A0A061IGG1_CRIGR Loading...

E3 ubiquitin-protein ligase

AlphaFold DB , UniProt , Accession A0A061IGG1, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene Trim36, Length 729 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
1M33.4Very low37Very low239 Ų239129.5 Ų129.5100%1.17773%0.728SS**  01110-68-177.875.500108.9
2S29.5Very low38.1Very low117 Ų117130.4 Ų130.482%0.81871%0.714SS**  trans167.941.8155.742.20000112.2S4S2-S4 PolarHBondContact O-N 2.93Å
3E27.9Very low39.1Very low207 Ų207126.8 Ų126.897%0.96769%0.692SS**  trans-95.176.8168.1-72.1-179148.300109.1
4S31.5Very low39.7Very low117 Ų117124.7 Ų124.782%0.81868%0.677SS**  trans-156.233.3-178.268.10000113.4S2S2-S4 PolarHBondContact O-N 2.93Å
5G29.9Very low40.3Very low56 Ų56122.4 Ų122.458%0.57766%0.66SS**SBendtrans-111.2-29.9-174.100000116.3S8G5-S8 PolarHBondContact O-OG 3.15Å
6E36.5Very low40.9Very low188 Ų188118.1 Ų118.188%0.87964%0.636SS**THydrogen-bonded Turntrans-88.1-8.3-166.3-62.4-167.9152.900115.3S8E6-S8 VanDerWaalsContact C-N 3.33Å; E6-S8 PolarHBondContact O-N 3.15Å
7M35.4Very low41.4Very low186 Ų186114.1 Ų114.192%0.91661%0.614SS**THydrogen-bonded Turntrans-79.6-3.1-179.9-79-150.1-70.500115.3
8S45.4Very low41.6Very low84 Ų84112.6 Ų112.659%0.58762%0.62SS**THydrogen-bonded Turntrans-89.2-46.2-174.958.10000114.6G5 E6 F10 G11 Y12G5-S8 PolarHBondContact O-OG 3.15Å; E6-S8 VanDerWaalsContact C-N 3.33Å; E6-S8 PolarHBondContact O-N 3.15Å; S8-F10 PolarHBondContact O-N 3.33Å; S8-G11 PolarHBondContact O-N 3.49Å; S8-Y12 PolarHBondContact O-N 2.77Å
9E48.9Very low41.8Very low114 Ų114113.3 Ų113.353%0.53362%0.616SS.*Hα-helixtrans-71.4-30.1-173.2-75.5-172.8156.600113.7G11 Y12 I13 K257E9-G11 VanDerWaalsContact C-N 3.32Å; E9-Y12 WeakPolarHBondContact O-CB 3.46Å; E9-Y12 PolarHBondContact O-N 2.91Å; E9-I13 PolarHBondContact O-N 2.85Å; E9-K257 IonicContact OE1-NZ 2.67Å; E9-K257 PolarHBondContact OE1-NZ 3.32Å; E9-K257 IonicContact OE2-NZ 3.62Å; E9-K257 PolarHBondContact OE2-NZ 3.03Å
10F45.5Very low42Very low77 Ų77110.5 Ų110.534%0.33862%0.615SS.*Hα-helixtrans-75.2-26174.7-148.9-107000112.4S8 Y12 I13 M14 R144S8-F10 PolarHBondContact O-N 3.33Å; F10-Y12 VanDerWaalsContact C-N 3.32Å; F10-I13 HydrophobicContact CD2-CD1 4.13Å; F10-I13 HydrophobicContact CE2-CD1 4.22Å; F10-I13 PolarHBondContact O-N 3.4Å; F10-M14 HydrophobicContact CD1-CG 4.36Å; F10-M14 HydrophobicContact CE1-CG 4.36Å; F10-M14 WeakPolarHBondContact O-CG 3.39Å; F10-M14 PolarHBondContact O-N 2.82Å; F10-M14 VanDerWaalsContact O-N 3.12Å; F10-R144 VanDerWaalsContact CE2-CZ 3.4Å; F10-R144 VanDerWaalsContact CZ-NH1 3.26Å
11G42.8Very low42.5Very low39 Ų39111.6 Ų111.640%0.40261%0.613SS.*Hα-helixtrans-59.8-41.9167.500000111.7S8 E9 I13 M14 E15S8-G11 PolarHBondContact O-N 3.49Å; E9-G11 VanDerWaalsContact C-N 3.32Å; G11-I13 PolarHBondContact O-N 3.06Å; G11-M14 CarbonylContact O-C 3.23Å; G11-M14 PolarHBondContact O-N 3.06Å; G11-E15 VanDerWaalsContact O-CB 3.3Å; G11-E15 WeakPolarHBondContact O-CB 3.31Å; G11-E15 PolarHBondContact O-N 3.07Å
12Y50.6Low43.4Very low141 Ų141103.5 Ų103.555%0.55358%0.577SS**Hα-helixtrans-63.2-40177.9-173.8-107.5000113.3S8 E9 F10 E15 L16S8-Y12 PolarHBondContact O-N 2.77Å; E9-Y12 WeakPolarHBondContact O-CB 3.46Å; E9-Y12 PolarHBondContact O-N 2.91Å; F10-Y12 VanDerWaalsContact C-N 3.32Å; Y12-E15 PolarHBondContact O-N 2.76Å; Y12-L16 HydrophobicContact CD1-CD1 3.98Å; Y12-L16 HydrophobicContact CE1-CD1 3.65Å; Y12-L16 HydrophobicContact CE1-CG 4.33Å; Y12-L16 WeakPolarHBondContact O-CG 3.39Å; Y12-L16 PolarHBondContact O-N 3.39Å
13I50.6Low44.7Very low83 Ų83101.4 Ų101.443%0.42656%0.56SS.*Hα-helixtrans-66.4-42.9175.2-64.9172.4000110.9E9 F10 G11 E15 L16 L17E9-I13 PolarHBondContact O-N 2.85Å; F10-I13 HydrophobicContact CD2-CD1 4.13Å; F10-I13 HydrophobicContact CE2-CD1 4.22Å; F10-I13 PolarHBondContact O-N 3.4Å; G11-I13 PolarHBondContact O-N 3.06Å; I13-E15 VanDerWaalsContact C-N 3.29Å; I13-E15 PolarHBondContact O-N 3.16Å; I13-L16 PolarHBondContact O-N 3.27Å; I13-L17 HydrophobicContact CG2-CD1 4.48Å; I13-L17 WeakPolarHBondContact O-CG 3.47Å; I13-L17 PolarHBondContact O-N 3.38Å
14M47.6Very low46.1Very low98 Ų9896.5 Ų96.548%0.48354%0.539SS..Hα-helixtrans-64.9-33.7174-69.6-67.1-65.500112.2F10 G11 L17 A18F10-M14 HydrophobicContact CD1-CG 4.36Å; F10-M14 HydrophobicContact CE1-CG 4.36Å; F10-M14 WeakPolarHBondContact O-CG 3.39Å; F10-M14 PolarHBondContact O-N 2.82Å; F10-M14 VanDerWaalsContact O-N 3.12Å; G11-M14 CarbonylContact O-C 3.23Å; G11-M14 PolarHBondContact O-N 3.06Å; M14-L17 PolarHBondContact O-N 2.8Å; M14-L17 HydrophobicContact SD-CD1 4.23Å; M14-A18 WeakPolarHBondContact O-CB 3.37Å; M14-A18 PolarHBondContact O-N 3.11Å
15E48.8Very low47.4Very low90 Ų9098.4 Ų98.442%0.42153%0.532SS..Hα-helixtrans-71.3-33.5175.7-159.4-170.8175.400112G11 Y12 I13 A18 K19G11-E15 VanDerWaalsContact O-CB 3.3Å; G11-E15 WeakPolarHBondContact O-CB 3.31Å; G11-E15 PolarHBondContact O-N 3.07Å; Y12-E15 PolarHBondContact O-N 2.76Å; I13-E15 VanDerWaalsContact C-N 3.29Å; I13-E15 PolarHBondContact O-N 3.16Å; E15-A18 PolarHBondContact O-N 2.76Å; E15-K19 HydrophobicContact CG-CD 4.24Å; E15-K19 VanDerWaalsContact O-CB 3.26Å; E15-K19 WeakPolarHBondContact O-CB 3.47Å; E15-K19 WeakPolarHBondContact O-CG 3.43Å; E15-K19 PolarHBondContact O-N 2.89Å; E15-K19 WeakPolarHBondContact OE1-CE 3.48Å; E15-K19 IonicContact OE1-NZ 3.15Å; E15-K19 PolarHBondContact OE1-NZ 3.5Å; E15-K19 IonicContact OE2-NZ 3.79Å
16L50.4Low49.1Very low53 Ų53100.4 Ų100.428%0.27753%0.53SS..Hα-helixtrans-69.4-36.8172-75.1173000112.7Y12 I13 G20 K21Y12-L16 HydrophobicContact CD1-CD1 3.98Å; Y12-L16 HydrophobicContact CE1-CD1 3.65Å; Y12-L16 HydrophobicContact CE1-CG 4.33Å; Y12-L16 WeakPolarHBondContact O-CG 3.39Å; Y12-L16 PolarHBondContact O-N 3.39Å; I13-L16 PolarHBondContact O-N 3.27Å; L16-G20 PolarHBondContact O-N 2.8Å; L16-K21 HydrophobicContact CD2-CD 4.36Å; L16-K21 PolarHBondContact O-N 3.49Å
17L49Very low51Low50 Ų5094.3 Ų94.326%0.26250%0.502SS..Hα-helixtrans-66.1-42.7170.3-69.2168.2000111I13 M14 K19 G20 V22I13-L17 HydrophobicContact CG2-CD1 4.48Å; I13-L17 WeakPolarHBondContact O-CG 3.47Å; I13-L17 PolarHBondContact O-N 3.38Å; M14-L17 PolarHBondContact O-N 2.8Å; M14-L17 HydrophobicContact SD-CD1 4.23Å; L17-K19 PolarHBondContact O-N 3.24Å; L17-G20 PolarHBondContact O-N 3.28Å; L17-G20 VanDerWaalsContact O-N 3.16Å; L17-V22 HydrophobicContact CD2-CB 4.34Å; L17-V22 WeakPolarHBondContact CD2-O 3.15Å
18A44.8Very low53Low88 Ų8889 Ų8973%0.72748%0.475SS*.Hα-helixtrans-68-30.8176.300000113.4M14 E15 G20M14-A18 WeakPolarHBondContact O-CB 3.37Å; M14-A18 PolarHBondContact O-N 3.11Å; E15-A18 PolarHBondContact O-N 2.76Å; A18-G20 PolarHBondContact O-N 2.99Å
19K46.2Very low54.8Low125 Ų12592.5 Ų92.554%0.54348%0.48SS..THydrogen-bonded Turntrans-795.8172.5-73.6169-177.4167.40113.5E15 L17 K21E15-K19 HydrophobicContact CG-CD 4.24Å; E15-K19 VanDerWaalsContact O-CB 3.26Å; E15-K19 WeakPolarHBondContact O-CB 3.47Å; E15-K19 WeakPolarHBondContact O-CG 3.43Å; E15-K19 PolarHBondContact O-N 2.89Å; E15-K19 WeakPolarHBondContact OE1-CE 3.48Å; E15-K19 IonicContact OE1-NZ 3.15Å; E15-K19 PolarHBondContact OE1-NZ 3.5Å; E15-K19 IonicContact OE2-NZ 3.79Å; L17-K19 PolarHBondContact O-N 3.24Å; K19-K21 VanDerWaalsContact C-N 3.28Å; K19-K21 PolarHBondContact O-N 3.46Å
20G45Very low56.4Low57 Ų5793.9 Ų93.959%0.58849%0.487SS*.THydrogen-bonded Turntrans70.612168.900000116.2L16 L17 A18L16-G20 PolarHBondContact O-N 2.8Å; L17-G20 PolarHBondContact O-N 3.28Å; L17-G20 VanDerWaalsContact O-N 3.16Å; A18-G20 PolarHBondContact O-N 2.99Å
21K51.7Low58.4Low135 Ų13590.5 Ų90.559%0.58747%0.472SS*.SBendtrans-75.5-25.6-179-72.7-168.7173.2-170.40113.7L16 K19L16-K21 HydrophobicContact CD2-CD 4.36Å; L16-K21 PolarHBondContact O-N 3.49Å; K19-K21 VanDerWaalsContact C-N 3.28Å; K19-K21 PolarHBondContact O-N 3.46Å
22V54.1Low60.6Low69 Ų6991.4 Ų91.442%0.41847%0.467SS..SBendtrans-134129.7172.9-178.70000107.7L17 N26L17-V22 HydrophobicContact CD2-CB 4.34Å; L17-V22 WeakPolarHBondContact CD2-O 3.15Å; V22-N26 HydrophobicContact CG1-CB 4.25Å
23T55.7Low62.5Low73 Ų7384.7 Ų84.745%0.44844%0.441SS..  trans-81.8148.3177.169.90000110.8K25 N26T23-K25 PolarHBondContact O-N 2.83Å; T23-K25 VanDerWaalsContact O-N 3.12Å; T23-N26 PolarHBondContact O-N 3.35Å; T23-N26 VanDerWaalsContact OG1-CG 3.24Å; T23-N26 PolarHBondContact OG1-N 3.08Å; T23-N26 PolarHBondContact OG1-OD1 3.41Å
24I58.5Low64.2Low103 Ų10382 Ų8253%0.52843%0.429SS..Hα-helixtrans-57.9-26.4175.5-62.9174.8000111.5I27 E28 Y145I24-I27 WeakPolarHBondContact O-CG2 3.44Å; I24-E28 PolarHBondContact O-N 3.16Å; I24-Y145 HydrophobicContact CG2-CE2 3.68Å
25K57.5Low66.2Low158 Ų15879.2 Ų79.269%0.68742%0.421SS*.Hα-helixtrans-74.3-23.6174.8-65.8-175.4175.5-176.10114.3T23T23-K25 PolarHBondContact O-N 2.83Å; T23-K25 VanDerWaalsContact O-N 3.12Å
26N67Low68Low97 Ų9777.4 Ų77.452%0.51942%0.418SS..Hα-helixtrans-78-39.3177.7-72.60.5000111.1V22 T23 E28V22-N26 HydrophobicContact CG1-CB 4.25Å; T23-N26 PolarHBondContact O-N 3.35Å; T23-N26 VanDerWaalsContact OG1-CG 3.24Å; T23-N26 PolarHBondContact OG1-N 3.08Å; T23-N26 PolarHBondContact OG1-OD1 3.41Å; N26-E28 VanDerWaalsContact C-N 3.31Å; N26-E28 PolarHBondContact O-N 3.27Å
27I75.1Confident69.9Low60 Ų6081.9 Ų81.931%0.30844%0.435SS..Hα-helixtrans-71-27.6176.8-159.3171.4000112.2I24 K29 E30 L31 Y145I24-I27 WeakPolarHBondContact O-CG2 3.44Å; I27-K29 PolarHBondContact O-N 3.33Å; I27-E30 PolarHBondContact O-N 2.88Å; I27-E30 VanDerWaalsContact O-N 3.08Å; I27-L31 HydrophobicContact CG1-CD1 4.45Å; I27-L31 WeakPolarHBondContact O-CG 3.33Å; I27-L31 PolarHBondContact O-N 2.99Å; I27-Y145 HydrophobicContact CG2-CD2 4.17Å; I27-Y145 HydrophobicContact CG2-CE2 4Å
28E78.8Confident71.7Confident75 Ų7585.8 Ų85.835%0.3545%0.452SS..Hα-helixtrans-53.4-38.1177.8-173.7158.7-120.500113.4I24 N26 E30 L31 I32 Y145I24-E28 PolarHBondContact O-N 3.16Å; N26-E28 VanDerWaalsContact C-N 3.31Å; N26-E28 PolarHBondContact O-N 3.27Å; E28-E30 VanDerWaalsContact C-N 3.31Å; E28-E30 PolarHBondContact O-N 2.61Å; E28-L31 PolarHBondContact O-N 3.34Å; E28-L31 VanDerWaalsContact O-N 3.09Å; E28-I32 HydrophobicContact CG-CD1 4.14Å; E28-I32 WeakPolarHBondContact O-CG1 3.42Å; E28-I32 PolarHBondContact O-N 3.48Å; E28-Y145 HydrophobicContact CB-CE2 4.49Å; E28-Y145 WeakPolarHBondContact CB-OH 3.49Å; E28-Y145 HydrophobicContact CG-CE1 4.44Å; E28-Y145 WeakPolarHBondContact CG-OH 3.33Å; E28-Y145 PolarHBondContact OE1-OH 3.01Å
29K81.4Confident73.6Confident157 Ų15783.2 Ų83.268%0.68343%0.426SS*.Hα-helixtrans-61.2-38178.5-65.6-175.3178.4-177.60112.9I27 L31I27-K29 PolarHBondContact O-N 3.33Å; K29-L31 PolarHBondContact O-N 2.82Å
30E84.3Confident75.4Confident144 Ų14477.7 Ų77.767%0.67340%0.402SS*.Hα-helixtrans-75.6-11.1178.7-56-55.713900112.9I27 E28I27-E30 PolarHBondContact O-N 2.88Å; I27-E30 VanDerWaalsContact O-N 3.08Å; E28-E30 VanDerWaalsContact C-N 3.31Å; E28-E30 PolarHBondContact O-N 2.61Å
31L87.1Confident77.1Confident6 Ų678.3 Ų78.33%0.03139%0.394CS..THydrogen-bonded Turntrans-104.1-0.5-177-61.2-177.6000113.3I27 E28 K29 L39 F40 L138 I141 V142 Y145I27-L31 HydrophobicContact CG1-CD1 4.45Å; I27-L31 WeakPolarHBondContact O-CG 3.33Å; I27-L31 PolarHBondContact O-N 2.99Å; E28-L31 PolarHBondContact O-N 3.34Å; E28-L31 VanDerWaalsContact O-N 3.09Å; K29-L31 PolarHBondContact O-N 2.82Å; L31-L39 HydrophobicContact CB-CD2 3.83Å; L31-L39 WeakPolarHBondContact O-CA 3.5Å; L31-F40 WeakPolarHBondContact O-CD2 3.37Å; L31-F40 PolarHBondContact O-N 3.26Å; L31-F40 VanDerWaalsContact O-N 3.14Å; L31-L138 HydrophobicContact CD2-CD1 3.85Å; L31-I141 HydrophobicContact CD1-CG2 4.43Å; L31-I141 HydrophobicContact CD2-CB 4.46Å; L31-I141 HydrophobicContact CD2-CG2 3.64Å; L31-V142 HydrophobicContact CB-CG2 4.04Å; L31-V142 HydrophobicContact CD2-CG2 3.79Å; L31-V142 HydrophobicContact CG-CG2 4.35Å; L31-Y145 HydrophobicContact CD1-CD1 3.99Å; L31-Y145 HydrophobicContact CD1-CD2 3.58Å; L31-Y145 HydrophobicContact CD1-CE2 4.27Å; L31-Y145 HydrophobicContact CD1-CG 3.43Å; L31-Y145 VanDerWaalsContact CD1-CG 3.43Å
32I88.5Confident78.5Confident57 Ų5776.1 Ų76.129%0.29239%0.386SS..BIsolated β-bridgetrans-96.1133.3-179.9-72.5164.2000110.8E28 K37 L39 F40E28-I32 HydrophobicContact CG-CD1 4.14Å; E28-I32 WeakPolarHBondContact O-CG1 3.42Å; E28-I32 PolarHBondContact O-N 3.48Å; I32-K37 WeakPolarHBondContact CG2-O 3.24Å; I32-L39 HydrophobicContact CG1-CD2 4.48Å; I32-F40 WeakPolarHBondContact O-CE2 3.43Å; I32-F40 WeakPolarHBondContact O-CZ 3.26Å
33C89.8Confident80.1Confident0 Ų072.9 Ų72.90%037%0.366CS..  trans-70.1126.7173.7179.20000111A35 C36 K37 E38 F40 C53C33-A35 PolarHBondContact O-N 3.03Å; C33-A35 VanDerWaalsContact O-N 3.17Å; C33-C36 VanDerWaalsContact CB-SG 3.54Å; C33-K37 VanDerWaalsContact O-CA 3.29Å; C33-K37 WeakPolarHBondContact O-CA 3.35Å; C33-K37 PolarHBondContact O-N 3.08Å; C33-E38 WeakPolarHBondContact CB-O 3.48Å; C33-E38 PolarHBondContact N-O 3.35Å; C33-F40 VanDerWaalsContact CA-CE1 3.49Å; C33-F40 HydrophobicContact CB-CD1 3.78Å; C33-F40 HydrophobicContact CB-CE1 3.72Å; C33-F40 HydrophobicContact CB-CG 4.42Å; C33-F40 HydrophobicContact CB-CZ 4.31Å; C33-C53 VanDerWaalsContact CB-SG 3.56Å
34P87.9Confident81.7Confident28 Ų2869.6 Ų69.618%0.18235%0.346CS..THydrogen-bonded Turntrans-65.1-23.4-177.725.7-34.5000113.1K37 V52 P116P34-K37 VanDerWaalsContact O-CE 3.32Å; P34-K37 WeakPolarHBondContact O-CE 3.49Å; P34-K37 PolarHBondContact O-NZ 3.39Å; P34-V52 HydrophobicContact CG-CG2 4.31Å; P34-P116 HydrophobicContact CB-CB 4.3Å; P34-P116 HydrophobicContact CG-CB 4.47Å
35A88Confident83.1Confident38 Ų3867.4 Ų67.431%0.31434%0.335SS..THydrogen-bonded Turntrans-80.8-56.5179.100000113.2C33 V52 C56 P116C33-A35 PolarHBondContact O-N 3.03Å; C33-A35 VanDerWaalsContact O-N 3.17Å; A35-V52 HydrophobicContact CB-CG1 4.16Å; A35-C56 HydrophobicContact CB-CB 3.74Å; A35-P116 HydrophobicContact CB-CB 4.42Å; A35-P116 HydrophobicContact CB-CG 4.23Å
36C88.2Confident84.5Confident53 Ų5360.1 Ų60.136%0.35830%0.303SS..THydrogen-bonded Turntrans-95.3-2.9-175.662.20000115C33 E38 C56C33-C36 VanDerWaalsContact CB-SG 3.54Å; C36-E38 PolarHBondContact O-N 3.28Å; C36-C56 VanDerWaalsContact CB-SG 3.57Å; C36-C56 VanDerWaalsContact SG-SG 3.61Å
37K88.5Confident85.3Confident146 Ų14659.5 Ų59.564%0.63531%0.305SS*.SBendtrans56.313.7-177.3-49.7-53.8-172-1670115.6I32 C33 P34I32-K37 WeakPolarHBondContact CG2-O 3.24Å; C33-K37 VanDerWaalsContact O-CA 3.29Å; C33-K37 WeakPolarHBondContact O-CA 3.35Å; C33-K37 PolarHBondContact O-N 3.08Å; P34-K37 VanDerWaalsContact O-CE 3.32Å; P34-K37 WeakPolarHBondContact O-CE 3.49Å; P34-K37 PolarHBondContact O-NZ 3.39Å
38E87.4Confident85.8Confident133 Ų13358 Ų5862%0.62130%0.299SS*.SBendtrans-104.5162.1175.3-72.6-66.7162.700111.7C33 C36 F40C33-E38 WeakPolarHBondContact CB-O 3.48Å; C33-E38 PolarHBondContact N-O 3.35Å; C36-E38 PolarHBondContact O-N 3.28Å; E38-F40 PolarHBondContact O-N 3.02Å
39L84.2Confident86.1Confident34 Ų3462 Ų6218%0.17832%0.318CS..BIsolated β-bridgetrans-55.9136.5173.2-71.3177000111.8L31 I32 T41 V142 Y145 R146L31-L39 HydrophobicContact CB-CD2 3.83Å; L31-L39 WeakPolarHBondContact O-CA 3.5Å; I32-L39 HydrophobicContact CG1-CD2 4.48Å; L39-T41 PolarHBondContact O-N 2.93Å; L39-V142 HydrophobicContact CB-CG1 3.96Å; L39-Y145 HydrophobicContact CD1-CD1 4.08Å; L39-Y145 HydrophobicContact CD1-CE1 4.23Å; L39-Y145 HydrophobicContact CD2-CD1 4.08Å; L39-Y145 HydrophobicContact CD2-CE1 4.1Å; L39-R146 HydrophobicContact CD1-CG 4.04Å
40F83.9Confident86.5Confident9 Ų958 Ų584%0.03930%0.301CS..  trans-53.1135.9-173.5-72-80.1000114.4L31 I32 C33 E38 P43 S51 L138 V142 R146L31-F40 WeakPolarHBondContact O-CD2 3.37Å; L31-F40 PolarHBondContact O-N 3.26Å; L31-F40 VanDerWaalsContact O-N 3.14Å; I32-F40 WeakPolarHBondContact O-CE2 3.43Å; I32-F40 WeakPolarHBondContact O-CZ 3.26Å; C33-F40 VanDerWaalsContact CA-CE1 3.49Å; C33-F40 HydrophobicContact CB-CD1 3.78Å; C33-F40 HydrophobicContact CB-CE1 3.72Å; C33-F40 HydrophobicContact CB-CG 4.42Å; C33-F40 HydrophobicContact CB-CZ 4.31Å; E38-F40 PolarHBondContact O-N 3.02Å; F40-P43 HydrophobicContact CB-CB 4.15Å; F40-P43 HydrophobicContact CB-CG 4.25Å; F40-P43 HydrophobicContact CD1-CB 3.9Å; F40-P43 HydrophobicContact CG-CB 4.21Å; F40-S51 VanDerWaalsContact CE1-O 3.23Å; F40-S51 WeakPolarHBondContact CE1-O 3.45Å; F40-L138 HydrophobicContact CD1-CD2 4.33Å; F40-L138 HydrophobicContact CD2-CD1 4.05Å; F40-L138 HydrophobicContact CD2-CD2 3.65Å; F40-L138 HydrophobicContact CD2-CG 3.95Å; F40-L138 HydrophobicContact CE1-CD2 4.41Å; F40-L138 HydrophobicContact CE2-CD1 4.36Å; F40-L138 HydrophobicContact CE2-CD2 3.76Å; F40-L138 HydrophobicContact CE2-CG 4.43Å; F40-L138 HydrophobicContact CG-CD2 3.96Å; F40-L138 HydrophobicContact CG-CG 4.34Å; F40-L138 HydrophobicContact CZ-CD2 4.14Å; F40-V142 HydrophobicContact CB-CG2 4.21Å; F40-V142 HydrophobicContact CD2-CG2 4.42Å; F40-R146 PolarHBondContact O-NH2 2.84Å
41T81.1Confident86.7Confident69 Ų6952.1 Ų52.142%0.42328%0.276SS..SBendtrans-127.2119.1172.3500000108.9L39 C53L39-T41 PolarHBondContact O-N 2.93Å; T41-C53 PolarHBondContact N-SG 3.15Å; T41-C53 WeakPolarHBondContact O-CB 3.22Å
42H81.8Confident86.9Confident89 Ų8951.8 Ų51.841%0.41227%0.274SS..SBendtrans4659.7-173.2-52.5107.6000113.4H54 E139H42-H54 HydrophobicContact CB-CB 4.16Å; H42-H54 VanDerWaalsContact O-CB 3.31Å; H42-H54 WeakPolarHBondContact O-CB 3.47Å; H42-H54 PolarHBondContact O-N 3.04Å; H42-E139 WeakPolarHBondContact CA-OE1 3.49Å; H42-E139 IonicContact CD2-OE1 3.08Å; H42-E139 PolarHBondContact CD2-OE1 2.85Å; H42-E139 VanDerWaalsContact CD2-OE1 3.31Å; H42-E139 IonicContact CG-OE1 3.74Å; H42-E139 PolarHBondContact N-OE1 2.89Å
43P88.4Confident87Confident1 Ų149.1 Ų49.11%0.00626%0.26CS..EExtended strand (participates in β ladder)trans-63.5138-177.426.3-34.5000112.6F40 R134 N135 L138 E139F40-P43 HydrophobicContact CB-CB 4.15Å; F40-P43 HydrophobicContact CB-CG 4.25Å; F40-P43 HydrophobicContact CD1-CB 3.9Å; F40-P43 HydrophobicContact CG-CB 4.21Å; P43-R134 WeakPolarHBondContact O-CA 3.23Å; P43-N135 HydrophobicContact CB-CB 4.1Å; P43-N135 HydrophobicContact CG-CB 3.97Å; P43-N135 WeakPolarHBondContact CG-O 3.4Å; P43-N135 PolarHBondContact O-N 2.82Å; P43-L138 HydrophobicContact CB-CD2 3.97Å; P43-L138 HydrophobicContact CG-CB 4.26Å; P43-L138 HydrophobicContact CG-CD2 4.21Å; P43-L138 HydrophobicContact CG-CG 4.26Å; P43-E139 HydrophobicContact CG-CB 4.15Å
44L87.9Confident86.8Confident4 Ų452.1 Ų52.12%0.02127%0.274CS..EExtended strand (participates in β ladder)trans-110.2140.9171.5-57.3179.8000109.9S51 V52 H54 V57 V129 L132 F133 R134L44-S51 CarbonylContact O-C 3.53Å; L44-S51 VanDerWaalsContact O-CA 3.25Å; L44-S51 WeakPolarHBondContact O-CA 3.44Å; L44-V52 PolarHBondContact N-O 2.92Å; L44-V52 PolarHBondContact O-N 2.77Å; L44-H54 HydrophobicContact CD1-CB 3.89Å; L44-H54 HydrophobicContact CD2-CB 4.32Å; L44-H54 HydrophobicContact CG-CB 3.92Å; L44-V57 HydrophobicContact CD1-CB 4.46Å; L44-V57 HydrophobicContact CD1-CG2 4.27Å; L44-V129 HydrophobicContact CD1-CG1 3.43Å; L44-V129 VanDerWaalsContact CD1-CG1 3.43Å; L44-L132 HydrophobicContact CB-CB 4.23Å; L44-L132 HydrophobicContact CB-CD1 4.16Å; L44-L132 HydrophobicContact CD1-CB 4.36Å; L44-L132 HydrophobicContact CD1-CD1 3.89Å; L44-F133 CarbonylContact C-O 3.59Å; L44-F133 WeakPolarHBondContact CA-O 3.12Å; L44-R134 HydrophobicContact CD2-CG 3.83Å
45I88.8Confident86.7Confident57 Ų5757.2 Ų57.229%0.29229%0.294SS..EExtended strand (participates in β ladder)trans-89.5120.6174.9-50.9178.8000108.5F133 N135I45-F133 HydrophobicContact CB-CB 4.49Å; I45-F133 HydrophobicContact CD1-CB 4.44Å; I45-F133 PolarHBondContact N-O 3.02Å; I45-N135 HydrophobicContact CD1-CB 4.06Å; I45-N135 HydrophobicContact CG1-CB 3.72Å
46L87.6Confident86.7Confident5 Ų555.8 Ų55.83%0.02628%0.281CS..  trans-80.6161.4175.8-57.4-175.9000111.3C48 Q49 H50 V52 V57 F113 C115 V122 L132L46-C48 PolarHBondContact O-N 3.29Å; L46-Q49 WeakPolarHBondContact O-CA 3.05Å; L46-Q49 PolarHBondContact O-N 3.17Å; L46-H50 WeakPolarHBondContact CB-O 3.43Å; L46-H50 PolarHBondContact N-O 3.38Å; L46-V52 HydrophobicContact CD1-CB 4.5Å; L46-V52 HydrophobicContact CD1-CG2 3.77Å; L46-V52 HydrophobicContact CG-CG2 4.41Å; L46-V57 HydrophobicContact CD2-CG2 4.38Å; L46-F113 HydrophobicContact CD1-CE2 4.2Å; L46-F113 HydrophobicContact CD1-CZ 3.95Å; L46-F113 HydrophobicContact CD2-CZ 3.88Å; L46-C115 HydrophobicContact CD1-CB 4.43Å; L46-V122 HydrophobicContact CB-CG1 4.49Å; L46-V122 HydrophobicContact CB-CG2 4.3Å; L46-V122 HydrophobicContact CD1-CG2 4.32Å; L46-V122 HydrophobicContact CD2-CG1 4.43Å; L46-L132 HydrophobicContact CD2-CD1 3.81Å; L46-L132 HydrophobicContact CD2-CD2 4.48Å
47P82.8Confident86.6Confident85 Ų8553.2 Ų53.255%0.55226%0.264SS*.THydrogen-bonded Turntrans-54.7-32.5173.7-26.636.1000114Q49 V122P47-Q49 PolarHBondContact O-N 3.25Å; P47-V122 VanDerWaalsContact CD-CG1 3.5Å; P47-V122 HydrophobicContact CG-CG1 4.04Å
48C85.5Confident86.3Confident27 Ų2751.2 Ų51.218%0.18226%0.255CS..THydrogen-bonded Turntrans-76.815.8172.464.30000114.1L46 H50 C115 V122L46-C48 PolarHBondContact O-N 3.29Å; C48-H50 PolarHBondContact O-N 2.74Å; C48-H50 PolarHBondContact O-ND1 2.79Å; C48-C115 PolarHBondContact SG-SG 3.28Å; C48-V122 HydrophobicContact CB-CG2 4.32Å
49Q85.8Confident86.1Confident161 Ų16149.2 Ų49.275%0.75225%0.246SC*.SBendtrans64.7-7.2178.6-55.5178.336.100116.6L46 P47L46-Q49 WeakPolarHBondContact O-CA 3.05Å; L46-Q49 PolarHBondContact O-N 3.17Å; P47-Q49 PolarHBondContact O-N 3.25Å
50H88.4Confident86.1Confident73 Ų7349.9 Ų49.934%0.33825%0.249SC..  trans-70.4150.5173.9-69.876.1000111.9L46 C48 C118L46-H50 WeakPolarHBondContact CB-O 3.43Å; L46-H50 PolarHBondContact N-O 3.38Å; C48-H50 PolarHBondContact O-N 2.74Å; C48-H50 PolarHBondContact O-ND1 2.79Å; H50-C118 VanDerWaalsContact CE1-CB 3.48Å; H50-C118 WeakPolarHBondContact CE1-CB 3.3Å
51S89.9Confident85.9Confident19 Ų1950.8 Ų50.813%0.13326%0.255CS..EExtended strand (participates in β ladder)trans-101.7138.8174.9-66.60000111.6F40 L44 N135F40-S51 VanDerWaalsContact CE1-O 3.23Å; F40-S51 WeakPolarHBondContact CE1-O 3.45Å; L44-S51 CarbonylContact O-C 3.53Å; L44-S51 VanDerWaalsContact O-CA 3.25Å; L44-S51 WeakPolarHBondContact O-CA 3.44Å; S51-N135 PolarHBondContact OG-ND2 2.71Å
52V90.4Very high85.5Confident0 Ų053.5 Ų53.50%026%0.264CS..EExtended strand (participates in β ladder)trans-139.5142.5175.5-179.70000109.4P34 A35 L44 L46 H54 C56 V57P34-V52 HydrophobicContact CG-CG2 4.31Å; A35-V52 HydrophobicContact CB-CG1 4.16Å; L44-V52 PolarHBondContact N-O 2.92Å; L44-V52 PolarHBondContact O-N 2.77Å; L46-V52 HydrophobicContact CD1-CB 4.5Å; L46-V52 HydrophobicContact CD1-CG2 3.77Å; L46-V52 HydrophobicContact CG-CG2 4.41Å; V52-H54 PolarHBondContact O-N 2.93Å; V52-C56 HydrophobicContact CG1-CB 3.8Å; V52-V57 HydrophobicContact CB-CG2 3.81Å; V52-V57 HydrophobicContact CG1-CG2 3.67Å
53C90.1Very high84.7Confident0 Ų052.2 Ų52.20%027%0.265CS..EExtended strand (participates in β ladder)trans-58.3137.1177-61.50000111.6C33 T41 K55 C56 V57C33-C53 VanDerWaalsContact CB-SG 3.56Å; T41-C53 PolarHBondContact N-SG 3.15Å; T41-C53 WeakPolarHBondContact O-CB 3.22Å; C53-K55 PolarHBondContact O-N 3.34Å; C53-K55 VanDerWaalsContact O-N 3.1Å; C53-C56 HydrophobicContact CB-CB 4.28Å; C53-C56 PolarHBondContact O-N 3.11Å; C53-V57 PolarHBondContact O-N 3.39Å
54H86.4Confident83.5Confident64 Ų6454.4 Ų54.430%0.29628%0.276SS..Hα-helixtrans-53.5-33.4178166.5-84.9000113.6H42 L44 V52 K58H42-H54 HydrophobicContact CB-CB 4.16Å; H42-H54 VanDerWaalsContact O-CB 3.31Å; H42-H54 WeakPolarHBondContact O-CB 3.47Å; H42-H54 PolarHBondContact O-N 3.04Å; L44-H54 HydrophobicContact CD1-CB 3.89Å; L44-H54 HydrophobicContact CD2-CB 4.32Å; L44-H54 HydrophobicContact CG-CB 3.92Å; V52-H54 PolarHBondContact O-N 2.93Å; H54-K58 VanDerWaalsContact CE1-CE 3.42Å; H54-K58 WeakPolarHBondContact CE1-CE 3.31Å; H54-K58 WeakPolarHBondContact NE2-CE 3.19Å; H54-K58 PolarHBondContact O-N 3.48Å
55K85.6Confident82.1Confident134 Ų13457.7 Ų57.758%0.58329%0.294SS*.Hα-helixtrans-64.3-50.2173.4-177.3-178.9161.4-178.70111.2C53 V57 K58 E59C53-K55 PolarHBondContact O-N 3.34Å; C53-K55 VanDerWaalsContact O-N 3.1Å; K55-V57 PolarHBondContact O-N 3.48Å; K55-K58 WeakPolarHBondContact O-CB 3.41Å; K55-K58 PolarHBondContact O-N 3.34Å; K55-K58 VanDerWaalsContact O-N 3.09Å; K55-E59 WeakPolarHBondContact CE-OE1 3.36Å; K55-E59 WeakPolarHBondContact CE-OE2 3.31Å; K55-E59 HydrophobicContact CG-CG 4.48Å; K55-E59 IonicContact NZ-OE1 3.85Å; K55-E59 PolarHBondContact NZ-OE1 2.73Å; K55-E59 PolarHBondContact O-N 2.88Å
56C88Confident80.3Confident8 Ų860.4 Ų60.45%0.05431%0.309CS..Hα-helixtrans-64.4-37.1-178.8-55.90000112.9A35 C36 V52 C53 K58 E59 L60A35-C56 HydrophobicContact CB-CB 3.74Å; C36-C56 VanDerWaalsContact CB-SG 3.57Å; C36-C56 VanDerWaalsContact SG-SG 3.61Å; V52-C56 HydrophobicContact CG1-CB 3.8Å; C53-C56 HydrophobicContact CB-CB 4.28Å; C53-C56 PolarHBondContact O-N 3.11Å; C56-K58 VanDerWaalsContact C-N 3.28Å; C56-K58 PolarHBondContact O-N 3.49Å; C56-E59 PolarHBondContact O-N 3.4Å; C56-L60 WeakPolarHBondContact O-CB 3.42Å; C56-L60 VanDerWaalsContact O-CG 3.24Å; C56-L60 WeakPolarHBondContact O-CG 3.48Å; C56-L60 PolarHBondContact O-N 2.94Å
57V85.2Confident78.6Confident0 Ų064.1 Ų64.10%034%0.336CS..Hα-helixtrans-61.1-39.1173.7-178.80000110.9L44 L46 V52 C53 K55 L61 F113 L124 V129 L132L44-V57 HydrophobicContact CD1-CB 4.46Å; L44-V57 HydrophobicContact CD1-CG2 4.27Å; L46-V57 HydrophobicContact CD2-CG2 4.38Å; V52-V57 HydrophobicContact CB-CG2 3.81Å; V52-V57 HydrophobicContact CG1-CG2 3.67Å; C53-V57 PolarHBondContact O-N 3.39Å; K55-V57 PolarHBondContact O-N 3.48Å; V57-L61 HydrophobicContact CG1-CD1 4.28Å; V57-L61 WeakPolarHBondContact O-CD1 3.31Å; V57-L61 VanDerWaalsContact O-CG 3.27Å; V57-L61 WeakPolarHBondContact O-CG 3.43Å; V57-L61 PolarHBondContact O-N 2.73Å; V57-F113 HydrophobicContact CG1-CE1 4.27Å; V57-F113 HydrophobicContact CG1-CZ 4.14Å; V57-L124 HydrophobicContact CG1-CD1 4.39Å; V57-V129 HydrophobicContact CG1-CG1 4.3Å; V57-V129 HydrophobicContact CG1-CG2 3.96Å; V57-L132 HydrophobicContact CG1-CD1 4.33Å
58K83.4Confident77.1Confident104 Ų10467.3 Ų67.345%0.45234%0.341SS..Hα-helixtrans-67.8-42.3174.7-72-173.5173.2-167.90112.7H54 K55 C56 L61 M62 V129H54-K58 VanDerWaalsContact CE1-CE 3.42Å; H54-K58 WeakPolarHBondContact CE1-CE 3.31Å; H54-K58 WeakPolarHBondContact NE2-CE 3.19Å; H54-K58 PolarHBondContact O-N 3.48Å; K55-K58 WeakPolarHBondContact O-CB 3.41Å; K55-K58 PolarHBondContact O-N 3.34Å; K55-K58 VanDerWaalsContact O-N 3.09Å; C56-K58 VanDerWaalsContact C-N 3.28Å; C56-K58 PolarHBondContact O-N 3.49Å; K58-L61 PolarHBondContact O-N 3.39Å; K58-M62 VanDerWaalsContact O-CG 3.31Å; K58-M62 WeakPolarHBondContact O-CG 3.36Å; K58-M62 PolarHBondContact O-N 2.81Å; K58-V129 HydrophobicContact CG-CG2 4.28Å
59E83.8Confident75Confident91 Ų9171.8 Ų71.843%0.42536%0.363SS..Hα-helixtrans-64.6-41.3178.9-71170.6145.800111.9K55 C56 M62 S63K55-E59 WeakPolarHBondContact CE-OE1 3.36Å; K55-E59 WeakPolarHBondContact CE-OE2 3.31Å; K55-E59 HydrophobicContact CG-CG 4.48Å; K55-E59 IonicContact NZ-OE1 3.85Å; K55-E59 PolarHBondContact NZ-OE1 2.73Å; K55-E59 PolarHBondContact O-N 2.88Å; C56-E59 PolarHBondContact O-N 3.4Å; E59-M62 PolarHBondContact O-N 2.81Å; E59-S63 PolarHBondContact O-N 3.34Å; E59-S63 PolarHBondContact O-OG 3.24Å
60L82.8Confident72.7Confident47 Ų4771.2 Ų71.225%0.24637%0.365CS..Hα-helixtrans-59.8-47.8174.7-70.9164.9000111.5C56 M62 S63 L64 F113 P116C56-L60 WeakPolarHBondContact O-CB 3.42Å; C56-L60 VanDerWaalsContact O-CG 3.24Å; C56-L60 WeakPolarHBondContact O-CG 3.48Å; C56-L60 PolarHBondContact O-N 2.94Å; L60-M62 VanDerWaalsContact C-N 3.29Å; L60-M62 PolarHBondContact O-N 2.83Å; L60-S63 PolarHBondContact O-N 3.46Å; L60-S63 PolarHBondContact O-OG 3.14Å; L60-L64 PolarHBondContact O-N 3.35Å; L60-F113 HydrophobicContact CB-CD2 4.31Å; L60-F113 HydrophobicContact CD1-CD2 4.03Å; L60-F113 HydrophobicContact CD1-CE2 3.95Å; L60-P116 HydrophobicContact CD1-CG 3.74Å
61L79.1Confident70.6Confident29 Ų2974.1 Ų74.115%0.15239%0.388CS..Hα-helixtrans-62.8-32.9176.6-67.5167.7000113.2V57 K58 F113 L124 V129V57-L61 HydrophobicContact CG1-CD1 4.28Å; V57-L61 WeakPolarHBondContact O-CD1 3.31Å; V57-L61 VanDerWaalsContact O-CG 3.27Å; V57-L61 WeakPolarHBondContact O-CG 3.43Å; V57-L61 PolarHBondContact O-N 2.73Å; K58-L61 PolarHBondContact O-N 3.39Å; L61-F113 HydrophobicContact CD2-CD1 4.02Å; L61-L124 HydrophobicContact CD1-CD1 3.66Å; L61-L124 HydrophobicContact CD2-CD1 4.01Å; L61-L124 HydrophobicContact CG-CD1 4.33Å; L61-V129 HydrophobicContact CD1-CG2 3.44Å; L61-V129 VanDerWaalsContact CD1-CG2 3.44Å
62M73.4Confident68.2Low125 Ų12577.3 Ų77.362%0.61642%0.415SS*.Hα-helixtrans-72.8-40.4176-71.7175.464.300112.1K58 E59 L60 L64 D65 D66K58-M62 VanDerWaalsContact O-CG 3.31Å; K58-M62 WeakPolarHBondContact O-CG 3.36Å; K58-M62 PolarHBondContact O-N 2.81Å; E59-M62 PolarHBondContact O-N 2.81Å; L60-M62 VanDerWaalsContact C-N 3.29Å; L60-M62 PolarHBondContact O-N 2.83Å; M62-L64 PolarHBondContact O-N 3.2Å; M62-D65 WeakPolarHBondContact O-CB 3.45Å; M62-D65 PolarHBondContact O-N 2.83Å; M62-D66 PolarHBondContact O-N 3.48Å
63S65.9Low65.6Low62 Ų6283.2 Ų83.243%0.43446%0.456SS..Hα-helixtrans-62.9-26.1177.864.60000114.1E59 L60 S67E59-S63 PolarHBondContact O-N 3.34Å; E59-S63 PolarHBondContact O-OG 3.24Å; L60-S63 PolarHBondContact O-N 3.46Å; L60-S63 PolarHBondContact O-OG 3.14Å; S63-S67 PolarHBondContact O-N 2.93Å; S63-S67 PolarHBondContact O-OG 3.33Å
64L62.5Low62.8Low47 Ų4789.8 Ų89.825%0.24649%0.492CS..Hα-helixtrans-73.5-37172.1-76.4155.7000112.1L60 M62 S67 F68 P110 M112 F113L60-L64 PolarHBondContact O-N 3.35Å; M62-L64 PolarHBondContact O-N 3.2Å; L64-S67 PolarHBondContact O-N 3.18Å; L64-F68 WeakPolarHBondContact O-CD2 3.12Å; L64-F68 PolarHBondContact O-N 2.78Å; L64-P110 HydrophobicContact CB-CG 4.34Å; L64-M112 WeakPolarHBondContact CD1-O 3.43Å; L64-F113 HydrophobicContact CD1-CB 3.55Å
65D58Low60.2Low74 Ų7493.3 Ų93.340%0.39651%0.513SS..Hα-helixtrans-67.7-38.8-179.9-138.317000111.2M62 F68 N69M62-D65 WeakPolarHBondContact O-CB 3.45Å; M62-D65 PolarHBondContact O-N 2.83Å; D65-F68 PolarHBondContact O-N 3.2Å; D65-N69 PolarHBondContact O-ND2 3.06Å
66D51.7Low57.8Low113 Ų11391.4 Ų91.460%0.60452%0.516SS*.Hα-helixtrans-65.7-39.3174.1-71.6-33.4000111.8M62 F68 N69M62-D66 PolarHBondContact O-N 3.48Å; D66-F68 PolarHBondContact O-N 2.97Å; D66-F68 VanDerWaalsContact O-N 3.17Å; D66-N69 PolarHBondContact O-N 3.5Å
67S52.6Low55.1Low84 Ų8498 Ų9859%0.58755%0.551SS**Hα-helixtrans-63.5-22.1-178.8-61.50000114.1S63 L64S63-S67 PolarHBondContact O-N 2.93Å; S63-S67 PolarHBondContact O-OG 3.33Å; L64-S67 PolarHBondContact O-N 3.18Å
68F50.1Low52.7Low151 Ų151106.6 Ų106.666%0.66259%0.591SS**THydrogen-bonded Turntrans-88.1-13.1175.6-77.4-69.7000114.2L64 D65 D66L64-F68 WeakPolarHBondContact O-CD2 3.12Å; L64-F68 PolarHBondContact O-N 2.78Å; D65-F68 PolarHBondContact O-N 3.2Å; D66-F68 PolarHBondContact O-N 2.97Å; D66-F68 VanDerWaalsContact O-N 3.17Å
69N41.2Very low50.1Low122 Ų122107 Ų10765%0.65261%0.607SS**THydrogen-bonded Turntrans-92.2-17.1-175.9-76.3-64.9000114.2D65 D66D65-N69 PolarHBondContact O-ND2 3.06Å; D66-N69 PolarHBondContact O-N 3.5Å
70D39.2Very low47.7Very low149 Ų149107.6 Ų107.680%0.79762%0.621SS**  trans-89.97.9-175-91.2-21.4000115.7A72D70-A72 PolarHBondContact O-N 2.89Å
71V44.3Very low45.6Very low134 Ų134111.7 Ų111.781%0.81265%0.651SS**  trans-86.449.3178.3-161.50000112.2
72A38.9Very low43.4Very low86 Ų86121 Ų12171%0.71168%0.684SS**  trans-158.954.3176.200000116.2D70D70-A72 PolarHBondContact O-N 2.89Å
73S34.4Very low41.5Very low123 Ų123122.1 Ų122.186%0.8669%0.691SS**  trans-161.3131.1149.9-91.30000115.9
74D32.8Very low39.9Very low138 Ų138128.5 Ų128.574%0.73871%0.706SS**  trans-31.7140.8178.3-75.3-53.9000123.1
75N30.9Very low38.3Very low138 Ų138132.8 Ų132.874%0.73873%0.728SS**  54.2136.2128.8-54.9-42.4000120.9
76S36.3Very low36.7Very low94 Ų94134.9 Ų134.966%0.65774%0.743SS**  -176.2153.35540.40000115.5
77N31Very low35.9Very low148 Ų148134.2 Ų134.279%0.79175%0.747SS**  trans57.8121.4150.5-55.9-23000119.8
78Q33.7Very low35.4Very low180 Ų180135.2 Ų135.284%0.84175%0.752SS**  -161.9144.167.8-88177.359.200115.3
79S29.6Very low34.7Very low111 Ų111133.1 Ų133.178%0.77676%0.756SS**  trans61.5122.9140.4-54.10000122.1
80S33.4Very low34.2Very low104 Ų104134.8 Ų134.873%0.72776%0.762SS**  trans-95.1-178.6177.8-45.60000113.4
81P39.3Very low33.8Very low133 Ų133132.8 Ų132.886%0.86475%0.751SS**  -134.1151.479.622-1.3000116.1
82R33Very low33.4Very low225 Ų225133.7 Ų133.785%0.84974%0.744SS**  trans-97.3162.5170.2-72.3173.5163.9171.3-5111.2
83L32.7Very low33.3Very low148 Ų148135.9 Ų135.978%0.77574%0.743SS**  trans-178.7141.9130.4-78.5-158.5000106.8
84R31.7Very low33.1Very low197 Ų197135.2 Ų135.274%0.74373%0.729SS**  cis-162.8140.72.2-107.5177.9175.9177.21.7111.4
85I30.2Very low33Very low137 Ų137136.7 Ų136.770%0.70373%0.729SS**  65.1142.3129.9-62.6173.5000118.1
86T24.5Very low33Very low118 Ų118137.4 Ų137.472%0.72473%0.731SS**  cis-147.612828.76.80000108.3
87S33.7Very low32.5Very low98 Ų98138.6 Ų138.669%0.68574%0.739SS**  75.9159.777.980.60000116.6
88P43.5Very low32.6Very low106 Ų106143 Ų14369%0.68875%0.745SS**  cis-147.6174.8-48.941.9-24.5000116.8
89S33.5Very low32.9Very low106 Ų106140.5 Ų140.574%0.74174%0.744SS**  trans74.8161.3147.195.10000118.3
90M31.3Very low33Very low157 Ų157138.8 Ų138.877%0.77374%0.744SS**  cis-152.7176.3-1-97.9-141.7177.300107.8
91D31.9Very low32.8Very low108 Ų108145.7 Ų145.758%0.57875%0.754SS**  cis173.6166.7-31.2-172.314.1000107.7
92K36.3Very low32.8Very low153 Ų153148.6 Ų148.667%0.66575%0.753SS**  trans70.7151.1158.7-71.4170.3-173.9163.80120.4
93I36.5Very low32.8Very low132 Ų132149 Ų14968%0.67776%0.755SS**  cis-164.4159.6-14.8-119170.3000111.7
94D28.9Very low32.7Very low108 Ų108149.4 Ų149.458%0.57876%0.758SS**  trans31132158.1-71.6-49.2000123
95K30.6Very low32.6Very low170 Ų170145.6 Ų145.674%0.73976%0.761SS**  cis91.7122.349.3-172.6-161.5-82.4136.70112.8
96I31.1Very low33Very low153 Ų153146.8 Ų146.879%0.78577%0.768SS**  trans171.4130133.7-88.4157.5000114.1
97S25.8Very low33.8Very low118 Ų118146.8 Ų146.883%0.82577%0.768SS**  trans60.5141.6151.8-67.40000126.5
98R32.6Very low34.3Very low242 Ų242148 Ų14891%0.91377%0.774SS**  trans-88.8-174.3-176.7-55.3174.8170.7-144.8-2.7111.4
99P40Very low34.9Very low126 Ų126152.6 Ų152.682%0.81878%0.778SS**  cis-138.9164.12.339.1-19.8000118.4
100G31.8Very low36.1Very low75 Ų75149.3 Ų149.377%0.77375%0.754SS**  trans100.484.2137.500000119.8
101W29.5Very low37.7Very low250 Ų250144 Ų14495%0.94773%0.73SS**  trans-151.7137141-145.6-55.4000110.4R103W101-R103 PolarHBondContact O-N 3.17Å
102K40.3Very low39.9Very low193 Ų193143.7 Ų143.784%0.83973%0.726SS**  trans-57.2128.3170.4-66.3178.4176.1-179.50110.6
103R31.7Very low42.1Very low234 Ų234136.5 Ų136.588%0.88370%0.695SS**  trans-135.9127.6155.2-92.3-170.1-80.4-154.6-3109.4W101 S105W101-R103 PolarHBondContact O-N 3.17Å; R103-S105 PolarHBondContact O-N 2.91Å
104N32.2Very low44.5Very low157 Ų157133.6 Ų133.684%0.8469%0.685SS**  trans-67.3115.9167.2-67.2-9.1000107.2L106N104-L106 PolarHBondContact O-N 2.91Å
105S29.3Very low47.2Very low116 Ų116128.5 Ų128.581%0.81166%0.658SS**  trans-85.598174.8-161.20000108.6R103 T107R103-S105 PolarHBondContact O-N 2.91Å; S105-T107 PolarHBondContact O-N 3.05Å
106L38.6Very low49.8Very low162 Ų162122.7 Ų122.785%0.84864%0.637SS**  trans-74.8111166.1-70.9165.3000107.5N104N104-L106 PolarHBondContact O-N 2.91Å
107T40.1Very low52.3Low118 Ų118117.3 Ų117.372%0.72462%0.619SS**PPolyproline II helixtrans-67.6135.1162.842.30000108.5S105 R109S105-T107 PolarHBondContact O-N 3.05Å; T107-R109 PolarHBondContact O-N 2.93Å
108P44.7Very low55.2Low125 Ų125114.2 Ų114.281%0.81260%0.597SS**PPolyproline II helixtrans-63.5123.6170.3-16.630.2000108.5
109R56.3Low57.8Low202 Ų202110.9 Ų110.976%0.76259%0.592SS**PPolyproline II helixtrans-64143.8168.6-77.9-179166173.9-4.3109.2T107 T111T107-R109 PolarHBondContact O-N 2.93Å; R109-T111 PolarHBondContact O-N 3Å
110P58Low60Low36 Ų36111 Ų11123%0.23458%0.581CS.*  trans-60.3112.3169.124.3-31.4000109.4L64L64-P110 HydrophobicContact CB-CG 4.34Å
111T66.8Low62.4Low46 Ų46112 Ų11228%0.28257%0.569SS.*  trans-94.3-7.2176.457.40000112.9R109 D123 L124 G125R109-T111 PolarHBondContact O-N 3Å; T111-D123 WeakPolarHBondContact CB-OD1 3.45Å; T111-D123 PolarHBondContact OG1-OD1 2.88Å; T111-L124 PolarHBondContact O-N 2.92Å; T111-G125 WeakPolarHBondContact CG2-O 3.49Å
112M77.4Confident65Low101 Ų101100.2 Ų100.250%0.49853%0.525SS..EExtended strand (participates in β ladder)trans-106.7135-174.8-63.8-176.668.500111.7L64 D121 V122 D123L64-M112 WeakPolarHBondContact CD1-O 3.43Å; M112-D121 HydrophobicContact CE-CB 3.97Å; M112-V122 VanDerWaalsContact CA-O 3.3Å; M112-V122 WeakPolarHBondContact CA-O 3.41Å; M112-D123 HydrophobicContact CG-CB 3.91Å
113F83.1Confident66.9Low3 Ų395.1 Ų95.11%0.01351%0.507CS..EExtended strand (participates in β ladder)trans-148.8147.9169.971.3-78.7000111L46 V57 L60 L61 L64 V122 L124L46-F113 HydrophobicContact CD1-CE2 4.2Å; L46-F113 HydrophobicContact CD1-CZ 3.95Å; L46-F113 HydrophobicContact CD2-CZ 3.88Å; V57-F113 HydrophobicContact CG1-CE1 4.27Å; V57-F113 HydrophobicContact CG1-CZ 4.14Å; L60-F113 HydrophobicContact CB-CD2 4.31Å; L60-F113 HydrophobicContact CD1-CD2 4.03Å; L60-F113 HydrophobicContact CD1-CE2 3.95Å; L61-F113 HydrophobicContact CD2-CD1 4.02Å; L64-F113 HydrophobicContact CD1-CB 3.55Å; F113-V122 HydrophobicContact CD1-CB 4.4Å; F113-V122 HydrophobicContact CD1-CG1 4.4Å; F113-V122 HydrophobicContact CE1-CB 4.07Å; F113-V122 HydrophobicContact CE1-CG1 3.72Å; F113-V122 HydrophobicContact CZ-CB 4.29Å; F113-V122 HydrophobicContact CZ-CG1 4.07Å; F113-V122 PolarHBondContact N-O 2.89Å; F113-V122 VanDerWaalsContact N-O 3.16Å; F113-V122 PolarHBondContact O-N 2.71Å; F113-L124 HydrophobicContact CD1-CD1 4.44Å; F113-L124 HydrophobicContact CE1-CD1 3.98Å; F113-L124 HydrophobicContact CE1-CD2 4.09Å; F113-L124 HydrophobicContact CE1-CG 4.06Å
114P85.1Confident69Low71 Ų7184.9 Ų84.946%0.46147%0.469SS..EExtended strand (participates in β ladder)trans-70.6133.6176.128.5-34.4000110.6P116P114-P116 VanDerWaalsContact O-CD 3.32Å; P114-P116 WeakPolarHBondContact O-CD 3.29Å
115C86.4Confident70.9Confident1 Ų178.6 Ų78.61%0.00744%0.442CS..  trans-66.7121.8178.6177.90000111.4L46 C48 G117 C118 E119 H120 V122L46-C115 HydrophobicContact CD1-CB 4.43Å; C48-C115 PolarHBondContact SG-SG 3.28Å; C115-G117 PolarHBondContact O-N 2.87Å; C115-C118 PolarHBondContact O-N 2.76Å; C115-C118 VanDerWaalsContact SG-SG 3.64Å; C115-E119 WeakPolarHBondContact O-CA 3.23Å; C115-E119 PolarHBondContact O-N 2.84Å; C115-H120 WeakPolarHBondContact CB-O 3.36Å; C115-H120 PolarHBondContact N-O 2.83Å; C115-V122 HydrophobicContact CB-CG2 4.14Å
116P85.6Confident72.6Confident48 Ų4883.1 Ų83.131%0.31245%0.45SS..THydrogen-bonded Turntrans-64.6-4.6-179.6-23.734.7000116.1P34 A35 L60 P114P34-P116 HydrophobicContact CB-CB 4.3Å; P34-P116 HydrophobicContact CG-CB 4.47Å; A35-P116 HydrophobicContact CB-CB 4.42Å; A35-P116 HydrophobicContact CB-CG 4.23Å; L60-P116 HydrophobicContact CD1-CG 3.74Å; P114-P116 VanDerWaalsContact O-CD 3.32Å; P114-P116 WeakPolarHBondContact O-CD 3.29Å
117G83.2Confident74Confident39 Ų3981.5 Ų81.540%0.40243%0.432SS..THydrogen-bonded Turntrans-104.2-21.6176.900000115C115C115-G117 PolarHBondContact O-N 2.87Å
118C88.1Confident75.7Confident54 Ų5476.8 Ų76.837%0.36541%0.408SS..THydrogen-bonded Turntrans-148.38.8-173.869.10000114.8H50 C115 H120H50-C118 VanDerWaalsContact CE1-CB 3.48Å; H50-C118 WeakPolarHBondContact CE1-CB 3.3Å; C115-C118 PolarHBondContact O-N 2.76Å; C115-C118 VanDerWaalsContact SG-SG 3.64Å; C118-H120 PolarHBondContact O-N 2.67Å
119E85.6Confident77.2Confident172 Ų17272 Ų7280%0.80438%0.376SS*.  trans58.9-6.3177.3-60.7178.8-174.500116.6C115C115-E119 WeakPolarHBondContact O-CA 3.23Å; C115-E119 PolarHBondContact O-N 2.84Å
120H85.8Confident78.2Confident128 Ų12867 Ų6759%0.59337%0.372SS*.  trans-64.9134176.3-162.176.4000112.2C115 C118 V122C115-H120 WeakPolarHBondContact CB-O 3.36Å; C115-H120 PolarHBondContact N-O 2.83Å; C118-H120 PolarHBondContact O-N 2.67Å; H120-V122 PolarHBondContact O-N 2.94Å
121D83.9Confident79Confident97 Ų9766.5 Ų66.552%0.51937%0.374SS..EExtended strand (participates in β ladder)trans-64.6125.8176.9-72.1-44.7000111.7M112M112-D121 HydrophobicContact CE-CB 3.97Å
122V82.3Confident79.7Confident2 Ų265.4 Ų65.41%0.01237%0.366CS..EExtended strand (participates in β ladder)trans-108.5108179.5165.90000109.3L46 P47 C48 M112 F113 C115 H120 L124L46-V122 HydrophobicContact CB-CG1 4.49Å; L46-V122 HydrophobicContact CB-CG2 4.3Å; L46-V122 HydrophobicContact CD1-CG2 4.32Å; L46-V122 HydrophobicContact CD2-CG1 4.43Å; P47-V122 VanDerWaalsContact CD-CG1 3.5Å; P47-V122 HydrophobicContact CG-CG1 4.04Å; C48-V122 HydrophobicContact CB-CG2 4.32Å; M112-V122 VanDerWaalsContact CA-O 3.3Å; M112-V122 WeakPolarHBondContact CA-O 3.41Å; F113-V122 HydrophobicContact CD1-CB 4.4Å; F113-V122 HydrophobicContact CD1-CG1 4.4Å; F113-V122 HydrophobicContact CE1-CB 4.07Å; F113-V122 HydrophobicContact CE1-CG1 3.72Å; F113-V122 HydrophobicContact CZ-CB 4.29Å; F113-V122 HydrophobicContact CZ-CG1 4.07Å; F113-V122 PolarHBondContact N-O 2.89Å; F113-V122 VanDerWaalsContact N-O 3.16Å; F113-V122 PolarHBondContact O-N 2.71Å; C115-V122 HydrophobicContact CB-CG2 4.14Å; H120-V122 PolarHBondContact O-N 2.94Å; V122-L124 HydrophobicContact CG1-CD2 3.78Å; V122-L124 HydrophobicContact CG1-CG 4.46Å
123D80.9Confident79.9Confident86 Ų8662.6 Ų62.646%0.4635%0.351SS..EExtended strand (participates in β ladder)trans-82.5128.1165.9-17724.5000111T111 M112 G125T111-D123 WeakPolarHBondContact CB-OD1 3.45Å; T111-D123 PolarHBondContact OG1-OD1 2.88Å; M112-D123 HydrophobicContact CG-CB 3.91Å; D123-G125 PolarHBondContact OD1-N 2.88Å
124L75.1Confident79.9Confident19 Ų1967.2 Ų67.210%0.09937%0.368CS..  trans-94.2-12.1175.9-59-177.5000113.6V57 L61 T111 F113 V122 V129 L132V57-L124 HydrophobicContact CG1-CD1 4.39Å; L61-L124 HydrophobicContact CD1-CD1 3.66Å; L61-L124 HydrophobicContact CD2-CD1 4.01Å; L61-L124 HydrophobicContact CG-CD1 4.33Å; T111-L124 PolarHBondContact O-N 2.92Å; F113-L124 HydrophobicContact CD1-CD1 4.44Å; F113-L124 HydrophobicContact CE1-CD1 3.98Å; F113-L124 HydrophobicContact CE1-CD2 4.09Å; F113-L124 HydrophobicContact CE1-CG 4.06Å; V122-L124 HydrophobicContact CG1-CD2 3.78Å; V122-L124 HydrophobicContact CG1-CG 4.46Å; L124-V129 HydrophobicContact CD1-CG2 4.29Å; L124-L132 HydrophobicContact CD2-CD1 3.8Å; L124-L132 HydrophobicContact CD2-CD2 3.73Å; L124-L132 HydrophobicContact CD2-CG 3.98Å
125G72.4Confident79.9Confident25 Ų2565.3 Ų65.326%0.25835%0.354SS..G310 helixtrans57.5-166.1-177.100000114.7T111 D123 R127 G128T111-G125 WeakPolarHBondContact CG2-O 3.49Å; D123-G125 PolarHBondContact OD1-N 2.88Å; G125-R127 PolarHBondContact O-N 2.86Å; G125-G128 PolarHBondContact O-N 3.43Å
126E66.6Low79.6Confident211 Ų21167 Ų6799%0.98636%0.361SS*.G310 helixtrans-59.7-23.5-171.3-59.8-177.4167.100115
127R66Low79.4Confident127 Ų12769.3 Ų69.348%0.47938%0.375SS..G310 helixtrans-90.6-8.7-179.8-68.1-175.6-70.1-145.2-0.2113.7G125 S130 E214G125-R127 PolarHBondContact O-N 2.86Å; R127-S130 PolarHBondContact O-N 2.84Å; R127-E214 IonicContact CZ-OE1 2.73Å; R127-E214 IonicContact NH1-OE1 2.69Å; R127-E214 IonicContact NH2-OE1 2.7Å; R127-E214 PolarHBondContact NH2-OE1 3.45Å
128G76.6Confident79.4Confident20 Ų2068.4 Ų68.421%0.20636%0.361CS..G310 helixtrans52.5-142.3179.300000113.2G125 S130 G131G125-G128 PolarHBondContact O-N 3.43Å; G128-S130 PolarHBondContact O-N 2.96Å; G128-S130 VanDerWaalsContact O-N 3.09Å; G128-G131 PolarHBondContact O-N 3.23Å
129V77.4Confident79Confident23 Ų2367.3 Ų67.314%0.13935%0.35CS..G310 helixtrans-57-27.4-178.5-170.50000113.3L44 V57 K58 L61 L124 G131 L132L44-V129 HydrophobicContact CD1-CG1 3.43Å; L44-V129 VanDerWaalsContact CD1-CG1 3.43Å; V57-V129 HydrophobicContact CG1-CG1 4.3Å; V57-V129 HydrophobicContact CG1-CG2 3.96Å; K58-V129 HydrophobicContact CG-CG2 4.28Å; L61-V129 HydrophobicContact CD1-CG2 3.44Å; L61-V129 VanDerWaalsContact CD1-CG2 3.44Å; L124-V129 HydrophobicContact CD1-CG2 4.29Å; V129-G131 VanDerWaalsContact C-N 3.25Å; V129-G131 PolarHBondContact O-N 2.88Å; V129-L132 PolarHBondContact O-N 2.92Å
130S75.7Confident78.6Confident99 Ų9961 Ų6169%0.69232%0.323SS*.G310 helixtrans-70.6-19.3178.3-58.40000113.5R127 G128 L132R127-S130 PolarHBondContact O-N 2.84Å; G128-S130 PolarHBondContact O-N 2.96Å; G128-S130 VanDerWaalsContact O-N 3.09Å; S130-L132 VanDerWaalsContact C-N 3.27Å; S130-L132 PolarHBondContact O-N 3.24Å
131G74.4Confident78.4Confident25 Ų2557.6 Ų57.626%0.25831%0.309SS..G310 helixtrans-76.6-7.5175.400000114.8G128 V129 P213G128-G131 PolarHBondContact O-N 3.23Å; V129-G131 VanDerWaalsContact C-N 3.25Å; V129-G131 PolarHBondContact O-N 2.88Å; G131-P213 WeakPolarHBondContact O-CB 3.4Å
132L82.6Confident78.2Confident22 Ų2253 Ų5312%0.11528%0.284CS..SBendtrans-91.1143.7-175.3-60.9177.1000112.8L44 L46 V57 L124 V129 S130L44-L132 HydrophobicContact CB-CB 4.23Å; L44-L132 HydrophobicContact CB-CD1 4.16Å; L44-L132 HydrophobicContact CD1-CB 4.36Å; L44-L132 HydrophobicContact CD1-CD1 3.89Å; L46-L132 HydrophobicContact CD2-CD1 3.81Å; L46-L132 HydrophobicContact CD2-CD2 4.48Å; V57-L132 HydrophobicContact CG1-CD1 4.33Å; L124-L132 HydrophobicContact CD2-CD1 3.8Å; L124-L132 HydrophobicContact CD2-CD2 3.73Å; L124-L132 HydrophobicContact CD2-CG 3.98Å; V129-L132 PolarHBondContact O-N 2.92Å; S130-L132 VanDerWaalsContact C-N 3.27Å; S130-L132 PolarHBondContact O-N 3.24Å
133F82.1Confident77.8Confident42 Ų4255.5 Ų55.518%0.18430%0.296CS..EExtended strand (participates in β ladder)trans-74.7139.8173.6-69.8-75.4000111.6L44 I45 P213 I220 P230L44-F133 CarbonylContact C-O 3.59Å; L44-F133 WeakPolarHBondContact CA-O 3.12Å; I45-F133 HydrophobicContact CB-CB 4.49Å; I45-F133 HydrophobicContact CD1-CB 4.44Å; I45-F133 PolarHBondContact N-O 3.02Å; F133-P213 HydrophobicContact CD1-CG 3.67Å; F133-P213 HydrophobicContact CD2-CG 4.49Å; F133-P213 HydrophobicContact CE1-CG 3.48Å; F133-P213 VanDerWaalsContact CE1-CG 3.48Å; F133-P213 HydrophobicContact CE2-CG 4.34Å; F133-P213 HydrophobicContact CG-CG 4.19Å; F133-P213 HydrophobicContact CZ-CG 3.85Å; F133-I220 HydrophobicContact CD1-CD1 4.12Å; F133-I220 HydrophobicContact CE1-CD1 3.44Å; F133-I220 VanDerWaalsContact CE1-CD1 3.44Å; F133-I220 HydrophobicContact CZ-CD1 4.31Å; F133-P230 HydrophobicContact CZ-CG 4.42Å
134R82.5Confident77.4Confident101 Ų10155.5 Ų55.538%0.38129%0.289SS..EExtended strand (participates in β ladder)trans-79.8134.6168.1-65.9-177.4-173.9163.77.4110.7P43 L44 F136P43-R134 WeakPolarHBondContact O-CA 3.23Å; L44-R134 HydrophobicContact CD2-CG 3.83Å; R134-F136 HydrophobicContact CB-CD1 4.43Å; R134-F136 HydrophobicContact CB-CD2 4.45Å; R134-F136 HydrophobicContact CB-CE1 4.08Å; R134-F136 HydrophobicContact CB-CE2 4.1Å; R134-F136 HydrophobicContact CB-CZ 3.91Å; R134-F136 PolarHBondContact O-N 3.23Å
135N85Confident77.4Confident31 Ų3155.7 Ų55.717%0.16629%0.289CS..  trans-9071.6177.9-163.4-18.2000111.4P43 I45 S51 T137 L138 E139P43-N135 HydrophobicContact CB-CB 4.1Å; P43-N135 HydrophobicContact CG-CB 3.97Å; P43-N135 WeakPolarHBondContact CG-O 3.4Å; P43-N135 PolarHBondContact O-N 2.82Å; I45-N135 HydrophobicContact CD1-CB 4.06Å; I45-N135 HydrophobicContact CG1-CB 3.72Å; S51-N135 PolarHBondContact OG-ND2 2.71Å; N135-T137 PolarHBondContact O-N 2.95Å; N135-L138 HydrophobicContact CB-CB 4.02Å; N135-L138 WeakPolarHBondContact ND2-CB 3.48Å; N135-L138 PolarHBondContact O-N 3.13Å; N135-L138 WeakPolarHBondContact OD1-CB 3.39Å; N135-L138 PolarHBondContact OD1-N 3.43Å; N135-E139 PolarHBondContact O-N 3.27Å
136F80.9Confident77.5Confident36 Ų3657.9 Ų57.916%0.15829%0.289CS..Hα-helixtrans-59.2-27.3179.8-61.6-64.4000113.6R134 T140 L210R134-F136 HydrophobicContact CB-CD1 4.43Å; R134-F136 HydrophobicContact CB-CD2 4.45Å; R134-F136 HydrophobicContact CB-CE1 4.08Å; R134-F136 HydrophobicContact CB-CE2 4.1Å; R134-F136 HydrophobicContact CB-CZ 3.91Å; R134-F136 PolarHBondContact O-N 3.23Å; F136-T140 VanDerWaalsContact O-CB 3.29Å; F136-T140 WeakPolarHBondContact O-CB 3.48Å; F136-T140 PolarHBondContact O-N 3.45Å; F136-T140 PolarHBondContact O-OG1 3.33Å; F136-L210 HydrophobicContact CD2-CD2 3.75Å; F136-L210 HydrophobicContact CD2-CG 3.95Å; F136-L210 HydrophobicContact CE2-CD2 3.78Å; F136-L210 HydrophobicContact CE2-CG 4.12Å
137T81.4Confident77.6Confident96 Ų9653.5 Ų53.559%0.58927%0.269SS*.Hα-helixtrans-67.3-51.7175.9-53.70000110.4N135 E139 T140 I141N135-T137 PolarHBondContact O-N 2.95Å; T137-E139 VanDerWaalsContact C-N 3.35Å; T137-E139 PolarHBondContact O-N 3.42Å; T137-T140 CarbonylContact O-C 3.19Å; T137-T140 PolarHBondContact O-N 3.45Å; T137-I141 HydrophobicContact CG2-CD1 3.98Å; T137-I141 VanDerWaalsContact O-CG1 3.28Å; T137-I141 WeakPolarHBondContact O-CG1 3.36Å; T137-I141 PolarHBondContact O-N 3.1Å
138L82.3Confident77.6Confident21 Ų2151.2 Ų51.211%0.1128%0.277CS..Hα-helixtrans-61.3-43175.5-179.258.4000111.4L31 F40 P43 N135 T140 I141 V142L31-L138 HydrophobicContact CD2-CD1 3.85Å; F40-L138 HydrophobicContact CD1-CD2 4.33Å; F40-L138 HydrophobicContact CD2-CD1 4.05Å; F40-L138 HydrophobicContact CD2-CD2 3.65Å; F40-L138 HydrophobicContact CD2-CG 3.95Å; F40-L138 HydrophobicContact CE1-CD2 4.41Å; F40-L138 HydrophobicContact CE2-CD1 4.36Å; F40-L138 HydrophobicContact CE2-CD2 3.76Å; F40-L138 HydrophobicContact CE2-CG 4.43Å; F40-L138 HydrophobicContact CG-CD2 3.96Å; F40-L138 HydrophobicContact CG-CG 4.34Å; F40-L138 HydrophobicContact CZ-CD2 4.14Å; P43-L138 HydrophobicContact CB-CD2 3.97Å; P43-L138 HydrophobicContact CG-CB 4.26Å; P43-L138 HydrophobicContact CG-CD2 4.21Å; P43-L138 HydrophobicContact CG-CG 4.26Å; N135-L138 HydrophobicContact CB-CB 4.02Å; N135-L138 WeakPolarHBondContact ND2-CB 3.48Å; N135-L138 PolarHBondContact O-N 3.13Å; N135-L138 WeakPolarHBondContact OD1-CB 3.39Å; N135-L138 PolarHBondContact OD1-N 3.43Å; L138-T140 VanDerWaalsContact C-N 3.31Å; L138-T140 PolarHBondContact O-N 3.3Å; L138-I141 PolarHBondContact O-N 3.12Å; L138-I141 VanDerWaalsContact O-N 3.15Å; L138-V142 HydrophobicContact CD1-CG2 4.14Å; L138-V142 HydrophobicContact CG-CG2 4.46Å; L138-V142 WeakPolarHBondContact O-CB 3.3Å; L138-V142 VanDerWaalsContact O-CG2 3.32Å; L138-V142 WeakPolarHBondContact O-CG2 3.37Å; L138-V142 PolarHBondContact O-N 3.41Å
139E80.3Confident77.1Confident31 Ų3152.9 Ų52.915%0.14529%0.289CS..Hα-helixtrans-57.1-43.1173.9-172.4164.9-121.500112H42 P43 N135 T137 E143H42-E139 WeakPolarHBondContact CA-OE1 3.49Å; H42-E139 IonicContact CD2-OE1 3.08Å; H42-E139 PolarHBondContact CD2-OE1 2.85Å; H42-E139 VanDerWaalsContact CD2-OE1 3.31Å; H42-E139 IonicContact CG-OE1 3.74Å; H42-E139 PolarHBondContact N-OE1 2.89Å; P43-E139 HydrophobicContact CG-CB 4.15Å; N135-E139 PolarHBondContact O-N 3.27Å; T137-E139 VanDerWaalsContact C-N 3.35Å; T137-E139 PolarHBondContact O-N 3.42Å; E139-E143 VanDerWaalsContact O-CB 3.26Å; E139-E143 WeakPolarHBondContact O-CB 3.24Å; E139-E143 PolarHBondContact O-N 2.84Å
140T77.5Confident76Confident39 Ų3960.5 Ų60.524%0.23932%0.315CS..Hα-helixtrans-74.4-26.5177.3-580000113F136 T137 L138 R144 K208F136-T140 VanDerWaalsContact O-CB 3.29Å; F136-T140 WeakPolarHBondContact O-CB 3.48Å; F136-T140 PolarHBondContact O-N 3.45Å; F136-T140 PolarHBondContact O-OG1 3.33Å; T137-T140 CarbonylContact O-C 3.19Å; T137-T140 PolarHBondContact O-N 3.45Å; L138-T140 VanDerWaalsContact C-N 3.31Å; L138-T140 PolarHBondContact O-N 3.3Å; T140-R144 WeakPolarHBondContact O-CG 3.32Å; T140-R144 PolarHBondContact O-N 3.5Å; T140-R144 PolarHBondContact O-NE 2.85Å; T140-K208 PolarHBondContact OG1-NZ 3.24Å
141I80.9Confident75.1Confident57 Ų5761.4 Ų61.429%0.29233%0.329SS..Hα-helixtrans-73.1-48171.7-66.8163000110.1L31 T137 L138 E143 R144 Y145L31-I141 HydrophobicContact CD1-CG2 4.43Å; L31-I141 HydrophobicContact CD2-CB 4.46Å; L31-I141 HydrophobicContact CD2-CG2 3.64Å; T137-I141 HydrophobicContact CG2-CD1 3.98Å; T137-I141 VanDerWaalsContact O-CG1 3.28Å; T137-I141 WeakPolarHBondContact O-CG1 3.36Å; T137-I141 PolarHBondContact O-N 3.1Å; L138-I141 PolarHBondContact O-N 3.12Å; L138-I141 VanDerWaalsContact O-N 3.15Å; I141-E143 VanDerWaalsContact C-N 3.28Å; I141-E143 PolarHBondContact O-N 2.87Å; I141-R144 PolarHBondContact O-N 3.39Å; I141-Y145 WeakPolarHBondContact O-CB 3.43Å; I141-Y145 PolarHBondContact O-N 3.08Å
142V79.6Confident74Confident0 Ų063.4 Ų63.40%034%0.343CS..Hα-helixtrans-60.5-39.2176.6174.20000111.1L31 L39 F40 L138 Y145 R146L31-V142 HydrophobicContact CB-CG2 4.04Å; L31-V142 HydrophobicContact CD2-CG2 3.79Å; L31-V142 HydrophobicContact CG-CG2 4.35Å; L39-V142 HydrophobicContact CB-CG1 3.96Å; F40-V142 HydrophobicContact CB-CG2 4.21Å; F40-V142 HydrophobicContact CD2-CG2 4.42Å; L138-V142 HydrophobicContact CD1-CG2 4.14Å; L138-V142 HydrophobicContact CG-CG2 4.46Å; L138-V142 WeakPolarHBondContact O-CB 3.3Å; L138-V142 VanDerWaalsContact O-CG2 3.32Å; L138-V142 WeakPolarHBondContact O-CG2 3.37Å; L138-V142 PolarHBondContact O-N 3.41Å; V142-Y145 WeakPolarHBondContact O-CB 3.25Å; V142-Y145 PolarHBondContact O-N 3.34Å; V142-R146 VanDerWaalsContact CG1-CZ 3.5Å; V142-R146 WeakPolarHBondContact O-CG 3.41Å; V142-R146 PolarHBondContact O-N 2.9Å
143E73.4Confident72.8Confident54 Ų5468.7 Ų68.725%0.25238%0.376SS..Hα-helixtrans-66.1-41.8177.5-169.852.5-148.500112.3E139 I141 Y145 R146 Q147E139-E143 VanDerWaalsContact O-CB 3.26Å; E139-E143 WeakPolarHBondContact O-CB 3.24Å; E139-E143 PolarHBondContact O-N 2.84Å; I141-E143 VanDerWaalsContact C-N 3.28Å; I141-E143 PolarHBondContact O-N 2.87Å; E143-Y145 VanDerWaalsContact C-N 3.33Å; E143-Y145 PolarHBondContact O-N 3.5Å; E143-R146 PolarHBondContact O-N 3.05Å; E143-R146 IonicContact OE2-NH1 2.8Å; E143-R146 PolarHBondContact OE2-NH1 3.24Å; E143-R146 VanDerWaalsContact OE2-NH1 3.08Å; E143-Q147 VanDerWaalsContact O-CG 3.26Å; E143-Q147 WeakPolarHBondContact O-CG 3.43Å; E143-Q147 PolarHBondContact O-N 3.33Å; E143-Q147 PolarHBondContact OE1-NE2 3.27Å
144R72.1Confident71.9Confident87 Ų8769 Ų6933%0.32839%0.386SS..Hα-helixtrans-66.1-34.6171.7-72.4178.4-66.6-178.63.8112.4F10 T140 I141 Q147 A148F10-R144 VanDerWaalsContact CE2-CZ 3.4Å; F10-R144 VanDerWaalsContact CZ-NH1 3.26Å; T140-R144 WeakPolarHBondContact O-CG 3.32Å; T140-R144 PolarHBondContact O-N 3.5Å; T140-R144 PolarHBondContact O-NE 2.85Å; I141-R144 PolarHBondContact O-N 3.39Å; R144-Q147 PolarHBondContact O-N 3.49Å; R144-A148 WeakPolarHBondContact O-CB 3.36Å; R144-A148 PolarHBondContact O-N 2.95Å
145Y75.2Confident71.4Confident23 Ų2366.4 Ų66.49%0.0938%0.38CS..Hα-helixtrans-64.7-44172.9-178.7-95.3000111.6I24 I27 E28 L31 L39 I141 V142 E143 Q147 A148 A149I24-Y145 HydrophobicContact CG2-CE2 3.68Å; I27-Y145 HydrophobicContact CG2-CD2 4.17Å; I27-Y145 HydrophobicContact CG2-CE2 4Å; E28-Y145 HydrophobicContact CB-CE2 4.49Å; E28-Y145 WeakPolarHBondContact CB-OH 3.49Å; E28-Y145 HydrophobicContact CG-CE1 4.44Å; E28-Y145 WeakPolarHBondContact CG-OH 3.33Å; E28-Y145 PolarHBondContact OE1-OH 3.01Å; L31-Y145 HydrophobicContact CD1-CD1 3.99Å; L31-Y145 HydrophobicContact CD1-CD2 3.58Å; L31-Y145 HydrophobicContact CD1-CE2 4.27Å; L31-Y145 HydrophobicContact CD1-CG 3.43Å; L31-Y145 VanDerWaalsContact CD1-CG 3.43Å; L39-Y145 HydrophobicContact CD1-CD1 4.08Å; L39-Y145 HydrophobicContact CD1-CE1 4.23Å; L39-Y145 HydrophobicContact CD2-CD1 4.08Å; L39-Y145 HydrophobicContact CD2-CE1 4.1Å; I141-Y145 WeakPolarHBondContact O-CB 3.43Å; I141-Y145 PolarHBondContact O-N 3.08Å; V142-Y145 WeakPolarHBondContact O-CB 3.25Å; V142-Y145 PolarHBondContact O-N 3.34Å; E143-Y145 VanDerWaalsContact C-N 3.33Å; E143-Y145 PolarHBondContact O-N 3.5Å; Y145-Q147 VanDerWaalsContact C-N 3.34Å; Y145-Q147 PolarHBondContact O-N 3.41Å; Y145-A148 PolarHBondContact O-N 3.07Å; Y145-A149 HydrophobicContact CE1-CB 4.26Å; Y145-A149 WeakPolarHBondContact O-CB 3.36Å; Y145-A149 PolarHBondContact O-N 2.92Å
146R74.3Confident71.4Confident71 Ų7168.6 Ų68.627%0.26839%0.39SS..Hα-helixtrans-57.1-47.1173.3-73.3177.1-174.2124.57.3111.4L39 F40 V142 E143 A149 R150L39-R146 HydrophobicContact CD1-CG 4.04Å; F40-R146 PolarHBondContact O-NH2 2.84Å; V142-R146 VanDerWaalsContact CG1-CZ 3.5Å; V142-R146 WeakPolarHBondContact O-CG 3.41Å; V142-R146 PolarHBondContact O-N 2.9Å; E143-R146 PolarHBondContact O-N 3.05Å; E143-R146 IonicContact OE2-NH1 2.8Å; E143-R146 PolarHBondContact OE2-NH1 3.24Å; E143-R146 VanDerWaalsContact OE2-NH1 3.08Å; R146-A149 PolarHBondContact O-N 3.24Å; R146-R150 PolarHBondContact O-N 3.08Å; R146-R150 VanDerWaalsContact O-O 3.14Å
147Q68.6Low71.6Confident119 Ų11967.1 Ų67.156%0.55638%0.384SS*.Hα-helixtrans-65.5-35.3179.3-68.6166.49.500112.9E143 R144 Y145E143-Q147 VanDerWaalsContact O-CG 3.26Å; E143-Q147 WeakPolarHBondContact O-CG 3.43Å; E143-Q147 PolarHBondContact O-N 3.33Å; E143-Q147 PolarHBondContact OE1-NE2 3.27Å; R144-Q147 PolarHBondContact O-N 3.49Å; Y145-Q147 VanDerWaalsContact C-N 3.34Å; Y145-Q147 PolarHBondContact O-N 3.41Å
148A67.6Low71.6Confident78 Ų7867.5 Ų67.565%0.64538%0.382SS*.Hα-helixtrans-79-36177.100000113.3R144 Y145R144-A148 WeakPolarHBondContact O-CB 3.36Å; R144-A148 PolarHBondContact O-N 2.95Å; Y145-A148 PolarHBondContact O-N 3.07Å
149A64.8Low71.7Confident56 Ų5669.8 Ų69.846%0.46339%0.394SS..Hα-helixtrans-82.1-22.5-179.500000113.2Y145 R146Y145-A149 HydrophobicContact CE1-CB 4.26Å; Y145-A149 WeakPolarHBondContact O-CB 3.36Å; Y145-A149 PolarHBondContact O-N 2.92Å; R146-A149 PolarHBondContact O-N 3.24Å
150R55.6Low71.9Confident183 Ų18369.7 Ų69.769%0.69140%0.396SS*.  trans-144124.3177.2-62.9-179.1-175.5143.93.7110.7R146 A152R146-R150 PolarHBondContact O-N 3.08Å; R146-R150 VanDerWaalsContact O-O 3.14Å; R150-A152 HydrophobicContact CB-CB 4.4Å; R150-A152 PolarHBondContact O-N 3.17Å
151A55.3Low71.8Confident118 Ų11876.9 Ų76.998%0.97543%0.425SS*.  trans-71.823.9166.200000113.4
152A52.6Low71.4Confident66 Ų6680 Ų8055%0.54545%0.448SS..  trans-14497.2-156.800000114.1R150R150-A152 HydrophobicContact CB-CB 4.4Å; R150-A152 PolarHBondContact O-N 3.17Å
153T57Low70.8Confident134 Ų13485.6 Ų85.682%0.82249%0.485SS*.  -165.2118.411026.40000107.3I155T153-I155 PolarHBondContact O-N 3.21Å
154A63.7Low71Confident48 Ų4885.9 Ų85.940%0.39749%0.491SS..PPolyproline II helixtrans-63.8124.9174.200000109.1M156 E166A154-M156 HydrophobicContact CB-SD 4.2Å; A154-M156 PolarHBondContact O-N 3.25Å; A154-E166 HydrophobicContact CB-CB 4.3Å; A154-E166 VanDerWaalsContact CB-CD 3.49Å; A154-E166 HydrophobicContact CB-CG 3.69Å; A154-E166 WeakPolarHBondContact CB-OE1 3.22Å
155I72.2Confident71.4Confident47 Ų4787.1 Ų87.124%0.24150%0.501CS..PPolyproline II helixtrans-71.5121173.8-67.7168.5000106.3T153 S167 S177 P201 T203T153-I155 PolarHBondContact O-N 3.21Å; I155-S167 WeakPolarHBondContact O-CA 3.27Å; I155-S167 WeakPolarHBondContact O-CB 3.35Å; I155-S167 PolarHBondContact O-N 2.76Å; I155-S177 WeakPolarHBondContact CG2-OG 3.34Å; I155-P201 HydrophobicContact CB-CB 4.04Å; I155-P201 HydrophobicContact CD1-CB 4.08Å; I155-P201 WeakPolarHBondContact CD1-O 3.42Å; I155-P201 HydrophobicContact CG2-CB 4.47Å; I155-T203 HydrophobicContact CD1-CG2 4.1Å; I155-T203 HydrophobicContact CG1-CG2 4.28Å
156M83.4Confident71.8Confident76 Ų7692.3 Ų92.337%0.37453%0.526SS..BIsolated β-bridgetrans-82.8158.6-174.6-54.1-52-71.700111.3A154 P164 E166A154-M156 HydrophobicContact CB-SD 4.2Å; A154-M156 PolarHBondContact O-N 3.25Å; M156-P164 HydrophobicContact CB-CB 4.26Å; M156-P164 HydrophobicContact CB-CG 4.4Å; M156-P164 HydrophobicContact CE-CB 4.28Å; M156-P164 HydrophobicContact CE-CG 4.06Å; M156-P164 WeakPolarHBondContact CE-O 3.33Å; M156-E166 HydrophobicContact CE-CG 4.42Å; M156-E166 HydrophobicContact SD-CG 4.32Å
157C86.1Confident72.2Confident5 Ų589.4 Ų89.43%0.03452%0.516CS..PPolyproline II helixtrans-75.1123.6175.1178.70000111.1L159 C160 Q165 S177 C179C157-L159 PolarHBondContact O-N 2.8Å; C157-C160 HydrophobicContact CB-CB 4.21Å; C157-C160 VanDerWaalsContact CB-SG 3.57Å; C157-C160 PolarHBondContact SG-SG 3.05Å; C157-Q165 VanDerWaalsContact CB-O 3.31Å; C157-Q165 WeakPolarHBondContact CB-O 3.4Å; C157-Q165 PolarHBondContact N-O 3.33Å; C157-S177 WeakPolarHBondContact CA-O 3.5Å; C157-C179 HydrophobicContact CB-CB 3.96Å; C157-C179 PolarHBondContact SG-N 2.78Å
158D81.9Confident72.8Confident105 Ų10587.1 Ų87.156%0.56151%0.511SS*.THydrogen-bonded Turntrans-70.8-14.4-177.1-60.9-48.1000113.5S177D158-S177 PolarHBondContact N-O 2.81Å; D158-S177 PolarHBondContact OD2-N 3.12Å
159L82.7Confident73.6Confident69 Ų6985.7 Ų85.736%0.36149%0.49SS..THydrogen-bonded Turntrans-110.4-5.1-175.4-68.1-176.6000115C157 F178 C182 Y186C157-L159 PolarHBondContact O-N 2.8Å; L159-F178 HydrophobicContact CD1-CD1 3.71Å; L159-F178 HydrophobicContact CD1-CE1 3.36Å; L159-F178 HydrophobicContact CD1-CZ 4.42Å; L159-F178 HydrophobicContact CG-CD1 4.07Å; L159-F178 HydrophobicContact CG-CE1 3.8Å; L159-C182 HydrophobicContact CB-CB 4.19Å; L159-Y186 HydrophobicContact CD1-CD1 4.18Å; L159-Y186 HydrophobicContact CD1-CD2 3.35Å; L159-Y186 HydrophobicContact CD1-CE1 4.31Å; L159-Y186 HydrophobicContact CD1-CE2 3.5Å; L159-Y186 HydrophobicContact CD1-CG 3.71Å; L159-Y186 HydrophobicContact CD2-CE2 4.36Å
160C85.9Confident74.4Confident28 Ų2883 Ų8319%0.18947%0.468CS..PPolyproline II helixtrans-72.3137.8179.1-780000111.3C157 P164 C179C157-C160 HydrophobicContact CB-CB 4.21Å; C157-C160 VanDerWaalsContact CB-SG 3.57Å; C157-C160 PolarHBondContact SG-SG 3.05Å; C160-P164 HydrophobicContact CB-CB 4.16Å; C160-C179 VanDerWaalsContact SG-SG 3.65Å
161K73.9Confident75.8Confident191 Ų19174.3 Ų74.383%0.8344%0.435SS*.PPolyproline II helixtrans-64.9145.9163.1-67.3-175.5179.1-179.10109.1P163K161-P163 CarbonylContact O-C 3.56Å
162P74.1Confident76.8Confident122 Ų12270.8 Ų70.879%0.79240%0.399SS*.SBendtrans-59.1139.8-177.8-25.134.5000113.1
163P66.3Low78.1Confident117 Ų11772.4 Ų72.476%0.7640%0.399SS*.SBendcis-74.1137.3-3.831.1-34.2000112.1K161K161-P163 CarbonylContact O-C 3.56Å
164P76.8Confident79.3Confident60 Ų6068 Ų6839%0.3937%0.372SS..PPolyproline II helixtrans-65.9145.7178.529.5-34.7000111M156 C160M156-P164 HydrophobicContact CB-CB 4.26Å; M156-P164 HydrophobicContact CB-CG 4.4Å; M156-P164 HydrophobicContact CE-CB 4.28Å; M156-P164 HydrophobicContact CE-CG 4.06Å; M156-P164 WeakPolarHBondContact CE-O 3.33Å; C160-P164 HydrophobicContact CB-CB 4.16Å
165Q82.4Confident80Confident113 Ų11369.1 Ų69.153%0.52838%0.377SS..PPolyproline II helixtrans-88.8159.7173.4-67.5-177.6-25.400111C157 C179C157-Q165 VanDerWaalsContact CB-O 3.31Å; C157-Q165 WeakPolarHBondContact CB-O 3.4Å; C157-Q165 PolarHBondContact N-O 3.33Å; Q165-C179 HydrophobicContact CB-CB 4.01Å; Q165-C179 PolarHBondContact OE1-SG 3.45Å; Q165-C179 VanDerWaalsContact OE1-SG 3.34Å
166E82.6Confident80.5Confident132 Ų13267.7 Ų67.762%0.61737%0.373SS*.BIsolated β-bridgetrans-62.1135.8171.7-56.5-172166.300110.7A154 M156 C179A154-E166 HydrophobicContact CB-CB 4.3Å; A154-E166 VanDerWaalsContact CB-CD 3.49Å; A154-E166 HydrophobicContact CB-CG 3.69Å; A154-E166 WeakPolarHBondContact CB-OE1 3.22Å; M156-E166 HydrophobicContact CE-CG 4.42Å; M156-E166 HydrophobicContact SD-CG 4.32Å; E166-C179 WeakPolarHBondContact O-CB 3.08Å
167S82.5Confident80.6Confident10 Ų1064.2 Ų64.27%0.0736%0.356CS..PPolyproline II helixtrans-68138.9171.9-179.60000109.6I155 K169 S177 F178 P201I155-S167 WeakPolarHBondContact O-CA 3.27Å; I155-S167 WeakPolarHBondContact O-CB 3.35Å; I155-S167 PolarHBondContact O-N 2.76Å; S167-K169 PolarHBondContact OG-N 2.87Å; S167-K169 PolarHBondContact OG-O 3.05Å; S167-S177 WeakPolarHBondContact OG-CB 3.23Å; S167-F178 PolarHBondContact OG-N 3.38Å; S167-F178 VanDerWaalsContact OG-N 3.14Å; S167-F178 PolarHBondContact OG-O 3.31Å; S167-P201 WeakPolarHBondContact O-CG 3.47Å
168T81Confident80.6Confident72 Ų7264.1 Ų64.144%0.44236%0.355SS..SBendtrans-112.4-14.3170.561.10000112.4F178 N180T168-F178 PolarHBondContact N-O 3.36Å; T168-N180 PolarHBondContact OG1-N 3.33Å
169K83.9Confident80.9Confident47 Ų4759.3 Ų59.320%0.20433%0.33CS..EExtended strand (participates in β ladder)trans-147.3134.2-178.3-64.3-175.8174.7-162.10110.5S167 F178 F183 Y198 V199S167-K169 PolarHBondContact OG-N 2.87Å; S167-K169 PolarHBondContact OG-O 3.05Å; K169-F178 PolarHBondContact N-O 3.1Å; K169-F178 VanDerWaalsContact N-O 3.13Å; K169-F178 PolarHBondContact O-N 2.89Å; K169-F183 HydrophobicContact CB-CD2 3.75Å; K169-F183 HydrophobicContact CB-CE2 4.07Å; K169-F183 HydrophobicContact CB-CG 4.37Å; K169-F183 HydrophobicContact CD-CD1 3.9Å; K169-F183 HydrophobicContact CD-CD2 3.84Å; K169-F183 HydrophobicContact CD-CE1 4.02Å; K169-F183 HydrophobicContact CD-CE2 3.97Å; K169-F183 HydrophobicContact CD-CG 3.83Å; K169-F183 HydrophobicContact CD-CZ 4.06Å; K169-F183 HydrophobicContact CG-CD2 4.43Å; K169-Y198 HydrophobicContact CB-CD2 4.22Å; K169-Y198 HydrophobicContact CD-CD2 3.68Å; K169-Y198 HydrophobicContact CD-CE2 3.6Å; K169-Y198 HydrophobicContact CG-CD2 4.02Å; K169-Y198 HydrophobicContact CG-CE2 4.22Å; K169-Y198 VanDerWaalsContact NZ-CE2 3.32Å; K169-Y198 PolarHBondContact NZ-OH 2.65Å; K169-V199 WeakPolarHBondContact CA-O 3.39Å
170S82.5Confident81Confident0 Ų060 Ų600%033%0.333CS..EExtended strand (participates in β ladder)trans-112.9126.3172.1-72.30000109A176 S177 Y198 V199 P201 T202S170-A176 WeakPolarHBondContact CA-O 3.45Å; S170-S177 PolarHBondContact OG-OG 2.85Å; S170-Y198 CarbonylContact O-C 3.43Å; S170-Y198 VanDerWaalsContact O-CA 3.28Å; S170-Y198 WeakPolarHBondContact O-CA 3.44Å; S170-V199 PolarHBondContact N-O 3.04Å; S170-V199 PolarHBondContact O-N 2.95Å; S170-P201 WeakPolarHBondContact OG-CA 3.48Å; S170-T202 PolarHBondContact OG-N 2.79Å; S170-T202 PolarHBondContact OG-O 2.63Å
171C84.3Confident80.9Confident0 Ų063.7 Ų63.70%035%0.348CS..EExtended strand (participates in β ladder)trans-95.4124.5-179.7176.10000109.7C174 S175 A176 F178 H187 H196 F205C171-C174 HydrophobicContact CB-CB 3.89Å; C171-C174 VanDerWaalsContact SG-CB 3.6Å; C171-C174 PolarHBondContact SG-N 2.92Å; C171-C174 VanDerWaalsContact SG-SG 3.6Å; C171-S175 WeakPolarHBondContact O-CA 3.25Å; C171-S175 PolarHBondContact O-N 2.81Å; C171-A176 PolarHBondContact N-O 2.9Å; C171-A176 PolarHBondContact O-N 2.81Å; C171-F178 HydrophobicContact CB-CD2 4.19Å; C171-F178 HydrophobicContact CB-CE2 3.68Å; C171-H187 PolarHBondContact SG-CE1 3.39Å; C171-H196 VanDerWaalsContact SG-CB 3.56Å; C171-F205 VanDerWaalsContact O-CD1 3.31Å; C171-F205 WeakPolarHBondContact O-CD1 3.45Å; C171-F205 WeakPolarHBondContact O-CE1 3.44Å
172M78Confident81.4Confident44 Ų4455.6 Ų55.622%0.21732%0.315CS..THydrogen-bonded Turntrans-68-47.3-177.1-60.5-59.9-75.300110.6C174 S175 E197 V199 F205M172-C174 PolarHBondContact O-N 3.37Å; M172-S175 PolarHBondContact O-N 2.91Å; M172-S175 VanDerWaalsContact O-N 3.08Å; M172-S175 PolarHBondContact O-OG 2.86Å; M172-E197 PolarHBondContact N-O 3.28Å; M172-V199 HydrophobicContact CG-CG2 4.31Å; M172-V199 HydrophobicContact SD-CG2 3.76Å; M172-F205 WeakPolarHBondContact CE-O 3.24Å; M172-F205 HydrophobicContact SD-CD1 4.35Å
173D79.9Confident82Confident101 Ų10150.8 Ų50.854%0.5428%0.282SS..THydrogen-bonded Turntrans-68.7-33.4-178.9-57.1-63.1000113.5S175 H196 E197D173-S175 VanDerWaalsContact C-N 3.33Å; D173-H196 HydrophobicContact CB-CB 3.99Å; D173-H196 WeakPolarHBondContact CB-ND1 3.25Å; D173-H196 WeakPolarHBondContact OD2-CA 3.32Å; D173-H196 VanDerWaalsContact OD2-CB 3.32Å; D173-H196 WeakPolarHBondContact OD2-CB 3.42Å; D173-H196 IonicContact OD2-CG 2.86Å; D173-E197 PolarHBondContact OD2-N 2.92Å
174C80.7Confident82.8Confident40 Ų4050.2 Ų50.227%0.2727%0.267SS..THydrogen-bonded Turntrans-82.1-12.8172.6-670000112.8C171 M172 A176 F178 H187 H196C171-C174 HydrophobicContact CB-CB 3.89Å; C171-C174 VanDerWaalsContact SG-CB 3.6Å; C171-C174 PolarHBondContact SG-N 2.92Å; C171-C174 VanDerWaalsContact SG-SG 3.6Å; M172-C174 PolarHBondContact O-N 3.37Å; C174-A176 HydrophobicContact CB-CB 4.42Å; C174-A176 PolarHBondContact O-N 3.32Å; C174-F178 HydrophobicContact CB-CE2 4.14Å; C174-F178 HydrophobicContact CB-CZ 4.05Å; C174-H187 PolarHBondContact SG-CE1 2.85Å; C174-H187 PolarHBondContact SG-NE2 3.4Å; C174-H196 PolarHBondContact SG-ND1 2.94Å
175S79.4Confident83.2Confident72 Ų7253 Ų5350%0.50328%0.278SS..THydrogen-bonded Turntrans47.640.4-172.6-66.70000113.9C171 M172 D173C171-S175 WeakPolarHBondContact O-CA 3.25Å; C171-S175 PolarHBondContact O-N 2.81Å; M172-S175 PolarHBondContact O-N 2.91Å; M172-S175 VanDerWaalsContact O-N 3.08Å; M172-S175 PolarHBondContact O-OG 2.86Å; D173-S175 VanDerWaalsContact C-N 3.33Å
176A82.6Confident83.1Confident17 Ų1752.9 Ų52.914%0.1427%0.273CS..EExtended strand (participates in β ladder)trans-144.2152.7-173.500000112.7S170 C171 C174 F178 F205S170-A176 WeakPolarHBondContact CA-O 3.45Å; C171-A176 PolarHBondContact N-O 2.9Å; C171-A176 PolarHBondContact O-N 2.81Å; C174-A176 HydrophobicContact CB-CB 4.42Å; C174-A176 PolarHBondContact O-N 3.32Å; A176-F178 HydrophobicContact CB-CE1 3.8Å; A176-F178 HydrophobicContact CB-CE2 4.24Å; A176-F178 HydrophobicContact CB-CZ 3.58Å; A176-F205 VanDerWaalsContact C-CZ 3.49Å; A176-F205 WeakPolarHBondContact O-CE1 3.4Å
177S85.1Confident83.2Confident3 Ų347.1 Ų47.12%0.02125%0.246CC..EExtended strand (participates in β ladder)trans-103.9131.7-178.5-73.10000111.1I155 C157 D158 S167 S170 T202I155-S177 WeakPolarHBondContact CG2-OG 3.34Å; C157-S177 WeakPolarHBondContact CA-O 3.5Å; D158-S177 PolarHBondContact N-O 2.81Å; D158-S177 PolarHBondContact OD2-N 3.12Å; S167-S177 WeakPolarHBondContact OG-CB 3.23Å; S170-S177 PolarHBondContact OG-OG 2.85Å; S177-T202 PolarHBondContact OG-O 2.94Å
178F86.1Confident83.2Confident3 Ų349.4 Ų49.41%0.01326%0.261CS..EExtended strand (participates in β ladder)trans-131134.4-171.2-53.7-59.5000111.8L159 S167 T168 K169 C171 C174 A176 C182 F183 Y186 H187L159-F178 HydrophobicContact CD1-CD1 3.71Å; L159-F178 HydrophobicContact CD1-CE1 3.36Å; L159-F178 HydrophobicContact CD1-CZ 4.42Å; L159-F178 HydrophobicContact CG-CD1 4.07Å; L159-F178 HydrophobicContact CG-CE1 3.8Å; S167-F178 PolarHBondContact OG-N 3.38Å; S167-F178 VanDerWaalsContact OG-N 3.14Å; S167-F178 PolarHBondContact OG-O 3.31Å; T168-F178 PolarHBondContact N-O 3.36Å; K169-F178 PolarHBondContact N-O 3.1Å; K169-F178 VanDerWaalsContact N-O 3.13Å; K169-F178 PolarHBondContact O-N 2.89Å; C171-F178 HydrophobicContact CB-CD2 4.19Å; C171-F178 HydrophobicContact CB-CE2 3.68Å; C174-F178 HydrophobicContact CB-CE2 4.14Å; C174-F178 HydrophobicContact CB-CZ 4.05Å; A176-F178 HydrophobicContact CB-CE1 3.8Å; A176-F178 HydrophobicContact CB-CE2 4.24Å; A176-F178 HydrophobicContact CB-CZ 3.58Å; F178-C182 HydrophobicContact CB-CB 4.49Å; F178-F183 HydrophobicContact CB-CB 3.88Å; F178-F183 HydrophobicContact CB-CD2 4.19Å; F178-F183 AromaticContact CD2-CD2 3.8Å; F178-F183 HydrophobicContact CD2-CD2 3.8Å; F178-F183 HydrophobicContact CD2-CE2 4.45Å; F178-F183 HydrophobicContact CG-CD2 4.41Å; F178-Y186 HydrophobicContact CZ-CD1 4.46Å; F178-H187 AromaticContact CE2-NE2 3.42Å; F178-H187 WeakPolarHBondContact CE2-NE2 3.3Å
179C88.6Confident82.9Confident5 Ų558.3 Ų58.33%0.03429%0.286CS..  trans-66.3160.9159.679.10000109.5C157 C160 Q165 E166 E181 C182 F183C157-C179 HydrophobicContact CB-CB 3.96Å; C157-C179 PolarHBondContact SG-N 2.78Å; C160-C179 VanDerWaalsContact SG-SG 3.65Å; Q165-C179 HydrophobicContact CB-CB 4.01Å; Q165-C179 PolarHBondContact OE1-SG 3.45Å; Q165-C179 VanDerWaalsContact OE1-SG 3.34Å; E166-C179 WeakPolarHBondContact O-CB 3.08Å; C179-E181 PolarHBondContact O-N 3.28Å; C179-C182 PolarHBondContact O-N 2.78Å; C179-F183 WeakPolarHBondContact O-CB 3.27Å; C179-F183 PolarHBondContact O-N 3.29Å
180N85.1Confident82.5Confident82 Ų8259.6 Ų59.644%0.43931%0.313SS..Hα-helixtrans-55.8-30.6-174.6-159.4-6.8000113.1T168 K184T168-N180 PolarHBondContact OG1-N 3.33Å; N180-K184 WeakPolarHBondContact O-CG 3.43Å; N180-K184 PolarHBondContact O-N 3.12Å
181E83.3Confident82.5Confident107 Ų10762.3 Ų62.350%0.533%0.33SS..Hα-helixtrans-80-48.6-179.8-154.760.9-167.600112.4C179 F183 K184 I185C179-E181 PolarHBondContact O-N 3.28Å; E181-F183 PolarHBondContact O-N 2.95Å; E181-K184 PolarHBondContact O-N 2.64Å; E181-K184 IonicContact OE2-NZ 3.89Å; E181-K184 PolarHBondContact OE2-NZ 2.71Å; E181-I185 WeakPolarHBondContact O-CG1 3.22Å; E181-I185 PolarHBondContact O-N 3.29Å
182C85.3Confident82.1Confident20 Ų2067.9 Ų67.914%0.13536%0.364CS..Hα-helixtrans-59.9-35.1173.2-69.20000112.1L159 F178 C179 I185 Y186L159-C182 HydrophobicContact CB-CB 4.19Å; F178-C182 HydrophobicContact CB-CB 4.49Å; C179-C182 PolarHBondContact O-N 2.78Å; C182-I185 PolarHBondContact O-N 2.76Å; C182-Y186 PolarHBondContact O-N 2.84Å
183F85.4Confident82.2Confident21 Ų2170.2 Ų70.29%0.09237%0.373CS..Hα-helixtrans-59-49.4176.2-172.5-88.3000111.7K169 F178 C179 E181 I185 Y186 H187 Y198K169-F183 HydrophobicContact CB-CD2 3.75Å; K169-F183 HydrophobicContact CB-CE2 4.07Å; K169-F183 HydrophobicContact CB-CG 4.37Å; K169-F183 HydrophobicContact CD-CD1 3.9Å; K169-F183 HydrophobicContact CD-CD2 3.84Å; K169-F183 HydrophobicContact CD-CE1 4.02Å; K169-F183 HydrophobicContact CD-CE2 3.97Å; K169-F183 HydrophobicContact CD-CG 3.83Å; K169-F183 HydrophobicContact CD-CZ 4.06Å; K169-F183 HydrophobicContact CG-CD2 4.43Å; F178-F183 HydrophobicContact CB-CB 3.88Å; F178-F183 HydrophobicContact CB-CD2 4.19Å; F178-F183 AromaticContact CD2-CD2 3.8Å; F178-F183 HydrophobicContact CD2-CD2 3.8Å; F178-F183 HydrophobicContact CD2-CE2 4.45Å; F178-F183 HydrophobicContact CG-CD2 4.41Å; C179-F183 WeakPolarHBondContact O-CB 3.27Å; C179-F183 PolarHBondContact O-N 3.29Å; E181-F183 PolarHBondContact O-N 2.95Å; F183-I185 VanDerWaalsContact C-N 3.29Å; F183-I185 PolarHBondContact O-N 2.97Å; F183-Y186 PolarHBondContact O-N 3.3Å; F183-H187 HydrophobicContact CD1-CB 4.34Å; F183-H187 AromaticContact CD2-CD2 3.99Å; F183-H187 HydrophobicContact CE1-CB 3.99Å; F183-H187 AromaticContact CE2-CD2 3.87Å; F183-H187 HydrophobicContact CZ-CB 4.15Å; F183-H187 WeakPolarHBondContact O-CA 3.35Å; F183-H187 VanDerWaalsContact O-CB 3.31Å; F183-H187 WeakPolarHBondContact O-CB 3.37Å; F183-H187 PolarHBondContact O-N 2.97Å; F183-Y198 HydrophobicContact CE2-CD1 4.29Å; F183-Y198 HydrophobicContact CE2-CD2 4.44Å; F183-Y198 AromaticContact CE2-CG 3.96Å; F183-Y198 HydrophobicContact CE2-CG 3.96Å; F183-Y198 AromaticContact CZ-CD1 3.64Å; F183-Y198 HydrophobicContact CZ-CD1 3.64Å; F183-Y198 HydrophobicContact CZ-CD2 4.3Å; F183-Y198 HydrophobicContact CZ-CE1 4.07Å; F183-Y198 AromaticContact CZ-CG 3.75Å; F183-Y198 HydrophobicContact CZ-CG 3.75Å
184K83.9Confident82.2Confident106 Ų10667.5 Ų67.546%0.46136%0.364SS..Hα-helixtrans-63.2-35179.2-64.4166.2-1611600112.7N180 E181 H187 P188N180-K184 WeakPolarHBondContact O-CG 3.43Å; N180-K184 PolarHBondContact O-N 3.12Å; E181-K184 PolarHBondContact O-N 2.64Å; E181-K184 IonicContact OE2-NZ 3.89Å; E181-K184 PolarHBondContact OE2-NZ 2.71Å; K184-H187 CarbonylContact O-C 3.52Å; K184-P188 WeakPolarHBondContact O-CA 3.29Å
185I84.2Confident82Confident119 Ų11973.5 Ų73.561%0.6139%0.388SS*.Hα-helixtrans-70.4-39.5179.3-64.6166000111E181 C182 F183E181-I185 WeakPolarHBondContact O-CG1 3.22Å; E181-I185 PolarHBondContact O-N 3.29Å; C182-I185 PolarHBondContact O-N 2.76Å; F183-I185 VanDerWaalsContact C-N 3.29Å; F183-I185 PolarHBondContact O-N 2.97Å
186Y79.8Confident82.2Confident109 Ų10972.2 Ų72.243%0.42737%0.374SS..Hα-helixtrans-86.8-23.5-180-113.6-110.9000114.5L159 F178 C182 F183 P188 K193L159-Y186 HydrophobicContact CD1-CD1 4.18Å; L159-Y186 HydrophobicContact CD1-CD2 3.35Å; L159-Y186 HydrophobicContact CD1-CE1 4.31Å; L159-Y186 HydrophobicContact CD1-CE2 3.5Å; L159-Y186 HydrophobicContact CD1-CG 3.71Å; L159-Y186 HydrophobicContact CD2-CE2 4.36Å; F178-Y186 HydrophobicContact CZ-CD1 4.46Å; C182-Y186 PolarHBondContact O-N 2.84Å; F183-Y186 PolarHBondContact O-N 3.3Å; Y186-P188 WeakPolarHBondContact O-CD 3.34Å; Y186-K193 WeakPolarHBondContact O-CD 3.24Å
187H85.6Confident82Confident12 Ų1277.8 Ų77.86%0.05640%0.397CS..SBendtrans-121.559177.7-61.4-94.2000111.8C171 C174 F178 F183 K184 K193 H196C171-H187 PolarHBondContact SG-CE1 3.39Å; C174-H187 PolarHBondContact SG-CE1 2.85Å; C174-H187 PolarHBondContact SG-NE2 3.4Å; F178-H187 AromaticContact CE2-NE2 3.42Å; F178-H187 WeakPolarHBondContact CE2-NE2 3.3Å; F183-H187 HydrophobicContact CD1-CB 4.34Å; F183-H187 AromaticContact CD2-CD2 3.99Å; F183-H187 HydrophobicContact CE1-CB 3.99Å; F183-H187 AromaticContact CE2-CD2 3.87Å; F183-H187 HydrophobicContact CZ-CB 4.15Å; F183-H187 WeakPolarHBondContact O-CA 3.35Å; F183-H187 VanDerWaalsContact O-CB 3.31Å; F183-H187 WeakPolarHBondContact O-CB 3.37Å; F183-H187 PolarHBondContact O-N 2.97Å; K184-H187 CarbonylContact O-C 3.52Å; H187-K193 PolarHBondContact ND1-O 2.74Å; H187-H196 AromaticContact CE1-CG 3.95Å; H187-H196 AromaticContact CE1-ND1 3.6Å
188P82.6Confident81.8Confident57 Ų5783.1 Ų83.137%0.3742%0.418SS..  trans-68.1137.6179.528.4-33.8000111.1K184 Y186 T191K184-P188 WeakPolarHBondContact O-CA 3.29Å; Y186-P188 WeakPolarHBondContact O-CD 3.34Å; P188-T191 HydrophobicContact CG-CG2 3.86Å; P188-T191 PolarHBondContact O-N 2.87Å; P188-T191 PolarHBondContact O-OG1 3.1Å
189W75.2Confident81.5Confident259 Ų25985.6 Ų85.698%0.98143%0.433SS*.THydrogen-bonded Turntrans-57.5139.2-175.3-170.167.8000112.2
190G75.1Confident80.7Confident75 Ų7587.7 Ų87.777%0.77346%0.456SS*.THydrogen-bonded Turntrans85.8-0.6-175.900000115.7
191T81.6Confident80.1Confident57 Ų5786.6 Ų86.635%0.3545%0.453SS..SBendtrans-97.3160.3173.1660000112.7P188 K193 A194P188-T191 HydrophobicContact CG-CG2 3.86Å; P188-T191 PolarHBondContact O-N 2.87Å; P188-T191 PolarHBondContact O-OG1 3.1Å; T191-K193 PolarHBondContact O-N 2.96Å; T191-A194 WeakPolarHBondContact O-CB 3.43Å; T191-A194 PolarHBondContact O-N 3.35Å; T191-A194 PolarHBondContact OG1-N 2.93Å
192V77.7Confident79.3Confident116 Ų11683.1 Ų83.170%0.70344%0.439SS*.G310 helixtrans-55.1-36172.2-175.80000111.1A194 Q195V192-A194 VanDerWaalsContact C-N 3.26Å; V192-A194 PolarHBondContact O-N 3.35Å; V192-Q195 WeakPolarHBondContact O-CB 3.49Å; V192-Q195 PolarHBondContact O-N 2.86Å; V192-Q195 VanDerWaalsContact O-N 3.08Å
193K79.7Confident78.3Confident93 Ų9386.5 Ų86.540%0.40446%0.459SS..G310 helixtrans-63-28.9175.8-67.9-168.5176.8-1740113.5Y186 H187 T191 Q195 H196Y186-K193 WeakPolarHBondContact O-CD 3.24Å; H187-K193 PolarHBondContact ND1-O 2.74Å; T191-K193 PolarHBondContact O-N 2.96Å; K193-Q195 PolarHBondContact O-N 3.17Å; K193-H196 WeakPolarHBondContact O-CB 3.33Å; K193-H196 VanDerWaalsContact O-CG 3.31Å; K193-H196 PolarHBondContact O-N 3.04Å; K193-H196 VanDerWaalsContact O-N 3.17Å
194A78.5Confident77.2Confident44 Ų4487.7 Ų87.736%0.36447%0.467SS..G310 helixtrans-69.8-10.8176.300000113.7T191 V192T191-A194 WeakPolarHBondContact O-CB 3.43Å; T191-A194 PolarHBondContact O-N 3.35Å; T191-A194 PolarHBondContact OG1-N 2.93Å; V192-A194 VanDerWaalsContact C-N 3.26Å; V192-A194 PolarHBondContact O-N 3.35Å
195Q77.4Confident76.2Confident167 Ų16784.5 Ų84.578%0.7845%0.453SS*.G310 helixtrans-91.1-3.2173.7-59.6-177.3-11.100113.4V192 K193V192-Q195 WeakPolarHBondContact O-CB 3.49Å; V192-Q195 PolarHBondContact O-N 2.86Å; V192-Q195 VanDerWaalsContact O-N 3.08Å; K193-Q195 PolarHBondContact O-N 3.17Å
196H83.6Confident75.1Confident45 Ų4586 Ų8621%0.20845%0.451CS..SBendtrans-64.4141.7179.1-69.3-163.3000111.6C171 D173 C174 H187 K193 Y198C171-H196 VanDerWaalsContact SG-CB 3.56Å; D173-H196 HydrophobicContact CB-CB 3.99Å; D173-H196 WeakPolarHBondContact CB-ND1 3.25Å; D173-H196 WeakPolarHBondContact OD2-CA 3.32Å; D173-H196 VanDerWaalsContact OD2-CB 3.32Å; D173-H196 WeakPolarHBondContact OD2-CB 3.42Å; D173-H196 IonicContact OD2-CG 2.86Å; C174-H196 PolarHBondContact SG-ND1 2.94Å; H187-H196 AromaticContact CE1-CG 3.95Å; H187-H196 AromaticContact CE1-ND1 3.6Å; K193-H196 WeakPolarHBondContact O-CB 3.33Å; K193-H196 VanDerWaalsContact O-CG 3.31Å; K193-H196 PolarHBondContact O-N 3.04Å; K193-H196 VanDerWaalsContact O-N 3.17Å; H196-Y198 PolarHBondContact O-N 2.7Å
197E78.3Confident74Confident133 Ų13385.7 Ų85.762%0.62146%0.462SS*.  trans-71.9127177.3-168.5178.6170.100110M172 D173M172-E197 PolarHBondContact N-O 3.28Å; D173-E197 PolarHBondContact OD2-N 2.92Å
198Y80.8Confident72.9Confident115 Ų11591.4 Ų91.445%0.45149%0.487SS..EExtended strand (participates in β ladder)trans-130.2142.9177.473.3-89.7000111.8K169 S170 F183 H196K169-Y198 HydrophobicContact CB-CD2 4.22Å; K169-Y198 HydrophobicContact CD-CD2 3.68Å; K169-Y198 HydrophobicContact CD-CE2 3.6Å; K169-Y198 HydrophobicContact CG-CD2 4.02Å; K169-Y198 HydrophobicContact CG-CE2 4.22Å; K169-Y198 VanDerWaalsContact NZ-CE2 3.32Å; K169-Y198 PolarHBondContact NZ-OH 2.65Å; S170-Y198 CarbonylContact O-C 3.43Å; S170-Y198 VanDerWaalsContact O-CA 3.28Å; S170-Y198 WeakPolarHBondContact O-CA 3.44Å; F183-Y198 HydrophobicContact CE2-CD1 4.29Å; F183-Y198 HydrophobicContact CE2-CD2 4.44Å; F183-Y198 AromaticContact CE2-CG 3.96Å; F183-Y198 HydrophobicContact CE2-CG 3.96Å; F183-Y198 AromaticContact CZ-CD1 3.64Å; F183-Y198 HydrophobicContact CZ-CD1 3.64Å; F183-Y198 HydrophobicContact CZ-CD2 4.3Å; F183-Y198 HydrophobicContact CZ-CE1 4.07Å; F183-Y198 AromaticContact CZ-CG 3.75Å; F183-Y198 HydrophobicContact CZ-CG 3.75Å; H196-Y198 PolarHBondContact O-N 2.7Å
199V79.4Confident72.2Confident56 Ų5691.4 Ų91.434%0.33949%0.486SS..EExtended strand (participates in β ladder)trans-123176.9-178.6-68.10000110K169 S170 M172 T202K169-V199 WeakPolarHBondContact CA-O 3.39Å; S170-V199 PolarHBondContact N-O 3.04Å; S170-V199 PolarHBondContact O-N 2.95Å; M172-V199 HydrophobicContact CG-CG2 4.31Å; M172-V199 HydrophobicContact SD-CG2 3.76Å; V199-T202 HydrophobicContact CG2-CG2 3.91Å
200G72.6Confident72.3Confident49 Ų4982.6 Ų82.651%0.50546%0.457SS..SBendtrans-60.5164.9167.400000111.8T202G200-T202 PolarHBondContact O-N 3.45Å
201P71.6Confident72.5Confident58 Ų5882.3 Ų82.338%0.37744%0.437SS..SBendtrans-52.2123.2-174.4-27.635.9000112.7I155 S167 S170I155-P201 HydrophobicContact CB-CB 4.04Å; I155-P201 HydrophobicContact CD1-CB 4.08Å; I155-P201 WeakPolarHBondContact CD1-O 3.42Å; I155-P201 HydrophobicContact CG2-CB 4.47Å; S167-P201 WeakPolarHBondContact O-CG 3.47Å; S170-P201 WeakPolarHBondContact OG-CA 3.48Å
202T66.8Low72.5Confident35 Ų3580 Ų8022%0.21542%0.422CS..  trans-146149.7178.6-164.30000111.7S170 S177 V199 G200 N204 F205S170-T202 PolarHBondContact OG-N 2.79Å; S170-T202 PolarHBondContact OG-O 2.63Å; S177-T202 PolarHBondContact OG-O 2.94Å; V199-T202 HydrophobicContact CG2-CG2 3.91Å; G200-T202 PolarHBondContact O-N 3.45Å; T202-N204 PolarHBondContact OG1-N 2.76Å; T202-F205 VanDerWaalsContact O-CZ 3.27Å; T202-F205 WeakPolarHBondContact O-CZ 3.02Å
203T64.9Low72.5Confident90 Ų9075.6 Ų75.655%0.55240%0.396SS*.SBendtrans-90.5-5.8169.250.40000112.4I155I155-T203 HydrophobicContact CD1-CG2 4.1Å; I155-T203 HydrophobicContact CG1-CG2 4.28Å
204N62.5Low72.4Confident47 Ų4773.1 Ų73.125%0.25139%0.386SS..  trans-111.771-167.8-70-51.4000112.6T202 R206T202-N204 PolarHBondContact OG1-N 2.76Å; N204-R206 PolarHBondContact O-N 3.4Å; N204-R206 VanDerWaalsContact O-N 3.1Å
205F62.1Low72.4Confident39 Ų3973.3 Ų73.317%0.17138%0.38CS..  trans-73.78.3-177.3-55.4-83.5000115.8C171 M172 A176 T202C171-F205 VanDerWaalsContact O-CD1 3.31Å; C171-F205 WeakPolarHBondContact O-CD1 3.45Å; C171-F205 WeakPolarHBondContact O-CE1 3.44Å; M172-F205 WeakPolarHBondContact CE-O 3.24Å; M172-F205 HydrophobicContact SD-CD1 4.35Å; A176-F205 VanDerWaalsContact C-CZ 3.49Å; A176-F205 WeakPolarHBondContact O-CE1 3.4Å; T202-F205 VanDerWaalsContact O-CZ 3.27Å; T202-F205 WeakPolarHBondContact O-CZ 3.02Å
206R61.1Low72.2Confident150 Ų15073.2 Ų73.257%0.56638%0.379SS*.SBendtrans-95.1137.7-174.9-71.8179.6172.8162.2-0.4111.6N204 K208N204-R206 PolarHBondContact O-N 3.4Å; N204-R206 VanDerWaalsContact O-N 3.1Å; R206-K208 PolarHBondContact O-N 3.47Å
207P57Low71.9Confident102 Ų10277 Ų7766%0.66241%0.405SS*.  trans-56.6126.3172.7-2534.1000111.7V209P207-V209 HydrophobicContact CB-CG2 4.41Å; P207-V209 PolarHBondContact O-N 2.86Å
208K62Low72.1Confident133 Ų13373 Ų7358%0.57839%0.387SS*.  trans-78.842.8179.6-62.4-171.4178.2-170.70112.8T140 R206T140-K208 PolarHBondContact OG1-NZ 3.24Å; R206-K208 PolarHBondContact O-N 3.47Å
209V68.5Low72.2Confident57 Ų5775.4 Ų75.435%0.34540%0.395SS..  trans-102.2127-179.6-175.20000109.3P207 M211 R219P207-V209 HydrophobicContact CB-CG2 4.41Å; P207-V209 PolarHBondContact O-N 2.86Å; V209-M211 HydrophobicContact CB-SD 4.37Å; V209-M211 HydrophobicContact CG1-SD 3.83Å; V209-M211 PolarHBondContact O-N 2.84Å; V209-M211 VanDerWaalsContact O-N 3.08Å; V209-R219 HydrophobicContact CG1-CG 3.89Å
210L76.3Confident72.4Confident73 Ų7373.9 Ų73.938%0.38239%0.385SS..  trans-72.699.7172.6-80.9165.3000110F136 I220F136-L210 HydrophobicContact CD2-CD2 3.75Å; F136-L210 HydrophobicContact CD2-CG 3.95Å; F136-L210 HydrophobicContact CE2-CD2 3.78Å; F136-L210 HydrophobicContact CE2-CG 4.12Å; L210-I220 HydrophobicContact CB-CB 4.32Å; L210-I220 HydrophobicContact CB-CD1 3.86Å; L210-I220 HydrophobicContact CB-CG1 4.34Å; L210-I220 WeakPolarHBondContact O-CG1 3.18Å; L210-I220 PolarHBondContact O-N 3.11Å
211M80.7Confident73Confident70 Ų7075.2 Ų75.235%0.34538%0.38SS..EExtended strand (participates in β ladder)trans-82.9153.8169-54.5-52.2-68.100110.3V209 P213 E216 T217 E218 R219V209-M211 HydrophobicContact CB-SD 4.37Å; V209-M211 HydrophobicContact CG1-SD 3.83Å; V209-M211 PolarHBondContact O-N 2.84Å; V209-M211 VanDerWaalsContact O-N 3.08Å; M211-P213 WeakPolarHBondContact O-CD 3.12Å; M211-E216 VanDerWaalsContact CE-O 3.22Å; M211-E216 WeakPolarHBondContact CE-O 3.25Å; M211-T217 VanDerWaalsContact CE-O 3.28Å; M211-T217 WeakPolarHBondContact CE-O 3.43Å; M211-E218 CarbonylContact C-O 3.6Å; M211-E218 WeakPolarHBondContact CA-O 3.48Å; M211-E218 VanDerWaalsContact CE-C 3.48Å; M211-E218 WeakPolarHBondContact CE-O 3.34Å; M211-R219 HydrophobicContact CE-CG 4.14Å; M211-R219 HydrophobicContact SD-CG 3.83Å
212C82Confident73.8Confident7 Ų774.9 Ų74.95%0.04737%0.374CS..EExtended strand (participates in β ladder)trans-77.2126.7179-175.70000111.6E214 H215 E216 E218 C232 C235C212-E214 PolarHBondContact O-N 3.43Å; C212-E214 VanDerWaalsContact O-N 3.12Å; C212-E214 PolarHBondContact SG-N 3.48Å; C212-E214 VanDerWaalsContact SG-N 3.41Å; C212-H215 HydrophobicContact CB-CB 4.09Å; C212-H215 CarbonylContact O-C 3.56Å; C212-H215 PolarHBondContact O-N 2.86Å; C212-H215 VanDerWaalsContact O-N 3.09Å; C212-E216 PolarHBondContact O-N 3.02Å; C212-E218 PolarHBondContact N-O 3.09Å; C212-C232 HydrophobicContact CB-CB 3.91Å; C212-C232 VanDerWaalsContact SG-SG 3.63Å; C212-C235 PolarHBondContact SG-SG 3.13Å
213P77.4Confident74.8Confident24 Ų2474.9 Ų74.916%0.15637%0.371CS..THydrogen-bonded Turntrans-63.4-13.7173.8-22.633.1000114.4G131 F133 M211G131-P213 WeakPolarHBondContact O-CB 3.4Å; F133-P213 HydrophobicContact CD1-CG 3.67Å; F133-P213 HydrophobicContact CD2-CG 4.49Å; F133-P213 HydrophobicContact CE1-CG 3.48Å; F133-P213 VanDerWaalsContact CE1-CG 3.48Å; F133-P213 HydrophobicContact CE2-CG 4.34Å; F133-P213 HydrophobicContact CG-CG 4.19Å; F133-P213 HydrophobicContact CZ-CG 3.85Å; M211-P213 WeakPolarHBondContact O-CD 3.12Å
214E76.4Confident75.9Confident42 Ų4270.6 Ų70.620%0.19634%0.344CS..THydrogen-bonded Turntrans-97.1-21.2175.3-43-157.8117.600113.1R127 C212 C235R127-E214 IonicContact CZ-OE1 2.73Å; R127-E214 IonicContact NH1-OE1 2.69Å; R127-E214 IonicContact NH2-OE1 2.7Å; R127-E214 PolarHBondContact NH2-OE1 3.45Å; C212-E214 PolarHBondContact O-N 3.43Å; C212-E214 VanDerWaalsContact O-N 3.12Å; C212-E214 PolarHBondContact SG-N 3.48Å; C212-E214 VanDerWaalsContact SG-N 3.41Å; E214-C235 PolarHBondContact OE2-SG 3.4Å
215H79.3Confident77Confident48 Ų4871.3 Ų71.322%0.22235%0.346CS..EExtended strand (participates in β ladder)trans-143.383.7-173.2-57.1100000108C212 T217 E218 C232 L234 C235C212-H215 HydrophobicContact CB-CB 4.09Å; C212-H215 CarbonylContact O-C 3.56Å; C212-H215 PolarHBondContact O-N 2.86Å; C212-H215 VanDerWaalsContact O-N 3.09Å; H215-T217 PolarHBondContact O-N 3.26Å; H215-E218 HydrophobicContact CB-CB 3.86Å; H215-E218 HydrophobicContact CB-CG 4.12Å; H215-E218 WeakPolarHBondContact O-CB 3.42Å; H215-E218 PolarHBondContact O-N 3.06Å; H215-C232 PolarHBondContact ND1-SG 3.31Å; H215-C232 VanDerWaalsContact ND1-SG 3.44Å; H215-L234 HydrophobicContact CB-CD1 4.32Å; H215-C235 PolarHBondContact ND1-SG 3.09Å; H215-C235 VanDerWaalsContact ND1-SG 3.41Å
216E73.7Confident78.1Confident165 Ų16575 Ų7577%0.77137%0.367SS*.EExtended strand (participates in β ladder)trans-58.8-27.9-166.1-59.8-174.4162.300114.3M211 C212 E218M211-E216 VanDerWaalsContact CE-O 3.22Å; M211-E216 WeakPolarHBondContact CE-O 3.25Å; C212-E216 PolarHBondContact O-N 3.02Å; E216-E218 VanDerWaalsContact C-N 3.35Å
217T77.6Confident79Confident123 Ų12370.2 Ų70.276%0.75536%0.356SS*.EExtended strand (participates in β ladder)trans-81.1-11.8176.855.30000113.8M211 H215M211-T217 VanDerWaalsContact CE-O 3.28Å; M211-T217 WeakPolarHBondContact CE-O 3.43Å; H215-T217 PolarHBondContact O-N 3.26Å
218E81.6Confident80.3Confident50 Ų5074.7 Ų74.723%0.23436%0.36CS..EExtended strand (participates in β ladder)trans-101.8135.7-171.7-77.8-56.7147.300114.5M211 C212 H215 E216 C232 H233 L234M211-E218 CarbonylContact C-O 3.6Å; M211-E218 WeakPolarHBondContact CA-O 3.48Å; M211-E218 VanDerWaalsContact CE-C 3.48Å; M211-E218 WeakPolarHBondContact CE-O 3.34Å; C212-E218 PolarHBondContact N-O 3.09Å; H215-E218 HydrophobicContact CB-CB 3.86Å; H215-E218 HydrophobicContact CB-CG 4.12Å; H215-E218 WeakPolarHBondContact O-CB 3.42Å; H215-E218 PolarHBondContact O-N 3.06Å; E216-E218 VanDerWaalsContact C-N 3.35Å; E218-C232 HydrophobicContact CB-CB 3.96Å; E218-H233 IonicContact OE1-CE1 2.73Å; E218-H233 PolarHBondContact OE1-CE1 3.09Å; E218-H233 IonicContact OE2-CE1 3.98Å; E218-H233 PolarHBondContact OE2-CE1 3.26Å; E218-H233 IonicContact OE2-ND1 3.77Å; E218-H233 PolarHBondContact OE2-ND1 2.87Å; E218-H233 VanDerWaalsContact OE2-ND1 3.1Å; E218-L234 HydrophobicContact CG-CD1 3.58Å; E218-L234 HydrophobicContact CG-CG 3.95Å
219R82.8Confident81.2Confident165 Ų16573.1 Ų73.162%0.62335%0.35SS*.EExtended strand (participates in β ladder)trans-81.2140.9175.7-64-178.2-179.2174.10.2110.3V209 M211 N221 C232V209-R219 HydrophobicContact CG1-CG 3.89Å; M211-R219 HydrophobicContact CE-CG 4.14Å; M211-R219 HydrophobicContact SD-CG 3.83Å; R219-N221 PolarHBondContact O-N 3.38Å; R219-C232 VanDerWaalsContact O-CB 3.32Å; R219-C232 WeakPolarHBondContact O-CB 3.23Å
220I84.5Confident82.1Confident24 Ų2472.1 Ų72.112%0.12335%0.345CS..PPolyproline II helixtrans-68.6126.7168.3-64.5180000109.1F133 L210 P230 M249F133-I220 HydrophobicContact CD1-CD1 4.12Å; F133-I220 HydrophobicContact CE1-CD1 3.44Å; F133-I220 VanDerWaalsContact CE1-CD1 3.44Å; F133-I220 HydrophobicContact CZ-CD1 4.31Å; L210-I220 HydrophobicContact CB-CB 4.32Å; L210-I220 HydrophobicContact CB-CD1 3.86Å; L210-I220 HydrophobicContact CB-CG1 4.34Å; L210-I220 WeakPolarHBondContact O-CG1 3.18Å; L210-I220 PolarHBondContact O-N 3.11Å; I220-P230 HydrophobicContact CD1-CB 4.03Å; I220-P230 HydrophobicContact CD1-CG 4.39Å; I220-P230 HydrophobicContact CG2-CB 3.47Å; I220-P230 VanDerWaalsContact CG2-CB 3.47Å; I220-M249 HydrophobicContact CG2-SD 4.48Å
221N84.9Confident82.5Confident77 Ų7768.9 Ų68.941%0.41233%0.328SS..  trans-141.1-0.5179.662.7-10.3000114R219 V231 H233 M249R219-N221 PolarHBondContact O-N 3.38Å; N221-V231 PolarHBondContact N-O 2.8Å; N221-H233 PolarHBondContact OD1-N 3.18Å; N221-M249 VanDerWaalsContact O-CG 3.29Å; N221-M249 WeakPolarHBondContact O-CG 3.49Å; N221-M249 PolarHBondContact O-N 3.37Å
222M87.1Confident82.9Confident52 Ų5265.6 Ų65.626%0.25631%0.312SS..EExtended strand (participates in β ladder)trans-136.6157.3-174.6-66.3-67.6-88.400111.7V231 V246 T248M222-V231 HydrophobicContact CB-CG2 3.97Å; M222-V231 PolarHBondContact N-O 3.13Å; M222-V231 VanDerWaalsContact N-O 3.1Å; M222-V231 PolarHBondContact O-N 3.46Å; M222-V246 HydrophobicContact CB-CG1 3.58Å; M222-V246 HydrophobicContact CE-CG1 3.95Å; M222-V246 HydrophobicContact CG-CG1 4.36Å; M222-T248 HydrophobicContact SD-CG2 4.29Å
223Y88.7Confident82.9Confident35 Ų3568.5 Ų68.514%0.13733%0.325CS..EExtended strand (participates in β ladder)trans-122.5124.3-179.9-178.3-101.8000111.4E225 R228 V246 T247 A252 L256Y223-E225 HydrophobicContact CD1-CG 4.11Å; Y223-E225 HydrophobicContact CE1-CG 4.25Å; Y223-R228 WeakPolarHBondContact CE2-O 3.21Å; Y223-R228 VanDerWaalsContact OH-C 3.31Å; Y223-R228 VanDerWaalsContact OH-CA 3.26Å; Y223-R228 WeakPolarHBondContact OH-CA 3.26Å; Y223-R228 PolarHBondContact OH-O 2.89Å; Y223-V246 CarbonylContact O-C 3.6Å; Y223-V246 VanDerWaalsContact O-CA 3.23Å; Y223-V246 WeakPolarHBondContact O-CA 3.45Å; Y223-V246 VanDerWaalsContact O-CG1 3.31Å; Y223-V246 WeakPolarHBondContact O-CG1 3.44Å; Y223-T247 PolarHBondContact N-O 3.3Å; Y223-T247 PolarHBondContact O-N 3.18Å; Y223-A252 HydrophobicContact CD1-CB 3.77Å; Y223-A252 HydrophobicContact CD2-CB 4.35Å; Y223-A252 HydrophobicContact CG-CB 3.64Å; Y223-L256 HydrophobicContact CE2-CD1 4.36Å
224C88.3Confident83.3Confident0 Ų070.1 Ų70.10%033%0.332CS..EExtended strand (participates in β ladder)trans-86.9117.7175.3-1800000110.3C227 R228 R229 V231 H241 H244 V246C224-C227 HydrophobicContact CB-CB 4.34Å; C224-C227 PolarHBondContact SG-N 2.99Å; C224-R228 CarbonylContact O-C 3.55Å; C224-R228 VanDerWaalsContact O-CA 3.23Å; C224-R228 WeakPolarHBondContact O-CA 3.46Å; C224-R228 PolarHBondContact O-N 3.04Å; C224-R229 PolarHBondContact N-O 3.18Å; C224-R229 PolarHBondContact O-N 3.44Å; C224-V231 HydrophobicContact CB-CG1 4.08Å; C224-V231 HydrophobicContact CB-CG2 4.35Å; C224-H241 WeakPolarHBondContact CB-CE1 3.45Å; C224-H241 PolarHBondContact SG-CE1 2.93Å; C224-H241 PolarHBondContact SG-ND1 2.82Å; C224-H244 VanDerWaalsContact SG-CB 3.53Å; C224-V246 HydrophobicContact CB-CG2 4.29Å
225E85.2Confident83.6Confident62 Ų6268.2 Ų68.229%0.2932%0.323SS..THydrogen-bonded Turntrans-75.3-33.5-176.2-65.9-179.2-176.200113Y223 R228 R245 T247Y223-E225 HydrophobicContact CD1-CG 4.11Å; Y223-E225 HydrophobicContact CE1-CG 4.25Å; E225-R228 WeakPolarHBondContact O-CG 3.39Å; E225-R245 PolarHBondContact N-O 2.85Å; E225-R245 IonicContact OE2-CZ 3.94Å; E225-R245 IonicContact OE2-NE 2.81Å; E225-R245 PolarHBondContact OE2-NE 3.29Å; E225-R245 IonicContact OE2-NH2 3.6Å; E225-R245 PolarHBondContact OE2-NH2 2.92Å; E225-T247 WeakPolarHBondContact OE1-CG2 3.47Å; E225-T247 PolarHBondContact OE1-OG1 3.36Å
226L85.3Confident83.7Confident116 Ų11669.3 Ų69.361%0.60733%0.327SS*.THydrogen-bonded Turntrans-71.3-46.3179.3-66.2175.9000111.6R228 H244L226-R228 VanDerWaalsContact C-N 3.28Å; L226-R228 PolarHBondContact O-N 3.36Å; L226-H244 HydrophobicContact CD1-CB 4.08Å
227C80.5Confident84.1Confident50 Ų5068 Ų6834%0.33832%0.324SS..THydrogen-bonded Turntrans-86.31.5177.2-54.10000113.6C224 R229 H241 H244C224-C227 HydrophobicContact CB-CB 4.34Å; C224-C227 PolarHBondContact SG-N 2.99Å; C227-R229 HydrophobicContact CB-CG 3.89Å; C227-R229 PolarHBondContact O-N 3.42Å; C227-H241 WeakPolarHBondContact CB-NE2 3.4Å; C227-H241 VanDerWaalsContact SG-CE1 3.5Å; C227-H241 PolarHBondContact SG-NE2 3.38Å; C227-H244 PolarHBondContact SG-CE1 2.86Å; C227-H244 PolarHBondContact SG-ND1 2.92Å; C227-H244 VanDerWaalsContact SG-ND1 3.38Å
228R83.6Confident83.8Confident196 Ų19665.6 Ų65.674%0.7432%0.324SS*.THydrogen-bonded Turntrans47.528.9-177.4-58.2-174-179.3-1682.3115.5Y223 C224 E225 L226Y223-R228 WeakPolarHBondContact CE2-O 3.21Å; Y223-R228 VanDerWaalsContact OH-C 3.31Å; Y223-R228 VanDerWaalsContact OH-CA 3.26Å; Y223-R228 WeakPolarHBondContact OH-CA 3.26Å; Y223-R228 PolarHBondContact OH-O 2.89Å; C224-R228 CarbonylContact O-C 3.55Å; C224-R228 VanDerWaalsContact O-CA 3.23Å; C224-R228 WeakPolarHBondContact O-CA 3.46Å; C224-R228 PolarHBondContact O-N 3.04Å; E225-R228 WeakPolarHBondContact O-CG 3.39Å; L226-R228 VanDerWaalsContact C-N 3.28Å; L226-R228 PolarHBondContact O-N 3.36Å
229R81.7Confident83.6Confident99 Ų9964 Ų6437%0.37432%0.321SS..EExtended strand (participates in β ladder)trans-129.3148.2-171.573.1-177.9-177172.3-2.2114C224 C227 V231 H241C224-R229 PolarHBondContact N-O 3.18Å; C224-R229 PolarHBondContact O-N 3.44Å; C227-R229 HydrophobicContact CB-CG 3.89Å; C227-R229 PolarHBondContact O-N 3.42Å; R229-V231 HydrophobicContact CG-CG1 4.38Å; R229-H241 WeakPolarHBondContact CG-NE2 3.37Å; R229-H241 PolarHBondContact NE-NE2 3.3Å
230P85.8Confident83.2Confident37 Ų3761.6 Ų61.624%0.2432%0.321CS..EExtended strand (participates in β ladder)trans-60.8142.2169.422.8-31.7000112.1F133 I220F133-P230 HydrophobicContact CZ-CG 4.42Å; I220-P230 HydrophobicContact CD1-CB 4.03Å; I220-P230 HydrophobicContact CD1-CG 4.39Å; I220-P230 HydrophobicContact CG2-CB 3.47Å; I220-P230 VanDerWaalsContact CG2-CB 3.47Å
231V86.4Confident83Confident5 Ų560.4 Ų60.43%0.0332%0.315CS..EExtended strand (participates in β ladder)trans-140.6156.9178.8-63.50000111N221 M222 C224 R229 C235 V246N221-V231 PolarHBondContact N-O 2.8Å; M222-V231 HydrophobicContact CB-CG2 3.97Å; M222-V231 PolarHBondContact N-O 3.13Å; M222-V231 VanDerWaalsContact N-O 3.1Å; M222-V231 PolarHBondContact O-N 3.46Å; C224-V231 HydrophobicContact CB-CG1 4.08Å; C224-V231 HydrophobicContact CB-CG2 4.35Å; R229-V231 HydrophobicContact CG-CG1 4.38Å; V231-C235 HydrophobicContact CB-CB 4.03Å; V231-C235 HydrophobicContact CG1-CB 4.45Å; V231-V246 HydrophobicContact CG2-CG1 3.91Å
232C87.8Confident82.8Confident0 Ų059.5 Ų59.50%032%0.315CS..  trans-91.5174.4168.173.90000111.2C212 H215 E218 R219 L234 C235C212-C232 HydrophobicContact CB-CB 3.91Å; C212-C232 VanDerWaalsContact SG-SG 3.63Å; H215-C232 PolarHBondContact ND1-SG 3.31Å; H215-C232 VanDerWaalsContact ND1-SG 3.44Å; E218-C232 HydrophobicContact CB-CB 3.96Å; R219-C232 VanDerWaalsContact O-CB 3.32Å; R219-C232 WeakPolarHBondContact O-CB 3.23Å; C232-L234 PolarHBondContact O-N 3.26Å; C232-C235 PolarHBondContact O-N 3.49Å; C232-C235 VanDerWaalsContact SG-SG 3.64Å
233H83.4Confident82.6Confident69 Ų6964.1 Ų64.132%0.31934%0.34SS..Hα-helixtrans-65-36.1-179.378.7-90.9000113.3E218 N221 C235 K236 L237E218-H233 IonicContact OE1-CE1 2.73Å; E218-H233 PolarHBondContact OE1-CE1 3.09Å; E218-H233 IonicContact OE2-CE1 3.98Å; E218-H233 PolarHBondContact OE2-CE1 3.26Å; E218-H233 IonicContact OE2-ND1 3.77Å; E218-H233 PolarHBondContact OE2-ND1 2.87Å; E218-H233 VanDerWaalsContact OE2-ND1 3.1Å; N221-H233 PolarHBondContact OD1-N 3.18Å; H233-C235 PolarHBondContact O-N 2.99Å; H233-K236 PolarHBondContact O-N 2.87Å; H233-K236 VanDerWaalsContact O-N 3.12Å; H233-L237 PolarHBondContact O-N 2.77Å; H233-L237 VanDerWaalsContact O-N 3.07Å
234L84.6Confident82.5Confident57 Ų5765 Ų6530%0.29835%0.345SS..Hα-helixtrans-65.8-36.6177.4-63.6-175.2000113H215 E218 C232 K236 L237 G238 G239H215-L234 HydrophobicContact CB-CD1 4.32Å; E218-L234 HydrophobicContact CG-CD1 3.58Å; E218-L234 HydrophobicContact CG-CG 3.95Å; C232-L234 PolarHBondContact O-N 3.26Å; L234-K236 PolarHBondContact O-N 3.11Å; L234-K236 VanDerWaalsContact O-N 3.13Å; L234-L237 PolarHBondContact O-N 2.64Å; L234-L237 VanDerWaalsContact O-N 3.14Å; L234-G238 PolarHBondContact O-N 2.81Å; L234-G239 PolarHBondContact O-N 2.86Å
235C83.2Confident82.3Confident2 Ų273.4 Ų73.41%0.01438%0.377CS..Hα-helixtrans-56.4-29.4172.7-69.10000112.8C212 E214 H215 V231 C232 H233 G239 H241C212-C235 PolarHBondContact SG-SG 3.13Å; E214-C235 PolarHBondContact OE2-SG 3.4Å; H215-C235 PolarHBondContact ND1-SG 3.09Å; H215-C235 VanDerWaalsContact ND1-SG 3.41Å; V231-C235 HydrophobicContact CB-CB 4.03Å; V231-C235 HydrophobicContact CG1-CB 4.45Å; C232-C235 PolarHBondContact O-N 3.49Å; C232-C235 VanDerWaalsContact SG-SG 3.64Å; H233-C235 PolarHBondContact O-N 2.99Å; C235-G239 CarbonylContact O-C 3.55Å; C235-G239 VanDerWaalsContact O-C 3.31Å; C235-G239 WeakPolarHBondContact O-CA 3.25Å; C235-G239 PolarHBondContact O-N 2.79Å; C235-H241 WeakPolarHBondContact O-CB 3.42Å; C235-H241 PolarHBondContact O-N 3.33Å
236K81.8Confident82.5Confident72 Ų7271.7 Ų71.731%0.31337%0.371SS..Hα-helixtrans-88.5-31.7177.2178.655.9-178.9174.40113.2H233 L234 H241 S242 H244 V246H233-K236 PolarHBondContact O-N 2.87Å; H233-K236 VanDerWaalsContact O-N 3.12Å; L234-K236 PolarHBondContact O-N 3.11Å; L234-K236 VanDerWaalsContact O-N 3.13Å; K236-H241 VanDerWaalsContact CD-O 3.32Å; K236-H241 WeakPolarHBondContact CD-O 3.4Å; K236-S242 PolarHBondContact NZ-O 3.03Å; K236-S242 WeakPolarHBondContact O-CA 3.4Å; K236-H244 PolarHBondContact NZ-O 2.84Å; K236-V246 HydrophobicContact CD-CG2 3.92Å
237L80.9Confident82.6Confident136 Ų13667.8 Ų67.871%0.71235%0.352SS*.Hα-helixtrans-81.3-33.9-178.2-69.2175.6000113.7H233 L234H233-L237 PolarHBondContact O-N 2.77Å; H233-L237 VanDerWaalsContact O-N 3.07Å; L234-L237 PolarHBondContact O-N 2.64Å; L234-L237 VanDerWaalsContact O-N 3.14Å
238G72.5Confident83Confident73 Ų7369 Ų6975%0.75336%0.358SS*.THydrogen-bonded Turntrans-149.84.4-177.200000115.9L234L234-G238 PolarHBondContact O-N 2.81Å
239G75.7Confident83.1Confident16 Ų1663.1 Ų63.117%0.16534%0.34CS..SBendtrans-102.6-167.6179.400000114.4L234 C235 H241 S242L234-G239 PolarHBondContact O-N 2.86Å; C235-G239 CarbonylContact O-C 3.55Å; C235-G239 VanDerWaalsContact O-C 3.31Å; C235-G239 WeakPolarHBondContact O-CA 3.25Å; C235-G239 PolarHBondContact O-N 2.79Å; G239-H241 PolarHBondContact O-N 2.68Å; G239-S242 PolarHBondContact O-N 3.45Å; G239-S242 VanDerWaalsContact O-N 3.11Å
240N75.1Confident83.3Confident115 Ų11562.6 Ų62.662%0.61535%0.351SS*.THydrogen-bonded Turntrans-64.57.8-175.8-64.5-24.8000115.4H244N240-H244 PolarHBondContact O-CE1 2.85Å
241H81.1Confident83.4Confident0 Ų063.8 Ų63.80%036%0.361CS..THydrogen-bonded Turntrans-12311.4177.7-64-96.9000113.8C224 C227 R229 C235 K236 G239 N243 H244C224-H241 WeakPolarHBondContact CB-CE1 3.45Å; C224-H241 PolarHBondContact SG-CE1 2.93Å; C224-H241 PolarHBondContact SG-ND1 2.82Å; C227-H241 WeakPolarHBondContact CB-NE2 3.4Å; C227-H241 VanDerWaalsContact SG-CE1 3.5Å; C227-H241 PolarHBondContact SG-NE2 3.38Å; R229-H241 WeakPolarHBondContact CG-NE2 3.37Å; R229-H241 PolarHBondContact NE-NE2 3.3Å; C235-H241 WeakPolarHBondContact O-CB 3.42Å; C235-H241 PolarHBondContact O-N 3.33Å; K236-H241 VanDerWaalsContact CD-O 3.32Å; K236-H241 WeakPolarHBondContact CD-O 3.4Å; G239-H241 PolarHBondContact O-N 2.68Å; H241-N243 VanDerWaalsContact C-N 3.27Å; H241-N243 PolarHBondContact O-N 3.04Å; H241-H244 HydrophobicContact CB-CB 4.4Å; H241-H244 AromaticContact CE1-CG 3.59Å; H241-H244 AromaticContact CE1-ND1 2.93Å; H241-H244 PolarHBondContact CE1-ND1 2.99Å; H241-H244 AromaticContact CG-ND1 3.81Å; H241-H244 AromaticContact ND1-ND1 3.29Å; H241-H244 PolarHBondContact ND1-ND1 2.89Å; H241-H244 PolarHBondContact O-N 3.48Å
242S80.8Confident83.3Confident58 Ų5863.9 Ų63.941%0.40636%0.362SS..THydrogen-bonded Turntrans-47-46.7176.455.80000113.2K236 G239K236-S242 PolarHBondContact NZ-O 3.03Å; K236-S242 WeakPolarHBondContact O-CA 3.4Å; G239-S242 PolarHBondContact O-N 3.45Å; G239-S242 VanDerWaalsContact O-N 3.11Å
243N81.8Confident83.3Confident149 Ų14970.3 Ų70.380%0.79739%0.387SS*.THydrogen-bonded Turntrans-90.6-1.6-178.1-65.9-22.8000114.8H241H241-N243 VanDerWaalsContact C-N 3.27Å; H241-N243 PolarHBondContact O-N 3.04Å
244H88.1Confident83.5Confident53 Ų5374.3 Ų74.325%0.24540%0.404CS..SBendtrans-88.8151.1-174.9-63.1151.8000113.3C224 L226 C227 K236 N240 H241 V246C224-H244 VanDerWaalsContact SG-CB 3.53Å; L226-H244 HydrophobicContact CD1-CB 4.08Å; C227-H244 PolarHBondContact SG-CE1 2.86Å; C227-H244 PolarHBondContact SG-ND1 2.92Å; C227-H244 VanDerWaalsContact SG-ND1 3.38Å; K236-H244 PolarHBondContact NZ-O 2.84Å; N240-H244 PolarHBondContact O-CE1 2.85Å; H241-H244 HydrophobicContact CB-CB 4.4Å; H241-H244 AromaticContact CE1-CG 3.59Å; H241-H244 AromaticContact CE1-ND1 2.93Å; H241-H244 PolarHBondContact CE1-ND1 2.99Å; H241-H244 AromaticContact CG-ND1 3.81Å; H241-H244 AromaticContact ND1-ND1 3.29Å; H241-H244 PolarHBondContact ND1-ND1 2.89Å; H241-H244 PolarHBondContact O-N 3.48Å; H244-V246 PolarHBondContact O-N 2.95Å
245R84.1Confident83.7Confident177 Ų17774.1 Ų74.167%0.66841%0.407SS*.  trans-73.8125.3169.7-168.7166.677.6-171.74.1109.4E225E225-R245 PolarHBondContact N-O 2.85Å; E225-R245 IonicContact OE2-CZ 3.94Å; E225-R245 IonicContact OE2-NE 2.81Å; E225-R245 PolarHBondContact OE2-NE 3.29Å; E225-R245 IonicContact OE2-NH2 3.6Å; E225-R245 PolarHBondContact OE2-NH2 2.92Å
246V87.8Confident83.8Confident25 Ų2578.1 Ų78.115%0.15243%0.428CS..EExtended strand (participates in β ladder)trans-131.7131.5-174.7-175.30000109.1M222 Y223 C224 V231 K236 H244M222-V246 HydrophobicContact CB-CG1 3.58Å; M222-V246 HydrophobicContact CE-CG1 3.95Å; M222-V246 HydrophobicContact CG-CG1 4.36Å; Y223-V246 CarbonylContact O-C 3.6Å; Y223-V246 VanDerWaalsContact O-CA 3.23Å; Y223-V246 WeakPolarHBondContact O-CA 3.45Å; Y223-V246 VanDerWaalsContact O-CG1 3.31Å; Y223-V246 WeakPolarHBondContact O-CG1 3.44Å; C224-V246 HydrophobicContact CB-CG2 4.29Å; V231-V246 HydrophobicContact CG2-CG1 3.91Å; K236-V246 HydrophobicContact CD-CG2 3.92Å; H244-V246 PolarHBondContact O-N 2.95Å
247T87.7Confident84Confident35 Ų3578.5 Ų78.522%0.21543%0.429CS..EExtended strand (participates in β ladder)trans-116.4167.6179.540.60000111.7Y223 E225Y223-T247 PolarHBondContact N-O 3.3Å; Y223-T247 PolarHBondContact O-N 3.18Å; E225-T247 WeakPolarHBondContact OE1-CG2 3.47Å; E225-T247 PolarHBondContact OE1-OG1 3.36Å
248T88.4Confident84.3Confident75 Ų7577.2 Ų77.246%0.4642%0.42SS..EExtended strand (participates in β ladder)trans-71.5144.9178.361.60000110.8M222 S250 S251 A252M222-T248 HydrophobicContact SD-CG2 4.29Å; T248-S250 PolarHBondContact O-N 3.35Å; T248-S250 VanDerWaalsContact O-N 3.16Å; T248-S251 PolarHBondContact O-N 2.7Å; T248-A252 PolarHBondContact O-N 2.96Å; T248-A252 VanDerWaalsContact O-N 3.1Å
249M86.4Confident85Confident72 Ų7279.5 Ų79.536%0.35541%0.409SS..Hα-helixtrans-57-33.3179.4-74.9-66.7-67.200113I220 N221 S251 A252 Y253I220-M249 HydrophobicContact CG2-SD 4.48Å; N221-M249 VanDerWaalsContact O-CG 3.29Å; N221-M249 WeakPolarHBondContact O-CG 3.49Å; N221-M249 PolarHBondContact O-N 3.37Å; M249-S251 VanDerWaalsContact C-N 3.33Å; M249-S251 PolarHBondContact O-N 3.42Å; M249-A252 PolarHBondContact O-N 3.06Å; M249-Y253 WeakPolarHBondContact O-CB 3.42Å; M249-Y253 PolarHBondContact O-N 2.77Å
250S86.1Confident85.4Confident88 Ų8883.8 Ų83.862%0.61543%0.427SS*.Hα-helixtrans-66.4-31.7177-43.90000113.5T248 K254T248-S250 PolarHBondContact O-N 3.35Å; T248-S250 VanDerWaalsContact O-N 3.16Å; S250-K254 WeakPolarHBondContact O-CG 3.36Å; S250-K254 PolarHBondContact O-N 2.96Å
251S86.8Confident85.7Confident63 Ų6381.2 Ų81.244%0.44142%0.418SS..Hα-helixtrans-75.7-47.7175.2178.60000110.8T248 M249 Y253 K254 S255T248-S251 PolarHBondContact O-N 2.7Å; M249-S251 VanDerWaalsContact C-N 3.33Å; M249-S251 PolarHBondContact O-N 3.42Å; S251-Y253 VanDerWaalsContact C-N 3.34Å; S251-Y253 PolarHBondContact O-N 3.43Å; S251-K254 PolarHBondContact O-N 2.99Å; S251-S255 PolarHBondContact O-N 3.39Å; S251-S255 VanDerWaalsContact O-N 3.14Å
252A86.2Confident86Confident7 Ų787 Ų876%0.05844%0.444CS..Hα-helixtrans-59.5-42.6176.500000112.1Y223 T248 M249 K254 S255 L256Y223-A252 HydrophobicContact CD1-CB 3.77Å; Y223-A252 HydrophobicContact CD2-CB 4.35Å; Y223-A252 HydrophobicContact CG-CB 3.64Å; T248-A252 PolarHBondContact O-N 2.96Å; T248-A252 VanDerWaalsContact O-N 3.1Å; M249-A252 PolarHBondContact O-N 3.06Å; A252-K254 PolarHBondContact O-N 3.02Å; A252-S255 PolarHBondContact O-N 3.16Å; A252-L256 WeakPolarHBondContact O-CB 3.38Å; A252-L256 WeakPolarHBondContact O-CG 3.38Å; A252-L256 PolarHBondContact O-N 3.45Å
253Y86.9Confident86.2Confident134 Ų13488.8 Ų88.853%0.52545%0.449SS..Hα-helixtrans-54.6-51.5174.6170.6-94.6000112.1M249 S251 S255 K257M249-Y253 WeakPolarHBondContact O-CB 3.42Å; M249-Y253 PolarHBondContact O-N 2.77Å; S251-Y253 VanDerWaalsContact C-N 3.34Å; S251-Y253 PolarHBondContact O-N 3.43Å; Y253-S255 PolarHBondContact O-N 3.39Å; Y253-K257 HydrophobicContact CE1-CD 4.07Å; Y253-K257 HydrophobicContact CE2-CD 4.47Å; Y253-K257 WeakPolarHBondContact O-CB 3.44Å; Y253-K257 PolarHBondContact O-N 3.12Å; Y253-K257 PolarHBondContact OH-NZ 2.96Å
254K88.3Confident86.4Confident154 Ų15485.5 Ų85.567%0.6743%0.43SS*.Hα-helixtrans-60.7-48.2-179.6-73.3-178.2178.5-173.50111.6S250 S251 A252 K257 E258S250-K254 WeakPolarHBondContact O-CG 3.36Å; S250-K254 PolarHBondContact O-N 2.96Å; S251-K254 PolarHBondContact O-N 2.99Å; A252-K254 PolarHBondContact O-N 3.02Å; K254-K257 PolarHBondContact O-N 3.04Å; K254-E258 WeakPolarHBondContact O-CB 3.35Å; K254-E258 PolarHBondContact O-N 2.85Å
255S87.4Confident86Confident53 Ų5387.3 Ų87.337%0.37144%0.442SS..Hα-helixtrans-64.7-43.4-178.4-173.60000112.7S251 A252 Y253 K259S251-S255 PolarHBondContact O-N 3.39Å; S251-S255 VanDerWaalsContact O-N 3.14Å; A252-S255 PolarHBondContact O-N 3.16Å; Y253-S255 PolarHBondContact O-N 3.39Å; S255-K259 WeakPolarHBondContact O-CG 3.49Å; S255-K259 PolarHBondContact O-N 3.22Å; S255-K259 VanDerWaalsContact O-N 3.16Å
256L85.6Confident86.1Confident86 Ų8684.7 Ų84.745%0.4544%0.435SS..Hα-helixtrans-70.6-38.5178.7-69.3171.1000112.1Y223 A252 L260Y223-L256 HydrophobicContact CE2-CD1 4.36Å; A252-L256 WeakPolarHBondContact O-CB 3.38Å; A252-L256 WeakPolarHBondContact O-CG 3.38Å; A252-L256 PolarHBondContact O-N 3.45Å; L256-L260 VanDerWaalsContact O-CB 3.32Å; L256-L260 WeakPolarHBondContact O-CB 3.47Å; L256-L260 PolarHBondContact O-N 2.9Å
257K85.7Confident86Confident79 Ų7989.2 Ų89.234%0.34346%0.458SS..Hα-helixtrans-64.2-43.6176.1-170.7179.9-168.21790112E9 Y253 K254 S261E9-K257 IonicContact OE1-NZ 2.67Å; E9-K257 PolarHBondContact OE1-NZ 3.32Å; E9-K257 IonicContact OE2-NZ 3.62Å; E9-K257 PolarHBondContact OE2-NZ 3.03Å; Y253-K257 HydrophobicContact CE1-CD 4.07Å; Y253-K257 HydrophobicContact CE2-CD 4.47Å; Y253-K257 WeakPolarHBondContact O-CB 3.44Å; Y253-K257 PolarHBondContact O-N 3.12Å; Y253-K257 PolarHBondContact OH-NZ 2.96Å; K254-K257 PolarHBondContact O-N 3.04Å; K257-S261 PolarHBondContact O-N 3.22Å
258E87.3Confident85.8Confident109 Ų10991.5 Ų91.551%0.50947%0.468SS..Hα-helixtrans-64.8-43.9178.7-170-170157.200111.9K254 S261 K262K254-E258 WeakPolarHBondContact O-CB 3.35Å; K254-E258 PolarHBondContact O-N 2.85Å; E258-S261 PolarHBondContact O-N 3.2Å; E258-K262 WeakPolarHBondContact O-CG 3.02Å; E258-K262 PolarHBondContact O-N 3.44Å; E258-K262 WeakPolarHBondContact OE1-CE 3.35Å; E258-K262 IonicContact OE1-NZ 2.97Å; E258-K262 PolarHBondContact OE1-NZ 3.28Å
259K86.8Confident85.5Confident122 Ų12291.1 Ų91.153%0.5347%0.469SS..Hα-helixtrans-59.9-53175.1-73.6174.4-179.5-178.50111.4S255 S261 K262 D263S255-K259 WeakPolarHBondContact O-CG 3.49Å; S255-K259 PolarHBondContact O-N 3.22Å; S255-K259 VanDerWaalsContact O-N 3.16Å; K259-S261 VanDerWaalsContact C-N 3.25Å; K259-S261 PolarHBondContact O-N 2.85Å; K259-K262 PolarHBondContact O-N 3.16Å; K259-D263 VanDerWaalsContact O-CG 3.25Å; K259-D263 PolarHBondContact O-N 2.9Å
260L85.3Confident85.6Confident105 Ų10591.6 Ų91.655%0.5547%0.469SS..Hα-helixtrans-58.7-36.6-179.2-176.162.4000112.4L256 I264L256-L260 VanDerWaalsContact O-CB 3.32Å; L256-L260 WeakPolarHBondContact O-CB 3.47Å; L256-L260 PolarHBondContact O-N 2.9Å; L260-I264 HydrophobicContact CD1-CD1 4.11Å; L260-I264 HydrophobicContact CD1-CG1 4.39Å; L260-I264 HydrophobicContact CG-CD1 3.9Å; L260-I264 WeakPolarHBondContact O-CB 3.3Å; L260-I264 WeakPolarHBondContact O-CD1 3.3Å; L260-I264 WeakPolarHBondContact O-CG1 3.2Å; L260-I264 PolarHBondContact O-N 3.1Å
261S82Confident85.5Confident61 Ų6191.5 Ų91.543%0.42746%0.459SS..Hα-helixtrans-62.3-49.1173.9-164.20000111.9K257 E258 K259 D263 I264 D265K257-S261 PolarHBondContact O-N 3.22Å; E258-S261 PolarHBondContact O-N 3.2Å; K259-S261 VanDerWaalsContact C-N 3.25Å; K259-S261 PolarHBondContact O-N 2.85Å; S261-D263 VanDerWaalsContact C-N 3.33Å; S261-D263 PolarHBondContact O-N 3.43Å; S261-I264 PolarHBondContact O-N 3.37Å; S261-D265 WeakPolarHBondContact O-CB 3.44Å; S261-D265 VanDerWaalsContact O-CG 3.28Å; S261-D265 PolarHBondContact O-N 3.35Å; S261-D265 VanDerWaalsContact O-OD2 3.11Å
262K87.3Confident85.3Confident122 Ų12292.4 Ų92.453%0.5347%0.465SS..Hα-helixtrans-62-40.3178.8-68.7175.4-173.8172.40112.2E258 K259 D265 F266E258-K262 WeakPolarHBondContact O-CG 3.02Å; E258-K262 PolarHBondContact O-N 3.44Å; E258-K262 WeakPolarHBondContact OE1-CE 3.35Å; E258-K262 IonicContact OE1-NZ 2.97Å; E258-K262 PolarHBondContact OE1-NZ 3.28Å; K259-K262 PolarHBondContact O-N 3.16Å; K262-D265 PolarHBondContact O-N 3.06Å; K262-F266 WeakPolarHBondContact O-CB 3.43Å; K262-F266 PolarHBondContact O-N 3.18Å
263D84.3Confident85.4Confident96 Ų9696.3 Ų96.351%0.51348%0.482SS..Hα-helixtrans-65.7-40.7178.1-60.9-27.3000111.1K259 S261 L267K259-D263 VanDerWaalsContact O-CG 3.25Å; K259-D263 PolarHBondContact O-N 2.9Å; S261-D263 VanDerWaalsContact C-N 3.33Å; S261-D263 PolarHBondContact O-N 3.43Å; D263-L267 WeakPolarHBondContact O-CG 3.31Å; D263-L267 PolarHBondContact O-N 2.87Å
264I85Confident85.6Confident79 Ų7993.5 Ų93.541%0.40548%0.478SS..Hα-helixtrans-65.9-46.9174.6-71.4167.2000111.5L260 S261 F266 L267 I268L260-I264 HydrophobicContact CD1-CD1 4.11Å; L260-I264 HydrophobicContact CD1-CG1 4.39Å; L260-I264 HydrophobicContact CG-CD1 3.9Å; L260-I264 WeakPolarHBondContact O-CB 3.3Å; L260-I264 WeakPolarHBondContact O-CD1 3.3Å; L260-I264 WeakPolarHBondContact O-CG1 3.2Å; L260-I264 PolarHBondContact O-N 3.1Å; S261-I264 PolarHBondContact O-N 3.37Å; I264-F266 VanDerWaalsContact C-N 3.27Å; I264-F266 PolarHBondContact O-N 2.92Å; I264-L267 PolarHBondContact O-N 3.14Å; I264-I268 HydrophobicContact CG2-CD1 3.72Å; I264-I268 HydrophobicContact CG2-CG1 4.4Å; I264-I268 WeakPolarHBondContact O-CG1 3.42Å; I264-I268 PolarHBondContact O-N 2.86Å
265D81Confident85.6Confident92 Ų9291.6 Ų91.649%0.49247%0.47SS..Hα-helixtrans-60.6-39178.5-70.6-39.5000111.2S261 K262 S269S261-D265 WeakPolarHBondContact O-CB 3.44Å; S261-D265 VanDerWaalsContact O-CG 3.28Å; S261-D265 PolarHBondContact O-N 3.35Å; S261-D265 VanDerWaalsContact O-OD2 3.11Å; K262-D265 PolarHBondContact O-N 3.06Å; D265-S269 WeakPolarHBondContact O-CB 3.45Å; D265-S269 PolarHBondContact O-N 3.38Å
266F85.4Confident85.7Confident121 Ų12192.7 Ų92.753%0.53148%0.478SS..Hα-helixtrans-61.5-49.6172.7179.2-97.7000112.1K262 I264 I268 S269 K270K262-F266 WeakPolarHBondContact O-CB 3.43Å; K262-F266 PolarHBondContact O-N 3.18Å; I264-F266 VanDerWaalsContact C-N 3.27Å; I264-F266 PolarHBondContact O-N 2.92Å; F266-I268 PolarHBondContact O-N 3.31Å; F266-S269 WeakPolarHBondContact O-CB 3.49Å; F266-S269 PolarHBondContact O-N 2.84Å; F266-S269 VanDerWaalsContact O-N 3.12Å; F266-S269 PolarHBondContact O-OG 2.92Å; F266-K270 HydrophobicContact CE1-CG 4.11Å; F266-K270 HydrophobicContact CE2-CG 4.38Å; F266-K270 HydrophobicContact CZ-CG 4.05Å; F266-K270 WeakPolarHBondContact O-CG 2.98Å; F266-K270 PolarHBondContact O-N 2.82Å; F266-K270 VanDerWaalsContact O-N 3.16Å
267L85.5Confident86.1Confident120 Ų12092.9 Ų92.963%0.62848%0.476SS*.Hα-helixtrans-60.2-42.6178.5-71.4172.1000112.3D263 I264 S269 K270 E271D263-L267 WeakPolarHBondContact O-CG 3.31Å; D263-L267 PolarHBondContact O-N 2.87Å; I264-L267 PolarHBondContact O-N 3.14Å; L267-S269 VanDerWaalsContact C-N 3.32Å; L267-S269 PolarHBondContact O-N 2.91Å; L267-K270 PolarHBondContact O-N 3.09Å; L267-E271 PolarHBondContact O-N 3.39Å
268I83.9Confident86.5Confident84 Ų8493.4 Ų93.443%0.43148%0.482SS..Hα-helixtrans-62.1-40.9175-66.2168.3000110.6I264 F266 K270 E271I264-I268 HydrophobicContact CG2-CD1 3.72Å; I264-I268 HydrophobicContact CG2-CG1 4.4Å; I264-I268 WeakPolarHBondContact O-CG1 3.42Å; I264-I268 PolarHBondContact O-N 2.86Å; F266-I268 PolarHBondContact O-N 3.31Å; I268-K270 PolarHBondContact O-N 2.77Å; I268-E271 WeakPolarHBondContact O-CB 3.41Å; I268-E271 PolarHBondContact O-N 3.07Å
269S83.3Confident86.8Confident67 Ų6791.5 Ų91.547%0.46948%0.481SS..Hα-helixtrans-63.5-26.3177.781.70000113.7D265 F266 L267 S272D265-S269 WeakPolarHBondContact O-CB 3.45Å; D265-S269 PolarHBondContact O-N 3.38Å; F266-S269 WeakPolarHBondContact O-CB 3.49Å; F266-S269 PolarHBondContact O-N 2.84Å; F266-S269 VanDerWaalsContact O-N 3.12Å; F266-S269 PolarHBondContact O-OG 2.92Å; L267-S269 VanDerWaalsContact C-N 3.32Å; L267-S269 PolarHBondContact O-N 2.91Å; S269-S272 PolarHBondContact O-OG 3.34Å
270K87.3Confident87.1Confident82 Ų8291.9 Ų91.936%0.35748%0.484SS..Hα-helixtrans-90.2-13.1-178.8-68.2-55.2-167.2178.30114.5F266 L267 I268 S272 Q273 V274F266-K270 HydrophobicContact CE1-CG 4.11Å; F266-K270 HydrophobicContact CE2-CG 4.38Å; F266-K270 HydrophobicContact CZ-CG 4.05Å; F266-K270 WeakPolarHBondContact O-CG 2.98Å; F266-K270 PolarHBondContact O-N 2.82Å; F266-K270 VanDerWaalsContact O-N 3.16Å; L267-K270 PolarHBondContact O-N 3.09Å; I268-K270 PolarHBondContact O-N 2.77Å; K270-S272 VanDerWaalsContact C-N 3.26Å; K270-S272 PolarHBondContact O-N 2.63Å; K270-Q273 PolarHBondContact O-N 2.89Å; K270-Q273 VanDerWaalsContact O-N 3.12Å; K270-V274 PolarHBondContact O-N 2.8Å; K270-V274 VanDerWaalsContact O-N 3.1Å
271E84.1Confident87.5Confident86 Ų8692 Ų9240%0.40249%0.485SS..Hα-helixtrans-56.3-39.5178.7-166.5-165.9164.100112.6L267 I268 K275L267-E271 PolarHBondContact O-N 3.39Å; I268-E271 WeakPolarHBondContact O-CB 3.41Å; I268-E271 PolarHBondContact O-N 3.07Å; E271-K275 WeakPolarHBondContact O-CG 3.28Å; E271-K275 PolarHBondContact O-N 2.99Å; E271-K275 VanDerWaalsContact O-N 3.13Å; E271-K275 VanDerWaalsContact OE1-CE 3.22Å; E271-K275 WeakPolarHBondContact OE1-CE 3.39Å; E271-K275 IonicContact OE1-NZ 3.3Å; E271-K275 PolarHBondContact OE1-NZ 3.47Å
272S82.8Confident88.1Confident81 Ų8193 Ų9357%0.56649%0.486SS*.Hα-helixtrans-67.6-40.1177.555.70000112.6S269 K270 K275 S276S269-S272 PolarHBondContact O-OG 3.34Å; K270-S272 VanDerWaalsContact C-N 3.26Å; K270-S272 PolarHBondContact O-N 2.63Å; S272-K275 PolarHBondContact O-N 3.03Å; S272-S276 PolarHBondContact O-N 3.35Å
273Q89.3Confident88.3Confident89 Ų8992.9 Ų92.942%0.41649%0.49SS..Hα-helixtrans-62.7-46.3177.4-175.1176.3-400110.8K270 K275 S276 Q277K270-Q273 PolarHBondContact O-N 2.89Å; K270-Q273 VanDerWaalsContact O-N 3.12Å; Q273-K275 PolarHBondContact O-N 2.95Å; Q273-S276 WeakPolarHBondContact O-CB 3.4Å; Q273-S276 PolarHBondContact O-N 3.36Å; Q273-Q277 WeakPolarHBondContact O-CG 3.14Å; Q273-Q277 PolarHBondContact O-N 2.73Å
274V89.5Confident88.7Confident75 Ų7593.2 Ų93.246%0.45549%0.491SS..Hα-helixtrans-63.1-41.6177.9176.70000111.3K270 S276 Q277 I278K270-V274 PolarHBondContact O-N 2.8Å; K270-V274 VanDerWaalsContact O-N 3.1Å; V274-S276 VanDerWaalsContact C-N 3.32Å; V274-S276 PolarHBondContact O-N 3.03Å; V274-Q277 PolarHBondContact O-N 3.41Å; V274-I278 HydrophobicContact CG1-CD1 3.94Å; V274-I278 WeakPolarHBondContact O-CG1 3.33Å; V274-I278 PolarHBondContact O-N 3.22Å
275K88.4Confident89Confident115 Ų11594.7 Ų94.750%0.550%0.498SS..Hα-helixtrans-62.5-36.9174.1-73.4174.3-175.1172.40112.9E271 S272 Q273 S279E271-K275 WeakPolarHBondContact O-CG 3.28Å; E271-K275 PolarHBondContact O-N 2.99Å; E271-K275 VanDerWaalsContact O-N 3.13Å; E271-K275 VanDerWaalsContact OE1-CE 3.22Å; E271-K275 WeakPolarHBondContact OE1-CE 3.39Å; E271-K275 IonicContact OE1-NZ 3.3Å; E271-K275 PolarHBondContact OE1-NZ 3.47Å; S272-K275 PolarHBondContact O-N 3.03Å; Q273-K275 PolarHBondContact O-N 2.95Å; K275-S279 WeakPolarHBondContact O-CB 3.32Å; K275-S279 PolarHBondContact O-N 2.81Å; K275-S279 PolarHBondContact O-OG 2.85Å
276S90.6Very high89.5Confident75 Ų7596.8 Ų96.852%0.52450%0.502SS..Hα-helixtrans-63.1-49.2173.7-163.10000111.3S272 Q273 V274 I278 S279 E280S272-S276 PolarHBondContact O-N 3.35Å; Q273-S276 WeakPolarHBondContact O-CB 3.4Å; Q273-S276 PolarHBondContact O-N 3.36Å; V274-S276 VanDerWaalsContact C-N 3.32Å; V274-S276 PolarHBondContact O-N 3.03Å; S276-I278 PolarHBondContact O-N 2.93Å; S276-S279 WeakPolarHBondContact O-CA 3.44Å; S276-S279 WeakPolarHBondContact O-CB 3.34Å; S276-S279 PolarHBondContact O-N 2.77Å; S276-E280 PolarHBondContact O-N 2.88Å
277Q93.3Very high89.6Confident91 Ų9196.5 Ų96.543%0.42550%0.503SS..Hα-helixtrans-62-40.7178.8-70.8173.5-40.600112.3Q273 V274 S279 E280 L281Q273-Q277 WeakPolarHBondContact O-CG 3.14Å; Q273-Q277 PolarHBondContact O-N 2.73Å; V274-Q277 PolarHBondContact O-N 3.41Å; Q277-S279 VanDerWaalsContact C-N 3.28Å; Q277-S279 PolarHBondContact O-N 3.47Å; Q277-E280 PolarHBondContact O-N 2.83Å; Q277-L281 WeakPolarHBondContact O-CB 3.26Å; Q277-L281 WeakPolarHBondContact O-CG 3.3Å; Q277-L281 PolarHBondContact O-N 2.87Å
278I94.3Very high89.6Confident90 Ų9095 Ų9546%0.46250%0.499SS..Hα-helixtrans-60.8-39.8172.4-69.5166.8000110.6V274 S276 N282V274-I278 HydrophobicContact CG1-CD1 3.94Å; V274-I278 WeakPolarHBondContact O-CG1 3.33Å; V274-I278 PolarHBondContact O-N 3.22Å; S276-I278 PolarHBondContact O-N 2.93Å; I278-N282 PolarHBondContact O-N 3.29Å; I278-N282 PolarHBondContact O-ND2 2.87Å
279S93.8Very high90Very high69 Ų6997.4 Ų97.448%0.48351%0.508SS..Hα-helixtrans-68.5-40.5-179.9-55.10000111.9K275 S276 Q277 N282 L283K275-S279 WeakPolarHBondContact O-CB 3.32Å; K275-S279 PolarHBondContact O-N 2.81Å; K275-S279 PolarHBondContact O-OG 2.85Å; S276-S279 WeakPolarHBondContact O-CA 3.44Å; S276-S279 WeakPolarHBondContact O-CB 3.34Å; S276-S279 PolarHBondContact O-N 2.77Å; Q277-S279 VanDerWaalsContact C-N 3.28Å; Q277-S279 PolarHBondContact O-N 3.47Å; S279-N282 PolarHBondContact O-N 3.28Å; S279-L283 WeakPolarHBondContact O-CG 3.32Å; S279-L283 PolarHBondContact O-N 3.25Å; S279-L283 VanDerWaalsContact O-N 3.1Å
280E93.5Very high90.2Very high130 Ų13098.3 Ų98.361%0.60751%0.514SS*.Hα-helixtrans-61.9-47.9174.1-177174.3-157.500111.9S276 Q277 N282 L283 L284S276-E280 PolarHBondContact O-N 2.88Å; Q277-E280 PolarHBondContact O-N 2.83Å; E280-N282 VanDerWaalsContact C-N 3.31Å; E280-N282 PolarHBondContact O-N 3.23Å; E280-L283 WeakPolarHBondContact O-CB 3.42Å; E280-L283 PolarHBondContact O-N 3Å; E280-L284 PolarHBondContact O-N 3.14Å
281L93.5Very high90Very high107 Ų10797.4 Ų97.456%0.5651%0.512SS*.Hα-helixtrans-59.4-40.5174.6-71.6171.1000112.2Q277 L283 L284 M285Q277-L281 WeakPolarHBondContact O-CB 3.26Å; Q277-L281 WeakPolarHBondContact O-CG 3.3Å; Q277-L281 PolarHBondContact O-N 2.87Å; L281-L283 VanDerWaalsContact C-N 3.29Å; L281-L283 PolarHBondContact O-N 3.27Å; L281-L284 PolarHBondContact O-N 2.96Å; L281-M285 VanDerWaalsContact O-CG 3.3Å; L281-M285 WeakPolarHBondContact O-CG 3.35Å; L281-M285 PolarHBondContact O-N 3.45Å
282N93.5Very high89.8Confident83 Ų8395.4 Ų95.444%0.44452%0.515SS..Hα-helixtrans-66.3-28.1175.7-83.6-78.6000113.3I278 S279 E280 K286I278-N282 PolarHBondContact O-N 3.29Å; I278-N282 PolarHBondContact O-ND2 2.87Å; S279-N282 PolarHBondContact O-N 3.28Å; E280-N282 VanDerWaalsContact C-N 3.31Å; E280-N282 PolarHBondContact O-N 3.23Å; N282-K286 WeakPolarHBondContact O-CG 3.38Å; N282-K286 PolarHBondContact O-N 2.98Å
283L92.5Very high90.1Very high119 Ų11995.9 Ų95.962%0.62351%0.509SS*.Hα-helixtrans-73-47.3172.4-70.8170000110.6S279 E280 L281 M285 K286 E287S279-L283 WeakPolarHBondContact O-CG 3.32Å; S279-L283 PolarHBondContact O-N 3.25Å; S279-L283 VanDerWaalsContact O-N 3.1Å; E280-L283 WeakPolarHBondContact O-CB 3.42Å; E280-L283 PolarHBondContact O-N 3Å; L281-L283 VanDerWaalsContact C-N 3.29Å; L281-L283 PolarHBondContact O-N 3.27Å; L283-M285 VanDerWaalsContact C-N 3.3Å; L283-M285 PolarHBondContact O-N 3.22Å; L283-K286 PolarHBondContact O-N 2.79Å; L283-K286 VanDerWaalsContact O-N 3.14Å; L283-E287 PolarHBondContact O-N 2.91Å
284L91.9Very high89.7Confident102 Ų10297.9 Ų97.953%0.53451%0.512SS..Hα-helixtrans-61-37.5178.8-173.265.8000112.3E280 L281 E287 T288E280-L284 PolarHBondContact O-N 3.14Å; L281-L284 PolarHBondContact O-N 2.96Å; L284-E287 PolarHBondContact O-N 2.96Å; L284-T288 WeakPolarHBondContact O-CB 3.24Å; L284-T288 PolarHBondContact O-N 2.95Å; L284-T288 PolarHBondContact O-OG1 2.78Å
285M90.9Very high89.1Confident111 Ų11196.9 Ų96.955%0.54751%0.512SS..Hα-helixtrans-59.4-49.6172.8-74.9176.268.400111.8L281 L283 E287 T288 E289L281-M285 VanDerWaalsContact O-CG 3.3Å; L281-M285 WeakPolarHBondContact O-CG 3.35Å; L281-M285 PolarHBondContact O-N 3.45Å; L283-M285 VanDerWaalsContact C-N 3.3Å; L283-M285 PolarHBondContact O-N 3.22Å; M285-E287 PolarHBondContact O-N 3.12Å; M285-T288 PolarHBondContact O-N 3.5Å; M285-E289 WeakPolarHBondContact O-CG 3.41Å; M285-E289 PolarHBondContact O-N 2.91Å
286K92.8Very high88.9Confident135 Ų13596.4 Ų96.459%0.58751%0.51SS*.Hα-helixtrans-64.5-38.1178.5-71.9176.4179.8-176.80113N282 L283 E289 C290N282-K286 WeakPolarHBondContact O-CG 3.38Å; N282-K286 PolarHBondContact O-N 2.98Å; L283-K286 PolarHBondContact O-N 2.79Å; L283-K286 VanDerWaalsContact O-N 3.14Å; K286-E289 PolarHBondContact O-N 3.21Å; K286-C290 WeakPolarHBondContact O-CB 3.5Å; K286-C290 PolarHBondContact O-N 3.11Å
287E87.3Confident88.9Confident116 Ų11698.6 Ų98.654%0.54251%0.512SS..Hα-helixtrans-64.8-42.3175178.9169.4-164.700111L283 L284 M285 C290 N291L283-E287 PolarHBondContact O-N 2.91Å; L284-E287 PolarHBondContact O-N 2.96Å; M285-E287 PolarHBondContact O-N 3.12Å; E287-C290 PolarHBondContact O-N 2.95Å; E287-N291 WeakPolarHBondContact CG-ND2 3.43Å; E287-N291 VanDerWaalsContact O-CB 3.29Å; E287-N291 WeakPolarHBondContact O-CB 3.47Å; E287-N291 VanDerWaalsContact O-CG 3.25Å; E287-N291 PolarHBondContact O-N 3.32Å; E287-N291 PolarHBondContact O-ND2 3.43Å
288T85.7Confident88.3Confident88 Ų8899.3 Ų99.354%0.5452%0.515SS..Hα-helixtrans-62.6-43.8175.5-55.80000111.6L284 M285 N291 G292L284-T288 WeakPolarHBondContact O-CB 3.24Å; L284-T288 PolarHBondContact O-N 2.95Å; L284-T288 PolarHBondContact O-OG1 2.78Å; M285-T288 PolarHBondContact O-N 3.5Å; T288-N291 PolarHBondContact O-N 3.25Å; T288-G292 PolarHBondContact O-N 2.99Å
289E90.8Very high87.8Confident135 Ų13597.1 Ų97.163%0.63151%0.51SS*.Hα-helixtrans-59.9-47.4174.2-72.8173170.900111.9M285 K286 G292 E293M285-E289 WeakPolarHBondContact O-CG 3.41Å; M285-E289 PolarHBondContact O-N 2.91Å; K286-E289 PolarHBondContact O-N 3.21Å; E289-G292 PolarHBondContact O-N 2.83Å; E289-E293 PolarHBondContact O-N 3.18Å
290C89.3Confident87.5Confident86 Ų8698.4 Ų98.458%0.58151%0.512SS*.Hα-helixtrans-65.9-41.1179.5-175.70000112.6K286 E287 E293 R294K286-C290 WeakPolarHBondContact O-CB 3.5Å; K286-C290 PolarHBondContact O-N 3.11Å; E287-C290 PolarHBondContact O-N 2.95Å; C290-E293 PolarHBondContact O-N 3.08Å; C290-R294 WeakPolarHBondContact O-CB 3.36Å; C290-R294 PolarHBondContact O-N 3.41Å
291N82.5Confident87.3Confident62 Ų6294.9 Ų94.933%0.33250%0.504SS..Hα-helixtrans-65.3-39.3175.1-75.2-28.5000111.9E287 T288 R294 A295E287-N291 WeakPolarHBondContact CG-ND2 3.43Å; E287-N291 VanDerWaalsContact O-CB 3.29Å; E287-N291 WeakPolarHBondContact O-CB 3.47Å; E287-N291 VanDerWaalsContact O-CG 3.25Å; E287-N291 PolarHBondContact O-N 3.32Å; E287-N291 PolarHBondContact O-ND2 3.43Å; T288-N291 PolarHBondContact O-N 3.25Å; N291-R294 PolarHBondContact O-N 3.03Å; N291-R294 PolarHBondContact OD1-NH2 2.9Å; N291-A295 WeakPolarHBondContact O-CB 3.28Å; N291-A295 PolarHBondContact O-N 3.46Å
292G80.1Confident87Confident45 Ų4595.9 Ų95.946%0.46451%0.506SS..Hα-helixtrans-63.2-44.3175.700000113T288 E289 A295 K296T288-G292 PolarHBondContact O-N 2.99Å; E289-G292 PolarHBondContact O-N 2.83Å; G292-A295 PolarHBondContact O-N 2.84Å; G292-K296 PolarHBondContact O-N 2.72Å; G292-K296 VanDerWaalsContact O-N 3.17Å
293E88.9Confident86.7Confident91 Ų9195.5 Ų95.543%0.42550%0.501SS..Hα-helixtrans-68.9-40.2177.7-167.561.6-159.200111.6E289 C290 A295 K296 E297E289-E293 PolarHBondContact O-N 3.18Å; C290-E293 PolarHBondContact O-N 3.08Å; E293-A295 PolarHBondContact O-N 3.09Å; E293-K296 WeakPolarHBondContact O-CB 3.4Å; E293-K296 PolarHBondContact O-N 2.97Å; E293-K296 VanDerWaalsContact O-N 3.16Å; E293-K296 IonicContact OE1-NZ 2.63Å; E293-K296 PolarHBondContact OE1-NZ 3.12Å; E293-K296 IonicContact OE2-NZ 3.59Å; E293-K296 PolarHBondContact OE2-NZ 3.05Å; E293-E297 PolarHBondContact O-N 3.47Å
294R80.8Confident86.7Confident131 Ų13196.3 Ų96.349%0.49450%0.501SS..Hα-helixtrans-59.9-45.8173.3173.4169.254.6152.5-4112.6C290 N291 K296 E297 E298C290-R294 WeakPolarHBondContact O-CB 3.36Å; C290-R294 PolarHBondContact O-N 3.41Å; N291-R294 PolarHBondContact O-N 3.03Å; N291-R294 PolarHBondContact OD1-NH2 2.9Å; R294-K296 PolarHBondContact O-N 3.3Å; R294-E297 PolarHBondContact O-N 3.01Å; R294-E297 VanDerWaalsContact O-N 3.16Å; R294-E298 HydrophobicContact CG-CG 4.39Å; R294-E298 WeakPolarHBondContact CG-OE1 3.48Å; R294-E298 WeakPolarHBondContact O-CG 3.48Å; R294-E298 PolarHBondContact O-N 3.4Å
295A77.2Confident86.7Confident54 Ų5497.7 Ų97.745%0.44650%0.503SS..Hα-helixtrans-61.2-32.5177.500000112.1N291 G292 E293 A299N291-A295 WeakPolarHBondContact O-CB 3.28Å; N291-A295 PolarHBondContact O-N 3.46Å; G292-A295 PolarHBondContact O-N 2.84Å; E293-A295 PolarHBondContact O-N 3.09Å; A295-A299 WeakPolarHBondContact O-CB 3.34Å; A295-A299 PolarHBondContact O-N 2.96Å
296K84.5Confident86.6Confident104 Ų10495.5 Ų95.545%0.45249%0.493SS..Hα-helixtrans-72-41.2173.6166.4169.3157.6-100.60112.6G292 E293 R294 A299 L300G292-K296 PolarHBondContact O-N 2.72Å; G292-K296 VanDerWaalsContact O-N 3.17Å; E293-K296 WeakPolarHBondContact O-CB 3.4Å; E293-K296 PolarHBondContact O-N 2.97Å; E293-K296 VanDerWaalsContact O-N 3.16Å; E293-K296 IonicContact OE1-NZ 2.63Å; E293-K296 PolarHBondContact OE1-NZ 3.12Å; E293-K296 IonicContact OE2-NZ 3.59Å; E293-K296 PolarHBondContact OE2-NZ 3.05Å; R294-K296 PolarHBondContact O-N 3.3Å; K296-A299 PolarHBondContact O-N 3.12Å; K296-L300 HydrophobicContact CG-CD1 4.31Å; K296-L300 VanDerWaalsContact O-CG 3.28Å; K296-L300 WeakPolarHBondContact O-CG 3.06Å; K296-L300 PolarHBondContact O-N 3.22Å
297E89.6Confident86.5Confident122 Ų12295.7 Ų95.757%0.5749%0.494SS*.Hα-helixtrans-61.9-44.7172.5-71.5-179.9166.800111.8E293 R294 L300 A301E293-E297 PolarHBondContact O-N 3.47Å; R294-E297 PolarHBondContact O-N 3.01Å; R294-E297 VanDerWaalsContact O-N 3.16Å; E297-L300 PolarHBondContact O-N 3.18Å; E297-A301 PolarHBondContact O-N 3.31Å
298E81.6Confident86.8Confident105 Ų10596.4 Ų96.449%0.49150%0.497SS..Hα-helixtrans-61.2-46.1176-73172.6-173.100111.5R294 L300 A301 H302R294-E298 HydrophobicContact CG-CG 4.39Å; R294-E298 WeakPolarHBondContact CG-OE1 3.48Å; R294-E298 WeakPolarHBondContact O-CG 3.48Å; R294-E298 PolarHBondContact O-N 3.4Å; E298-L300 PolarHBondContact O-N 3.37Å; E298-A301 PolarHBondContact O-N 2.93Å; E298-H302 PolarHBondContact O-CD2 3.47Å; E298-H302 PolarHBondContact O-N 2.81Å
299A82.6Confident87.1Confident44 Ų4497 Ų9736%0.36450%0.496SS..Hα-helixtrans-59.5-44.7175.400000112.3A295 K296 H302 F303A295-A299 WeakPolarHBondContact O-CB 3.34Å; A295-A299 PolarHBondContact O-N 2.96Å; K296-A299 PolarHBondContact O-N 3.12Å; A299-H302 PolarHBondContact O-N 2.96Å; A299-F303 WeakPolarHBondContact O-CD2 3.39Å; A299-F303 PolarHBondContact O-N 3.4Å; A299-F303 VanDerWaalsContact O-N 3.14Å
300L88.9Confident87Confident97 Ų9794.6 Ų94.651%0.50849%0.487SS..Hα-helixtrans-60.3-46.9176.3-73.3168.7000111.6K296 E297 E298 H302 F303 E304K296-L300 HydrophobicContact CG-CD1 4.31Å; K296-L300 VanDerWaalsContact O-CG 3.28Å; K296-L300 WeakPolarHBondContact O-CG 3.06Å; K296-L300 PolarHBondContact O-N 3.22Å; E297-L300 PolarHBondContact O-N 3.18Å; E298-L300 PolarHBondContact O-N 3.37Å; L300-H302 VanDerWaalsContact C-N 3.28Å; L300-H302 PolarHBondContact O-N 2.93Å; L300-F303 PolarHBondContact O-N 2.83Å; L300-F303 VanDerWaalsContact O-N 3.1Å; L300-E304 WeakPolarHBondContact O-CG 3.3Å; L300-E304 PolarHBondContact O-N 2.78Å
301A88.9Confident87.2Confident55 Ų5595.3 Ų95.346%0.45548%0.482SS..Hα-helixtrans-60.5-36.1177.800000112.7E297 E298 K305E297-A301 PolarHBondContact O-N 3.31Å; E298-A301 PolarHBondContact O-N 2.93Å; A301-K305 PolarHBondContact O-N 2.89Å; A301-K305 VanDerWaalsContact O-N 3.16Å
302H85.9Confident87.7Confident129 Ų12997.7 Ų97.760%0.59750%0.495SS*.Hα-helixtrans-65.6-40.2173.7-75.4-58.8000112.8E298 A299 L300 L306E298-H302 PolarHBondContact O-CD2 3.47Å; E298-H302 PolarHBondContact O-N 2.81Å; A299-H302 PolarHBondContact O-N 2.96Å; L300-H302 VanDerWaalsContact C-N 3.28Å; L300-H302 PolarHBondContact O-N 2.93Å; H302-L306 PolarHBondContact O-N 3.04Å
303F87.8Confident88.2Confident75 Ų75103.7 Ų103.733%0.32950%0.503SS..Hα-helixtrans-70.1-40.2175.2-78.1-68.3000112.9A299 L300 K305 L306 F307 F412A299-F303 WeakPolarHBondContact O-CD2 3.39Å; A299-F303 PolarHBondContact O-N 3.4Å; A299-F303 VanDerWaalsContact O-N 3.14Å; L300-F303 PolarHBondContact O-N 2.83Å; L300-F303 VanDerWaalsContact O-N 3.1Å; F303-K305 VanDerWaalsContact C-N 3.3Å; F303-K305 PolarHBondContact O-N 3Å; F303-L306 HydrophobicContact CD1-CD1 4.31Å; F303-L306 WeakPolarHBondContact O-CB 3.23Å; F303-L306 PolarHBondContact O-N 2.7Å; F303-L306 VanDerWaalsContact O-N 3.1Å; F303-F307 HydrophobicContact CB-CE2 4.24Å; F303-F307 WeakPolarHBondContact O-CD2 3.25Å; F303-F307 PolarHBondContact O-N 2.89Å; F303-F412 HydrophobicContact CD1-CZ 4.47Å; F303-F412 HydrophobicContact CE1-CD2 4.07Å; F303-F412 HydrophobicContact CE1-CE1 4.03Å; F303-F412 AromaticContact CE1-CE2 3.46Å; F303-F412 HydrophobicContact CE1-CE2 3.46Å; F303-F412 VanDerWaalsContact CE1-CE2 3.46Å; F303-F412 AromaticContact CE1-CZ 3.42Å; F303-F412 HydrophobicContact CE1-CZ 3.42Å; F303-F412 VanDerWaalsContact CE1-CZ 3.42Å; F303-F412 HydrophobicContact CE2-CD1 4.47Å; F303-F412 AromaticContact CZ-CD1 3.87Å; F303-F412 HydrophobicContact CZ-CD1 3.87Å; F303-F412 AromaticContact CZ-CD2 3.56Å; F303-F412 HydrophobicContact CZ-CD2 3.56Å; F303-F412 AromaticContact CZ-CE1 3.77Å; F303-F412 HydrophobicContact CZ-CE1 3.77Å; F303-F412 AromaticContact CZ-CE2 3.44Å; F303-F412 HydrophobicContact CZ-CE2 3.44Å; F303-F412 VanDerWaalsContact CZ-CE2 3.44Å; F303-F412 AromaticContact CZ-CG 3.74Å; F303-F412 HydrophobicContact CZ-CG 3.74Å; F303-F412 AromaticContact CZ-CZ 3.53Å; F303-F412 HydrophobicContact CZ-CZ 3.53Å
304E92.4Very high88.3Confident136 Ų136104.5 Ų104.564%0.63651%0.505SS*.Hα-helixtrans-57.7-43.2175.2-73.9-176.7172.300111.6L300 L306 F307 E308L300-E304 WeakPolarHBondContact O-CG 3.3Å; L300-E304 PolarHBondContact O-N 2.78Å; E304-L306 VanDerWaalsContact C-N 3.34Å; E304-L306 PolarHBondContact O-N 3.28Å; E304-F307 PolarHBondContact O-N 2.95Å; E304-E308 PolarHBondContact O-N 2.73Å
305K91.4Very high88.9Confident131 Ų131100 Ų10057%0.5749%0.494SS*.Hα-helixtrans-63.3-36.2174.6-172.4175.4-177.6177.50113.3A301 F303 I309A301-K305 PolarHBondContact O-N 2.89Å; A301-K305 VanDerWaalsContact O-N 3.16Å; F303-K305 VanDerWaalsContact C-N 3.3Å; F303-K305 PolarHBondContact O-N 3Å; K305-I309 HydrophobicContact CG-CD1 4.37Å; K305-I309 WeakPolarHBondContact O-CG1 3.4Å; K305-I309 PolarHBondContact O-N 3.45Å
306L89.4Confident89.6Confident64 Ų64100.4 Ų100.434%0.33549%0.494SS..Hα-helixtrans-65.6-42173-82.7163.4000111.4H302 F303 E304 I309 L310H302-L306 PolarHBondContact O-N 3.04Å; F303-L306 HydrophobicContact CD1-CD1 4.31Å; F303-L306 WeakPolarHBondContact O-CB 3.23Å; F303-L306 PolarHBondContact O-N 2.7Å; F303-L306 VanDerWaalsContact O-N 3.1Å; E304-L306 VanDerWaalsContact C-N 3.34Å; E304-L306 PolarHBondContact O-N 3.28Å; L306-I309 PolarHBondContact O-N 2.9Å; L306-L310 VanDerWaalsContact O-CG 3.31Å; L306-L310 WeakPolarHBondContact O-CG 3.33Å; L306-L310 PolarHBondContact O-N 2.95Å; L306-L310 VanDerWaalsContact O-N 3.11Å
307F90.2Very high89.9Confident139 Ų13997.5 Ų97.561%0.6149%0.485SS*.Hα-helixtrans-63.7-41.2175.4-69.2-57.3000112.4F303 E304 L310 E311F303-F307 HydrophobicContact CB-CE2 4.24Å; F303-F307 WeakPolarHBondContact O-CD2 3.25Å; F303-F307 PolarHBondContact O-N 2.89Å; E304-F307 PolarHBondContact O-N 2.95Å; F307-L310 PolarHBondContact O-N 2.86Å; F307-E311 WeakPolarHBondContact O-CB 3.24Å; F307-E311 PolarHBondContact O-N 2.89Å
308E94Very high90Very high132 Ų13296.2 Ų96.262%0.61748%0.481SS*.Hα-helixtrans-57.2-50.9176-173.3179.1-153.300111.4E304 L310 E311 D312E304-E308 PolarHBondContact O-N 2.73Å; E308-L310 VanDerWaalsContact C-N 3.32Å; E308-L310 PolarHBondContact O-N 3.01Å; E308-E311 PolarHBondContact O-N 3.09Å; E308-D312 WeakPolarHBondContact O-CB 3.43Å; E308-D312 PolarHBondContact O-N 2.61Å
309I92.1Very high90.6Very high100 Ų10097.6 Ų97.651%0.51349%0.485SS..Hα-helixtrans-60.9-39.8178.8-66.5166.2000111.8K305 L306 R313K305-I309 HydrophobicContact CG-CD1 4.37Å; K305-I309 WeakPolarHBondContact O-CG1 3.4Å; K305-I309 PolarHBondContact O-N 3.45Å; L306-I309 PolarHBondContact O-N 2.9Å; I309-R313 WeakPolarHBondContact O-CB 3.4Å; I309-R313 PolarHBondContact O-N 3.5Å
310L90.1Very high91Very high84 Ų8497.5 Ų97.544%0.4449%0.485SS..Hα-helixtrans-68.4-41.8178.2-72.4171.8000112.1L306 F307 E308 R313 K314 L407L306-L310 VanDerWaalsContact O-CG 3.31Å; L306-L310 WeakPolarHBondContact O-CG 3.33Å; L306-L310 PolarHBondContact O-N 2.95Å; L306-L310 VanDerWaalsContact O-N 3.11Å; F307-L310 PolarHBondContact O-N 2.86Å; E308-L310 VanDerWaalsContact C-N 3.32Å; E308-L310 PolarHBondContact O-N 3.01Å; L310-R313 PolarHBondContact O-N 3.11Å; L310-K314 WeakPolarHBondContact O-CB 3.41Å; L310-K314 PolarHBondContact O-N 3.09Å; L310-L407 HydrophobicContact CD1-CD1 4.45Å
311E92.7Very high91.1Very high101 Ų10195.1 Ų95.147%0.47247%0.472SS..Hα-helixtrans-69.1-38.5178.6-168.860.5-148.800111.5F307 E308 K314 S315F307-E311 WeakPolarHBondContact O-CB 3.24Å; F307-E311 PolarHBondContact O-N 2.89Å; E308-E311 PolarHBondContact O-N 3.09Å; E311-K314 PolarHBondContact O-N 2.95Å; E311-K314 WeakPolarHBondContact OE1-CE 3.28Å; E311-K314 IonicContact OE1-NZ 3.99Å; E311-K314 PolarHBondContact OE1-NZ 2.8Å; E311-K314 WeakPolarHBondContact OE2-CD 3.34Å; E311-K314 IonicContact OE2-NZ 3.53Å; E311-K314 PolarHBondContact OE2-NZ 2.8Å; E311-S315 VanDerWaalsContact O-CB 3.27Å; E311-S315 WeakPolarHBondContact O-CB 3.23Å; E311-S315 PolarHBondContact O-N 2.98Å
312D93.6Very high91.3Very high112 Ų11297 Ų9760%0.59947%0.474SS*.Hα-helixtrans-61.1-43.8171.5-106.93.3000111.8E308 S315 S316E308-D312 WeakPolarHBondContact O-CB 3.43Å; E308-D312 PolarHBondContact O-N 2.61Å; D312-S315 WeakPolarHBondContact O-CB 3.41Å; D312-S315 PolarHBondContact O-N 2.88Å; D312-S316 WeakPolarHBondContact O-CB 3.35Å; D312-S316 PolarHBondContact O-N 2.89Å
313R90.2Very high91.6Very high172 Ų17295.5 Ų95.565%0.64947%0.474SS*.Hα-helixtrans-64.7-42.3178.4-171.758.4174.8176.50.3111.8I309 L310 S316 V317I309-R313 WeakPolarHBondContact O-CB 3.4Å; I309-R313 PolarHBondContact O-N 3.5Å; L310-R313 PolarHBondContact O-N 3.11Å; R313-S316 PolarHBondContact O-N 3.49Å; R313-V317 WeakPolarHBondContact O-CG2 3.45Å; R313-V317 PolarHBondContact O-N 3.2Å; R313-V317 VanDerWaalsContact O-N 3.11Å
314K90.1Very high91.8Very high108 Ų10892.8 Ų92.847%0.4747%0.465SS..Hα-helixtrans-60.2-48.3172.7169.3-172.2166-147.20111.5L310 E311 S316 V317 L318L310-K314 WeakPolarHBondContact O-CB 3.41Å; L310-K314 PolarHBondContact O-N 3.09Å; E311-K314 PolarHBondContact O-N 2.95Å; E311-K314 WeakPolarHBondContact OE1-CE 3.28Å; E311-K314 IonicContact OE1-NZ 3.99Å; E311-K314 PolarHBondContact OE1-NZ 2.8Å; E311-K314 WeakPolarHBondContact OE2-CD 3.34Å; E311-K314 IonicContact OE2-NZ 3.53Å; E311-K314 PolarHBondContact OE2-NZ 2.8Å; K314-S316 VanDerWaalsContact C-N 3.33Å; K314-S316 PolarHBondContact O-N 3.29Å; K314-V317 PolarHBondContact O-N 2.83Å; K314-L318 HydrophobicContact CG-CD1 4.17Å; K314-L318 WeakPolarHBondContact O-CG 3.28Å; K314-L318 PolarHBondContact O-N 2.83Å
315S93.5Very high91.8Very high37 Ų3791.3 Ų91.326%0.25946%0.456SS..Hα-helixtrans-57.6-43.7176.7-172.70000111.9E311 D312 K319E311-S315 VanDerWaalsContact O-CB 3.27Å; E311-S315 WeakPolarHBondContact O-CB 3.23Å; E311-S315 PolarHBondContact O-N 2.98Å; D312-S315 WeakPolarHBondContact O-CB 3.41Å; D312-S315 PolarHBondContact O-N 2.88Å; S315-K319 WeakPolarHBondContact O-CB 3.31Å; S315-K319 WeakPolarHBondContact O-CD 3.31Å; S315-K319 VanDerWaalsContact O-CG 3.26Å; S315-K319 WeakPolarHBondContact O-CG 3.34Å; S315-K319 PolarHBondContact O-N 3.04Å; S315-K319 VanDerWaalsContact O-N 3.08Å; S315-K319 WeakPolarHBondContact OG-CE 3.4Å; S315-K319 PolarHBondContact OG-NZ 3.42Å
316S93Very high91.9Very high62 Ų6291.5 Ų91.543%0.43446%0.457SS..Hα-helixtrans-60.9-47.5176.6-176.50000112.6D312 R313 K314 K319 A320D312-S316 WeakPolarHBondContact O-CB 3.35Å; D312-S316 PolarHBondContact O-N 2.89Å; R313-S316 PolarHBondContact O-N 3.49Å; K314-S316 VanDerWaalsContact C-N 3.33Å; K314-S316 PolarHBondContact O-N 3.29Å; S316-K319 PolarHBondContact O-N 3.39Å; S316-A320 PolarHBondContact O-N 3.11Å; S316-A320 VanDerWaalsContact O-N 3.11Å
317V90.3Very high92.1Very high43 Ų4393.2 Ų93.226%0.26147%0.466SS..Hα-helixtrans-64.6-44.8179.8171.90000111.7R313 K314 K319 A320 I321 V398R313-V317 WeakPolarHBondContact O-CG2 3.45Å; R313-V317 PolarHBondContact O-N 3.2Å; R313-V317 VanDerWaalsContact O-N 3.11Å; K314-V317 PolarHBondContact O-N 2.83Å; V317-K319 PolarHBondContact O-N 2.97Å; V317-A320 PolarHBondContact O-N 3.35Å; V317-I321 HydrophobicContact CG1-CD1 4.03Å; V317-I321 WeakPolarHBondContact O-CG1 3.18Å; V317-I321 PolarHBondContact O-N 3.46Å; V317-I321 VanDerWaalsContact O-N 3.08Å; V317-V398 HydrophobicContact CG1-CG2 3.78Å
318L91.6Very high92.2Very high95 Ų9588.2 Ų88.250%0.49744%0.443SS..Hα-helixtrans-61.2-45.9178.1-68.8173000111.8K314 A320 I321 D322K314-L318 HydrophobicContact CG-CD1 4.17Å; K314-L318 WeakPolarHBondContact O-CG 3.28Å; K314-L318 PolarHBondContact O-N 2.83Å; L318-A320 VanDerWaalsContact C-N 3.28Å; L318-A320 PolarHBondContact O-N 3.49Å; L318-I321 PolarHBondContact O-N 3.08Å; L318-D322 PolarHBondContact O-N 3.29Å
319K93.4Very high92.2Very high133 Ų13386.1 Ų86.158%0.57844%0.436SS*.Hα-helixtrans-58.4-37.9175.4-73.5165.2-178.9159.90112.5S315 S316 V317 T323S315-K319 WeakPolarHBondContact O-CB 3.31Å; S315-K319 WeakPolarHBondContact O-CD 3.31Å; S315-K319 VanDerWaalsContact O-CG 3.26Å; S315-K319 WeakPolarHBondContact O-CG 3.34Å; S315-K319 PolarHBondContact O-N 3.04Å; S315-K319 VanDerWaalsContact O-N 3.08Å; S315-K319 WeakPolarHBondContact OG-CE 3.4Å; S315-K319 PolarHBondContact OG-NZ 3.42Å; S316-K319 PolarHBondContact O-N 3.39Å; V317-K319 PolarHBondContact O-N 2.97Å; K319-T323 WeakPolarHBondContact O-CB 3.46Å; K319-T323 PolarHBondContact O-N 3.41Å; K319-T323 PolarHBondContact O-OG1 2.89Å
320A91.2Very high92.3Very high43 Ų4385 Ų8536%0.35543%0.431SS..Hα-helixtrans-67.5-40.6177.600000112.2S316 V317 L318 S324 Y396S316-A320 PolarHBondContact O-N 3.11Å; S316-A320 VanDerWaalsContact O-N 3.11Å; V317-A320 PolarHBondContact O-N 3.35Å; L318-A320 VanDerWaalsContact C-N 3.28Å; L318-A320 PolarHBondContact O-N 3.49Å; A320-S324 WeakPolarHBondContact O-CB 3.35Å; A320-S324 PolarHBondContact O-N 2.97Å; A320-Y396 HydrophobicContact CB-CE1 4.24Å
321I91.7Very high92.4Very high46 Ų4685.8 Ų85.824%0.23643%0.431CS..Hα-helixtrans-63.9-48.7175.2-66.9166.8000110.6V317 L318 T323 S324 K325 F393 Y396V317-I321 HydrophobicContact CG1-CD1 4.03Å; V317-I321 WeakPolarHBondContact O-CG1 3.18Å; V317-I321 PolarHBondContact O-N 3.46Å; V317-I321 VanDerWaalsContact O-N 3.08Å; L318-I321 PolarHBondContact O-N 3.08Å; I321-T323 VanDerWaalsContact C-N 3.35Å; I321-T323 PolarHBondContact O-N 2.96Å; I321-S324 PolarHBondContact O-N 2.67Å; I321-K325 VanDerWaalsContact O-CB 3.31Å; I321-K325 WeakPolarHBondContact O-CB 3.35Å; I321-K325 PolarHBondContact O-N 3.05Å; I321-F393 HydrophobicContact CG2-CD1 4.27Å; I321-F393 HydrophobicContact CG2-CE1 4.26Å; I321-Y396 HydrophobicContact CG1-CD1 3.6Å; I321-Y396 HydrophobicContact CG1-CE1 4.29Å; I321-Y396 HydrophobicContact CG1-CG 3.97Å
322D93.1Very high92.4Very high95 Ų9583.9 Ų83.951%0.50842%0.421SS..Hα-helixtrans-63.1-39179.2-84.1-37.4000112.6L318 K325 K326L318-D322 PolarHBondContact O-N 3.29Å; D322-K325 PolarHBondContact O-N 3.34Å; D322-K326 WeakPolarHBondContact O-CB 3.48Å; D322-K326 PolarHBondContact O-N 2.84Å
323T93.1Very high92.4Very high97 Ų9784.2 Ų84.260%0.59542%0.419SS*.Hα-helixtrans-63.8-44.1175.4-560000111.2K319 I321 K326 L327K319-T323 WeakPolarHBondContact O-CB 3.46Å; K319-T323 PolarHBondContact O-N 3.41Å; K319-T323 PolarHBondContact O-OG1 2.89Å; I321-T323 VanDerWaalsContact C-N 3.35Å; I321-T323 PolarHBondContact O-N 2.96Å; T323-K326 PolarHBondContact O-N 3.32Å; T323-L327 WeakPolarHBondContact O-CB 3.36Å; T323-L327 PolarHBondContact O-N 2.86Å
324S91Very high92.4Very high18 Ų1879.5 Ų79.513%0.12641%0.409CS..Hα-helixtrans-65.7-42.6177.5-167.30000112A320 I321 L327 R328 Y396A320-S324 WeakPolarHBondContact O-CB 3.35Å; A320-S324 PolarHBondContact O-N 2.97Å; I321-S324 PolarHBondContact O-N 2.67Å; S324-L327 PolarHBondContact O-N 3.42Å; S324-R328 VanDerWaalsContact O-CG 3.26Å; S324-R328 WeakPolarHBondContact O-CG 3.31Å; S324-R328 PolarHBondContact O-N 2.92Å; S324-Y396 VanDerWaalsContact CB-OH 3.24Å; S324-Y396 WeakPolarHBondContact CB-OH 3.29Å; S324-Y396 PolarHBondContact OG-OH 3.12Å
325K92.8Very high92.4Very high105 Ų10575.8 Ų75.846%0.45739%0.393SS..Hα-helixtrans-57.3-49.6172.9176.5-175.8170.1-171.30111.4I321 D322 R328 L329 F393I321-K325 VanDerWaalsContact O-CB 3.31Å; I321-K325 WeakPolarHBondContact O-CB 3.35Å; I321-K325 PolarHBondContact O-N 3.05Å; D322-K325 PolarHBondContact O-N 3.34Å; K325-R328 PolarHBondContact O-N 2.8Å; K325-L329 HydrophobicContact CG-CD1 4.04Å; K325-L329 WeakPolarHBondContact O-CG 3.4Å; K325-L329 PolarHBondContact O-N 2.87Å; K325-F393 HydrophobicContact CB-CE1 4.09Å; K325-F393 HydrophobicContact CB-CZ 3.73Å; K325-F393 HydrophobicContact CG-CZ 4.26Å
326K93.9Very high92.1Very high135 Ų13577.5 Ų77.559%0.58740%0.402SS*.Hα-helixtrans-59.1-51.2178-174.6176.7177.1-178.40111.2D322 T323 R328 L329 D330D322-K326 WeakPolarHBondContact O-CB 3.48Å; D322-K326 PolarHBondContact O-N 2.84Å; T323-K326 PolarHBondContact O-N 3.32Å; K326-R328 VanDerWaalsContact C-N 3.26Å; K326-R328 PolarHBondContact O-N 2.87Å; K326-L329 PolarHBondContact O-N 3.11Å; K326-L329 VanDerWaalsContact O-N 3.09Å; K326-D330 PolarHBondContact O-N 3.48Å
327L92.8Very high91.9Very high100 Ų10079.9 Ų79.952%0.52441%0.407SS..Hα-helixtrans-58.1-36.1179.3-177.565.3000113.3T323 S324 K331T323-L327 WeakPolarHBondContact O-CB 3.36Å; T323-L327 PolarHBondContact O-N 2.86Å; S324-L327 PolarHBondContact O-N 3.42Å; L327-K331 WeakPolarHBondContact O-CG 3.35Å; L327-K331 PolarHBondContact O-N 2.83Å
328R92.6Very high91.6Very high34 Ų3483.6 Ų83.613%0.12842%0.421CS..Hα-helixtrans-72.6-41.3175.9-68.3167.8178.5-160.3-5.6112S324 K325 K326 K331 F332 A389 S392 D395S324-R328 VanDerWaalsContact O-CG 3.26Å; S324-R328 WeakPolarHBondContact O-CG 3.31Å; S324-R328 PolarHBondContact O-N 2.92Å; K325-R328 PolarHBondContact O-N 2.8Å; K326-R328 VanDerWaalsContact C-N 3.26Å; K326-R328 PolarHBondContact O-N 2.87Å; R328-K331 PolarHBondContact O-N 3.02Å; R328-F332 WeakPolarHBondContact O-CD2 3.3Å; R328-F332 WeakPolarHBondContact O-CG 3.3Å; R328-F332 PolarHBondContact O-N 3.27Å; R328-A389 HydrophobicContact CB-CB 4.24Å; R328-A389 HydrophobicContact CG-CB 4.14Å; R328-S392 PolarHBondContact NH1-O 3.18Å; R328-S392 PolarHBondContact NH2-O 3.47Å; R328-D395 IonicContact NH2-OD2 2.7Å
329L93.7Very high91.1Very high89 Ų8982.3 Ų82.347%0.46641%0.41SS..Hα-helixtrans-63.2-42.8174.3-72.4172.2000111.8K325 K326 K331 F332 H333K325-L329 HydrophobicContact CG-CD1 4.04Å; K325-L329 WeakPolarHBondContact O-CG 3.4Å; K325-L329 PolarHBondContact O-N 2.87Å; K326-L329 PolarHBondContact O-N 3.11Å; K326-L329 VanDerWaalsContact O-N 3.09Å; L329-K331 VanDerWaalsContact C-N 3.34Å; L329-K331 PolarHBondContact O-N 2.92Å; L329-F332 PolarHBondContact O-N 2.8Å; L329-F332 VanDerWaalsContact O-N 3.16Å; L329-H333 PolarHBondContact O-N 2.91Å
330D94.3Very high90.6Very high76 Ų7681.2 Ų81.241%0.40641%0.407SS..Hα-helixtrans-59.1-45.4176.3-64.3-19.6000110.4K326 F332 H333 T334K326-D330 PolarHBondContact O-N 3.48Å; D330-F332 PolarHBondContact O-N 2.97Å; D330-H333 WeakPolarHBondContact O-CB 3.36Å; D330-H333 PolarHBondContact O-N 2.95Å; D330-T334 PolarHBondContact O-N 3.18Å; D330-T334 PolarHBondContact O-OG1 2.97Å
331K92.8Very high90Very high101 Ų10180.5 Ų80.544%0.43940%0.404SS..Hα-helixtrans-60.1-40.8173.9-75.2177.3179.9-172.80113.5L327 R328 L329 Q335 A388 A389L327-K331 WeakPolarHBondContact O-CG 3.35Å; L327-K331 PolarHBondContact O-N 2.83Å; R328-K331 PolarHBondContact O-N 3.02Å; L329-K331 VanDerWaalsContact C-N 3.34Å; L329-K331 PolarHBondContact O-N 2.92Å; K331-Q335 WeakPolarHBondContact O-CB 3.43Å; K331-Q335 PolarHBondContact O-N 2.92Å; K331-A388 HydrophobicContact CB-CB 4.37Å; K331-A389 HydrophobicContact CD-CB 4.41Å
332F91.9Very high89.2Confident60 Ų6081.5 Ų81.526%0.26341%0.409SS..Hα-helixtrans-67.7-38.5175.4-67.5-47.2000111.7R328 L329 D330 Q335 V336 P387 A389R328-F332 WeakPolarHBondContact O-CD2 3.3Å; R328-F332 WeakPolarHBondContact O-CG 3.3Å; R328-F332 PolarHBondContact O-N 3.27Å; L329-F332 PolarHBondContact O-N 2.8Å; L329-F332 VanDerWaalsContact O-N 3.16Å; D330-F332 PolarHBondContact O-N 2.97Å; F332-Q335 PolarHBondContact O-N 2.84Å; F332-V336 VanDerWaalsContact O-CG2 3.32Å; F332-V336 WeakPolarHBondContact O-CG2 3.37Å; F332-V336 PolarHBondContact O-N 2.82Å; F332-P387 HydrophobicContact CE1-CB 4.11Å; F332-A389 HydrophobicContact CE1-CB 3.97Å; F332-A389 WeakPolarHBondContact CE1-O 3.31Å; F332-A389 HydrophobicContact CE2-CB 4.35Å; F332-A389 HydrophobicContact CZ-CB 3.8Å; F332-A389 VanDerWaalsContact CZ-O 3.28Å; F332-A389 WeakPolarHBondContact CZ-O 3.43Å
333H93.5Very high88.1Confident120 Ų12082.2 Ų82.256%0.55641%0.412SS*.Hα-helixtrans-60.5-50.2174.8-107.5-76000111.7L329 D330 Q335 V336 E337L329-H333 PolarHBondContact O-N 2.91Å; D330-H333 WeakPolarHBondContact O-CB 3.36Å; D330-H333 PolarHBondContact O-N 2.95Å; H333-Q335 VanDerWaalsContact C-N 3.32Å; H333-Q335 PolarHBondContact O-N 2.73Å; H333-V336 PolarHBondContact O-N 3.1Å; H333-V336 VanDerWaalsContact O-N 3.1Å; H333-E337 WeakPolarHBondContact O-CG 3.19Å; H333-E337 PolarHBondContact O-N 2.91Å
334T91.3Very high86.9Confident73 Ų7385.3 Ų85.345%0.44842%0.42SS..Hα-helixtrans-59.3-42.2176-52.50000111.8D330 V336 E337 E338D330-T334 PolarHBondContact O-N 3.18Å; D330-T334 PolarHBondContact O-OG1 2.97Å; T334-V336 VanDerWaalsContact C-N 3.33Å; T334-V336 PolarHBondContact O-N 2.94Å; T334-E337 PolarHBondContact O-N 2.8Å; T334-E338 WeakPolarHBondContact O-CG 3.37Å; T334-E338 PolarHBondContact O-N 2.69Å
335Q89.2Confident85.6Confident29 Ų2988.1 Ų88.114%0.13643%0.434CS..Hα-helixtrans-64.3-36.5176.2-174.5170.74300112.5K331 F332 H333 Y339 R386 A388K331-Q335 WeakPolarHBondContact O-CB 3.43Å; K331-Q335 PolarHBondContact O-N 2.92Å; F332-Q335 PolarHBondContact O-N 2.84Å; H333-Q335 VanDerWaalsContact C-N 3.32Å; H333-Q335 PolarHBondContact O-N 2.73Å; Q335-Y339 HydrophobicContact CG-CD2 4.18Å; Q335-Y339 HydrophobicContact CG-CE2 4.19Å; Q335-Y339 VanDerWaalsContact O-CD2 3.26Å; Q335-Y339 WeakPolarHBondContact O-CD2 3.32Å; Q335-Y339 PolarHBondContact O-N 3.48Å; Q335-R386 PolarHBondContact NE2-O 2.76Å; Q335-A388 HydrophobicContact CB-CB 4.21Å
336V88.1Confident84.3Confident74 Ų7487.7 Ų87.745%0.44844%0.437SS..Hα-helixtrans-66.6-43.6174.4167.40000110.8F332 H333 T334 Y339 Q340F332-V336 VanDerWaalsContact O-CG2 3.32Å; F332-V336 WeakPolarHBondContact O-CG2 3.37Å; F332-V336 PolarHBondContact O-N 2.82Å; H333-V336 PolarHBondContact O-N 3.1Å; H333-V336 VanDerWaalsContact O-N 3.1Å; T334-V336 VanDerWaalsContact C-N 3.33Å; T334-V336 PolarHBondContact O-N 2.94Å; V336-Y339 PolarHBondContact O-N 3.11Å; V336-Q340 HydrophobicContact CG1-CG 4.28Å; V336-Q340 WeakPolarHBondContact O-CB 3.04Å; V336-Q340 VanDerWaalsContact O-CG 3.28Å; V336-Q340 WeakPolarHBondContact O-CG 3.15Å; V336-Q340 PolarHBondContact O-N 2.91Å
337E87.9Confident83.1Confident112 Ų11283.9 Ų83.952%0.52344%0.436SS..Hα-helixtrans-61.7-42.8176.6-72.4169.1-173.500112H333 T334 Y339 Q340 G341H333-E337 WeakPolarHBondContact O-CG 3.19Å; H333-E337 PolarHBondContact O-N 2.91Å; T334-E337 PolarHBondContact O-N 2.8Å; E337-Y339 PolarHBondContact O-N 3.1Å; E337-Q340 PolarHBondContact O-N 3.27Å; E337-G341 PolarHBondContact O-N 3.3Å
338E83Confident82.4Confident120 Ų12080.2 Ų80.256%0.56142%0.416SS*.Hα-helixtrans-58.9-45.1174.3-75.4177.9174.200112.3T334 G341 L342T334-E338 WeakPolarHBondContact O-CG 3.37Å; T334-E338 PolarHBondContact O-N 2.69Å; E338-G341 PolarHBondContact O-N 2.87Å; E338-L342 WeakPolarHBondContact O-CG 3.44Å; E338-L342 PolarHBondContact O-N 3Å
339Y81.6Confident81.8Confident69 Ų6982.5 Ų82.527%0.27143%0.434SS..Hα-helixtrans-74.1-29.2179.1-84.2-109.7000112.7Q335 V336 E337 L342 L343 F385Q335-Y339 HydrophobicContact CG-CD2 4.18Å; Q335-Y339 HydrophobicContact CG-CE2 4.19Å; Q335-Y339 VanDerWaalsContact O-CD2 3.26Å; Q335-Y339 WeakPolarHBondContact O-CD2 3.32Å; Q335-Y339 PolarHBondContact O-N 3.48Å; V336-Y339 PolarHBondContact O-N 3.11Å; E337-Y339 PolarHBondContact O-N 3.1Å; Y339-L342 PolarHBondContact O-N 3.43Å; Y339-L343 PolarHBondContact O-N 3.22Å; Y339-L343 VanDerWaalsContact O-N 3.09Å; Y339-F385 AromaticContact CE1-CD2 3.96Å; Y339-F385 HydrophobicContact CE1-CD2 3.96Å; Y339-F385 AromaticContact CZ-CD2 3.83Å
340Q83.7Confident81.2Confident110 Ų11079.7 Ų79.751%0.51443%0.427SS..Hα-helixtrans-66.8-44.7169.7-76.3174.2-11.100111.1V336 E337 L342 L343 E344V336-Q340 HydrophobicContact CG1-CG 4.28Å; V336-Q340 WeakPolarHBondContact O-CB 3.04Å; V336-Q340 VanDerWaalsContact O-CG 3.28Å; V336-Q340 WeakPolarHBondContact O-CG 3.15Å; V336-Q340 PolarHBondContact O-N 2.91Å; E337-Q340 PolarHBondContact O-N 3.27Å; Q340-L342 VanDerWaalsContact C-N 3.29Å; Q340-L342 PolarHBondContact O-N 3.33Å; Q340-L343 CarbonylContact O-C 3.59Å; Q340-L343 WeakPolarHBondContact O-CA 3.43Å; Q340-L343 WeakPolarHBondContact O-CB 3.22Å; Q340-L343 PolarHBondContact O-N 2.92Å; Q340-E344 PolarHBondContact O-N 2.9Å
341G78.4Confident80.8Confident28 Ų2881 Ų8129%0.28943%0.427SS..Hα-helixtrans-62-33.1172.800000113.3E337 E338 L343 E344 N345E337-G341 PolarHBondContact O-N 3.3Å; E338-G341 PolarHBondContact O-N 2.87Å; G341-L343 VanDerWaalsContact C-N 3.33Å; G341-E344 PolarHBondContact O-N 3.36Å; G341-N345 PolarHBondContact O-N 2.84Å; G341-N345 PolarHBondContact O-ND2 3.49Å
342L74.9Confident80.4Confident66 Ų6677 Ų7735%0.34641%0.412SS..Hα-helixtrans-65-34168.7-74.6172.5000112.5E338 Y339 Q340 N345E338-L342 WeakPolarHBondContact O-CG 3.44Å; E338-L342 PolarHBondContact O-N 3Å; Y339-L342 PolarHBondContact O-N 3.43Å; Q340-L342 VanDerWaalsContact C-N 3.29Å; Q340-L342 PolarHBondContact O-N 3.33Å; L342-N345 WeakPolarHBondContact O-CB 3.42Å; L342-N345 PolarHBondContact O-N 3.21Å
343L69.3Low80.1Confident111 Ų11179.7 Ų79.758%0.58143%0.425SS*.Hα-helixtrans-74.6-31.4175.3-169.766.9000112.7Y339 Q340 G341 N345 N346Y339-L343 PolarHBondContact O-N 3.22Å; Y339-L343 VanDerWaalsContact O-N 3.09Å; Q340-L343 CarbonylContact O-C 3.59Å; Q340-L343 WeakPolarHBondContact O-CA 3.43Å; Q340-L343 WeakPolarHBondContact O-CB 3.22Å; Q340-L343 PolarHBondContact O-N 2.92Å; G341-L343 VanDerWaalsContact C-N 3.33Å; L343-N345 PolarHBondContact O-N 3.25Å; L343-N346 VanDerWaalsContact O-CB 3.23Å; L343-N346 WeakPolarHBondContact O-CB 3.46Å; L343-N346 PolarHBondContact O-N 2.67Å; L343-N346 PolarHBondContact O-ND2 2.64Å; L343-N346 VanDerWaalsContact O-ND2 3.12Å
344E68.3Low79.8Confident161 Ų16179.1 Ų79.175%0.75242%0.423SS*.Hα-helixtrans-63.6-22.2171.2-69.1-179.1169.800112.3Q340 G341 N346Q340-E344 PolarHBondContact O-N 2.9Å; G341-E344 PolarHBondContact O-N 3.36Å; E344-N346 PolarHBondContact O-N 2.78Å
345N64.4Low79.7Confident77 Ų7776.3 Ų76.341%0.41241%0.406SS..THydrogen-bonded Turntrans-68.910.4165.8-70.1-89.1000113.6G341 L342 L343 G347 L348G341-N345 PolarHBondContact O-N 2.84Å; G341-N345 PolarHBondContact O-ND2 3.49Å; L342-N345 WeakPolarHBondContact O-CB 3.42Å; L342-N345 PolarHBondContact O-N 3.21Å; L343-N345 PolarHBondContact O-N 3.25Å; N345-G347 PolarHBondContact O-N 3.01Å; N345-G347 VanDerWaalsContact O-N 3.13Å; N345-L348 WeakPolarHBondContact O-CA 3.16Å; N345-L348 WeakPolarHBondContact O-CB 3.43Å; N345-L348 PolarHBondContact O-N 3.37Å
346N63.8Low79.6Confident97 Ų9781 Ų8152%0.51943%0.431SS..THydrogen-bonded Turntrans-53-26.8164.5-88.3-28.3000112.8L343 E344 L348 V349 G350L343-N346 VanDerWaalsContact O-CB 3.23Å; L343-N346 WeakPolarHBondContact O-CB 3.46Å; L343-N346 PolarHBondContact O-N 2.67Å; L343-N346 PolarHBondContact O-ND2 2.64Å; L343-N346 VanDerWaalsContact O-ND2 3.12Å; E344-N346 PolarHBondContact O-N 2.78Å; N346-L348 PolarHBondContact O-N 2.81Å; N346-V349 WeakPolarHBondContact O-CB 3.36Å; N346-V349 PolarHBondContact O-N 3Å; N346-G350 PolarHBondContact O-N 3.1Å
347G70.3Confident79.8Confident55 Ų5583.6 Ų83.657%0.56744%0.436SS*.Hα-helixtrans-57.7-23.7168.700000114.1N345 V349 G350 Y351N345-G347 PolarHBondContact O-N 3.01Å; N345-G347 VanDerWaalsContact O-N 3.13Å; G347-V349 VanDerWaalsContact C-N 3.33Å; G347-G350 PolarHBondContact O-N 2.95Å; G347-Y351 VanDerWaalsContact O-CB 3.24Å; G347-Y351 WeakPolarHBondContact O-CB 3.41Å; G347-Y351 PolarHBondContact O-N 3.19Å
348L78.2Confident80Confident22 Ų2282.7 Ų82.712%0.11543%0.432CS..Hα-helixtrans-66.9-32.4172.2-163.882.2000112N345 N346 A352 L371 R374 I375N345-L348 WeakPolarHBondContact O-CA 3.16Å; N345-L348 WeakPolarHBondContact O-CB 3.43Å; N345-L348 PolarHBondContact O-N 3.37Å; N346-L348 PolarHBondContact O-N 2.81Å; L348-A352 VanDerWaalsContact O-CB 3.24Å; L348-A352 WeakPolarHBondContact O-CB 3.35Å; L348-A352 PolarHBondContact O-N 2.76Å; L348-L371 HydrophobicContact CD1-CD1 4.08Å; L348-L371 HydrophobicContact CG-CD1 4.16Å; L348-R374 HydrophobicContact CD1-CB 4.12Å; L348-R374 HydrophobicContact CD2-CB 4.31Å; L348-I375 HydrophobicContact CD2-CG1 3.78Å; L348-I375 HydrophobicContact CG-CG1 4.48Å
349V79.1Confident80.2Confident82 Ų8283.1 Ų83.150%0.49744%0.443SS..Hα-helixtrans-71.5-44.5176.3-178.30000110.1N346 G347 A352 Q353N346-V349 WeakPolarHBondContact O-CB 3.36Å; N346-V349 PolarHBondContact O-N 3Å; G347-V349 VanDerWaalsContact C-N 3.33Å; V349-A352 WeakPolarHBondContact O-CB 3.46Å; V349-A352 PolarHBondContact O-N 3.3Å; V349-Q353 WeakPolarHBondContact O-CG 3.32Å; V349-Q353 PolarHBondContact O-N 3.14Å
350G82.2Confident80.8Confident31 Ų3183.2 Ų83.232%0.3245%0.448SS..Hα-helixtrans-61.5-45.9172.300000112.2N346 G347 A352 Q353 E354N346-G350 PolarHBondContact O-N 3.1Å; G347-G350 PolarHBondContact O-N 2.95Å; G350-A352 VanDerWaalsContact C-N 3.32Å; G350-A352 PolarHBondContact O-N 3.38Å; G350-Q353 WeakPolarHBondContact O-CB 3.33Å; G350-Q353 PolarHBondContact O-N 3.05Å; G350-Q353 VanDerWaalsContact O-N 3.12Å; G350-E354 PolarHBondContact O-N 3.32Å
351Y84Confident81Confident104 Ų10485.8 Ų85.841%0.40846%0.46SS..Hα-helixtrans-60.4-39.6174.5178.2-117.8000112.4G347 E354 V355 T367 L371G347-Y351 VanDerWaalsContact O-CB 3.24Å; G347-Y351 WeakPolarHBondContact O-CB 3.41Å; G347-Y351 PolarHBondContact O-N 3.19Å; Y351-E354 PolarHBondContact O-N 3.03Å; Y351-V355 HydrophobicContact CD2-CG2 4.21Å; Y351-V355 HydrophobicContact CE1-CG2 4.15Å; Y351-V355 HydrophobicContact CE2-CG2 3.82Å; Y351-V355 VanDerWaalsContact O-CG2 3.32Å; Y351-V355 WeakPolarHBondContact O-CG2 3.4Å; Y351-V355 PolarHBondContact O-N 2.9Å; Y351-T367 VanDerWaalsContact OH-CG2 3.25Å; Y351-T367 WeakPolarHBondContact OH-CG2 3.48Å; Y351-L371 HydrophobicContact CD1-CD1 3.92Å; Y351-L371 HydrophobicContact CE1-CD1 4.2Å
352A85Confident81.5Confident15 Ų1588.3 Ų88.312%0.12447%0.473CS..Hα-helixtrans-62.8-41.2173.400000112.3L348 V349 G350 E354 V355 L356 L371 I375L348-A352 VanDerWaalsContact O-CB 3.24Å; L348-A352 WeakPolarHBondContact O-CB 3.35Å; L348-A352 PolarHBondContact O-N 2.76Å; V349-A352 WeakPolarHBondContact O-CB 3.46Å; V349-A352 PolarHBondContact O-N 3.3Å; G350-A352 VanDerWaalsContact C-N 3.32Å; G350-A352 PolarHBondContact O-N 3.38Å; A352-E354 VanDerWaalsContact C-N 3.33Å; A352-E354 PolarHBondContact O-N 2.7Å; A352-V355 PolarHBondContact O-N 2.68Å; A352-L356 VanDerWaalsContact O-CG 3.25Å; A352-L356 WeakPolarHBondContact O-CG 3.41Å; A352-L356 PolarHBondContact O-N 3.33Å; A352-L371 HydrophobicContact CB-CD1 4.16Å; A352-L371 HydrophobicContact CB-CD2 3.74Å; A352-L371 HydrophobicContact CB-CG 4.42Å; A352-I375 HydrophobicContact CB-CD1 4.36Å
353Q85.2Confident82.2Confident117 Ų11787.9 Ų87.955%0.54748%0.476SS..Hα-helixtrans-65-33.8175.8-72.3171.2-10.500112.7V349 G350V349-Q353 WeakPolarHBondContact O-CG 3.32Å; V349-Q353 PolarHBondContact O-N 3.14Å; G350-Q353 WeakPolarHBondContact O-CB 3.33Å; G350-Q353 PolarHBondContact O-N 3.05Å; G350-Q353 VanDerWaalsContact O-N 3.12Å
354E87.8Confident83.3Confident108 Ų10885.9 Ų85.951%0.50546%0.462SS..Hα-helixtrans-73.7-43.1172.8-64-51136.900112.4G350 Y351 A352 L356 K357G350-E354 PolarHBondContact O-N 3.32Å; Y351-E354 PolarHBondContact O-N 3.03Å; A352-E354 VanDerWaalsContact C-N 3.33Å; A352-E354 PolarHBondContact O-N 2.7Å; E354-L356 PolarHBondContact O-N 3.16Å; E354-K357 WeakPolarHBondContact O-CB 3.39Å; E354-K357 PolarHBondContact O-N 2.93Å; E354-K357 IonicContact OE1-NZ 3.18Å; E354-K357 PolarHBondContact OE1-NZ 3.32Å; E354-K357 WeakPolarHBondContact OE2-CD 3.38Å; E354-K357 WeakPolarHBondContact OE2-CE 3.49Å; E354-K357 IonicContact OE2-NZ 2.71Å; E354-K357 PolarHBondContact OE2-NZ 3Å
355V89.3Confident84.3Confident15 Ų1582.8 Ų82.89%0.09145%0.454CS..Hα-helixtrans-59.9-32.1176.1170.80000111.7Y351 A352 K357 E358 F364 T367 L371Y351-V355 HydrophobicContact CD2-CG2 4.21Å; Y351-V355 HydrophobicContact CE1-CG2 4.15Å; Y351-V355 HydrophobicContact CE2-CG2 3.82Å; Y351-V355 VanDerWaalsContact O-CG2 3.32Å; Y351-V355 WeakPolarHBondContact O-CG2 3.4Å; Y351-V355 PolarHBondContact O-N 2.9Å; A352-V355 PolarHBondContact O-N 2.68Å; V355-K357 PolarHBondContact O-N 3.42Å; V355-E358 WeakPolarHBondContact O-CB 3.44Å; V355-E358 PolarHBondContact O-N 3.46Å; V355-F364 HydrophobicContact CG1-CD2 4.29Å; V355-F364 HydrophobicContact CG1-CE2 4.28Å; V355-F364 WeakPolarHBondContact O-CD2 3.39Å; V355-T367 HydrophobicContact CG1-CG2 4.04Å; V355-T367 HydrophobicContact CG2-CG2 3.69Å; V355-L371 HydrophobicContact CB-CD2 4.1Å; V355-L371 HydrophobicContact CG1-CD2 4.09Å; V355-L371 HydrophobicContact CG2-CD2 4.42Å
356L88.1Confident85.3Confident127 Ų12786.4 Ų86.467%0.66547%0.468SS*.THydrogen-bonded Turntrans-68.7-10174.3-74.4168.9000114.8A352 E354 F364A352-L356 VanDerWaalsContact O-CG 3.25Å; A352-L356 WeakPolarHBondContact O-CG 3.41Å; A352-L356 PolarHBondContact O-N 3.33Å; E354-L356 PolarHBondContact O-N 3.16Å; L356-F364 HydrophobicContact CD2-CE2 4.37Å; L356-F364 HydrophobicContact CD2-CZ 4.49Å
357K91.6Very high86.5Confident129 Ų12983.7 Ų83.756%0.56146%0.455SS*.THydrogen-bonded Turntrans-93.8-6174.2-56.9175.6-161.5165.80113.2E354 V355E354-K357 WeakPolarHBondContact O-CB 3.39Å; E354-K357 PolarHBondContact O-N 2.93Å; E354-K357 IonicContact OE1-NZ 3.18Å; E354-K357 PolarHBondContact OE1-NZ 3.32Å; E354-K357 WeakPolarHBondContact OE2-CD 3.38Å; E354-K357 WeakPolarHBondContact OE2-CE 3.49Å; E354-K357 IonicContact OE2-NZ 2.71Å; E354-K357 PolarHBondContact OE2-NZ 3Å; V355-K357 PolarHBondContact O-N 3.42Å
358E91.3Very high87.4Confident92 Ų9282.2 Ų82.243%0.4344%0.438SS..  trans-63.1137.3179.1-175.653-97.700110.7V355 D360 C363 F364V355-E358 WeakPolarHBondContact O-CB 3.44Å; V355-E358 PolarHBondContact O-N 3.46Å; E358-D360 PolarHBondContact OE1-N 3.28Å; E358-C363 HydrophobicContact CG-CB 4.23Å; E358-F364 HydrophobicContact CB-CB 4.3Å; E358-F364 HydrophobicContact CB-CD2 4.27Å; E358-F364 HydrophobicContact CG-CB 4.11Å
359T88.5Confident87.8Confident130 Ų13089.3 Ų89.380%0.79847%0.468SS*.  trans-105.9-24-174.657.70000112.9
360D93.1Very high88.1Confident71 Ų7192 Ų9238%0.3848%0.475SS..  trans-78.7123.9172-176.7-90000111.4E358 S362 C363 F364E358-D360 PolarHBondContact OE1-N 3.28Å; D360-S362 VanDerWaalsContact C-N 3.3Å; D360-S362 PolarHBondContact O-N 3.16Å; D360-S362 WeakPolarHBondContact OD1-CA 3.41Å; D360-S362 WeakPolarHBondContact OD1-CB 3.26Å; D360-S362 PolarHBondContact OD1-N 3.17Å; D360-S362 PolarHBondContact OD1-OG 3.03Å; D360-C363 HydrophobicContact CB-CB 4.12Å; D360-C363 PolarHBondContact OD1-N 3.49Å; D360-F364 VanDerWaalsContact O-CB 3.23Å; D360-F364 WeakPolarHBondContact O-CB 3.47Å; D360-F364 PolarHBondContact O-N 3.49Å
361Q88.9Confident88.3Confident164 Ų16491.3 Ų91.377%0.76646%0.464SS*.Hα-helixtrans-65.2-31.8-175.4-62.2-1805.200112.8V365Q361-V365 WeakPolarHBondContact O-CB 3.49Å; Q361-V365 VanDerWaalsContact O-CG2 3.24Å; Q361-V365 WeakPolarHBondContact O-CG2 3.4Å; Q361-V365 PolarHBondContact O-N 3.16Å; Q361-V365 VanDerWaalsContact O-N 3.16Å
362S89.4Confident88.4Confident80 Ų8092.2 Ų92.256%0.55947%0.472SS*.Hα-helixtrans-79.5-45.6-176.8730000111.8D360 F364 V365 Q366D360-S362 VanDerWaalsContact C-N 3.3Å; D360-S362 PolarHBondContact O-N 3.16Å; D360-S362 WeakPolarHBondContact OD1-CA 3.41Å; D360-S362 WeakPolarHBondContact OD1-CB 3.26Å; D360-S362 PolarHBondContact OD1-N 3.17Å; D360-S362 PolarHBondContact OD1-OG 3.03Å; S362-F364 VanDerWaalsContact C-N 3.34Å; S362-F364 PolarHBondContact O-N 2.96Å; S362-V365 PolarHBondContact O-N 3.47Å; S362-Q366 WeakPolarHBondContact O-CB 3.38Å; S362-Q366 PolarHBondContact O-N 2.89Å; S362-Q366 VanDerWaalsContact O-N 3.08Å
363C88.8Confident88.4Confident58 Ų5897.5 Ų97.539%0.39249%0.494SS..Hα-helixtrans-61.9-41.2173.5-67.20000111.8E358 D360 T367E358-C363 HydrophobicContact CG-CB 4.23Å; D360-C363 HydrophobicContact CB-CB 4.12Å; D360-C363 PolarHBondContact OD1-N 3.49Å; C363-T367 WeakPolarHBondContact O-CB 3.45Å; C363-T367 PolarHBondContact O-N 3.25Å; C363-T367 VanDerWaalsContact O-N 3.17Å; C363-T367 PolarHBondContact O-OG1 2.75Å
364F92.3Very high88.3Confident69 Ų6998 Ų9830%0.30349%0.49SS..Hα-helixtrans-60.1-54.6174.7177.6-101.7000111.4V355 L356 E358 D360 S362 Q366 T367 A368V355-F364 HydrophobicContact CG1-CD2 4.29Å; V355-F364 HydrophobicContact CG1-CE2 4.28Å; V355-F364 WeakPolarHBondContact O-CD2 3.39Å; L356-F364 HydrophobicContact CD2-CE2 4.37Å; L356-F364 HydrophobicContact CD2-CZ 4.49Å; E358-F364 HydrophobicContact CB-CB 4.3Å; E358-F364 HydrophobicContact CB-CD2 4.27Å; E358-F364 HydrophobicContact CG-CB 4.11Å; D360-F364 VanDerWaalsContact O-CB 3.23Å; D360-F364 WeakPolarHBondContact O-CB 3.47Å; D360-F364 PolarHBondContact O-N 3.49Å; S362-F364 VanDerWaalsContact C-N 3.34Å; S362-F364 PolarHBondContact O-N 2.96Å; F364-Q366 VanDerWaalsContact C-N 3.33Å; F364-Q366 PolarHBondContact O-N 2.75Å; F364-T367 PolarHBondContact O-N 2.89Å; F364-A368 HydrophobicContact CD1-CB 4.43Å; F364-A368 HydrophobicContact CE1-CB 4.12Å; F364-A368 HydrophobicContact CE2-CB 4.3Å; F364-A368 HydrophobicContact CZ-CB 4.05Å; F364-A368 WeakPolarHBondContact O-CB 3.47Å; F364-A368 PolarHBondContact O-N 2.92Å
365V89.3Confident88.1Confident96 Ų9696 Ų9658%0.58248%0.482SS*.Hα-helixtrans-62.5-38.8-176.3169.30000112.2Q361 S362 K369Q361-V365 WeakPolarHBondContact O-CB 3.49Å; Q361-V365 VanDerWaalsContact O-CG2 3.24Å; Q361-V365 WeakPolarHBondContact O-CG2 3.4Å; Q361-V365 PolarHBondContact O-N 3.16Å; Q361-V365 VanDerWaalsContact O-N 3.16Å; S362-V365 PolarHBondContact O-N 3.47Å; V365-K369 PolarHBondContact O-N 2.96Å
366Q85.4Confident87.8Confident152 Ų15299.3 Ų99.371%0.7150%0.497SS*.Hα-helixtrans-59.2-49.2175.2179.1175.2-15.500111.5S362 F364S362-Q366 WeakPolarHBondContact O-CB 3.38Å; S362-Q366 PolarHBondContact O-N 2.89Å; S362-Q366 VanDerWaalsContact O-N 3.08Å; F364-Q366 VanDerWaalsContact C-N 3.33Å; F364-Q366 PolarHBondContact O-N 2.75Å
367T88.6Confident87.4Confident40 Ų40100 Ų10025%0.24550%0.495CS..Hα-helixtrans-75.9-41.5-175.4-49.70000111.9Y351 V355 C363 F364 K369 Q370 L371Y351-T367 VanDerWaalsContact OH-CG2 3.25Å; Y351-T367 WeakPolarHBondContact OH-CG2 3.48Å; V355-T367 HydrophobicContact CG1-CG2 4.04Å; V355-T367 HydrophobicContact CG2-CG2 3.69Å; C363-T367 WeakPolarHBondContact O-CB 3.45Å; C363-T367 PolarHBondContact O-N 3.25Å; C363-T367 VanDerWaalsContact O-N 3.17Å; C363-T367 PolarHBondContact O-OG1 2.75Å; F364-T367 PolarHBondContact O-N 2.89Å; T367-K369 VanDerWaalsContact C-N 3.31Å; T367-K369 PolarHBondContact O-N 3.35Å; T367-Q370 PolarHBondContact O-N 3.5Å; T367-L371 WeakPolarHBondContact O-CB 3.48Å; T367-L371 PolarHBondContact O-N 2.84Å
368A88.7Confident86.7Confident25 Ų2595.5 Ų95.521%0.20748%0.481CS..Hα-helixtrans-60.4-37-179.700000112.4F364 L371 H372F364-A368 HydrophobicContact CD1-CB 4.43Å; F364-A368 HydrophobicContact CE1-CB 4.12Å; F364-A368 HydrophobicContact CE2-CB 4.3Å; F364-A368 HydrophobicContact CZ-CB 4.05Å; F364-A368 WeakPolarHBondContact O-CB 3.47Å; F364-A368 PolarHBondContact O-N 2.92Å; A368-L371 PolarHBondContact O-N 3.34Å; A368-H372 VanDerWaalsContact O-CB 3.23Å; A368-H372 WeakPolarHBondContact O-CB 3.17Å; A368-H372 PolarHBondContact O-N 3.01Å
369K86.4Confident86.1Confident171 Ų17193.9 Ų93.974%0.74348%0.478SS*.Hα-helixtrans-64.3-43176.1-173176.8-179.2179.60112.2V365 T367 H373V365-K369 PolarHBondContact O-N 2.96Å; T367-K369 VanDerWaalsContact C-N 3.31Å; T367-K369 PolarHBondContact O-N 3.35Å; K369-H373 PolarHBondContact O-N 2.58Å
370Q85.6Confident85.6Confident139 Ų13992.4 Ų92.465%0.6546%0.462SS*.Hα-helixtrans-70.3-39.7178.6-168.5172.417.300111.5T367 R374T367-Q370 PolarHBondContact O-N 3.5Å; Q370-R374 WeakPolarHBondContact O-CG 2.98Å; Q370-R374 PolarHBondContact O-N 3.49Å
371L87.2Confident84.6Confident15 Ų1591.5 Ų91.58%0.07946%0.461CS..Hα-helixtrans-62.8-47.6174.1176.362.6000112.1L348 Y351 A352 V355 T367 A368 H373 R374 I375L348-L371 HydrophobicContact CD1-CD1 4.08Å; L348-L371 HydrophobicContact CG-CD1 4.16Å; Y351-L371 HydrophobicContact CD1-CD1 3.92Å; Y351-L371 HydrophobicContact CE1-CD1 4.2Å; A352-L371 HydrophobicContact CB-CD1 4.16Å; A352-L371 HydrophobicContact CB-CD2 3.74Å; A352-L371 HydrophobicContact CB-CG 4.42Å; V355-L371 HydrophobicContact CB-CD2 4.1Å; V355-L371 HydrophobicContact CG1-CD2 4.09Å; V355-L371 HydrophobicContact CG2-CD2 4.42Å; T367-L371 WeakPolarHBondContact O-CB 3.48Å; T367-L371 PolarHBondContact O-N 2.84Å; A368-L371 PolarHBondContact O-N 3.34Å; L371-H373 VanDerWaalsContact C-N 3.29Å; L371-H373 PolarHBondContact O-N 3.25Å; L371-R374 PolarHBondContact O-N 2.9Å; L371-R374 VanDerWaalsContact O-N 3.07Å; L371-I375 HydrophobicContact CD1-CD1 3.9Å; L371-I375 HydrophobicContact CD1-CG1 4.15Å; L371-I375 HydrophobicContact CD2-CD1 4.45Å; L371-I375 HydrophobicContact CG-CD1 3.82Å; L371-I375 HydrophobicContact CG-CG1 4.43Å; L371-I375 WeakPolarHBondContact O-CG1 3.48Å; L371-I375 PolarHBondContact O-N 3.45Å
372H85.9Confident83.8Confident124 Ų12489.4 Ų89.457%0.57446%0.455SS*.Hα-helixtrans-57.7-42.6178.7-175.978.2000111.5A368 R374 I375 Q376A368-H372 VanDerWaalsContact O-CB 3.23Å; A368-H372 WeakPolarHBondContact O-CB 3.17Å; A368-H372 PolarHBondContact O-N 3.01Å; H372-R374 PolarHBondContact O-N 3.48Å; H372-I375 PolarHBondContact O-N 3.04Å; H372-Q376 VanDerWaalsContact O-CB 3.3Å; H372-Q376 WeakPolarHBondContact O-CB 3.26Å; H372-Q376 PolarHBondContact O-N 2.81Å
373H84.1Confident83Confident125 Ų12593.3 Ų93.358%0.57946%0.462SS*.Hα-helixtrans-63.3-38.9175.5-17462.6000112.9K369 L371 K377K369-H373 PolarHBondContact O-N 2.58Å; L371-H373 VanDerWaalsContact C-N 3.29Å; L371-H373 PolarHBondContact O-N 3.25Å; H373-K377 WeakPolarHBondContact O-CB 3.39Å; H373-K377 PolarHBondContact O-N 3.14Å
374R84.6Confident81.8Confident128 Ų12894.7 Ų94.748%0.48347%0.472SS..Hα-helixtrans-66-43.3174.6-69.4-179.273.2176.21.8112.1L348 Q370 L371 H372 K377 A378L348-R374 HydrophobicContact CD1-CB 4.12Å; L348-R374 HydrophobicContact CD2-CB 4.31Å; Q370-R374 WeakPolarHBondContact O-CG 2.98Å; Q370-R374 PolarHBondContact O-N 3.49Å; L371-R374 PolarHBondContact O-N 2.9Å; L371-R374 VanDerWaalsContact O-N 3.07Å; H372-R374 PolarHBondContact O-N 3.48Å; R374-K377 PolarHBondContact O-N 3.47Å; R374-A378 PolarHBondContact O-N 3.35Å; R374-A378 VanDerWaalsContact O-N 3.08Å
375I83.5Confident81.2Confident65 Ų6597.6 Ų97.633%0.33348%0.484SS..Hα-helixtrans-64.5-44.6176.5-67.2171.7000110.7L348 A352 L371 H372 A378 T379L348-I375 HydrophobicContact CD2-CG1 3.78Å; L348-I375 HydrophobicContact CG-CG1 4.48Å; A352-I375 HydrophobicContact CB-CD1 4.36Å; L371-I375 HydrophobicContact CD1-CD1 3.9Å; L371-I375 HydrophobicContact CD1-CG1 4.15Å; L371-I375 HydrophobicContact CD2-CD1 4.45Å; L371-I375 HydrophobicContact CG-CD1 3.82Å; L371-I375 HydrophobicContact CG-CG1 4.43Å; L371-I375 WeakPolarHBondContact O-CG1 3.48Å; L371-I375 PolarHBondContact O-N 3.45Å; H372-I375 PolarHBondContact O-N 3.04Å; I375-A378 PolarHBondContact O-N 2.93Å; I375-T379 WeakPolarHBondContact O-CB 3.47Å; I375-T379 PolarHBondContact O-N 2.97Å; I375-T379 PolarHBondContact O-OG1 2.92Å
376Q83.1Confident80.7Confident85 Ų85102.8 Ų102.840%0.39749%0.494SS..Hα-helixtrans-59.3-49.1177.4-177.9179.8-600110.9H372 A378 T379 E380H372-Q376 VanDerWaalsContact O-CB 3.3Å; H372-Q376 WeakPolarHBondContact O-CB 3.26Å; H372-Q376 PolarHBondContact O-N 2.81Å; Q376-A378 VanDerWaalsContact C-N 3.34Å; Q376-A378 PolarHBondContact O-N 3.45Å; Q376-T379 CarbonylContact O-C 3.58Å; Q376-T379 PolarHBondContact O-N 3.48Å; Q376-T379 VanDerWaalsContact O-N 3.1Å; Q376-E380 HydrophobicContact CG-CG 4.48Å; Q376-E380 VanDerWaalsContact CG-OE1 3.29Å; Q376-E380 WeakPolarHBondContact CG-OE1 3.4Å; Q376-E380 PolarHBondContact NE2-OE1 2.94Å; Q376-E380 WeakPolarHBondContact O-CG 3.29Å; Q376-E380 PolarHBondContact O-N 3.44Å
377K78.4Confident80.6Confident142 Ų14299.5 Ų99.562%0.61749%0.486SS*.Hα-helixtrans-59.6-41.7178.2-172.2176.7-179-179.80112.5H373 R374 E380 S381H373-K377 WeakPolarHBondContact O-CB 3.39Å; H373-K377 PolarHBondContact O-N 3.14Å; R374-K377 PolarHBondContact O-N 3.47Å; K377-E380 PolarHBondContact O-N 2.94Å; K377-S381 PolarHBondContact O-N 3.05Å; K377-S381 PolarHBondContact O-OG 2.94Å
378A78.1Confident80.4Confident34 Ų34100 Ų10028%0.28149%0.493SS..Hα-helixtrans-66.3-38.5174.800000112.3R374 I375 Q376 S381 L382R374-A378 PolarHBondContact O-N 3.35Å; R374-A378 VanDerWaalsContact O-N 3.08Å; I375-A378 PolarHBondContact O-N 2.93Å; Q376-A378 VanDerWaalsContact C-N 3.34Å; Q376-A378 PolarHBondContact O-N 3.45Å; A378-S381 PolarHBondContact O-N 3.36Å; A378-L382 WeakPolarHBondContact O-CG 3.44Å; A378-L382 PolarHBondContact O-N 3.37Å
379T78.3Confident80.3Confident58 Ų5899.7 Ų99.736%0.35649%0.491SS..Hα-helixtrans-69.9-32.4178.7-54.20000112.2I375 Q376 L382 K383I375-T379 WeakPolarHBondContact O-CB 3.47Å; I375-T379 PolarHBondContact O-N 2.97Å; I375-T379 PolarHBondContact O-OG1 2.92Å; Q376-T379 CarbonylContact O-C 3.58Å; Q376-T379 PolarHBondContact O-N 3.48Å; Q376-T379 VanDerWaalsContact O-N 3.1Å; T379-L382 PolarHBondContact O-N 2.98Å; T379-K383 WeakPolarHBondContact O-CG 3.28Å; T379-K383 PolarHBondContact O-N 3.06Å
380E78.2Confident80.2Confident99 Ų9998.2 Ų98.246%0.46349%0.487SS..Hα-helixtrans-67.6-43.4174.6-76.3168.1-174.700111.4Q376 K377 L382 K383Q376-E380 HydrophobicContact CG-CG 4.48Å; Q376-E380 VanDerWaalsContact CG-OE1 3.29Å; Q376-E380 WeakPolarHBondContact CG-OE1 3.4Å; Q376-E380 PolarHBondContact NE2-OE1 2.94Å; Q376-E380 WeakPolarHBondContact O-CG 3.29Å; Q376-E380 PolarHBondContact O-N 3.44Å; K377-E380 PolarHBondContact O-N 2.94Å; E380-L382 PolarHBondContact O-N 3.39Å; E380-K383 PolarHBondContact O-N 3.41Å; E380-K383 VanDerWaalsContact O-N 3.13Å
381S71Confident80.1Confident53 Ų5395.5 Ų95.537%0.37149%0.488SS..Hα-helixtrans-58.5-34.2173.7-59.80000113.5K377 A378K377-S381 PolarHBondContact O-N 3.05Å; K377-S381 PolarHBondContact O-OG 2.94Å; A378-S381 PolarHBondContact O-N 3.36Å
382L72.4Confident79.8Confident120 Ų12096.7 Ų96.763%0.62850%0.498SS*.Hα-helixtrans-74.9-19.8179.2-69.6168.7000113.9A378 T379 E380 S384A378-L382 WeakPolarHBondContact O-CG 3.44Å; A378-L382 PolarHBondContact O-N 3.37Å; T379-L382 PolarHBondContact O-N 2.98Å; E380-L382 PolarHBondContact O-N 3.39Å; L382-S384 VanDerWaalsContact C-N 3.34Å; L382-S384 PolarHBondContact O-N 3.41Å
383K73.6Confident79.7Confident162 Ų16294.2 Ų94.270%0.70449%0.485SS*.THydrogen-bonded Turntrans-78.3-12.5-174.6-80170.4178172.80114.6T379 E380T379-K383 WeakPolarHBondContact O-CG 3.28Å; T379-K383 PolarHBondContact O-N 3.06Å; E380-K383 PolarHBondContact O-N 3.41Å; E380-K383 VanDerWaalsContact O-N 3.13Å
384S63.6Low79.4Confident86 Ų8695.2 Ų95.260%0.60149%0.49SS*.  trans-139.563.1-177650000113.2L382 R386L382-S384 VanDerWaalsContact C-N 3.34Å; L382-S384 PolarHBondContact O-N 3.41Å; S384-R386 PolarHBondContact O-N 3.34Å
385F78.4Confident78.9Confident130 Ų13095 Ų9557%0.5750%0.499SS*.  trans-63.6126.1168.6-179.7-97.8000110.9Y339 P387Y339-F385 AromaticContact CE1-CD2 3.96Å; Y339-F385 HydrophobicContact CE1-CD2 3.96Å; Y339-F385 AromaticContact CZ-CD2 3.83Å; F385-P387 HydrophobicContact CE1-CG 4.09Å; F385-P387 HydrophobicContact CZ-CG 4.46Å
386R79.7Confident78.7Confident206 Ų20695.8 Ų95.878%0.77750%0.498SS*.  trans-140.7133.8167.3-69.3-173176.2-179.5-1108.7Q335 S384Q335-R386 PolarHBondContact NE2-O 2.76Å; S384-R386 PolarHBondContact O-N 3.34Å
387P84.1Confident78.4Confident83 Ų8397.2 Ų97.254%0.53951%0.513SS..  trans-58.5138.2175.5-24.934.6000112.4F332 F385 A389F332-P387 HydrophobicContact CE1-CB 4.11Å; F385-P387 HydrophobicContact CE1-CG 4.09Å; F385-P387 HydrophobicContact CZ-CG 4.46Å; P387-A389 PolarHBondContact O-N 2.99Å
388A84.5Confident78.3Confident49 Ų4994.9 Ų94.941%0.40551%0.51SS..SBendtrans-70.2-11.2-178.600000114.4K331 Q335K331-A388 HydrophobicContact CB-CB 4.37Å; Q335-A388 HydrophobicContact CB-CB 4.21Å
389A86.3Confident78.3Confident19 Ų1998.3 Ų98.316%0.15752%0.523CS..SBendtrans-151.7164.1174.600000110.8R328 K331 F332 P387R328-A389 HydrophobicContact CB-CB 4.24Å; R328-A389 HydrophobicContact CG-CB 4.14Å; K331-A389 HydrophobicContact CD-CB 4.41Å; F332-A389 HydrophobicContact CE1-CB 3.97Å; F332-A389 WeakPolarHBondContact CE1-O 3.31Å; F332-A389 HydrophobicContact CE2-CB 4.35Å; F332-A389 HydrophobicContact CZ-CB 3.8Å; F332-A389 VanDerWaalsContact CZ-O 3.28Å; F332-A389 WeakPolarHBondContact CZ-O 3.43Å; P387-A389 PolarHBondContact O-N 2.99Å
390Q83.3Confident78.4Confident140 Ų14099.1 Ų99.165%0.65453%0.529SS*.  trans-87.2149.3168.4-70.5174.6-27.700110.7
391A83Confident78.5Confident82 Ų8297.9 Ų97.968%0.67853%0.531SS*.  trans-86.6-19.6178.500000113.9
392S82.4Confident78.8Confident40 Ų40102.7 Ų102.728%0.2855%0.545SS..  trans-82.3142.7-174.856.20000113.2R328 E394R328-S392 PolarHBondContact NH1-O 3.18Å; R328-S392 PolarHBondContact NH2-O 3.47Å; S392-E394 WeakPolarHBondContact CB-OE1 3.25Å; S392-E394 PolarHBondContact OG-OE1 2.91Å
393F84.1Confident79.3Confident73 Ų73102.1 Ų102.132%0.3254%0.539SS..  trans-10435.9176.7-70.7-99.2000111.3I321 K325 D395 Y396I321-F393 HydrophobicContact CG2-CD1 4.27Å; I321-F393 HydrophobicContact CG2-CE1 4.26Å; K325-F393 HydrophobicContact CB-CE1 4.09Å; K325-F393 HydrophobicContact CB-CZ 3.73Å; K325-F393 HydrophobicContact CG-CZ 4.26Å; F393-D395 PolarHBondContact O-N 3.01Å; F393-Y396 HydrophobicContact CB-CD2 4.37Å; F393-Y396 AromaticContact CD1-CD2 3.94Å; F393-Y396 HydrophobicContact CD1-CD2 3.94Å; F393-Y396 HydrophobicContact CD1-CE2 4.34Å; F393-Y396 PolarHBondContact O-N 3.06Å
394E76.2Confident79.5Confident145 Ų14598.3 Ų98.368%0.67853%0.53SS*.G310 helixtrans-59.5-26.3-179.4-73.6159-130.200112.5S392 Y396 V397S392-E394 WeakPolarHBondContact CB-OE1 3.25Å; S392-E394 PolarHBondContact OG-OE1 2.91Å; E394-Y396 PolarHBondContact O-N 3.1Å; E394-V397 WeakPolarHBondContact O-CG2 3.45Å
395D74.2Confident80.2Confident125 Ų12599.9 Ų99.967%0.66853%0.527SS*.G310 helixtrans-69.4-12.7173.2-45.6-56.8000114.1R328 F393R328-D395 IonicContact NH2-OD2 2.7Å; F393-D395 PolarHBondContact O-N 3.01Å
396Y80.4Confident80.3Confident80 Ų8097.7 Ų97.731%0.31452%0.524SS..G310 helixtrans-113.629.3-173.6-66.7-93000113A320 I321 S324 F393 E394 V398A320-Y396 HydrophobicContact CB-CE1 4.24Å; I321-Y396 HydrophobicContact CG1-CD1 3.6Å; I321-Y396 HydrophobicContact CG1-CE1 4.29Å; I321-Y396 HydrophobicContact CG1-CG 3.97Å; S324-Y396 VanDerWaalsContact CB-OH 3.24Å; S324-Y396 WeakPolarHBondContact CB-OH 3.29Å; S324-Y396 PolarHBondContact OG-OH 3.12Å; F393-Y396 HydrophobicContact CB-CD2 4.37Å; F393-Y396 AromaticContact CD1-CD2 3.94Å; F393-Y396 HydrophobicContact CD1-CD2 3.94Å; F393-Y396 HydrophobicContact CD1-CE2 4.34Å; F393-Y396 PolarHBondContact O-N 3.06Å; E394-Y396 PolarHBondContact O-N 3.1Å; Y396-V398 PolarHBondContact O-N 3.42Å; Y396-V398 VanDerWaalsContact O-N 3.14Å
397V75.7Confident80.2Confident116 Ų11691.4 Ų91.470%0.70351%0.506SS*.  trans-69.4108.3175.5174.70000110.5E394 N399E394-V397 WeakPolarHBondContact O-CG2 3.45Å; V397-N399 PolarHBondContact O-N 2.67Å
398V76.5Confident79.5Confident92 Ų9290.6 Ų90.656%0.55851%0.513SS*.  trans-81.599.3174.7-172.20000109.4V317 Y396 T400V317-V398 HydrophobicContact CG1-CG2 3.78Å; Y396-V398 PolarHBondContact O-N 3.42Å; Y396-V398 VanDerWaalsContact O-N 3.14Å; V398-T400 HydrophobicContact CG1-CG2 3.95Å
399N77.7Confident78.9Confident106 Ų10694.7 Ų94.757%0.56752%0.523SS*.  trans-91.9114.7169.1-175.1-30.7000109.4V397 S401 Q403V397-N399 PolarHBondContact O-N 2.67Å; N399-S401 WeakPolarHBondContact OD1-CB 3.49Å; N399-S401 PolarHBondContact OD1-N 3.16Å; N399-S401 PolarHBondContact OD1-OG 3.44Å; N399-Q403 PolarHBondContact O-OE1 3.1Å
400T80.9Confident78Confident76 Ų7697.3 Ų97.347%0.46654%0.535SS..  trans-101.20178.357.20000113.8V398 K402 Q403 T404V398-T400 HydrophobicContact CG1-CG2 3.95Å; T400-K402 PolarHBondContact O-N 3.27Å; T400-Q403 VanDerWaalsContact CA-OE1 3.28Å; T400-Q403 CarbonylContact O-C 3.55Å; T400-Q403 PolarHBondContact O-N 3.34Å; T400-Q403 PolarHBondContact O-OE1 3.27Å; T400-T404 PolarHBondContact O-N 3.41Å; T400-T404 PolarHBondContact O-OG1 2.98Å; T400-T404 VanDerWaalsContact O-OG1 3.12Å
401S80Confident76.6Confident73 Ų7394 Ų9451%0.5153%0.526SS..Hα-helixtrans-58.6-43.7-167.6-590000112.9N399 Q403 T404 E405N399-S401 WeakPolarHBondContact OD1-CB 3.49Å; N399-S401 PolarHBondContact OD1-N 3.16Å; N399-S401 PolarHBondContact OD1-OG 3.44Å; S401-Q403 VanDerWaalsContact C-N 3.34Å; S401-T404 WeakPolarHBondContact CA-OG1 3.39Å; S401-T404 PolarHBondContact O-N 3.32Å; S401-T404 PolarHBondContact O-OG1 3.38Å; S401-E405 WeakPolarHBondContact O-CB 3.46Å; S401-E405 PolarHBondContact O-N 3.12Å
402K78.3Confident75.4Confident154 Ų15494.6 Ų94.667%0.6751%0.514SS*.Hα-helixtrans-67.3-34.9176.7-66.2-172174.8-169.80112.5T400 E405 V406T400-K402 PolarHBondContact O-N 3.27Å; K402-E405 PolarHBondContact O-N 3.13Å; K402-V406 WeakPolarHBondContact O-CB 3.27Å; K402-V406 VanDerWaalsContact O-CG2 3.28Å; K402-V406 WeakPolarHBondContact O-CG2 3.47Å; K402-V406 PolarHBondContact O-N 2.7Å
403Q81.6Confident74Confident107 Ų107102 Ų10250%0.554%0.542SS..Hα-helixtrans-72.9-36.1178.4-64.182.1-8.300110.9N399 T400 S401 L407N399-Q403 PolarHBondContact O-OE1 3.1Å; T400-Q403 VanDerWaalsContact CA-OE1 3.28Å; T400-Q403 CarbonylContact O-C 3.55Å; T400-Q403 PolarHBondContact O-N 3.34Å; T400-Q403 PolarHBondContact O-OE1 3.27Å; S401-Q403 VanDerWaalsContact C-N 3.34Å; Q403-L407 VanDerWaalsContact O-CB 3.22Å; Q403-L407 WeakPolarHBondContact O-CB 3.31Å; Q403-L407 WeakPolarHBondContact O-CD1 3.43Å; Q403-L407 WeakPolarHBondContact O-CG 3.41Å; Q403-L407 PolarHBondContact O-N 2.63Å
404T77.6Confident72.1Confident83 Ų8399.6 Ų99.651%0.50953%0.534SS..Hα-helixtrans-71.6-31.4172.946.60000113T400 S401 G408T400-T404 PolarHBondContact O-N 3.41Å; T400-T404 PolarHBondContact O-OG1 2.98Å; T400-T404 VanDerWaalsContact O-OG1 3.12Å; S401-T404 WeakPolarHBondContact CA-OG1 3.39Å; S401-T404 PolarHBondContact O-N 3.32Å; S401-T404 PolarHBondContact O-OG1 3.38Å; T404-G408 PolarHBondContact O-N 2.94Å
405E79.7Confident70.7Confident118 Ų118100.2 Ų100.255%0.55154%0.542SS*.Hα-helixtrans-64.6-57.4171.1-176.1171.9-144.900109.8S401 K402 L407 G408 E409S401-E405 WeakPolarHBondContact O-CB 3.46Å; S401-E405 PolarHBondContact O-N 3.12Å; K402-E405 PolarHBondContact O-N 3.13Å; E405-L407 VanDerWaalsContact C-N 3.32Å; E405-L407 PolarHBondContact O-N 3.43Å; E405-G408 CarbonylContact O-C 3.58Å; E405-G408 WeakPolarHBondContact O-CA 3.35Å; E405-G408 PolarHBondContact O-N 2.74Å; E405-E409 WeakPolarHBondContact O-CG 3.44Å; E405-E409 PolarHBondContact O-N 2.75Å
406V79.1Confident69.8Low84 Ų8496.1 Ų96.151%0.50953%0.53SS..Hα-helixtrans-58-39.21771710000112.8K402 G408 L410K402-V406 WeakPolarHBondContact O-CB 3.27Å; K402-V406 VanDerWaalsContact O-CG2 3.28Å; K402-V406 WeakPolarHBondContact O-CG2 3.47Å; K402-V406 PolarHBondContact O-N 2.7Å; V406-G408 VanDerWaalsContact C-N 3.35Å; V406-L410 WeakPolarHBondContact O-CG 3.35Å
407L77.9Confident69Low75 Ų7592.4 Ų92.439%0.39352%0.515SS..Hα-helixtrans-70.8-28.4174.9-74.4169.5000113L310 Q403 E405 L410L310-L407 HydrophobicContact CD1-CD1 4.45Å; Q403-L407 VanDerWaalsContact O-CB 3.22Å; Q403-L407 WeakPolarHBondContact O-CB 3.31Å; Q403-L407 WeakPolarHBondContact O-CD1 3.43Å; Q403-L407 WeakPolarHBondContact O-CG 3.41Å; Q403-L407 PolarHBondContact O-N 2.63Å; E405-L407 VanDerWaalsContact C-N 3.32Å; E405-L407 PolarHBondContact O-N 3.43Å; L407-L410 HydrophobicContact CD2-CD1 3.87Å
408G69.4Low68.8Low66 Ų6689.5 Ų89.568%0.6850%0.496SS*.Hα-helixtrans-79.7-26.1176.100000113.5T404 E405 V406 L410T404-G408 PolarHBondContact O-N 2.94Å; E405-G408 CarbonylContact O-C 3.58Å; E405-G408 WeakPolarHBondContact O-CA 3.35Å; E405-G408 PolarHBondContact O-N 2.74Å; V406-G408 VanDerWaalsContact C-N 3.35Å; G408-L410 VanDerWaalsContact C-N 3.25Å; G408-L410 PolarHBondContact O-N 2.96Å
409E72.5Confident69Low134 Ų13488.8 Ų88.863%0.62649%0.488SS*.SBendtrans-74.4-10172-71.7176.3164.400113.3E405 S411E405-E409 WeakPolarHBondContact O-CG 3.44Å; E405-E409 PolarHBondContact O-N 2.75Å; E409-S411 PolarHBondContact O-N 3.19Å
410L66.5Low69.3Low75 Ų7583.7 Ų83.739%0.39346%0.461SS..  trans-70.588.4178.9-64.3179.6000112.2V406 L407 G408 F412V406-L410 WeakPolarHBondContact O-CG 3.35Å; L407-L410 HydrophobicContact CD2-CD1 3.87Å; G408-L410 VanDerWaalsContact C-N 3.25Å; G408-L410 PolarHBondContact O-N 2.96Å; L410-F412 HydrophobicContact CB-CD2 4.06Å; L410-F412 HydrophobicContact CB-CE2 3.37Å; L410-F412 HydrophobicContact CB-CZ 3.73Å; L410-F412 HydrophobicContact CD1-CE2 4.04Å; L410-F412 HydrophobicContact CD1-CZ 3.71Å; L410-F412 HydrophobicContact CG-CE2 4.31Å; L410-F412 HydrophobicContact CG-CZ 4.26Å; L410-F412 WeakPolarHBondContact O-CD2 3.48Å; L410-F412 PolarHBondContact O-N 3.47Å; L410-F412 VanDerWaalsContact O-N 3.11Å
411S55.3Low69.6Low69 Ų6985.5 Ų85.548%0.48346%0.464SS..  trans-78.186.1171.365.20000111.5E409 F413E409-S411 PolarHBondContact O-N 3.19Å; S411-F413 VanDerWaalsContact C-N 3.29Å
412F58.4Low70Confident96 Ų9683.1 Ų83.142%0.42145%0.445SS..THydrogen-bonded Turntrans-72-25.8173-60.7-82000113.2F303 L410F303-F412 HydrophobicContact CD1-CZ 4.47Å; F303-F412 HydrophobicContact CE1-CD2 4.07Å; F303-F412 HydrophobicContact CE1-CE1 4.03Å; F303-F412 AromaticContact CE1-CE2 3.46Å; F303-F412 HydrophobicContact CE1-CE2 3.46Å; F303-F412 VanDerWaalsContact CE1-CE2 3.46Å; F303-F412 AromaticContact CE1-CZ 3.42Å; F303-F412 HydrophobicContact CE1-CZ 3.42Å; F303-F412 VanDerWaalsContact CE1-CZ 3.42Å; F303-F412 HydrophobicContact CE2-CD1 4.47Å; F303-F412 AromaticContact CZ-CD1 3.87Å; F303-F412 HydrophobicContact CZ-CD1 3.87Å; F303-F412 AromaticContact CZ-CD2 3.56Å; F303-F412 HydrophobicContact CZ-CD2 3.56Å; F303-F412 AromaticContact CZ-CE1 3.77Å; F303-F412 HydrophobicContact CZ-CE1 3.77Å; F303-F412 AromaticContact CZ-CE2 3.44Å; F303-F412 HydrophobicContact CZ-CE2 3.44Å; F303-F412 VanDerWaalsContact CZ-CE2 3.44Å; F303-F412 AromaticContact CZ-CG 3.74Å; F303-F412 HydrophobicContact CZ-CG 3.74Å; F303-F412 AromaticContact CZ-CZ 3.53Å; F303-F412 HydrophobicContact CZ-CZ 3.53Å; L410-F412 HydrophobicContact CB-CD2 4.06Å; L410-F412 HydrophobicContact CB-CE2 3.37Å; L410-F412 HydrophobicContact CB-CZ 3.73Å; L410-F412 HydrophobicContact CD1-CE2 4.04Å; L410-F412 HydrophobicContact CD1-CZ 3.71Å; L410-F412 HydrophobicContact CG-CE2 4.31Å; L410-F412 HydrophobicContact CG-CZ 4.26Å; L410-F412 WeakPolarHBondContact O-CD2 3.48Å; L410-F412 PolarHBondContact O-N 3.47Å; L410-F412 VanDerWaalsContact O-N 3.11Å
413F51.2Low70.3Confident195 Ų19577.6 Ų77.686%0.85542%0.423SS*.THydrogen-bonded Turntrans-120.183.1166.2-50.8-74.7000106.5S411 N415S411-F413 VanDerWaalsContact C-N 3.29Å; F413-N415 PolarHBondContact O-N 3.06Å
414S45Very low70.4Confident23 Ų2377 Ų7716%0.16142%0.42CS..PPolyproline II helixtrans-58.1132.216250.70000107.6G416 I496S414-G416 PolarHBondContact O-N 2.95Å; S414-I496 WeakPolarHBondContact OG-CD1 3.19Å
415N46.6Very low70.4Confident157 Ų15781.5 Ų81.584%0.8444%0.435SS*.SBendtrans-46.6117146.6-64.9-30.9000104.7F413F413-N415 PolarHBondContact O-N 3.06Å
416G55.1Low70.4Confident40 Ų4081.4 Ų81.441%0.41244%0.435SS..PPolyproline II helixtrans-50.6146.7-154.800000113.3S414 D418S414-G416 PolarHBondContact O-N 2.95Å; G416-D418 PolarHBondContact O-N 3.37Å
417V64.8Low70.6Confident1 Ų177.6 Ų77.61%0.00641%0.412CS..  trans-33.7125.3-176.6-178.40000110.5I419 A445 A491 R493 I496 S498V417-I419 PolarHBondContact O-N 3.29Å; V417-A445 HydrophobicContact CG1-CB 4.24Å; V417-A491 HydrophobicContact CG1-CB 3.63Å; V417-R493 HydrophobicContact CG2-CB 3.8Å; V417-I496 HydrophobicContact CG2-CG2 4.17Å; V417-S498 WeakPolarHBondContact O-CB 3.33Å
418D71.1Confident70.8Confident56 Ų5677.3 Ų77.330%0.29941%0.408SS..PPolyproline II helixtrans-46.8134.3-177.2-90.8-26.9000110.2G416 P420 Q439 P440G416-D418 PolarHBondContact O-N 3.37Å; D418-P420 WeakPolarHBondContact O-CD 3.36Å; D418-Q439 PolarHBondContact O-NE2 3.05Å; D418-Q439 PolarHBondContact O-OE1 3.22Å; D418-P440 HydrophobicContact CB-CB 4.23Å; D418-P440 HydrophobicContact CB-CG 4.01Å
419I79.8Confident71.3Confident76 Ų7675 Ų7539%0.3938%0.38SS..PPolyproline II helixtrans-64.6124-174.3-60.2171.7000108.3V417 E421 P499V417-I419 PolarHBondContact O-N 3.29Å; I419-E421 PolarHBondContact O-N 3.19Å; I419-P499 HydrophobicContact CD1-CB 3.86Å; I419-P499 HydrophobicContact CD1-CG 4.02Å; I419-P499 HydrophobicContact CG1-CB 4.01Å; I419-P499 HydrophobicContact CG1-CG 4.05Å
420P84.8Confident71.6Confident0 Ų069.5 Ų69.50%035%0.354CS..PPolyproline II helixtrans-66.2134.5177.325.8-32.6000109.9D418 Y448 V489 A491 S498 S501D418-P420 WeakPolarHBondContact O-CD 3.36Å; P420-Y448 HydrophobicContact CB-CD1 4.36Å; P420-Y448 HydrophobicContact CB-CE1 4.3Å; P420-V489 HydrophobicContact CB-CB 4.5Å; P420-V489 HydrophobicContact CB-CG1 4.15Å; P420-V489 HydrophobicContact CG-CB 4.02Å; P420-V489 HydrophobicContact CG-CG1 3.75Å; P420-A491 HydrophobicContact CG-CB 4.05Å; P420-S498 WeakPolarHBondContact CD-OG 3.32Å; P420-S501 WeakPolarHBondContact O-CB 3.09Å
421E86.4Confident72.1Confident114 Ų11468.8 Ų68.853%0.53335%0.351SS..EExtended strand (participates in β ladder)trans-101.1119.7-179.8-68-172.9166.200109.8I419 N423 W437 H438I419-E421 PolarHBondContact O-N 3.19Å; E421-N423 PolarHBondContact O-N 2.97Å; E421-W437 CarbonylContact O-C 3.52Å; E421-W437 WeakPolarHBondContact O-CA 3.28Å; E421-W437 VanDerWaalsContact O-CB 3.3Å; E421-W437 WeakPolarHBondContact O-CB 3.42Å; E421-H438 PolarHBondContact N-O 2.97Å; E421-H438 PolarHBondContact O-N 2.9Å; E421-H438 IonicContact OE2-CE1 3.14Å; E421-H438 PolarHBondContact OE2-CE1 3.46Å; E421-H438 VanDerWaalsContact OE2-CE1 3.3Å
422I88.1Confident73.4Confident23 Ų2366.8 Ų66.812%0.11833%0.334CS..EExtended strand (participates in β ladder)trans-73.5125.8177.4-58.9178.2000108.9E424 I435 N436 W437 V489 S501 L504I422-E424 PolarHBondContact O-N 3.43Å; I422-I435 HydrophobicContact CD1-CG2 4.31Å; I422-I435 HydrophobicContact CG2-CG2 3.84Å; I422-N436 WeakPolarHBondContact CG2-O 3.35Å; I422-W437 HydrophobicContact CG1-CB 4.37Å; I422-V489 HydrophobicContact CD1-CG2 3.99Å; I422-V489 HydrophobicContact CG1-CG2 4.03Å; I422-S501 VanDerWaalsContact CD1-OG 3.32Å; I422-S501 WeakPolarHBondContact CD1-OG 3.4Å; I422-L504 HydrophobicContact CD1-CB 4.25Å; I422-L504 HydrophobicContact CG2-CB 4.27Å; I422-L504 HydrophobicContact CG2-CD2 3.51Å
423N85.1Confident74.6Confident37 Ų3762.2 Ų62.220%0.19831%0.314CS..  trans-81.4108176.2-174.6-21.2000109.6E421 E425 Q426 S427 N436E421-N423 PolarHBondContact O-N 2.97Å; N423-E425 VanDerWaalsContact C-N 3.34Å; N423-E425 PolarHBondContact O-N 2.9Å; N423-E425 PolarHBondContact OD1-N 2.78Å; N423-Q426 HydrophobicContact CB-CB 4.21Å; N423-Q426 WeakPolarHBondContact ND2-CG 3.4Å; N423-Q426 PolarHBondContact ND2-OE1 3.5Å; N423-Q426 PolarHBondContact O-N 2.81Å; N423-Q426 PolarHBondContact OD1-N 2.78Å; N423-S427 VanDerWaalsContact O-CB 3.23Å; N423-S427 WeakPolarHBondContact O-CB 3.49Å; N423-S427 PolarHBondContact O-N 3.05Å; N423-S427 PolarHBondContact O-OG 3.23Å; N423-N436 PolarHBondContact N-O 2.6Å
424E83.3Confident76.3Confident95 Ų9554.4 Ų54.444%0.44428%0.281SS..THydrogen-bonded Turntrans-70.1-27.4-177.4-53.4-168144.500112.9I422 R502 L504I422-E424 PolarHBondContact O-N 3.43Å; E424-R502 IonicContact OE1-CZ 2.95Å; E424-R502 IonicContact OE1-NE 2.7Å; E424-R502 IonicContact OE1-NH2 3.12Å; E424-R502 PolarHBondContact OE1-NH2 3.47Å; E424-R502 IonicContact OE2-NH2 2.75Å; E424-R502 PolarHBondContact OE2-NH2 3.42Å; E424-L504 HydrophobicContact CB-CD1 4.5Å; E424-L504 HydrophobicContact CG-CD1 3.98Å; E424-L504 HydrophobicContact CG-CD2 4.49Å
425E77.6Confident78.4Confident177 Ų17753.3 Ų53.383%0.82727%0.273SS*.THydrogen-bonded Turntrans-76.1-30.4178.6-59.5-172.716900112.4N423N423-E425 VanDerWaalsContact C-N 3.34Å; N423-E425 PolarHBondContact O-N 2.9Å; N423-E425 PolarHBondContact OD1-N 2.78Å
426Q80.1Confident80.4Confident116 Ų11647.2 Ų47.254%0.54224%0.241SC..THydrogen-bonded Turntrans-94.7-14.3179.2-68.1179.7-18.900113.2N423 N436N423-Q426 HydrophobicContact CB-CB 4.21Å; N423-Q426 WeakPolarHBondContact ND2-CG 3.4Å; N423-Q426 PolarHBondContact ND2-OE1 3.5Å; N423-Q426 PolarHBondContact O-N 2.81Å; N423-Q426 PolarHBondContact OD1-N 2.78Å; Q426-N436 HydrophobicContact CB-CB 3.84Å; Q426-N436 PolarHBondContact O-ND2 3.17Å
427S83.8Confident82.1Confident5 Ų545.7 Ų45.74%0.03522%0.223CC..  trans-90.3125.6177.9-61.70000110.7N423 L434 N436N423-S427 VanDerWaalsContact O-CB 3.23Å; N423-S427 WeakPolarHBondContact O-CB 3.49Å; N423-S427 PolarHBondContact O-N 3.05Å; N423-S427 PolarHBondContact O-OG 3.23Å; S427-L434 CarbonylContact C-O 3.59Å; S427-L434 VanDerWaalsContact CA-O 3.23Å; S427-L434 WeakPolarHBondContact CA-O 3.44Å; S427-N436 PolarHBondContact OG-N 3.49Å; S427-N436 PolarHBondContact OG-O 2.93Å
428K80.9Confident83.1Confident68 Ų6849.9 Ų49.930%0.29624%0.242SC..EExtended strand (participates in β ladder)trans-141.5150-173.1-74.7-167168.5-156.60112.3Y430 A433 L434 E715 I718K428-Y430 HydrophobicContact CB-CE2 4.19Å; K428-Y430 HydrophobicContact CD-CE2 4Å; K428-Y430 PolarHBondContact NZ-OH 2.29Å; K428-A433 CarbonylContact O-C 3.55Å; K428-A433 WeakPolarHBondContact O-CA 3.39Å; K428-L434 PolarHBondContact N-O 3.29Å; K428-L434 PolarHBondContact O-N 3.38Å; K428-E715 IonicContact NZ-OE1 2.76Å; K428-E715 PolarHBondContact NZ-OE1 3.31Å; K428-E715 IonicContact NZ-OE2 3Å; K428-I718 HydrophobicContact CB-CD1 3.84Å; K428-I718 VanDerWaalsContact O-CD1 3.24Å; K428-I718 WeakPolarHBondContact O-CD1 3.45Å
429V80.8Confident83.6Confident17 Ų1748.8 Ų48.810%0.10324%0.235CC..EExtended strand (participates in β ladder)trans-127.6121.5178-171.70000111.3A433 L479 F487 L506 T508V429-A433 HydrophobicContact CB-CB 4.37Å; V429-A433 HydrophobicContact CG1-CB 4.18Å; V429-A433 HydrophobicContact CG2-CB 3.61Å; V429-L479 HydrophobicContact CG1-CD1 4.09Å; V429-F487 HydrophobicContact CG2-CE2 4.49Å; V429-L506 HydrophobicContact CB-CB 4.34Å; V429-L506 HydrophobicContact CG2-CB 3.41Å; V429-L506 VanDerWaalsContact CG2-CB 3.41Å; V429-L506 HydrophobicContact CG2-CD1 3.4Å; V429-L506 VanDerWaalsContact CG2-CD1 3.4Å; V429-L506 HydrophobicContact CG2-CG 3.95Å; V429-T508 HydrophobicContact CG1-CG2 3.64Å
430Y78.9Confident83.2Confident20 Ų2047.1 Ų47.18%0.07823%0.23CC..SBendtrans-126-116.1170.6-64.6-70.6000108.3K428 N432 P509 V513 A578 E715 I718K428-Y430 HydrophobicContact CB-CE2 4.19Å; K428-Y430 HydrophobicContact CD-CE2 4Å; K428-Y430 PolarHBondContact NZ-OH 2.29Å; Y430-N432 VanDerWaalsContact C-N 3.27Å; Y430-N432 PolarHBondContact N-O 3.21Å; Y430-P509 WeakPolarHBondContact O-CD 2.93Å; Y430-V513 HydrophobicContact CD1-CG2 4.24Å; Y430-V513 HydrophobicContact CG-CG2 4.44Å; Y430-A578 HydrophobicContact CE1-CB 4.02Å; Y430-E715 PolarHBondContact OH-OE2 3.47Å; Y430-I718 HydrophobicContact CD2-CD1 3.6Å; Y430-I718 HydrophobicContact CD2-CG1 3.86Å; Y430-I718 HydrophobicContact CE2-CD1 4.19Å; Y430-I718 HydrophobicContact CE2-CG1 4.45Å
431N77.1Confident82.1Confident60 Ų6056.6 Ų56.632%0.32127%0.274SS..SBendtrans-66.7-32.3168.7-71.6-27.8000112.3P512 V513N431-P512 WeakPolarHBondContact OD1-CA 3.38Å; N431-V513 PolarHBondContact ND2-O 3.06Å; N431-V513 PolarHBondContact OD1-N 3.03Å
432N81.7Confident80.7Confident27 Ų2759.9 Ų59.914%0.14429%0.286CS..SBendtrans-126.8157175.7-54.8-53.6000108.3Y430 V475 V476 S477 I718Y430-N432 VanDerWaalsContact C-N 3.27Å; Y430-N432 PolarHBondContact N-O 3.21Å; N432-V475 HydrophobicContact CB-CG1 3.6Å; N432-V476 CarbonylContact C-O 3.58Å; N432-V476 WeakPolarHBondContact CA-O 3.33Å; N432-V476 WeakPolarHBondContact CB-O 3.29Å; N432-S477 WeakPolarHBondContact OD1-CA 3.44Å; N432-S477 WeakPolarHBondContact OD1-CB 3.38Å; N432-S477 PolarHBondContact OD1-OG 3.45Å; N432-I718 HydrophobicContact CB-CG2 4.22Å; N432-I718 PolarHBondContact ND2-O 3.3Å
433A84.1Confident79.5Confident0 Ų060.7 Ų60.70%029%0.291CS..EExtended strand (participates in β ladder)trans-96.1120170.900000109.9K428 V429 I435 V475 V476 L479 F487K428-A433 CarbonylContact O-C 3.55Å; K428-A433 WeakPolarHBondContact O-CA 3.39Å; V429-A433 HydrophobicContact CB-CB 4.37Å; V429-A433 HydrophobicContact CG1-CB 4.18Å; V429-A433 HydrophobicContact CG2-CB 3.61Å; A433-I435 HydrophobicContact CB-CD1 4.24Å; A433-V475 CarbonylContact O-C 3.51Å; A433-V475 VanDerWaalsContact O-CA 3.31Å; A433-V475 WeakPolarHBondContact O-CA 3.41Å; A433-V476 HydrophobicContact CB-CB 4.35Å; A433-V476 PolarHBondContact N-O 2.77Å; A433-V476 PolarHBondContact O-N 3Å; A433-L479 HydrophobicContact CB-CD1 3.56Å; A433-F487 HydrophobicContact CB-CE1 3.9Å; A433-F487 HydrophobicContact CB-CE2 4.34Å; A433-F487 HydrophobicContact CB-CZ 3.55Å
434L87.3Confident78.7Confident30 Ų3067.2 Ų67.216%0.15732%0.317CS..EExtended strand (participates in β ladder)trans-92.1117.1163.4173.255.6000107.6S427 K428 N436 V475 I718 L723S427-L434 CarbonylContact C-O 3.59Å; S427-L434 VanDerWaalsContact CA-O 3.23Å; S427-L434 WeakPolarHBondContact CA-O 3.44Å; K428-L434 PolarHBondContact N-O 3.29Å; K428-L434 PolarHBondContact O-N 3.38Å; L434-N436 WeakPolarHBondContact CG-ND2 3.46Å; L434-V475 HydrophobicContact CD1-CG2 4.1Å; L434-I718 HydrophobicContact CB-CD1 3.78Å; L434-I718 HydrophobicContact CB-CG1 4.31Å; L434-I718 HydrophobicContact CB-CG2 3.93Å; L434-L723 HydrophobicContact CD1-CD1 3.51Å; L434-L723 HydrophobicContact CD2-CD1 4.25Å; L434-L723 HydrophobicContact CG-CD1 4.49Å
435I89.4Confident78.2Confident0 Ų063.5 Ų63.50%030%0.303CS..EExtended strand (participates in β ladder)trans-108.1128174-50.5-59.1000107.7I422 A433 W437 L450 S473 K474 F487 L506I422-I435 HydrophobicContact CD1-CG2 4.31Å; I422-I435 HydrophobicContact CG2-CG2 3.84Å; A433-I435 HydrophobicContact CB-CD1 4.24Å; I435-W437 HydrophobicContact CB-CZ3 4.37Å; I435-W437 HydrophobicContact CG2-CE3 4.1Å; I435-W437 HydrophobicContact CG2-CZ3 4.28Å; I435-W437 WeakPolarHBondContact O-CZ3 3.3Å; I435-L450 HydrophobicContact CB-CD1 4.33Å; I435-L450 HydrophobicContact CB-CD2 4.19Å; I435-L450 HydrophobicContact CG1-CD1 4.37Å; I435-L450 HydrophobicContact CG1-CD2 4.17Å; I435-L450 HydrophobicContact CG2-CD1 4.1Å; I435-S473 CarbonylContact O-C 3.58Å; I435-S473 VanDerWaalsContact O-CA 3.31Å; I435-S473 WeakPolarHBondContact O-CA 3.46Å; I435-K474 PolarHBondContact N-O 3.11Å; I435-K474 PolarHBondContact O-N 2.73Å; I435-F487 HydrophobicContact CD1-CB 4.13Å; I435-F487 HydrophobicContact CD1-CD1 3.79Å; I435-F487 HydrophobicContact CD1-CD2 3.87Å; I435-F487 HydrophobicContact CD1-CE1 4.14Å; I435-F487 HydrophobicContact CD1-CE2 4.21Å; I435-F487 HydrophobicContact CD1-CG 3.65Å; I435-F487 HydrophobicContact CD1-CZ 4.35Å; I435-F487 HydrophobicContact CG1-CB 4.32Å; I435-F487 HydrophobicContact CG1-CD1 3.67Å; I435-F487 HydrophobicContact CG1-CE1 4.13Å; I435-F487 HydrophobicContact CG1-CG 3.97Å; I435-L506 HydrophobicContact CD1-CD1 3.73Å
436N88.6Confident78.2Confident29 Ų2959.9 Ų59.916%0.15529%0.289CS..EExtended strand (participates in β ladder)trans-119.5137.1177.5-76.1-64.6000109I422 N423 Q426 S427 L434 S473I422-N436 WeakPolarHBondContact CG2-O 3.35Å; N423-N436 PolarHBondContact N-O 2.6Å; Q426-N436 HydrophobicContact CB-CB 3.84Å; Q426-N436 PolarHBondContact O-ND2 3.17Å; S427-N436 PolarHBondContact OG-N 3.49Å; S427-N436 PolarHBondContact OG-O 2.93Å; L434-N436 WeakPolarHBondContact CG-ND2 3.46Å; N436-S473 WeakPolarHBondContact OD1-CB 3.33Å
437W90.6Very high78.3Confident9 Ų955.1 Ų55.13%0.03427%0.268CS..EExtended strand (participates in β ladder)trans-134.3166.4175.45697.2000111E421 I422 I435 Y448 L450 V469 G471 T472 K474 V489E421-W437 CarbonylContact O-C 3.52Å; E421-W437 WeakPolarHBondContact O-CA 3.28Å; E421-W437 VanDerWaalsContact O-CB 3.3Å; E421-W437 WeakPolarHBondContact O-CB 3.42Å; I422-W437 HydrophobicContact CG1-CB 4.37Å; I435-W437 HydrophobicContact CB-CZ3 4.37Å; I435-W437 HydrophobicContact CG2-CE3 4.1Å; I435-W437 HydrophobicContact CG2-CZ3 4.28Å; I435-W437 WeakPolarHBondContact O-CZ3 3.3Å; W437-Y448 AromaticContact CD1-CD1 3.95Å; W437-Y448 AromaticContact CD1-CE1 3.96Å; W437-Y448 AromaticContact CE2-CG 3.95Å; W437-Y448 HydrophobicContact CZ2-CD2 4.24Å; W437-Y448 HydrophobicContact CZ2-CG 4.03Å; W437-Y448 AromaticContact NE1-CD1 3.27Å; W437-Y448 VanDerWaalsContact NE1-CD1 3.27Å; W437-Y448 AromaticContact NE1-CD2 3.63Å; W437-Y448 AromaticContact NE1-CE1 3.57Å; W437-Y448 AromaticContact NE1-CE2 3.91Å; W437-Y448 AromaticContact NE1-CG 3.32Å; W437-Y448 VanDerWaalsContact NE1-CG 3.32Å; W437-Y448 AromaticContact NE1-CZ 3.89Å; W437-L450 HydrophobicContact CH2-CB 4.45Å; W437-V469 HydrophobicContact CH2-CB 4.16Å; W437-V469 HydrophobicContact CH2-CG1 3.88Å; W437-V469 HydrophobicContact CH2-CG2 4.13Å; W437-V469 HydrophobicContact CZ2-CB 4.13Å; W437-V469 HydrophobicContact CZ2-CG1 3.91Å; W437-G471 WeakPolarHBondContact CZ2-O 3.49Å; W437-T472 VanDerWaalsContact CD2-O 3.31Å; W437-T472 PolarHBondContact N-O 2.85Å; W437-T472 WeakPolarHBondContact O-CB 3.33Å; W437-K474 HydrophobicContact CH2-CB 4.02Å; W437-K474 HydrophobicContact CZ3-CB 4.26Å; W437-V489 HydrophobicContact CD2-CB 4.46Å; W437-V489 HydrophobicContact CD2-CG1 4.02Å; W437-V489 HydrophobicContact CD2-CG2 3.85Å; W437-V489 HydrophobicContact CE3-CG2 3.69Å; W437-V489 HydrophobicContact CG-CG1 4.22Å; W437-V489 HydrophobicContact CG-CG2 4.3Å; W437-V489 HydrophobicContact CZ2-CG1 4.25Å; W437-V489 HydrophobicContact CZ3-CG2 4.07Å
438H86.6Confident78.5Confident88 Ų8855.5 Ų55.541%0.40727%0.269SS..EExtended strand (participates in β ladder)trans-128.4147169.260.669000111.3E421E421-H438 PolarHBondContact N-O 2.97Å; E421-H438 PolarHBondContact O-N 2.9Å; E421-H438 IonicContact OE2-CE1 3.14Å; E421-H438 PolarHBondContact OE2-CE1 3.46Å; E421-H438 VanDerWaalsContact OE2-CE1 3.3Å
439Q80.4Confident78.9Confident33 Ų3352.9 Ų52.915%0.15426%0.259CS..  trans-100.8129.6176.5-171.463.716.500109.2D418 D443 Y448D418-Q439 PolarHBondContact O-NE2 3.05Å; D418-Q439 PolarHBondContact O-OE1 3.22Å; Q439-D443 WeakPolarHBondContact CG-O 3.37Å; Q439-D443 PolarHBondContact NE2-O 2.95Å; Q439-Y448 WeakPolarHBondContact CB-OH 3.49Å
440P71.3Confident79.4Confident42 Ų4252.1 Ų52.127%0.27325%0.254SS..  trans-57.4139.6173.9-26.136.4000112.2D418 K442 D443D418-P440 HydrophobicContact CB-CB 4.23Å; D418-P440 HydrophobicContact CB-CG 4.01Å; P440-K442 PolarHBondContact O-N 2.97Å; P440-D443 PolarHBondContact O-N 2.91Å
441E62.1Low79.9Confident198 Ų19851.2 Ų51.293%0.92525%0.251SS*.THydrogen-bonded Turntrans-58.7-18.5-168.7-71.3-170.7134.600115.7
442K58Low80.6Confident184 Ų18450.4 Ų50.480%0.824%0.243SC*.THydrogen-bonded Turntrans-70.5-32.6-175.9-71.8-177178.5176.60113.1P440P440-K442 PolarHBondContact O-N 2.97Å
443D62.7Low81Confident39 Ų3952.6 Ų52.621%0.20925%0.25CC..  trans-139.295.6-174.7-86.6-49.6000112.8Q439 P440 A445 R493Q439-D443 WeakPolarHBondContact CG-O 3.37Å; Q439-D443 PolarHBondContact NE2-O 2.95Å; P440-D443 PolarHBondContact O-N 2.91Å; D443-A445 PolarHBondContact O-N 3.39Å; D443-R493 VanDerWaalsContact CA-NH2 3.28Å; D443-R493 IonicContact OD1-CZ 3.82Å; D443-R493 IonicContact OD1-NH1 2.63Å; D443-R493 PolarHBondContact OD1-NH1 3.16Å; D443-R493 IonicContact OD1-NH2 3.94Å; D443-R493 PolarHBondContact OD1-NH2 3.27Å
444K67.1Low81.1Confident175 Ų17555.4 Ų55.476%0.76126%0.262SS*.  trans-65127.8167.8-67.7-171.5175.9-171.70110.8R493K444-R493 VanDerWaalsContact O-CZ 3.32Å; K444-R493 PolarHBondContact O-NE 3.49Å; K444-R493 PolarHBondContact O-NH2 3.42Å
445A72.6Confident80.9Confident17 Ų1757.4 Ų57.414%0.1427%0.272CS..  trans-85.4154.7171.400000111.1V417 D443 Y448 A491 Y492V417-A445 HydrophobicContact CG1-CB 4.24Å; D443-A445 PolarHBondContact O-N 3.39Å; A445-Y448 HydrophobicContact CB-CE1 3.83Å; A445-Y448 HydrophobicContact CB-CE2 4.39Å; A445-A491 HydrophobicContact CB-CB 3.86Å; A445-Y492 CarbonylContact C-O 3.58Å; A445-Y492 WeakPolarHBondContact CB-O 3.48Å
446D78.3Confident80.4Confident101 Ų10160.6 Ų60.654%0.5429%0.289SS..SBendtrans-85.5-33.3176.5-56.3-35.9000111.4Y492 R493 G494D446-Y492 PolarHBondContact N-O 3.1Å; D446-R493 VanDerWaalsContact OD2-CA 3.25Å; D446-R493 WeakPolarHBondContact OD2-CA 3.5Å; D446-R493 WeakPolarHBondContact OD2-CG 3.26Å; D446-G494 PolarHBondContact OD2-N 3.14Å
447S82.8Confident79.1Confident15 Ų1570.4 Ų70.411%0.10532%0.324CS..EExtended strand (participates in β ladder)trans-152.8170.917367.30000111.2Y492S447-Y492 PolarHBondContact N-O 3Å; S447-Y492 PolarHBondContact O-N 3Å
448Y87.9Confident77.5Confident14 Ų1477.6 Ų77.66%0.05536%0.363CS..EExtended strand (participates in β ladder)trans-130.6151.7175.4-55-91.3000109.1P420 W437 Q439 A445 V469 G471 T472 V489 R490 A491P420-Y448 HydrophobicContact CB-CD1 4.36Å; P420-Y448 HydrophobicContact CB-CE1 4.3Å; W437-Y448 AromaticContact CD1-CD1 3.95Å; W437-Y448 AromaticContact CD1-CE1 3.96Å; W437-Y448 AromaticContact CE2-CG 3.95Å; W437-Y448 HydrophobicContact CZ2-CD2 4.24Å; W437-Y448 HydrophobicContact CZ2-CG 4.03Å; W437-Y448 AromaticContact NE1-CD1 3.27Å; W437-Y448 VanDerWaalsContact NE1-CD1 3.27Å; W437-Y448 AromaticContact NE1-CD2 3.63Å; W437-Y448 AromaticContact NE1-CE1 3.57Å; W437-Y448 AromaticContact NE1-CE2 3.91Å; W437-Y448 AromaticContact NE1-CG 3.32Å; W437-Y448 VanDerWaalsContact NE1-CG 3.32Å; W437-Y448 AromaticContact NE1-CZ 3.89Å; Q439-Y448 WeakPolarHBondContact CB-OH 3.49Å; A445-Y448 HydrophobicContact CB-CE1 3.83Å; A445-Y448 HydrophobicContact CB-CE2 4.39Å; Y448-V469 PolarHBondContact N-O 3.4Å; Y448-V469 PolarHBondContact O-N 3.16Å; Y448-G471 WeakPolarHBondContact CD2-O 3.5Å; Y448-T472 HydrophobicContact CE2-CG2 4.43Å; Y448-V489 HydrophobicContact CD1-CG1 4.1Å; Y448-V489 HydrophobicContact CG-CG1 4.42Å; Y448-R490 CarbonylContact C-O 3.47Å; Y448-R490 WeakPolarHBondContact CA-O 3.37Å; Y448-A491 HydrophobicContact CD1-CB 3.71Å; Y448-A491 HydrophobicContact CE1-CB 3.76Å
449V88.9Confident75.8Confident13 Ų1379 Ų798%0.07937%0.37CS..EExtended strand (participates in β ladder)trans-114.5117.4165174.30000108.3E451 E466 L467 V489 R490 Y492V449-E451 HydrophobicContact CG1-CG 4.11Å; V449-E466 HydrophobicContact CG1-CB 3.8Å; V449-E466 HydrophobicContact CG1-CG 4.35Å; V449-L467 CarbonylContact C-O 3.56Å; V449-L467 WeakPolarHBondContact CA-O 3.38Å; V449-V489 WeakPolarHBondContact O-CA 3.39Å; V449-R490 HydrophobicContact CB-CG 3.93Å; V449-R490 PolarHBondContact N-O 3.16Å; V449-R490 PolarHBondContact O-N 3.02Å; V449-Y492 HydrophobicContact CB-CE2 3.91Å; V449-Y492 HydrophobicContact CG2-CD2 3.97Å; V449-Y492 HydrophobicContact CG2-CE2 3.43Å; V449-Y492 VanDerWaalsContact CG2-CE2 3.43Å
450L90.2Very high74.2Confident0 Ų086.8 Ų86.80%041%0.406CS..EExtended strand (participates in β ladder)trans-85.1119168.2173.663.5000108.3I435 W437 L467 V469 K474 V476 F487 V489I435-L450 HydrophobicContact CB-CD1 4.33Å; I435-L450 HydrophobicContact CB-CD2 4.19Å; I435-L450 HydrophobicContact CG1-CD1 4.37Å; I435-L450 HydrophobicContact CG1-CD2 4.17Å; I435-L450 HydrophobicContact CG2-CD1 4.1Å; W437-L450 HydrophobicContact CH2-CB 4.45Å; L450-L467 PolarHBondContact N-O 2.91Å; L450-L467 PolarHBondContact O-N 2.92Å; L450-V469 HydrophobicContact CB-CG2 4.35Å; L450-K474 HydrophobicContact CD2-CB 3.87Å; L450-K474 HydrophobicContact CD2-CG 4.33Å; L450-V476 HydrophobicContact CD2-CG2 3.59Å; L450-F487 HydrophobicContact CD1-CB 4.4Å; L450-F487 HydrophobicContact CD1-CD1 4.45Å; L450-V489 HydrophobicContact CD1-CG2 3.66Å
451E90.8Very high73.3Confident1 Ų193.5 Ų93.51%0.00544%0.436CS..EExtended strand (participates in β ladder)trans-103.7135.4174.9-64-176.9-144.600110.6V449 W464 N465 E466 F487 R488 R490V449-E451 HydrophobicContact CG1-CG 4.11Å; E451-W464 HydrophobicContact CB-CB 4.18Å; E451-W464 HydrophobicContact CB-CD2 4.25Å; E451-W464 HydrophobicContact CB-CE3 3.78Å; E451-W464 HydrophobicContact CB-CG 4.46Å; E451-W464 HydrophobicContact CB-CZ3 4.49Å; E451-N465 CarbonylContact C-O 3.59Å; E451-N465 VanDerWaalsContact CA-O 3.29Å; E451-N465 WeakPolarHBondContact CA-O 3.39Å; E451-E466 HydrophobicContact CG-CG 4.25Å; E451-F487 WeakPolarHBondContact O-CA 3.22Å; E451-R488 HydrophobicContact CB-CG 3.8Å; E451-R488 PolarHBondContact N-O 2.9Å; E451-R488 PolarHBondContact O-N 2.76Å; E451-R488 IonicContact OE1-NE 3.17Å; E451-R488 IonicContact OE1-NH2 3.45Å; E451-R488 IonicContact OE2-CZ 2.64Å; E451-R488 IonicContact OE2-NE 2.74Å; E451-R488 PolarHBondContact OE2-NE 2.96Å; E451-R488 IonicContact OE2-NH2 2.71Å; E451-R488 PolarHBondContact OE2-NH2 2.85Å; E451-R490 VanDerWaalsContact OE1-CD 3.28Å; E451-R490 WeakPolarHBondContact OE1-CD 3.35Å; E451-R490 IonicContact OE1-CZ 3.01Å; E451-R490 IonicContact OE1-NE 3.1Å; E451-R490 IonicContact OE1-NH1 3.42Å; E451-R490 PolarHBondContact OE1-NH1 3.05Å
452Y91.1Very high73.2Confident43 Ų4389.6 Ų89.617%0.16942%0.419CS..EExtended strand (participates in β ladder)trans-141.6147.8175.171.5-77.9000114N465 L467 V476 L479 Y485 A486 F487Y452-N465 HydrophobicContact CD1-CB 3.94Å; Y452-N465 WeakPolarHBondContact CD1-O 3.47Å; Y452-N465 HydrophobicContact CD2-CB 4.48Å; Y452-N465 HydrophobicContact CE1-CB 3.49Å; Y452-N465 VanDerWaalsContact CE1-CB 3.49Å; Y452-N465 HydrophobicContact CE2-CB 4.1Å; Y452-N465 HydrophobicContact CG-CB 4.4Å; Y452-N465 PolarHBondContact N-O 3.26Å; Y452-N465 WeakPolarHBondContact O-CB 3.46Å; Y452-N465 PolarHBondContact O-N 3.02Å; Y452-N465 PolarHBondContact O-ND2 3.01Å; Y452-N465 VanDerWaalsContact O-ND2 3.1Å; Y452-L467 HydrophobicContact CD1-CD1 4.22Å; Y452-L467 HydrophobicContact CE1-CD1 3.66Å; Y452-L467 HydrophobicContact CE1-CG 3.98Å; Y452-V476 HydrophobicContact CD1-CG1 4.03Å; Y452-V476 HydrophobicContact CD1-CG2 4.32Å; Y452-V476 HydrophobicContact CD2-CG1 3.88Å; Y452-V476 HydrophobicContact CE1-CG1 3.76Å; Y452-V476 HydrophobicContact CE2-CG1 3.6Å; Y452-V476 HydrophobicContact CG-CG1 4.1Å; Y452-L479 HydrophobicContact CD2-CD2 4.34Å; Y452-L479 HydrophobicContact CE2-CD2 4.29Å; Y452-Y485 HydrophobicContact CD2-CD1 4.4Å; Y452-A486 VanDerWaalsContact CA-O 3.26Å; Y452-A486 WeakPolarHBondContact CA-O 3.35Å; Y452-F487 VanDerWaalsContact CB-CD1 3.48Å; Y452-F487 HydrophobicContact CG-CD1 4.44Å; Y452-F487 HydrophobicContact CG-CE1 4.23Å
453R89.6Confident74Confident74 Ų7485.1 Ų85.128%0.27941%0.411SS..EExtended strand (participates in β ladder)trans-145151.7176.466.9179.3173.6176.5-6.9112W464 Y485 A486 E503R453-W464 HydrophobicContact CB-CD2 4.32Å; R453-W464 HydrophobicContact CB-CE3 4.06Å; R453-W464 HydrophobicContact CB-CZ3 4.43Å; R453-W464 HydrophobicContact CG-CD2 4.08Å; R453-W464 HydrophobicContact CG-CE3 3.8Å; R453-W464 HydrophobicContact CG-CH2 3.96Å; R453-W464 HydrophobicContact CG-CZ2 4.22Å; R453-W464 HydrophobicContact CG-CZ3 3.74Å; R453-Y485 CarbonylContact O-C 3.54Å; R453-Y485 VanDerWaalsContact O-CA 3.29Å; R453-Y485 WeakPolarHBondContact O-CA 3.47Å; R453-Y485 WeakPolarHBondContact O-CD1 3.35Å; R453-A486 HydrophobicContact CG-CB 4.11Å; R453-A486 PolarHBondContact N-O 3.49Å; R453-A486 PolarHBondContact O-N 2.87Å; R453-E503 IonicContact CZ-OE2 2.7Å; R453-E503 IonicContact NH2-OE1 3.88Å; R453-E503 PolarHBondContact NH2-OE1 2.93Å; R453-E503 IonicContact NH2-OE2 2.66Å; R453-E503 PolarHBondContact NH2-OE2 3.34Å
454K87.3Confident75Confident58 Ų5885.4 Ų85.425%0.25241%0.409SS..EExtended strand (participates in β ladder)trans-78.8136.2168.4-169.6-175.4-177.1-175.50109.6N456 E480 S483 Y485K454-N456 PolarHBondContact O-N 3.18Å; K454-E480 IonicContact NZ-OE1 3.67Å; K454-E480 PolarHBondContact NZ-OE1 3.19Å; K454-E480 IonicContact NZ-OE2 2.6Å; K454-E480 PolarHBondContact NZ-OE2 2.92Å; K454-S483 WeakPolarHBondContact CE-OG 3.34Å; K454-Y485 HydrophobicContact CB-CD1 4.14Å; K454-Y485 HydrophobicContact CB-CE1 3.7Å; K454-Y485 HydrophobicContact CG-CE1 4.23Å; K454-Y485 HydrophobicContact CG-CE2 4.5Å
455I83.3Confident76Confident73 Ų7380.8 Ų80.837%0.37439%0.393SS..  trans-93.696.6177.4-50.1177.8000109H484 A486 V505I455-H484 HydrophobicContact CB-CB 4.16Å; I455-H484 HydrophobicContact CD1-CB 4.24Å; I455-H484 HydrophobicContact CG1-CB 4.44Å; I455-H484 PolarHBondContact N-O 2.87Å; I455-A486 HydrophobicContact CD1-CB 4.05Å; I455-A486 HydrophobicContact CG1-CB 4.19Å; I455-V505 HydrophobicContact CD1-CG1 3.68Å; I455-V505 HydrophobicContact CD1-CG2 4Å
456N78.3Confident76.8Confident66 Ų6684.9 Ų84.935%0.35341%0.409SS..  trans-85.7140.1167.8-71.8-9.4000109.4K454 E459K454-N456 PolarHBondContact O-N 3.18Å; N456-E459 HydrophobicContact CB-CB 4.25Å; N456-E459 PolarHBondContact ND2-OE2 3.24Å
457R61.2Low77.1Confident236 Ų23682.8 Ų82.889%0.89140%0.398SS*.SBendtrans-77.6-19.4-179.1-69.1-172180-153.6-0.9114.2
458D56.8Low77.3Confident160 Ų16087.9 Ų87.986%0.85642%0.42SS*.SBendtrans-112.81.3-170.1-59.5-51.6000113.7
459E50.6Low77.2Confident117 Ų11787.3 Ų87.355%0.54742%0.418SS..  trans-129.496.1-175.5-69.8178.3148.200111.3N456 M461N456-E459 HydrophobicContact CB-CB 4.25Å; N456-E459 PolarHBondContact ND2-OE2 3.24Å; E459-M461 PolarHBondContact O-N 3.44Å
460E48.1Very low76.8Confident197 Ų19793.3 Ų93.392%0.92145%0.445SS*.SBendtrans-67125.2164.4-66.5-178.3158.200109.3
461M52Low76.5Confident183 Ų18394.6 Ų94.690%0.90146%0.458SS*.  trans85.356.1166.6-152.415465.400118.6E459E459-M461 PolarHBondContact O-N 3.44Å
462M60.6Low76.3Confident115 Ų11597.9 Ų97.957%0.56748%0.478SS*.PPolyproline II helixtrans-77.1141.6150.9-74.9-66.3-73.800111.3
463S73.5Confident76Confident91 Ų9196.9 Ų96.964%0.63648%0.477SS*.PPolyproline II helixtrans-68.8149.2174.4550000112.1
464W84.6Confident75.9Confident44 Ų4496.4 Ų96.417%0.16748%0.477CS..PPolyproline II helixtrans-71.1140.9170.8-66.588.5000110.6E451 R453 A486 R488 E503E451-W464 HydrophobicContact CB-CB 4.18Å; E451-W464 HydrophobicContact CB-CD2 4.25Å; E451-W464 HydrophobicContact CB-CE3 3.78Å; E451-W464 HydrophobicContact CB-CG 4.46Å; E451-W464 HydrophobicContact CB-CZ3 4.49Å; R453-W464 HydrophobicContact CB-CD2 4.32Å; R453-W464 HydrophobicContact CB-CE3 4.06Å; R453-W464 HydrophobicContact CB-CZ3 4.43Å; R453-W464 HydrophobicContact CG-CD2 4.08Å; R453-W464 HydrophobicContact CG-CE3 3.8Å; R453-W464 HydrophobicContact CG-CH2 3.96Å; R453-W464 HydrophobicContact CG-CZ2 4.22Å; R453-W464 HydrophobicContact CG-CZ3 3.74Å; W464-A486 HydrophobicContact CH2-CB 3.87Å; W464-A486 HydrophobicContact CZ3-CB 4.13Å; W464-A486 WeakPolarHBondContact CZ3-O 3.46Å; W464-R488 HydrophobicContact CE3-CG 4.25Å; W464-R488 HydrophobicContact CH2-CG 3.93Å; W464-R488 HydrophobicContact CZ2-CG 4.43Å; W464-R488 HydrophobicContact CZ3-CG 3.83Å; W464-E503 HydrophobicContact CH2-CG 4.07Å; W464-E503 HydrophobicContact CZ2-CG 4.5Å; W464-E503 WeakPolarHBondContact CZ2-OE1 3.2Å
465N86.9Confident75.9Confident78 Ų7894.8 Ų94.842%0.41747%0.472SS..EExtended strand (participates in β ladder)trans-87.5125.8168.1-58.1-83.7000107.8E451 Y452E451-N465 CarbonylContact C-O 3.59Å; E451-N465 VanDerWaalsContact CA-O 3.29Å; E451-N465 WeakPolarHBondContact CA-O 3.39Å; Y452-N465 HydrophobicContact CD1-CB 3.94Å; Y452-N465 WeakPolarHBondContact CD1-O 3.47Å; Y452-N465 HydrophobicContact CD2-CB 4.48Å; Y452-N465 HydrophobicContact CE1-CB 3.49Å; Y452-N465 VanDerWaalsContact CE1-CB 3.49Å; Y452-N465 HydrophobicContact CE2-CB 4.1Å; Y452-N465 HydrophobicContact CG-CB 4.4Å; Y452-N465 PolarHBondContact N-O 3.26Å; Y452-N465 WeakPolarHBondContact O-CB 3.46Å; Y452-N465 PolarHBondContact O-N 3.02Å; Y452-N465 PolarHBondContact O-ND2 3.01Å; Y452-N465 VanDerWaalsContact O-ND2 3.1Å
466E89.4Confident76Confident104 Ų10491.4 Ų91.449%0.48646%0.455SS..EExtended strand (participates in β ladder)trans-101.7138.3-177-52.2-160.4157.300111V449 E451 R490V449-E466 HydrophobicContact CG1-CB 3.8Å; V449-E466 HydrophobicContact CG1-CG 4.35Å; E451-E466 HydrophobicContact CG-CG 4.25Å; E466-R490 IonicContact OE1-CZ 3.45Å; E466-R490 VanDerWaalsContact OE1-CZ 3.29Å; E466-R490 IonicContact OE1-NH1 2.7Å; E466-R490 PolarHBondContact OE1-NH1 3.16Å; E466-R490 IonicContact OE1-NH2 3.31Å; E466-R490 PolarHBondContact OE1-NH2 2.88Å; E466-R490 IonicContact OE2-CZ 3.8Å; E466-R490 IonicContact OE2-NH1 2.62Å; E466-R490 IonicContact OE2-NH2 2.83Å; E466-R490 PolarHBondContact OE2-NH2 2.67Å
467L86.3Confident76.3Confident56 Ų5690.4 Ų90.429%0.29345%0.453SS..EExtended strand (participates in β ladder)trans-132.1122.7173.5-67172.8000109.6V449 L450 Y452 V476V449-L467 CarbonylContact C-O 3.56Å; V449-L467 WeakPolarHBondContact CA-O 3.38Å; L450-L467 PolarHBondContact N-O 2.91Å; L450-L467 PolarHBondContact O-N 2.92Å; Y452-L467 HydrophobicContact CD1-CD1 4.22Å; Y452-L467 HydrophobicContact CE1-CD1 3.66Å; Y452-L467 HydrophobicContact CE1-CG 3.98Å; L467-V476 HydrophobicContact CD1-CG2 4Å
468E85.5Confident77.2Confident123 Ų12386.8 Ų86.858%0.57545%0.451SS*.EExtended strand (participates in β ladder)trans-77.1140.1172.9-170.2171.4-169.400111.2H470E468-H470 IonicContact OE1-CE1 3.33Å
469V87.4Confident78.5Confident1 Ų180.2 Ų80.21%0.00642%0.416CS..EExtended strand (participates in β ladder)trans-145.2131-172.8-170.90000109.6W437 Y448 L450 G471 S473 K474W437-V469 HydrophobicContact CH2-CB 4.16Å; W437-V469 HydrophobicContact CH2-CG1 3.88Å; W437-V469 HydrophobicContact CH2-CG2 4.13Å; W437-V469 HydrophobicContact CZ2-CB 4.13Å; W437-V469 HydrophobicContact CZ2-CG1 3.91Å; Y448-V469 PolarHBondContact N-O 3.4Å; Y448-V469 PolarHBondContact O-N 3.16Å; L450-V469 HydrophobicContact CB-CG2 4.35Å; V469-G471 WeakPolarHBondContact CG1-O 3.47Å; V469-S473 WeakPolarHBondContact CG1-O 3.37Å; V469-K474 HydrophobicContact CG1-CB 4.29Å; V469-K474 HydrophobicContact CG1-CD 4.13Å; V469-K474 HydrophobicContact CG2-CB 3.88Å; V469-K474 HydrophobicContact CG2-CD 3.8Å; V469-K474 HydrophobicContact CG2-CG 3.72Å
470H80.3Confident80Confident140 Ų14079.6 Ų79.665%0.64841%0.413SS*.SBendtrans-98.5-11.3177.7-57.5-62.7000113.5E468E468-H470 IonicContact OE1-CE1 3.33Å
471G83.6Confident81.6Confident26 Ų2673 Ų7327%0.26839%0.389SS..SBendtrans-101.1-173.9171.500000113.7W437 Y448 V469W437-G471 WeakPolarHBondContact CZ2-O 3.49Å; Y448-G471 WeakPolarHBondContact CD2-O 3.5Å; V469-G471 WeakPolarHBondContact CG1-O 3.47Å
472T85.2Confident83.2Confident70 Ų7068.6 Ų68.643%0.42937%0.369SS..SBendtrans-95.913178.650.60000113.9W437 Y448W437-T472 VanDerWaalsContact CD2-O 3.31Å; W437-T472 PolarHBondContact N-O 2.85Å; W437-T472 WeakPolarHBondContact O-CB 3.33Å; Y448-T472 HydrophobicContact CE2-CG2 4.43Å
473S86.4Confident84.5Confident23 Ų2363.8 Ų63.816%0.16135%0.347CS..EExtended strand (participates in β ladder)trans-146.4151.8-178.169.50000111.6I435 N436 V469I435-S473 CarbonylContact O-C 3.58Å; I435-S473 VanDerWaalsContact O-CA 3.31Å; I435-S473 WeakPolarHBondContact O-CA 3.46Å; N436-S473 WeakPolarHBondContact OD1-CB 3.33Å; V469-S473 WeakPolarHBondContact CG1-O 3.37Å
474K87.1Confident85.1Confident64 Ų6463.5 Ų63.528%0.27834%0.335SS..EExtended strand (participates in β ladder)trans-153.3145.4171.4-162.162.8168.3-1710113I435 W437 L450 V469I435-K474 PolarHBondContact N-O 3.11Å; I435-K474 PolarHBondContact O-N 2.73Å; W437-K474 HydrophobicContact CH2-CB 4.02Å; W437-K474 HydrophobicContact CZ3-CB 4.26Å; L450-K474 HydrophobicContact CD2-CB 3.87Å; L450-K474 HydrophobicContact CD2-CG 4.33Å; V469-K474 HydrophobicContact CG1-CB 4.29Å; V469-K474 HydrophobicContact CG1-CD 4.13Å; V469-K474 HydrophobicContact CG2-CB 3.88Å; V469-K474 HydrophobicContact CG2-CD 3.8Å; V469-K474 HydrophobicContact CG2-CG 3.72Å
475V86.2Confident85.3Confident24 Ų2462.2 Ų62.215%0.14533%0.331CS..EExtended strand (participates in β ladder)trans-97.1120170.1-176.10000110.5N432 A433 L434 I718 L723N432-V475 HydrophobicContact CB-CG1 3.6Å; A433-V475 CarbonylContact O-C 3.51Å; A433-V475 VanDerWaalsContact O-CA 3.31Å; A433-V475 WeakPolarHBondContact O-CA 3.41Å; L434-V475 HydrophobicContact CD1-CG2 4.1Å; V475-I718 HydrophobicContact CG1-CG2 4.12Å; V475-I718 HydrophobicContact CG2-CG2 4.25Å; V475-L723 HydrophobicContact CG2-CD1 3.46Å; V475-L723 VanDerWaalsContact CG2-CD1 3.46Å
476V85.7Confident85.5Confident2 Ų258.5 Ų58.51%0.01231%0.311CS..EExtended strand (participates in β ladder)trans-96.6122.4170.1-172.80000109N432 A433 L450 Y452 L467 L479 F487N432-V476 CarbonylContact C-O 3.58Å; N432-V476 WeakPolarHBondContact CA-O 3.33Å; N432-V476 WeakPolarHBondContact CB-O 3.29Å; A433-V476 HydrophobicContact CB-CB 4.35Å; A433-V476 PolarHBondContact N-O 2.77Å; A433-V476 PolarHBondContact O-N 3Å; L450-V476 HydrophobicContact CD2-CG2 3.59Å; Y452-V476 HydrophobicContact CD1-CG1 4.03Å; Y452-V476 HydrophobicContact CD1-CG2 4.32Å; Y452-V476 HydrophobicContact CD2-CG1 3.88Å; Y452-V476 HydrophobicContact CE1-CG1 3.76Å; Y452-V476 HydrophobicContact CE2-CG1 3.6Å; Y452-V476 HydrophobicContact CG-CG1 4.1Å; L467-V476 HydrophobicContact CD1-CG2 4Å; V476-L479 HydrophobicContact CG1-CD2 3.98Å; V476-F487 HydrophobicContact CB-CE1 4.35Å; V476-F487 HydrophobicContact CG2-CE1 4.11Å
477S85.1Confident85.6Confident44 Ų4453.6 Ų53.631%0.30829%0.288SS..  trans-106.6169.8-177.5-54.90000112N432 L479N432-S477 WeakPolarHBondContact OD1-CA 3.44Å; N432-S477 WeakPolarHBondContact OD1-CB 3.38Å; N432-S477 PolarHBondContact OD1-OG 3.45Å; S477-L479 PolarHBondContact O-N 2.83Å
478N80Confident85.8Confident160 Ų16053.3 Ų53.386%0.85628%0.283SS*.  trans63.433.9177.6-51.5-47.2000114.9
479L83.6Confident86.1Confident23 Ų2347.5 Ų47.512%0.1226%0.256CS..PPolyproline II helixtrans-75.2143172.9-58.4175.3000111V429 A433 Y452 V476 S477 Y485 F487 T508V429-L479 HydrophobicContact CG1-CD1 4.09Å; A433-L479 HydrophobicContact CB-CD1 3.56Å; Y452-L479 HydrophobicContact CD2-CD2 4.34Å; Y452-L479 HydrophobicContact CE2-CD2 4.29Å; V476-L479 HydrophobicContact CG1-CD2 3.98Å; S477-L479 PolarHBondContact O-N 2.83Å; L479-Y485 HydrophobicContact CB-CE2 3.99Å; L479-Y485 HydrophobicContact CD2-CD1 3.84Å; L479-Y485 HydrophobicContact CD2-CD2 4.28Å; L479-Y485 HydrophobicContact CD2-CE1 3.63Å; L479-Y485 HydrophobicContact CD2-CE2 4.09Å; L479-Y485 HydrophobicContact CD2-CG 4.16Å; L479-F487 HydrophobicContact CD1-CZ 4.29Å; L479-T508 HydrophobicContact CB-CG2 3.94Å; L479-T508 HydrophobicContact CD1-CG2 4.22Å
480E82.8Confident86.1Confident103 Ų10349.1 Ų49.148%0.48126%0.262SS..PPolyproline II helixtrans-71.6141.1173.5-71.6-179.1-115.900111.1K454 Y485 T508K454-E480 IonicContact NZ-OE1 3.67Å; K454-E480 PolarHBondContact NZ-OE1 3.19Å; K454-E480 IonicContact NZ-OE2 2.6Å; K454-E480 PolarHBondContact NZ-OE2 2.92Å; E480-Y485 PolarHBondContact N-OH 3.2Å; E480-T508 WeakPolarHBondContact O-CB 3.45Å; E480-T508 WeakPolarHBondContact O-CG2 3.32Å; E480-T508 PolarHBondContact O-OG1 3.26Å
481S82.6Confident86.4Confident60 Ų6042.5 Ų42.542%0.4223%0.231SC..THydrogen-bonded Turntrans-65.3155.7173.5-50.70000112.3S483 T508 P509S481-S483 PolarHBondContact O-N 2.82Å; S481-S483 PolarHBondContact O-OG 3.18Å; S481-S483 VanDerWaalsContact O-OG 3.09Å; S481-T508 VanDerWaalsContact C-OG1 3.31Å; S481-P509 WeakPolarHBondContact CB-O 3.32Å
482N84.6Confident86Confident89 Ų8943.7 Ų43.748%0.47623%0.228SC..THydrogen-bonded Turntrans50.239.5177.1-157.580.7000114.5T508 P509N482-T508 PolarHBondContact N-O 3.05Å; N482-T508 PolarHBondContact N-OG1 3.17Å; N482-T508 VanDerWaalsContact N-OG1 3.09Å; N482-P509 PolarHBondContact N-O 3.34Å
483S87.2Confident85.6Confident15 Ų1543.4 Ų43.411%0.10522%0.219CC..  trans-130.9142.3-172.4-68.30000110.9K454 S481 H507 T508K454-S483 WeakPolarHBondContact CE-OG 3.34Å; S481-S483 PolarHBondContact O-N 2.82Å; S481-S483 PolarHBondContact O-OG 3.18Å; S481-S483 VanDerWaalsContact O-OG 3.09Å; S483-H507 PolarHBondContact O-CD2 3.36Å; S483-T508 PolarHBondContact N-OG1 3.49Å; S483-T508 PolarHBondContact O-N 3.03Å; S483-T508 PolarHBondContact O-OG1 3.49Å; S483-T508 VanDerWaalsContact O-OG1 3.11Å
484H87.6Confident84.9Confident85 Ų8545.2 Ų45.239%0.39424%0.241SC..EExtended strand (participates in β ladder)trans-88.5129.9176.6-67.762.3000109I455 H507I455-H484 HydrophobicContact CB-CB 4.16Å; I455-H484 HydrophobicContact CD1-CB 4.24Å; I455-H484 HydrophobicContact CG1-CB 4.44Å; I455-H484 PolarHBondContact N-O 2.87Å; H484-H507 AromaticContact CE1-CD2 3.22Å; H484-H507 PolarHBondContact CE1-CD2 2.62Å; H484-H507 AromaticContact CE1-CG 3.8Å; H484-H507 AromaticContact CE1-NE2 3.53Å; H484-H507 AromaticContact CG-CD2 3.82Å; H484-H507 AromaticContact ND1-CD2 3.18Å; H484-H507 PolarHBondContact ND1-CD2 3.16Å; H484-H507 AromaticContact ND1-NE2 3.65Å; H484-H507 AromaticContact NE2-CD2 3.9Å
485Y89Confident83.8Confident16 Ų1648 Ų486%0.06327%0.269CS..EExtended strand (participates in β ladder)trans-120.1133.7175.5-76.4-92.9000110.1Y452 R453 K454 L479 E480 F487 V505 L506 T508Y452-Y485 HydrophobicContact CD2-CD1 4.4Å; R453-Y485 CarbonylContact O-C 3.54Å; R453-Y485 VanDerWaalsContact O-CA 3.29Å; R453-Y485 WeakPolarHBondContact O-CA 3.47Å; R453-Y485 WeakPolarHBondContact O-CD1 3.35Å; K454-Y485 HydrophobicContact CB-CD1 4.14Å; K454-Y485 HydrophobicContact CB-CE1 3.7Å; K454-Y485 HydrophobicContact CG-CE1 4.23Å; K454-Y485 HydrophobicContact CG-CE2 4.5Å; L479-Y485 HydrophobicContact CB-CE2 3.99Å; L479-Y485 HydrophobicContact CD2-CD1 3.84Å; L479-Y485 HydrophobicContact CD2-CD2 4.28Å; L479-Y485 HydrophobicContact CD2-CE1 3.63Å; L479-Y485 HydrophobicContact CD2-CE2 4.09Å; L479-Y485 HydrophobicContact CD2-CG 4.16Å; E480-Y485 PolarHBondContact N-OH 3.2Å; Y485-F487 HydrophobicContact CG-CZ 4.47Å; Y485-V505 WeakPolarHBondContact O-CA 3.43Å; Y485-L506 PolarHBondContact N-O 3.21Å; Y485-L506 PolarHBondContact O-N 3.43Å; Y485-T508 HydrophobicContact CD2-CG2 3.87Å; Y485-T508 HydrophobicContact CE2-CG2 4.01Å
486A90Very high82.9Confident0 Ų049.5 Ų49.50%028%0.275CS..EExtended strand (participates in β ladder)trans-94.8137168.400000109.2Y452 R453 I455 W464 L504 V505Y452-A486 VanDerWaalsContact CA-O 3.26Å; Y452-A486 WeakPolarHBondContact CA-O 3.35Å; R453-A486 HydrophobicContact CG-CB 4.11Å; R453-A486 PolarHBondContact N-O 3.49Å; R453-A486 PolarHBondContact O-N 2.87Å; I455-A486 HydrophobicContact CD1-CB 4.05Å; I455-A486 HydrophobicContact CG1-CB 4.19Å; W464-A486 HydrophobicContact CH2-CB 3.87Å; W464-A486 HydrophobicContact CZ3-CB 4.13Å; W464-A486 WeakPolarHBondContact CZ3-O 3.46Å; A486-L504 WeakPolarHBondContact CA-O 3.3Å; A486-V505 HydrophobicContact CB-CG2 4.33Å
487F91.3Very high82.4Confident1 Ų151.8 Ų51.80%0.00429%0.291CS..EExtended strand (participates in β ladder)trans-124.4138.1176.6-59.8-90.6000109.3V429 A433 I435 L450 E451 Y452 V476 L479 Y485 E503 L504 L506V429-F487 HydrophobicContact CG2-CE2 4.49Å; A433-F487 HydrophobicContact CB-CE1 3.9Å; A433-F487 HydrophobicContact CB-CE2 4.34Å; A433-F487 HydrophobicContact CB-CZ 3.55Å; I435-F487 HydrophobicContact CD1-CB 4.13Å; I435-F487 HydrophobicContact CD1-CD1 3.79Å; I435-F487 HydrophobicContact CD1-CD2 3.87Å; I435-F487 HydrophobicContact CD1-CE1 4.14Å; I435-F487 HydrophobicContact CD1-CE2 4.21Å; I435-F487 HydrophobicContact CD1-CG 3.65Å; I435-F487 HydrophobicContact CD1-CZ 4.35Å; I435-F487 HydrophobicContact CG1-CB 4.32Å; I435-F487 HydrophobicContact CG1-CD1 3.67Å; I435-F487 HydrophobicContact CG1-CE1 4.13Å; I435-F487 HydrophobicContact CG1-CG 3.97Å; L450-F487 HydrophobicContact CD1-CB 4.4Å; L450-F487 HydrophobicContact CD1-CD1 4.45Å; E451-F487 WeakPolarHBondContact O-CA 3.22Å; Y452-F487 VanDerWaalsContact CB-CD1 3.48Å; Y452-F487 HydrophobicContact CG-CD1 4.44Å; Y452-F487 HydrophobicContact CG-CE1 4.23Å; V476-F487 HydrophobicContact CB-CE1 4.35Å; V476-F487 HydrophobicContact CG2-CE1 4.11Å; L479-F487 HydrophobicContact CD1-CZ 4.29Å; Y485-F487 HydrophobicContact CG-CZ 4.47Å; F487-E503 CarbonylContact O-C 3.31Å; F487-E503 WeakPolarHBondContact O-CA 3.49Å; F487-L504 PolarHBondContact N-O 3.42Å; F487-L504 PolarHBondContact O-N 3.12Å; F487-L506 HydrophobicContact CD2-CD1 4.11Å; F487-L506 HydrophobicContact CD2-CG 4.47Å; F487-L506 HydrophobicContact CE2-CB 4.2Å; F487-L506 HydrophobicContact CE2-CD1 4.17Å
488R91.8Very high82.2Confident51 Ų5150 Ų5019%0.19228%0.279CS..EExtended strand (participates in β ladder)trans-145.7149.5171.266.2-171.6-171.6168.812110E451 W464 C500 S501 E503E451-R488 HydrophobicContact CB-CG 3.8Å; E451-R488 PolarHBondContact N-O 2.9Å; E451-R488 PolarHBondContact O-N 2.76Å; E451-R488 IonicContact OE1-NE 3.17Å; E451-R488 IonicContact OE1-NH2 3.45Å; E451-R488 IonicContact OE2-CZ 2.64Å; E451-R488 IonicContact OE2-NE 2.74Å; E451-R488 PolarHBondContact OE2-NE 2.96Å; E451-R488 IonicContact OE2-NH2 2.71Å; E451-R488 PolarHBondContact OE2-NH2 2.85Å; W464-R488 HydrophobicContact CE3-CG 4.25Å; W464-R488 HydrophobicContact CH2-CG 3.93Å; W464-R488 HydrophobicContact CZ2-CG 4.43Å; W464-R488 HydrophobicContact CZ3-CG 3.83Å; R488-C500 HydrophobicContact CB-CB 4.46Å; R488-C500 HydrophobicContact CG-CB 4.28Å; R488-S501 WeakPolarHBondContact CA-OG 3.41Å; R488-E503 HydrophobicContact CB-CG 4.4Å
489V90.8Very high82.2Confident0 Ų046.1 Ų46.10%026%0.262CS..EExtended strand (participates in β ladder)trans-117.5142.9-179.9-1780000109.1P420 I422 W437 Y448 V449 L450 S501P420-V489 HydrophobicContact CB-CB 4.5Å; P420-V489 HydrophobicContact CB-CG1 4.15Å; P420-V489 HydrophobicContact CG-CB 4.02Å; P420-V489 HydrophobicContact CG-CG1 3.75Å; I422-V489 HydrophobicContact CD1-CG2 3.99Å; I422-V489 HydrophobicContact CG1-CG2 4.03Å; W437-V489 HydrophobicContact CD2-CB 4.46Å; W437-V489 HydrophobicContact CD2-CG1 4.02Å; W437-V489 HydrophobicContact CD2-CG2 3.85Å; W437-V489 HydrophobicContact CE3-CG2 3.69Å; W437-V489 HydrophobicContact CG-CG1 4.22Å; W437-V489 HydrophobicContact CG-CG2 4.3Å; W437-V489 HydrophobicContact CZ2-CG1 4.25Å; W437-V489 HydrophobicContact CZ3-CG2 4.07Å; Y448-V489 HydrophobicContact CD1-CG1 4.1Å; Y448-V489 HydrophobicContact CG-CG1 4.42Å; V449-V489 WeakPolarHBondContact O-CA 3.39Å; L450-V489 HydrophobicContact CD1-CG2 3.66Å; V489-S501 PolarHBondContact N-OG 2.84Å; V489-S501 WeakPolarHBondContact O-CB 3.43Å; V489-S501 PolarHBondContact O-N 2.93Å
490R87.4Confident82.2Confident36 Ų3647.1 Ų47.114%0.13627%0.271CS..EExtended strand (participates in β ladder)trans-125.4140.9167.262.5-175-165-140.9-0.7109.4Y448 V449 E451 E466 Y492 S498Y448-R490 CarbonylContact C-O 3.47Å; Y448-R490 WeakPolarHBondContact CA-O 3.37Å; V449-R490 HydrophobicContact CB-CG 3.93Å; V449-R490 PolarHBondContact N-O 3.16Å; V449-R490 PolarHBondContact O-N 3.02Å; E451-R490 VanDerWaalsContact OE1-CD 3.28Å; E451-R490 WeakPolarHBondContact OE1-CD 3.35Å; E451-R490 IonicContact OE1-CZ 3.01Å; E451-R490 IonicContact OE1-NE 3.1Å; E451-R490 IonicContact OE1-NH1 3.42Å; E451-R490 PolarHBondContact OE1-NH1 3.05Å; E466-R490 IonicContact OE1-CZ 3.45Å; E466-R490 VanDerWaalsContact OE1-CZ 3.29Å; E466-R490 IonicContact OE1-NH1 2.7Å; E466-R490 PolarHBondContact OE1-NH1 3.16Å; E466-R490 IonicContact OE1-NH2 3.31Å; E466-R490 PolarHBondContact OE1-NH2 2.88Å; E466-R490 IonicContact OE2-CZ 3.8Å; E466-R490 IonicContact OE2-NH1 2.62Å; E466-R490 IonicContact OE2-NH2 2.83Å; E466-R490 PolarHBondContact OE2-NH2 2.67Å; R490-Y492 HydrophobicContact CG-CE2 3.83Å; R490-Y492 VanDerWaalsContact CZ-OH 3.23Å; R490-Y492 PolarHBondContact NE-OH 3.38Å; R490-Y492 PolarHBondContact NH2-OH 3.08Å; R490-S498 WeakPolarHBondContact CA-OG 3.44Å
491A85.8Confident82.4Confident0 Ų042.7 Ų42.70%025%0.251CS..EExtended strand (participates in β ladder)trans-100.2143.6-176.700000110.7V417 P420 A445 Y448 C497 S498V417-A491 HydrophobicContact CG1-CB 3.63Å; P420-A491 HydrophobicContact CG-CB 4.05Å; A445-A491 HydrophobicContact CB-CB 3.86Å; Y448-A491 HydrophobicContact CD1-CB 3.71Å; Y448-A491 HydrophobicContact CE1-CB 3.76Å; A491-C497 CarbonylContact O-C 3.58Å; A491-C497 WeakPolarHBondContact O-CA 2.62Å; A491-S498 PolarHBondContact N-OG 3.48Å; A491-S498 PolarHBondContact O-N 3.46Å
492Y76.5Confident82.6Confident52 Ų5248.4 Ų48.420%0.20426%0.263CS..EExtended strand (participates in β ladder)trans-121.4139-179.4-77.9-94000111.5A445 D446 S447 V449 R490 I496 C497A445-Y492 CarbonylContact C-O 3.58Å; A445-Y492 WeakPolarHBondContact CB-O 3.48Å; D446-Y492 PolarHBondContact N-O 3.1Å; S447-Y492 PolarHBondContact N-O 3Å; S447-Y492 PolarHBondContact O-N 3Å; V449-Y492 HydrophobicContact CB-CE2 3.91Å; V449-Y492 HydrophobicContact CG2-CD2 3.97Å; V449-Y492 HydrophobicContact CG2-CE2 3.43Å; V449-Y492 VanDerWaalsContact CG2-CE2 3.43Å; R490-Y492 HydrophobicContact CG-CE2 3.83Å; R490-Y492 VanDerWaalsContact CZ-OH 3.23Å; R490-Y492 PolarHBondContact NE-OH 3.38Å; R490-Y492 PolarHBondContact NH2-OH 3.08Å; Y492-I496 CarbonylContact C-O 3.59Å; Y492-I496 VanDerWaalsContact CA-O 3.31Å; Y492-I496 WeakPolarHBondContact CA-O 3.07Å; Y492-C497 HydrophobicContact CD1-CB 4Å; Y492-C497 HydrophobicContact CE1-CB 3.65Å
493R76.1Confident82.8Confident63 Ų6347.8 Ų47.824%0.23826%0.257CS..EExtended strand (participates in β ladder)trans-131.9109.4165.1-172.5-171.8-76.5163.1-6108.4V417 D443 K444 D446 S495 I496V417-R493 HydrophobicContact CG2-CB 3.8Å; D443-R493 VanDerWaalsContact CA-NH2 3.28Å; D443-R493 IonicContact OD1-CZ 3.82Å; D443-R493 IonicContact OD1-NH1 2.63Å; D443-R493 PolarHBondContact OD1-NH1 3.16Å; D443-R493 IonicContact OD1-NH2 3.94Å; D443-R493 PolarHBondContact OD1-NH2 3.27Å; K444-R493 VanDerWaalsContact O-CZ 3.32Å; K444-R493 PolarHBondContact O-NE 3.49Å; K444-R493 PolarHBondContact O-NH2 3.42Å; D446-R493 VanDerWaalsContact OD2-CA 3.25Å; D446-R493 WeakPolarHBondContact OD2-CA 3.5Å; D446-R493 WeakPolarHBondContact OD2-CG 3.26Å; R493-S495 PolarHBondContact O-N 3.38Å; R493-I496 PolarHBondContact N-O 3.44Å; R493-I496 WeakPolarHBondContact O-CB 3.23Å; R493-I496 PolarHBondContact O-N 3.47Å
494G72.2Confident82.9Confident62 Ų6247.6 Ų47.664%0.63926%0.255SS*.THydrogen-bonded Turntrans51.3-117.8-165.700000112.2D446D446-G494 PolarHBondContact OD2-N 3.14Å
495S64.7Low82.9Confident123 Ų12347 Ų4786%0.8626%0.258SS*.THydrogen-bonded Turntrans-90.1-1.2177.253.70000114.7R493R493-S495 PolarHBondContact O-N 3.38Å
496I65.9Low82.8Confident54 Ų5447.9 Ų47.928%0.27726%0.263SS..EExtended strand (participates in β ladder)trans-93132.3-177-52.1179.5000109.5S414 V417 Y492 R493S414-I496 WeakPolarHBondContact OG-CD1 3.19Å; V417-I496 HydrophobicContact CG2-CG2 4.17Å; Y492-I496 CarbonylContact C-O 3.59Å; Y492-I496 VanDerWaalsContact CA-O 3.31Å; Y492-I496 WeakPolarHBondContact CA-O 3.07Å; R493-I496 PolarHBondContact N-O 3.44Å; R493-I496 WeakPolarHBondContact O-CB 3.23Å; R493-I496 PolarHBondContact O-N 3.47Å
497C76.2Confident82.7Confident50 Ų5049.6 Ų49.634%0.33827%0.271SS..EExtended strand (participates in β ladder)trans-117.8139.7-179-173.40000111.3A491 Y492A491-C497 CarbonylContact O-C 3.58Å; A491-C497 WeakPolarHBondContact O-CA 2.62Å; Y492-C497 HydrophobicContact CD1-CB 4Å; Y492-C497 HydrophobicContact CE1-CB 3.65Å
498S80.4Confident82.5Confident7 Ų749.8 Ų49.85%0.04927%0.272CS..PPolyproline II helixtrans-71.3158.8169.878.80000111.4V417 P420 R490 A491V417-S498 WeakPolarHBondContact O-CB 3.33Å; P420-S498 WeakPolarHBondContact CD-OG 3.32Å; R490-S498 WeakPolarHBondContact CA-OG 3.44Å; A491-S498 PolarHBondContact N-OG 3.48Å; A491-S498 PolarHBondContact O-N 3.46Å
499P80.3Confident82.1Confident78 Ų7847.5 Ų47.551%0.50626%0.264SS..PPolyproline II helixtrans-54.3153.6153.5-19.631.7000110.9I419I419-P499 HydrophobicContact CD1-CB 3.86Å; I419-P499 HydrophobicContact CD1-CG 4.02Å; I419-P499 HydrophobicContact CG1-CB 4.01Å; I419-P499 HydrophobicContact CG1-CG 4.05Å
500C83.2Confident81.9Confident45 Ų4548.5 Ų48.530%0.30427%0.271SS..PPolyproline II helixtrans-66.5147.6175.5-50.50000111.5R488R488-C500 HydrophobicContact CB-CB 4.46Å; R488-C500 HydrophobicContact CG-CB 4.28Å
501S87.6Confident81.8Confident9 Ų947 Ų476%0.06327%0.266CS..PPolyproline II helixtrans-57.4167.6169.376.70000112.2P420 I422 R488 V489 E503P420-S501 WeakPolarHBondContact O-CB 3.09Å; I422-S501 VanDerWaalsContact CD1-OG 3.32Å; I422-S501 WeakPolarHBondContact CD1-OG 3.4Å; R488-S501 WeakPolarHBondContact CA-OG 3.41Å; V489-S501 PolarHBondContact N-OG 2.84Å; V489-S501 WeakPolarHBondContact O-CB 3.43Å; V489-S501 PolarHBondContact O-N 2.93Å; S501-E503 PolarHBondContact O-N 3.5Å
502R86.7Confident81.8Confident180 Ų18050.5 Ų50.568%0.67929%0.289SS*.PPolyproline II helixtrans-52.9137.9162.5-171.1171.183.61754.5109.5E424 L504E424-R502 IonicContact OE1-CZ 2.95Å; E424-R502 IonicContact OE1-NE 2.7Å; E424-R502 IonicContact OE1-NH2 3.12Å; E424-R502 PolarHBondContact OE1-NH2 3.47Å; E424-R502 IonicContact OE2-NH2 2.75Å; E424-R502 PolarHBondContact OE2-NH2 3.42Å; R502-L504 PolarHBondContact O-N 3.23Å
503E88.9Confident82.2Confident76 Ų7648.7 Ų48.736%0.35528%0.283SS..PPolyproline II helixtrans-69.1118.1174-66-171.3-158.800109.3R453 W464 F487 R488 S501R453-E503 IonicContact CZ-OE2 2.7Å; R453-E503 IonicContact NH2-OE1 3.88Å; R453-E503 PolarHBondContact NH2-OE1 2.93Å; R453-E503 IonicContact NH2-OE2 2.66Å; R453-E503 PolarHBondContact NH2-OE2 3.34Å; W464-E503 HydrophobicContact CH2-CG 4.07Å; W464-E503 HydrophobicContact CZ2-CG 4.5Å; W464-E503 WeakPolarHBondContact CZ2-OE1 3.2Å; F487-E503 CarbonylContact O-C 3.31Å; F487-E503 WeakPolarHBondContact O-CA 3.49Å; R488-E503 HydrophobicContact CB-CG 4.4Å; S501-E503 PolarHBondContact O-N 3.5Å
504L88.6Confident82.7Confident12 Ų1247.2 Ų47.26%0.06328%0.278CS..EExtended strand (participates in β ladder)trans-89.6120.4168.5175.555.5000108.4I422 E424 A486 F487 R502 L506I422-L504 HydrophobicContact CD1-CB 4.25Å; I422-L504 HydrophobicContact CG2-CB 4.27Å; I422-L504 HydrophobicContact CG2-CD2 3.51Å; E424-L504 HydrophobicContact CB-CD1 4.5Å; E424-L504 HydrophobicContact CG-CD1 3.98Å; E424-L504 HydrophobicContact CG-CD2 4.49Å; A486-L504 WeakPolarHBondContact CA-O 3.3Å; F487-L504 PolarHBondContact N-O 3.42Å; F487-L504 PolarHBondContact O-N 3.12Å; R502-L504 PolarHBondContact O-N 3.23Å; L504-L506 HydrophobicContact CD1-CD2 3.93Å; L504-L506 HydrophobicContact CD1-CG 4.24Å; L504-L506 HydrophobicContact CD2-CD1 3.83Å; L504-L506 HydrophobicContact CD2-CD2 4.31Å; L504-L506 HydrophobicContact CD2-CG 4.23Å; L504-L506 HydrophobicContact CG-CD1 3.98Å; L504-L506 HydrophobicContact CG-CD2 4.08Å; L504-L506 HydrophobicContact CG-CG 3.88Å
505V88.6Confident83.3Confident73 Ų7347.5 Ų47.544%0.44227%0.271SS..EExtended strand (participates in β ladder)trans-103.9120.8178.6-179.40000109.7I455 Y485 A486I455-V505 HydrophobicContact CD1-CG1 3.68Å; I455-V505 HydrophobicContact CD1-CG2 4Å; Y485-V505 WeakPolarHBondContact O-CA 3.43Å; A486-V505 HydrophobicContact CB-CG2 4.33Å
506L86.4Confident84.5Confident34 Ų3442.6 Ų42.618%0.17823%0.234CC..EExtended strand (participates in β ladder)trans-124.5144.9-179.2-58.2167.2000109.7V429 I435 Y485 F487 L504V429-L506 HydrophobicContact CB-CB 4.34Å; V429-L506 HydrophobicContact CG2-CB 3.41Å; V429-L506 VanDerWaalsContact CG2-CB 3.41Å; V429-L506 HydrophobicContact CG2-CD1 3.4Å; V429-L506 VanDerWaalsContact CG2-CD1 3.4Å; V429-L506 HydrophobicContact CG2-CG 3.95Å; I435-L506 HydrophobicContact CD1-CD1 3.73Å; Y485-L506 PolarHBondContact N-O 3.21Å; Y485-L506 PolarHBondContact O-N 3.43Å; F487-L506 HydrophobicContact CD2-CD1 4.11Å; F487-L506 HydrophobicContact CD2-CG 4.47Å; F487-L506 HydrophobicContact CE2-CB 4.2Å; F487-L506 HydrophobicContact CE2-CD1 4.17Å; L504-L506 HydrophobicContact CD1-CD2 3.93Å; L504-L506 HydrophobicContact CD1-CG 4.24Å; L504-L506 HydrophobicContact CD2-CD1 3.83Å; L504-L506 HydrophobicContact CD2-CD2 4.31Å; L504-L506 HydrophobicContact CD2-CG 4.23Å; L504-L506 HydrophobicContact CG-CD1 3.98Å; L504-L506 HydrophobicContact CG-CD2 4.08Å; L504-L506 HydrophobicContact CG-CG 3.88Å
507H87.2Confident85.7Confident36 Ų3643.2 Ų43.217%0.16724%0.237CC..EExtended strand (participates in β ladder)trans-105.2126.9-180-174-132.6000110S483 H484 M686S483-H507 PolarHBondContact O-CD2 3.36Å; H484-H507 AromaticContact CE1-CD2 3.22Å; H484-H507 PolarHBondContact CE1-CD2 2.62Å; H484-H507 AromaticContact CE1-CG 3.8Å; H484-H507 AromaticContact CE1-NE2 3.53Å; H484-H507 AromaticContact CG-CD2 3.82Å; H484-H507 AromaticContact ND1-CD2 3.18Å; H484-H507 PolarHBondContact ND1-CD2 3.16Å; H484-H507 AromaticContact ND1-NE2 3.65Å; H484-H507 AromaticContact NE2-CD2 3.9Å; H507-M686 HydrophobicContact CB-CB 3.95Å; H507-M686 HydrophobicContact CB-CG 4.12Å; H507-M686 VanDerWaalsContact ND1-CB 3.3Å; H507-M686 WeakPolarHBondContact ND1-CB 3.49Å
508T86.6Confident86.3Confident4 Ų440.8 Ų40.83%0.02522%0.221CC..  trans-73.1147.7177.1550000111.1V429 L479 E480 S481 N482 S483 Y485V429-T508 HydrophobicContact CG1-CG2 3.64Å; L479-T508 HydrophobicContact CB-CG2 3.94Å; L479-T508 HydrophobicContact CD1-CG2 4.22Å; E480-T508 WeakPolarHBondContact O-CB 3.45Å; E480-T508 WeakPolarHBondContact O-CG2 3.32Å; E480-T508 PolarHBondContact O-OG1 3.26Å; S481-T508 VanDerWaalsContact C-OG1 3.31Å; N482-T508 PolarHBondContact N-O 3.05Å; N482-T508 PolarHBondContact N-OG1 3.17Å; N482-T508 VanDerWaalsContact N-OG1 3.09Å; S483-T508 PolarHBondContact N-OG1 3.49Å; S483-T508 PolarHBondContact O-N 3.03Å; S483-T508 PolarHBondContact O-OG1 3.49Å; S483-T508 VanDerWaalsContact O-OG1 3.11Å; Y485-T508 HydrophobicContact CD2-CG2 3.87Å; Y485-T508 HydrophobicContact CE2-CG2 4.01Å
509P84.9Confident86.5Confident3 Ų342 Ų422%0.01923%0.227CC..  trans-54.2152.8175.8-29.136.9000114Y430 S481 N482 A511 V513 F576 M686Y430-P509 WeakPolarHBondContact O-CD 2.93Å; S481-P509 WeakPolarHBondContact CB-O 3.32Å; N482-P509 PolarHBondContact N-O 3.34Å; P509-A511 PolarHBondContact O-N 3.43Å; P509-A511 VanDerWaalsContact O-N 3.12Å; P509-V513 HydrophobicContact CB-CG2 4.41Å; P509-V513 HydrophobicContact CG-CG2 4.06Å; P509-F576 HydrophobicContact CB-CB 4.35Å; P509-F576 HydrophobicContact CB-CD1 3.81Å; P509-F576 HydrophobicContact CB-CD2 4.42Å; P509-F576 HydrophobicContact CB-CE1 4.13Å; P509-F576 HydrophobicContact CB-CG 3.95Å; P509-F576 HydrophobicContact CG-CD1 4.15Å; P509-F576 HydrophobicContact CG-CE1 4.18Å; P509-M686 HydrophobicContact CB-CE 4.43Å
510P85.4Confident86.7Confident22 Ų2243.3 Ų43.314%0.14323%0.226CC..SBendtrans-66.1-14.2-177.726.8-36000114.3F576 F670 Y681P510-F576 HydrophobicContact CG-CD2 4Å; P510-F576 HydrophobicContact CG-CE2 4.47Å; P510-F670 HydrophobicContact CB-CD2 4.34Å; P510-F670 HydrophobicContact CB-CE2 4.37Å; P510-F670 HydrophobicContact CB-CG 4.48Å; P510-F670 HydrophobicContact CB-CZ 4.49Å; P510-F670 HydrophobicContact CG-CB 4.19Å; P510-F670 HydrophobicContact CG-CD1 4.29Å; P510-F670 HydrophobicContact CG-CD2 3.79Å; P510-F670 HydrophobicContact CG-CE2 4.3Å; P510-F670 HydrophobicContact CG-CG 3.81Å; P510-Y681 HydrophobicContact CG-CE2 4.2Å
511A86.4Confident86.4Confident4 Ų450.3 Ų50.33%0.03325%0.251CS..SBendtrans-156.2167176.400000110.5P509 K574 F670P509-A511 PolarHBondContact O-N 3.43Å; P509-A511 VanDerWaalsContact O-N 3.12Å; A511-K574 HydrophobicContact CB-CB 3.67Å; A511-F670 HydrophobicContact CB-CD2 4.09Å; A511-F670 HydrophobicContact CB-CE2 3.54Å
512P84.4Confident85.6Confident74 Ų7451.1 Ų51.148%0.48126%0.257SS..PPolyproline II helixtrans-53.7140.5175.7-26.936.2000112.8N431 F514 F576N431-P512 WeakPolarHBondContact OD1-CA 3.38Å; P512-F514 PolarHBondContact O-N 3.04Å; P512-F576 PolarHBondContact O-N 3.09Å
513V85Confident84.6Confident14 Ų1443.9 Ų43.99%0.08524%0.239CC..BIsolated β-bridgetrans-74.3120.9178.6-175.20000110.1Y430 N431 P509 F576Y430-V513 HydrophobicContact CD1-CG2 4.24Å; Y430-V513 HydrophobicContact CG-CG2 4.44Å; N431-V513 PolarHBondContact ND2-O 3.06Å; N431-V513 PolarHBondContact OD1-N 3.03Å; P509-V513 HydrophobicContact CB-CG2 4.41Å; P509-V513 HydrophobicContact CG-CG2 4.06Å; V513-F576 CarbonylContact C-O 3.51Å; V513-F576 WeakPolarHBondContact CA-O 3.41Å; V513-F576 HydrophobicContact CG2-CD1 4Å
514F86.9Confident84Confident31 Ų3142.8 Ų42.814%0.13623%0.232CC..PPolyproline II helixtrans-89.8125.5-178.4176-101.4000110.2P512 F516 V568 I570 H575 F576 W577 P702P512-F514 PolarHBondContact O-N 3.04Å; F514-F516 AromaticContact CD1-CD1 3.65Å; F514-F516 HydrophobicContact CD1-CD1 3.65Å; F514-F516 HydrophobicContact CD1-CE1 4.32Å; F514-F516 HydrophobicContact CE1-CB 4.05Å; F514-F516 AromaticContact CE1-CD1 3.7Å; F514-F516 HydrophobicContact CE1-CD1 3.7Å; F514-F516 HydrophobicContact CE1-CG 4.2Å; F514-V568 HydrophobicContact CE1-CB 4.46Å; F514-V568 HydrophobicContact CE2-CG1 4Å; F514-V568 HydrophobicContact CZ-CB 3.74Å; F514-V568 HydrophobicContact CZ-CG1 3.63Å; F514-I570 HydrophobicContact CD1-CD1 3.84Å; F514-I570 HydrophobicContact CD1-CG1 4.17Å; F514-I570 HydrophobicContact CD2-CD1 4.45Å; F514-I570 HydrophobicContact CD2-CG1 4.17Å; F514-I570 HydrophobicContact CE1-CD1 3.79Å; F514-I570 HydrophobicContact CE1-CG1 3.73Å; F514-I570 HydrophobicContact CE2-CD1 4.41Å; F514-I570 HydrophobicContact CE2-CG1 3.73Å; F514-I570 HydrophobicContact CG-CD1 4.17Å; F514-I570 HydrophobicContact CG-CG1 4.37Å; F514-I570 HydrophobicContact CZ-CD1 4.08Å; F514-I570 HydrophobicContact CZ-CG1 3.48Å; F514-I570 VanDerWaalsContact CZ-CG1 3.48Å; F514-H575 HydrophobicContact CB-CB 3.92Å; F514-H575 AromaticContact CD2-ND1 3.55Å; F514-H575 HydrophobicContact CG-CB 4.36Å; F514-F576 PolarHBondContact N-O 2.99Å; F514-W577 HydrophobicContact CD1-CE3 4.33Å; F514-P702 HydrophobicContact CD1-CG 4.39Å; F514-P702 HydrophobicContact CE1-CG 3.97Å
515S85.9Confident83.5Confident69 Ų6945.6 Ų45.648%0.48325%0.247SC..PPolyproline II helixtrans-103.1131.2-175.4-47.30000110.7
516F89.1Confident82.9Confident20 Ų2046.5 Ų46.59%0.08825%0.249CC..  trans-153167.9175.564.5-84.6000109.1F514 G566 V568 W577 P702 F704 L714F514-F516 AromaticContact CD1-CD1 3.65Å; F514-F516 HydrophobicContact CD1-CD1 3.65Å; F514-F516 HydrophobicContact CD1-CE1 4.32Å; F514-F516 HydrophobicContact CE1-CB 4.05Å; F514-F516 AromaticContact CE1-CD1 3.7Å; F514-F516 HydrophobicContact CE1-CD1 3.7Å; F514-F516 HydrophobicContact CE1-CG 4.2Å; F516-G566 VanDerWaalsContact CD2-CA 3.44Å; F516-V568 HydrophobicContact CB-CB 4.19Å; F516-V568 HydrophobicContact CB-CG2 4.3Å; F516-W577 HydrophobicContact CE1-CB 3.86Å; F516-W577 AromaticContact CE1-CD1 3.66Å; F516-W577 HydrophobicContact CE1-CD2 4.16Å; F516-W577 AromaticContact CE1-CG 3.62Å; F516-W577 HydrophobicContact CE1-CG 3.62Å; F516-W577 AromaticContact CZ-CD1 3.78Å; F516-W577 HydrophobicContact CZ-CG 4.22Å; F516-P702 HydrophobicContact CD1-CB 4.33Å; F516-P702 HydrophobicContact CD1-CG 3.74Å; F516-P702 HydrophobicContact CD2-CB 4.28Å; F516-P702 HydrophobicContact CD2-CG 4.26Å; F516-P702 HydrophobicContact CE1-CB 3.78Å; F516-P702 HydrophobicContact CE1-CG 3.59Å; F516-P702 HydrophobicContact CE2-CB 3.73Å; F516-P702 HydrophobicContact CE2-CG 4.13Å; F516-P702 HydrophobicContact CG-CG 4.07Å; F516-P702 HydrophobicContact CZ-CB 3.44Å; F516-P702 VanDerWaalsContact CZ-CB 3.44Å; F516-P702 HydrophobicContact CZ-CG 3.8Å; F516-F704 AromaticContact CE2-CE2 3.85Å; F516-F704 HydrophobicContact CE2-CE2 3.85Å; F516-F704 HydrophobicContact CE2-CZ 4.22Å; F516-F704 AromaticContact CZ-CE2 3.97Å; F516-F704 HydrophobicContact CZ-CE2 3.97Å; F516-F704 AromaticContact CZ-CZ 3.91Å; F516-F704 HydrophobicContact CZ-CZ 3.91Å; F516-L714 HydrophobicContact CD2-CD1 4.02Å; F516-L714 HydrophobicContact CE2-CD1 3.63Å; F516-L714 HydrophobicContact CE2-CD2 3.81Å; F516-L714 HydrophobicContact CE2-CG 4.4Å; F516-L714 HydrophobicContact CZ-CD1 4.13Å; F516-L714 HydrophobicContact CZ-CD2 3.67Å
517L90.3Very high82.3Confident66 Ų6652.2 Ų52.235%0.34628%0.275SS..  trans-120.6161.4171.2-62.1175.1000109.6D519 R535 G566 D567L517-D519 PolarHBondContact O-N 3.24Å; L517-R535 HydrophobicContact CB-CB 3.93Å; L517-R535 HydrophobicContact CD1-CB 4.33Å; L517-G566 CarbonylContact O-C 3.48Å; L517-G566 WeakPolarHBondContact O-CA 3.39Å; L517-D567 PolarHBondContact N-OD1 2.94Å; L517-D567 VanDerWaalsContact O-CG 3.3Å; L517-D567 PolarHBondContact O-N 3.22Å
518F88.9Confident81.8Confident0 Ų054 Ų540%028%0.283CS..BIsolated β-bridgetrans-66128.6175.3-69.7-64.5000111.1E520 L531 R535 D536 V538 I564 F704 I712 L714F518-E520 PolarHBondContact O-N 2.83Å; F518-L531 HydrophobicContact CB-CD1 3.5Å; F518-L531 HydrophobicContact CB-CD2 4.42Å; F518-L531 HydrophobicContact CD2-CD1 3.84Å; F518-L531 HydrophobicContact CG-CD1 3.98Å; F518-R535 WeakPolarHBondContact CD2-O 3.46Å; F518-R535 PolarHBondContact N-O 2.84Å; F518-R535 VanDerWaalsContact O-CZ 3.25Å; F518-R535 PolarHBondContact O-NE 3.02Å; F518-R535 PolarHBondContact O-NH2 2.85Å; F518-D536 WeakPolarHBondContact CE2-O 3.39Å; F518-V538 HydrophobicContact CD1-CG1 4.21Å; F518-V538 HydrophobicContact CD2-CB 4.04Å; F518-V538 HydrophobicContact CD2-CG1 4.1Å; F518-V538 HydrophobicContact CE1-CG1 3.78Å; F518-V538 HydrophobicContact CE2-CB 4.01Å; F518-V538 HydrophobicContact CE2-CG1 3.66Å; F518-V538 HydrophobicContact CG-CB 4.38Å; F518-V538 HydrophobicContact CG-CG1 4.37Å; F518-V538 HydrophobicContact CZ-CB 4.32Å; F518-V538 HydrophobicContact CZ-CG1 3.49Å; F518-V538 VanDerWaalsContact CZ-CG1 3.49Å; F518-I564 HydrophobicContact CB-CD1 3.81Å; F518-I564 HydrophobicContact CB-CG1 4.33Å; F518-I564 HydrophobicContact CD1-CD1 4.26Å; F518-I564 HydrophobicContact CD1-CG1 4.27Å; F518-I564 HydrophobicContact CD1-CG2 4Å; F518-I564 HydrophobicContact CE1-CG2 4.22Å; F518-I564 HydrophobicContact CG-CD1 4.26Å; F518-F704 HydrophobicContact CD1-CD2 4.24Å; F518-F704 HydrophobicContact CD1-CE2 4.49Å; F518-F704 AromaticContact CE1-CD2 3.56Å; F518-F704 HydrophobicContact CE1-CD2 3.56Å; F518-F704 AromaticContact CE1-CE2 3.78Å; F518-F704 HydrophobicContact CE1-CE2 3.78Å; F518-F704 AromaticContact CE1-CG 3.96Å; F518-F704 HydrophobicContact CE1-CG 3.96Å; F518-F704 HydrophobicContact CE1-CZ 4.34Å; F518-I712 HydrophobicContact CZ-CB 4.31Å; F518-I712 HydrophobicContact CZ-CG2 4.03Å; F518-L714 HydrophobicContact CD2-CD1 4.2Å; F518-L714 HydrophobicContact CD2-CG 4.39Å; F518-L714 HydrophobicContact CE1-CD2 4.27Å; F518-L714 HydrophobicContact CE2-CD1 3.99Å; F518-L714 HydrophobicContact CE2-CD2 4.24Å; F518-L714 HydrophobicContact CE2-CG 3.7Å; F518-L714 HydrophobicContact CZ-CD1 4.21Å; F518-L714 HydrophobicContact CZ-CD2 3.76Å; F518-L714 HydrophobicContact CZ-CG 3.75Å
519D85.7Confident81.7Confident31 Ų3153.9 Ų53.917%0.16628%0.282CS..  trans-73.9123.2-177.9-168.1-6.6000111.9L517 K521 C522 Y524 I565 D567L517-D519 PolarHBondContact O-N 3.24Å; D519-K521 VanDerWaalsContact C-N 3.26Å; D519-K521 PolarHBondContact O-N 3.41Å; D519-K521 WeakPolarHBondContact OD1-CB 3.32Å; D519-K521 PolarHBondContact OD1-N 3.24Å; D519-C522 HydrophobicContact CB-CB 4.17Å; D519-C522 WeakPolarHBondContact OD2-CB 3.23Å; D519-Y524 WeakPolarHBondContact O-CB 3.47Å; D519-I565 HydrophobicContact CB-CG1 4.27Å; D519-I565 PolarHBondContact N-O 3.32Å; D519-D567 HydrophobicContact CB-CB 4.03Å
520E83.3Confident81.9Confident106 Ų10657.7 Ų57.750%0.49530%0.302SS..THydrogen-bonded Turntrans-74.3-14.9175.4-69.2175.5163.700113.3F518 Y524 L531 R535F518-E520 PolarHBondContact O-N 2.83Å; E520-Y524 WeakPolarHBondContact O-CD1 3.48Å; E520-L531 HydrophobicContact CG-CD2 3.64Å; E520-R535 HydrophobicContact CG-CG 4.43Å; E520-R535 WeakPolarHBondContact OE1-CD 3.5Å; E520-R535 IonicContact OE1-NE 2.9Å
521K77.1Confident82Confident192 Ų19257.8 Ų57.884%0.83530%0.301SS*.THydrogen-bonded Turntrans-104.6-18.6-173.8-60.7174.4-175.5169.50113.4D519D519-K521 VanDerWaalsContact C-N 3.26Å; D519-K521 PolarHBondContact O-N 3.41Å; D519-K521 WeakPolarHBondContact OD1-CB 3.32Å; D519-K521 PolarHBondContact OD1-N 3.24Å
522C71.8Confident82Confident26 Ų2660.8 Ų60.818%0.17632%0.317CS..THydrogen-bonded Turntrans-127.4109.9-169.8-159.50000111D519 Y524 I565 L602D519-C522 HydrophobicContact CB-CB 4.17Å; D519-C522 WeakPolarHBondContact OD2-CB 3.23Å; C522-Y524 PolarHBondContact O-N 3.36Å; C522-Y524 VanDerWaalsContact O-N 3.15Å; C522-I565 HydrophobicContact CB-CD1 3.81Å; C522-I565 HydrophobicContact CB-CG1 3.88Å; C522-I565 WeakPolarHBondContact SG-CD1 3.31Å; C522-L602 WeakPolarHBondContact SG-CD1 3.32Å
523G66.1Low82Confident29 Ų2965.6 Ų65.630%0.29934%0.338SS..THydrogen-bonded Turntrans81-35-174.900000114.6N525 Y563G523-N525 PolarHBondContact O-N 2.75Å; G523-Y563 CarbonylContact C-O 2.96Å; G523-Y563 WeakPolarHBondContact CA-O 3.37Å
524Y76.6Confident82Confident53 Ų5369.9 Ų69.921%0.20836%0.355CS..  trans-58.2125.5179.3179.6-112.8000113.3D519 E520 C522 N526 L529 L531 I564D519-Y524 WeakPolarHBondContact O-CB 3.47Å; E520-Y524 WeakPolarHBondContact O-CD1 3.48Å; C522-Y524 PolarHBondContact O-N 3.36Å; C522-Y524 VanDerWaalsContact O-N 3.15Å; Y524-N526 HydrophobicContact CE1-CB 3.92Å; Y524-N526 PolarHBondContact OH-OD1 2.99Å; Y524-L529 HydrophobicContact CD2-CB 3.9Å; Y524-L529 HydrophobicContact CD2-CD1 4.34Å; Y524-L529 HydrophobicContact CE2-CB 3.81Å; Y524-L531 HydrophobicContact CD2-CB 4.41Å; Y524-L531 HydrophobicContact CE2-CB 3.77Å; Y524-I564 HydrophobicContact CD2-CD1 4.04Å; Y524-I564 HydrophobicContact CG-CD1 4.48Å
525N76.2Confident82Confident71 Ų7170.8 Ų70.838%0.3836%0.357SS..  trans-126115.5169.9-176.7-20.1000109.5G523 E527 H528 L529G523-N525 PolarHBondContact O-N 2.75Å; N525-E527 PolarHBondContact O-N 3.14Å; N525-E527 VanDerWaalsContact O-N 3.15Å; N525-E527 WeakPolarHBondContact OD1-CB 3.35Å; N525-E527 PolarHBondContact OD1-N 3.13Å; N525-H528 PolarHBondContact ND2-CD2 3.49Å; N525-H528 PolarHBondContact O-N 3.21Å; N525-H528 VanDerWaalsContact O-N 3.11Å; N525-L529 PolarHBondContact O-N 3.07Å
526N77.4Confident82Confident92 Ų9268.1 Ų68.149%0.49234%0.338SS..THydrogen-bonded Turntrans-68.6-7.5-177.3-166.525.4000114.3Y524 R541Y524-N526 HydrophobicContact CE1-CB 3.92Å; Y524-N526 PolarHBondContact OH-OD1 2.99Å; N526-R541 WeakPolarHBondContact O-CD 3.2Å; N526-R541 PolarHBondContact O-NE 3.3Å; N526-R541 PolarHBondContact O-NH2 3.39Å; N526-R541 VanDerWaalsContact O-NH2 3.15Å; N526-R541 PolarHBondContact OD1-NH2 3.37Å
527E73.6Confident82.1Confident154 Ų15470.3 Ų70.372%0.7235%0.346SS*.THydrogen-bonded Turntrans-83-31.3171.3-60.7-170.3157.600111.8N525 R541N525-E527 PolarHBondContact O-N 3.14Å; N525-E527 VanDerWaalsContact O-N 3.15Å; N525-E527 WeakPolarHBondContact OD1-CB 3.35Å; N525-E527 PolarHBondContact OD1-N 3.13Å; E527-R541 WeakPolarHBondContact O-CD 3.48Å
528H76.8Confident82Confident73 Ų7367.1 Ų67.134%0.33833%0.329SS..THydrogen-bonded Turntrans-109.7-27-174.3-64.5-88000114.1N525 S540 R541 D562N525-H528 PolarHBondContact ND2-CD2 3.49Å; N525-H528 PolarHBondContact O-N 3.21Å; N525-H528 VanDerWaalsContact O-N 3.11Å; H528-S540 CarbonylContact O-C 3.55Å; H528-S540 WeakPolarHBondContact O-CA 3.45Å; H528-S540 PolarHBondContact O-OG 3.47Å; H528-R541 WeakPolarHBondContact O-CB 3.41Å; H528-R541 PolarHBondContact O-N 3.44Å; H528-D562 WeakPolarHBondContact CB-OD1 3.4Å; H528-D562 IonicContact CG-OD1 3.73Å; H528-D562 IonicContact ND1-OD1 3.95Å
529L84.9Confident82Confident1 Ų169.5 Ų69.51%0.00534%0.34CS..EExtended strand (participates in β ladder)trans-117147.2180-62.8179.9000111.4Y524 N525 V538 E539 R541 D562 I564 L706Y524-L529 HydrophobicContact CD2-CB 3.9Å; Y524-L529 HydrophobicContact CD2-CD1 4.34Å; Y524-L529 HydrophobicContact CE2-CB 3.81Å; N525-L529 PolarHBondContact O-N 3.07Å; L529-V538 HydrophobicContact CB-CG2 4.22Å; L529-V538 HydrophobicContact CD1-CG2 4.22Å; L529-V538 HydrophobicContact CD2-CG2 4.24Å; L529-V538 HydrophobicContact CG-CG2 4.47Å; L529-E539 CarbonylContact C-O 3.54Å; L529-E539 WeakPolarHBondContact CA-O 3.27Å; L529-R541 WeakPolarHBondContact O-CD 3.4Å; L529-R541 PolarHBondContact O-NE 3.2Å; L529-D562 HydrophobicContact CD1-CB 4.23Å; L529-D562 HydrophobicContact CD2-CB 3.66Å; L529-D562 HydrophobicContact CG-CB 3.95Å; L529-I564 HydrophobicContact CD1-CB 4.12Å; L529-I564 HydrophobicContact CD1-CD1 4.31Å; L529-L706 HydrophobicContact CD2-CB 4.46Å; L529-L706 HydrophobicContact CD2-CD1 3.97Å
530L87.5Confident82Confident83 Ų8368.7 Ų68.744%0.43534%0.337SS..EExtended strand (participates in β ladder)trans-114.5120.4170.8-176.772.5000107.6V538 E539 R541L530-V538 WeakPolarHBondContact O-CA 3.26Å; L530-E539 PolarHBondContact N-O 3.5Å; L530-E539 PolarHBondContact O-N 2.83Å; L530-R541 HydrophobicContact CB-CG 4.16Å
531L88.1Confident81.8Confident24 Ų2469.5 Ų69.513%0.12634%0.335CS..EExtended strand (participates in β ladder)trans-107.4134.8176.2-164.770.5000109.9F518 E520 Y524 R535 R537 V538 I564F518-L531 HydrophobicContact CB-CD1 3.5Å; F518-L531 HydrophobicContact CB-CD2 4.42Å; F518-L531 HydrophobicContact CD2-CD1 3.84Å; F518-L531 HydrophobicContact CG-CD1 3.98Å; E520-L531 HydrophobicContact CG-CD2 3.64Å; Y524-L531 HydrophobicContact CD2-CB 4.41Å; Y524-L531 HydrophobicContact CE2-CB 3.77Å; L531-R535 HydrophobicContact CD2-CB 4.06Å; L531-R535 HydrophobicContact CD2-CG 3.73Å; L531-R535 HydrophobicContact CG-CB 4.47Å; L531-R535 HydrophobicContact CG-CG 4.4Å; L531-R537 VanDerWaalsContact CD1-O 3.31Å; L531-R537 WeakPolarHBondContact CD1-O 3.19Å; L531-V538 HydrophobicContact CD1-CB 3.93Å; L531-V538 HydrophobicContact CD1-CG2 4.27Å; L531-I564 HydrophobicContact CD1-CD1 4.32Å
532N87.4Confident81.4Confident68 Ų6861.3 Ų61.336%0.36430%0.304SS..  trans-70.4156.8176.1-176.728.8000111.4K534 R535 D536 R537N532-K534 PolarHBondContact O-N 3.49Å; N532-K534 VanDerWaalsContact O-N 3.14Å; N532-R535 WeakPolarHBondContact O-CA 3.19Å; N532-R535 PolarHBondContact O-N 3.46Å; N532-D536 PolarHBondContact ND2-OD1 3.48Å; N532-R537 HydrophobicContact CB-CB 3.84Å; N532-R537 PolarHBondContact N-O 3.12Å
533L84.1Confident81Confident175 Ų17561.6 Ų61.692%0.91631%0.311SS*.THydrogen-bonded Turntrans-57.6-29.3179.8-65.6174.6000113.7R535L533-R535 VanDerWaalsContact C-N 3.33Å
534K83.4Confident80.8Confident104 Ų10465.9 Ų65.945%0.45232%0.322SS..THydrogen-bonded Turntrans-78.3-11.4174.3-85.4-172.4166.5-160.50113.8N532 D536 E716N532-K534 PolarHBondContact O-N 3.49Å; N532-K534 VanDerWaalsContact O-N 3.14Å; K534-D536 HydrophobicContact CB-CB 4.15Å; K534-D536 VanDerWaalsContact CB-OD1 3.22Å; K534-D536 WeakPolarHBondContact CB-OD1 3.21Å; K534-D536 PolarHBondContact O-N 3.1Å; K534-E716 IonicContact NZ-OE1 2.83Å; K534-E716 PolarHBondContact NZ-OE1 3.4Å
535R88Confident79.9Confident49 Ų4969.6 Ų69.619%0.18535%0.345CS..SBendtrans57.222.5-172.4-56.7172.850.8-142.7-18.6114.9L517 F518 E520 L531 N532 L533 D567L517-R535 HydrophobicContact CB-CB 3.93Å; L517-R535 HydrophobicContact CD1-CB 4.33Å; F518-R535 WeakPolarHBondContact CD2-O 3.46Å; F518-R535 PolarHBondContact N-O 2.84Å; F518-R535 VanDerWaalsContact O-CZ 3.25Å; F518-R535 PolarHBondContact O-NE 3.02Å; F518-R535 PolarHBondContact O-NH2 2.85Å; E520-R535 HydrophobicContact CG-CG 4.43Å; E520-R535 WeakPolarHBondContact OE1-CD 3.5Å; E520-R535 IonicContact OE1-NE 2.9Å; L531-R535 HydrophobicContact CD2-CB 4.06Å; L531-R535 HydrophobicContact CD2-CG 3.73Å; L531-R535 HydrophobicContact CG-CB 4.47Å; L531-R535 HydrophobicContact CG-CG 4.4Å; N532-R535 WeakPolarHBondContact O-CA 3.19Å; N532-R535 PolarHBondContact O-N 3.46Å; L533-R535 VanDerWaalsContact C-N 3.33Å; R535-D567 IonicContact CZ-OD2 3.97Å; R535-D567 IonicContact NH1-OD2 2.73Å; R535-D567 PolarHBondContact NH1-OD2 2.98Å; R535-D567 VanDerWaalsContact NH2-CG 3.3Å; R535-D567 IonicContact NH2-OD2 3.48Å; R535-D567 PolarHBondContact NH2-OD2 3.17Å
536D86.8Confident79.2Confident14 Ų1470.2 Ų70.28%0.07535%0.351CS..SBendtrans-96.3-18-179.565.5-30.8000113.5F518 N532 K534 Q713 L714F518-D536 WeakPolarHBondContact CE2-O 3.39Å; N532-D536 PolarHBondContact ND2-OD1 3.48Å; K534-D536 HydrophobicContact CB-CB 4.15Å; K534-D536 VanDerWaalsContact CB-OD1 3.22Å; K534-D536 WeakPolarHBondContact CB-OD1 3.21Å; K534-D536 PolarHBondContact O-N 3.1Å; D536-Q713 PolarHBondContact O-NE2 3.38Å; D536-Q713 PolarHBondContact OD2-NE2 3Å; D536-L714 PolarHBondContact O-N 2.85Å
537R89.5Confident78.5Confident65 Ų6567 Ų6725%0.24533%0.334CS..EExtended strand (participates in β ladder)trans-130.3133.9-176.4-171.2-171.9-179.497.30.3110.4L531 N532 E539 E582 I712L531-R537 VanDerWaalsContact CD1-O 3.31Å; L531-R537 WeakPolarHBondContact CD1-O 3.19Å; N532-R537 HydrophobicContact CB-CB 3.84Å; N532-R537 PolarHBondContact N-O 3.12Å; R537-E539 IonicContact CZ-OE1 3.25Å; R537-E539 IonicContact NE-OE1 2.67Å; R537-E539 PolarHBondContact NE-OE1 3.04Å; R537-E539 IonicContact NH2-OE1 3.14Å; R537-E539 PolarHBondContact NH2-OE1 3.14Å; R537-E582 IonicContact CZ-OE1 3.39Å; R537-E582 IonicContact NH1-OE1 2.67Å; R537-E582 PolarHBondContact NH1-OE1 3.05Å; R537-E582 IonicContact NH2-OE1 3.16Å; R537-E582 PolarHBondContact NH2-OE1 2.9Å; R537-I712 WeakPolarHBondContact CA-O 3.31Å
538V89.9Confident78Confident0 Ų061.8 Ų61.80%031%0.311CS..EExtended strand (participates in β ladder)trans-128.7133.5172.666.20000110.2F518 L529 L530 L531 I564 L706 G711 I712F518-V538 HydrophobicContact CD1-CG1 4.21Å; F518-V538 HydrophobicContact CD2-CB 4.04Å; F518-V538 HydrophobicContact CD2-CG1 4.1Å; F518-V538 HydrophobicContact CE1-CG1 3.78Å; F518-V538 HydrophobicContact CE2-CB 4.01Å; F518-V538 HydrophobicContact CE2-CG1 3.66Å; F518-V538 HydrophobicContact CG-CB 4.38Å; F518-V538 HydrophobicContact CG-CG1 4.37Å; F518-V538 HydrophobicContact CZ-CB 4.32Å; F518-V538 HydrophobicContact CZ-CG1 3.49Å; F518-V538 VanDerWaalsContact CZ-CG1 3.49Å; L529-V538 HydrophobicContact CB-CG2 4.22Å; L529-V538 HydrophobicContact CD1-CG2 4.22Å; L529-V538 HydrophobicContact CD2-CG2 4.24Å; L529-V538 HydrophobicContact CG-CG2 4.47Å; L530-V538 WeakPolarHBondContact O-CA 3.26Å; L531-V538 HydrophobicContact CD1-CB 3.93Å; L531-V538 HydrophobicContact CD1-CG2 4.27Å; V538-I564 HydrophobicContact CG1-CG2 4.17Å; V538-I564 HydrophobicContact CG2-CD1 4.05Å; V538-I564 HydrophobicContact CG2-CG2 4.41Å; V538-L706 HydrophobicContact CG1-CD1 4.13Å; V538-L706 HydrophobicContact CG1-CD2 4.44Å; V538-L706 HydrophobicContact CG2-CD1 4.42Å; V538-G711 WeakPolarHBondContact O-CA 3.48Å; V538-I712 HydrophobicContact CG1-CB 4Å; V538-I712 HydrophobicContact CG1-CD1 4.35Å; V538-I712 HydrophobicContact CG1-CG1 4.48Å; V538-I712 PolarHBondContact N-O 2.81Å; V538-I712 PolarHBondContact O-N 2.74Å
539E88.6Confident77Confident49 Ų4960.6 Ų60.623%0.22931%0.313CS..EExtended strand (participates in β ladder)trans-126.7149.4175.2-64.4-179169.700109.4L529 L530 R537 Y584 G710L529-E539 CarbonylContact C-O 3.54Å; L529-E539 WeakPolarHBondContact CA-O 3.27Å; L530-E539 PolarHBondContact N-O 3.5Å; L530-E539 PolarHBondContact O-N 2.83Å; R537-E539 IonicContact CZ-OE1 3.25Å; R537-E539 IonicContact NE-OE1 2.67Å; R537-E539 PolarHBondContact NE-OE1 3.04Å; R537-E539 IonicContact NH2-OE1 3.14Å; R537-E539 PolarHBondContact NH2-OE1 3.14Å; E539-Y584 PolarHBondContact OE1-OH 3.41Å; E539-G710 WeakPolarHBondContact CA-O 3.44Å
540S85.8Confident75.7Confident14 Ų1461.4 Ų61.410%0.09832%0.321CS..EExtended strand (participates in β ladder)trans-83.2136.6168.3-177.90000110.6H528 A542 G708 G710H528-S540 CarbonylContact O-C 3.55Å; H528-S540 WeakPolarHBondContact O-CA 3.45Å; H528-S540 PolarHBondContact O-OG 3.47Å; S540-A542 PolarHBondContact O-N 3.05Å; S540-A542 WeakPolarHBondContact OG-CB 3.49Å; S540-A542 PolarHBondContact OG-N 3.09Å; S540-G708 WeakPolarHBondContact CB-O 3.33Å; S540-G708 PolarHBondContact OG-O 3.22Å; S540-G710 PolarHBondContact N-O 3.3Å
541R78.9Confident74Confident123 Ų12364.9 Ų64.946%0.46434%0.335SS..SBendtrans-70.6-15172-66.1168.7170.4-110.89.1112N526 E527 H528 L529 L530 G543N526-R541 WeakPolarHBondContact O-CD 3.2Å; N526-R541 PolarHBondContact O-NE 3.3Å; N526-R541 PolarHBondContact O-NH2 3.39Å; N526-R541 VanDerWaalsContact O-NH2 3.15Å; N526-R541 PolarHBondContact OD1-NH2 3.37Å; E527-R541 WeakPolarHBondContact O-CD 3.48Å; H528-R541 WeakPolarHBondContact O-CB 3.41Å; H528-R541 PolarHBondContact O-N 3.44Å; L529-R541 WeakPolarHBondContact O-CD 3.4Å; L529-R541 PolarHBondContact O-NE 3.2Å; L530-R541 HydrophobicContact CB-CG 4.16Å; R541-G543 VanDerWaalsContact C-N 3.33Å; R541-G543 PolarHBondContact O-N 2.66Å
542A68.7Low72.2Confident21 Ų2173.3 Ų73.317%0.17437%0.365CS..  trans-73.881.917600000111.2S540 G708 S709S540-A542 PolarHBondContact O-N 3.05Å; S540-A542 WeakPolarHBondContact OG-CB 3.49Å; S540-A542 PolarHBondContact OG-N 3.09Å; A542-G708 CarbonylContact O-C 3.56Å; A542-G708 WeakPolarHBondContact O-CA 3.31Å; A542-S709 WeakPolarHBondContact O-CA 3.24Å; A542-S709 PolarHBondContact O-N 2.7Å
543G63.8Low70.3Confident32 Ų3274.1 Ų74.133%0.3337%0.368SS..  trans-59.3161.6175.900000113.4R541 N545 V546R541-G543 VanDerWaalsContact C-N 3.33Å; R541-G543 PolarHBondContact O-N 2.66Å; G543-N545 PolarHBondContact O-N 3.31Å; G543-V546 WeakPolarHBondContact O-CB 3.25Å; G543-V546 PolarHBondContact O-N 3.12Å
544F59.9Low68.4Low118 Ų11875.7 Ų75.752%0.51837%0.371SS..Hα-helixtrans-52.5-31.8-177.6-173.5-111.9000114V546 L547 L548F544-V546 VanDerWaalsContact C-N 3.29Å; F544-V546 PolarHBondContact O-N 3.28Å; F544-L547 HydrophobicContact CD2-CD1 4.47Å; F544-L547 PolarHBondContact O-N 3.45Å; F544-L548 HydrophobicContact CD1-CD1 3.76Å; F544-L548 HydrophobicContact CD1-CG 4.28Å; F544-L548 HydrophobicContact CE1-CD1 3.48Å; F544-L548 VanDerWaalsContact CE1-CD1 3.48Å; F544-L548 HydrophobicContact CE1-CD2 4.43Å; F544-L548 HydrophobicContact CE1-CG 4.03Å; F544-L548 HydrophobicContact CZ-CD1 4.16Å; F544-L548 HydrophobicContact CZ-CD2 4.3Å; F544-L548 HydrophobicContact CZ-CG 4.26Å; F544-L548 WeakPolarHBondContact O-CG 3.45Å; F544-L548 PolarHBondContact O-N 3.06Å; F544-L548 VanDerWaalsContact O-N 3.08Å
545N58.1Low66.3Low131 Ų13175.9 Ų75.970%0.70138%0.38SS*.Hα-helixtrans-64.5-28.6175-66.2-31.7000113.8G543 A549G543-N545 PolarHBondContact O-N 3.31Å; N545-A549 WeakPolarHBondContact O-CB 3.23Å; N545-A549 PolarHBondContact O-N 3.4Å
546V62.8Low64Low84 Ų8476.4 Ų76.451%0.50940%0.401SS..Hα-helixtrans-75.4-41177.9-175.70000110.5G543 F544 A549 A550G543-V546 WeakPolarHBondContact O-CB 3.25Å; G543-V546 PolarHBondContact O-N 3.12Å; F544-V546 VanDerWaalsContact C-N 3.29Å; F544-V546 PolarHBondContact O-N 3.28Å; V546-A549 PolarHBondContact O-N 3.29Å; V546-A550 PolarHBondContact O-N 3.31Å
547L62.4Low61.8Low24 Ų2483.9 Ų83.913%0.12643%0.429CS..Hα-helixtrans-57.1-51.1169.9-76.4175.1000111.5F544 A549 A550 E551 T559 Y586F544-L547 HydrophobicContact CD2-CD1 4.47Å; F544-L547 PolarHBondContact O-N 3.45Å; L547-A549 PolarHBondContact O-N 3.43Å; L547-A550 PolarHBondContact O-N 2.91Å; L547-A550 VanDerWaalsContact O-N 3.16Å; L547-E551 PolarHBondContact O-N 3.29Å; L547-T559 HydrophobicContact CD2-CG2 3.98Å; L547-Y586 HydrophobicContact CD1-CD1 3.64Å; L547-Y586 HydrophobicContact CD1-CD2 4.03Å; L547-Y586 HydrophobicContact CD1-CE1 4.2Å; L547-Y586 HydrophobicContact CD1-CG 3.54Å; L547-Y586 HydrophobicContact CD2-CD1 4.38Å; L547-Y586 HydrophobicContact CD2-CE1 4.45Å
548L61.7Low59.9Low46 Ų4688.3 Ų88.324%0.24145%0.447CS..Hα-helixtrans-63.9-26.1179.2-71.6178.2000113.4F544 R552F544-L548 HydrophobicContact CD1-CD1 3.76Å; F544-L548 HydrophobicContact CD1-CG 4.28Å; F544-L548 HydrophobicContact CE1-CD1 3.48Å; F544-L548 VanDerWaalsContact CE1-CD1 3.48Å; F544-L548 HydrophobicContact CE1-CD2 4.43Å; F544-L548 HydrophobicContact CE1-CG 4.03Å; F544-L548 HydrophobicContact CZ-CD1 4.16Å; F544-L548 HydrophobicContact CZ-CD2 4.3Å; F544-L548 HydrophobicContact CZ-CG 4.26Å; F544-L548 WeakPolarHBondContact O-CG 3.45Å; F544-L548 PolarHBondContact O-N 3.06Å; F544-L548 VanDerWaalsContact O-N 3.08Å; L548-R552 WeakPolarHBondContact O-CD 3.37Å; L548-R552 VanDerWaalsContact O-CG 3.26Å; L548-R552 WeakPolarHBondContact O-CG 3.41Å
549A57.5Low58.2Low47 Ų4791.9 Ų91.939%0.38847%0.469SS..Hα-helixtrans-73.6-42.2173.700000111.4N545 V546 L547 E551 R552 I553N545-A549 WeakPolarHBondContact O-CB 3.23Å; N545-A549 PolarHBondContact O-N 3.4Å; V546-A549 PolarHBondContact O-N 3.29Å; L547-A549 PolarHBondContact O-N 3.43Å; A549-E551 VanDerWaalsContact C-N 3.35Å; A549-E551 PolarHBondContact O-N 3.48Å; A549-R552 PolarHBondContact O-N 3.45Å; A549-I553 WeakPolarHBondContact O-CG1 3.29Å
550A57.7Low57Low19 Ų1992.3 Ų92.316%0.15748%0.477CS..Hα-helixtrans-62.2-40.117500000112.2V546 L547 R552 T559V546-A550 PolarHBondContact O-N 3.31Å; L547-A550 PolarHBondContact O-N 2.91Å; L547-A550 VanDerWaalsContact O-N 3.16Å; A550-R552 VanDerWaalsContact C-N 3.28Å; A550-R552 PolarHBondContact O-N 2.79Å; A550-T559 HydrophobicContact CB-CG2 4.18Å
551E52Low56.4Low156 Ų15693.5 Ų93.573%0.72948%0.482SS*.Hα-helixtrans-66.4-25.6179-168.2178-148.400113.7L547 A549L547-E551 PolarHBondContact O-N 3.29Å; A549-E551 VanDerWaalsContact C-N 3.35Å; A549-E551 PolarHBondContact O-N 3.48Å
552R50.1Low56.5Low201 Ų20188.6 Ų88.676%0.75847%0.465SS*.Hα-helixtrans-91.4-10.8-176.5-72.3175.6-174.2-1682.9114.7L548 A549 A550L548-R552 WeakPolarHBondContact O-CD 3.37Å; L548-R552 VanDerWaalsContact O-CG 3.26Å; L548-R552 WeakPolarHBondContact O-CG 3.41Å; A549-R552 PolarHBondContact O-N 3.45Å; A550-R552 VanDerWaalsContact C-N 3.28Å; A550-R552 PolarHBondContact O-N 2.79Å
553I47Very low57.1Low84 Ų8489.2 Ų89.243%0.43146%0.463SS..  trans-102.3113.1-175.6-64.1171000108.5A549 V555A549-I553 WeakPolarHBondContact O-CG1 3.29Å; I553-V555 HydrophobicContact CG2-CB 3.68Å; I553-V555 HydrophobicContact CG2-CG2 3.82Å; I553-V555 PolarHBondContact O-N 2.83Å
554Q44.6Very low58.2Low209 Ų20987.7 Ų87.798%0.97745%0.448SS*.SBendtrans-76.436.5177.8-152.3169.625.600112.5
555V37.5Very low59.7Low108 Ų10882.5 Ų82.566%0.65543%0.425SS*.SBendtrans-139.8123.6-178.3-163.90000105.4I553 Y557I553-V555 HydrophobicContact CG2-CB 3.68Å; I553-V555 HydrophobicContact CG2-CG2 3.82Å; I553-V555 PolarHBondContact O-N 2.83Å; V555-Y557 PolarHBondContact O-N 3.43Å
556G40.8Very low61.1Low59 Ų5976.2 Ų76.261%0.60839%0.392SS*.  trans-58.185.1-158.700000116.7Y558G556-Y558 VanDerWaalsContact O-CD2 3.31Å; G556-Y558 WeakPolarHBondContact O-CD2 3.41Å; G556-Y558 WeakPolarHBondContact O-CE2 3.44Å; G556-Y558 PolarHBondContact O-N 3.49Å
557Y41.2Very low62.3Low172 Ų17274.9 Ų74.968%0.67538%0.382SS*.  trans-87.194.1166.5-121.3-89.3000108.6V555 T559V555-Y557 PolarHBondContact O-N 3.43Å; Y557-T559 PolarHBondContact O-N 2.87Å
558Y48.7Very low63.6Low157 Ų15776.9 Ų76.962%0.61639%0.394SS*.  trans-70.7119.3179.2-59.7-87.1000110.1G556 S560G556-Y558 VanDerWaalsContact O-CD2 3.31Å; G556-Y558 WeakPolarHBondContact O-CD2 3.41Å; G556-Y558 WeakPolarHBondContact O-CE2 3.44Å; G556-Y558 PolarHBondContact O-N 3.49Å; Y558-S560 PolarHBondContact O-N 3.29Å
559T54.8Low64.9Low75 Ų7575.9 Ų75.946%0.4640%0.395SS..  trans-74.396.1169.847.50000109.4L547 A550 Y557L547-T559 HydrophobicContact CD2-CG2 3.98Å; A550-T559 HydrophobicContact CB-CG2 4.18Å; Y557-T559 PolarHBondContact O-N 2.87Å
560S63.3Low66.5Low58 Ų5873.8 Ų73.841%0.40638%0.378SS..  trans-62.6151.6173.250.90000111.6Y558Y558-S560 PolarHBondContact O-N 3.29Å
561L73.8Confident68Low40 Ų4076.6 Ų76.621%0.20940%0.396CS..  trans-91.1126.7164.5-85.3161000107.8Y563 L587 K589 A705 M707L561-Y563 HydrophobicContact CB-CD2 3.92Å; L561-Y563 HydrophobicContact CB-CE2 3.33Å; L561-Y563 HydrophobicContact CD1-CE2 4.32Å; L561-Y563 HydrophobicContact CG-CE2 4.41Å; L561-Y563 WeakPolarHBondContact O-CD2 3.29Å; L561-L587 HydrophobicContact CD2-CD2 4.32Å; L561-K589 HydrophobicContact CD1-CD 4.23Å; L561-K589 HydrophobicContact CD2-CD 4.45Å; L561-A705 HydrophobicContact CB-CB 4.39Å; L561-A705 HydrophobicContact CD2-CB 3.95Å; L561-M707 HydrophobicContact CD1-CE 4.39Å; L561-M707 HydrophobicContact CD2-CB 3.84Å; L561-M707 HydrophobicContact CD2-CE 4Å; L561-M707 HydrophobicContact CG-CE 3.76Å
562D79.8Confident69.7Low20 Ų2077 Ų7711%0.10740%0.395CS..EExtended strand (participates in β ladder)trans-92110176.1-59.1-44.6000108.6H528 L529 A705 L706H528-D562 WeakPolarHBondContact CB-OD1 3.4Å; H528-D562 IonicContact CG-OD1 3.73Å; H528-D562 IonicContact ND1-OD1 3.95Å; L529-D562 HydrophobicContact CD1-CB 4.23Å; L529-D562 HydrophobicContact CD2-CB 3.66Å; L529-D562 HydrophobicContact CG-CB 3.95Å; D562-A705 CarbonylContact O-C 3.59Å; D562-A705 VanDerWaalsContact O-CA 3.24Å; D562-A705 WeakPolarHBondContact O-CA 3.44Å; D562-L706 PolarHBondContact N-O 3.19Å; D562-L706 PolarHBondContact O-N 3.31Å
563Y82.7Confident71.6Confident34 Ų3468.4 Ų68.413%0.13337%0.369CS..EExtended strand (participates in β ladder)trans-96.6141.4-174.4-70.4-109.9000111.9G523 L561 W601 F634 L636 F704 A705G523-Y563 CarbonylContact C-O 2.96Å; G523-Y563 WeakPolarHBondContact CA-O 3.37Å; L561-Y563 HydrophobicContact CB-CD2 3.92Å; L561-Y563 HydrophobicContact CB-CE2 3.33Å; L561-Y563 HydrophobicContact CD1-CE2 4.32Å; L561-Y563 HydrophobicContact CG-CE2 4.41Å; L561-Y563 WeakPolarHBondContact O-CD2 3.29Å; Y563-W601 HydrophobicContact CD1-CH2 4.18Å; Y563-W601 HydrophobicContact CD1-CZ3 4.47Å; Y563-W601 AromaticContact CD2-CH2 3.26Å; Y563-W601 HydrophobicContact CD2-CH2 3.26Å; Y563-W601 AromaticContact CD2-CZ2 3.99Å; Y563-W601 HydrophobicContact CD2-CZ2 3.99Å; Y563-W601 HydrophobicContact CD2-CZ3 4.08Å; Y563-W601 HydrophobicContact CE1-CH2 4.41Å; Y563-W601 AromaticContact CE2-CH2 3.52Å; Y563-W601 HydrophobicContact CE2-CH2 3.52Å; Y563-W601 AromaticContact CE2-CZ2 3.74Å; Y563-W601 HydrophobicContact CE2-CZ2 3.74Å; Y563-W601 AromaticContact CG-CH2 3.6Å; Y563-W601 HydrophobicContact CG-CH2 3.6Å; Y563-W601 HydrophobicContact CG-CZ2 4.5Å; Y563-W601 AromaticContact CG-CZ3 3.98Å; Y563-W601 HydrophobicContact CG-CZ3 3.98Å; Y563-F634 HydrophobicContact CD1-CD1 4.15Å; Y563-F634 HydrophobicContact CD1-CD2 4.19Å; Y563-F634 AromaticContact CD1-CE1 3.72Å; Y563-F634 HydrophobicContact CD1-CE1 3.72Å; Y563-F634 AromaticContact CD1-CE2 3.74Å; Y563-F634 HydrophobicContact CD1-CE2 3.74Å; Y563-F634 HydrophobicContact CD1-CG 4.4Å; Y563-F634 AromaticContact CD1-CZ 3.5Å; Y563-F634 HydrophobicContact CD1-CZ 3.5Å; Y563-F634 HydrophobicContact CE1-CD1 4.3Å; Y563-F634 AromaticContact CE1-CD2 3.71Å; Y563-F634 HydrophobicContact CE1-CD2 3.71Å; Y563-F634 HydrophobicContact CE1-CE1 4.22Å; Y563-F634 AromaticContact CE1-CE2 3.59Å; Y563-F634 HydrophobicContact CE1-CE2 3.59Å; Y563-F634 HydrophobicContact CE1-CG 4.1Å; Y563-F634 AromaticContact CE1-CZ 3.88Å; Y563-F634 HydrophobicContact CE1-CZ 3.88Å; Y563-F634 HydrophobicContact CG-CZ 4.26Å; Y563-L636 HydrophobicContact CE1-CD1 4.12Å; Y563-F704 CarbonylContact C-O 3.58Å; Y563-F704 WeakPolarHBondContact CA-O 3.42Å; Y563-A705 HydrophobicContact CD1-CB 3.61Å; Y563-A705 HydrophobicContact CD2-CB 4.09Å; Y563-A705 HydrophobicContact CE1-CB 3.77Å; Y563-A705 HydrophobicContact CE2-CB 4.26Å; Y563-A705 HydrophobicContact CG-CB 3.8Å
564I86.8Confident73.7Confident0 Ų068.6 Ų68.60%037%0.367CS..EExtended strand (participates in β ladder)trans-143.1147.7174-167.1166.6000109.9F518 Y524 L529 L531 V538 F704 L706F518-I564 HydrophobicContact CB-CD1 3.81Å; F518-I564 HydrophobicContact CB-CG1 4.33Å; F518-I564 HydrophobicContact CD1-CD1 4.26Å; F518-I564 HydrophobicContact CD1-CG1 4.27Å; F518-I564 HydrophobicContact CD1-CG2 4Å; F518-I564 HydrophobicContact CE1-CG2 4.22Å; F518-I564 HydrophobicContact CG-CD1 4.26Å; Y524-I564 HydrophobicContact CD2-CD1 4.04Å; Y524-I564 HydrophobicContact CG-CD1 4.48Å; L529-I564 HydrophobicContact CD1-CB 4.12Å; L529-I564 HydrophobicContact CD1-CD1 4.31Å; L531-I564 HydrophobicContact CD1-CD1 4.32Å; V538-I564 HydrophobicContact CG1-CG2 4.17Å; V538-I564 HydrophobicContact CG2-CD1 4.05Å; V538-I564 HydrophobicContact CG2-CG2 4.41Å; I564-F704 HydrophobicContact CG2-CB 3.94Å; I564-F704 PolarHBondContact N-O 3.25Å; I564-F704 PolarHBondContact O-N 3.38Å; I564-F704 VanDerWaalsContact O-O 3.11Å; I564-L706 HydrophobicContact CG2-CD1 4.25Å
565I90.1Very high75.9Confident8 Ų860.7 Ų60.74%0.04133%0.33CS..EExtended strand (participates in β ladder)trans-119.4166.7179.865.6165.7000111.8D519 C522 L598 Y701 P702 A703D519-I565 HydrophobicContact CB-CG1 4.27Å; D519-I565 PolarHBondContact N-O 3.32Å; C522-I565 HydrophobicContact CB-CD1 3.81Å; C522-I565 HydrophobicContact CB-CG1 3.88Å; C522-I565 WeakPolarHBondContact SG-CD1 3.31Å; I565-L598 HydrophobicContact CD1-CD1 4.19Å; I565-L598 HydrophobicContact CG2-CD2 4.34Å; I565-Y701 HydrophobicContact CD1-CD1 3.98Å; I565-Y701 HydrophobicContact CD1-CG 4.12Å; I565-P702 CarbonylContact C-O 3.44Å; I565-P702 VanDerWaalsContact CA-O 3.25Å; I565-P702 WeakPolarHBondContact CA-O 3.14Å; I565-P702 WeakPolarHBondContact CB-O 3.38Å; I565-A703 HydrophobicContact CG2-CB 4.13Å
566G89.1Confident78.5Confident0 Ų055.6 Ų55.60%030%0.299CS..BIsolated β-bridgetrans-71.1151165.100000112.2F516 L517 Y701 P702F516-G566 VanDerWaalsContact CD2-CA 3.44Å; L517-G566 CarbonylContact O-C 3.48Å; L517-G566 WeakPolarHBondContact O-CA 3.39Å; G566-Y701 WeakPolarHBondContact O-CD1 3.37Å; G566-P702 PolarHBondContact N-O 2.81Å
567D87.6Confident80.9Confident56 Ų5653 Ų5330%0.29927%0.271SS..SBendtrans-79.4-15.9179.562.6-9.4000114.6L517 D519 R535L517-D567 PolarHBondContact N-OD1 2.94Å; L517-D567 VanDerWaalsContact O-CG 3.3Å; L517-D567 PolarHBondContact O-N 3.22Å; D519-D567 HydrophobicContact CB-CB 4.03Å; R535-D567 IonicContact CZ-OD2 3.97Å; R535-D567 IonicContact NH1-OD2 2.73Å; R535-D567 PolarHBondContact NH1-OD2 2.98Å; R535-D567 VanDerWaalsContact NH2-CG 3.3Å; R535-D567 IonicContact NH2-OD2 3.48Å; R535-D567 PolarHBondContact NH2-OD2 3.17Å
568V88.9Confident83.2Confident65 Ų6545 Ų4539%0.39424%0.24SC..SBendtrans-108129174.7-168.40000110.6F514 F516F514-V568 HydrophobicContact CE1-CB 4.46Å; F514-V568 HydrophobicContact CE2-CG1 4Å; F514-V568 HydrophobicContact CZ-CB 3.74Å; F514-V568 HydrophobicContact CZ-CG1 3.63Å; F516-V568 HydrophobicContact CB-CB 4.19Å; F516-V568 HydrophobicContact CB-CG2 4.3Å
569G89.3Confident85.2Confident25 Ų2537.5 Ų37.526%0.25821%0.211SC..  trans-97148176.100000113.3Y701G569-Y701 VanDerWaalsContact CA-CE1 3.43Å
570I91.2Very high86.9Confident4 Ų439 Ų392%0.02121%0.208CC..BIsolated β-bridgetrans-106128.3-178.4-57.5167.7000109F514 H575 W577 L671 T699 M700F514-I570 HydrophobicContact CD1-CD1 3.84Å; F514-I570 HydrophobicContact CD1-CG1 4.17Å; F514-I570 HydrophobicContact CD2-CD1 4.45Å; F514-I570 HydrophobicContact CD2-CG1 4.17Å; F514-I570 HydrophobicContact CE1-CD1 3.79Å; F514-I570 HydrophobicContact CE1-CG1 3.73Å; F514-I570 HydrophobicContact CE2-CD1 4.41Å; F514-I570 HydrophobicContact CE2-CG1 3.73Å; F514-I570 HydrophobicContact CG-CD1 4.17Å; F514-I570 HydrophobicContact CG-CG1 4.37Å; F514-I570 HydrophobicContact CZ-CD1 4.08Å; F514-I570 HydrophobicContact CZ-CG1 3.48Å; F514-I570 VanDerWaalsContact CZ-CG1 3.48Å; I570-H575 HydrophobicContact CD1-CB 3.94Å; I570-H575 WeakPolarHBondContact CG2-CD2 3.41Å; I570-W577 HydrophobicContact CD1-CE3 4.34Å; I570-W577 HydrophobicContact CD1-CH2 4.11Å; I570-W577 HydrophobicContact CD1-CZ3 3.59Å; I570-L671 HydrophobicContact CB-CD2 4.28Å; I570-L671 HydrophobicContact CD1-CD2 3.96Å; I570-L671 HydrophobicContact CG2-CD2 4.12Å; I570-T699 CarbonylContact O-C 3.59Å; I570-T699 WeakPolarHBondContact O-CA 3.45Å; I570-M700 PolarHBondContact N-O 3.14Å; I570-M700 PolarHBondContact O-N 3.43Å
571S88.3Confident88.1Confident78 Ų7836.5 Ų36.555%0.54519%0.19SC..  trans-116.4-26-179.458.70000115.1
572K88.9Confident88.8Confident164 Ų16436.1 Ų36.171%0.71319%0.187SC*.SBendtrans-154.1161.1-176.6-64.8-170.3178.8-178.50111.7H575K572-H575 PolarHBondContact O-NE2 3.29Å
573G89.8Confident88.9Confident20 Ų2039.3 Ų39.321%0.20621%0.209CC..SBendtrans81.1-158.4175.200000113.5C673 D674G573-C673 VanDerWaalsContact O-CB 3.3Å; G573-C673 WeakPolarHBondContact O-CB 3.22Å; G573-C673 PolarHBondContact O-N 3.49Å; G573-D674 WeakPolarHBondContact CA-OD1 3.4Å; G573-D674 PolarHBondContact N-OD1 2.81Å
574K91.2Very high88.8Confident89 Ų8943 Ų4339%0.38722%0.224SC..EExtended strand (participates in β ladder)trans-125.3129.3-170.7-64.7179.2-172.3173.90110.3A511 F670 L671 D672A511-K574 HydrophobicContact CB-CB 3.67Å; K574-F670 HydrophobicContact CB-CE2 4.05Å; K574-F670 HydrophobicContact CB-CZ 4.4Å; K574-F670 HydrophobicContact CD-CZ 4.36Å; K574-F670 HydrophobicContact CG-CZ 4.43Å; K574-L671 WeakPolarHBondContact CA-O 3.47Å; K574-D672 VanDerWaalsContact CE-OD2 3.28Å; K574-D672 WeakPolarHBondContact CE-OD2 3.4Å; K574-D672 HydrophobicContact CG-CB 4.4Å; K574-D672 IonicContact NZ-OD2 2.58Å
575H90.9Very high88.7Confident43 Ų4343.2 Ų43.220%0.19923%0.225CC..EExtended strand (participates in β ladder)trans-139.8140.1-169.7-62.3-87.1000110.2F514 I570 K572 W577 F670 L671F514-H575 HydrophobicContact CB-CB 3.92Å; F514-H575 AromaticContact CD2-ND1 3.55Å; F514-H575 HydrophobicContact CG-CB 4.36Å; I570-H575 HydrophobicContact CD1-CB 3.94Å; I570-H575 WeakPolarHBondContact CG2-CD2 3.41Å; K572-H575 PolarHBondContact O-NE2 3.29Å; H575-W577 HydrophobicContact CB-CZ3 4.41Å; H575-F670 WeakPolarHBondContact O-CA 3.28Å; H575-F670 WeakPolarHBondContact O-CD2 3.2Å; H575-L671 PolarHBondContact N-O 3.28Å; H575-L671 PolarHBondContact O-N 2.92Å
576F91.1Very high88.3Confident0 Ų047.1 Ų47.10%024%0.24CC..EExtended strand (participates in β ladder)trans-124.8144.3175.3-177.4-92.5000110.2P509 P510 P512 V513 F514 A578 I669 F670 Y681 T683 M686P509-F576 HydrophobicContact CB-CB 4.35Å; P509-F576 HydrophobicContact CB-CD1 3.81Å; P509-F576 HydrophobicContact CB-CD2 4.42Å; P509-F576 HydrophobicContact CB-CE1 4.13Å; P509-F576 HydrophobicContact CB-CG 3.95Å; P509-F576 HydrophobicContact CG-CD1 4.15Å; P509-F576 HydrophobicContact CG-CE1 4.18Å; P510-F576 HydrophobicContact CG-CD2 4Å; P510-F576 HydrophobicContact CG-CE2 4.47Å; P512-F576 PolarHBondContact O-N 3.09Å; V513-F576 CarbonylContact C-O 3.51Å; V513-F576 WeakPolarHBondContact CA-O 3.41Å; V513-F576 HydrophobicContact CG2-CD1 4Å; F514-F576 PolarHBondContact N-O 2.99Å; F576-A578 HydrophobicContact CE1-CB 4.32Å; F576-I669 CarbonylContact C-O 3.54Å; F576-I669 VanDerWaalsContact CA-O 3.31Å; F576-I669 WeakPolarHBondContact CA-O 3.49Å; F576-F670 HydrophobicContact CD2-CB 4.06Å; F576-Y681 HydrophobicContact CE2-CD2 4.21Å; F576-Y681 HydrophobicContact CE2-CG 4.43Å; F576-T683 HydrophobicContact CZ-CG2 4.31Å; F576-M686 HydrophobicContact CE2-CE 3.96Å; F576-M686 HydrophobicContact CZ-CE 3.93Å; F576-M686 HydrophobicContact CZ-SD 4.1Å
577W91.6Very high88Confident4 Ų449 Ų492%0.01525%0.25CS..EExtended strand (participates in β ladder)trans-146.7153.9166.860.595.5000110.6F514 F516 I570 H575 V592 G668 I669 L671 P702F514-W577 HydrophobicContact CD1-CE3 4.33Å; F516-W577 HydrophobicContact CE1-CB 3.86Å; F516-W577 AromaticContact CE1-CD1 3.66Å; F516-W577 HydrophobicContact CE1-CD2 4.16Å; F516-W577 AromaticContact CE1-CG 3.62Å; F516-W577 HydrophobicContact CE1-CG 3.62Å; F516-W577 AromaticContact CZ-CD1 3.78Å; F516-W577 HydrophobicContact CZ-CG 4.22Å; I570-W577 HydrophobicContact CD1-CE3 4.34Å; I570-W577 HydrophobicContact CD1-CH2 4.11Å; I570-W577 HydrophobicContact CD1-CZ3 3.59Å; H575-W577 HydrophobicContact CB-CZ3 4.41Å; W577-V592 HydrophobicContact CH2-CG1 3.5Å; W577-V592 HydrophobicContact CZ2-CG1 3.67Å; W577-G668 CarbonylContact O-C 3.57Å; W577-G668 WeakPolarHBondContact O-CA 2.75Å; W577-I669 HydrophobicContact CD2-CB 4.16Å; W577-I669 HydrophobicContact CH2-CB 4.43Å; W577-I669 HydrophobicContact CH2-CG2 3.82Å; W577-I669 HydrophobicContact CZ2-CB 3.8Å; W577-I669 HydrophobicContact CZ2-CG2 3.44Å; W577-I669 VanDerWaalsContact CZ2-CG2 3.44Å; W577-I669 PolarHBondContact N-O 3.31Å; W577-I669 PolarHBondContact O-N 3.03Å; W577-L671 HydrophobicContact CH2-CB 4.05Å; W577-L671 HydrophobicContact CH2-CD2 4.45Å; W577-L671 HydrophobicContact CZ3-CB 3.96Å; W577-P702 HydrophobicContact CD2-CG 4.39Å; W577-P702 HydrophobicContact CH2-CG 4.34Å; W577-P702 HydrophobicContact CZ2-CB 3.87Å; W577-P702 HydrophobicContact CZ2-CG 4Å
578A90.4Very high88Confident4 Ų446.3 Ų46.33%0.03324%0.236CC..EExtended strand (participates in β ladder)trans-119.9144.5-17900000111.3Y430 F576 I667 T683 E715Y430-A578 HydrophobicContact CE1-CB 4.02Å; F576-A578 HydrophobicContact CE1-CB 4.32Å; A578-I667 WeakPolarHBondContact CA-O 3.42Å; A578-T683 HydrophobicContact CB-CG2 3.84Å; A578-E715 HydrophobicContact CB-CB 4.14Å; A578-E715 HydrophobicContact CB-CG 4.41Å; A578-E715 WeakPolarHBondContact CB-OE2 3.39Å; A578-E715 PolarHBondContact O-N 3.22Å
579C90.4Very high87.9Confident0 Ų045.6 Ų45.60%023%0.227CC..EExtended strand (participates in β ladder)trans-143.2138.8174.961.90000111.6S666 I667 F704 I712 Q713 L714C579-S666 PolarHBondContact O-OG 2.9Å; C579-I667 PolarHBondContact N-O 3.04Å; C579-I667 PolarHBondContact O-N 3.27Å; C579-F704 HydrophobicContact CB-CE1 4.33Å; C579-I712 HydrophobicContact CB-CG2 4.04Å; C579-Q713 CarbonylContact C-O 3.59Å; C579-Q713 WeakPolarHBondContact CA-O 3.44Å; C579-L714 HydrophobicContact CB-CD2 4.2Å
580R90.3Very high88Confident108 Ų10844.4 Ų44.441%0.40822%0.215SC..EExtended strand (participates in β ladder)trans-89128.9171.6178.8176.9-56.1177.46.8109.6I712 Q713 E715R580-I712 WeakPolarHBondContact O-CA 3.41Å; R580-Q713 HydrophobicContact CB-CB 4.37Å; R580-Q713 PolarHBondContact N-O 3.32Å; R580-Q713 PolarHBondContact O-N 2.98Å; R580-E715 IonicContact NH2-OE1 3.29Å
581V88.9Confident88Confident4 Ų444.2 Ų44.22%0.02421%0.214CC..EExtended strand (participates in β ladder)trans-94.3127.7168.3177.40000107.8V588 V590 I639 M663 I667V581-V588 HydrophobicContact CG1-CB 4.16Å; V581-V588 HydrophobicContact CG1-CG2 4.14Å; V581-V588 HydrophobicContact CG2-CG1 4.21Å; V581-V590 HydrophobicContact CG2-CG1 4.47Å; V581-I639 HydrophobicContact CB-CG2 4.29Å; V581-I639 HydrophobicContact CG1-CG2 4.17Å; V581-I639 HydrophobicContact CG2-CB 4.49Å; V581-I639 HydrophobicContact CG2-CG2 4.26Å; V581-M663 HydrophobicContact CB-CE 3.93Å; V581-M663 HydrophobicContact CG1-CE 4.02Å; V581-M663 WeakPolarHBondContact O-CE 3.42Å; V581-I667 HydrophobicContact CG2-CD1 4.46Å
582E87.6Confident88.1Confident32 Ų3240.5 Ų40.515%0.1519%0.188CC..PPolyproline II helixtrans-65.8138.8-174.9-76.7-74.5-167.300111.4R537 Y584 S585 G711R537-E582 IonicContact CZ-OE1 3.39Å; R537-E582 IonicContact NH1-OE1 2.67Å; R537-E582 PolarHBondContact NH1-OE1 3.05Å; R537-E582 IonicContact NH2-OE1 3.16Å; R537-E582 PolarHBondContact NH2-OE1 2.9Å; E582-Y584 HydrophobicContact CB-CD1 4.01Å; E582-Y584 HydrophobicContact CB-CD2 4.49Å; E582-Y584 HydrophobicContact CB-CE1 3.55Å; E582-Y584 HydrophobicContact CB-CE2 4.06Å; E582-Y584 HydrophobicContact CB-CG 4.46Å; E582-Y584 HydrophobicContact CG-CE1 3.89Å; E582-Y584 PolarHBondContact O-N 3.44Å; E582-S585 WeakPolarHBondContact O-CB 3.42Å; E582-S585 PolarHBondContact O-N 3.09Å; E582-S585 PolarHBondContact O-OG 3.12Å; E582-G711 PolarHBondContact N-O 3.46Å
583P81.3Confident88.2Confident88 Ų8832.7 Ų32.757%0.57115%0.154SC*.THydrogen-bonded Turntrans-63.2-18.3-172.4-25.735.2000115.8S585P583-S585 VanDerWaalsContact C-N 3.3Å
584Y81.9Confident88Confident111 Ų11132.3 Ų32.344%0.43515%0.149SC..THydrogen-bonded Turntrans-84.7-2.7174.461.8-104.9000113.1E539 E582 Y586 S709E539-Y584 PolarHBondContact OE1-OH 3.41Å; E582-Y584 HydrophobicContact CB-CD1 4.01Å; E582-Y584 HydrophobicContact CB-CD2 4.49Å; E582-Y584 HydrophobicContact CB-CE1 3.55Å; E582-Y584 HydrophobicContact CB-CE2 4.06Å; E582-Y584 HydrophobicContact CB-CG 4.46Å; E582-Y584 HydrophobicContact CG-CE1 3.89Å; E582-Y584 PolarHBondContact O-N 3.44Å; Y584-Y586 PolarHBondContact O-N 3.45Å; Y584-S709 WeakPolarHBondContact CD2-O 3.02Å
585S83.6Confident87.7Confident5 Ų529.5 Ų29.54%0.03514%0.14CC..  trans-61.3119.6-177.6-65.10000112.2E582 P583 M641 S709 G711E582-S585 WeakPolarHBondContact O-CB 3.42Å; E582-S585 PolarHBondContact O-N 3.09Å; E582-S585 PolarHBondContact O-OG 3.12Å; P583-S585 VanDerWaalsContact C-N 3.3Å; S585-M641 PolarHBondContact O-N 3.41Å; S585-S709 VanDerWaalsContact CA-O 3.3Å; S585-S709 WeakPolarHBondContact CA-O 3.39Å; S585-G711 PolarHBondContact OG-N 2.95Å; S585-G711 PolarHBondContact OG-O 3.38Å
586Y81.6Confident87Confident89 Ų8932 Ų3235%0.34916%0.155SC..SBendtrans-65.6-64.2174.8178.1-105.7000110.6L547 Y584 G640 M641 M707L547-Y586 HydrophobicContact CD1-CD1 3.64Å; L547-Y586 HydrophobicContact CD1-CD2 4.03Å; L547-Y586 HydrophobicContact CD1-CE1 4.2Å; L547-Y586 HydrophobicContact CD1-CG 3.54Å; L547-Y586 HydrophobicContact CD2-CD1 4.38Å; L547-Y586 HydrophobicContact CD2-CE1 4.45Å; Y584-Y586 PolarHBondContact O-N 3.45Å; Y586-G640 CarbonylContact O-C 3.58Å; Y586-G640 VanDerWaalsContact O-CA 3.23Å; Y586-G640 WeakPolarHBondContact O-CA 3.34Å; Y586-M641 HydrophobicContact CE2-SD 4.4Å; Y586-M641 WeakPolarHBondContact O-CG 3.32Å; Y586-M641 PolarHBondContact O-N 3.35Å; Y586-M707 HydrophobicContact CE1-SD 4.34Å
587L83.1Confident85.9Confident40 Ų4035.9 Ų35.921%0.20917%0.172CC..EExtended strand (participates in β ladder)trans-148.6130.3174.1-171.6152.7000110.5L561 K589 T638 M707L561-L587 HydrophobicContact CD2-CD2 4.32Å; L587-K589 HydrophobicContact CD2-CG 4.14Å; L587-T638 HydrophobicContact CD1-CG2 3.76Å; L587-T638 HydrophobicContact CD2-CG2 3.82Å; L587-T638 HydrophobicContact CG-CG2 3.61Å; L587-M707 HydrophobicContact CB-CB 4.28Å; L587-M707 HydrophobicContact CD2-CB 4.22Å; L587-M707 PolarHBondContact O-N 3.19Å
588V86.7Confident85Confident0 Ų036.3 Ų36.30%017%0.174CC..EExtended strand (participates in β ladder)trans-131.5146.1177.5169.20000108.2V581 V590 T638 I639 A705 L706 I712V581-V588 HydrophobicContact CG1-CB 4.16Å; V581-V588 HydrophobicContact CG1-CG2 4.14Å; V581-V588 HydrophobicContact CG2-CG1 4.21Å; V588-V590 HydrophobicContact CG1-CG1 3.85Å; V588-T638 WeakPolarHBondContact O-CA 3.43Å; V588-I639 PolarHBondContact N-O 3.41Å; V588-I639 PolarHBondContact O-N 3.4Å; V588-A705 CarbonylContact C-O 3.08Å; V588-A705 WeakPolarHBondContact CA-O 3.45Å; V588-L706 HydrophobicContact CG2-CG 4.45Å; V588-I712 HydrophobicContact CG1-CD1 3.51Å; V588-I712 HydrophobicContact CG1-CG1 3.73Å; V588-I712 HydrophobicContact CG2-CG1 4.38Å
589K88.8Confident83.6Confident49 Ų4941.5 Ų41.521%0.21320%0.198CC..EExtended strand (participates in β ladder)trans-119.2138.5170.5-59.1-174175.9179.10109.6L561 L587 L636 V637 T638 F704 A705L561-K589 HydrophobicContact CD1-CD 4.23Å; L561-K589 HydrophobicContact CD2-CD 4.45Å; L587-K589 HydrophobicContact CD2-CG 4.14Å; K589-L636 HydrophobicContact CB-CB 3.94Å; K589-L636 HydrophobicContact CB-CD1 3.72Å; K589-L636 HydrophobicContact CB-CG 4.39Å; K589-L636 HydrophobicContact CD-CD1 4.12Å; K589-V637 WeakPolarHBondContact CA-O 3.3Å; K589-T638 HydrophobicContact CG-CG2 4.42Å; K589-F704 CarbonylContact O-C 3.52Å; K589-F704 VanDerWaalsContact O-CA 3.27Å; K589-F704 WeakPolarHBondContact O-CA 3.32Å; K589-A705 HydrophobicContact CB-CB 4.17Å; K589-A705 PolarHBondContact N-O 2.95Å; K589-A705 PolarHBondContact O-N 2.8Å
590V90.8Very high82.1Confident0 Ų048.4 Ų48.40%023%0.23CC..EExtended strand (participates in β ladder)trans-134.8147.9179.8-460000110.6V581 V588 L636 V637 I639 I667 I669 F680 A703 F704V581-V590 HydrophobicContact CG2-CG1 4.47Å; V588-V590 HydrophobicContact CG1-CG1 3.85Å; V590-L636 CarbonylContact O-C 3.49Å; V590-L636 VanDerWaalsContact O-CA 3.25Å; V590-L636 WeakPolarHBondContact O-CA 3.29Å; V590-V637 HydrophobicContact CG2-CG2 3.79Å; V590-V637 PolarHBondContact N-O 3.09Å; V590-V637 PolarHBondContact O-N 3.38Å; V590-I639 HydrophobicContact CB-CD1 4.33Å; V590-I639 HydrophobicContact CG1-CD1 3.94Å; V590-I639 HydrophobicContact CG2-CD1 3.52Å; V590-I667 HydrophobicContact CG2-CG2 4.18Å; V590-I669 HydrophobicContact CG2-CD1 4.18Å; V590-I669 HydrophobicContact CG2-CG1 4.45Å; V590-F680 HydrophobicContact CG2-CE1 4.45Å; V590-F680 WeakPolarHBondContact O-CE1 3.27Å; V590-A703 CarbonylContact C-O 3.52Å; V590-F704 HydrophobicContact CB-CD1 4.05Å; V590-F704 HydrophobicContact CB-CE1 4.21Å; V590-F704 HydrophobicContact CG1-CD1 3.88Å; V590-F704 HydrophobicContact CG1-CE1 4.25Å
591G90.7Very high80.8Confident0 Ų047.9 Ų47.90%023%0.228CC..EExtended strand (participates in β ladder)trans157.6-133.2177.500000112.6T635 A703G591-T635 WeakPolarHBondContact CA-O 3.45Å; G591-A703 CarbonylContact C-O 3.49Å; G591-A703 PolarHBondContact N-O 3.47Å; G591-A703 PolarHBondContact O-N 2.93Å
592V91.4Very high79.4Confident0 Ų051.6 Ų51.60%025%0.248CC..EExtended strand (participates in β ladder)trans-133.2151.8-173.2-64.50000113.3W577 F634 T635 I669 L671 V678 V694 M700 Y701W577-V592 HydrophobicContact CH2-CG1 3.5Å; W577-V592 HydrophobicContact CZ2-CG1 3.67Å; V592-F634 CarbonylContact O-C 3.51Å; V592-F634 WeakPolarHBondContact O-CA 3.46Å; V592-T635 PolarHBondContact N-O 3.24Å; V592-T635 PolarHBondContact O-N 3.24Å; V592-I669 HydrophobicContact CG1-CG2 4.43Å; V592-L671 HydrophobicContact CG1-CD1 4.44Å; V592-L671 HydrophobicContact CG1-CD2 4.38Å; V592-V678 HydrophobicContact CG1-CG2 4.19Å; V592-V678 HydrophobicContact CG2-CB 4.36Å; V592-V678 HydrophobicContact CG2-CG1 4.41Å; V592-V678 HydrophobicContact CG2-CG2 4.17Å; V592-V694 HydrophobicContact CG2-CG1 4.39Å; V592-M700 HydrophobicContact CB-CE 3.95Å; V592-M700 HydrophobicContact CG2-CE 3.65Å; V592-Y701 CarbonylContact C-O 3.59Å; V592-Y701 VanDerWaalsContact CA-O 3.29Å; V592-Y701 WeakPolarHBondContact CA-O 3.39Å
593A89.3Confident77.7Confident0 Ų059 Ų590%027%0.274CS..EExtended strand (participates in β ladder)trans-126.7145.2174.800000111.8L598 P633 F634 M700 Y701 A703A593-L598 HydrophobicContact CB-CD1 3.87Å; A593-L598 HydrophobicContact CB-CD2 3.95Å; A593-L598 HydrophobicContact CB-CG 3.94Å; A593-P633 WeakPolarHBondContact CA-O 3.35Å; A593-F634 HydrophobicContact CB-CD1 3.51Å; A593-F634 HydrophobicContact CB-CE1 3.74Å; A593-F634 HydrophobicContact CB-CG 4.41Å; A593-M700 CarbonylContact O-C 3.54Å; A593-M700 VanDerWaalsContact O-CA 3.3Å; A593-M700 WeakPolarHBondContact O-CA 3.2Å; A593-Y701 PolarHBondContact N-O 3.38Å; A593-Y701 PolarHBondContact O-N 3.42Å; A593-A703 HydrophobicContact CB-CB 3.67Å
594S86.8Confident75.9Confident13 Ų1357.2 Ų57.29%0.09126%0.263CS..EExtended strand (participates in β ladder)trans-93.5134.4175-177.90000111.8D596 K597 L598 P633S594-D596 VanDerWaalsContact C-N 3.26Å; S594-D596 PolarHBondContact O-N 3.03Å; S594-K597 PolarHBondContact O-N 3.49Å; S594-L598 WeakPolarHBondContact O-CG 3.47Å; S594-L598 PolarHBondContact O-N 2.96Å; S594-P633 PolarHBondContact N-O 3.48Å; S594-P633 VanDerWaalsContact N-O 3.12Å
595S83.8Confident73.9Confident29 Ų2957.9 Ų57.920%0.20328%0.282CS..Hα-helixtrans-59.4-33.3-17667.30000114.2L598 Q599 T699S595-L598 PolarHBondContact O-N 2.82Å; S595-Q599 PolarHBondContact O-N 3.1Å; S595-T699 VanDerWaalsContact CB-O 3.27Å; S595-T699 WeakPolarHBondContact CB-O 3.44Å; S595-T699 PolarHBondContact N-O 2.94Å; S595-T699 PolarHBondContact OG-N 3.42Å; S595-T699 PolarHBondContact OG-O 3.01Å
596D77Confident72.1Confident97 Ų9767 Ų6752%0.51932%0.315SS..Hα-helixtrans-64.4-44.7-179.2-133.249.4000110.8S594 H698S594-D596 VanDerWaalsContact C-N 3.26Å; S594-D596 PolarHBondContact O-N 3.03Å; D596-H698 HydrophobicContact CB-CB 4.25Å; D596-H698 IonicContact OD1-CE1 3.57Å; D596-H698 PolarHBondContact OD1-CE1 3.42Å; D596-H698 IonicContact OD1-CG 2.64Å; D596-H698 IonicContact OD1-ND1 3.35Å; D596-H698 PolarHBondContact OD1-ND1 3.1Å; D596-H698 IonicContact OD2-CE1 2.78Å; D596-H698 PolarHBondContact OD2-CE1 2.88Å; D596-H698 IonicContact OD2-ND1 3.99Å; D596-H698 IonicContact OD2-NE2 3.79Å
597K67.7Low70Confident81 Ų8170.1 Ų70.135%0.35234%0.338SS..Hα-helixtrans-79.2-26.7178.4-62.4-176174.3-176.90113S594 E600 W601 Q632 P633S594-K597 PolarHBondContact O-N 3.49Å; K597-E600 PolarHBondContact O-N 3Å; K597-W601 VanDerWaalsContact O-CB 3.31Å; K597-W601 WeakPolarHBondContact O-CB 3.31Å; K597-W601 PolarHBondContact O-N 3Å; K597-W601 VanDerWaalsContact O-N 3.11Å; K597-Q632 PolarHBondContact NZ-O 3.25Å; K597-P633 HydrophobicContact CB-CB 3.56Å; K597-P633 HydrophobicContact CB-CG 4.02Å
598L72.3Confident67.9Low12 Ų1273.2 Ų73.26%0.06336%0.359CS..Hα-helixtrans-61.8-41173.9-80.2170.7000112I565 A593 S594 S595 E600 W601 L602 F634 Y701I565-L598 HydrophobicContact CD1-CD1 4.19Å; I565-L598 HydrophobicContact CG2-CD2 4.34Å; A593-L598 HydrophobicContact CB-CD1 3.87Å; A593-L598 HydrophobicContact CB-CD2 3.95Å; A593-L598 HydrophobicContact CB-CG 3.94Å; S594-L598 WeakPolarHBondContact O-CG 3.47Å; S594-L598 PolarHBondContact O-N 2.96Å; S595-L598 PolarHBondContact O-N 2.82Å; L598-E600 PolarHBondContact O-N 3.43Å; L598-W601 PolarHBondContact O-N 2.85Å; L598-L602 HydrophobicContact CB-CD1 4.48Å; L598-L602 WeakPolarHBondContact O-CB 3.44Å; L598-L602 WeakPolarHBondContact O-CD1 3.48Å; L598-L602 VanDerWaalsContact O-CG 3.31Å; L598-L602 WeakPolarHBondContact O-CG 3.49Å; L598-L602 PolarHBondContact O-N 3.3Å; L598-F634 HydrophobicContact CD2-CE1 3.9Å; L598-F634 HydrophobicContact CD2-CZ 3.94Å; L598-Y701 HydrophobicContact CD1-CD2 3.99Å; L598-Y701 HydrophobicContact CD1-CG 4.4Å
599Q60.9Low65.2Low113 Ų11377.5 Ų77.553%0.52839%0.394SS..Hα-helixtrans-67.2-33.8-179.9-75.5-156.32900114S595 R603S595-Q599 PolarHBondContact O-N 3.1Å; Q599-R603 WeakPolarHBondContact O-CB 3.33Å; Q599-R603 WeakPolarHBondContact O-CG 3.31Å
600E60.3Low62.6Low145 Ų14579.2 Ų79.268%0.67841%0.412SS*.Hα-helixtrans-73.1-40.4176.1-169.7176.5-169.200110.9K597 L598 S604K597-E600 PolarHBondContact O-N 3Å; L598-E600 PolarHBondContact O-N 3.43Å; E600-S604 PolarHBondContact O-N 3.41Å
601W62.2Low59.9Low97 Ų9784.7 Ų84.737%0.36745%0.447SS..Hα-helixtrans-71.9-43.8-177.7-161.875.9000112.9Y563 K597 L598 R603 S604 P633 F634Y563-W601 HydrophobicContact CD1-CH2 4.18Å; Y563-W601 HydrophobicContact CD1-CZ3 4.47Å; Y563-W601 AromaticContact CD2-CH2 3.26Å; Y563-W601 HydrophobicContact CD2-CH2 3.26Å; Y563-W601 AromaticContact CD2-CZ2 3.99Å; Y563-W601 HydrophobicContact CD2-CZ2 3.99Å; Y563-W601 HydrophobicContact CD2-CZ3 4.08Å; Y563-W601 HydrophobicContact CE1-CH2 4.41Å; Y563-W601 AromaticContact CE2-CH2 3.52Å; Y563-W601 HydrophobicContact CE2-CH2 3.52Å; Y563-W601 AromaticContact CE2-CZ2 3.74Å; Y563-W601 HydrophobicContact CE2-CZ2 3.74Å; Y563-W601 AromaticContact CG-CH2 3.6Å; Y563-W601 HydrophobicContact CG-CH2 3.6Å; Y563-W601 HydrophobicContact CG-CZ2 4.5Å; Y563-W601 AromaticContact CG-CZ3 3.98Å; Y563-W601 HydrophobicContact CG-CZ3 3.98Å; K597-W601 VanDerWaalsContact O-CB 3.31Å; K597-W601 WeakPolarHBondContact O-CB 3.31Å; K597-W601 PolarHBondContact O-N 3Å; K597-W601 VanDerWaalsContact O-N 3.11Å; L598-W601 PolarHBondContact O-N 2.85Å; W601-R603 VanDerWaalsContact C-N 3.29Å; W601-R603 PolarHBondContact O-N 3.19Å; W601-S604 PolarHBondContact O-N 3.49Å; W601-P633 HydrophobicContact CB-CG 3.68Å; W601-P633 HydrophobicContact CD2-CG 4.34Å; W601-P633 HydrophobicContact CG-CG 3.64Å; W601-F634 AromaticContact CD2-CE2 3.86Å; W601-F634 HydrophobicContact CD2-CE2 3.86Å; W601-F634 HydrophobicContact CD2-CZ 4.23Å; W601-F634 AromaticContact CE3-CE2 3.86Å; W601-F634 HydrophobicContact CE3-CE2 3.86Å; W601-F634 AromaticContact CE3-CZ 3.75Å; W601-F634 HydrophobicContact CE3-CZ 3.75Å; W601-F634 HydrophobicContact CG-CE2 4.49Å; W601-F634 HydrophobicContact CH2-CE2 4.31Å; W601-F634 HydrophobicContact CH2-CZ 4.42Å; W601-F634 HydrophobicContact CZ2-CE2 4.26Å; W601-F634 HydrophobicContact CZ3-CE2 4.09Å; W601-F634 AromaticContact CZ3-CZ 3.86Å; W601-F634 HydrophobicContact CZ3-CZ 3.86Å
602L59.3Low57.2Low83 Ų8395 Ų9544%0.43549%0.486SS..Hα-helixtrans-70-21178.2-69.7164.7000113.9C522 L598C522-L602 WeakPolarHBondContact SG-CD1 3.32Å; L598-L602 HydrophobicContact CB-CD1 4.48Å; L598-L602 WeakPolarHBondContact O-CB 3.44Å; L598-L602 WeakPolarHBondContact O-CD1 3.48Å; L598-L602 VanDerWaalsContact O-CG 3.31Å; L598-L602 WeakPolarHBondContact O-CG 3.49Å; L598-L602 PolarHBondContact O-N 3.3Å
603R52.7Low54.3Low188 Ų188105.6 Ų105.671%0.70953%0.528SS*.THydrogen-bonded Turntrans-87.1-8.6175.4-73.8-176.4-179.7118.11.5113.6Q599 W601Q599-R603 WeakPolarHBondContact O-CB 3.33Å; Q599-R603 WeakPolarHBondContact O-CG 3.31Å; W601-R603 VanDerWaalsContact C-N 3.29Å; W601-R603 PolarHBondContact O-N 3.19Å
604S43.1Very low51.6Low49 Ų49112.8 Ų112.834%0.34356%0.562SS.*  trans-126.491.8-178.1-171.50000109.9E600 W601 R606E600-S604 PolarHBondContact O-N 3.41Å; W601-S604 PolarHBondContact O-N 3.49Å; S604-R606 PolarHBondContact O-N 3.19Å
605P40.7Very low49.2Very low126 Ų126120.6 Ų120.682%0.81860%0.597SS**  trans-67.690.1169.929.4-33000108.2D607P605-D607 PolarHBondContact O-N 2.82Å
606R45.6Very low47Very low197 Ų197126.5 Ų126.574%0.74363%0.626SS**  trans-84.3104.3171.7-66.2-166.4-176.9-164.14.5108.1S604 T608S604-R606 PolarHBondContact O-N 3.19Å; R606-T608 PolarHBondContact O-N 2.96Å
607D36.2Very low45.2Very low154 Ų154127.6 Ų127.682%0.82464%0.641SS**  trans-46.6127150.3-74.8-45.6000108P605 A609P605-D607 PolarHBondContact O-N 2.82Å; D607-A609 PolarHBondContact O-N 2.94Å
608T39.8Very low44.4Very low105 Ų105127.3 Ų127.364%0.64466%0.661SS**  trans-72.281-178-15.80000109.6R606 S610R606-T608 PolarHBondContact O-N 2.96Å; T608-S610 VanDerWaalsContact C-N 3.3Å; T608-S610 PolarHBondContact O-N 3.2Å
609A29.5Very low42.7Very low90 Ų90135.4 Ų135.474%0.74470%0.698SS**  trans-6293.6168.400000109D607D607-A609 PolarHBondContact O-N 2.94Å
610S34.5Very low42Very low84 Ų84137.2 Ų137.259%0.58771%0.712SS**PPolyproline II helixtrans-54.5145.9163.7-175.80000109.2T608 R612T608-S610 VanDerWaalsContact C-N 3.3Å; T608-S610 PolarHBondContact O-N 3.2Å; S610-R612 PolarHBondContact O-N 3.37Å
611P35.1Very low41.1Very low115 Ų115134.8 Ų134.875%0.74771%0.711SS**PPolyproline II helixtrans-52.5143.2170.8-23.333.5000110.2Y613P611-Y613 PolarHBondContact O-N 3.19Å
612R32.5Very low40.3Very low216 Ų216134 Ų13482%0.81573%0.732SS**PPolyproline II helixtrans-61.2126.4179.9-66.1-177.7-174.51732.1109.4S610 E614S610-R612 PolarHBondContact O-N 3.37Å; R612-E614 HydrophobicContact CB-CG 4.41Å; R612-E614 PolarHBondContact O-N 3.49Å
613Y32.1Very low39.4Very low223 Ų223134.5 Ų134.588%0.87574%0.743SS**  trans-74.182.5160.6-160.8-91.3000107.5P611P611-Y613 PolarHBondContact O-N 3.19Å
614E31.1Very low38.6Very low152 Ų152133.5 Ų133.571%0.7175%0.746SS**  trans-70.2139.9163.8-73.5-154.2168.100109.2R612R612-E614 HydrophobicContact CB-CG 4.41Å; R612-E614 PolarHBondContact O-N 3.49Å
615Q37.6Very low38.3Very low177 Ų177138.4 Ų138.483%0.82777%0.768SS**  trans-72.3140.5-178.5-66.2174.6-67.600110.4
616D37.1Very low38Very low153 Ų153136.8 Ų136.882%0.81877%0.766SS**  trans66.385.7147.7-150.719000117.4
617S39.9Very low37.4Very low120 Ų120132.3 Ų132.384%0.83976%0.764SS**  trans-158104.9147.2-82.70000109.6H619S617-H619 PolarHBondContact O-N 3.15Å; S617-H619 VanDerWaalsContact O-N 3.08Å
618G49.5Very low37.4Very low75 Ų75132.5 Ų132.577%0.77376%0.757SS**  trans-71.2100.7175.400000111.5
619H36.1Very low37.4Very low182 Ų182130.9 Ų130.984%0.84375%0.745SS**  trans-150.1142.5161.3-108.2-79.1000111.8S617 S621S617-H619 PolarHBondContact O-N 3.15Å; S617-H619 VanDerWaalsContact O-N 3.08Å; H619-S621 PolarHBondContact O-N 2.82Å
620D47.4Very low37.8Very low151 Ų151131.3 Ų131.381%0.80774%0.742SS**  trans-62.4119.8174.9176.516000111.4
621S41.5Very low38.4Very low94 Ų94131 Ų13166%0.65774%0.74SS**  trans-162.993.5168-78.90000111.2H619H619-S621 PolarHBondContact O-N 2.82Å
622G44.6Very low39.4Very low79 Ų79129 Ų12981%0.81472%0.721SS**  trans-90104.9167.300000112
623S40.5Very low40.8Very low94 Ų94119.4 Ų119.466%0.65769%0.687SS**  trans-159.14.6168.952.40000117.5
624E36.1Very low42.6Very low168 Ų168109.6 Ų109.679%0.78565%0.648SS**G310 helixtrans-91.8-23-162.8-55.5-163.6-137.300115.6A626E624-A626 PolarHBondContact O-N 2.81Å
625D37.3Very low45Very low151 Ų151103.5 Ų103.581%0.80762%0.622SS**G310 helixtrans-69.7-10.2178.4-74.8-19.5000114.3C627D625-C627 PolarHBondContact O-N 2.86Å
626A34.4Very low47.3Very low92 Ų9296.3 Ų96.376%0.7659%0.589SS**G310 helixtrans-78.8-9.9-166.200000115.4E624E624-A626 PolarHBondContact O-N 2.81Å
627C31.8Very low49.7Very low104 Ų10489 Ų8970%0.70355%0.55SS*.G310 helixtrans-105-6.9-170.8-1530000115.1D625D625-C627 PolarHBondContact O-N 2.86Å
628F36Very low51.9Low157 Ų15784.7 Ų84.769%0.68952%0.518SS*.SBendtrans-103.2-2.1-168.5-126.1-87.8000116.2Q632F628-Q632 PolarHBondContact O-NE2 3Å; F628-Q632 VanDerWaalsContact O-NE2 3.1Å
629D41Very low53.6Low71 Ų7181.1 Ų81.138%0.3848%0.482SS..SBendtrans-100.8-13.9-177.2-158.657.8000114.2R692D629-R692 IonicContact OD2-CZ 2.94Å; D629-R692 IonicContact OD2-NH1 3.73Å; D629-R692 PolarHBondContact OD2-NH1 3.19Å; D629-R692 IonicContact OD2-NH2 2.82Å; D629-R692 PolarHBondContact OD2-NH2 2.76Å
630S38.2Very low55.7Low99 Ų9972.5 Ų72.569%0.69244%0.442SS*.SBendtrans-79.2-18.9-179.656.10000114
631S45.9Very low57.2Low78 Ų7871 Ų7155%0.54543%0.432SS..SBendtrans-103.4-4.6-174.457.40000114.7
632Q56.9Low59.1Low73 Ų7374.1 Ų74.134%0.34143%0.433SS..  trans-69.9143.7-176.4-59.6-168.222.100111.8K597 F628 F634K597-Q632 PolarHBondContact NZ-O 3.25Å; F628-Q632 PolarHBondContact O-NE2 3Å; F628-Q632 VanDerWaalsContact O-NE2 3.1Å; Q632-F634 PolarHBondContact O-N 2.83Å
633P60.9Low61Low15 Ų1575.2 Ų75.210%0.09742%0.416CS..SBendtrans-66.6-19175.7-19.729.7000114.7A593 S594 K597 W601A593-P633 WeakPolarHBondContact CA-O 3.35Å; S594-P633 PolarHBondContact N-O 3.48Å; S594-P633 VanDerWaalsContact N-O 3.12Å; K597-P633 HydrophobicContact CB-CB 3.56Å; K597-P633 HydrophobicContact CB-CG 4.02Å; W601-P633 HydrophobicContact CB-CG 3.68Å; W601-P633 HydrophobicContact CD2-CG 4.34Å; W601-P633 HydrophobicContact CG-CG 3.64Å
634F71.4Confident63.1Low16 Ų1670.8 Ų70.87%0.0738%0.384CS..EExtended strand (participates in β ladder)trans-118.7138.4-162.2-50.4-91.2000111.3Y563 V592 A593 L598 W601 Q632 L636 A703Y563-F634 HydrophobicContact CD1-CD1 4.15Å; Y563-F634 HydrophobicContact CD1-CD2 4.19Å; Y563-F634 AromaticContact CD1-CE1 3.72Å; Y563-F634 HydrophobicContact CD1-CE1 3.72Å; Y563-F634 AromaticContact CD1-CE2 3.74Å; Y563-F634 HydrophobicContact CD1-CE2 3.74Å; Y563-F634 HydrophobicContact CD1-CG 4.4Å; Y563-F634 AromaticContact CD1-CZ 3.5Å; Y563-F634 HydrophobicContact CD1-CZ 3.5Å; Y563-F634 HydrophobicContact CE1-CD1 4.3Å; Y563-F634 AromaticContact CE1-CD2 3.71Å; Y563-F634 HydrophobicContact CE1-CD2 3.71Å; Y563-F634 HydrophobicContact CE1-CE1 4.22Å; Y563-F634 AromaticContact CE1-CE2 3.59Å; Y563-F634 HydrophobicContact CE1-CE2 3.59Å; Y563-F634 HydrophobicContact CE1-CG 4.1Å; Y563-F634 AromaticContact CE1-CZ 3.88Å; Y563-F634 HydrophobicContact CE1-CZ 3.88Å; Y563-F634 HydrophobicContact CG-CZ 4.26Å; V592-F634 CarbonylContact O-C 3.51Å; V592-F634 WeakPolarHBondContact O-CA 3.46Å; A593-F634 HydrophobicContact CB-CD1 3.51Å; A593-F634 HydrophobicContact CB-CE1 3.74Å; A593-F634 HydrophobicContact CB-CG 4.41Å; L598-F634 HydrophobicContact CD2-CE1 3.9Å; L598-F634 HydrophobicContact CD2-CZ 3.94Å; W601-F634 AromaticContact CD2-CE2 3.86Å; W601-F634 HydrophobicContact CD2-CE2 3.86Å; W601-F634 HydrophobicContact CD2-CZ 4.23Å; W601-F634 AromaticContact CE3-CE2 3.86Å; W601-F634 HydrophobicContact CE3-CE2 3.86Å; W601-F634 AromaticContact CE3-CZ 3.75Å; W601-F634 HydrophobicContact CE3-CZ 3.75Å; W601-F634 HydrophobicContact CG-CE2 4.49Å; W601-F634 HydrophobicContact CH2-CE2 4.31Å; W601-F634 HydrophobicContact CH2-CZ 4.42Å; W601-F634 HydrophobicContact CZ2-CE2 4.26Å; W601-F634 HydrophobicContact CZ3-CE2 4.09Å; W601-F634 AromaticContact CZ3-CZ 3.86Å; W601-F634 HydrophobicContact CZ3-CZ 3.86Å; Q632-F634 PolarHBondContact O-N 2.83Å; F634-L636 HydrophobicContact CB-CD1 3.76Å; F634-L636 HydrophobicContact CB-CD2 4.01Å; F634-L636 HydrophobicContact CB-CG 3.62Å; F634-L636 HydrophobicContact CD1-CD1 4.48Å; F634-L636 HydrophobicContact CG-CD1 4.22Å; F634-A703 HydrophobicContact CD1-CB 3.82Å; F634-A703 HydrophobicContact CE1-CB 4.19Å
635T81.9Confident65.3Low25 Ų2566.1 Ų66.115%0.15336%0.362CS..EExtended strand (participates in β ladder)trans-108.299.6163.5-63.40000108G591 V592 V678 R692 V694G591-T635 WeakPolarHBondContact CA-O 3.45Å; V592-T635 PolarHBondContact N-O 3.24Å; V592-T635 PolarHBondContact O-N 3.24Å; T635-V678 HydrophobicContact CG2-CG1 3.7Å; T635-R692 HydrophobicContact CG2-CB 4.33Å; T635-R692 HydrophobicContact CG2-CG 4.32Å; T635-V694 HydrophobicContact CG2-CG1 3.77Å; T635-V694 WeakPolarHBondContact OG1-CG1 3.49Å
636L84.6Confident67.5Low25 Ų2561.2 Ų61.213%0.13134%0.335CS..EExtended strand (participates in β ladder)trans-123.7146.9-174-47.4172.8000111.6Y563 K589 V590 F634 A703Y563-L636 HydrophobicContact CE1-CD1 4.12Å; K589-L636 HydrophobicContact CB-CB 3.94Å; K589-L636 HydrophobicContact CB-CD1 3.72Å; K589-L636 HydrophobicContact CB-CG 4.39Å; K589-L636 HydrophobicContact CD-CD1 4.12Å; V590-L636 CarbonylContact O-C 3.49Å; V590-L636 VanDerWaalsContact O-CA 3.25Å; V590-L636 WeakPolarHBondContact O-CA 3.29Å; F634-L636 HydrophobicContact CB-CD1 3.76Å; F634-L636 HydrophobicContact CB-CD2 4.01Å; F634-L636 HydrophobicContact CB-CG 3.62Å; F634-L636 HydrophobicContact CD1-CD1 4.48Å; F634-L636 HydrophobicContact CG-CD1 4.22Å; L636-A703 HydrophobicContact CD2-CB 4.17Å
637V86.8Confident69.4Low0 Ų058.4 Ų58.40%031%0.309CS..EExtended strand (participates in β ladder)trans-99.2155.5162-63.60000109.7K589 V590 I639 F644 P647 F680 Y690K589-V637 WeakPolarHBondContact CA-O 3.3Å; V590-V637 HydrophobicContact CG2-CG2 3.79Å; V590-V637 PolarHBondContact N-O 3.09Å; V590-V637 PolarHBondContact O-N 3.38Å; V637-I639 HydrophobicContact CG2-CD1 3.99Å; V637-F644 HydrophobicContact CB-CE2 4.09Å; V637-F644 HydrophobicContact CB-CZ 3.96Å; V637-F644 HydrophobicContact CG1-CZ 4.02Å; V637-F644 HydrophobicContact CG2-CE2 3.67Å; V637-F644 HydrophobicContact CG2-CZ 3.95Å; V637-P647 HydrophobicContact CG1-CG 4.21Å; V637-F680 HydrophobicContact CB-CD1 4.4Å; V637-F680 HydrophobicContact CB-CE1 4.34Å; V637-F680 HydrophobicContact CG1-CD1 4.01Å; V637-F680 HydrophobicContact CG1-CD2 3.68Å; V637-F680 HydrophobicContact CG1-CE1 3.98Å; V637-F680 HydrophobicContact CG1-CE2 3.65Å; V637-F680 HydrophobicContact CG1-CG 3.86Å; V637-F680 HydrophobicContact CG1-CZ 3.8Å; V637-F680 HydrophobicContact CG2-CD1 3.48Å; V637-F680 VanDerWaalsContact CG2-CD1 3.48Å; V637-F680 HydrophobicContact CG2-CE1 3.56Å; V637-F680 HydrophobicContact CG2-CG 4.07Å; V637-F680 HydrophobicContact CG2-CZ 4.21Å; V637-Y690 HydrophobicContact CG1-CD1 3.58Å; V637-Y690 HydrophobicContact CG1-CE1 4.19Å; V637-Y690 HydrophobicContact CG1-CG 4.47Å
638T86.9Confident70.9Confident29 Ų2960.9 Ų60.918%0.17831%0.308CS..EExtended strand (participates in β ladder)trans-107.9132-177.9-57.60000110.5L587 V588 K589 F645L587-T638 HydrophobicContact CD1-CG2 3.76Å; L587-T638 HydrophobicContact CD2-CG2 3.82Å; L587-T638 HydrophobicContact CG-CG2 3.61Å; V588-T638 WeakPolarHBondContact O-CA 3.43Å; K589-T638 HydrophobicContact CG-CG2 4.42Å; T638-F645 HydrophobicContact CG2-CD2 4.27Å; T638-F645 PolarHBondContact O-N 2.67Å
639I86.4Confident71.8Confident0 Ų056.1 Ų56.10%029%0.294CS..EExtended strand (participates in β ladder)trans-131.6135-179.7-56.2115000108.7V581 V588 V590 V637 K643 F644 M663 I667V581-I639 HydrophobicContact CB-CG2 4.29Å; V581-I639 HydrophobicContact CG1-CG2 4.17Å; V581-I639 HydrophobicContact CG2-CB 4.49Å; V581-I639 HydrophobicContact CG2-CG2 4.26Å; V588-I639 PolarHBondContact N-O 3.41Å; V588-I639 PolarHBondContact O-N 3.4Å; V590-I639 HydrophobicContact CB-CD1 4.33Å; V590-I639 HydrophobicContact CG1-CD1 3.94Å; V590-I639 HydrophobicContact CG2-CD1 3.52Å; V637-I639 HydrophobicContact CG2-CD1 3.99Å; I639-K643 WeakPolarHBondContact CA-O 3.28Å; I639-F644 HydrophobicContact CD1-CD2 4.44Å; I639-F644 HydrophobicContact CG1-CD2 3.69Å; I639-F644 HydrophobicContact CG1-CE2 4.28Å; I639-M663 HydrophobicContact CG2-CB 4.45Å; I639-M663 HydrophobicContact CG2-CG 3.79Å; I639-M663 HydrophobicContact CG2-SD 3.76Å; I639-I667 HydrophobicContact CB-CD1 4.3Å; I639-I667 HydrophobicContact CD1-CD1 3.36Å; I639-I667 HydrophobicContact CG1-CD1 3.4Å; I639-I667 VanDerWaalsContact CG1-CD1 3.4Å; I639-I667 HydrophobicContact CG2-CD1 4.1Å
640G79.4Confident72.1Confident1 Ų158.2 Ų58.21%0.0131%0.312CS..EExtended strand (participates in β ladder)trans166.2164.9-17900000111.5Y586 K642 K643Y586-G640 CarbonylContact O-C 3.58Å; Y586-G640 VanDerWaalsContact O-CA 3.23Å; Y586-G640 WeakPolarHBondContact O-CA 3.34Å; G640-K642 PolarHBondContact O-N 3.43Å; G640-K642 VanDerWaalsContact O-N 3.1Å; G640-K643 PolarHBondContact N-O 3.48Å; G640-K643 PolarHBondContact O-N 3.45Å; G640-K643 VanDerWaalsContact O-O 3.11Å
641M79.1Confident72.4Confident121 Ų12159.5 Ų59.560%0.59632%0.315SS*.THydrogen-bonded Turntrans53.134.5-179.7-47.9174.971.600113.1S585 Y586 K643S585-M641 PolarHBondContact O-N 3.41Å; Y586-M641 HydrophobicContact CE2-SD 4.4Å; Y586-M641 WeakPolarHBondContact O-CG 3.32Å; Y586-M641 PolarHBondContact O-N 3.35Å; M641-K643 VanDerWaalsContact C-N 3.25Å; M641-K643 PolarHBondContact O-N 3.41Å
642K80.3Confident72.2Confident158 Ų15858.9 Ų58.969%0.68731%0.311SS*.THydrogen-bonded Turntrans59.924.8-173.2-51.9-173.3179-173.60115.4G640 M663G640-K642 PolarHBondContact O-N 3.43Å; G640-K642 VanDerWaalsContact O-N 3.1Å; K642-M663 WeakPolarHBondContact O-CB 3.48Å; K642-M663 PolarHBondContact O-N 3.22Å; K642-M663 VanDerWaalsContact O-N 3.09Å
643K84.4Confident71.4Confident103 Ų10360.9 Ų60.945%0.44833%0.333SS..EExtended strand (participates in β ladder)trans-128.8147.7-178.6-72.2168173-178.10112I639 G640 M641 F645 V660 L661I639-K643 WeakPolarHBondContact CA-O 3.28Å; G640-K643 PolarHBondContact N-O 3.48Å; G640-K643 PolarHBondContact O-N 3.45Å; G640-K643 VanDerWaalsContact O-O 3.11Å; M641-K643 VanDerWaalsContact C-N 3.25Å; M641-K643 PolarHBondContact O-N 3.41Å; K643-F645 HydrophobicContact CB-CD2 4.31Å; K643-F645 HydrophobicContact CB-CE1 4.43Å; K643-F645 HydrophobicContact CB-CE2 3.61Å; K643-F645 HydrophobicContact CB-CZ 3.69Å; K643-F645 HydrophobicContact CD-CE1 4.46Å; K643-F645 HydrophobicContact CD-CZ 3.95Å; K643-F645 HydrophobicContact CG-CZ 4.47Å; K643-V660 HydrophobicContact CB-CG1 3.84Å; K643-V660 HydrophobicContact CD-CG1 3.7Å; K643-V660 HydrophobicContact CG-CG1 3.72Å; K643-L661 WeakPolarHBondContact CA-O 3.19Å
644F85.1Confident70.7Confident0 Ų066.9 Ų66.90%036%0.364CS..EExtended strand (participates in β ladder)trans-107.9127167.8176.9-81.7000108.6V637 I639 I646 V660 L661 I667 F680 L689V637-F644 HydrophobicContact CB-CE2 4.09Å; V637-F644 HydrophobicContact CB-CZ 3.96Å; V637-F644 HydrophobicContact CG1-CZ 4.02Å; V637-F644 HydrophobicContact CG2-CE2 3.67Å; V637-F644 HydrophobicContact CG2-CZ 3.95Å; I639-F644 HydrophobicContact CD1-CD2 4.44Å; I639-F644 HydrophobicContact CG1-CD2 3.69Å; I639-F644 HydrophobicContact CG1-CE2 4.28Å; F644-I646 HydrophobicContact CD1-CG1 4.21Å; F644-I646 HydrophobicContact CE1-CG1 3.87Å; F644-V660 WeakPolarHBondContact O-CA 3.45Å; F644-L661 HydrophobicContact CB-CB 4.24Å; F644-L661 HydrophobicContact CD1-CB 4.36Å; F644-L661 HydrophobicContact CD1-CD1 4.26Å; F644-L661 PolarHBondContact N-O 3.25Å; F644-L661 PolarHBondContact O-N 3.08Å; F644-I667 HydrophobicContact CD2-CD1 4.25Å; F644-F680 HydrophobicContact CZ-CB 4.31Å; F644-L689 HydrophobicContact CD2-CD1 4.29Å; F644-L689 HydrophobicContact CE1-CB 4.16Å; F644-L689 HydrophobicContact CE2-CD1 4.15Å; F644-L689 HydrophobicContact CZ-CB 4.18Å; F644-L689 HydrophobicContact CZ-CD1 4.29Å
645F83.6Confident69.2Low71 Ų7172 Ų7231%0.31139%0.388SS..EExtended strand (participates in β ladder)trans-110.3118.4-174.1-61.8-92.2000111T638 K643 P647 V660T638-F645 HydrophobicContact CG2-CD2 4.27Å; T638-F645 PolarHBondContact O-N 2.67Å; K643-F645 HydrophobicContact CB-CD2 4.31Å; K643-F645 HydrophobicContact CB-CE1 4.43Å; K643-F645 HydrophobicContact CB-CE2 3.61Å; K643-F645 HydrophobicContact CB-CZ 3.69Å; K643-F645 HydrophobicContact CD-CE1 4.46Å; K643-F645 HydrophobicContact CD-CZ 3.95Å; K643-F645 HydrophobicContact CG-CZ 4.47Å; F645-P647 WeakPolarHBondContact O-CD 3.36Å; F645-V660 HydrophobicContact CD1-CG1 4.45Å; F645-V660 HydrophobicContact CD1-CG2 3.88Å; F645-V660 HydrophobicContact CE1-CG1 4.24Å; F645-V660 HydrophobicContact CE1-CG2 4.04Å
646I81.7Confident67.5Low47 Ų4776.6 Ų76.624%0.24142%0.419CS..PPolyproline II helixtrans-77.3123.7176.9-66.2169.5000109.5F644 R659 L661 Y690F644-I646 HydrophobicContact CD1-CG1 4.21Å; F644-I646 HydrophobicContact CE1-CG1 3.87Å; I646-R659 PolarHBondContact N-O 3.31Å; I646-L661 HydrophobicContact CD1-CD1 4.16Å; I646-L661 HydrophobicContact CD1-CG 4.31Å; I646-Y690 HydrophobicContact CG2-CD2 3.57Å; I646-Y690 HydrophobicContact CG2-CE2 3.8Å; I646-Y690 HydrophobicContact CG2-CG 4.26Å
647P75.3Confident65.8Low33 Ų3383.4 Ų83.421%0.21445%0.45CS..PPolyproline II helixtrans-59.6144.1176.4-24.834.9000113.2V637 F645 Y690V637-P647 HydrophobicContact CG1-CG 4.21Å; F645-P647 WeakPolarHBondContact O-CD 3.36Å; P647-Y690 HydrophobicContact CB-CE1 4.49Å; P647-Y690 HydrophobicContact CG-CE1 3.92Å
648K64.1Low64.4Low157 Ų15789.8 Ų89.868%0.68348%0.484SS*.PPolyproline II helixtrans-69.3130.7173.4-66178.5-176.8172.70109.8
649S54.8Low63.7Low56 Ų5694.2 Ų94.239%0.39250%0.498SS..PPolyproline II helixtrans-79.7139.4167.5-177.80000110.3T651S649-T651 PolarHBondContact O-N 3.45Å; S649-T651 PolarHBondContact OG-N 2.86Å; S649-T651 PolarHBondContact OG-OG1 3.07Å; S649-T651 VanDerWaalsContact OG-OG1 3.09Å
650P47Very low63.5Low116 Ų11697.2 Ų97.275%0.75352%0.516SS*.THydrogen-bonded Turntrans-70.4-8174.428.5-34.6000114.1
651T44.9Very low63.6Low126 Ų12699.4 Ų99.477%0.77353%0.527SS*.THydrogen-bonded Turntrans-115.60.1-169.549.40000116.5S649S649-T651 PolarHBondContact O-N 3.45Å; S649-T651 PolarHBondContact OG-N 2.86Å; S649-T651 PolarHBondContact OG-OG1 3.07Å; S649-T651 VanDerWaalsContact OG-OG1 3.09Å
652S40.8Very low63.8Low64 Ų6498.9 Ų98.945%0.44853%0.532SS..  trans-121.9100.5179.851.40000113.1
653S41.1Very low63.9Low116 Ų11693.3 Ų93.381%0.81151%0.509SS*.SBendtrans-82.8-6.9-177.454.50000115.4
654N45Very low63.8Low141 Ų14189.2 Ų89.275%0.75449%0.494SS*.  trans-146.798-179.8-79.2-49.9000111.7
655E39.3Very low63.4Low122 Ų12293.4 Ų93.457%0.5752%0.519SS*.  trans-157.7112.3165.3-94.4-55.8150.400108.7R659E655-R659 PolarHBondContact O-NH2 3.48Å
656P48Very low63.6Low123 Ų12390.1 Ų90.180%0.79951%0.505SS*.  trans-113.364.1-176.341-30.9000113.5
657E48.8Very low64Low167 Ų16788 Ų8878%0.7849%0.494SS*.SBendtrans-122.9158.3165.1-73.2-167.2162.500111.9R659E657-R659 WeakPolarHBondContact O-CG 3.47Å; E657-R659 PolarHBondContact O-N 3.08Å
658N57.3Low64.7Low134 Ų13486.4 Ų86.472%0.71748%0.484SS*.  trans-49.195.4-161.7-77.9-39.1000115.3V660N658-V660 PolarHBondContact O-N 2.93Å; N658-V660 VanDerWaalsContact O-N 3.14Å
659R71.9Confident66.1Low123 Ų12378.9 Ų78.946%0.46445%0.451SS..SBendtrans-70.3-4174.5-56.8-176-173.3178.90.4114.3I646 E655 E657I646-R659 PolarHBondContact N-O 3.31Å; E655-R659 PolarHBondContact O-NH2 3.48Å; E657-R659 WeakPolarHBondContact O-CG 3.47Å; E657-R659 PolarHBondContact O-N 3.08Å
660V80.7Confident67.9Low62 Ų6277.1 Ų77.138%0.37644%0.436SS..EExtended strand (participates in β ladder)trans-123.2111.8177.1-177.70000107.1K643 F644 F645 N658K643-V660 HydrophobicContact CB-CG1 3.84Å; K643-V660 HydrophobicContact CD-CG1 3.7Å; K643-V660 HydrophobicContact CG-CG1 3.72Å; F644-V660 WeakPolarHBondContact O-CA 3.45Å; F645-V660 HydrophobicContact CD1-CG1 4.45Å; F645-V660 HydrophobicContact CD1-CG2 3.88Å; F645-V660 HydrophobicContact CE1-CG1 4.24Å; F645-V660 HydrophobicContact CE1-CG2 4.04Å; N658-V660 PolarHBondContact O-N 2.93Å; N658-V660 VanDerWaalsContact O-N 3.14Å
661L83.2Confident70Confident47 Ų4771.6 Ų71.625%0.24640%0.401CS..EExtended strand (participates in β ladder)trans-99.5157.9176.7-60-179.6000109.5K643 F644 I646 L689K643-L661 WeakPolarHBondContact CA-O 3.19Å; F644-L661 HydrophobicContact CB-CB 4.24Å; F644-L661 HydrophobicContact CD1-CB 4.36Å; F644-L661 HydrophobicContact CD1-CD1 4.26Å; F644-L661 PolarHBondContact N-O 3.25Å; F644-L661 PolarHBondContact O-N 3.08Å; I646-L661 HydrophobicContact CD1-CD1 4.16Å; I646-L661 HydrophobicContact CD1-CG 4.31Å; L661-L689 HydrophobicContact CD1-CB 4.29Å; L661-L689 HydrophobicContact CD1-CD2 4.04Å
662P83.5Confident72.3Confident110 Ų11066 Ų6671%0.71437%0.366SS*.EExtended strand (participates in β ladder)trans-57.2142.7164.727-34.8000109.5P664P662-P664 WeakPolarHBondContact O-CD 3.43Å
663M81.8Confident74.5Confident41 Ų4163.8 Ų63.820%0.20235%0.35CS..PPolyproline II helixtrans-65.4121.5173.1168.8174.5156.700109.6V581 I639 K642V581-M663 HydrophobicContact CB-CE 3.93Å; V581-M663 HydrophobicContact CG1-CE 4.02Å; V581-M663 WeakPolarHBondContact O-CE 3.42Å; I639-M663 HydrophobicContact CG2-CB 4.45Å; I639-M663 HydrophobicContact CG2-CG 3.79Å; I639-M663 HydrophobicContact CG2-SD 3.76Å; K642-M663 WeakPolarHBondContact O-CB 3.48Å; K642-M663 PolarHBondContact O-N 3.22Å; K642-M663 VanDerWaalsContact O-N 3.09Å
664P81.4Confident76.8Confident18 Ų1863.5 Ų63.512%0.11734%0.34CS..PPolyproline II helixtrans-70.9164.9172.533.9-37.9000110.5P662 I667 D682 L689P662-P664 WeakPolarHBondContact O-CD 3.43Å; P664-I667 HydrophobicContact CG-CD1 4.08Å; P664-I667 HydrophobicContact CG-CG1 3.52Å; P664-D682 HydrophobicContact CB-CB 4.09Å; P664-L689 HydrophobicContact CG-CD1 4.23Å
665T77.8Confident78.8Confident88 Ų8863.4 Ų63.454%0.5433%0.332SS..SBendtrans-75-33.3-176.179.10000112.4D684T665-D684 WeakPolarHBondContact CB-OD2 3.41Å; T665-D684 WeakPolarHBondContact CG2-OD2 3.32Å; T665-D684 PolarHBondContact N-OD2 3.47Å; T665-D684 VanDerWaalsContact OG1-CG 3.25Å; T665-D684 PolarHBondContact OG1-OD1 3.21Å; T665-D684 VanDerWaalsContact OG1-OD1 3.13Å; T665-D684 PolarHBondContact OG1-OD2 3.35Å
666S86.9Confident81.1Confident1 Ų158.2 Ų58.21%0.00731%0.311CS..SBendtrans-138.3158168.1177.40000110.2C579 T683 E715C579-S666 PolarHBondContact O-OG 2.9Å; S666-T683 VanDerWaalsContact C-OG1 3.27Å; S666-T683 WeakPolarHBondContact CB-OG1 3.33Å; S666-T683 PolarHBondContact O-OG1 3.32Å; S666-T683 VanDerWaalsContact O-OG1 3.11Å; S666-E715 WeakPolarHBondContact CB-OE2 3.36Å; S666-E715 PolarHBondContact OG-OE2 2.82Å
667I89.9Confident83.1Confident2 Ų255.2 Ų55.21%0.0129%0.286CS..EExtended strand (participates in β ladder)trans-126.1121.7-172.6-64.8174000108.9A578 C579 V581 V590 I639 F644 P664 I669A578-I667 WeakPolarHBondContact CA-O 3.42Å; C579-I667 PolarHBondContact N-O 3.04Å; C579-I667 PolarHBondContact O-N 3.27Å; V581-I667 HydrophobicContact CG2-CD1 4.46Å; V590-I667 HydrophobicContact CG2-CG2 4.18Å; I639-I667 HydrophobicContact CB-CD1 4.3Å; I639-I667 HydrophobicContact CD1-CD1 3.36Å; I639-I667 HydrophobicContact CG1-CD1 3.4Å; I639-I667 VanDerWaalsContact CG1-CD1 3.4Å; I639-I667 HydrophobicContact CG2-CD1 4.1Å; F644-I667 HydrophobicContact CD2-CD1 4.25Å; P664-I667 HydrophobicContact CG-CD1 4.08Å; P664-I667 HydrophobicContact CG-CG1 3.52Å; I667-I669 HydrophobicContact CG2-CD1 4.15Å
668G90.4Very high85.2Confident0 Ų047.3 Ų47.30%025%0.249CC..EExtended strand (participates in β ladder)trans-89.7134.1173.800000110.6W577 F680 Y681W577-G668 CarbonylContact O-C 3.57Å; W577-G668 WeakPolarHBondContact O-CA 2.75Å; G668-F680 CarbonylContact O-C 3.6Å; G668-F680 WeakPolarHBondContact O-CA 3.31Å; G668-Y681 PolarHBondContact N-O 3.27Å; G668-Y681 PolarHBondContact O-N 2.92Å
669I92.9Very high86.8Confident0 Ų040.9 Ų40.90%022%0.215CC..EExtended strand (participates in β ladder)trans-114.3123.1170.4-58.483.4000107.1F576 W577 V590 V592 I667 V678 F680F576-I669 CarbonylContact C-O 3.54Å; F576-I669 VanDerWaalsContact CA-O 3.31Å; F576-I669 WeakPolarHBondContact CA-O 3.49Å; W577-I669 HydrophobicContact CD2-CB 4.16Å; W577-I669 HydrophobicContact CH2-CB 4.43Å; W577-I669 HydrophobicContact CH2-CG2 3.82Å; W577-I669 HydrophobicContact CZ2-CB 3.8Å; W577-I669 HydrophobicContact CZ2-CG2 3.44Å; W577-I669 VanDerWaalsContact CZ2-CG2 3.44Å; W577-I669 PolarHBondContact N-O 3.31Å; W577-I669 PolarHBondContact O-N 3.03Å; V590-I669 HydrophobicContact CG2-CD1 4.18Å; V590-I669 HydrophobicContact CG2-CG1 4.45Å; V592-I669 HydrophobicContact CG1-CG2 4.43Å; I667-I669 HydrophobicContact CG2-CD1 4.15Å; I669-V678 HydrophobicContact CG2-CG2 3.76Å; I669-F680 HydrophobicContact CG1-CD1 3.89Å; I669-F680 HydrophobicContact CG1-CE1 3.9Å; I669-F680 HydrophobicContact CG2-CE1 4.29Å
670F92.7Very high87.7Confident19 Ų1935 Ų358%0.08319%0.192CC..EExtended strand (participates in β ladder)trans-109.1124.9175.6175.5-125.8000109.4P510 A511 K574 H575 F576 D672 V678 S679 Y681P510-F670 HydrophobicContact CB-CD2 4.34Å; P510-F670 HydrophobicContact CB-CE2 4.37Å; P510-F670 HydrophobicContact CB-CG 4.48Å; P510-F670 HydrophobicContact CB-CZ 4.49Å; P510-F670 HydrophobicContact CG-CB 4.19Å; P510-F670 HydrophobicContact CG-CD1 4.29Å; P510-F670 HydrophobicContact CG-CD2 3.79Å; P510-F670 HydrophobicContact CG-CE2 4.3Å; P510-F670 HydrophobicContact CG-CG 3.81Å; A511-F670 HydrophobicContact CB-CD2 4.09Å; A511-F670 HydrophobicContact CB-CE2 3.54Å; K574-F670 HydrophobicContact CB-CE2 4.05Å; K574-F670 HydrophobicContact CB-CZ 4.4Å; K574-F670 HydrophobicContact CD-CZ 4.36Å; K574-F670 HydrophobicContact CG-CZ 4.43Å; H575-F670 WeakPolarHBondContact O-CA 3.28Å; H575-F670 WeakPolarHBondContact O-CD2 3.2Å; F576-F670 HydrophobicContact CD2-CB 4.06Å; F670-D672 HydrophobicContact CE1-CB 3.95Å; F670-D672 HydrophobicContact CZ-CB 3.82Å; F670-V678 CarbonylContact O-C 3.58Å; F670-V678 VanDerWaalsContact O-CA 3.3Å; F670-V678 WeakPolarHBondContact O-CA 3.26Å; F670-V678 WeakPolarHBondContact O-CG2 3.33Å; F670-S679 PolarHBondContact N-O 3.35Å; F670-S679 PolarHBondContact O-N 3.4Å; F670-Y681 HydrophobicContact CB-CD2 4.06Å; F670-Y681 HydrophobicContact CB-CE2 3.63Å; F670-Y681 HydrophobicContact CD1-CE2 4.27Å; F670-Y681 HydrophobicContact CG-CE2 4.26Å
671L92.4Very high88.1Confident0 Ų033.5 Ų33.50%018%0.18CC..EExtended strand (participates in β ladder)trans-115.7115174.9-176.865.6000109.7I570 K574 H575 W577 V592 V678 V694 M700I570-L671 HydrophobicContact CB-CD2 4.28Å; I570-L671 HydrophobicContact CD1-CD2 3.96Å; I570-L671 HydrophobicContact CG2-CD2 4.12Å; K574-L671 WeakPolarHBondContact CA-O 3.47Å; H575-L671 PolarHBondContact N-O 3.28Å; H575-L671 PolarHBondContact O-N 2.92Å; W577-L671 HydrophobicContact CH2-CB 4.05Å; W577-L671 HydrophobicContact CH2-CD2 4.45Å; W577-L671 HydrophobicContact CZ3-CB 3.96Å; V592-L671 HydrophobicContact CG1-CD1 4.44Å; V592-L671 HydrophobicContact CG1-CD2 4.38Å; L671-V678 HydrophobicContact CD1-CB 4.21Å; L671-V678 HydrophobicContact CD1-CG2 4.44Å; L671-V694 HydrophobicContact CD1-CG2 4.02Å; L671-M700 HydrophobicContact CD2-CB 3.72Å; L671-M700 HydrophobicContact CD2-CG 4.25Å
672D92.1Very high88.4Confident8 Ų832.1 Ų32.14%0.04317%0.173CC..EExtended strand (participates in β ladder)trans-100.592.3170.2-168.5-29.3000107.8K574 F670 D674 K675 G676 K677K574-D672 VanDerWaalsContact CE-OD2 3.28Å; K574-D672 WeakPolarHBondContact CE-OD2 3.4Å; K574-D672 HydrophobicContact CG-CB 4.4Å; K574-D672 IonicContact NZ-OD2 2.58Å; F670-D672 HydrophobicContact CE1-CB 3.95Å; F670-D672 HydrophobicContact CZ-CB 3.82Å; D672-D674 PolarHBondContact O-N 3.42Å; D672-D674 PolarHBondContact OD1-N 2.92Å; D672-K675 HydrophobicContact CB-CB 4.32Å; D672-K675 PolarHBondContact O-N 3.44Å; D672-K675 PolarHBondContact OD1-N 3.43Å; D672-K675 WeakPolarHBondContact OD2-CD 3.26Å; D672-G676 PolarHBondContact O-N 3.1Å; D672-K677 PolarHBondContact N-O 3.23Å; D672-K677 PolarHBondContact O-N 2.92Å
673C88.4Confident88.3Confident18 Ų1827.8 Ų27.812%0.12214%0.144CC..THydrogen-bonded Turntrans-66.2-29.8178.2-65.60000111.8G573 K675 G676 C696G573-C673 VanDerWaalsContact O-CB 3.3Å; G573-C673 WeakPolarHBondContact O-CB 3.22Å; G573-C673 PolarHBondContact O-N 3.49Å; C673-K675 VanDerWaalsContact C-N 3.3Å; C673-K675 PolarHBondContact O-N 2.92Å; C673-G676 PolarHBondContact O-N 3.28Å; C673-C696 HydrophobicContact CB-CB 4.19Å
674D88Confident88.1Confident110 Ų11029.9 Ų29.959%0.58816%0.156SC*.THydrogen-bonded Turntrans-71.1-28.4-178-49.5-31.9000111.5G573 D672G573-D674 WeakPolarHBondContact CA-OD1 3.4Å; G573-D674 PolarHBondContact N-OD1 2.81Å; D672-D674 PolarHBondContact O-N 3.42Å; D672-D674 PolarHBondContact OD1-N 2.92Å
675K87.2Confident87.9Confident139 Ų13934.9 Ų34.960%0.60418%0.182SC*.THydrogen-bonded Turntrans-102.4-2.8173.5-63.8-174.6-173.5172.20114.8D672 C673 K677 Q693D672-K675 HydrophobicContact CB-CB 4.32Å; D672-K675 PolarHBondContact O-N 3.44Å; D672-K675 PolarHBondContact OD1-N 3.43Å; D672-K675 WeakPolarHBondContact OD2-CD 3.26Å; C673-K675 VanDerWaalsContact C-N 3.3Å; C673-K675 PolarHBondContact O-N 2.92Å; K675-K677 HydrophobicContact CB-CB 4.43Å; K675-Q693 PolarHBondContact O-NE2 3.17Å
676G88.1Confident88.2Confident12 Ų1231.7 Ų31.712%0.12416%0.161CC..THydrogen-bonded Turntrans60.150.2-175.700000113D672 C673 Q693 V694D672-G676 PolarHBondContact O-N 3.1Å; C673-G676 PolarHBondContact O-N 3.28Å; G676-Q693 WeakPolarHBondContact O-CG 3.28Å; G676-Q693 PolarHBondContact O-NE2 3.21Å; G676-V694 CarbonylContact C-O 3.52Å; G676-V694 VanDerWaalsContact C-O 3.23Å; G676-V694 VanDerWaalsContact CA-O 3.3Å; G676-V694 WeakPolarHBondContact CA-O 3.12Å; G676-V694 PolarHBondContact O-N 3.32Å
677K90.6Very high88.2Confident61 Ų6138.1 Ų38.127%0.26519%0.189SC..EExtended strand (participates in β ladder)trans-140.7140.6-169.1-150.9-179.3-164.2-154.50112.4D672 K675 E691D672-K677 PolarHBondContact N-O 3.23Å; D672-K677 PolarHBondContact O-N 2.92Å; K675-K677 HydrophobicContact CB-CB 4.43Å; K677-E691 HydrophobicContact CD-CG 4.12Å; K677-E691 WeakPolarHBondContact CD-OE1 3.49Å; K677-E691 VanDerWaalsContact CE-OE1 3.25Å; K677-E691 WeakPolarHBondContact CE-OE1 3.5Å; K677-E691 WeakPolarHBondContact CE-OE2 3.47Å; K677-E691 HydrophobicContact CG-CG 4.15Å; K677-E691 IonicContact NZ-OE1 2.81Å; K677-E691 PolarHBondContact NZ-OE1 2.91Å; K677-E691 IonicContact NZ-OE2 2.68Å; K677-E691 PolarHBondContact NZ-OE2 3.2Å
678V91.6Very high88.1Confident0 Ų040.7 Ų40.70%021%0.207CC..EExtended strand (participates in β ladder)trans-122.8133.3172.771.60000110.3V592 T635 I669 F670 L671 F680 E691 R692 V694V592-V678 HydrophobicContact CG1-CG2 4.19Å; V592-V678 HydrophobicContact CG2-CB 4.36Å; V592-V678 HydrophobicContact CG2-CG1 4.41Å; V592-V678 HydrophobicContact CG2-CG2 4.17Å; T635-V678 HydrophobicContact CG2-CG1 3.7Å; I669-V678 HydrophobicContact CG2-CG2 3.76Å; F670-V678 CarbonylContact O-C 3.58Å; F670-V678 VanDerWaalsContact O-CA 3.3Å; F670-V678 WeakPolarHBondContact O-CA 3.26Å; F670-V678 WeakPolarHBondContact O-CG2 3.33Å; L671-V678 HydrophobicContact CD1-CB 4.21Å; L671-V678 HydrophobicContact CD1-CG2 4.44Å; V678-F680 HydrophobicContact CG1-CE2 4.02Å; V678-F680 HydrophobicContact CG1-CZ 4.4Å; V678-F680 HydrophobicContact CG2-CE2 4.28Å; V678-F680 HydrophobicContact CG2-CZ 4.22Å; V678-E691 WeakPolarHBondContact O-CA 3.39Å; V678-R692 HydrophobicContact CG1-CB 4.43Å; V678-R692 PolarHBondContact N-O 3.13Å; V678-R692 PolarHBondContact O-N 3.5Å; V678-V694 HydrophobicContact CB-CG1 4.22Å; V678-V694 HydrophobicContact CB-CG2 4.18Å; V678-V694 HydrophobicContact CG1-CG1 3.58Å; V678-V694 HydrophobicContact CG1-CG2 4.39Å
679S91.3Very high88Confident0 Ų042.2 Ų42.20%022%0.215CC..EExtended strand (participates in β ladder)trans-130.5140.2-176-33.60000109.4F670 Y690 E691F670-S679 PolarHBondContact N-O 3.35Å; F670-S679 PolarHBondContact O-N 3.4Å; S679-Y690 CarbonylContact C-O 3.55Å; S679-Y690 WeakPolarHBondContact CA-O 3.47Å; S679-E691 WeakPolarHBondContact OG-CG 3.39Å; S679-E691 PolarHBondContact OG-OE1 2.84Å
680F91.1Very high87.7Confident0 Ų044 Ų440%022%0.222CC..EExtended strand (participates in β ladder)trans-112.9130.9-175.5-62-92.4000109.2V590 V637 F644 G668 I669 V678 L689 Y690V590-F680 HydrophobicContact CG2-CE1 4.45Å; V590-F680 WeakPolarHBondContact O-CE1 3.27Å; V637-F680 HydrophobicContact CB-CD1 4.4Å; V637-F680 HydrophobicContact CB-CE1 4.34Å; V637-F680 HydrophobicContact CG1-CD1 4.01Å; V637-F680 HydrophobicContact CG1-CD2 3.68Å; V637-F680 HydrophobicContact CG1-CE1 3.98Å; V637-F680 HydrophobicContact CG1-CE2 3.65Å; V637-F680 HydrophobicContact CG1-CG 3.86Å; V637-F680 HydrophobicContact CG1-CZ 3.8Å; V637-F680 HydrophobicContact CG2-CD1 3.48Å; V637-F680 VanDerWaalsContact CG2-CD1 3.48Å; V637-F680 HydrophobicContact CG2-CE1 3.56Å; V637-F680 HydrophobicContact CG2-CG 4.07Å; V637-F680 HydrophobicContact CG2-CZ 4.21Å; F644-F680 HydrophobicContact CZ-CB 4.31Å; G668-F680 CarbonylContact O-C 3.6Å; G668-F680 WeakPolarHBondContact O-CA 3.31Å; I669-F680 HydrophobicContact CG1-CD1 3.89Å; I669-F680 HydrophobicContact CG1-CE1 3.9Å; I669-F680 HydrophobicContact CG2-CE1 4.29Å; V678-F680 HydrophobicContact CG1-CE2 4.02Å; V678-F680 HydrophobicContact CG1-CZ 4.4Å; V678-F680 HydrophobicContact CG2-CE2 4.28Å; V678-F680 HydrophobicContact CG2-CZ 4.22Å; F680-L689 PolarHBondContact O-N 2.75Å; F680-Y690 AromaticContact CD2-CD1 3.78Å; F680-Y690 HydrophobicContact CD2-CD1 3.78Å; F680-Y690 HydrophobicContact CE2-CD1 4.08Å; F680-Y690 PolarHBondContact N-O 3.18Å; F680-Y690 PolarHBondContact O-N 3.48Å
681Y89.8Confident87.4Confident30 Ų3047 Ų4712%0.11824%0.236CC..EExtended strand (participates in β ladder)trans-121.9143.7-173.4-71.2-100000111.2P510 F576 G668 F670 M686 K687 C688P510-Y681 HydrophobicContact CG-CE2 4.2Å; F576-Y681 HydrophobicContact CE2-CD2 4.21Å; F576-Y681 HydrophobicContact CE2-CG 4.43Å; G668-Y681 PolarHBondContact N-O 3.27Å; G668-Y681 PolarHBondContact O-N 2.92Å; F670-Y681 HydrophobicContact CB-CD2 4.06Å; F670-Y681 HydrophobicContact CB-CE2 3.63Å; F670-Y681 HydrophobicContact CD1-CE2 4.27Å; F670-Y681 HydrophobicContact CG-CE2 4.26Å; Y681-M686 HydrophobicContact CD1-CE 4.22Å; Y681-M686 HydrophobicContact CG-CE 4.5Å; Y681-K687 CarbonylContact C-O 3.59Å; Y681-K687 VanDerWaalsContact CA-O 3.3Å; Y681-K687 WeakPolarHBondContact CA-O 3.49Å; Y681-C688 HydrophobicContact CD1-CB 4.07Å; Y681-C688 HydrophobicContact CE1-CB 3.72Å
682D88.4Confident87.1Confident18 Ų1850 Ų5010%0.09625%0.247CC..EExtended strand (participates in β ladder)trans-73.1117.2153163.626.5000107P664 D684 N685 M686 K687 L689P664-D682 HydrophobicContact CB-CB 4.09Å; D682-D684 VanDerWaalsContact C-N 3.31Å; D682-D684 WeakPolarHBondContact OD1-CB 3.48Å; D682-D684 PolarHBondContact OD1-N 3.08Å; D682-N685 PolarHBondContact OD2-ND2 2.97Å; D682-M686 CarbonylContact O-C 3.59Å; D682-M686 WeakPolarHBondContact O-CA 3.18Å; D682-M686 PolarHBondContact O-N 2.87Å; D682-K687 HydrophobicContact CB-CB 4.47Å; D682-K687 PolarHBondContact N-O 2.79Å; D682-K687 PolarHBondContact O-N 3.18Å; D682-L689 HydrophobicContact CB-CD1 4.06Å; D682-L689 HydrophobicContact CB-CD2 3.95Å; D682-L689 HydrophobicContact CB-CG 4.12Å
683T82.6Confident86.8Confident18 Ų1855.5 Ų55.511%0.1127%0.273CS..THydrogen-bonded Turntrans-68.9-30.1-177.8440000113F576 A578 S666 N685 M686F576-T683 HydrophobicContact CZ-CG2 4.31Å; A578-T683 HydrophobicContact CB-CG2 3.84Å; S666-T683 VanDerWaalsContact C-OG1 3.27Å; S666-T683 WeakPolarHBondContact CB-OG1 3.33Å; S666-T683 PolarHBondContact O-OG1 3.32Å; S666-T683 VanDerWaalsContact O-OG1 3.11Å; T683-N685 VanDerWaalsContact C-N 3.3Å; T683-N685 PolarHBondContact O-N 3.36Å; T683-M686 PolarHBondContact O-N 2.8Å
684D77.5Confident86.7Confident85 Ų8555.4 Ų55.446%0.45527%0.272SS..THydrogen-bonded Turntrans-71.1-34.6-168.3-54.3-17000109.9T665 D682T665-D684 WeakPolarHBondContact CB-OD2 3.41Å; T665-D684 WeakPolarHBondContact CG2-OD2 3.32Å; T665-D684 PolarHBondContact N-OD2 3.47Å; T665-D684 VanDerWaalsContact OG1-CG 3.25Å; T665-D684 PolarHBondContact OG1-OD1 3.21Å; T665-D684 VanDerWaalsContact OG1-OD1 3.13Å; T665-D684 PolarHBondContact OG1-OD2 3.35Å; D682-D684 VanDerWaalsContact C-N 3.31Å; D682-D684 WeakPolarHBondContact OD1-CB 3.48Å; D682-D684 PolarHBondContact OD1-N 3.08Å
685N76.1Confident86.4Confident124 Ų12455 Ų5566%0.66327%0.27SS*.THydrogen-bonded Turntrans-111.53.3175.9-57.7-82.8000113.2D682 T683 K687D682-N685 PolarHBondContact OD2-ND2 2.97Å; T683-N685 VanDerWaalsContact C-N 3.3Å; T683-N685 PolarHBondContact O-N 3.36Å; N685-K687 HydrophobicContact CB-CB 4.27Å; N685-K687 PolarHBondContact O-N 2.93Å; N685-K687 VanDerWaalsContact O-N 3.12Å
686M85.3Confident86.3Confident20 Ų2049.5 Ų49.510%0.09925%0.248CC..THydrogen-bonded Turntrans44.139.3-168.5-73.4-60.4-50.900114H507 P509 F576 Y681 D682 T683H507-M686 HydrophobicContact CB-CB 3.95Å; H507-M686 HydrophobicContact CB-CG 4.12Å; H507-M686 VanDerWaalsContact ND1-CB 3.3Å; H507-M686 WeakPolarHBondContact ND1-CB 3.49Å; P509-M686 HydrophobicContact CB-CE 4.43Å; F576-M686 HydrophobicContact CE2-CE 3.96Å; F576-M686 HydrophobicContact CZ-CE 3.93Å; F576-M686 HydrophobicContact CZ-SD 4.1Å; Y681-M686 HydrophobicContact CD1-CE 4.22Å; Y681-M686 HydrophobicContact CG-CE 4.5Å; D682-M686 CarbonylContact O-C 3.59Å; D682-M686 WeakPolarHBondContact O-CA 3.18Å; D682-M686 PolarHBondContact O-N 2.87Å; T683-M686 PolarHBondContact O-N 2.8Å
687K85Confident86.1Confident136 Ų13653.4 Ų53.459%0.59127%0.274SS*.EExtended strand (participates in β ladder)trans-94.1125.1-175.7-178.8-178.7176.5-176.70110.7Y681 D682 N685 L689Y681-K687 CarbonylContact C-O 3.59Å; Y681-K687 VanDerWaalsContact CA-O 3.3Å; Y681-K687 WeakPolarHBondContact CA-O 3.49Å; D682-K687 HydrophobicContact CB-CB 4.47Å; D682-K687 PolarHBondContact N-O 2.79Å; D682-K687 PolarHBondContact O-N 3.18Å; N685-K687 HydrophobicContact CB-CB 4.27Å; N685-K687 PolarHBondContact O-N 2.93Å; N685-K687 VanDerWaalsContact O-N 3.12Å; K687-L689 PolarHBondContact O-N 3.32Å
688C88Confident85.9Confident57 Ų5754 Ų5439%0.38528%0.277SS..EExtended strand (participates in β ladder)trans-65.1125.5173-169.80000110.3Y681Y681-C688 HydrophobicContact CD1-CB 4.07Å; Y681-C688 HydrophobicContact CE1-CB 3.72Å
689L88.2Confident85.8Confident32 Ų3256.2 Ų56.217%0.16829%0.291CS..EExtended strand (participates in β ladder)trans-100.9-41.2-178.6-57.8179.3000112.2F644 L661 P664 F680 D682 K687F644-L689 HydrophobicContact CD2-CD1 4.29Å; F644-L689 HydrophobicContact CE1-CB 4.16Å; F644-L689 HydrophobicContact CE2-CD1 4.15Å; F644-L689 HydrophobicContact CZ-CB 4.18Å; F644-L689 HydrophobicContact CZ-CD1 4.29Å; L661-L689 HydrophobicContact CD1-CB 4.29Å; L661-L689 HydrophobicContact CD1-CD2 4.04Å; P664-L689 HydrophobicContact CG-CD1 4.23Å; F680-L689 PolarHBondContact O-N 2.75Å; D682-L689 HydrophobicContact CB-CD1 4.06Å; D682-L689 HydrophobicContact CB-CD2 3.95Å; D682-L689 HydrophobicContact CB-CG 4.12Å; K687-L689 PolarHBondContact O-N 3.32Å
690Y87.1Confident85.8Confident37 Ų3756.4 Ų56.415%0.14529%0.292CS..EExtended strand (participates in β ladder)trans-155.8155-177.5179.3-115.9000111V637 I646 P647 S679 F680 R692V637-Y690 HydrophobicContact CG1-CD1 3.58Å; V637-Y690 HydrophobicContact CG1-CE1 4.19Å; V637-Y690 HydrophobicContact CG1-CG 4.47Å; I646-Y690 HydrophobicContact CG2-CD2 3.57Å; I646-Y690 HydrophobicContact CG2-CE2 3.8Å; I646-Y690 HydrophobicContact CG2-CG 4.26Å; P647-Y690 HydrophobicContact CB-CE1 4.49Å; P647-Y690 HydrophobicContact CG-CE1 3.92Å; S679-Y690 CarbonylContact C-O 3.55Å; S679-Y690 WeakPolarHBondContact CA-O 3.47Å; F680-Y690 AromaticContact CD2-CD1 3.78Å; F680-Y690 HydrophobicContact CD2-CD1 3.78Å; F680-Y690 HydrophobicContact CE2-CD1 4.08Å; F680-Y690 PolarHBondContact N-O 3.18Å; F680-Y690 PolarHBondContact O-N 3.48Å; Y690-R692 HydrophobicContact CE1-CB 3.92Å; Y690-R692 WeakPolarHBondContact OH-CD 3.44Å
691E87.7Confident85.7Confident82 Ų8259.3 Ų59.338%0.38330%0.303SS..EExtended strand (participates in β ladder)trans-152138.2-176.9-172171.5-136.600111.2K677 V678 S679K677-E691 HydrophobicContact CD-CG 4.12Å; K677-E691 WeakPolarHBondContact CD-OE1 3.49Å; K677-E691 VanDerWaalsContact CE-OE1 3.25Å; K677-E691 WeakPolarHBondContact CE-OE1 3.5Å; K677-E691 WeakPolarHBondContact CE-OE2 3.47Å; K677-E691 HydrophobicContact CG-CG 4.15Å; K677-E691 IonicContact NZ-OE1 2.81Å; K677-E691 PolarHBondContact NZ-OE1 2.91Å; K677-E691 IonicContact NZ-OE2 2.68Å; K677-E691 PolarHBondContact NZ-OE2 3.2Å; V678-E691 WeakPolarHBondContact O-CA 3.39Å; S679-E691 WeakPolarHBondContact OG-CG 3.39Å; S679-E691 PolarHBondContact OG-OE1 2.84Å
692R85.4Confident85.9Confident63 Ų6357.9 Ų57.924%0.23830%0.298CS..EExtended strand (participates in β ladder)trans-143.1146.7-177-169.2168.6172.4166.31111.1D629 T635 V678 Y690D629-R692 IonicContact OD2-CZ 2.94Å; D629-R692 IonicContact OD2-NH1 3.73Å; D629-R692 PolarHBondContact OD2-NH1 3.19Å; D629-R692 IonicContact OD2-NH2 2.82Å; D629-R692 PolarHBondContact OD2-NH2 2.76Å; T635-R692 HydrophobicContact CG2-CB 4.33Å; T635-R692 HydrophobicContact CG2-CG 4.32Å; V678-R692 HydrophobicContact CG1-CB 4.43Å; V678-R692 PolarHBondContact N-O 3.13Å; V678-R692 PolarHBondContact O-N 3.5Å; Y690-R692 HydrophobicContact CE1-CB 3.92Å; Y690-R692 WeakPolarHBondContact OH-CD 3.44Å
693Q85.3Confident86Confident124 Ų12457 Ų5758%0.57929%0.293SS*.EExtended strand (participates in β ladder)trans-75.9139.5172.9-156.37015.100109.9K675 G676K675-Q693 PolarHBondContact O-NE2 3.17Å; G676-Q693 WeakPolarHBondContact O-CG 3.28Å; G676-Q693 PolarHBondContact O-NE2 3.21Å
694V85.8Confident86.3Confident15 Ų1556.2 Ų56.29%0.09129%0.288CS..  trans-136.4148.6-179.2-70.50000111.1V592 T635 L671 G676 V678 C696V592-V694 HydrophobicContact CG2-CG1 4.39Å; T635-V694 HydrophobicContact CG2-CG1 3.77Å; T635-V694 WeakPolarHBondContact OG1-CG1 3.49Å; L671-V694 HydrophobicContact CD1-CG2 4.02Å; G676-V694 CarbonylContact C-O 3.52Å; G676-V694 VanDerWaalsContact C-O 3.23Å; G676-V694 VanDerWaalsContact CA-O 3.3Å; G676-V694 WeakPolarHBondContact CA-O 3.12Å; G676-V694 PolarHBondContact O-N 3.32Å; V678-V694 HydrophobicContact CB-CG1 4.22Å; V678-V694 HydrophobicContact CB-CG2 4.18Å; V678-V694 HydrophobicContact CG1-CG1 3.58Å; V678-V694 HydrophobicContact CG1-CG2 4.39Å; V694-C696 PolarHBondContact O-N 2.74Å
695D83.4Confident86.7Confident103 Ų10352.1 Ų52.155%0.55127%0.266SS*.  trans-85.7110.2174.1-178.28.7000110.4S697D695-S697 WeakPolarHBondContact OD1-CB 3.06Å; D695-S697 PolarHBondContact OD1-N 3.23Å; D695-S697 PolarHBondContact OD1-OG 3.48Å
696C84.1Confident87.2Confident22 Ų2246.2 Ų46.215%0.14924%0.235CC..  trans-100.122.3178.1-63.50000112.7C673 V694 H698 M700C673-C696 HydrophobicContact CB-CB 4.19Å; V694-C696 PolarHBondContact O-N 2.74Å; C696-H698 PolarHBondContact O-N 3.4Å; C696-M700 HydrophobicContact CB-CG 4.4Å
697S84.6Confident86.9Confident95 Ų9546.8 Ų46.866%0.66424%0.237SC*.SBendtrans-64.4-20.8176.2-58.50000113.5D695D695-S697 WeakPolarHBondContact OD1-CB 3.06Å; D695-S697 PolarHBondContact OD1-N 3.23Å; D695-S697 PolarHBondContact OD1-OG 3.48Å
698H85.6Confident86.5Confident74 Ų7440.6 Ų40.634%0.34321%0.212SC..SBendtrans-124.4167178.2-59.1-109.4000110.1D596 C696 M700D596-H698 HydrophobicContact CB-CB 4.25Å; D596-H698 IonicContact OD1-CE1 3.57Å; D596-H698 PolarHBondContact OD1-CE1 3.42Å; D596-H698 IonicContact OD1-CG 2.64Å; D596-H698 IonicContact OD1-ND1 3.35Å; D596-H698 PolarHBondContact OD1-ND1 3.1Å; D596-H698 IonicContact OD2-CE1 2.78Å; D596-H698 PolarHBondContact OD2-CE1 2.88Å; D596-H698 IonicContact OD2-ND1 3.99Å; D596-H698 IonicContact OD2-NE2 3.79Å; C696-H698 PolarHBondContact O-N 3.4Å; H698-M700 PolarHBondContact O-N 2.83Å
699T89.2Confident86Confident45 Ų4538.8 Ų38.828%0.27620%0.2SC..  trans-60.2126.2-179-52.80000111.2I570 S595 Y701I570-T699 CarbonylContact O-C 3.59Å; I570-T699 WeakPolarHBondContact O-CA 3.45Å; S595-T699 VanDerWaalsContact CB-O 3.27Å; S595-T699 WeakPolarHBondContact CB-O 3.44Å; S595-T699 PolarHBondContact N-O 2.94Å; S595-T699 PolarHBondContact OG-N 3.42Å; S595-T699 PolarHBondContact OG-O 3.01Å; T699-Y701 HydrophobicContact CG2-CD2 4.27Å; T699-Y701 HydrophobicContact CG2-CE2 3.64Å
700M91.2Very high85.8Confident5 Ų537.3 Ų37.33%0.02519%0.192CC..EExtended strand (participates in β ladder)trans-96.7135.6178.6-61.2-59.9-71.800110.5I570 V592 A593 L671 C696 H698I570-M700 PolarHBondContact N-O 3.14Å; I570-M700 PolarHBondContact O-N 3.43Å; V592-M700 HydrophobicContact CB-CE 3.95Å; V592-M700 HydrophobicContact CG2-CE 3.65Å; A593-M700 CarbonylContact O-C 3.54Å; A593-M700 VanDerWaalsContact O-CA 3.3Å; A593-M700 WeakPolarHBondContact O-CA 3.2Å; L671-M700 HydrophobicContact CD2-CB 3.72Å; L671-M700 HydrophobicContact CD2-CG 4.25Å; C696-M700 HydrophobicContact CB-CG 4.4Å; H698-M700 PolarHBondContact O-N 2.83Å
701Y90.7Very high85.8Confident61 Ų6135.6 Ų35.624%0.23919%0.186CC..EExtended strand (participates in β ladder)trans-115.3140.2178-72.8-95.1000110.4I565 G566 G569 V592 A593 L598 T699 A703I565-Y701 HydrophobicContact CD1-CD1 3.98Å; I565-Y701 HydrophobicContact CD1-CG 4.12Å; G566-Y701 WeakPolarHBondContact O-CD1 3.37Å; G569-Y701 VanDerWaalsContact CA-CE1 3.43Å; V592-Y701 CarbonylContact C-O 3.59Å; V592-Y701 VanDerWaalsContact CA-O 3.29Å; V592-Y701 WeakPolarHBondContact CA-O 3.39Å; A593-Y701 PolarHBondContact N-O 3.38Å; A593-Y701 PolarHBondContact O-N 3.42Å; L598-Y701 HydrophobicContact CD1-CD2 3.99Å; L598-Y701 HydrophobicContact CD1-CG 4.4Å; T699-Y701 HydrophobicContact CG2-CD2 4.27Å; T699-Y701 HydrophobicContact CG2-CE2 3.64Å; Y701-A703 PolarHBondContact O-N 3.24Å
702P92.3Very high85.9Confident0 Ų031.7 Ų31.70%017%0.167CC..EExtended strand (participates in β ladder)trans-54131162.1-23.234.5000109.4F514 F516 I565 G566 W577 F704F514-P702 HydrophobicContact CD1-CG 4.39Å; F514-P702 HydrophobicContact CE1-CG 3.97Å; F516-P702 HydrophobicContact CD1-CB 4.33Å; F516-P702 HydrophobicContact CD1-CG 3.74Å; F516-P702 HydrophobicContact CD2-CB 4.28Å; F516-P702 HydrophobicContact CD2-CG 4.26Å; F516-P702 HydrophobicContact CE1-CB 3.78Å; F516-P702 HydrophobicContact CE1-CG 3.59Å; F516-P702 HydrophobicContact CE2-CB 3.73Å; F516-P702 HydrophobicContact CE2-CG 4.13Å; F516-P702 HydrophobicContact CG-CG 4.07Å; F516-P702 HydrophobicContact CZ-CB 3.44Å; F516-P702 VanDerWaalsContact CZ-CB 3.44Å; F516-P702 HydrophobicContact CZ-CG 3.8Å; I565-P702 CarbonylContact C-O 3.44Å; I565-P702 VanDerWaalsContact CA-O 3.25Å; I565-P702 WeakPolarHBondContact CA-O 3.14Å; I565-P702 WeakPolarHBondContact CB-O 3.38Å; G566-P702 PolarHBondContact N-O 2.81Å; W577-P702 HydrophobicContact CD2-CG 4.39Å; W577-P702 HydrophobicContact CH2-CG 4.34Å; W577-P702 HydrophobicContact CZ2-CB 3.87Å; W577-P702 HydrophobicContact CZ2-CG 4Å; P702-F704 HydrophobicContact CB-CE2 3.94Å; P702-F704 HydrophobicContact CB-CZ 4.4Å
703A90.1Very high86.1Confident0 Ų030.5 Ų30.50%017%0.165CC..EExtended strand (participates in β ladder)trans-138.5140.1-171.200000112.3I565 V590 G591 A593 F634 L636 Y701I565-A703 HydrophobicContact CG2-CB 4.13Å; V590-A703 CarbonylContact C-O 3.52Å; G591-A703 CarbonylContact C-O 3.49Å; G591-A703 PolarHBondContact N-O 3.47Å; G591-A703 PolarHBondContact O-N 2.93Å; A593-A703 HydrophobicContact CB-CB 3.67Å; F634-A703 HydrophobicContact CD1-CB 3.82Å; F634-A703 HydrophobicContact CE1-CB 4.19Å; L636-A703 HydrophobicContact CD2-CB 4.17Å; Y701-A703 PolarHBondContact O-N 3.24Å
704F89.8Confident86.2Confident0 Ų025.3 Ų25.30%014%0.141CC..EExtended strand (participates in β ladder)trans-138.5148.7-170.8-55.1-89.8000109.5F516 F518 Y563 I564 C579 K589 V590 P702 I712 L714F516-F704 AromaticContact CE2-CE2 3.85Å; F516-F704 HydrophobicContact CE2-CE2 3.85Å; F516-F704 HydrophobicContact CE2-CZ 4.22Å; F516-F704 AromaticContact CZ-CE2 3.97Å; F516-F704 HydrophobicContact CZ-CE2 3.97Å; F516-F704 AromaticContact CZ-CZ 3.91Å; F516-F704 HydrophobicContact CZ-CZ 3.91Å; F518-F704 HydrophobicContact CD1-CD2 4.24Å; F518-F704 HydrophobicContact CD1-CE2 4.49Å; F518-F704 AromaticContact CE1-CD2 3.56Å; F518-F704 HydrophobicContact CE1-CD2 3.56Å; F518-F704 AromaticContact CE1-CE2 3.78Å; F518-F704 HydrophobicContact CE1-CE2 3.78Å; F518-F704 AromaticContact CE1-CG 3.96Å; F518-F704 HydrophobicContact CE1-CG 3.96Å; F518-F704 HydrophobicContact CE1-CZ 4.34Å; Y563-F704 CarbonylContact C-O 3.58Å; Y563-F704 WeakPolarHBondContact CA-O 3.42Å; I564-F704 HydrophobicContact CG2-CB 3.94Å; I564-F704 PolarHBondContact N-O 3.25Å; I564-F704 PolarHBondContact O-N 3.38Å; I564-F704 VanDerWaalsContact O-O 3.11Å; C579-F704 HydrophobicContact CB-CE1 4.33Å; K589-F704 CarbonylContact O-C 3.52Å; K589-F704 VanDerWaalsContact O-CA 3.27Å; K589-F704 WeakPolarHBondContact O-CA 3.32Å; V590-F704 HydrophobicContact CB-CD1 4.05Å; V590-F704 HydrophobicContact CB-CE1 4.21Å; V590-F704 HydrophobicContact CG1-CD1 3.88Å; V590-F704 HydrophobicContact CG1-CE1 4.25Å; P702-F704 HydrophobicContact CB-CE2 3.94Å; P702-F704 HydrophobicContact CB-CZ 4.4Å; F704-I712 HydrophobicContact CB-CD1 3.78Å; F704-I712 HydrophobicContact CD1-CD1 3.74Å; F704-I712 HydrophobicContact CD1-CG2 4.28Å; F704-I712 HydrophobicContact CE1-CG2 4.35Å; F704-I712 HydrophobicContact CG-CD1 4.09Å; F704-L714 HydrophobicContact CE2-CD2 4.5Å; F704-L714 HydrophobicContact CZ-CD2 3.94Å
705A86.2Confident86Confident0 Ų025.9 Ų25.90%014%0.143CC..EExtended strand (participates in β ladder)trans-141.5137.5169.500000110.8L561 D562 Y563 V588 K589L561-A705 HydrophobicContact CB-CB 4.39Å; L561-A705 HydrophobicContact CD2-CB 3.95Å; D562-A705 CarbonylContact O-C 3.59Å; D562-A705 VanDerWaalsContact O-CA 3.24Å; D562-A705 WeakPolarHBondContact O-CA 3.44Å; Y563-A705 HydrophobicContact CD1-CB 3.61Å; Y563-A705 HydrophobicContact CD2-CB 4.09Å; Y563-A705 HydrophobicContact CE1-CB 3.77Å; Y563-A705 HydrophobicContact CE2-CB 4.26Å; Y563-A705 HydrophobicContact CG-CB 3.8Å; V588-A705 CarbonylContact C-O 3.08Å; V588-A705 WeakPolarHBondContact CA-O 3.45Å; K589-A705 HydrophobicContact CB-CB 4.17Å; K589-A705 PolarHBondContact N-O 2.95Å; K589-A705 PolarHBondContact O-N 2.8Å
706L85.6Confident85.3Confident0 Ų025.4 Ų25.40%014%0.137CC..EExtended strand (participates in β ladder)trans-114.8143.1-178.5-57.594.9000109.6L529 V538 D562 I564 V588 G710 I712L529-L706 HydrophobicContact CD2-CB 4.46Å; L529-L706 HydrophobicContact CD2-CD1 3.97Å; V538-L706 HydrophobicContact CG1-CD1 4.13Å; V538-L706 HydrophobicContact CG1-CD2 4.44Å; V538-L706 HydrophobicContact CG2-CD1 4.42Å; D562-L706 PolarHBondContact N-O 3.19Å; D562-L706 PolarHBondContact O-N 3.31Å; I564-L706 HydrophobicContact CG2-CD1 4.25Å; V588-L706 HydrophobicContact CG2-CG 4.45Å; L706-G710 WeakPolarHBondContact CD2-O 3.36Å; L706-I712 HydrophobicContact CD1-CD1 4.13Å; L706-I712 HydrophobicContact CD2-CD1 4.2Å; L706-I712 HydrophobicContact CD2-CG1 4.09Å; L706-I712 HydrophobicContact CG-CD1 4.08Å; L706-I712 HydrophobicContact CG-CG1 4.47Å
707M79.9Confident84.2Confident32 Ų3226 Ų2616%0.15814%0.141CC..EExtended strand (participates in β ladder)trans-132.7121.6174.4178.6-177.7-72.900110.1L561 Y586 L587L561-M707 HydrophobicContact CD1-CE 4.39Å; L561-M707 HydrophobicContact CD2-CB 3.84Å; L561-M707 HydrophobicContact CD2-CE 4Å; L561-M707 HydrophobicContact CG-CE 3.76Å; Y586-M707 HydrophobicContact CE1-SD 4.34Å; L587-M707 HydrophobicContact CB-CB 4.28Å; L587-M707 HydrophobicContact CD2-CB 4.22Å; L587-M707 PolarHBondContact O-N 3.19Å
708G75.9Confident83Confident5 Ų522.7 Ų22.75%0.05212%0.115CC..SBendtrans59.4-142-173.900000111.2S540 A542 G710S540-G708 WeakPolarHBondContact CB-O 3.33Å; S540-G708 PolarHBondContact OG-O 3.22Å; A542-G708 CarbonylContact O-C 3.56Å; A542-G708 WeakPolarHBondContact O-CA 3.31Å; G708-G710 PolarHBondContact O-N 3.08Å
709S77.6Confident81.4Confident20 Ų2022.4 Ų22.414%0.1412%0.119CC..SBendtrans-75.557.2-171.261.50000114.1A542 Y584 S585A542-S709 WeakPolarHBondContact O-CA 3.24Å; A542-S709 PolarHBondContact O-N 2.7Å; Y584-S709 WeakPolarHBondContact CD2-O 3.02Å; S585-S709 VanDerWaalsContact CA-O 3.3Å; S585-S709 WeakPolarHBondContact CA-O 3.39Å
710G83.5Confident79.1Confident1 Ų122.4 Ų22.41%0.0112%0.124CC..  trans-89.2147.8175.300000113.1E539 S540 L706 G708E539-G710 WeakPolarHBondContact CA-O 3.44Å; S540-G710 PolarHBondContact N-O 3.3Å; L706-G710 WeakPolarHBondContact CD2-O 3.36Å; G708-G710 PolarHBondContact O-N 3.08Å
711G87.5Confident76.7Confident0 Ų030 Ų300%016%0.156CC..EExtended strand (participates in β ladder)trans-141.1140.417100000111.8V538 E582 S585V538-G711 WeakPolarHBondContact O-CA 3.48Å; E582-G711 PolarHBondContact N-O 3.46Å; S585-G711 PolarHBondContact OG-N 2.95Å; S585-G711 PolarHBondContact OG-O 3.38Å
712I89.6Confident74.4Confident0 Ų033.5 Ų33.50%017%0.17CC..EExtended strand (participates in β ladder)trans-132.2133.3178.8-51171.2000109.1F518 R537 V538 C579 R580 V588 F704 L706F518-I712 HydrophobicContact CZ-CB 4.31Å; F518-I712 HydrophobicContact CZ-CG2 4.03Å; R537-I712 WeakPolarHBondContact CA-O 3.31Å; V538-I712 HydrophobicContact CG1-CB 4Å; V538-I712 HydrophobicContact CG1-CD1 4.35Å; V538-I712 HydrophobicContact CG1-CG1 4.48Å; V538-I712 PolarHBondContact N-O 2.81Å; V538-I712 PolarHBondContact O-N 2.74Å; C579-I712 HydrophobicContact CB-CG2 4.04Å; R580-I712 WeakPolarHBondContact O-CA 3.41Å; V588-I712 HydrophobicContact CG1-CD1 3.51Å; V588-I712 HydrophobicContact CG1-CG1 3.73Å; V588-I712 HydrophobicContact CG2-CG1 4.38Å; F704-I712 HydrophobicContact CB-CD1 3.78Å; F704-I712 HydrophobicContact CD1-CD1 3.74Å; F704-I712 HydrophobicContact CD1-CG2 4.28Å; F704-I712 HydrophobicContact CE1-CG2 4.35Å; F704-I712 HydrophobicContact CG-CD1 4.09Å; L706-I712 HydrophobicContact CD1-CD1 4.13Å; L706-I712 HydrophobicContact CD2-CD1 4.2Å; L706-I712 HydrophobicContact CD2-CG1 4.09Å; L706-I712 HydrophobicContact CG-CD1 4.08Å; L706-I712 HydrophobicContact CG-CG1 4.47Å
713Q90.3Very high72.1Confident39 Ų3935 Ų3518%0.18218%0.178CC..EExtended strand (participates in β ladder)trans-119.5125.7172177.973.45700108.4D536 C579 R580D536-Q713 PolarHBondContact O-NE2 3.38Å; D536-Q713 PolarHBondContact OD2-NE2 3Å; C579-Q713 CarbonylContact C-O 3.59Å; C579-Q713 WeakPolarHBondContact CA-O 3.44Å; R580-Q713 HydrophobicContact CB-CB 4.37Å; R580-Q713 PolarHBondContact N-O 3.32Å; R580-Q713 PolarHBondContact O-N 2.98Å
714L88.1Confident69.6Low15 Ų1541.4 Ų41.48%0.07921%0.208CC..EExtended strand (participates in β ladder)trans-70.6138.7169.1-59.1178.2000109F516 F518 D536 C579 F704F516-L714 HydrophobicContact CD2-CD1 4.02Å; F516-L714 HydrophobicContact CE2-CD1 3.63Å; F516-L714 HydrophobicContact CE2-CD2 3.81Å; F516-L714 HydrophobicContact CE2-CG 4.4Å; F516-L714 HydrophobicContact CZ-CD1 4.13Å; F516-L714 HydrophobicContact CZ-CD2 3.67Å; F518-L714 HydrophobicContact CD2-CD1 4.2Å; F518-L714 HydrophobicContact CD2-CG 4.39Å; F518-L714 HydrophobicContact CE1-CD2 4.27Å; F518-L714 HydrophobicContact CE2-CD1 3.99Å; F518-L714 HydrophobicContact CE2-CD2 4.24Å; F518-L714 HydrophobicContact CE2-CG 3.7Å; F518-L714 HydrophobicContact CZ-CD1 4.21Å; F518-L714 HydrophobicContact CZ-CD2 3.76Å; F518-L714 HydrophobicContact CZ-CG 3.75Å; D536-L714 PolarHBondContact O-N 2.85Å; C579-L714 HydrophobicContact CB-CD2 4.2Å; F704-L714 HydrophobicContact CE2-CD2 4.5Å; F704-L714 HydrophobicContact CZ-CD2 3.94Å
715E80.8Confident67.2Low27 Ų2750.7 Ų50.713%0.12624%0.244CC..PPolyproline II helixtrans-84.1121.1172.7-64.7-159.9118.200109.7K428 Y430 A578 R580 S666K428-E715 IonicContact NZ-OE1 2.76Å; K428-E715 PolarHBondContact NZ-OE1 3.31Å; K428-E715 IonicContact NZ-OE2 3Å; Y430-E715 PolarHBondContact OH-OE2 3.47Å; A578-E715 HydrophobicContact CB-CB 4.14Å; A578-E715 HydrophobicContact CB-CG 4.41Å; A578-E715 WeakPolarHBondContact CB-OE2 3.39Å; A578-E715 PolarHBondContact O-N 3.22Å; R580-E715 IonicContact NH2-OE1 3.29Å; S666-E715 WeakPolarHBondContact CB-OE2 3.36Å; S666-E715 PolarHBondContact OG-OE2 2.82Å
716E68.2Low64.8Low92 Ų9257.3 Ų57.343%0.4328%0.275SS..PPolyproline II helixtrans-64.4139.1-179.7-71-176.217200110.8K534 I718K534-E716 IonicContact NZ-OE1 2.83Å; K534-E716 PolarHBondContact NZ-OE1 3.4Å; E716-I718 PolarHBondContact O-N 3.25Å
717P62.7Low62.5Low36 Ų3663.3 Ų63.323%0.23430%0.303CS..PPolyproline II helixtrans-68.2130.4173.730.5-36.2000110.2T719P717-T719 HydrophobicContact CG-CG2 4.38Å; P717-T719 PolarHBondContact O-N 3.37Å
718I58.8Low60.1Low24 Ų2469 Ų6912%0.12333%0.334CS..  trans-61.8100.6171.6-61.8160.9000108.6K428 Y430 N432 L434 V475 E716K428-I718 HydrophobicContact CB-CD1 3.84Å; K428-I718 VanDerWaalsContact O-CD1 3.24Å; K428-I718 WeakPolarHBondContact O-CD1 3.45Å; Y430-I718 HydrophobicContact CD2-CD1 3.6Å; Y430-I718 HydrophobicContact CD2-CG1 3.86Å; Y430-I718 HydrophobicContact CE2-CD1 4.19Å; Y430-I718 HydrophobicContact CE2-CG1 4.45Å; N432-I718 HydrophobicContact CB-CG2 4.22Å; N432-I718 PolarHBondContact ND2-O 3.3Å; L434-I718 HydrophobicContact CB-CD1 3.78Å; L434-I718 HydrophobicContact CB-CG1 4.31Å; L434-I718 HydrophobicContact CB-CG2 3.93Å; V475-I718 HydrophobicContact CG1-CG2 4.12Å; V475-I718 HydrophobicContact CG2-CG2 4.25Å; E716-I718 PolarHBondContact O-N 3.25Å
719T50.9Low58Low68 Ų6877.8 Ų77.842%0.41739%0.386SS..  trans-103134.317454.40000109.1P717 K721 Y722P717-T719 HydrophobicContact CG-CG2 4.38Å; P717-T719 PolarHBondContact O-N 3.37Å; T719-K721 PolarHBondContact O-N 2.9Å; T719-Y722 PolarHBondContact O-N 3.24Å; T719-Y722 VanDerWaalsContact O-N 3.09Å
720A40.9Very low57Low46 Ų4680.7 Ų80.738%0.3840%0.399SS..G310 helixtrans-56.1-26.6-175.100000113.8Y722A720-Y722 PolarHBondContact O-N 3.24Å
721K40.9Very low55.6Low163 Ų16384.8 Ų84.871%0.70942%0.419SS*.G310 helixtrans-66.6-16.3179.2-66.8-170.6173-170.90115.4T719 L723T719-K721 PolarHBondContact O-N 2.9Å; K721-L723 VanDerWaalsContact C-N 3.33Å
722Y42.6Very low53.8Low136 Ų13689.6 Ų89.653%0.53344%0.442SS..G310 helixtrans-76.8-21.8-174.6-139.6-82.1000112.8T719 A720T719-Y722 PolarHBondContact O-N 3.24Å; T719-Y722 VanDerWaalsContact O-N 3.09Å; A720-Y722 PolarHBondContact O-N 3.24Å
723L43.8Very low51.7Low30 Ų3094.8 Ų94.816%0.15747%0.468CS..THydrogen-bonded Turntrans-104.4-18.1-175.8-79155000114.3L434 V475 K721 Y725 E726 E727L434-L723 HydrophobicContact CD1-CD1 3.51Å; L434-L723 HydrophobicContact CD2-CD1 4.25Å; L434-L723 HydrophobicContact CG-CD1 4.49Å; V475-L723 HydrophobicContact CG2-CD1 3.46Å; V475-L723 VanDerWaalsContact CG2-CD1 3.46Å; K721-L723 VanDerWaalsContact C-N 3.33Å; L723-Y725 PolarHBondContact O-N 3.34Å; L723-Y725 VanDerWaalsContact O-N 3.11Å; L723-E726 HydrophobicContact CD2-CB 4.43Å; L723-E726 WeakPolarHBondContact CD2-OE2 3.48Å; L723-E726 PolarHBondContact O-N 3.28Å; L723-E727 PolarHBondContact O-N 3.05Å
724E38.1Very low49.3Very low136 Ų13698.3 Ų98.364%0.63649%0.486SS*.THydrogen-bonded Turntrans-60.5-16.2166.6-69.3178.1157.200112.4
725Y39.3Very low46.7Very low195 Ų195103.9 Ų103.977%0.76551%0.513SS*.THydrogen-bonded Turntrans-92.7-12.1174.9-94.3-85.2000114.7L723L723-Y725 PolarHBondContact O-N 3.34Å; L723-Y725 VanDerWaalsContact O-N 3.11Å
726E36.7Very low44.3Very low138 Ų138109.4 Ų109.465%0.64554%0.541SS*.THydrogen-bonded Turntrans-101.9-14.2178.6-71.4-170.7157.400113L723 D728L723-E726 HydrophobicContact CD2-CB 4.43Å; L723-E726 WeakPolarHBondContact CD2-OE2 3.48Å; L723-E726 PolarHBondContact O-N 3.28Å; E726-D728 VanDerWaalsContact C-N 3.26Å; E726-D728 PolarHBondContact O-N 2.86Å
727E36.2Very low42.4Very low127 Ų127110.7 Ų110.759%0.59355%0.55SS*.THydrogen-bonded Turntrans-77.4-6.8171.6-69.4-174.1156.700113.4L723L723-E727 PolarHBondContact O-N 3.05Å
728D30.4Very low40.7Very low150 Ų150116.9 Ų116.980%0.80258%0.576SS**THydrogen-bonded Turntrans-118.219.7-170.4-115.2-2.6000114.2E726E726-D728 VanDerWaalsContact C-N 3.26Å; E726-D728 PolarHBondContact O-N 2.86Å
729V30.2Very low39.1Very low190 Ų190125.4 Ų125.4100%1.15262%0.617SS**  trans-122.70-178.2-179.40000113.4

Retrieved 729 of 729 residues in 453.8 ms (Link to these results)

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