A0A5K4ENU1_SCHMA Loading...

Actin-like protein

Actins are highly conserved proteins that are involved in various types of cell motility and are ubiquitously expressed in all eukaryotic cells.

AlphaFold DB , UniProt , Accession A0A5K4ENU1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 418 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
1M47.6Very low88.1Confident247 Ų24743.4 Ų43.4100%1.21727%0.265SS*.  0134.30-90.3177.8-106.500106.8
2A72.5Confident88.4Confident93 Ų9340.8 Ų40.877%0.76925%0.254SS*.PPolyproline II helixtrans-60144.717100000109.4
3S84.8Confident88.7Confident46 Ų4639.3 Ų39.332%0.32225%0.251SS..PPolyproline II helixtrans-61.4138.6173430000109.9T5 D96 H97S3-T5 PolarHBondContact O-N 3.32Å; S3-D96 WeakPolarHBondContact CB-O 3.43Å; S3-D96 PolarHBondContact OG-O 2.73Å; S3-H97 WeakPolarHBondContact CB-ND1 3.3Å
4P92Very high89.1Confident28 Ų2837.5 Ų37.518%0.18224%0.24CC..PPolyproline II helixtrans-62.9131.3179.726.5-35000110.9F19 T21 H97P4-F19 HydrophobicContact CB-CB 4.28Å; P4-F19 HydrophobicContact CB-CD1 3.97Å; P4-F19 HydrophobicContact CB-CG 4.45Å; P4-F19 HydrophobicContact CG-CD1 3.87Å; P4-F19 HydrophobicContact CG-CE1 4.32Å; P4-F19 HydrophobicContact CG-CG 4.43Å; P4-F19 WeakPolarHBondContact O-CD1 2.93Å; P4-T21 HydrophobicContact CB-CG2 4.01Å; P4-H97 PolarHBondContact O-ND1 3.39Å
5T95.4Very high89.6Confident12 Ų1235 Ų357%0.07422%0.224CC..PPolyproline II helixtrans-68.9135.9175.7-58.80000110.4S3 F19 S20 N98 I100 C387 F393S3-T5 PolarHBondContact O-N 3.32Å; T5-F19 CarbonylContact O-C 3.51Å; T5-F19 WeakPolarHBondContact O-CA 3.43Å; T5-S20 PolarHBondContact N-OG 3.46Å; T5-S20 PolarHBondContact O-N 3.3Å; T5-N98 HydrophobicContact CG2-CB 4.09Å; T5-I100 HydrophobicContact CG2-CD1 4.3Å; T5-I100 HydrophobicContact CG2-CG1 3.97Å; T5-C387 VanDerWaalsContact CG2-SG 3.59Å; T5-F393 HydrophobicContact CG2-CE2 3.95Å; T5-F393 HydrophobicContact CG2-CZ 4.01Å
6L96.2Very high90.1Very high9 Ų933.7 Ų33.75%0.04721%0.214CC..EExtended strand (participates in β ladder)trans-85.5131.6171.1-176.463.7000109.4I17 F19 L82 I85 F94 N98 L99 I100L6-I17 HydrophobicContact CD1-CD1 4.22Å; L6-I17 HydrophobicContact CD1-CG1 3.9Å; L6-I17 HydrophobicContact CD2-CD1 4.31Å; L6-I17 HydrophobicContact CG-CD1 4.47Å; L6-I17 HydrophobicContact CG-CG1 4.43Å; L6-F19 HydrophobicContact CB-CD1 4.27Å; L6-F19 HydrophobicContact CB-CE1 4.18Å; L6-F19 HydrophobicContact CD1-CD1 4.31Å; L6-F19 HydrophobicContact CD1-CD2 4.5Å; L6-F19 HydrophobicContact CD1-CE1 4.3Å; L6-F19 HydrophobicContact CD1-CG 4.42Å; L6-F19 HydrophobicContact CD1-CZ 4.4Å; L6-L82 HydrophobicContact CD2-CD2 3.69Å; L6-I85 HydrophobicContact CD1-CG2 4.26Å; L6-F94 HydrophobicContact CD2-CD1 4.48Å; L6-N98 PolarHBondContact N-O 3.24Å; L6-L99 HydrophobicContact CB-CD1 4.14Å; L6-L99 HydrophobicContact CD2-CD1 4.05Å; L6-L99 HydrophobicContact CG-CD1 3.98Å; L6-L99 CarbonylContact O-C 3.6Å; L6-L99 WeakPolarHBondContact O-CA 3.35Å; L6-I100 PolarHBondContact O-N 2.85Å
7I97.7Very high90.5Very high1 Ų131.7 Ų31.71%0.00520%0.201CC..EExtended strand (participates in β ladder)trans-113.2126.2175.1-56.295.1000108.4I17 G18 I100 W380 V384I7-I17 VanDerWaalsContact O-CA 3.29Å; I7-I17 WeakPolarHBondContact O-CA 3.19Å; I7-G18 PolarHBondContact N-O 2.83Å; I7-G18 PolarHBondContact O-N 3.02Å; I7-I100 HydrophobicContact CG1-CB 4.36Å; I7-I100 HydrophobicContact CG1-CD1 4.27Å; I7-I100 HydrophobicContact CG2-CB 4.44Å; I7-W380 HydrophobicContact CG2-CG 4.11Å; I7-W380 PolarHBondContact O-NE1 2.85Å; I7-V384 HydrophobicContact CD1-CG2 4.08Å
8L97.6Very high90.8Very high1 Ų130 Ų301%0.00519%0.191CC..EExtended strand (participates in β ladder)trans-126103.2179.5171.355.3000110.2M10 L15 I17 L78 L99 I100 V101 T102 F119L8-M10 HydrophobicContact CD2-CE 4Å; L8-M10 HydrophobicContact CG-CB 4.4Å; L8-M10 PolarHBondContact O-N 3.04Å; L8-L15 HydrophobicContact CD1-CB 4.25Å; L8-L15 HydrophobicContact CD1-CD2 4.37Å; L8-I17 HydrophobicContact CB-CD1 4.35Å; L8-I17 HydrophobicContact CB-CG1 4.3Å; L8-I17 HydrophobicContact CD1-CB 4Å; L8-I17 HydrophobicContact CD1-CD1 4.05Å; L8-I17 HydrophobicContact CD1-CG1 4.22Å; L8-L78 HydrophobicContact CD2-CD2 3.76Å; L8-L99 HydrophobicContact CB-CD1 3.96Å; L8-I100 PolarHBondContact N-O 2.83Å; L8-V101 HydrophobicContact CB-CG2 4.28Å; L8-V101 HydrophobicContact CD2-CG2 3.96Å; L8-V101 HydrophobicContact CG-CG2 4Å; L8-V101 VanDerWaalsContact O-CA 3.28Å; L8-V101 WeakPolarHBondContact O-CA 3.17Å; L8-T102 PolarHBondContact O-N 2.75Å; L8-F119 HydrophobicContact CD2-CE1 4.44Å; L8-F119 HydrophobicContact CD2-CZ 4.14Å
9D96.8Very high91.1Very high15 Ų1528.5 Ų28.58%0.0818%0.181CC..EExtended strand (participates in β ladder)trans-81.8104164.2179.430.5000109.7G11 L15 K16 T102D9-G11 VanDerWaalsContact C-N 3.31Å; D9-G11 PolarHBondContact O-N 3.44Å; D9-G11 VanDerWaalsContact O-N 3.09Å; D9-L15 WeakPolarHBondContact O-CA 3.33Å; D9-K16 HydrophobicContact CB-CB 4.11Å; D9-K16 HydrophobicContact CB-CD 4.36Å; D9-K16 PolarHBondContact N-O 3.23Å; D9-K16 PolarHBondContact O-N 2.87Å; D9-K16 WeakPolarHBondContact OD2-CD 3.39Å; D9-T102 VanDerWaalsContact CA-OG1 3.25Å; D9-T102 WeakPolarHBondContact CA-OG1 3.37Å; D9-T102 HydrophobicContact CB-CG2 4.21Å; D9-T102 PolarHBondContact OD1-OG1 3.14Å
10M95Very high91.3Very high8 Ų828.6 Ų28.64%0.03918%0.183CC..EExtended strand (participates in β ladder)trans-87.865.7-174.1-157.1-174.4-48.300111.9L8 L15 F63 I68 Q74 V101 T102 M115 F119L8-M10 HydrophobicContact CD2-CE 4Å; L8-M10 HydrophobicContact CG-CB 4.4Å; L8-M10 PolarHBondContact O-N 3.04Å; M10-L15 HydrophobicContact CB-CD2 4.35Å; M10-L15 HydrophobicContact CG-CD2 3.68Å; M10-F63 HydrophobicContact CG-CE2 4.37Å; M10-F63 HydrophobicContact CG-CZ 4.31Å; M10-F63 WeakPolarHBondContact O-CZ 3.22Å; M10-F63 HydrophobicContact SD-CZ 4.46Å; M10-I68 HydrophobicContact SD-CD1 3.65Å; M10-Q74 HydrophobicContact SD-CG 4.16Å; M10-V101 HydrophobicContact CB-CG2 4.35Å; M10-V101 HydrophobicContact CE-CG2 3.43Å; M10-V101 VanDerWaalsContact CE-CG2 3.43Å; M10-T102 PolarHBondContact N-OG1 3.38Å; M10-M115 HydrophobicContact CE-CE 4.04Å; M10-F119 HydrophobicContact CE-CE2 3.96Å; M10-F119 HydrophobicContact CE-CZ 3.67Å
11G93.1Very high91.4Very high17 Ų1732.1 Ų32.118%0.17520%0.204CC..  trans-71.1145.3178.700000113.4D9 G13 S14 N30D9-G11 VanDerWaalsContact C-N 3.31Å; D9-G11 PolarHBondContact O-N 3.44Å; D9-G11 VanDerWaalsContact O-N 3.09Å; G11-G13 PolarHBondContact O-N 2.95Å; G11-S14 VanDerWaalsContact CA-O 3.31Å; G11-S14 WeakPolarHBondContact CA-O 3.4Å; G11-S14 PolarHBondContact N-O 3.35Å; G11-N30 WeakPolarHBondContact O-CB 3.33Å; G11-N30 PolarHBondContact O-ND2 3.08Å
12G91.8Very high93.6Very high13 Ų1321.8 Ų21.813%0.13415%0.154CC..SBendtrans-69.5-15.1-179.800000115.7
13G92.3Very high94.6Very high21 Ų2122.5 Ų22.522%0.21615%0.151CC..SBendtrans-105-39.6173.300000112.8G11 N30G11-G13 PolarHBondContact O-N 2.95Å; G13-N30 PolarHBondContact O-N 3.05Å
14S95Very high95.1Very high14 Ų1426.6 Ų26.610%0.09816%0.164CC..EExtended strand (participates in β ladder)trans-148.4143177.645.20000111.5G11 K16 I28 Q376G11-S14 VanDerWaalsContact CA-O 3.31Å; G11-S14 WeakPolarHBondContact CA-O 3.4Å; G11-S14 PolarHBondContact N-O 3.35Å; S14-K16 PolarHBondContact O-NZ 3.47Å; S14-K16 VanDerWaalsContact OG-CE 3.27Å; S14-K16 WeakPolarHBondContact OG-CE 3.49Å; S14-K16 PolarHBondContact OG-NZ 3.39Å; S14-I28 CarbonylContact C-O 3.53Å; S14-I28 WeakPolarHBondContact CA-O 3.4Å; S14-I28 VanDerWaalsContact CB-O 3.31Å; S14-I28 WeakPolarHBondContact CB-O 3.32Å; S14-Q376 PolarHBondContact OG-NE2 3.24Å
15L96.7Very high95.3Very high0 Ų026 Ų260%016%0.161CC..EExtended strand (participates in β ladder)trans-81.4141.4168.7-51.8-179.5000109.3L8 D9 M10 I27 I28 N30 I77 L78L8-L15 HydrophobicContact CD1-CB 4.25Å; L8-L15 HydrophobicContact CD1-CD2 4.37Å; D9-L15 WeakPolarHBondContact O-CA 3.33Å; M10-L15 HydrophobicContact CB-CD2 4.35Å; M10-L15 HydrophobicContact CG-CD2 3.68Å; L15-I27 CarbonylContact O-C 3.56Å; L15-I27 WeakPolarHBondContact O-CA 3.45Å; L15-I28 HydrophobicContact CB-CB 4.35Å; L15-I28 PolarHBondContact N-O 3.32Å; L15-I28 PolarHBondContact O-N 2.96Å; L15-N30 HydrophobicContact CD2-CB 3.97Å; L15-N30 HydrophobicContact CG-CB 3.96Å; L15-I77 HydrophobicContact CD1-CG2 3.76Å; L15-L78 HydrophobicContact CD1-CD2 4.27Å
16K97.3Very high95.3Very high14 Ų1428.7 Ų28.76%0.06117%0.171CC..EExtended strand (participates in β ladder)trans-119118.4164.4-63.388.1-151.7173.50108.1D9 S14 P25 K26 I27 T377 W380D9-K16 HydrophobicContact CB-CB 4.11Å; D9-K16 HydrophobicContact CB-CD 4.36Å; D9-K16 PolarHBondContact N-O 3.23Å; D9-K16 PolarHBondContact O-N 2.87Å; D9-K16 WeakPolarHBondContact OD2-CD 3.39Å; S14-K16 PolarHBondContact O-NZ 3.47Å; S14-K16 VanDerWaalsContact OG-CE 3.27Å; S14-K16 WeakPolarHBondContact OG-CE 3.49Å; S14-K16 PolarHBondContact OG-NZ 3.39Å; K16-P25 HydrophobicContact CB-CB 3.95Å; K16-P25 HydrophobicContact CB-CG 4.27Å; K16-K26 WeakPolarHBondContact CA-O 3.32Å; K16-I27 HydrophobicContact CG-CG1 4.14Å; K16-T377 HydrophobicContact CG-CG2 4.3Å; K16-W380 HydrophobicContact CB-CB 4.25Å
17I96.7Very high95.2Very high0 Ų031.4 Ų31.40%019%0.185CC..EExtended strand (participates in β ladder)trans-142.6141.3-169.6-170.9175.3000111.4L6 I7 L8 K26 I28 T81 L82 I85L6-I17 HydrophobicContact CD1-CD1 4.22Å; L6-I17 HydrophobicContact CD1-CG1 3.9Å; L6-I17 HydrophobicContact CD2-CD1 4.31Å; L6-I17 HydrophobicContact CG-CD1 4.47Å; L6-I17 HydrophobicContact CG-CG1 4.43Å; I7-I17 VanDerWaalsContact O-CA 3.29Å; I7-I17 WeakPolarHBondContact O-CA 3.19Å; L8-I17 HydrophobicContact CB-CD1 4.35Å; L8-I17 HydrophobicContact CB-CG1 4.3Å; L8-I17 HydrophobicContact CD1-CB 4Å; L8-I17 HydrophobicContact CD1-CD1 4.05Å; L8-I17 HydrophobicContact CD1-CG1 4.22Å; I17-K26 HydrophobicContact CG2-CB 4.46Å; I17-K26 PolarHBondContact N-O 3.43Å; I17-K26 PolarHBondContact O-N 3.22Å; I17-I28 HydrophobicContact CG2-CD1 3.85Å; I17-T81 HydrophobicContact CD1-CG2 4.04Å; I17-T81 HydrophobicContact CG2-CG2 3.75Å; I17-L82 HydrophobicContact CD1-CD2 3.7Å; I17-I85 HydrophobicContact CB-CD1 3.84Å; I17-I85 HydrophobicContact CD1-CD1 3.35Å; I17-I85 HydrophobicContact CG1-CD1 3.41Å; I17-I85 VanDerWaalsContact CG1-CD1 3.41Å; I17-I85 HydrophobicContact CG2-CD1 3.26Å; I17-I85 HydrophobicContact CG2-CG1 4.5Å
18G95.9Very high95.1Very high1 Ų132 Ų321%0.0119%0.188CC..EExtended strand (participates in β ladder)trans175.1162.2-179.300000110.5I7 D22 W380I7-G18 PolarHBondContact N-O 2.83Å; I7-G18 PolarHBondContact O-N 3.02Å; G18-D22 WeakPolarHBondContact CA-OD2 3.49Å; G18-W380 PolarHBondContact O-NE1 3.21Å
19F95.9Very high94.9Very high1 Ų133.8 Ų33.80%0.00420%0.198CC..EExtended strand (participates in β ladder)trans-76.3158.1174-73.9-78.9000111.1P4 T5 L6 T21 D22 I85 N89 Q91 H97 W380P4-F19 HydrophobicContact CB-CB 4.28Å; P4-F19 HydrophobicContact CB-CD1 3.97Å; P4-F19 HydrophobicContact CB-CG 4.45Å; P4-F19 HydrophobicContact CG-CD1 3.87Å; P4-F19 HydrophobicContact CG-CE1 4.32Å; P4-F19 HydrophobicContact CG-CG 4.43Å; P4-F19 WeakPolarHBondContact O-CD1 2.93Å; T5-F19 CarbonylContact O-C 3.51Å; T5-F19 WeakPolarHBondContact O-CA 3.43Å; L6-F19 HydrophobicContact CB-CD1 4.27Å; L6-F19 HydrophobicContact CB-CE1 4.18Å; L6-F19 HydrophobicContact CD1-CD1 4.31Å; L6-F19 HydrophobicContact CD1-CD2 4.5Å; L6-F19 HydrophobicContact CD1-CE1 4.3Å; L6-F19 HydrophobicContact CD1-CG 4.42Å; L6-F19 HydrophobicContact CD1-CZ 4.4Å; F19-T21 PolarHBondContact O-N 3.08Å; F19-T21 VanDerWaalsContact O-N 3.07Å; F19-D22 PolarHBondContact N-OD2 2.83Å; F19-D22 WeakPolarHBondContact O-CB 3.44Å; F19-D22 PolarHBondContact O-N 2.73Å; F19-I85 HydrophobicContact CD2-CG2 4.01Å; F19-I85 HydrophobicContact CE2-CG2 3.62Å; F19-I85 HydrophobicContact CZ-CG2 4.48Å; F19-N89 HydrophobicContact CD2-CB 3.91Å; F19-N89 WeakPolarHBondContact CD2-ND2 3.25Å; F19-N89 HydrophobicContact CE2-CB 3.77Å; F19-Q91 HydrophobicContact CE2-CG 4.05Å; F19-Q91 HydrophobicContact CZ-CG 3.89Å; F19-H97 HydrophobicContact CE1-CB 4.35Å; F19-H97 AromaticContact CE1-CE1 3.99Å; F19-H97 AromaticContact CE1-CG 3.78Å; F19-H97 AromaticContact CE1-ND1 3.77Å; F19-W380 WeakPolarHBondContact O-CZ2 3.39Å
20S94.8Very high94.9Very high31 Ų3133.1 Ų33.122%0.21719%0.194CC..THydrogen-bonded Turntrans-60.1-17.617560.50000113.8T5 V384T5-S20 PolarHBondContact N-OG 3.46Å; T5-S20 PolarHBondContact O-N 3.3Å; S20-V384 WeakPolarHBondContact O-CG1 3.31Å
21T93.4Very high94.8Very high102 Ų10233.1 Ų33.163%0.62620%0.195SC*.THydrogen-bonded Turntrans-88.8-12.217551.20000113.7P4 F19P4-T21 HydrophobicContact CB-CG2 4.01Å; F19-T21 PolarHBondContact O-N 3.08Å; F19-T21 VanDerWaalsContact O-N 3.07Å
22D94.4Very high94.9Very high30 Ų3032.5 Ų32.516%0.1619%0.187CC..  trans-74.7143.2-179.8-68-24.1000110.2G18 F19 N89 W380G18-D22 WeakPolarHBondContact CA-OD2 3.49Å; F19-D22 PolarHBondContact N-OD2 2.83Å; F19-D22 WeakPolarHBondContact O-CB 3.44Å; F19-D22 PolarHBondContact O-N 2.73Å; D22-N89 PolarHBondContact OD1-OD1 3.33Å; D22-N89 VanDerWaalsContact OD1-OD1 3.12Å; D22-N89 PolarHBondContact OD2-ND2 2.93Å; D22-W380 HydrophobicContact CB-CH2 4.26Å; D22-W380 HydrophobicContact CB-CZ2 4.38Å; D22-W380 WeakPolarHBondContact O-CH2 3.4Å
23P93.5Very high94.8Very high109 Ų10932.3 Ų32.371%0.70818%0.183SC*.SBendtrans-71.7-33178.327.3-33.8000112.7
24H95Very high94.7Very high131 Ų13135.8 Ų35.861%0.60619%0.192SC*.SBendtrans-144.7149-177.3-61.1-56.5000110.2
25P96.3Very high94.3Very high16 Ų1635.2 Ų35.210%0.10419%0.188CC..PPolyproline II helixtrans-72.9152.4175.127.7-28.2000111.2K16 T377 W380K16-P25 HydrophobicContact CB-CB 3.95Å; K16-P25 HydrophobicContact CB-CG 4.27Å; P25-T377 HydrophobicContact CG-CG2 3.63Å; P25-W380 HydrophobicContact CB-CB 4.44Å; P25-W380 HydrophobicContact CB-CD2 3.54Å; P25-W380 HydrophobicContact CB-CE3 3.94Å; P25-W380 HydrophobicContact CB-CG 3.74Å; P25-W380 HydrophobicContact CB-CZ2 4.26Å; P25-W380 HydrophobicContact CB-CZ3 4.45Å; P25-W380 VanDerWaalsContact CD-CE3 3.47Å; P25-W380 HydrophobicContact CG-CB 4.38Å; P25-W380 HydrophobicContact CG-CD2 3.81Å; P25-W380 HydrophobicContact CG-CE3 3.75Å; P25-W380 HydrophobicContact CG-CG 4.07Å; P25-W380 HydrophobicContact CG-CZ3 4.33Å
26K95.2Very high93.5Very high69 Ų6942.6 Ų42.630%0.322%0.22SC..EExtended strand (participates in β ladder)trans-76.7127.1159.7-65-170.2-178.5-174.70109.2K16 I17 I28 I85 T88K16-K26 WeakPolarHBondContact CA-O 3.32Å; I17-K26 HydrophobicContact CG2-CB 4.46Å; I17-K26 PolarHBondContact N-O 3.43Å; I17-K26 PolarHBondContact O-N 3.22Å; K26-I28 HydrophobicContact CB-CD1 4.46Å; K26-I28 HydrophobicContact CB-CG1 4.47Å; K26-I85 HydrophobicContact CD-CG1 4.27Å; K26-T88 PolarHBondContact NZ-OG1 3.1Å
27I95.5Very high92.7Very high66 Ų6645.3 Ų45.334%0.33824%0.238SC..EExtended strand (participates in β ladder)trans-94.8120.1173.8-55.2178000107.7L15 K16 N46 T377L15-I27 CarbonylContact O-C 3.56Å; L15-I27 WeakPolarHBondContact O-CA 3.45Å; K16-I27 HydrophobicContact CG-CG1 4.14Å; I27-N46 PolarHBondContact O-ND2 3.24Å; I27-T377 HydrophobicContact CD1-CG2 3.94Å; I27-T377 HydrophobicContact CG1-CG2 4.32Å
28I95.2Very high92.1Very high12 Ų1249 Ų496%0.06226%0.257CS..EExtended strand (participates in β ladder)trans-124.3131.9-176.2-59.7166.6000109.6S14 L15 I17 K26 N30 N46 T81S14-I28 CarbonylContact C-O 3.53Å; S14-I28 WeakPolarHBondContact CA-O 3.4Å; S14-I28 VanDerWaalsContact CB-O 3.31Å; S14-I28 WeakPolarHBondContact CB-O 3.32Å; L15-I28 HydrophobicContact CB-CB 4.35Å; L15-I28 PolarHBondContact N-O 3.32Å; L15-I28 PolarHBondContact O-N 2.96Å; I17-I28 HydrophobicContact CG2-CD1 3.85Å; K26-I28 HydrophobicContact CB-CD1 4.46Å; K26-I28 HydrophobicContact CB-CG1 4.47Å; I28-N30 PolarHBondContact O-N 3.34Å; I28-N46 VanDerWaalsContact CA-OD1 3.29Å; I28-N46 WeakPolarHBondContact CA-OD1 3.22Å; I28-T81 HydrophobicContact CD1-CG2 3.27Å
29D93.5Very high91.4Very high40 Ų4052.8 Ų52.821%0.21430%0.296CS..EExtended strand (participates in β ladder)trans-59.5124.3174.4-74.5-34000110.7S31 F33 G45 N46 Y208D29-S31 PolarHBondContact O-N 3.08Å; D29-F33 HydrophobicContact CB-CE2 4.36Å; D29-G45 WeakPolarHBondContact O-CA 3.15Å; D29-N46 PolarHBondContact N-OD1 3.3Å; D29-N46 VanDerWaalsContact N-OD1 3.08Å; D29-Y208 WeakPolarHBondContact OD2-CE2 3.18Å
30N95.5Very high90.7Very high1 Ų154.7 Ų54.71%0.00532%0.317CS..SBendtrans-85.458.2-178.8-165.814.8000111G11 G13 L15 I28 P62 F63 Q74 I77G11-N30 WeakPolarHBondContact O-CB 3.33Å; G11-N30 PolarHBondContact O-ND2 3.08Å; G13-N30 PolarHBondContact O-N 3.05Å; L15-N30 HydrophobicContact CD2-CB 3.97Å; L15-N30 HydrophobicContact CG-CB 3.96Å; I28-N30 PolarHBondContact O-N 3.34Å; N30-P62 WeakPolarHBondContact O-CD 3.32Å; N30-F63 WeakPolarHBondContact ND2-CD2 3.45Å; N30-F63 WeakPolarHBondContact ND2-CE2 3.24Å; N30-Q74 PolarHBondContact ND2-OE1 2.99Å; N30-Q74 PolarHBondContact OD1-NE2 3.14Å; N30-Q74 PolarHBondContact OD1-OE1 3.49Å; N30-I77 WeakPolarHBondContact OD1-CD1 3.45Å
31S94.3Very high90.4Very high8 Ų859.4 Ų59.46%0.05633%0.33CS..SBendtrans-157.3164.4-178.162.80000111.9D29 F33 G45 V60D29-S31 PolarHBondContact O-N 3.08Å; S31-F33 WeakPolarHBondContact OG-CE2 3.15Å; S31-F33 WeakPolarHBondContact OG-CZ 3.3Å; S31-G45 PolarHBondContact O-N 3.18Å; S31-V60 WeakPolarHBondContact CA-O 3.4Å; S31-V60 WeakPolarHBondContact CB-O 3.27Å
32I94Very high90.3Very high3 Ų357 Ų572%0.01532%0.315CS..EExtended strand (participates in β ladder)trans-116.4124.3173.3-60.8-177.2000107.9T42 F43 V44 V60 V73 Q76 I77I32-T42 HydrophobicContact CG2-CG2 3.18Å; I32-F43 WeakPolarHBondContact CA-O 3.36Å; I32-V44 HydrophobicContact CD1-CG2 4.42Å; I32-V44 HydrophobicContact CG1-CG1 4.42Å; I32-V44 HydrophobicContact CG1-CG2 4.33Å; I32-V60 HydrophobicContact CB-CB 4.31Å; I32-V60 PolarHBondContact N-O 2.9Å; I32-V60 PolarHBondContact O-N 2.8Å; I32-V73 HydrophobicContact CD1-CG1 3.95Å; I32-V73 HydrophobicContact CG1-CG1 4.27Å; I32-Q76 HydrophobicContact CD1-CB 4.12Å; I32-Q76 VanDerWaalsContact CD1-CD 3.43Å; I32-Q76 HydrophobicContact CD1-CG 3.93Å; I32-Q76 VanDerWaalsContact CD1-OE1 3.24Å; I32-I77 HydrophobicContact CD1-CG1 4.11Å; I32-I77 HydrophobicContact CG1-CD1 4.03Å; I32-I77 HydrophobicContact CG1-CG1 3.69Å
33F91.3Very high90.1Very high9 Ų955.7 Ų55.74%0.03931%0.308CS..EExtended strand (participates in β ladder)trans-100.8132177.4-62.1-84.2000110.5D29 S31 T42 F43 I48 L57 F58 C59 Y208D29-F33 HydrophobicContact CB-CE2 4.36Å; S31-F33 WeakPolarHBondContact OG-CE2 3.15Å; S31-F33 WeakPolarHBondContact OG-CZ 3.3Å; F33-T42 CarbonylContact O-C 3.59Å; F33-T42 WeakPolarHBondContact O-CA 3.43Å; F33-F43 HydrophobicContact CB-CB 4.45Å; F33-F43 PolarHBondContact N-O 3.15Å; F33-F43 PolarHBondContact O-N 3.25Å; F33-I48 HydrophobicContact CB-CD1 4.17Å; F33-I48 HydrophobicContact CD1-CD1 3.94Å; F33-I48 HydrophobicContact CD2-CB 4.07Å; F33-I48 HydrophobicContact CD2-CD1 3.4Å; F33-I48 HydrophobicContact CD2-CG1 4.22Å; F33-I48 HydrophobicContact CE1-CD1 4.12Å; F33-I48 HydrophobicContact CE2-CB 4.46Å; F33-I48 HydrophobicContact CE2-CD1 3.58Å; F33-I48 HydrophobicContact CG-CD1 3.57Å; F33-I48 HydrophobicContact CZ-CD1 3.95Å; F33-L57 HydrophobicContact CB-CD1 4.49Å; F33-L57 HydrophobicContact CB-CD2 4.48Å; F33-L57 HydrophobicContact CD1-CB 4.21Å; F33-L57 HydrophobicContact CD1-CD1 4.16Å; F33-L57 HydrophobicContact CG-CD1 4.49Å; F33-F58 CarbonylContact C-O 3.47Å; F33-F58 WeakPolarHBondContact CA-O 3.21Å; F33-C59 HydrophobicContact CD1-CB 3.93Å; F33-C59 HydrophobicContact CE1-CB 3.77Å; F33-C59 VanDerWaalsContact CE1-SG 3.59Å; F33-Y208 AromaticContact CE1-CD2 3.97Å; F33-Y208 HydrophobicContact CE1-CD2 3.97Å; F33-Y208 HydrophobicContact CE2-CD2 4.27Å; F33-Y208 HydrophobicContact CE2-CE2 4.41Å; F33-Y208 AromaticContact CZ-CD2 3.57Å; F33-Y208 HydrophobicContact CZ-CD2 3.57Å; F33-Y208 HydrophobicContact CZ-CE2 4.1Å; F33-Y208 HydrophobicContact CZ-CG 4.5Å
34K90.4Very high90.1Very high95 Ų9551 Ų5141%0.41328%0.277SS..EExtended strand (participates in β ladder)trans-112.6119.4172-61.6-174.4178.8-176.60109.1R41 T42 F58K34-R41 WeakPolarHBondContact CA-O 3.31Å; K34-T42 HydrophobicContact CG-CG2 4.41Å; K34-F58 HydrophobicContact CB-CB 4.34Å; K34-F58 PolarHBondContact N-O 3.09Å; K34-F58 PolarHBondContact O-N 3.1Å
35S85.1Confident89.9Confident1 Ų144.8 Ų44.81%0.00725%0.248CC..EExtended strand (participates in β ladder)trans-82.7123.1178.7172.80000111.1T37 L38 G40 R41S35-T37 VanDerWaalsContact C-N 3.34Å; S35-T37 PolarHBondContact OG-N 2.86Å; S35-T37 PolarHBondContact OG-OG1 3.21Å; S35-L38 WeakPolarHBondContact OG-CB 3.43Å; S35-L38 PolarHBondContact OG-N 3.39Å; S35-G40 WeakPolarHBondContact O-CA 3.37Å; S35-G40 PolarHBondContact O-N 3.34Å; S35-R41 PolarHBondContact N-O 3.19Å
36K81.5Confident89.5Confident156 Ų15646.4 Ų46.468%0.67826%0.256SS*.THydrogen-bonded Turntrans-72.3-29.9172.7-69.3-177.6-179.7177.70112.4
37T80.3Confident89.3Confident70 Ų7046.2 Ų46.243%0.42926%0.256SS..THydrogen-bonded Turntrans-80.5-28.9-177.2530000112.3S35 G39S35-T37 VanDerWaalsContact C-N 3.34Å; S35-T37 PolarHBondContact OG-N 2.86Å; S35-T37 PolarHBondContact OG-OG1 3.21Å; T37-G39 PolarHBondContact O-N 3.22Å
38L82.8Confident88.8Confident77 Ų7743.1 Ų43.140%0.40324%0.24SC..THydrogen-bonded Turntrans-100.343.7178.2-58.1175000112.3S35 G40 R41 F43S35-L38 WeakPolarHBondContact OG-CB 3.43Å; S35-L38 PolarHBondContact OG-N 3.39Å; L38-G40 PolarHBondContact O-N 3.26Å; L38-G40 VanDerWaalsContact O-N 3.11Å; L38-R41 HydrophobicContact CB-CB 4.2Å; L38-R41 WeakPolarHBondContact O-CB 3.33Å; L38-R41 PolarHBondContact O-N 3.41Å; L38-F43 HydrophobicContact CD1-CE2 4.37Å; L38-F43 HydrophobicContact CD1-CZ 4Å
39G81.5Confident88.2Confident81 Ų8149.7 Ų49.784%0.83527%0.271SS*.THydrogen-bonded Turntrans60.326.2172.600000115.2T37T37-G39 PolarHBondContact O-N 3.22Å
40G82Confident87.8Confident42 Ų4253.2 Ų53.243%0.43329%0.286SS..THydrogen-bonded Turntrans84.112.3-178.400000114.8S35 L38 T42S35-G40 WeakPolarHBondContact O-CA 3.37Å; S35-G40 PolarHBondContact O-N 3.34Å; L38-G40 PolarHBondContact O-N 3.26Å; L38-G40 VanDerWaalsContact O-N 3.11Å; G40-T42 PolarHBondContact O-N 3.14Å
41R88.5Confident87.1Confident130 Ų13053.6 Ų53.649%0.49129%0.289SS..  trans-51.8134.2175.7-175171.6177.6-174.5-2.5110.5K34 S35 L38 F43K34-R41 WeakPolarHBondContact CA-O 3.31Å; S35-R41 PolarHBondContact N-O 3.19Å; L38-R41 HydrophobicContact CB-CB 4.2Å; L38-R41 WeakPolarHBondContact O-CB 3.33Å; L38-R41 PolarHBondContact O-N 3.41Å; R41-F43 HydrophobicContact CB-CE2 4.19Å; R41-F43 HydrophobicContact CB-CZ 4.3Å; R41-F43 HydrophobicContact CG-CE1 4.25Å; R41-F43 HydrophobicContact CG-CE2 4.02Å; R41-F43 HydrophobicContact CG-CZ 3.81Å
42T90.7Very high86.5Confident52 Ų5259 Ų5932%0.31932%0.317SS..EExtended strand (participates in β ladder)trans-101138.3-178.4-59.70000109.7I32 F33 K34 G40I32-T42 HydrophobicContact CG2-CG2 3.18Å; F33-T42 CarbonylContact O-C 3.59Å; F33-T42 WeakPolarHBondContact O-CA 3.43Å; K34-T42 HydrophobicContact CG-CG2 4.41Å; G40-T42 PolarHBondContact O-N 3.14Å
43F91.3Very high85.8Confident1 Ų161.2 Ų61.20%0.00433%0.329CS..EExtended strand (participates in β ladder)trans-126.9122.2176.9-56.8-86.3000108.1I32 F33 L38 R41 E47 I48 C51I32-F43 WeakPolarHBondContact CA-O 3.36Å; F33-F43 HydrophobicContact CB-CB 4.45Å; F33-F43 PolarHBondContact N-O 3.15Å; F33-F43 PolarHBondContact O-N 3.25Å; L38-F43 HydrophobicContact CD1-CE2 4.37Å; L38-F43 HydrophobicContact CD1-CZ 4Å; R41-F43 HydrophobicContact CB-CE2 4.19Å; R41-F43 HydrophobicContact CB-CZ 4.3Å; R41-F43 HydrophobicContact CG-CE1 4.25Å; R41-F43 HydrophobicContact CG-CE2 4.02Å; R41-F43 HydrophobicContact CG-CZ 3.81Å; F43-E47 HydrophobicContact CB-CB 4.11Å; F43-E47 HydrophobicContact CD1-CB 4.38Å; F43-E47 VanDerWaalsContact CD1-O 3.27Å; F43-E47 WeakPolarHBondContact CD1-O 3.43Å; F43-I48 HydrophobicContact CB-CB 4.41Å; F43-C51 HydrophobicContact CD1-CB 4.28Å; F43-C51 HydrophobicContact CD2-CB 4.35Å; F43-C51 HydrophobicContact CE1-CB 3.81Å; F43-C51 HydrophobicContact CE2-CB 3.91Å; F43-C51 HydrophobicContact CZ-CB 3.6Å
44V92.7Very high85.3Confident11 Ų1161.6 Ų61.67%0.06733%0.331CS..EExtended strand (participates in β ladder)trans-98.8120.3-178.2-177.60000109.5I32 N46 E47 Q76 I77 T80I32-V44 HydrophobicContact CD1-CG2 4.42Å; I32-V44 HydrophobicContact CG1-CG1 4.42Å; I32-V44 HydrophobicContact CG1-CG2 4.33Å; V44-N46 PolarHBondContact O-N 2.97Å; V44-E47 PolarHBondContact N-OE2 2.91Å; V44-E47 WeakPolarHBondContact O-CB 3.08Å; V44-E47 WeakPolarHBondContact O-CG 3.43Å; V44-E47 PolarHBondContact O-N 3.2Å; V44-Q76 HydrophobicContact CG2-CG 4.4Å; V44-I77 HydrophobicContact CG1-CB 4.21Å; V44-I77 HydrophobicContact CG1-CG1 3.95Å; V44-I77 HydrophobicContact CG1-CG2 4.5Å; V44-T80 HydrophobicContact CB-CG2 4.23Å; V44-T80 HydrophobicContact CG1-CG2 4.21Å
45G90.5Very high84.7Confident0 Ų058.5 Ų58.50%032%0.321CS..G310 helixtrans52.6-124.9-176.900000112.5D29 S31 E47 I48D29-G45 WeakPolarHBondContact O-CA 3.15Å; S31-G45 PolarHBondContact O-N 3.18Å; G45-E47 PolarHBondContact O-N 3.09Å; G45-E47 VanDerWaalsContact O-N 3.15Å; G45-I48 VanDerWaalsContact O-CG2 3.3Å; G45-I48 WeakPolarHBondContact O-CG2 3.42Å; G45-I48 PolarHBondContact O-N 3.37Å
46N88.3Confident84.5Confident50 Ų5060.4 Ų60.427%0.26734%0.335SS..G310 helixtrans-73.4-2.5-174.9-63.14.7000114.2I27 I28 D29 V44 I48 E49I27-N46 PolarHBondContact O-ND2 3.24Å; I28-N46 VanDerWaalsContact CA-OD1 3.29Å; I28-N46 WeakPolarHBondContact CA-OD1 3.22Å; D29-N46 PolarHBondContact N-OD1 3.3Å; D29-N46 VanDerWaalsContact N-OD1 3.08Å; V44-N46 PolarHBondContact O-N 2.97Å; N46-I48 PolarHBondContact O-N 2.95Å; N46-I48 VanDerWaalsContact O-N 3.08Å; N46-E49 WeakPolarHBondContact O-CB 3.1Å; N46-E49 WeakPolarHBondContact O-CG 3.33Å; N46-E49 PolarHBondContact O-N 2.95Å
47E90.1Very high84.7Confident66 Ų6653.9 Ų53.931%0.30831%0.307SS..G310 helixtrans-58.6-19.1167.7-67.7-179.8162.600112.1F43 V44 G45 E49 Q50F43-E47 HydrophobicContact CB-CB 4.11Å; F43-E47 HydrophobicContact CD1-CB 4.38Å; F43-E47 VanDerWaalsContact CD1-O 3.27Å; F43-E47 WeakPolarHBondContact CD1-O 3.43Å; V44-E47 PolarHBondContact N-OE2 2.91Å; V44-E47 WeakPolarHBondContact O-CB 3.08Å; V44-E47 WeakPolarHBondContact O-CG 3.43Å; V44-E47 PolarHBondContact O-N 3.2Å; G45-E47 PolarHBondContact O-N 3.09Å; G45-E47 VanDerWaalsContact O-N 3.15Å; E47-E49 PolarHBondContact O-N 3.07Å; E47-Q50 VanDerWaalsContact O-CB 3.29Å; E47-Q50 WeakPolarHBondContact O-CB 3.35Å; E47-Q50 PolarHBondContact O-N 2.78Å
48I84.7Confident84.9Confident0 Ų056.1 Ų56.10%031%0.311CS..G310 helixtrans-55.9-27.6171.8-170.8163.7000112.8F33 F43 G45 N46 Q50 C51 L54 L57 Y208F33-I48 HydrophobicContact CB-CD1 4.17Å; F33-I48 HydrophobicContact CD1-CD1 3.94Å; F33-I48 HydrophobicContact CD2-CB 4.07Å; F33-I48 HydrophobicContact CD2-CD1 3.4Å; F33-I48 HydrophobicContact CD2-CG1 4.22Å; F33-I48 HydrophobicContact CE1-CD1 4.12Å; F33-I48 HydrophobicContact CE2-CB 4.46Å; F33-I48 HydrophobicContact CE2-CD1 3.58Å; F33-I48 HydrophobicContact CG-CD1 3.57Å; F33-I48 HydrophobicContact CZ-CD1 3.95Å; F43-I48 HydrophobicContact CB-CB 4.41Å; G45-I48 VanDerWaalsContact O-CG2 3.3Å; G45-I48 WeakPolarHBondContact O-CG2 3.42Å; G45-I48 PolarHBondContact O-N 3.37Å; N46-I48 PolarHBondContact O-N 2.95Å; N46-I48 VanDerWaalsContact O-N 3.08Å; I48-Q50 PolarHBondContact O-N 3.49Å; I48-C51 WeakPolarHBondContact O-CA 3.41Å; I48-C51 WeakPolarHBondContact O-CB 3.43Å; I48-C51 PolarHBondContact O-N 2.86Å; I48-L54 HydrophobicContact CD1-CD2 3.98Å; I48-L54 HydrophobicContact CG1-CD2 3.5Å; I48-L54 VanDerWaalsContact CG1-CD2 3.5Å; I48-L57 HydrophobicContact CD1-CD1 3.56Å; I48-L57 HydrophobicContact CG1-CD1 4.36Å; I48-Y208 HydrophobicContact CD1-CD1 4.22Å; I48-Y208 HydrophobicContact CD1-CD2 3.84Å; I48-Y208 HydrophobicContact CD1-CE1 4.2Å; I48-Y208 HydrophobicContact CD1-CE2 3.82Å; I48-Y208 HydrophobicContact CD1-CG 4.04Å; I48-Y208 HydrophobicContact CG2-CE2 4.44Å
49E84.2Confident85.2Confident150 Ų15053.9 Ų53.970%0.70130%0.302SS*.G310 helixtrans-63.4-22.8175.7-64.3176.3178.700112.4N46 E47 C51N46-E49 WeakPolarHBondContact O-CB 3.1Å; N46-E49 WeakPolarHBondContact O-CG 3.33Å; N46-E49 PolarHBondContact O-N 2.95Å; E47-E49 PolarHBondContact O-N 3.07Å; E49-C51 VanDerWaalsContact C-N 3.26Å
50Q84.4Confident85.7Confident115 Ų11551.5 Ų51.554%0.53727%0.271SS..G310 helixtrans-82.3-6.2174.4-52.7172.312.900112.4E47 I48 N52E47-Q50 VanDerWaalsContact O-CB 3.29Å; E47-Q50 WeakPolarHBondContact O-CB 3.35Å; E47-Q50 PolarHBondContact O-N 2.78Å; I48-Q50 PolarHBondContact O-N 3.49Å; Q50-N52 PolarHBondContact O-N 3.36Å
51C81.5Confident86.2Confident8 Ų852 Ų525%0.05426%0.263CS..  trans-83.7107.7179.4-169.80000109.6F43 I48 E49 N53 L54F43-C51 HydrophobicContact CD1-CB 4.28Å; F43-C51 HydrophobicContact CD2-CB 4.35Å; F43-C51 HydrophobicContact CE1-CB 3.81Å; F43-C51 HydrophobicContact CE2-CB 3.91Å; F43-C51 HydrophobicContact CZ-CB 3.6Å; I48-C51 WeakPolarHBondContact O-CA 3.41Å; I48-C51 WeakPolarHBondContact O-CB 3.43Å; I48-C51 PolarHBondContact O-N 2.86Å; E49-C51 VanDerWaalsContact C-N 3.26Å; C51-N53 PolarHBondContact O-N 3.35Å; C51-N53 PolarHBondContact SG-O 3.06Å; C51-L54 HydrophobicContact CB-CD2 3.83Å
52N80.1Confident86.5Confident122 Ų12245.9 Ų45.965%0.65224%0.24SC*.SBendtrans-64.6-23.6179.1-63.3-7.3000112.9Q50 Y249Q50-N52 PolarHBondContact O-N 3.36Å; N52-Y249 VanDerWaalsContact O-CB 3.23Å; N52-Y249 WeakPolarHBondContact O-CB 3.47Å; N52-Y249 WeakPolarHBondContact O-CD1 3.48Å
53N79.4Confident86.5Confident49 Ų4944 Ų4426%0.26223%0.227SC..  trans-130.8102.4-177.9-174.6-14.9000110.9C51 S55 Y249C51-N53 PolarHBondContact O-N 3.35Å; C51-N53 PolarHBondContact SG-O 3.06Å; N53-S55 VanDerWaalsContact C-N 3.28Å; N53-S55 PolarHBondContact O-N 2.86Å; N53-S55 VanDerWaalsContact OD1-CB 3.29Å; N53-S55 WeakPolarHBondContact OD1-CB 3.47Å; N53-S55 PolarHBondContact OD1-N 2.95Å; N53-S55 PolarHBondContact OD1-OG 3.49Å; N53-Y249 HydrophobicContact CB-CD2 4.45Å; N53-Y249 HydrophobicContact CB-CG 4.38Å; N53-Y249 WeakPolarHBondContact OD1-CD2 3.38Å; N53-Y249 WeakPolarHBondContact OD1-CE2 3.34Å
54L81.1Confident86.4Confident17 Ų1750.4 Ų50.49%0.08926%0.255CS..  trans-85.68.4-178.3-48.4168000113.6I48 C51 L57 Y208 Y249I48-L54 HydrophobicContact CD1-CD2 3.98Å; I48-L54 HydrophobicContact CG1-CD2 3.5Å; I48-L54 VanDerWaalsContact CG1-CD2 3.5Å; C51-L54 HydrophobicContact CB-CD2 3.83Å; L54-L57 HydrophobicContact CB-CD1 4Å; L54-L57 HydrophobicContact CD2-CD1 4.11Å; L54-L57 WeakPolarHBondContact O-CD1 3.42Å; L54-L57 WeakPolarHBondContact O-CG 3.43Å; L54-Y208 HydrophobicContact CD1-CD1 4.15Å; L54-Y208 HydrophobicContact CD1-CE1 3.95Å; L54-Y249 VanDerWaalsContact C-OH 3.27Å; L54-Y249 WeakPolarHBondContact CA-OH 3.41Å; L54-Y249 HydrophobicContact CB-CE1 3.58Å; L54-Y249 VanDerWaalsContact CB-OH 3.28Å; L54-Y249 WeakPolarHBondContact CB-OH 3.43Å; L54-Y249 HydrophobicContact CD1-CE1 4.03Å; L54-Y249 HydrophobicContact CG-CE1 3.7Å
55S79.3Confident86.2Confident30 Ų3057.5 Ų57.521%0.2129%0.285CS..THydrogen-bonded Turntrans-72.2145.9177.465.20000112.2N53 L57 E206 Y249N53-S55 VanDerWaalsContact C-N 3.28Å; N53-S55 PolarHBondContact O-N 2.86Å; N53-S55 VanDerWaalsContact OD1-CB 3.29Å; N53-S55 WeakPolarHBondContact OD1-CB 3.47Å; N53-S55 PolarHBondContact OD1-N 2.95Å; N53-S55 PolarHBondContact OD1-OG 3.49Å; S55-L57 VanDerWaalsContact C-N 3.26Å; S55-L57 PolarHBondContact O-N 2.86Å; S55-E206 WeakPolarHBondContact CA-OE2 3.22Å; S55-Y249 PolarHBondContact N-OH 3.34Å
56S80.3Confident86Confident41 Ų4157.6 Ų57.629%0.28729%0.285SS..THydrogen-bonded Turntrans53.339.1172-68.10000114.7E206S56-E206 PolarHBondContact N-OE1 2.76Å; S56-E206 VanDerWaalsContact N-OE1 3.14Å
57L84.7Confident86.2Confident19 Ų1957 Ų5710%0.09928%0.28CS..EExtended strand (participates in β ladder)trans-73135.4174.3-65.3174.6000110.9F33 I48 L54 S55F33-L57 HydrophobicContact CB-CD1 4.49Å; F33-L57 HydrophobicContact CB-CD2 4.48Å; F33-L57 HydrophobicContact CD1-CB 4.21Å; F33-L57 HydrophobicContact CD1-CD1 4.16Å; F33-L57 HydrophobicContact CG-CD1 4.49Å; I48-L57 HydrophobicContact CD1-CD1 3.56Å; I48-L57 HydrophobicContact CG1-CD1 4.36Å; L54-L57 HydrophobicContact CB-CD1 4Å; L54-L57 HydrophobicContact CD2-CD1 4.11Å; L54-L57 WeakPolarHBondContact O-CD1 3.42Å; L54-L57 WeakPolarHBondContact O-CG 3.43Å; S55-L57 VanDerWaalsContact C-N 3.26Å; S55-L57 PolarHBondContact O-N 2.86Å
58F86.2Confident86.4Confident117 Ų11754.5 Ų54.551%0.51327%0.269SS..EExtended strand (participates in β ladder)trans-92.6114.8165.7-176.1-107.6000109.3F33 K34 V60F33-F58 CarbonylContact C-O 3.47Å; F33-F58 WeakPolarHBondContact CA-O 3.21Å; K34-F58 HydrophobicContact CB-CB 4.34Å; K34-F58 PolarHBondContact N-O 3.09Å; K34-F58 PolarHBondContact O-N 3.1Å; F58-V60 HydrophobicContact CD1-CG2 3.66Å; F58-V60 HydrophobicContact CE1-CG2 3.45Å; F58-V60 VanDerWaalsContact CE1-CG2 3.45Å
59C88.5Confident86.7Confident30 Ų3060.3 Ų60.320%0.20330%0.3CS..EExtended strand (participates in β ladder)trans-91.9120.1178.9-1750000110.5F33F33-C59 HydrophobicContact CD1-CB 3.93Å; F33-C59 HydrophobicContact CE1-CB 3.77Å; F33-C59 VanDerWaalsContact CE1-SG 3.59Å
60V91.3Very high87.2Confident32 Ų3256 Ų5619%0.19428%0.281CS..EExtended strand (participates in β ladder)trans-102.5123.9171.3-175.70000108.1S31 I32 F58 V73S31-V60 WeakPolarHBondContact CA-O 3.4Å; S31-V60 WeakPolarHBondContact CB-O 3.27Å; I32-V60 HydrophobicContact CB-CB 4.31Å; I32-V60 PolarHBondContact N-O 2.9Å; I32-V60 PolarHBondContact O-N 2.8Å; F58-V60 HydrophobicContact CD1-CG2 3.66Å; F58-V60 HydrophobicContact CE1-CG2 3.45Å; F58-V60 VanDerWaalsContact CE1-CG2 3.45Å; V60-V73 HydrophobicContact CG1-CG1 4.15Å; V60-V73 HydrophobicContact CG1-CG2 3.91Å
61M92.4Very high87.7Confident53 Ų5352.9 Ų52.926%0.26127%0.265SS..  trans-117136.9179.1-70.8176.7-81.900110.3F63 Y160M61-F63 VanDerWaalsContact C-N 3.28Å; M61-Y160 HydrophobicContact SD-CE1 3.99Å; M61-Y160 PolarHBondContact SD-OH 3.5Å
62P94.4Very high88.4Confident1 Ų160 Ų601%0.00630%0.297CS..SBendtrans-71.4-27172.424.4-26.4000112.1N30 N69 N70 V73 Q74 I77N30-P62 WeakPolarHBondContact O-CD 3.32Å; P62-N69 PolarHBondContact O-N 3.03Å; P62-N70 WeakPolarHBondContact CB-O 3.43Å; P62-N70 PolarHBondContact O-N 2.9Å; P62-V73 HydrophobicContact CB-CB 4.22Å; P62-V73 HydrophobicContact CB-CG1 3.96Å; P62-V73 HydrophobicContact CG-CG1 4.15Å; P62-Q74 HydrophobicContact CB-CB 3.8Å; P62-Q74 HydrophobicContact CG-CB 4.31Å; P62-I77 HydrophobicContact CG-CD1 3.86Å
63F91.9Very high89.1Confident12 Ų1254.8 Ų54.85%0.05327%0.269CS..EExtended strand (participates in β ladder)trans-87.8134.2-179.3-79.7-103.6000113.1M10 N30 M61 G66 Y67 I68 Q74M10-F63 HydrophobicContact CG-CE2 4.37Å; M10-F63 HydrophobicContact CG-CZ 4.31Å; M10-F63 WeakPolarHBondContact O-CZ 3.22Å; M10-F63 HydrophobicContact SD-CZ 4.46Å; N30-F63 WeakPolarHBondContact ND2-CD2 3.45Å; N30-F63 WeakPolarHBondContact ND2-CE2 3.24Å; M61-F63 VanDerWaalsContact C-N 3.28Å; F63-G66 WeakPolarHBondContact CD1-O 3.28Å; F63-Y67 CarbonylContact C-O 3.59Å; F63-Y67 VanDerWaalsContact CA-O 3.25Å; F63-Y67 WeakPolarHBondContact CA-O 3.45Å; F63-I68 HydrophobicContact CD1-CG1 4.28Å; F63-I68 HydrophobicContact CD2-CG1 4.12Å; F63-I68 HydrophobicContact CE1-CG1 3.75Å; F63-I68 HydrophobicContact CE2-CD1 4.15Å; F63-I68 HydrophobicContact CE2-CG1 3.53Å; F63-I68 HydrophobicContact CG-CG1 4.46Å; F63-I68 HydrophobicContact CZ-CD1 3.86Å; F63-I68 HydrophobicContact CZ-CG1 3.34Å; F63-Q74 VanDerWaalsContact CE2-OE1 3.3Å
64K89.2Confident90Very high136 Ų13652.4 Ų52.459%0.59126%0.257SS*.EExtended strand (participates in β ladder)trans-125.8124.5166-170.2175-177.3179.70109.5G66 Y67 N69K64-G66 PolarHBondContact O-N 2.96Å; K64-G66 VanDerWaalsContact O-N 3.12Å; K64-Y67 PolarHBondContact N-O 3.34Å; K64-Y67 PolarHBondContact O-N 2.87Å; K64-N69 HydrophobicContact CB-CB 4.11Å
65K87.1Confident90.7Very high160 Ų16052.9 Ų52.970%0.69626%0.261SS*.THydrogen-bonded Turntrans48.838.8-177.6-61.3-175174.1-172.10112.5R180K65-R180 PolarHBondContact O-NH2 3.02Å
66G87Confident91.5Very high1 Ų155.5 Ų55.51%0.0127%0.27CS..THydrogen-bonded Turntrans83.51.1177.200000116.6F63 K64 S161F63-G66 WeakPolarHBondContact CD1-O 3.28Å; K64-G66 PolarHBondContact O-N 2.96Å; K64-G66 VanDerWaalsContact O-N 3.12Å; G66-S161 VanDerWaalsContact CA-CB 3.45Å; G66-S161 PolarHBondContact N-OG 2.9Å
67Y92.5Very high92.3Very high38 Ų3853.5 Ų53.515%0.14926%0.256CS..EExtended strand (participates in β ladder)trans-115147174.4-58.9-75.7000111.4F63 K64 N69 P104 F106 F108 R180F63-Y67 CarbonylContact C-O 3.59Å; F63-Y67 VanDerWaalsContact CA-O 3.25Å; F63-Y67 WeakPolarHBondContact CA-O 3.45Å; K64-Y67 PolarHBondContact N-O 3.34Å; K64-Y67 PolarHBondContact O-N 2.87Å; Y67-N69 PolarHBondContact O-N 2.82Å; Y67-P104 HydrophobicContact CD1-CG 4.02Å; Y67-P104 HydrophobicContact CE1-CG 4.28Å; Y67-F106 PolarHBondContact OH-O 2.64Å; Y67-F108 HydrophobicContact CD1-CD2 4.08Å; Y67-F108 AromaticContact CD1-CE2 3.93Å; Y67-F108 HydrophobicContact CD1-CE2 3.93Å; Y67-F108 AromaticContact CD2-CE2 3.98Å; Y67-F108 HydrophobicContact CD2-CE2 3.98Å; Y67-F108 HydrophobicContact CE1-CD2 4.39Å; Y67-F108 HydrophobicContact CE1-CE2 4.12Å; Y67-F108 HydrophobicContact CE2-CE2 4.13Å; Y67-F108 HydrophobicContact CE2-CZ 4.45Å; Y67-F108 HydrophobicContact CG-CD2 4.33Å; Y67-F108 AromaticContact CG-CE2 3.85Å; Y67-F108 HydrophobicContact CG-CE2 3.85Å; Y67-R180 PolarHBondContact OH-NH1 2.87Å
68I93.4Very high92.9Very high14 Ų1452.6 Ų52.67%0.07225%0.252CS..EExtended strand (participates in β ladder)trans-70.1116.7172.7-59168.9000108M10 F63 W71 Q74 T111M10-I68 HydrophobicContact SD-CD1 3.65Å; F63-I68 HydrophobicContact CD1-CG1 4.28Å; F63-I68 HydrophobicContact CD2-CG1 4.12Å; F63-I68 HydrophobicContact CE1-CG1 3.75Å; F63-I68 HydrophobicContact CE2-CD1 4.15Å; F63-I68 HydrophobicContact CE2-CG1 3.53Å; F63-I68 HydrophobicContact CG-CG1 4.46Å; F63-I68 HydrophobicContact CZ-CD1 3.86Å; F63-I68 HydrophobicContact CZ-CG1 3.34Å; I68-W71 HydrophobicContact CB-CZ2 4.27Å; I68-W71 HydrophobicContact CD1-CH2 3.34Å; I68-W71 HydrophobicContact CD1-CZ2 3.76Å; I68-W71 HydrophobicContact CD1-CZ3 3.84Å; I68-W71 HydrophobicContact CG2-CD2 3.75Å; I68-W71 HydrophobicContact CG2-CE3 4.09Å; I68-W71 HydrophobicContact CG2-CG 4.14Å; I68-W71 HydrophobicContact CG2-CH2 4.34Å; I68-W71 HydrophobicContact CG2-CZ2 4.09Å; I68-W71 HydrophobicContact CG2-CZ3 4.38Å; I68-Q74 HydrophobicContact CD1-CG 4.4Å; I68-Q74 HydrophobicContact CG2-CB 4.34Å; I68-T111 HydrophobicContact CB-CG2 4.39Å
69N91.9Very high93.3Very high122 Ų12249.9 Ų49.965%0.65224%0.242SC*.  trans-109.7-17.6178-177.479.5000112.1P62 K64 Y67P62-N69 PolarHBondContact O-N 3.03Å; K64-N69 HydrophobicContact CB-CB 4.11Å; Y67-N69 PolarHBondContact O-N 2.82Å
70N94.8Very high93.5Very high58 Ų5850.6 Ų50.631%0.3125%0.246SC..  trans-133.799.3177.8-172.7-31.3000109.6P62 E72 V73 Q74P62-N70 WeakPolarHBondContact CB-O 3.43Å; P62-N70 PolarHBondContact O-N 2.9Å; N70-E72 WeakPolarHBondContact OD1-CB 3.31Å; N70-E72 PolarHBondContact OD1-N 3.11Å; N70-E72 VanDerWaalsContact OD1-N 3.13Å; N70-V73 HydrophobicContact CB-CB 4.3Å; N70-V73 HydrophobicContact CB-CG2 4.33Å; N70-V73 WeakPolarHBondContact ND2-CG2 3.46Å; N70-V73 PolarHBondContact OD1-N 2.96Å; N70-Q74 PolarHBondContact O-N 3.12Å
71W94.8Very high93.6Very high51 Ų5149.4 Ų49.419%0.19324%0.239CC..Hα-helixtrans-69.7-34.7178.3-82.9113.9000113I68 V73 Q74 C75 T111 A114 M115 I118I68-W71 HydrophobicContact CB-CZ2 4.27Å; I68-W71 HydrophobicContact CD1-CH2 3.34Å; I68-W71 HydrophobicContact CD1-CZ2 3.76Å; I68-W71 HydrophobicContact CD1-CZ3 3.84Å; I68-W71 HydrophobicContact CG2-CD2 3.75Å; I68-W71 HydrophobicContact CG2-CE3 4.09Å; I68-W71 HydrophobicContact CG2-CG 4.14Å; I68-W71 HydrophobicContact CG2-CH2 4.34Å; I68-W71 HydrophobicContact CG2-CZ2 4.09Å; I68-W71 HydrophobicContact CG2-CZ3 4.38Å; W71-V73 VanDerWaalsContact C-N 3.34Å; W71-V73 PolarHBondContact O-N 3.08Å; W71-Q74 HydrophobicContact CE3-CB 4.08Å; W71-Q74 HydrophobicContact CE3-CG 4.19Å; W71-Q74 HydrophobicContact CZ3-CB 4.45Å; W71-Q74 HydrophobicContact CZ3-CG 4.04Å; W71-Q74 CarbonylContact O-C 3.5Å; W71-Q74 PolarHBondContact O-N 2.72Å; W71-Q74 VanDerWaalsContact O-N 3.09Å; W71-C75 WeakPolarHBondContact O-CB 3.2Å; W71-C75 PolarHBondContact O-N 3.46Å; W71-C75 PolarHBondContact O-SG 3.33Å; W71-C75 VanDerWaalsContact O-SG 3.33Å; W71-T111 HydrophobicContact CZ2-CG2 3.84Å; W71-A114 HydrophobicContact CZ2-CB 4.11Å; W71-M115 HydrophobicContact CH2-CB 4.4Å; W71-M115 HydrophobicContact CH2-CG 3.33Å; W71-M115 HydrophobicContact CH2-SD 4.47Å; W71-M115 HydrophobicContact CZ2-CG 3.68Å; W71-M115 HydrophobicContact CZ3-CG 4.48Å; W71-I118 HydrophobicContact CB-CD1 4.45Å; W71-I118 HydrophobicContact CD2-CD1 3.56Å; W71-I118 HydrophobicContact CE3-CD1 3.22Å; W71-I118 HydrophobicContact CG-CD1 4.12Å; W71-I118 HydrophobicContact CH2-CD1 4.34Å; W71-I118 HydrophobicContact CZ3-CD1 3.66Å
72E95.6Very high93.7Very high156 Ų15647.2 Ų47.273%0.72923%0.228SC*.Hα-helixtrans-58.1-47.2176.7-175.8-173.4178.600111.2N70 Q74 C75 Q76N70-E72 WeakPolarHBondContact OD1-CB 3.31Å; N70-E72 PolarHBondContact OD1-N 3.11Å; N70-E72 VanDerWaalsContact OD1-N 3.13Å; E72-Q74 VanDerWaalsContact C-N 3.35Å; E72-Q74 PolarHBondContact O-N 3.36Å; E72-C75 PolarHBondContact O-N 2.63Å; E72-Q76 PolarHBondContact O-N 2.63Å
73V96Very high93.5Very high13 Ų1353.7 Ų53.78%0.07926%0.256CS..Hα-helixtrans-64.4-40.7175171.90000111I32 V60 P62 N70 W71 Q76 I77I32-V73 HydrophobicContact CD1-CG1 3.95Å; I32-V73 HydrophobicContact CG1-CG1 4.27Å; V60-V73 HydrophobicContact CG1-CG1 4.15Å; V60-V73 HydrophobicContact CG1-CG2 3.91Å; P62-V73 HydrophobicContact CB-CB 4.22Å; P62-V73 HydrophobicContact CB-CG1 3.96Å; P62-V73 HydrophobicContact CG-CG1 4.15Å; N70-V73 HydrophobicContact CB-CB 4.3Å; N70-V73 HydrophobicContact CB-CG2 4.33Å; N70-V73 WeakPolarHBondContact ND2-CG2 3.46Å; N70-V73 PolarHBondContact OD1-N 2.96Å; W71-V73 VanDerWaalsContact C-N 3.34Å; W71-V73 PolarHBondContact O-N 3.08Å; V73-Q76 PolarHBondContact O-N 2.78Å; V73-I77 HydrophobicContact CG1-CD1 4.01Å; V73-I77 WeakPolarHBondContact O-CD1 3.37Å; V73-I77 WeakPolarHBondContact O-CG1 3.48Å; V73-I77 PolarHBondContact O-N 3.47Å; V73-I77 VanDerWaalsContact O-N 3.13Å
74Q97.4Very high93.5Very high0 Ų055.8 Ų55.80%027%0.272CS..Hα-helixtrans-64.2-45.3179.1-171.459.567.200111.3M10 N30 P62 F63 I68 N70 W71 E72 I77 L78M10-Q74 HydrophobicContact SD-CG 4.16Å; N30-Q74 PolarHBondContact ND2-OE1 2.99Å; N30-Q74 PolarHBondContact OD1-NE2 3.14Å; N30-Q74 PolarHBondContact OD1-OE1 3.49Å; P62-Q74 HydrophobicContact CB-CB 3.8Å; P62-Q74 HydrophobicContact CG-CB 4.31Å; F63-Q74 VanDerWaalsContact CE2-OE1 3.3Å; I68-Q74 HydrophobicContact CD1-CG 4.4Å; I68-Q74 HydrophobicContact CG2-CB 4.34Å; N70-Q74 PolarHBondContact O-N 3.12Å; W71-Q74 HydrophobicContact CE3-CB 4.08Å; W71-Q74 HydrophobicContact CE3-CG 4.19Å; W71-Q74 HydrophobicContact CZ3-CB 4.45Å; W71-Q74 HydrophobicContact CZ3-CG 4.04Å; W71-Q74 CarbonylContact O-C 3.5Å; W71-Q74 PolarHBondContact O-N 2.72Å; W71-Q74 VanDerWaalsContact O-N 3.09Å; E72-Q74 VanDerWaalsContact C-N 3.35Å; E72-Q74 PolarHBondContact O-N 3.36Å; Q74-I77 PolarHBondContact O-N 2.82Å; Q74-L78 HydrophobicContact CG-CD1 4.07Å; Q74-L78 HydrophobicContact CG-CG 4.41Å; Q74-L78 WeakPolarHBondContact O-CB 3.3Å; Q74-L78 VanDerWaalsContact O-CG 3.3Å; Q74-L78 WeakPolarHBondContact O-CG 3.41Å; Q74-L78 PolarHBondContact O-N 3.42Å
75C96.5Very high93.5Very high26 Ų2649.4 Ų49.418%0.17624%0.244CC..Hα-helixtrans-64.3-39.3177.2-67.20000111.4W71 E72 I77 L78 D79 Y123W71-C75 WeakPolarHBondContact O-CB 3.2Å; W71-C75 PolarHBondContact O-N 3.46Å; W71-C75 PolarHBondContact O-SG 3.33Å; W71-C75 VanDerWaalsContact O-SG 3.33Å; E72-C75 PolarHBondContact O-N 2.63Å; C75-I77 VanDerWaalsContact C-N 3.3Å; C75-I77 PolarHBondContact O-N 2.83Å; C75-L78 PolarHBondContact O-N 2.84Å; C75-D79 WeakPolarHBondContact O-CB 3.38Å; C75-D79 PolarHBondContact O-N 3.13Å; C75-Y123 PolarHBondContact O-OH 3.41Å
76Q96.3Very high93.6Very high85 Ų8542.5 Ų42.540%0.39722%0.216SC..Hα-helixtrans-59.7-40.6174.2-175.1178.7-1.700112.5I32 V44 E72 V73 T80I32-Q76 HydrophobicContact CD1-CB 4.12Å; I32-Q76 VanDerWaalsContact CD1-CD 3.43Å; I32-Q76 HydrophobicContact CD1-CG 3.93Å; I32-Q76 VanDerWaalsContact CD1-OE1 3.24Å; V44-Q76 HydrophobicContact CG2-CG 4.4Å; E72-Q76 PolarHBondContact O-N 2.63Å; V73-Q76 PolarHBondContact O-N 2.78Å; Q76-T80 PolarHBondContact O-N 3.21Å; Q76-T80 PolarHBondContact O-OG1 3.22Å
77I96.9Very high93.6Very high0 Ų050.9 Ų50.90%025%0.252CS..Hα-helixtrans-68-46.3175.7-63.9161.5000110.5L15 N30 I32 V44 P62 V73 Q74 C75 T80 T81L15-I77 HydrophobicContact CD1-CG2 3.76Å; N30-I77 WeakPolarHBondContact OD1-CD1 3.45Å; I32-I77 HydrophobicContact CD1-CG1 4.11Å; I32-I77 HydrophobicContact CG1-CD1 4.03Å; I32-I77 HydrophobicContact CG1-CG1 3.69Å; V44-I77 HydrophobicContact CG1-CB 4.21Å; V44-I77 HydrophobicContact CG1-CG1 3.95Å; V44-I77 HydrophobicContact CG1-CG2 4.5Å; P62-I77 HydrophobicContact CG-CD1 3.86Å; V73-I77 HydrophobicContact CG1-CD1 4.01Å; V73-I77 WeakPolarHBondContact O-CD1 3.37Å; V73-I77 WeakPolarHBondContact O-CG1 3.48Å; V73-I77 PolarHBondContact O-N 3.47Å; V73-I77 VanDerWaalsContact O-N 3.13Å; Q74-I77 PolarHBondContact O-N 2.82Å; C75-I77 VanDerWaalsContact C-N 3.3Å; C75-I77 PolarHBondContact O-N 2.83Å; I77-T80 PolarHBondContact O-N 2.88Å; I77-T81 WeakPolarHBondContact O-CB 3.4Å; I77-T81 PolarHBondContact O-N 3.29Å; I77-T81 PolarHBondContact O-OG1 3.04Å
78L96.2Very high93.4Very high0 Ų053 Ų530%027%0.269CS..Hα-helixtrans-62.4-44.9179.6-72.2175.2000111.5L8 L15 Q74 C75 T80 T81 L82 F119 Y123L8-L78 HydrophobicContact CD2-CD2 3.76Å; L15-L78 HydrophobicContact CD1-CD2 4.27Å; Q74-L78 HydrophobicContact CG-CD1 4.07Å; Q74-L78 HydrophobicContact CG-CG 4.41Å; Q74-L78 WeakPolarHBondContact O-CB 3.3Å; Q74-L78 VanDerWaalsContact O-CG 3.3Å; Q74-L78 WeakPolarHBondContact O-CG 3.41Å; Q74-L78 PolarHBondContact O-N 3.42Å; C75-L78 PolarHBondContact O-N 2.84Å; L78-T80 VanDerWaalsContact C-N 3.34Å; L78-T80 PolarHBondContact O-N 2.96Å; L78-T81 PolarHBondContact O-N 2.96Å; L78-L82 HydrophobicContact CB-CD1 4.26Å; L78-L82 WeakPolarHBondContact O-CB 3.43Å; L78-L82 WeakPolarHBondContact O-CG 3.37Å; L78-L82 PolarHBondContact O-N 3.41Å; L78-F119 HydrophobicContact CD1-CE1 4.32Å; L78-F119 HydrophobicContact CD1-CZ 4.21Å; L78-Y123 HydrophobicContact CB-CE2 4.47Å; L78-Y123 VanDerWaalsContact CB-OH 3.31Å; L78-Y123 WeakPolarHBondContact CB-OH 3.33Å; L78-Y123 HydrophobicContact CD1-CE2 4.25Å
79D94.9Very high93Very high59 Ų5954.3 Ų54.332%0.31628%0.276SS..Hα-helixtrans-56.7-47.8178.7-75.9-5000112.1C75 K83 Y123C75-D79 WeakPolarHBondContact O-CB 3.38Å; C75-D79 PolarHBondContact O-N 3.13Å; D79-K83 VanDerWaalsContact O-CB 3.25Å; D79-K83 WeakPolarHBondContact O-CB 3.36Å; D79-K83 VanDerWaalsContact O-CD 3.31Å; D79-K83 WeakPolarHBondContact O-CD 3.42Å; D79-K83 WeakPolarHBondContact O-CG 3.3Å; D79-K83 PolarHBondContact O-N 3.37Å; D79-Y123 VanDerWaalsContact OD1-CE1 3.28Å; D79-Y123 WeakPolarHBondContact OD1-CE1 3.4Å; D79-Y123 PolarHBondContact OD1-OH 3.09Å
80T93.8Very high92.7Very high46 Ų4653.5 Ų53.528%0.28228%0.28SS..Hα-helixtrans-65.2-45179.8-53.50000110.4V44 Q76 I77 L78 S84V44-T80 HydrophobicContact CB-CG2 4.23Å; V44-T80 HydrophobicContact CG1-CG2 4.21Å; Q76-T80 PolarHBondContact O-N 3.21Å; Q76-T80 PolarHBondContact O-OG1 3.22Å; I77-T80 PolarHBondContact O-N 2.88Å; L78-T80 VanDerWaalsContact C-N 3.34Å; L78-T80 PolarHBondContact O-N 2.96Å; T80-S84 WeakPolarHBondContact O-CB 3.21Å; T80-S84 PolarHBondContact O-N 3.12Å
81T93.7Very high92Very high6 Ų653.8 Ų53.84%0.03728%0.28CS..Hα-helixtrans-63.4-53-179.6-67.60000112I17 I28 I77 L78 S84 I85I17-T81 HydrophobicContact CD1-CG2 4.04Å; I17-T81 HydrophobicContact CG2-CG2 3.75Å; I28-T81 HydrophobicContact CD1-CG2 3.27Å; I77-T81 WeakPolarHBondContact O-CB 3.4Å; I77-T81 PolarHBondContact O-N 3.29Å; I77-T81 PolarHBondContact O-OG1 3.04Å; L78-T81 PolarHBondContact O-N 2.96Å; T81-S84 WeakPolarHBondContact O-CB 3.08Å; T81-S84 PolarHBondContact O-N 3.3Å; T81-I85 HydrophobicContact CG2-CD1 3.9Å; T81-I85 WeakPolarHBondContact O-CG1 3.46Å; T81-I85 PolarHBondContact O-N 3.13Å; T81-I85 VanDerWaalsContact O-N 3.1Å
82L92.7Very high91.1Very high8 Ų859.2 Ų59.24%0.04231%0.312CS..Hα-helixtrans-60.5-53-178.7-74.1173.7000109.3L6 I17 L78 S84 I85 V86 F94 Y123L6-L82 HydrophobicContact CD2-CD2 3.69Å; I17-L82 HydrophobicContact CD1-CD2 3.7Å; L78-L82 HydrophobicContact CB-CD1 4.26Å; L78-L82 WeakPolarHBondContact O-CB 3.43Å; L78-L82 WeakPolarHBondContact O-CG 3.37Å; L78-L82 PolarHBondContact O-N 3.41Å; L82-S84 PolarHBondContact O-N 3.28Å; L82-S84 VanDerWaalsContact O-N 3.16Å; L82-I85 WeakPolarHBondContact O-CA 3.39Å; L82-I85 WeakPolarHBondContact O-CB 3.31Å; L82-I85 PolarHBondContact O-N 3.05Å; L82-V86 PolarHBondContact O-N 2.86Å; L82-F94 HydrophobicContact CB-CD1 4.27Å; L82-F94 HydrophobicContact CB-CE1 3.46Å; L82-F94 VanDerWaalsContact CB-CE1 3.46Å; L82-F94 HydrophobicContact CB-CE2 4.21Å; L82-F94 HydrophobicContact CB-CZ 3.49Å; L82-F94 VanDerWaalsContact CB-CZ 3.49Å; L82-F94 HydrophobicContact CD2-CD1 3.99Å; L82-F94 HydrophobicContact CD2-CE1 3.75Å; L82-F94 HydrophobicContact CG-CE1 4.15Å; L82-F94 VanDerWaalsContact O-CE1 3.32Å; L82-F94 WeakPolarHBondContact O-CE1 3.14Å; L82-F94 WeakPolarHBondContact O-CZ 3.05Å; L82-Y123 HydrophobicContact CD1-CD1 3.77Å; L82-Y123 HydrophobicContact CD1-CE1 3.53Å; L82-Y123 HydrophobicContact CD1-CE2 4.37Å; L82-Y123 HydrophobicContact CD1-CG 4.32Å
83K91.3Very high90.5Very high137 Ų13753.8 Ų53.860%0.59629%0.291SS*.Hα-helixtrans-52.2-41.2178.1-74.8169.1-172.7165.90112.1D79 K87D79-K83 VanDerWaalsContact O-CB 3.25Å; D79-K83 WeakPolarHBondContact O-CB 3.36Å; D79-K83 VanDerWaalsContact O-CD 3.31Å; D79-K83 WeakPolarHBondContact O-CD 3.42Å; D79-K83 WeakPolarHBondContact O-CG 3.3Å; D79-K83 PolarHBondContact O-N 3.37Å; K83-K87 VanDerWaalsContact O-CB 3.28Å; K83-K87 WeakPolarHBondContact O-CB 3.12Å; K83-K87 PolarHBondContact O-N 3.14Å; K83-K87 VanDerWaalsContact O-N 3.12Å
84S90.6Very high90Very high56 Ų5655 Ų5539%0.39230%0.296SS..Hα-helixtrans-62.3-40.7175.3179.60000112.7T80 T81 L82 T88T80-S84 WeakPolarHBondContact O-CB 3.21Å; T80-S84 PolarHBondContact O-N 3.12Å; T81-S84 WeakPolarHBondContact O-CB 3.08Å; T81-S84 PolarHBondContact O-N 3.3Å; L82-S84 PolarHBondContact O-N 3.28Å; L82-S84 VanDerWaalsContact O-N 3.16Å; S84-T88 WeakPolarHBondContact O-CB 3.17Å; S84-T88 PolarHBondContact O-N 2.87Å; S84-T88 PolarHBondContact O-OG1 3.27Å
85I90.9Very high89.5Confident1 Ų156.3 Ų56.31%0.00531%0.305CS..Hα-helixtrans-72.2-46.5-177.8-68.8167.7000112.2L6 I17 F19 K26 T81 L82 K87 T88 N89L6-I85 HydrophobicContact CD1-CG2 4.26Å; I17-I85 HydrophobicContact CB-CD1 3.84Å; I17-I85 HydrophobicContact CD1-CD1 3.35Å; I17-I85 HydrophobicContact CG1-CD1 3.41Å; I17-I85 VanDerWaalsContact CG1-CD1 3.41Å; I17-I85 HydrophobicContact CG2-CD1 3.26Å; I17-I85 HydrophobicContact CG2-CG1 4.5Å; F19-I85 HydrophobicContact CD2-CG2 4.01Å; F19-I85 HydrophobicContact CE2-CG2 3.62Å; F19-I85 HydrophobicContact CZ-CG2 4.48Å; K26-I85 HydrophobicContact CD-CG1 4.27Å; T81-I85 HydrophobicContact CG2-CD1 3.9Å; T81-I85 WeakPolarHBondContact O-CG1 3.46Å; T81-I85 PolarHBondContact O-N 3.13Å; T81-I85 VanDerWaalsContact O-N 3.1Å; L82-I85 WeakPolarHBondContact O-CA 3.39Å; L82-I85 WeakPolarHBondContact O-CB 3.31Å; L82-I85 PolarHBondContact O-N 3.05Å; I85-K87 VanDerWaalsContact C-N 3.31Å; I85-K87 PolarHBondContact O-N 3.2Å; I85-T88 PolarHBondContact O-N 3.46Å; I85-N89 WeakPolarHBondContact O-CB 3.31Å; I85-N89 PolarHBondContact O-N 3.39Å; I85-N89 PolarHBondContact O-ND2 3.39Å
86V88.4Confident89.2Confident16 Ų1659.6 Ų59.610%0.09732%0.321CS..Hα-helixtrans-61.4-41.8176.1151.40000111L82 T88 N89 S90 Q91 F94L82-V86 PolarHBondContact O-N 2.86Å; V86-T88 PolarHBondContact O-N 3.48Å; V86-N89 PolarHBondContact O-N 3.21Å; V86-S90 PolarHBondContact O-N 3.12Å; V86-S90 VanDerWaalsContact O-N 3.12Å; V86-Q91 HydrophobicContact CB-CB 4.27Å; V86-Q91 HydrophobicContact CG1-CB 4.04Å; V86-Q91 WeakPolarHBondContact CG1-O 3.5Å; V86-Q91 HydrophobicContact CG2-CB 3.89Å; V86-Q91 PolarHBondContact O-N 2.99Å; V86-F94 HydrophobicContact CB-CE1 3.74Å; V86-F94 HydrophobicContact CB-CE2 4.05Å; V86-F94 HydrophobicContact CB-CZ 3.38Å; V86-F94 HydrophobicContact CG1-CE2 4.43Å; V86-F94 HydrophobicContact CG1-CZ 4.22Å; V86-F94 HydrophobicContact CG2-CD1 3.44Å; V86-F94 VanDerWaalsContact CG2-CD1 3.44Å; V86-F94 HydrophobicContact CG2-CD2 4.12Å; V86-F94 HydrophobicContact CG2-CE1 2.98Å; V86-F94 HydrophobicContact CG2-CE2 3.71Å; V86-F94 HydrophobicContact CG2-CG 3.96Å; V86-F94 HydrophobicContact CG2-CZ 3.09Å
87K88.2Confident89.1Confident177 Ų17756 Ų5677%0.7730%0.304SS*.Hα-helixtrans-62.1-43.3174.3-174.9178.9179.2-178.60112.4K83 I85 N89 S90K83-K87 VanDerWaalsContact O-CB 3.28Å; K83-K87 WeakPolarHBondContact O-CB 3.12Å; K83-K87 PolarHBondContact O-N 3.14Å; K83-K87 VanDerWaalsContact O-N 3.12Å; I85-K87 VanDerWaalsContact C-N 3.31Å; I85-K87 PolarHBondContact O-N 3.2Å; K87-N89 VanDerWaalsContact C-N 3.33Å; K87-N89 PolarHBondContact O-N 3.08Å; K87-S90 PolarHBondContact O-N 3.16Å
88T87.3Confident89.1Confident83 Ų8357.4 Ų57.451%0.50931%0.311SS..Hα-helixtrans-65.4-38.2-179.7-56.30000111.6K26 S84 I85 V86 S90K26-T88 PolarHBondContact NZ-OG1 3.1Å; S84-T88 WeakPolarHBondContact O-CB 3.17Å; S84-T88 PolarHBondContact O-N 2.87Å; S84-T88 PolarHBondContact O-OG1 3.27Å; I85-T88 PolarHBondContact O-N 3.46Å; V86-T88 PolarHBondContact O-N 3.48Å; T88-S90 VanDerWaalsContact C-N 3.34Å
89N85.8Confident89.1Confident40 Ų4057.6 Ų57.621%0.21431%0.312CS..THydrogen-bonded Turntrans-91.910.8-177.6-81.8-68.2000114.2F19 D22 I85 V86 K87 Q91F19-N89 HydrophobicContact CD2-CB 3.91Å; F19-N89 WeakPolarHBondContact CD2-ND2 3.25Å; F19-N89 HydrophobicContact CE2-CB 3.77Å; D22-N89 PolarHBondContact OD1-OD1 3.33Å; D22-N89 VanDerWaalsContact OD1-OD1 3.12Å; D22-N89 PolarHBondContact OD2-ND2 2.93Å; I85-N89 WeakPolarHBondContact O-CB 3.31Å; I85-N89 PolarHBondContact O-N 3.39Å; I85-N89 PolarHBondContact O-ND2 3.39Å; V86-N89 PolarHBondContact O-N 3.21Å; K87-N89 VanDerWaalsContact C-N 3.33Å; K87-N89 PolarHBondContact O-N 3.08Å; N89-Q91 HydrophobicContact CB-CG 3.97Å; N89-Q91 PolarHBondContact O-N 3.15Å; N89-Q91 VanDerWaalsContact O-N 3.11Å; N89-Q91 PolarHBondContact O-NE2 3.46Å
90S84.3Confident89.3Confident105 Ų10554.8 Ų54.873%0.73430%0.297SS*.THydrogen-bonded Turntrans50.734.4-178.6-54.80000113.6V86 K87 T88V86-S90 PolarHBondContact O-N 3.12Å; V86-S90 VanDerWaalsContact O-N 3.12Å; K87-S90 PolarHBondContact O-N 3.16Å; T88-S90 VanDerWaalsContact C-N 3.34Å
91Q80.9Confident89.4Confident65 Ų6552.6 Ų52.630%0.30428%0.284SS..  trans-86154176-62.7-58.7-41.900109.5F19 V86 N89 H97F19-Q91 HydrophobicContact CE2-CG 4.05Å; F19-Q91 HydrophobicContact CZ-CG 3.89Å; V86-Q91 HydrophobicContact CB-CB 4.27Å; V86-Q91 HydrophobicContact CG1-CB 4.04Å; V86-Q91 WeakPolarHBondContact CG1-O 3.5Å; V86-Q91 HydrophobicContact CG2-CB 3.89Å; V86-Q91 PolarHBondContact O-N 2.99Å; N89-Q91 HydrophobicContact CB-CG 3.97Å; N89-Q91 PolarHBondContact O-N 3.15Å; N89-Q91 VanDerWaalsContact O-N 3.11Å; N89-Q91 PolarHBondContact O-NE2 3.46Å; Q91-H97 PolarHBondContact OE1-CE1 3.22Å; Q91-H97 PolarHBondContact OE1-NE2 2.87Å; Q91-H97 VanDerWaalsContact OE1-NE2 3.12Å
92N76Confident89.6Confident164 Ų16452.5 Ų52.588%0.87728%0.284SS*.SBendtrans-94.8-32.9179.7-70-26.9000112.8
93S82.7Confident89.6Confident42 Ų4252.4 Ų52.429%0.29428%0.283SS..  trans-152.8155-177.4-173.70000111.1S95 H97S93-S95 WeakPolarHBondContact CB-OG 3.36Å; S93-S95 WeakPolarHBondContact OG-CB 3.19Å; S93-S95 PolarHBondContact OG-N 3.36Å; S93-S95 VanDerWaalsContact OG-N 3.12Å; S93-S95 PolarHBondContact OG-OG 3.39Å; S93-H97 PolarHBondContact O-CD2 3.38Å; S93-H97 PolarHBondContact O-NE2 3.34Å
94F84.4Confident89.6Confident38 Ų3846.6 Ų46.617%0.16726%0.259CS..SBendtrans-80.4-21.4168.7-54.8-87.8000112.1L6 L82 V86 D96 H97L6-F94 HydrophobicContact CD2-CD1 4.48Å; L82-F94 HydrophobicContact CB-CD1 4.27Å; L82-F94 HydrophobicContact CB-CE1 3.46Å; L82-F94 VanDerWaalsContact CB-CE1 3.46Å; L82-F94 HydrophobicContact CB-CE2 4.21Å; L82-F94 HydrophobicContact CB-CZ 3.49Å; L82-F94 VanDerWaalsContact CB-CZ 3.49Å; L82-F94 HydrophobicContact CD2-CD1 3.99Å; L82-F94 HydrophobicContact CD2-CE1 3.75Å; L82-F94 HydrophobicContact CG-CE1 4.15Å; L82-F94 VanDerWaalsContact O-CE1 3.32Å; L82-F94 WeakPolarHBondContact O-CE1 3.14Å; L82-F94 WeakPolarHBondContact O-CZ 3.05Å; V86-F94 HydrophobicContact CB-CE1 3.74Å; V86-F94 HydrophobicContact CB-CE2 4.05Å; V86-F94 HydrophobicContact CB-CZ 3.38Å; V86-F94 HydrophobicContact CG1-CE2 4.43Å; V86-F94 HydrophobicContact CG1-CZ 4.22Å; V86-F94 HydrophobicContact CG2-CD1 3.44Å; V86-F94 VanDerWaalsContact CG2-CD1 3.44Å; V86-F94 HydrophobicContact CG2-CD2 4.12Å; V86-F94 HydrophobicContact CG2-CE1 2.98Å; V86-F94 HydrophobicContact CG2-CE2 3.71Å; V86-F94 HydrophobicContact CG2-CG 3.96Å; V86-F94 HydrophobicContact CG2-CZ 3.09Å; F94-D96 PolarHBondContact O-N 3.06Å; F94-D96 VanDerWaalsContact O-N 3.11Å; F94-H97 PolarHBondContact O-N 3.21Å; F94-H97 VanDerWaalsContact O-N 3.08Å
95S88.2Confident89.4Confident28 Ų2844.3 Ų44.320%0.19624%0.242CC..THydrogen-bonded Turntrans-62.7-21.7-173.159.90000114.2S93 Q124 A126S93-S95 WeakPolarHBondContact CB-OG 3.36Å; S93-S95 WeakPolarHBondContact OG-CB 3.19Å; S93-S95 PolarHBondContact OG-N 3.36Å; S93-S95 VanDerWaalsContact OG-N 3.12Å; S93-S95 PolarHBondContact OG-OG 3.39Å; S95-Q124 VanDerWaalsContact CA-O 3.24Å; S95-Q124 WeakPolarHBondContact CA-O 3.32Å; S95-A126 PolarHBondContact O-N 2.77Å
96D89.8Confident89.2Confident96 Ų9649.7 Ų49.751%0.51327%0.266SS..THydrogen-bonded Turntrans-89.6-6-177.7-56.7-29.3000112.4S3 F94S3-D96 WeakPolarHBondContact CB-O 3.43Å; S3-D96 PolarHBondContact OG-O 2.73Å; F94-D96 PolarHBondContact O-N 3.06Å; F94-D96 VanDerWaalsContact O-N 3.11Å
97H94.3Very high89.3Confident8 Ų849.5 Ų49.54%0.03726%0.264CS..SBendtrans-109.7145.6-173.5-57.5-76.6000111.7S3 P4 F19 Q91 S93 F94 A126S3-H97 WeakPolarHBondContact CB-ND1 3.3Å; P4-H97 PolarHBondContact O-ND1 3.39Å; F19-H97 HydrophobicContact CE1-CB 4.35Å; F19-H97 AromaticContact CE1-CE1 3.99Å; F19-H97 AromaticContact CE1-CG 3.78Å; F19-H97 AromaticContact CE1-ND1 3.77Å; Q91-H97 PolarHBondContact OE1-CE1 3.22Å; Q91-H97 PolarHBondContact OE1-NE2 2.87Å; Q91-H97 VanDerWaalsContact OE1-NE2 3.12Å; S93-H97 PolarHBondContact O-CD2 3.38Å; S93-H97 PolarHBondContact O-NE2 3.34Å; F94-H97 PolarHBondContact O-N 3.21Å; F94-H97 VanDerWaalsContact O-N 3.08Å; H97-A126 PolarHBondContact O-N 3.49Å
98N96.3Very high89.5Confident30 Ų3046.4 Ų46.416%0.1625%0.251CS..EExtended strand (participates in β ladder)trans-76.8154.1166.5-62.7-42.8000110.1T5 L6 G127 F393 L397T5-N98 HydrophobicContact CG2-CB 4.09Å; L6-N98 PolarHBondContact N-O 3.24Å; N98-G127 CarbonylContact C-O 3.49Å; N98-G127 VanDerWaalsContact CA-O 3.3Å; N98-G127 WeakPolarHBondContact CA-O 3.44Å; N98-G127 WeakPolarHBondContact OD1-CA 3.48Å; N98-G127 PolarHBondContact OD1-N 3.13Å; N98-G127 VanDerWaalsContact OD1-N 3.14Å; N98-F393 HydrophobicContact CB-CZ 3.92Å; N98-L397 HydrophobicContact CB-CD1 4.29Å
99L97.2Very high89.7Confident4 Ų446.4 Ų46.42%0.02125%0.254CS..EExtended strand (participates in β ladder)trans-124.6126.9178.9175.962.3000111L6 L8 V101 F119 V125 G127 L128 I129L6-L99 HydrophobicContact CB-CD1 4.14Å; L6-L99 HydrophobicContact CD2-CD1 4.05Å; L6-L99 HydrophobicContact CG-CD1 3.98Å; L6-L99 CarbonylContact O-C 3.6Å; L6-L99 WeakPolarHBondContact O-CA 3.35Å; L8-L99 HydrophobicContact CB-CD1 3.96Å; L99-V101 HydrophobicContact CD2-CB 4.37Å; L99-V101 HydrophobicContact CG-CB 4.25Å; L99-F119 HydrophobicContact CD2-CB 4.3Å; L99-F119 HydrophobicContact CD2-CD1 3.31Å; L99-F119 HydrophobicContact CD2-CD2 4.16Å; L99-F119 HydrophobicContact CD2-CE1 3.55Å; L99-F119 HydrophobicContact CD2-CE2 4.37Å; L99-F119 HydrophobicContact CD2-CG 3.67Å; L99-F119 HydrophobicContact CD2-CZ 4.09Å; L99-V125 HydrophobicContact CB-CB 4.35Å; L99-V125 HydrophobicContact CB-CG1 4.08Å; L99-V125 HydrophobicContact CB-CG2 4.45Å; L99-V125 HydrophobicContact CD2-CG1 4.18Å; L99-G127 PolarHBondContact N-O 3.09Å; L99-L128 HydrophobicContact CB-CD1 4.01Å; L99-L128 HydrophobicContact CD2-CD1 3.82Å; L99-L128 HydrophobicContact CG-CD1 3.91Å; L99-L128 CarbonylContact O-C 3.5Å; L99-L128 WeakPolarHBondContact O-CA 3.5Å; L99-I129 PolarHBondContact O-N 3.41Å
100I97.9Very high90.1Very high0 Ų048.3 Ų48.30%027%0.271CS..EExtended strand (participates in β ladder)trans-98.3123.8159.6-58.7177.7000107.5T5 L6 I7 L8 I129 T131 L136 F386 C387 F393T5-I100 HydrophobicContact CG2-CD1 4.3Å; T5-I100 HydrophobicContact CG2-CG1 3.97Å; L6-I100 PolarHBondContact O-N 2.85Å; I7-I100 HydrophobicContact CG1-CB 4.36Å; I7-I100 HydrophobicContact CG1-CD1 4.27Å; I7-I100 HydrophobicContact CG2-CB 4.44Å; L8-I100 PolarHBondContact N-O 2.83Å; I100-I129 WeakPolarHBondContact CA-O 3.48Å; I100-I129 HydrophobicContact CG1-CB 4.27Å; I100-I129 HydrophobicContact CG1-CD1 4.45Å; I100-T131 HydrophobicContact CG2-CG2 4.17Å; I100-L136 HydrophobicContact CG2-CD1 4.09Å; I100-L136 HydrophobicContact CG2-CD2 4.31Å; I100-F386 HydrophobicContact CD1-CD1 3.78Å; I100-F386 HydrophobicContact CD1-CE1 4.39Å; I100-C387 WeakPolarHBondContact CD1-SG 3.36Å; I100-F393 HydrophobicContact CD1-CD2 4.3Å; I100-F393 HydrophobicContact CD1-CE2 3.94Å; I100-F393 HydrophobicContact CG1-CE2 4.02Å
101V97.6Very high90.5Very high0 Ų043.9 Ų43.90%024%0.239CC..EExtended strand (participates in β ladder)trans-127.3135.9177.4670000111.7L8 M10 L99 M115 F119 L128 I129 R130 T131L8-V101 HydrophobicContact CB-CG2 4.28Å; L8-V101 HydrophobicContact CD2-CG2 3.96Å; L8-V101 HydrophobicContact CG-CG2 4Å; L8-V101 VanDerWaalsContact O-CA 3.28Å; L8-V101 WeakPolarHBondContact O-CA 3.17Å; M10-V101 HydrophobicContact CB-CG2 4.35Å; M10-V101 HydrophobicContact CE-CG2 3.43Å; M10-V101 VanDerWaalsContact CE-CG2 3.43Å; L99-V101 HydrophobicContact CD2-CB 4.37Å; L99-V101 HydrophobicContact CG-CB 4.25Å; V101-M115 HydrophobicContact CG1-CE 3.94Å; V101-M115 HydrophobicContact CG2-CE 3.93Å; V101-F119 HydrophobicContact CB-CE2 4.38Å; V101-F119 HydrophobicContact CG1-CD2 4.31Å; V101-F119 HydrophobicContact CG1-CE2 4.04Å; V101-F119 HydrophobicContact CG2-CE2 4Å; V101-F119 HydrophobicContact CG2-CZ 4.12Å; V101-L128 HydrophobicContact CG1-CD1 3.77Å; V101-I129 PolarHBondContact N-O 3.43Å; V101-R130 HydrophobicContact CG1-CB 4.46Å; V101-R130 HydrophobicContact CG1-CG 3.64Å; V101-R130 WeakPolarHBondContact O-CA 3.47Å; V101-T131 PolarHBondContact O-N 2.98Å
102T96.4Very high91.2Very high5 Ų542 Ų423%0.03123%0.23CC..EExtended strand (participates in β ladder)trans-86148.2175.867.60000112L8 D9 M10 T131 L136L8-T102 PolarHBondContact O-N 2.75Å; D9-T102 VanDerWaalsContact CA-OG1 3.25Å; D9-T102 WeakPolarHBondContact CA-OG1 3.37Å; D9-T102 HydrophobicContact CB-CG2 4.21Å; D9-T102 PolarHBondContact OD1-OG1 3.14Å; M10-T102 PolarHBondContact N-OG1 3.38Å; T102-T131 CarbonylContact C-O 3.28Å; T102-T131 VanDerWaalsContact CA-O 3.23Å; T102-T131 WeakPolarHBondContact CA-O 3.42Å; T102-L136 HydrophobicContact CG2-CD1 3.83Å
103E94.2Very high92.1Very high6 Ų639 Ų393%0.02821%0.21CC..  trans-132.3155.7171.967.3170.4-159.900111.6N107 K112 M115 R130 T131 N132 T417E103-N107 PolarHBondContact OE2-ND2 3.36Å; E103-N107 VanDerWaalsContact OE2-ND2 3.13Å; E103-K112 VanDerWaalsContact OE1-CE 3.27Å; E103-K112 WeakPolarHBondContact OE1-CE 3.23Å; E103-K112 IonicContact OE1-NZ 3.58Å; E103-M115 HydrophobicContact CB-CE 4.16Å; E103-M115 HydrophobicContact CB-SD 4.11Å; E103-R130 IonicContact OE1-NH1 3.43Å; E103-R130 IonicContact OE2-CZ 3.89Å; E103-R130 IonicContact OE2-NH1 3.96Å; E103-R130 PolarHBondContact OE2-NH1 3.12Å; E103-T131 PolarHBondContact N-O 3.32Å; E103-N132 PolarHBondContact O-ND2 3.26Å; E103-T417 HydrophobicContact CG-CG2 4.16Å; E103-T417 VanDerWaalsContact OE1-CG2 3.3Å; E103-T417 WeakPolarHBondContact OE1-CG2 3.5Å
104P89.9Confident92.7Very high14 Ų1437.9 Ų37.99%0.09120%0.204CC..  trans-63.3152.9174.428.1-36.5000111.6Y67 N107 F162Y67-P104 HydrophobicContact CD1-CG 4.02Å; Y67-P104 HydrophobicContact CE1-CG 4.28Å; P104-N107 HydrophobicContact CG-CB 4.25Å; P104-N107 PolarHBondContact O-N 2.98Å; P104-F162 HydrophobicContact CB-CE1 4.11Å; P104-F162 HydrophobicContact CB-CZ 4.07Å
105Y85.9Confident93.2Very high8 Ų836.1 Ų36.13%0.03120%0.196CC..THydrogen-bonded Turntrans-62.4142.2172.1-47.4-93.8000110N107 N132 P133 A134 H164 V166 V178Y105-N107 VanDerWaalsContact C-N 3.29Å; Y105-N107 PolarHBondContact O-N 2.8Å; Y105-N132 HydrophobicContact CD1-CB 4.04Å; Y105-N132 HydrophobicContact CE1-CB 3.59Å; Y105-P133 HydrophobicContact CE2-CG 4.34Å; Y105-A134 HydrophobicContact CE1-CB 4.04Å; Y105-A134 WeakPolarHBondContact OH-CB 3.47Å; Y105-A134 PolarHBondContact OH-N 3.49Å; Y105-H164 HydrophobicContact CD2-CB 3.95Å; Y105-H164 AromaticContact CD2-CD2 3.33Å; Y105-H164 WeakPolarHBondContact CD2-CD2 3.4Å; Y105-H164 AromaticContact CD2-CE1 3.43Å; Y105-H164 VanDerWaalsContact CD2-CE1 3.43Å; Y105-H164 WeakPolarHBondContact CD2-CE1 3.47Å; Y105-H164 AromaticContact CD2-CG 3.27Å; Y105-H164 AromaticContact CD2-ND1 3.33Å; Y105-H164 VanDerWaalsContact CD2-ND1 3.33Å; Y105-H164 WeakPolarHBondContact CD2-ND1 3.34Å; Y105-H164 AromaticContact CD2-NE2 3.45Å; Y105-H164 WeakPolarHBondContact CD2-NE2 3.09Å; Y105-H164 HydrophobicContact CE2-CB 3.72Å; Y105-H164 AromaticContact CE2-CG 3.5Å; Y105-H164 VanDerWaalsContact CE2-CG 3.5Å; Y105-H164 AromaticContact CE2-ND1 3.53Å; Y105-H164 AromaticContact CG-CD2 3.81Å; Y105-V166 HydrophobicContact CD1-CG2 4.2Å; Y105-V166 HydrophobicContact CE1-CB 4.42Å; Y105-V166 HydrophobicContact CE1-CG1 3.99Å; Y105-V166 HydrophobicContact CE1-CG2 3.54Å; Y105-V166 HydrophobicContact CE2-CG2 4.3Å; Y105-V178 HydrophobicContact CD1-CG1 4.45Å
106F86.7Confident93.6Very high115 Ų11534.8 Ų34.850%0.50419%0.187SC..THydrogen-bonded Turntrans56.941.4-178.3-43.2-73.3000113.2Y67 V178Y67-F106 PolarHBondContact OH-O 2.64Å; F106-V178 HydrophobicContact CE2-CB 4.07Å; F106-V178 HydrophobicContact CE2-CG1 3.75Å; F106-V178 HydrophobicContact CZ-CB 3.73Å; F106-V178 HydrophobicContact CZ-CG1 3.96Å
107N90.8Very high93.9Very high12 Ų1235.1 Ų35.16%0.06419%0.185CC..  trans-62.5146.6174.2-157.512.2000111E103 P104 Y105 T111 K112E103-N107 PolarHBondContact OE2-ND2 3.36Å; E103-N107 VanDerWaalsContact OE2-ND2 3.13Å; P104-N107 HydrophobicContact CG-CB 4.25Å; P104-N107 PolarHBondContact O-N 2.98Å; Y105-N107 VanDerWaalsContact C-N 3.29Å; Y105-N107 PolarHBondContact O-N 2.8Å; N107-T111 WeakPolarHBondContact OD1-CB 3.37Å; N107-T111 WeakPolarHBondContact OD1-CG2 3.48Å; N107-K112 HydrophobicContact CB-CG 3.99Å
108F92.5Very high94Very high112 Ų11235.4 Ų35.449%0.49119%0.187SC..  trans-70.2140.3178.8-61-73.4000110.5Y67 S110 T111 K112Y67-F108 HydrophobicContact CD1-CD2 4.08Å; Y67-F108 AromaticContact CD1-CE2 3.93Å; Y67-F108 HydrophobicContact CD1-CE2 3.93Å; Y67-F108 AromaticContact CD2-CE2 3.98Å; Y67-F108 HydrophobicContact CD2-CE2 3.98Å; Y67-F108 HydrophobicContact CE1-CD2 4.39Å; Y67-F108 HydrophobicContact CE1-CE2 4.12Å; Y67-F108 HydrophobicContact CE2-CE2 4.13Å; Y67-F108 HydrophobicContact CE2-CZ 4.45Å; Y67-F108 HydrophobicContact CG-CD2 4.33Å; Y67-F108 AromaticContact CG-CE2 3.85Å; Y67-F108 HydrophobicContact CG-CE2 3.85Å; F108-S110 PolarHBondContact O-N 3.3Å; F108-T111 WeakPolarHBondContact O-CA 3.07Å; F108-T111 WeakPolarHBondContact O-CB 3.25Å; F108-T111 PolarHBondContact O-N 3.29Å; F108-K112 WeakPolarHBondContact O-CG 3.28Å; F108-K112 PolarHBondContact O-N 3.04Å
109S92.4Very high94.1Very high82 Ų8234 Ų3457%0.57318%0.18SC*.Hα-helixtrans-53.4-39.9178.4-53.20000112.5T111 K112 E113S109-T111 VanDerWaalsContact C-N 3.33Å; S109-T111 PolarHBondContact O-N 2.9Å; S109-K112 WeakPolarHBondContact O-CB 3.3Å; S109-K112 PolarHBondContact O-N 3.23Å; S109-E113 WeakPolarHBondContact O-CB 3.15Å; S109-E113 VanDerWaalsContact O-CG 3.32Å; S109-E113 WeakPolarHBondContact O-CG 3.3Å; S109-E113 PolarHBondContact O-N 3.42Å
110S93.1Very high94.1Very high81 Ų8134 Ų3457%0.56618%0.179SC*.Hα-helixtrans-62.2-37.5175.657.50000113.1F108 A114F108-S110 PolarHBondContact O-N 3.3Å; S110-A114 WeakPolarHBondContact O-CB 3.45Å; S110-A114 PolarHBondContact O-N 2.63Å
111T93.5Very high94Very high11 Ų1138.9 Ų38.97%0.06720%0.202CC..Hα-helixtrans-71.3-37.8176.7-54.80000110.8I68 W71 N107 F108 S109 A114 M115I68-T111 HydrophobicContact CB-CG2 4.39Å; W71-T111 HydrophobicContact CZ2-CG2 3.84Å; N107-T111 WeakPolarHBondContact OD1-CB 3.37Å; N107-T111 WeakPolarHBondContact OD1-CG2 3.48Å; F108-T111 WeakPolarHBondContact O-CA 3.07Å; F108-T111 WeakPolarHBondContact O-CB 3.25Å; F108-T111 PolarHBondContact O-N 3.29Å; S109-T111 VanDerWaalsContact C-N 3.33Å; S109-T111 PolarHBondContact O-N 2.9Å; T111-A114 PolarHBondContact O-N 2.88Å; T111-M115 WeakPolarHBondContact O-CG 3.42Å; T111-M115 PolarHBondContact O-N 3.07Å
112K94.7Very high93.8Very high25 Ų2544.3 Ų44.311%0.10923%0.231CC..Hα-helixtrans-64.7-43.6175.6-66.4-177.1168.6-162.50112.4E103 N107 F108 S109 M115 N116 R130 E412E103-K112 VanDerWaalsContact OE1-CE 3.27Å; E103-K112 WeakPolarHBondContact OE1-CE 3.23Å; E103-K112 IonicContact OE1-NZ 3.58Å; N107-K112 HydrophobicContact CB-CG 3.99Å; F108-K112 WeakPolarHBondContact O-CG 3.28Å; F108-K112 PolarHBondContact O-N 3.04Å; S109-K112 WeakPolarHBondContact O-CB 3.3Å; S109-K112 PolarHBondContact O-N 3.23Å; K112-M115 WeakPolarHBondContact O-CB 3.43Å; K112-M115 PolarHBondContact O-N 3.12Å; K112-N116 PolarHBondContact O-N 3.29Å; K112-N116 VanDerWaalsContact O-N 3.1Å; K112-N116 PolarHBondContact O-ND2 2.99Å; K112-R130 VanDerWaalsContact CB-NH1 3.29Å; K112-R130 VanDerWaalsContact CG-NH1 3.34Å; K112-E412 WeakPolarHBondContact CD-OE1 3.5Å; K112-E412 WeakPolarHBondContact CD-OE2 3.18Å; K112-E412 IonicContact NZ-OE2 2.82Å; K112-E412 PolarHBondContact NZ-OE2 2.54Å
113E95.1Very high93.7Very high101 Ų10145.6 Ų45.647%0.47224%0.236SC..Hα-helixtrans-63.1-47.1175.2-74.2167.1-174.300110.9S109 M115 N116 E117S109-E113 WeakPolarHBondContact O-CB 3.15Å; S109-E113 VanDerWaalsContact O-CG 3.32Å; S109-E113 WeakPolarHBondContact O-CG 3.3Å; S109-E113 PolarHBondContact O-N 3.42Å; E113-M115 VanDerWaalsContact C-N 3.29Å; E113-M115 PolarHBondContact O-N 3.21Å; E113-N116 WeakPolarHBondContact O-CB 3.35Å; E113-N116 PolarHBondContact O-N 2.84Å; E113-E117 PolarHBondContact O-N 2.85Å
114A95.6Very high93.8Very high19 Ų1950.1 Ų50.116%0.15726%0.257CS..Hα-helixtrans-59.2-38.317500000112.4W71 S110 T111 E117 I118W71-A114 HydrophobicContact CZ2-CB 4.11Å; S110-A114 WeakPolarHBondContact O-CB 3.45Å; S110-A114 PolarHBondContact O-N 2.63Å; T111-A114 PolarHBondContact O-N 2.88Å; A114-E117 PolarHBondContact O-N 2.82Å; A114-I118 WeakPolarHBondContact O-CB 3.43Å; A114-I118 WeakPolarHBondContact O-CD1 3.2Å; A114-I118 WeakPolarHBondContact O-CG1 3.43Å; A114-I118 PolarHBondContact O-N 2.98Å
115M95.8Very high94.1Very high2 Ų249.8 Ų49.81%0.0126%0.255CS..Hα-helixtrans-60.3-45.1172.8-78177.182.600112M10 W71 V101 E103 T111 K112 E113 F119M10-M115 HydrophobicContact CE-CE 4.04Å; W71-M115 HydrophobicContact CH2-CB 4.4Å; W71-M115 HydrophobicContact CH2-CG 3.33Å; W71-M115 HydrophobicContact CH2-SD 4.47Å; W71-M115 HydrophobicContact CZ2-CG 3.68Å; W71-M115 HydrophobicContact CZ3-CG 4.48Å; V101-M115 HydrophobicContact CG1-CE 3.94Å; V101-M115 HydrophobicContact CG2-CE 3.93Å; E103-M115 HydrophobicContact CB-CE 4.16Å; E103-M115 HydrophobicContact CB-SD 4.11Å; T111-M115 WeakPolarHBondContact O-CG 3.42Å; T111-M115 PolarHBondContact O-N 3.07Å; K112-M115 WeakPolarHBondContact O-CB 3.43Å; K112-M115 PolarHBondContact O-N 3.12Å; E113-M115 VanDerWaalsContact C-N 3.29Å; E113-M115 PolarHBondContact O-N 3.21Å; M115-F119 HydrophobicContact CB-CD2 4.46Å; M115-F119 HydrophobicContact CE-CE2 4.23Å; M115-F119 WeakPolarHBondContact O-CB 3.05Å; M115-F119 WeakPolarHBondContact O-CD2 3.26Å; M115-F119 PolarHBondContact O-N 2.82Å
116N96.4Very high94.6Very high0 Ų051 Ų510%027%0.266CS..Hα-helixtrans-62.5-49.8179-61.1-28.7000110.8K112 E113 F119 F120 R130 Y403 S408K112-N116 PolarHBondContact O-N 3.29Å; K112-N116 VanDerWaalsContact O-N 3.1Å; K112-N116 PolarHBondContact O-ND2 2.99Å; E113-N116 WeakPolarHBondContact O-CB 3.35Å; E113-N116 PolarHBondContact O-N 2.84Å; N116-F119 PolarHBondContact O-N 3.1Å; N116-F120 HydrophobicContact CB-CD2 4.23Å; N116-F120 VanDerWaalsContact O-CB 3.31Å; N116-F120 WeakPolarHBondContact O-CB 3.33Å; N116-F120 WeakPolarHBondContact O-CD2 3.45Å; N116-F120 PolarHBondContact O-N 2.95Å; N116-R130 PolarHBondContact ND2-NH2 3.19Å; N116-R130 VanDerWaalsContact OD1-CZ 3.24Å; N116-R130 PolarHBondContact OD1-NE 3.02Å; N116-R130 PolarHBondContact OD1-NH2 2.99Å; N116-Y403 HydrophobicContact CB-CE2 3.81Å; N116-S408 PolarHBondContact ND2-OG 3.4Å
117E96.4Very high95Very high102 Ų10245.5 Ų45.548%0.47724%0.242SC..Hα-helixtrans-56.6-52.4179.8-175.2179.9161.300110.7E113 A114 F119 F120 E121E113-E117 PolarHBondContact O-N 2.85Å; A114-E117 PolarHBondContact O-N 2.82Å; E117-F119 PolarHBondContact O-N 2.72Å; E117-F120 PolarHBondContact O-N 2.87Å; E117-E121 HydrophobicContact CG-CG 4.42Å; E117-E121 WeakPolarHBondContact O-CA 3.29Å; E117-E121 WeakPolarHBondContact O-CB 3.27Å; E117-E121 PolarHBondContact O-N 2.88Å
118I96.2Very high95.4Very high14 Ų1445 Ų457%0.07224%0.239CC..Iπ-helixtrans-60.3-45.1-179.8-70.2166.3000111.7W71 A114 D122 Y123W71-I118 HydrophobicContact CB-CD1 4.45Å; W71-I118 HydrophobicContact CD2-CD1 3.56Å; W71-I118 HydrophobicContact CE3-CD1 3.22Å; W71-I118 HydrophobicContact CG-CD1 4.12Å; W71-I118 HydrophobicContact CH2-CD1 4.34Å; W71-I118 HydrophobicContact CZ3-CD1 3.66Å; A114-I118 WeakPolarHBondContact O-CB 3.43Å; A114-I118 WeakPolarHBondContact O-CD1 3.2Å; A114-I118 WeakPolarHBondContact O-CG1 3.43Å; A114-I118 PolarHBondContact O-N 2.98Å; I118-D122 WeakPolarHBondContact O-CB 3.02Å; I118-D122 PolarHBondContact O-N 3Å; I118-Y123 HydrophobicContact CG2-CD2 3.67Å; I118-Y123 HydrophobicContact CG2-CE2 3.49Å; I118-Y123 VanDerWaalsContact CG2-CE2 3.49Å; I118-Y123 WeakPolarHBondContact O-CD2 3.35Å; I118-Y123 PolarHBondContact O-N 2.83Å
119F96.8Very high95.6Very high2 Ų239.7 Ų39.71%0.00922%0.216CC..Iπ-helixtrans-76.3-38.2-176.9-71.5-57000113.5L8 M10 L78 L99 V101 M115 N116 E117 Y123 Q124 V125 L128L8-F119 HydrophobicContact CD2-CE1 4.44Å; L8-F119 HydrophobicContact CD2-CZ 4.14Å; M10-F119 HydrophobicContact CE-CE2 3.96Å; M10-F119 HydrophobicContact CE-CZ 3.67Å; L78-F119 HydrophobicContact CD1-CE1 4.32Å; L78-F119 HydrophobicContact CD1-CZ 4.21Å; L99-F119 HydrophobicContact CD2-CB 4.3Å; L99-F119 HydrophobicContact CD2-CD1 3.31Å; L99-F119 HydrophobicContact CD2-CD2 4.16Å; L99-F119 HydrophobicContact CD2-CE1 3.55Å; L99-F119 HydrophobicContact CD2-CE2 4.37Å; L99-F119 HydrophobicContact CD2-CG 3.67Å; L99-F119 HydrophobicContact CD2-CZ 4.09Å; V101-F119 HydrophobicContact CB-CE2 4.38Å; V101-F119 HydrophobicContact CG1-CD2 4.31Å; V101-F119 HydrophobicContact CG1-CE2 4.04Å; V101-F119 HydrophobicContact CG2-CE2 4Å; V101-F119 HydrophobicContact CG2-CZ 4.12Å; M115-F119 HydrophobicContact CB-CD2 4.46Å; M115-F119 HydrophobicContact CE-CE2 4.23Å; M115-F119 WeakPolarHBondContact O-CB 3.05Å; M115-F119 WeakPolarHBondContact O-CD2 3.26Å; M115-F119 PolarHBondContact O-N 2.82Å; N116-F119 PolarHBondContact O-N 3.1Å; E117-F119 PolarHBondContact O-N 2.72Å; F119-Y123 AromaticContact CD1-CD2 3.71Å; F119-Y123 HydrophobicContact CD1-CD2 3.71Å; F119-Y123 HydrophobicContact CD1-CE2 4.42Å; F119-Y123 HydrophobicContact CD1-CG 4.47Å; F119-Y123 HydrophobicContact CE1-CD2 4.03Å; F119-Y123 HydrophobicContact CE1-CE2 4.31Å; F119-Y123 CarbonylContact O-C 3.4Å; F119-Q124 PolarHBondContact O-N 3.33Å; F119-V125 HydrophobicContact CB-CG2 4.3Å; F119-V125 WeakPolarHBondContact O-CG2 3.24Å; F119-V125 PolarHBondContact O-N 2.91Å; F119-V125 VanDerWaalsContact O-N 3.09Å; F119-L128 HydrophobicContact CB-CD1 4.19Å; F119-L128 HydrophobicContact CB-CD2 4.23Å; F119-L128 HydrophobicContact CD2-CD1 4.27Å; F119-L128 HydrophobicContact CG-CD1 4.36Å
120F97.3Very high95.8Very high3 Ų335.8 Ų35.81%0.01319%0.189CC..Iπ-helixtrans-84.1-36.3-179.1-76.1-59.5000113.8N116 E117 Q124 V125 L128 V398 R400 Y403N116-F120 HydrophobicContact CB-CD2 4.23Å; N116-F120 VanDerWaalsContact O-CB 3.31Å; N116-F120 WeakPolarHBondContact O-CB 3.33Å; N116-F120 WeakPolarHBondContact O-CD2 3.45Å; N116-F120 PolarHBondContact O-N 2.95Å; E117-F120 PolarHBondContact O-N 2.87Å; F120-Q124 VanDerWaalsContact O-CA 3.3Å; F120-Q124 WeakPolarHBondContact O-CA 3.45Å; F120-V125 HydrophobicContact CD1-CG2 4.06Å; F120-V125 HydrophobicContact CE1-CG2 4.29Å; F120-L128 HydrophobicContact CD2-CD2 4.2Å; F120-L128 HydrophobicContact CE1-CB 3.82Å; F120-L128 HydrophobicContact CE2-CB 3.79Å; F120-L128 HydrophobicContact CE2-CD2 3.76Å; F120-L128 HydrophobicContact CE2-CG 4.44Å; F120-L128 HydrophobicContact CZ-CB 3.34Å; F120-L128 HydrophobicContact CZ-CD2 4.22Å; F120-L128 HydrophobicContact CZ-CG 4.42Å; F120-V398 HydrophobicContact CZ-CB 4.35Å; F120-V398 HydrophobicContact CZ-CG1 4.09Å; F120-V398 WeakPolarHBondContact CZ-O 3.2Å; F120-R400 HydrophobicContact CB-CG 4.42Å; F120-R400 HydrophobicContact CD1-CB 3.88Å; F120-R400 HydrophobicContact CD1-CG 3.86Å; F120-R400 HydrophobicContact CE1-CB 4.19Å; F120-R400 WeakPolarHBondContact O-CD 3.33Å; F120-Y403 HydrophobicContact CB-CD1 3.51Å; F120-Y403 HydrophobicContact CB-CE1 3.63Å; F120-Y403 HydrophobicContact CB-CG 4.21Å; F120-Y403 HydrophobicContact CD1-CD1 4.44Å; F120-Y403 HydrophobicContact CD1-CG 4.49Å; F120-Y403 AromaticContact CD2-CD1 3.6Å; F120-Y403 HydrophobicContact CD2-CD1 3.6Å; F120-Y403 AromaticContact CD2-CD2 3.62Å; F120-Y403 HydrophobicContact CD2-CD2 3.62Å; F120-Y403 HydrophobicContact CD2-CE1 4.01Å; F120-Y403 HydrophobicContact CD2-CE2 4.02Å; F120-Y403 AromaticContact CD2-CG 3.37Å; F120-Y403 HydrophobicContact CD2-CG 3.37Å; F120-Y403 HydrophobicContact CE2-CD1 4.36Å; F120-Y403 AromaticContact CE2-CD2 3.81Å; F120-Y403 HydrophobicContact CE2-CD2 3.81Å; F120-Y403 AromaticContact CE2-CG 3.69Å; F120-Y403 HydrophobicContact CE2-CG 3.69Å; F120-Y403 AromaticContact CG-CD1 3.63Å; F120-Y403 HydrophobicContact CG-CD1 3.63Å; F120-Y403 HydrophobicContact CG-CD2 4.47Å; F120-Y403 HydrophobicContact CG-CE1 4.13Å; F120-Y403 AromaticContact CG-CG 3.81Å; F120-Y403 HydrophobicContact CG-CG 3.81Å; F120-Y403 HydrophobicContact CZ-CG 4.36Å
121E96.2Very high95.9Very high103 Ų10331.9 Ų31.948%0.48116%0.162SC..Iπ-helixtrans-95.6-49.5-174-54.6-171.8-162.100111.8E117 Q124 Y403E117-E121 HydrophobicContact CG-CG 4.42Å; E117-E121 WeakPolarHBondContact O-CA 3.29Å; E117-E121 WeakPolarHBondContact O-CB 3.27Å; E117-E121 PolarHBondContact O-N 2.88Å; E121-Q124 WeakPolarHBondContact O-CG 3.38Å; E121-Y403 HydrophobicContact CG-CE1 4.17Å; E121-Y403 PolarHBondContact OE1-OH 3.46Å
122D94.4Very high96Very high113 Ų11331.6 Ų31.660%0.60416%0.159SC*.Iπ-helixtrans-80-54.2-178.3-62-33.9000111.8I118I118-D122 WeakPolarHBondContact O-CB 3.02Å; I118-D122 PolarHBondContact O-N 3Å
123Y94.6Very high96Very high32 Ų3230.9 Ų30.913%0.12516%0.158CC..SBendtrans-83.6-14.1-180-67.7-62.6000113.8C75 L78 D79 L82 I118 F119 V125C75-Y123 PolarHBondContact O-OH 3.41Å; L78-Y123 HydrophobicContact CB-CE2 4.47Å; L78-Y123 VanDerWaalsContact CB-OH 3.31Å; L78-Y123 WeakPolarHBondContact CB-OH 3.33Å; L78-Y123 HydrophobicContact CD1-CE2 4.25Å; D79-Y123 VanDerWaalsContact OD1-CE1 3.28Å; D79-Y123 WeakPolarHBondContact OD1-CE1 3.4Å; D79-Y123 PolarHBondContact OD1-OH 3.09Å; L82-Y123 HydrophobicContact CD1-CD1 3.77Å; L82-Y123 HydrophobicContact CD1-CE1 3.53Å; L82-Y123 HydrophobicContact CD1-CE2 4.37Å; L82-Y123 HydrophobicContact CD1-CG 4.32Å; I118-Y123 HydrophobicContact CG2-CD2 3.67Å; I118-Y123 HydrophobicContact CG2-CE2 3.49Å; I118-Y123 VanDerWaalsContact CG2-CE2 3.49Å; I118-Y123 WeakPolarHBondContact O-CD2 3.35Å; I118-Y123 PolarHBondContact O-N 2.83Å; F119-Y123 AromaticContact CD1-CD2 3.71Å; F119-Y123 HydrophobicContact CD1-CD2 3.71Å; F119-Y123 HydrophobicContact CD1-CE2 4.42Å; F119-Y123 HydrophobicContact CD1-CG 4.47Å; F119-Y123 HydrophobicContact CE1-CD2 4.03Å; F119-Y123 HydrophobicContact CE1-CE2 4.31Å; F119-Y123 CarbonylContact O-C 3.4Å; Y123-V125 VanDerWaalsContact C-N 3.26Å; Y123-V125 PolarHBondContact O-N 2.9Å
124Q95.2Very high96Very high101 Ų10126.1 Ų26.147%0.47214%0.135SC..  trans56.332.9172.6-59.9-173.3-12.200115.2S95 F119 F120 E121 R400S95-Q124 VanDerWaalsContact CA-O 3.24Å; S95-Q124 WeakPolarHBondContact CA-O 3.32Å; F119-Q124 PolarHBondContact O-N 3.33Å; F120-Q124 VanDerWaalsContact O-CA 3.3Å; F120-Q124 WeakPolarHBondContact O-CA 3.45Å; E121-Q124 WeakPolarHBondContact O-CG 3.38Å; Q124-R400 PolarHBondContact O-NH1 3.07Å
125V96.2Very high95.9Very high8 Ų825.8 Ų25.85%0.04813%0.13CC..  trans-56146.8-179.6-57.10000111.5L99 F119 F120 Y123 G127 L128L99-V125 HydrophobicContact CB-CB 4.35Å; L99-V125 HydrophobicContact CB-CG1 4.08Å; L99-V125 HydrophobicContact CB-CG2 4.45Å; L99-V125 HydrophobicContact CD2-CG1 4.18Å; F119-V125 HydrophobicContact CB-CG2 4.3Å; F119-V125 WeakPolarHBondContact O-CG2 3.24Å; F119-V125 PolarHBondContact O-N 2.91Å; F119-V125 VanDerWaalsContact O-N 3.09Å; F120-V125 HydrophobicContact CD1-CG2 4.06Å; F120-V125 HydrophobicContact CE1-CG2 4.29Å; Y123-V125 VanDerWaalsContact C-N 3.26Å; Y123-V125 PolarHBondContact O-N 2.9Å; V125-G127 VanDerWaalsContact C-N 3.27Å; V125-G127 PolarHBondContact O-N 3.35Å; V125-L128 HydrophobicContact CG2-CB 4.39Å
126A96Very high95.9Very high33 Ų3325.7 Ų25.727%0.27313%0.13SC..SBendtrans-64.9-34.9-17800000112.2S95 H97 R400S95-A126 PolarHBondContact O-N 2.77Å; H97-A126 PolarHBondContact O-N 3.49Å; A126-R400 PolarHBondContact O-N 2.96Å
127G96.8Very high95.8Very high0 Ų025.7 Ų25.70%013%0.13CC..EExtended strand (participates in β ladder)trans-161.9156.5176.600000111.1N98 L99 V125 V398N98-G127 CarbonylContact C-O 3.49Å; N98-G127 VanDerWaalsContact CA-O 3.3Å; N98-G127 WeakPolarHBondContact CA-O 3.44Å; N98-G127 WeakPolarHBondContact OD1-CA 3.48Å; N98-G127 PolarHBondContact OD1-N 3.13Å; N98-G127 VanDerWaalsContact OD1-N 3.14Å; L99-G127 PolarHBondContact N-O 3.09Å; V125-G127 VanDerWaalsContact C-N 3.27Å; V125-G127 PolarHBondContact O-N 3.35Å; G127-V398 CarbonylContact C-O 3.54Å; G127-V398 WeakPolarHBondContact CA-O 3.36Å
128L97.6Very high95.7Very high0 Ų021 Ų210%011%0.109CC..EExtended strand (participates in β ladder)trans-126.7145-175.6-173.563.8000110.2L99 V101 F119 F120 V125 R130 V398 F415L99-L128 HydrophobicContact CB-CD1 4.01Å; L99-L128 HydrophobicContact CD2-CD1 3.82Å; L99-L128 HydrophobicContact CG-CD1 3.91Å; L99-L128 CarbonylContact O-C 3.5Å; L99-L128 WeakPolarHBondContact O-CA 3.5Å; V101-L128 HydrophobicContact CG1-CD1 3.77Å; F119-L128 HydrophobicContact CB-CD1 4.19Å; F119-L128 HydrophobicContact CB-CD2 4.23Å; F119-L128 HydrophobicContact CD2-CD1 4.27Å; F119-L128 HydrophobicContact CG-CD1 4.36Å; F120-L128 HydrophobicContact CD2-CD2 4.2Å; F120-L128 HydrophobicContact CE1-CB 3.82Å; F120-L128 HydrophobicContact CE2-CB 3.79Å; F120-L128 HydrophobicContact CE2-CD2 3.76Å; F120-L128 HydrophobicContact CE2-CG 4.44Å; F120-L128 HydrophobicContact CZ-CB 3.34Å; F120-L128 HydrophobicContact CZ-CD2 4.22Å; F120-L128 HydrophobicContact CZ-CG 4.42Å; V125-L128 HydrophobicContact CG2-CB 4.39Å; L128-R130 HydrophobicContact CD2-CG 4.04Å; L128-R130 HydrophobicContact CG-CG 4.18Å; L128-V398 PolarHBondContact N-O 2.97Å; L128-V398 PolarHBondContact O-N 2.97Å; L128-V398 VanDerWaalsContact O-N 3.09Å; L128-F415 HydrophobicContact CB-CZ 4.11Å; L128-F415 HydrophobicContact CD2-CE2 4.28Å; L128-F415 HydrophobicContact CD2-CZ 4.08Å; L128-F415 HydrophobicContact CG-CZ 3.99Å; L128-F415 WeakPolarHBondContact O-CE1 3.49Å
129I97.5Very high95.5Very high1 Ų122.7 Ų22.71%0.00512%0.115CC..EExtended strand (participates in β ladder)trans-130.4116.2161.2-60.8178.9000106.8L99 I100 V101 F386 F393 F396 L397 P416L99-I129 PolarHBondContact O-N 3.41Å; I100-I129 WeakPolarHBondContact CA-O 3.48Å; I100-I129 HydrophobicContact CG1-CB 4.27Å; I100-I129 HydrophobicContact CG1-CD1 4.45Å; V101-I129 PolarHBondContact N-O 3.43Å; I129-F386 HydrophobicContact CD1-CE1 3.87Å; I129-F393 HydrophobicContact CD1-CD2 3.63Å; I129-F393 HydrophobicContact CD1-CE2 3.53Å; I129-F393 HydrophobicContact CD1-CG 4.29Å; I129-F393 HydrophobicContact CD1-CZ 4.15Å; I129-F396 HydrophobicContact CD1-CB 4.27Å; I129-F396 HydrophobicContact CG2-CB 4.4Å; I129-L397 HydrophobicContact CD1-CB 4.24Å; I129-L397 HydrophobicContact CD1-CD1 4.31Å; I129-L397 HydrophobicContact CG1-CB 4.31Å; I129-L397 HydrophobicContact CG1-CD1 3.99Å; I129-P416 HydrophobicContact CG2-CG 4.29Å
130R96.6Very high95.3Very high0 Ų023.7 Ų23.70%012%0.119CC..EExtended strand (participates in β ladder)trans-90.8141.8164.6-62.4-161.8-83.5103.812.5109.8V101 E103 K112 N116 L128 E412 F415 P416 T417V101-R130 HydrophobicContact CG1-CB 4.46Å; V101-R130 HydrophobicContact CG1-CG 3.64Å; V101-R130 WeakPolarHBondContact O-CA 3.47Å; E103-R130 IonicContact OE1-NH1 3.43Å; E103-R130 IonicContact OE2-CZ 3.89Å; E103-R130 IonicContact OE2-NH1 3.96Å; E103-R130 PolarHBondContact OE2-NH1 3.12Å; K112-R130 VanDerWaalsContact CB-NH1 3.29Å; K112-R130 VanDerWaalsContact CG-NH1 3.34Å; N116-R130 PolarHBondContact ND2-NH2 3.19Å; N116-R130 VanDerWaalsContact OD1-CZ 3.24Å; N116-R130 PolarHBondContact OD1-NE 3.02Å; N116-R130 PolarHBondContact OD1-NH2 2.99Å; L128-R130 HydrophobicContact CD2-CG 4.04Å; L128-R130 HydrophobicContact CG-CG 4.18Å; R130-E412 IonicContact CZ-OE1 3.39Å; R130-E412 IonicContact NH1-OE1 2.87Å; R130-E412 PolarHBondContact NH1-OE1 3.11Å; R130-E412 IonicContact NH2-OE1 3.46Å; R130-E412 PolarHBondContact NH2-OE1 3.46Å; R130-F415 HydrophobicContact CB-CD2 3.58Å; R130-F415 HydrophobicContact CB-CE2 3.89Å; R130-F415 HydrophobicContact CB-CG 4.13Å; R130-F415 HydrophobicContact CG-CD2 3.96Å; R130-F415 HydrophobicContact CG-CE2 3.73Å; R130-F415 HydrophobicContact CG-CZ 4.48Å; R130-F415 WeakPolarHBondContact O-CB 3.25Å; R130-P416 WeakPolarHBondContact O-CD 3.21Å; R130-T417 VanDerWaalsContact C-CG2 3.48Å; R130-T417 HydrophobicContact CB-CG2 4.02Å; R130-T417 VanDerWaalsContact O-CG2 3.31Å; R130-T417 WeakPolarHBondContact O-CG2 3.37Å
131T95.9Very high95Very high0 Ų023.6 Ų23.60%012%0.119CC..EExtended strand (participates in β ladder)trans-158.5-179.7178.4-168.50000111.4I100 V101 T102 E103 F135 L136 P416I100-T131 HydrophobicContact CG2-CG2 4.17Å; V101-T131 PolarHBondContact O-N 2.98Å; T102-T131 CarbonylContact C-O 3.28Å; T102-T131 VanDerWaalsContact CA-O 3.23Å; T102-T131 WeakPolarHBondContact CA-O 3.42Å; E103-T131 PolarHBondContact N-O 3.32Å; T131-F135 HydrophobicContact CG2-CD1 4.31Å; T131-F135 VanDerWaalsContact OG1-CB 3.3Å; T131-F135 WeakPolarHBondContact OG1-CB 3.47Å; T131-F135 WeakPolarHBondContact OG1-CD1 3.36Å; T131-F135 WeakPolarHBondContact OG1-CG 2.9Å; T131-L136 HydrophobicContact CG2-CD1 3.82Å; T131-L136 HydrophobicContact CG2-CD2 3.88Å; T131-L136 HydrophobicContact CG2-CG 3.69Å; T131-P416 PolarHBondContact OG1-O 3.16Å
132N94.7Very high94.6Very high4 Ų425.3 Ų25.32%0.02112%0.12CC..  trans-101151.3174.4-56.9111.5000111.1E103 Y105 A134 F135 T417E103-N132 PolarHBondContact O-ND2 3.26Å; Y105-N132 HydrophobicContact CD1-CB 4.04Å; Y105-N132 HydrophobicContact CE1-CB 3.59Å; N132-A134 PolarHBondContact O-N 3.25Å; N132-F135 WeakPolarHBondContact O-CB 3.28Å; N132-F135 PolarHBondContact O-N 3.18Å; N132-T417 PolarHBondContact OD1-O 3.14Å
133P95.2Very high94.2Very high11 Ų1123.1 Ų23.17%0.07111%0.114CC..Hα-helixtrans-58.8-31.9178.122-31.7000112.9Y105 F135 S137 D157 M340 A379Y105-P133 HydrophobicContact CE2-CG 4.34Å; P133-F135 PolarHBondContact O-N 3.12Å; P133-S137 VanDerWaalsContact O-CB 3.28Å; P133-S137 WeakPolarHBondContact O-CB 3.25Å; P133-S137 PolarHBondContact O-N 3.44Å; P133-S137 PolarHBondContact O-OG 3.39Å; P133-D157 WeakPolarHBondContact CG-OD2 3.25Å; P133-M340 HydrophobicContact CB-CE 3.8Å; P133-A379 HydrophobicContact CB-CB 3.88Å
134A94.3Very high93.6Very high0 Ų026.8 Ų26.80%013%0.132CC..Hα-helixtrans-65.4-34.4174.400000113.7Y105 N132 A138 V155 V166Y105-A134 HydrophobicContact CE1-CB 4.04Å; Y105-A134 WeakPolarHBondContact OH-CB 3.47Å; Y105-A134 PolarHBondContact OH-N 3.49Å; N132-A134 PolarHBondContact O-N 3.25Å; A134-A138 WeakPolarHBondContact O-CB 3.48Å; A134-A138 PolarHBondContact O-N 2.98Å; A134-V155 HydrophobicContact CB-CB 4Å; A134-V155 HydrophobicContact CB-CG1 3.88Å; A134-V155 HydrophobicContact CB-CG2 4.33Å; A134-V166 HydrophobicContact CB-CB 4.14Å; A134-V166 HydrophobicContact CB-CG1 3.96Å; A134-V166 HydrophobicContact CB-CG2 4.2Å
135F94.8Very high92.3Very high12 Ų1223.2 Ų23.25%0.05312%0.118CC..Hα-helixtrans-63.1-50.6178.2173.3-95.6000110.5T131 N132 P133 S137 A138 Y139 L172 F386 F396 P416T131-F135 HydrophobicContact CG2-CD1 4.31Å; T131-F135 VanDerWaalsContact OG1-CB 3.3Å; T131-F135 WeakPolarHBondContact OG1-CB 3.47Å; T131-F135 WeakPolarHBondContact OG1-CD1 3.36Å; T131-F135 WeakPolarHBondContact OG1-CG 2.9Å; N132-F135 WeakPolarHBondContact O-CB 3.28Å; N132-F135 PolarHBondContact O-N 3.18Å; P133-F135 PolarHBondContact O-N 3.12Å; F135-S137 PolarHBondContact O-N 3.46Å; F135-A138 PolarHBondContact O-N 2.87Å; F135-Y139 WeakPolarHBondContact O-CB 3.45Å; F135-Y139 PolarHBondContact O-N 2.97Å; F135-L172 HydrophobicContact CE2-CD2 4.25Å; F135-F386 HydrophobicContact CE1-CD2 4.18Å; F135-F386 AromaticContact CE1-CE2 3.84Å; F135-F386 HydrophobicContact CE1-CE2 3.84Å; F135-F386 HydrophobicContact CE1-CZ 4.14Å; F135-F386 AromaticContact CZ-CE2 3.93Å; F135-F386 HydrophobicContact CZ-CE2 3.93Å; F135-F386 HydrophobicContact CZ-CZ 4.38Å; F135-F396 HydrophobicContact CZ-CD2 4.5Å; F135-F396 HydrophobicContact CZ-CE2 4.1Å; F135-F396 HydrophobicContact CZ-CZ 4.47Å; F135-P416 HydrophobicContact CD1-CB 4.36Å; F135-P416 HydrophobicContact CD1-CG 4.14Å; F135-P416 HydrophobicContact CD2-CB 3.98Å; F135-P416 HydrophobicContact CE1-CB 4.12Å; F135-P416 HydrophobicContact CE1-CG 3.79Å; F135-P416 HydrophobicContact CE2-CB 3.69Å; F135-P416 HydrophobicContact CE2-CG 4.28Å; F135-P416 HydrophobicContact CG-CB 4.3Å; F135-P416 HydrophobicContact CZ-CB 3.77Å; F135-P416 HydrophobicContact CZ-CG 3.86Å
136L95.7Very high90.5Very high1 Ų128 Ų281%0.00516%0.158CC..Hα-helixtrans-64.1-42.9178.8-59.5176.8000111.8I100 T102 T131 Y139 K140 A379 G382 F386I100-L136 HydrophobicContact CG2-CD1 4.09Å; I100-L136 HydrophobicContact CG2-CD2 4.31Å; T102-L136 HydrophobicContact CG2-CD1 3.83Å; T131-L136 HydrophobicContact CG2-CD1 3.82Å; T131-L136 HydrophobicContact CG2-CD2 3.88Å; T131-L136 HydrophobicContact CG2-CG 3.69Å; L136-Y139 WeakPolarHBondContact O-CB 3.46Å; L136-Y139 PolarHBondContact O-N 2.96Å; L136-K140 PolarHBondContact O-N 3.2Å; L136-K140 VanDerWaalsContact O-N 3.12Å; L136-A379 VanDerWaalsContact CB-O 3.24Å; L136-A379 WeakPolarHBondContact CB-O 3.49Å; L136-G382 WeakPolarHBondContact O-CA 3.46Å; L136-F386 HydrophobicContact CD2-CB 4.45Å
137S94.4Very high88.8Confident0 Ų032.7 Ų32.70%018%0.175CC..Hα-helixtrans-64.3-43.4178.1-59.80000111.7P133 F135 Y139 K140 Y141 M340 Y378 A379P133-S137 VanDerWaalsContact O-CB 3.28Å; P133-S137 WeakPolarHBondContact O-CB 3.25Å; P133-S137 PolarHBondContact O-N 3.44Å; P133-S137 PolarHBondContact O-OG 3.39Å; F135-S137 PolarHBondContact O-N 3.46Å; S137-Y139 VanDerWaalsContact C-N 3.28Å; S137-Y139 PolarHBondContact O-N 2.83Å; S137-K140 PolarHBondContact O-N 3.19Å; S137-Y141 WeakPolarHBondContact O-CB 3.34Å; S137-Y141 PolarHBondContact O-N 3.28Å; S137-M340 PolarHBondContact OG-SD 3.28Å; S137-Y378 VanDerWaalsContact O-CE1 3.3Å; S137-Y378 WeakPolarHBondContact O-CE1 3.44Å; S137-A379 WeakPolarHBondContact OG-CA 3.16Å
138A92.6Very high87.2Confident4 Ų435.6 Ų35.63%0.03319%0.186CC..Hα-helixtrans-65.3-34.4177.100000111.4A134 F135 Y141 R142 V155 M168A134-A138 WeakPolarHBondContact O-CB 3.48Å; A134-A138 PolarHBondContact O-N 2.98Å; F135-A138 PolarHBondContact O-N 2.87Å; A138-Y141 PolarHBondContact O-N 3.1Å; A138-R142 VanDerWaalsContact O-CB 3.28Å; A138-R142 WeakPolarHBondContact O-CB 3.4Å; A138-R142 PolarHBondContact O-N 2.98Å; A138-V155 HydrophobicContact CB-CG2 4.42Å; A138-M168 HydrophobicContact CB-CE 3.9Å; A138-M168 HydrophobicContact CB-CG 4.42Å
139Y92.8Very high85.9Confident49 Ų4941.2 Ų41.219%0.19222%0.215CC..Hα-helixtrans-60-51.1174-170.1-88.8000111.4F135 L136 S137 R142 S143 L385 F386 N389F135-Y139 WeakPolarHBondContact O-CB 3.45Å; F135-Y139 PolarHBondContact O-N 2.97Å; L136-Y139 WeakPolarHBondContact O-CB 3.46Å; L136-Y139 PolarHBondContact O-N 2.96Å; S137-Y139 VanDerWaalsContact C-N 3.28Å; S137-Y139 PolarHBondContact O-N 2.83Å; Y139-R142 PolarHBondContact O-N 3.35Å; Y139-S143 PolarHBondContact O-N 2.77Å; Y139-S143 PolarHBondContact O-OG 3.43Å; Y139-L385 HydrophobicContact CD1-CB 4.48Å; Y139-L385 HydrophobicContact CD1-CD2 4.3Å; Y139-L385 HydrophobicContact CD1-CG 4.48Å; Y139-L385 HydrophobicContact CE1-CB 4.42Å; Y139-L385 HydrophobicContact CE1-CD2 4.22Å; Y139-L385 HydrophobicContact CE1-CG 4.11Å; Y139-F386 HydrophobicContact CD1-CB 3.98Å; Y139-F386 HydrophobicContact CD1-CD2 4.34Å; Y139-F386 AromaticContact CD2-CD2 3.79Å; Y139-F386 HydrophobicContact CD2-CD2 3.79Å; Y139-F386 HydrophobicContact CD2-CE2 4.48Å; Y139-F386 HydrophobicContact CE1-CB 4.08Å; Y139-F386 HydrophobicContact CE1-CD2 4.33Å; Y139-F386 AromaticContact CE2-CD2 3.76Å; Y139-F386 HydrophobicContact CE2-CD2 3.76Å; Y139-F386 HydrophobicContact CE2-CE2 4.38Å; Y139-F386 HydrophobicContact CG-CB 4.4Å; Y139-F386 HydrophobicContact CG-CD2 4.09Å; Y139-N389 WeakPolarHBondContact OH-CB 3.45Å; Y139-N389 PolarHBondContact OH-ND2 3.35Å
140K93Very high85.2Confident22 Ų2242.5 Ų42.510%0.09623%0.225CC..Hα-helixtrans-62.7-42.5175.4-172.6173166.281.90113L136 S137 R142 S143 E144 Y378 E381 L385L136-K140 PolarHBondContact O-N 3.2Å; L136-K140 VanDerWaalsContact O-N 3.12Å; S137-K140 PolarHBondContact O-N 3.19Å; K140-R142 VanDerWaalsContact C-N 3.26Å; K140-R142 PolarHBondContact O-N 2.91Å; K140-S143 WeakPolarHBondContact CA-OG 3.29Å; K140-S143 PolarHBondContact O-N 3.19Å; K140-S143 PolarHBondContact O-OG 2.84Å; K140-E144 WeakPolarHBondContact CE-OE2 3.12Å; K140-E144 HydrophobicContact CG-CG 4.43Å; K140-E144 IonicContact NZ-OE1 2.64Å; K140-E144 PolarHBondContact NZ-OE1 3.16Å; K140-E144 IonicContact NZ-OE2 3.34Å; K140-E144 PolarHBondContact NZ-OE2 3.27Å; K140-E144 PolarHBondContact O-N 2.81Å; K140-E144 VanDerWaalsContact O-N 3.09Å; K140-Y378 HydrophobicContact CB-CE1 4.24Å; K140-Y378 HydrophobicContact CD-CD2 3.79Å; K140-Y378 HydrophobicContact CD-CE1 4.39Å; K140-Y378 HydrophobicContact CD-CE2 3.4Å; K140-Y378 VanDerWaalsContact CD-CE2 3.4Å; K140-Y378 HydrophobicContact CD-CG 4.46Å; K140-Y378 HydrophobicContact CG-CE2 3.92Å; K140-E381 HydrophobicContact CD-CB 3.72Å; K140-E381 WeakPolarHBondContact CE-OE2 3.2Å; K140-E381 IonicContact NZ-OE2 2.77Å; K140-E381 PolarHBondContact NZ-OE2 2.79Å; K140-L385 HydrophobicContact CG-CD2 4.5Å
141Y91Very high84.8Confident2 Ų248.7 Ų48.71%0.00825%0.248CC..Hα-helixtrans-59.8-40.9177.8-179-114000111.4S137 A138 S145 M338 F370 Y378S137-Y141 WeakPolarHBondContact O-CB 3.34Å; S137-Y141 PolarHBondContact O-N 3.28Å; A138-Y141 PolarHBondContact O-N 3.1Å; Y141-S145 WeakPolarHBondContact CD2-OG 3.18Å; Y141-S145 WeakPolarHBondContact CE2-OG 3.45Å; Y141-S145 WeakPolarHBondContact O-CB 3.35Å; Y141-S145 PolarHBondContact O-N 3.31Å; Y141-S145 PolarHBondContact O-OG 3.49Å; Y141-M338 HydrophobicContact CD2-SD 4.11Å; Y141-M338 HydrophobicContact CG-SD 3.89Å; Y141-F370 AromaticContact CD2-CD1 3.42Å; Y141-F370 HydrophobicContact CD2-CD1 3.42Å; Y141-F370 VanDerWaalsContact CD2-CD1 3.42Å; Y141-F370 AromaticContact CD2-CE1 3.64Å; Y141-F370 HydrophobicContact CD2-CE1 3.64Å; Y141-F370 HydrophobicContact CD2-CG 4.04Å; Y141-F370 HydrophobicContact CD2-CZ 4.42Å; Y141-F370 HydrophobicContact CE2-CB 3.78Å; Y141-F370 AromaticContact CE2-CD1 3.41Å; Y141-F370 HydrophobicContact CE2-CD1 3.41Å; Y141-F370 VanDerWaalsContact CE2-CD1 3.41Å; Y141-F370 HydrophobicContact CE2-CD2 4.21Å; Y141-F370 AromaticContact CE2-CE1 4Å; Y141-F370 HydrophobicContact CE2-CE1 4Å; Y141-F370 AromaticContact CE2-CG 3.53Å; Y141-F370 HydrophobicContact CE2-CG 3.53Å; Y141-Y378 VanDerWaalsContact CA-OH 3.28Å; Y141-Y378 WeakPolarHBondContact CA-OH 3.4Å; Y141-Y378 PolarHBondContact N-OH 2.75Å
142R87.6Confident84.7Confident138 Ų13850 Ų5052%0.52125%0.253SS..Hα-helixtrans-66.8-37.4178.9174.6177.6177.8175.4-2.3113.2A138 Y139 K140 D170A138-R142 VanDerWaalsContact O-CB 3.28Å; A138-R142 WeakPolarHBondContact O-CB 3.4Å; A138-R142 PolarHBondContact O-N 2.98Å; Y139-R142 PolarHBondContact O-N 3.35Å; K140-R142 VanDerWaalsContact C-N 3.26Å; K140-R142 PolarHBondContact O-N 2.91Å; R142-D170 PolarHBondContact NH1-O 3.42Å
143S85.4Confident84.7Confident67 Ų6750.1 Ų50.147%0.46925%0.254SS..Hα-helixtrans-79.1-34-17751.40000113.5Y139 K140 L385Y139-S143 PolarHBondContact O-N 2.77Å; Y139-S143 PolarHBondContact O-OG 3.43Å; K140-S143 WeakPolarHBondContact CA-OG 3.29Å; K140-S143 PolarHBondContact O-N 3.19Å; K140-S143 PolarHBondContact O-OG 2.84Å; S143-L385 VanDerWaalsContact CB-CD2 3.5Å; S143-L385 WeakPolarHBondContact OG-CD2 3.02Å
144E82.3Confident84.7Confident110 Ų11049.6 Ų49.651%0.51425%0.251SS..Hα-helixtrans-94.6-29.1-175-67.4179.317300112.6K140 A146K140-E144 WeakPolarHBondContact CE-OE2 3.12Å; K140-E144 HydrophobicContact CG-CG 4.43Å; K140-E144 IonicContact NZ-OE1 2.64Å; K140-E144 PolarHBondContact NZ-OE1 3.16Å; K140-E144 IonicContact NZ-OE2 3.34Å; K140-E144 PolarHBondContact NZ-OE2 3.27Å; K140-E144 PolarHBondContact O-N 2.81Å; K140-E144 VanDerWaalsContact O-N 3.09Å; E144-A146 PolarHBondContact O-N 2.85Å
145S67.6Low84.8Confident25 Ų2549.6 Ų49.618%0.17525%0.251CS..  trans-85.9102.9-171.5-55.20000112.5Y141 Q147Y141-S145 WeakPolarHBondContact CD2-OG 3.18Å; Y141-S145 WeakPolarHBondContact CE2-OG 3.45Å; Y141-S145 WeakPolarHBondContact O-CB 3.35Å; Y141-S145 PolarHBondContact O-N 3.31Å; Y141-S145 PolarHBondContact O-OG 3.49Å; S145-Q147 PolarHBondContact O-N 2.8Å
146A59.8Low84.9Confident108 Ų10849 Ų4989%0.89325%0.249SC*.THydrogen-bonded Turntrans-62.5-16.1161.700000112.9E144 R148E144-A146 PolarHBondContact O-N 2.85Å; A146-R148 PolarHBondContact O-N 2.99Å
147Q59.2Low85Confident132 Ų13249.5 Ų49.562%0.61725%0.251SS*.THydrogen-bonded Turntrans-87.56.4-173.1-65.7-177.6-11.300114.8S145 L149S145-Q147 PolarHBondContact O-N 2.8Å; Q147-L149 PolarHBondContact O-N 2.91Å
148R64.2Low85.1Confident61 Ų6149.5 Ų49.523%0.2325%0.251CS..  trans-74.7114.5-178.8-174.1173.1170-149.9-4.5110.6A146 S150 R151A146-R148 PolarHBondContact O-N 2.99Å; R148-S150 VanDerWaalsContact C-N 3.34Å; R148-S150 WeakPolarHBondContact CD-O 3.43Å; R148-S150 WeakPolarHBondContact CG-O 3.43Å; R148-S150 PolarHBondContact NE-O 3.26Å; R148-R151 PolarHBondContact NH2-O 2.74Å
149L69.2Low85.2Confident118 Ų11849.9 Ų49.962%0.61826%0.255SS*.  trans-82.7-13178.4-65.1173.6000113Q147 A335 N336 P366Q147-L149 PolarHBondContact O-N 2.91Å; L149-A335 HydrophobicContact CB-CB 4.02Å; L149-A335 HydrophobicContact CD1-CB 4.07Å; L149-N336 PolarHBondContact N-OD1 2.82Å; L149-P366 HydrophobicContact CD1-CB 3.9Å; L149-P366 HydrophobicContact CD1-CG 3.67Å
150S82.4Confident85.3Confident29 Ų2950.3 Ų50.320%0.20326%0.257CS..SBendtrans-158.9138.6-175.7-170.80000113R148 Y152 G332 N336R148-S150 VanDerWaalsContact C-N 3.34Å; R148-S150 WeakPolarHBondContact CD-O 3.43Å; R148-S150 WeakPolarHBondContact CG-O 3.43Å; R148-S150 PolarHBondContact NE-O 3.26Å; S150-Y152 PolarHBondContact O-N 2.8Å; S150-Y152 PolarHBondContact OG-N 2.97Å; S150-G332 VanDerWaalsContact OG-CA 3.29Å; S150-G332 WeakPolarHBondContact OG-CA 3.42Å; S150-N336 PolarHBondContact N-ND2 3.23Å; S150-N336 PolarHBondContact O-ND2 2.7Å
151R89.9Confident85.3Confident129 Ų12950.1 Ų50.149%0.48726%0.258SS..SBend41.7-72.5107.7156.6-145.3163.2126.1-7.2120.4R148 D170R148-R151 PolarHBondContact NH2-O 2.74Å; R151-D170 VanDerWaalsContact CB-OD1 3.27Å; R151-D170 WeakPolarHBondContact CB-OD1 3.44Å; R151-D170 WeakPolarHBondContact CD-OD1 3.4Å; R151-D170 VanDerWaalsContact CG-OD1 3.29Å; R151-D170 WeakPolarHBondContact CG-OD1 3.24Å; R151-D170 IonicContact CZ-OD2 3.18Å; R151-D170 IonicContact NE-OD2 3.55Å; R151-D170 IonicContact NH1-OD2 3.48Å; R151-D170 PolarHBondContact NH1-OD2 2.82Å; R151-D170 PolarHBondContact O-N 2.92Å; R151-D170 VanDerWaalsContact O-N 3.1Å
152Y93.4Very high85.4Confident27 Ų2751.1 Ų51.111%0.10626%0.262CS..EExtended strand (participates in β ladder)trans-117.7148.3-168.2-49.6-76.6000110.1S150 M168 A169 V329 G332 N336S150-Y152 PolarHBondContact O-N 2.8Å; S150-Y152 PolarHBondContact OG-N 2.97Å; Y152-M168 VanDerWaalsContact CA-O 3.25Å; Y152-M168 WeakPolarHBondContact CA-O 3.26Å; Y152-A169 HydrophobicContact CD1-CB 3.64Å; Y152-A169 HydrophobicContact CE1-CB 3.73Å; Y152-V329 HydrophobicContact CD1-CB 4.48Å; Y152-V329 HydrophobicContact CD1-CG1 3.75Å; Y152-V329 HydrophobicContact CD1-CG2 4.28Å; Y152-V329 HydrophobicContact CD2-CG1 4.21Å; Y152-V329 HydrophobicContact CE1-CB 4.48Å; Y152-V329 HydrophobicContact CE1-CG1 4.2Å; Y152-V329 HydrophobicContact CE1-CG2 3.86Å; Y152-V329 HydrophobicContact CE2-CG2 4.39Å; Y152-V329 HydrophobicContact CG-CB 4.5Å; Y152-V329 HydrophobicContact CG-CG1 3.74Å; Y152-G332 VanDerWaalsContact O-O 3.05Å; Y152-N336 PolarHBondContact O-ND2 3.09Å; Y152-N336 VanDerWaalsContact O-ND2 3.08Å
153C93.5Very high85.8Confident8 Ų844.6 Ų44.65%0.05424%0.238CC..EExtended strand (participates in β ladder)trans-146.8160.4169.363.70000110.4M168 N336C153-M168 PolarHBondContact N-O 3.31Å; C153-M168 VanDerWaalsContact N-O 3.12Å; C153-M168 PolarHBondContact O-N 3.15Å; C153-N336 CarbonylContact C-O 3.54Å; C153-N336 WeakPolarHBondContact CA-O 3.36Å; C153-N336 HydrophobicContact CB-CB 3.67Å; C153-N336 VanDerWaalsContact CB-O 3.27Å; C153-N336 WeakPolarHBondContact CB-O 3.48Å
154I96Very high86.3Confident0 Ų041.4 Ų41.40%022%0.216CC..EExtended strand (participates in β ladder)trans-113.2119.6172.1-66.4174.2000107.9I156 I165 P167 L320 M321 L325 A333 N336 F337 M338I154-I156 HydrophobicContact CG2-CG1 4.23Å; I154-I165 HydrophobicContact CG2-CG2 3.45Å; I154-I165 VanDerWaalsContact CG2-CG2 3.45Å; I154-P167 HydrophobicContact CG1-CB 4.47Å; I154-L320 HydrophobicContact CD1-CD2 3.87Å; I154-L320 HydrophobicContact CG1-CD2 4.5Å; I154-M321 HydrophobicContact CD1-CE 3.71Å; I154-M321 HydrophobicContact CD1-SD 3.81Å; I154-L325 HydrophobicContact CD1-CD1 4.27Å; I154-A333 HydrophobicContact CD1-CB 3.97Å; I154-A333 HydrophobicContact CG1-CB 4.13Å; I154-N336 PolarHBondContact N-O 3.39Å; I154-F337 HydrophobicContact CB-CD1 3.73Å; I154-F337 HydrophobicContact CB-CE1 3.87Å; I154-F337 HydrophobicContact CD1-CD1 4.39Å; I154-F337 HydrophobicContact CD1-CE1 3.64Å; I154-F337 HydrophobicContact CD1-CZ 4.11Å; I154-F337 HydrophobicContact CG1-CE1 4.29Å; I154-F337 HydrophobicContact CG2-CD1 3.94Å; I154-F337 HydrophobicContact CG2-CE1 4.04Å; I154-F337 WeakPolarHBondContact O-CA 3.44Å; I154-M338 PolarHBondContact O-N 3.48Å
155V96Very high87Confident0 Ų036.1 Ų36.10%019%0.191CC..EExtended strand (participates in β ladder)trans-93.5122.8173.8-1740000109.2A134 A138 V166 M168 M338 M340A134-V155 HydrophobicContact CB-CB 4Å; A134-V155 HydrophobicContact CB-CG1 3.88Å; A134-V155 HydrophobicContact CB-CG2 4.33Å; A138-V155 HydrophobicContact CB-CG2 4.42Å; V155-V166 HydrophobicContact CB-CB 4.27Å; V155-V166 PolarHBondContact N-O 2.99Å; V155-V166 PolarHBondContact O-N 3.02Å; V155-M168 HydrophobicContact CG2-CG 3.78Å; V155-M338 CarbonylContact C-O 3.35Å; V155-M338 WeakPolarHBondContact CA-O 3.18Å; V155-M338 HydrophobicContact CB-CE 4.21Å; V155-M338 HydrophobicContact CG1-CE 3.69Å; V155-M338 HydrophobicContact CG2-CE 3.54Å; V155-M340 HydrophobicContact CG1-CG 3.96Å; V155-M340 HydrophobicContact CG1-SD 3.77Å
156I97.5Very high88.4Confident0 Ų035 Ų350%018%0.183CC..EExtended strand (participates in β ladder)trans-104.4105.3175.9-63161.2000107.4I154 T163 H164 L313 I317 F337 M338 V339 M340 L353I154-I156 HydrophobicContact CG2-CG1 4.23Å; I156-T163 HydrophobicContact CG2-CG2 4.12Å; I156-H164 CarbonylContact C-O 3.37Å; I156-H164 VanDerWaalsContact CA-O 3.31Å; I156-H164 WeakPolarHBondContact CA-O 3.4Å; I156-L313 HydrophobicContact CG2-CD1 3.8Å; I156-L313 HydrophobicContact CG2-CD2 4.15Å; I156-I317 HydrophobicContact CD1-CD1 3.55Å; I156-I317 HydrophobicContact CG1-CD1 4.35Å; I156-F337 HydrophobicContact CD1-CD1 3.99Å; I156-M338 PolarHBondContact N-O 3.3Å; I156-V339 HydrophobicContact CD1-CG2 4.5Å; I156-V339 CarbonylContact O-C 3.59Å; I156-V339 WeakPolarHBondContact O-CA 3.35Å; I156-M340 PolarHBondContact O-N 3.5Å; I156-L353 HydrophobicContact CD1-CD1 4.37Å; I156-L353 HydrophobicContact CD1-CD2 3.56Å
157D96.4Very high90.2Very high11 Ų1129.9 Ų29.96%0.05914%0.141CC..EExtended strand (participates in β ladder)trans-101.694.4178.7176.915.7000109.7P133 T163 H164 M340P133-D157 WeakPolarHBondContact CG-OD2 3.25Å; D157-T163 CarbonylContact O-C 3.53Å; D157-T163 VanDerWaalsContact O-CA 3.26Å; D157-T163 WeakPolarHBondContact O-CA 3.24Å; D157-H164 HydrophobicContact CB-CB 4.42Å; D157-H164 PolarHBondContact N-O 3.46Å; D157-H164 PolarHBondContact O-N 3.46Å; D157-M340 HydrophobicContact CB-CE 4.41Å; D157-M340 HydrophobicContact CB-CG 3.91Å; D157-M340 HydrophobicContact CB-SD 4.18Å
158S97Very high91.8Very high0 Ų023.7 Ų23.70%011%0.112CC..EExtended strand (participates in β ladder)trans-98.592.7178.9-164.40000110.6T163 M340 G341 G342 N343S158-T163 PolarHBondContact OG-OG1 2.96Å; S158-M340 PolarHBondContact N-O 3.01Å; S158-G341 CarbonylContact O-C 3.53Å; S158-G341 WeakPolarHBondContact O-CA 3.43Å; S158-G342 PolarHBondContact O-N 3.01Å; S158-N343 PolarHBondContact O-N 3.23Å; S158-N343 PolarHBondContact O-ND2 3.4Å; S158-N343 WeakPolarHBondContact OG-CB 3.37Å; S158-N343 PolarHBondContact OG-ND2 3Å
159G95.1Very high93.1Very high11 Ų1121.8 Ų21.811%0.11311%0.11CC..  trans-105.3-158.3-172.700000114.5F162 G184 G185 N343G159-F162 PolarHBondContact N-O 3.01Å; G159-G184 CarbonylContact O-C 3.44Å; G159-G184 WeakPolarHBondContact O-CA 3.48Å; G159-G185 PolarHBondContact O-N 2.98Å; G159-N343 PolarHBondContact O-ND2 2.94Å
160Y94.5Very high94.1Very high58 Ų5819.5 Ų19.523%0.22710%0.098CC..SBendtrans-71.9-42.5-177.1179.5-103.2000113.4M61 G184 G185 K186M61-Y160 HydrophobicContact SD-CE1 3.99Å; M61-Y160 PolarHBondContact SD-OH 3.5Å; Y160-G184 CarbonylContact O-C 3.57Å; Y160-G184 VanDerWaalsContact O-C 3.28Å; Y160-G185 PolarHBondContact O-N 2.85Å; Y160-K186 HydrophobicContact CD1-CB 4.32Å; Y160-K186 HydrophobicContact CD2-CB 4.35Å; Y160-K186 HydrophobicContact CE1-CB 3.87Å; Y160-K186 HydrophobicContact CE1-CD 3.89Å; Y160-K186 HydrophobicContact CE1-CG 4.22Å; Y160-K186 HydrophobicContact CE2-CB 3.9Å; Y160-K186 HydrophobicContact CE2-CG 4.49Å; Y160-K186 WeakPolarHBondContact O-CB 3.44Å; Y160-K186 PolarHBondContact O-N 2.84Å
161S93.6Very high94.3Very high18 Ų1818.9 Ų18.913%0.12610%0.096CC..SBendtrans-102.8-17.8-172.5-69.60000115.1G66G66-S161 VanDerWaalsContact CA-CB 3.45Å; G66-S161 PolarHBondContact N-OG 2.9Å
162F93.3Very high94.4Very high23 Ų2317.3 Ų17.310%0.10110%0.097CC..  trans-163.4168.6-170.642.1-121.1000110.2P104 G159 H164 R180 L181 V183P104-F162 HydrophobicContact CB-CE1 4.11Å; P104-F162 HydrophobicContact CB-CZ 4.07Å; G159-F162 PolarHBondContact N-O 3.01Å; F162-H164 AromaticContact CD1-CE1 3.57Å; F162-H164 AromaticContact CD2-CE1 3.05Å; F162-H164 WeakPolarHBondContact CD2-CE1 3.06Å; F162-H164 AromaticContact CD2-ND1 2.93Å; F162-H164 WeakPolarHBondContact CD2-ND1 3.44Å; F162-H164 AromaticContact CE1-CE1 3.69Å; F162-H164 AromaticContact CE2-CE1 3.2Å; F162-H164 WeakPolarHBondContact CE2-CE1 3.28Å; F162-H164 AromaticContact CE2-ND1 3.13Å; F162-H164 WeakPolarHBondContact CE2-ND1 3.36Å; F162-H164 AromaticContact CG-CE1 3.24Å; F162-H164 WeakPolarHBondContact CG-CE1 3.39Å; F162-H164 AromaticContact CG-ND1 3.58Å; F162-H164 AromaticContact CZ-CE1 3.51Å; F162-H164 AromaticContact CZ-ND1 3.91Å; F162-R180 HydrophobicContact CB-CG 4.32Å; F162-L181 WeakPolarHBondContact CA-O 3.23Å; F162-L181 VanDerWaalsContact CB-O 3.28Å; F162-L181 WeakPolarHBondContact CB-O 3.31Å; F162-V183 CarbonylContact C-O 3.6Å; F162-V183 VanDerWaalsContact C-O 3.24Å
163T95.9Very high94.4Very high1 Ų117.1 Ų17.11%0.00610%0.098CC..EExtended strand (participates in β ladder)trans-120.5121.8163.2-59.70000108.7I156 D157 S158 L181 V183 L313I156-T163 HydrophobicContact CG2-CG2 4.12Å; D157-T163 CarbonylContact O-C 3.53Å; D157-T163 VanDerWaalsContact O-CA 3.26Å; D157-T163 WeakPolarHBondContact O-CA 3.24Å; S158-T163 PolarHBondContact OG-OG1 2.96Å; T163-L181 PolarHBondContact N-O 2.85Å; T163-L181 PolarHBondContact O-N 2.81Å; T163-V183 PolarHBondContact N-O 3.4Å; T163-V183 VanDerWaalsContact N-O 3.09Å; T163-V183 PolarHBondContact OG1-O 3.45Å; T163-L313 HydrophobicContact CG2-CD1 3.91Å
164H96Very high94.4Very high0 Ų018 Ų180%010%0.102CC..EExtended strand (participates in β ladder)trans-102.9141.6175.9-71.692.7000110.9Y105 I156 D157 F162 V166 I179 R180Y105-H164 HydrophobicContact CD2-CB 3.95Å; Y105-H164 AromaticContact CD2-CD2 3.33Å; Y105-H164 WeakPolarHBondContact CD2-CD2 3.4Å; Y105-H164 AromaticContact CD2-CE1 3.43Å; Y105-H164 VanDerWaalsContact CD2-CE1 3.43Å; Y105-H164 WeakPolarHBondContact CD2-CE1 3.47Å; Y105-H164 AromaticContact CD2-CG 3.27Å; Y105-H164 AromaticContact CD2-ND1 3.33Å; Y105-H164 VanDerWaalsContact CD2-ND1 3.33Å; Y105-H164 WeakPolarHBondContact CD2-ND1 3.34Å; Y105-H164 AromaticContact CD2-NE2 3.45Å; Y105-H164 WeakPolarHBondContact CD2-NE2 3.09Å; Y105-H164 HydrophobicContact CE2-CB 3.72Å; Y105-H164 AromaticContact CE2-CG 3.5Å; Y105-H164 VanDerWaalsContact CE2-CG 3.5Å; Y105-H164 AromaticContact CE2-ND1 3.53Å; Y105-H164 AromaticContact CG-CD2 3.81Å; I156-H164 CarbonylContact C-O 3.37Å; I156-H164 VanDerWaalsContact CA-O 3.31Å; I156-H164 WeakPolarHBondContact CA-O 3.4Å; D157-H164 HydrophobicContact CB-CB 4.42Å; D157-H164 PolarHBondContact N-O 3.46Å; D157-H164 PolarHBondContact O-N 3.46Å; F162-H164 AromaticContact CD1-CE1 3.57Å; F162-H164 AromaticContact CD2-CE1 3.05Å; F162-H164 WeakPolarHBondContact CD2-CE1 3.06Å; F162-H164 AromaticContact CD2-ND1 2.93Å; F162-H164 WeakPolarHBondContact CD2-ND1 3.44Å; F162-H164 AromaticContact CE1-CE1 3.69Å; F162-H164 AromaticContact CE2-CE1 3.2Å; F162-H164 WeakPolarHBondContact CE2-CE1 3.28Å; F162-H164 AromaticContact CE2-ND1 3.13Å; F162-H164 WeakPolarHBondContact CE2-ND1 3.36Å; F162-H164 AromaticContact CG-CE1 3.24Å; F162-H164 WeakPolarHBondContact CG-CE1 3.39Å; F162-H164 AromaticContact CG-ND1 3.58Å; F162-H164 AromaticContact CZ-CE1 3.51Å; F162-H164 AromaticContact CZ-ND1 3.91Å; H164-V166 HydrophobicContact CB-CG2 3.82Å; H164-I179 CarbonylContact C-O 3.52Å; H164-I179 WeakPolarHBondContact CA-O 3.2Å; H164-R180 WeakPolarHBondContact NE2-CD 2.93Å; H164-R180 WeakPolarHBondContact NE2-CG 3.28Å
165I97.5Very high94.1Very high0 Ų023.2 Ų23.20%013%0.125CC..EExtended strand (participates in β ladder)trans-114111.9170.2-54.3163.1000105.8I154 P167 V178 I179 L313 A316 I317 L320I154-I165 HydrophobicContact CG2-CG2 3.45Å; I154-I165 VanDerWaalsContact CG2-CG2 3.45Å; I165-P167 WeakPolarHBondContact O-CD 3.35Å; I165-V178 WeakPolarHBondContact O-CA 3.45Å; I165-I179 HydrophobicContact CB-CB 4.3Å; I165-I179 HydrophobicContact CD1-CB 4.42Å; I165-I179 HydrophobicContact CD1-CG2 4.41Å; I165-I179 PolarHBondContact N-O 3.37Å; I165-I179 PolarHBondContact O-N 3.01Å; I165-L313 HydrophobicContact CD1-CD1 4.04Å; I165-L313 HydrophobicContact CG1-CD1 3.96Å; I165-A316 HydrophobicContact CD1-CB 3.44Å; I165-A316 VanDerWaalsContact CD1-CB 3.44Å; I165-I317 HydrophobicContact CD1-CG1 3.85Å; I165-I317 HydrophobicContact CG1-CG1 4.33Å; I165-I317 HydrophobicContact CG2-CG1 4.22Å; I165-L320 HydrophobicContact CG2-CD2 3.49Å; I165-L320 VanDerWaalsContact CG2-CD2 3.49Å
166V96.4Very high94Very high0 Ų028.3 Ų28.30%015%0.152CC..EExtended strand (participates in β ladder)trans-121.498.7-166.2-1700000109Y105 A134 V155 H164 M168 V173 V178Y105-V166 HydrophobicContact CD1-CG2 4.2Å; Y105-V166 HydrophobicContact CE1-CB 4.42Å; Y105-V166 HydrophobicContact CE1-CG1 3.99Å; Y105-V166 HydrophobicContact CE1-CG2 3.54Å; Y105-V166 HydrophobicContact CE2-CG2 4.3Å; A134-V166 HydrophobicContact CB-CB 4.14Å; A134-V166 HydrophobicContact CB-CG1 3.96Å; A134-V166 HydrophobicContact CB-CG2 4.2Å; V155-V166 HydrophobicContact CB-CB 4.27Å; V155-V166 PolarHBondContact N-O 2.99Å; V155-V166 PolarHBondContact O-N 3.02Å; H164-V166 HydrophobicContact CB-CG2 3.82Å; V166-M168 HydrophobicContact CG1-SD 3.65Å; V166-V173 HydrophobicContact CG1-CB 4.47Å; V166-V173 HydrophobicContact CG1-CG1 3.68Å; V166-V173 HydrophobicContact CG1-CG2 4.18Å; V166-V178 HydrophobicContact CG1-CG2 3.96Å; V166-V178 HydrophobicContact CG2-CG1 4.22Å
167P96.2Very high93.9Very high2 Ų230.4 Ų30.41%0.01316%0.161CC..EExtended strand (participates in β ladder)trans-70.2136.5173.3-15.131.1000109.9I154 I165 M174 F177 L320 L325I154-P167 HydrophobicContact CG1-CB 4.47Å; I165-P167 WeakPolarHBondContact O-CD 3.35Å; P167-M174 HydrophobicContact CB-CB 4.26Å; P167-M174 HydrophobicContact CB-SD 4.09Å; P167-M174 WeakPolarHBondContact O-CB 3.29Å; P167-M174 PolarHBondContact O-N 3.23Å; P167-F177 HydrophobicContact CB-CB 4.44Å; P167-F177 WeakPolarHBondContact CD-O 3.13Å; P167-F177 HydrophobicContact CG-CB 3.8Å; P167-F177 WeakPolarHBondContact CG-O 3.28Å; P167-L320 HydrophobicContact CG-CD1 3.88Å; P167-L320 HydrophobicContact CG-CD2 3.73Å; P167-L320 HydrophobicContact CG-CG 4.34Å; P167-L325 HydrophobicContact CB-CD2 4Å; P167-L325 HydrophobicContact CG-CD2 4.18Å
168M93.4Very high93.9Very high1 Ų130.4 Ų30.41%0.00516%0.161CC..EExtended strand (participates in β ladder)trans-124140.9-177.9-52.5-65.8-69.900110A138 Y152 C153 V155 V166 G171 L172 V173A138-M168 HydrophobicContact CB-CE 3.9Å; A138-M168 HydrophobicContact CB-CG 4.42Å; Y152-M168 VanDerWaalsContact CA-O 3.25Å; Y152-M168 WeakPolarHBondContact CA-O 3.26Å; C153-M168 PolarHBondContact N-O 3.31Å; C153-M168 VanDerWaalsContact N-O 3.12Å; C153-M168 PolarHBondContact O-N 3.15Å; V155-M168 HydrophobicContact CG2-CG 3.78Å; V166-M168 HydrophobicContact CG1-SD 3.65Å; M168-G171 VanDerWaalsContact CE-O 3.26Å; M168-G171 WeakPolarHBondContact CE-O 3.25Å; M168-L172 CarbonylContact C-O 3.56Å; M168-L172 WeakPolarHBondContact CA-O 3.17Å; M168-L172 VanDerWaalsContact CE-C 3.49Å; M168-V173 HydrophobicContact CE-CB 4.42Å; M168-V173 HydrophobicContact CE-CG2 3.68Å; M168-V173 HydrophobicContact SD-CB 4.07Å; M168-V173 HydrophobicContact SD-CG2 3.6Å; M168-V173 VanDerWaalsContact SD-CG2 3.6Å
169A92.7Very high93.8Very high22 Ų2231.4 Ų31.418%0.18217%0.167CC..EExtended strand (participates in β ladder)trans-126.4125.4171.100000109.1Y152 G171 L172 M174Y152-A169 HydrophobicContact CD1-CB 3.64Å; Y152-A169 HydrophobicContact CE1-CB 3.73Å; A169-G171 PolarHBondContact O-N 3.24Å; A169-L172 PolarHBondContact N-O 3.12Å; A169-L172 PolarHBondContact O-N 3.32Å; A169-M174 HydrophobicContact CB-CG 3.89Å; A169-M174 HydrophobicContact CB-SD 3.92Å
170D89.4Confident93.8Very high69 Ų6934.2 Ų34.237%0.36917%0.174SC..THydrogen-bonded Turntrans55.623.5177.7-64.2-48.9000114.6R142 R151R142-D170 PolarHBondContact NH1-O 3.42Å; R151-D170 VanDerWaalsContact CB-OD1 3.27Å; R151-D170 WeakPolarHBondContact CB-OD1 3.44Å; R151-D170 WeakPolarHBondContact CD-OD1 3.4Å; R151-D170 VanDerWaalsContact CG-OD1 3.29Å; R151-D170 WeakPolarHBondContact CG-OD1 3.24Å; R151-D170 IonicContact CZ-OD2 3.18Å; R151-D170 IonicContact NE-OD2 3.55Å; R151-D170 IonicContact NH1-OD2 3.48Å; R151-D170 PolarHBondContact NH1-OD2 2.82Å; R151-D170 PolarHBondContact O-N 2.92Å; R151-D170 VanDerWaalsContact O-N 3.1Å
171G87.7Confident93.8Very high16 Ų1632 Ų3217%0.16517%0.166CC..THydrogen-bonded Turntrans90.4-3.3-177.500000114.7M168 A169M168-G171 VanDerWaalsContact CE-O 3.26Å; M168-G171 WeakPolarHBondContact CE-O 3.25Å; A169-G171 PolarHBondContact O-N 3.24Å
172L90.6Very high93.8Very high96 Ų9633.2 Ų33.250%0.50317%0.172SC..EExtended strand (participates in β ladder)trans-99.9148.7176.6-61.8174000111.2F135 M168 A169F135-L172 HydrophobicContact CE2-CD2 4.25Å; M168-L172 CarbonylContact C-O 3.56Å; M168-L172 WeakPolarHBondContact CA-O 3.17Å; M168-L172 VanDerWaalsContact CE-C 3.49Å; A169-L172 PolarHBondContact N-O 3.12Å; A169-L172 PolarHBondContact O-N 3.32Å
173V92.9Very high93.8Very high23 Ų2332.3 Ų32.314%0.13917%0.169CC..EExtended strand (participates in β ladder)trans-72.5131.3178.6-179.90000109.9V166 M168 K175 V178V166-V173 HydrophobicContact CG1-CB 4.47Å; V166-V173 HydrophobicContact CG1-CG1 3.68Å; V166-V173 HydrophobicContact CG1-CG2 4.18Å; M168-V173 HydrophobicContact CE-CB 4.42Å; M168-V173 HydrophobicContact CE-CG2 3.68Å; M168-V173 HydrophobicContact SD-CB 4.07Å; M168-V173 HydrophobicContact SD-CG2 3.6Å; M168-V173 VanDerWaalsContact SD-CG2 3.6Å; V173-K175 PolarHBondContact O-N 3.26Å; V173-V178 HydrophobicContact CG1-CG2 3.63Å
174M94Very high93.8Very high27 Ų2732.3 Ų32.313%0.13317%0.169CC..  trans-87.878.6170.5-55.1176.856.800109.5P167 A169 D176 F177 L325 V329P167-M174 HydrophobicContact CB-CB 4.26Å; P167-M174 HydrophobicContact CB-SD 4.09Å; P167-M174 WeakPolarHBondContact O-CB 3.29Å; P167-M174 PolarHBondContact O-N 3.23Å; A169-M174 HydrophobicContact CB-CG 3.89Å; A169-M174 HydrophobicContact CB-SD 3.92Å; M174-D176 VanDerWaalsContact C-N 3.29Å; M174-D176 PolarHBondContact O-N 2.76Å; M174-D176 VanDerWaalsContact O-N 3.1Å; M174-F177 HydrophobicContact CB-CD2 3.72Å; M174-F177 HydrophobicContact CB-CE2 4.42Å; M174-F177 HydrophobicContact CE-CD2 3.66Å; M174-F177 HydrophobicContact CE-CE2 3.65Å; M174-F177 HydrophobicContact CE-CG 4.4Å; M174-F177 HydrophobicContact CE-CZ 4.43Å; M174-F177 PolarHBondContact O-N 3.29Å; M174-L325 HydrophobicContact CE-CD2 4.01Å; M174-V329 HydrophobicContact CE-CG1 4.35Å; M174-V329 HydrophobicContact CE-CG2 4.25Å; M174-V329 HydrophobicContact SD-CG1 4.19Å
175K90.8Very high93.8Very high109 Ų10932.3 Ų32.347%0.47417%0.17SC..G310 helixtrans-50.9-39.9-16776.2-172.5-174.3-176.90115.7V173 F177 V178 S418V173-K175 PolarHBondContact O-N 3.26Å; K175-F177 PolarHBondContact O-N 3.17Å; K175-F177 VanDerWaalsContact O-N 3.08Å; K175-V178 PolarHBondContact O-N 3.18Å; K175-S418 WeakPolarHBondContact CB-OXT 3.36Å
176D92.8Very high93.6Very high108 Ų10835.4 Ų35.458%0.57818%0.183SC*.G310 helixtrans-68.5-12.9-174.7-59.3-34.4000112.4M174 R324M174-D176 VanDerWaalsContact C-N 3.29Å; M174-D176 PolarHBondContact O-N 2.76Å; M174-D176 VanDerWaalsContact O-N 3.1Å; D176-R324 PolarHBondContact O-NH2 3.47Å
177F95.7Very high93.6Very high43 Ų4336.7 Ų36.719%0.18919%0.19CC..G310 helixtrans-113.22.1-176.8-49.2-84.8000112.9P167 M174 K175 I179 L320 R324 L325 P326P167-F177 HydrophobicContact CB-CB 4.44Å; P167-F177 WeakPolarHBondContact CD-O 3.13Å; P167-F177 HydrophobicContact CG-CB 3.8Å; P167-F177 WeakPolarHBondContact CG-O 3.28Å; M174-F177 HydrophobicContact CB-CD2 3.72Å; M174-F177 HydrophobicContact CB-CE2 4.42Å; M174-F177 HydrophobicContact CE-CD2 3.66Å; M174-F177 HydrophobicContact CE-CE2 3.65Å; M174-F177 HydrophobicContact CE-CG 4.4Å; M174-F177 HydrophobicContact CE-CZ 4.43Å; M174-F177 PolarHBondContact O-N 3.29Å; K175-F177 PolarHBondContact O-N 3.17Å; K175-F177 VanDerWaalsContact O-N 3.08Å; F177-I179 PolarHBondContact O-N 3.5Å; F177-L320 HydrophobicContact CB-CD1 4.04Å; F177-L320 WeakPolarHBondContact O-CD1 3.48Å; F177-R324 HydrophobicContact CD1-CB 4.25Å; F177-R324 WeakPolarHBondContact CD1-O 3.17Å; F177-R324 WeakPolarHBondContact CE1-O 3.37Å; F177-L325 HydrophobicContact CB-CD2 3.9Å; F177-L325 HydrophobicContact CD1-CD2 3.94Å; F177-L325 HydrophobicContact CD2-CD2 4.48Å; F177-L325 HydrophobicContact CG-CD2 3.84Å; F177-P326 HydrophobicContact CE1-CG 4.39Å; F177-P326 HydrophobicContact CZ-CG 4.08Å
178V95.8Very high93.6Very high11 Ų1136.6 Ų36.67%0.06719%0.189CC..  trans-70.9129.8176.6177.60000109.6Y105 F106 I165 V166 V173 K175Y105-V178 HydrophobicContact CD1-CG1 4.45Å; F106-V178 HydrophobicContact CE2-CB 4.07Å; F106-V178 HydrophobicContact CE2-CG1 3.75Å; F106-V178 HydrophobicContact CZ-CB 3.73Å; F106-V178 HydrophobicContact CZ-CG1 3.96Å; I165-V178 WeakPolarHBondContact O-CA 3.45Å; V166-V178 HydrophobicContact CG1-CG2 3.96Å; V166-V178 HydrophobicContact CG2-CG1 4.22Å; V173-V178 HydrophobicContact CG1-CG2 3.63Å; K175-V178 PolarHBondContact O-N 3.18Å
179I96Very high93.7Very high21 Ų2136.8 Ų36.811%0.10819%0.19CC..EExtended strand (participates in β ladder)trans-111.8138.1176.3-60.2-178.1000108.9H164 I165 F177 L181 A316 Y319 L320H164-I179 CarbonylContact C-O 3.52Å; H164-I179 WeakPolarHBondContact CA-O 3.2Å; I165-I179 HydrophobicContact CB-CB 4.3Å; I165-I179 HydrophobicContact CD1-CB 4.42Å; I165-I179 HydrophobicContact CD1-CG2 4.41Å; I165-I179 PolarHBondContact N-O 3.37Å; I165-I179 PolarHBondContact O-N 3.01Å; F177-I179 PolarHBondContact O-N 3.5Å; I179-L181 HydrophobicContact CG2-CD2 4.23Å; I179-A316 HydrophobicContact CG2-CB 4.4Å; I179-Y319 HydrophobicContact CD1-CD1 3.8Å; I179-Y319 HydrophobicContact CD1-CE1 4.22Å; I179-L320 HydrophobicContact CD1-CB 3.75Å; I179-L320 HydrophobicContact CD1-CD1 4.22Å; I179-L320 HydrophobicContact CD1-CG 4.47Å
180R94.5Very high93.8Very high70 Ų7038.8 Ų38.826%0.26420%0.198SC..EExtended strand (participates in β ladder)trans-118.2127.7174.8177.4-177.2168.1-178.62109.9K65 Y67 F162 H164K65-R180 PolarHBondContact O-NH2 3.02Å; Y67-R180 PolarHBondContact OH-NH1 2.87Å; F162-R180 HydrophobicContact CB-CG 4.32Å; H164-R180 WeakPolarHBondContact NE2-CD 2.93Å; H164-R180 WeakPolarHBondContact NE2-CG 3.28Å
181L95Very high94.1Very high11 Ų1139.3 Ų39.36%0.05819%0.194CC..EExtended strand (participates in β ladder)trans-103142.2168.3-52.8-179.5000109.4F162 T163 I179 V183 M311 L313 A316F162-L181 WeakPolarHBondContact CA-O 3.23Å; F162-L181 VanDerWaalsContact CB-O 3.28Å; F162-L181 WeakPolarHBondContact CB-O 3.31Å; T163-L181 PolarHBondContact N-O 2.85Å; T163-L181 PolarHBondContact O-N 2.81Å; I179-L181 HydrophobicContact CG2-CD2 4.23Å; L181-V183 VanDerWaalsContact C-N 3.28Å; L181-V183 PolarHBondContact O-N 2.92Å; L181-M311 HydrophobicContact CD2-CB 4.49Å; L181-L313 HydrophobicContact CD1-CB 4.3Å; L181-L313 HydrophobicContact CD1-CD1 4.46Å; L181-A316 HydrophobicContact CD1-CB 4.04Å; L181-A316 HydrophobicContact CD2-CB 3.89Å; L181-A316 HydrophobicContact CG-CB 4.39Å
182T92.6Very high94.5Very high44 Ų4438.5 Ų38.527%0.2719%0.187SC..SBendtrans-77.2-15.8-179.663.80000113.5G184 I187 E310T182-G184 PolarHBondContact O-N 3.09Å; T182-I187 WeakPolarHBondContact O-CD1 3.18Å; T182-E310 VanDerWaalsContact CB-OE2 3.24Å; T182-E310 WeakPolarHBondContact CB-OE2 3.47Å; T182-E310 WeakPolarHBondContact CG2-OE1 2.97Å; T182-E310 WeakPolarHBondContact CG2-OE2 3.44Å; T182-E310 PolarHBondContact N-OE2 3.48Å; T182-E310 PolarHBondContact OG1-OE1 2.94Å; T182-E310 PolarHBondContact OG1-OE2 3.44Å
183V94.7Very high94.8Very high4 Ų434.5 Ų34.52%0.02417%0.165CC..  trans-70.4117.3177.5-174.50000110.9F162 T163 L181 L188 I300 P303F162-V183 CarbonylContact C-O 3.6Å; F162-V183 VanDerWaalsContact C-O 3.24Å; T163-V183 PolarHBondContact N-O 3.4Å; T163-V183 VanDerWaalsContact N-O 3.09Å; T163-V183 PolarHBondContact OG1-O 3.45Å; L181-V183 VanDerWaalsContact C-N 3.28Å; L181-V183 PolarHBondContact O-N 2.92Å; V183-L188 HydrophobicContact CG1-CD2 4.05Å; V183-I300 HydrophobicContact CG1-CG1 4.1Å; V183-P303 HydrophobicContact CG2-CB 3.79Å
184G94.9Very high94.9Very high1 Ų139.2 Ų39.21%0.0119%0.186CC..  trans-140.7-179.9169.500000110.8G159 Y160 T182 K186 I187 L188G159-G184 CarbonylContact O-C 3.44Å; G159-G184 WeakPolarHBondContact O-CA 3.48Å; Y160-G184 CarbonylContact O-C 3.57Å; Y160-G184 VanDerWaalsContact O-C 3.28Å; T182-G184 PolarHBondContact O-N 3.09Å; G184-K186 PolarHBondContact O-N 2.66Å; G184-I187 PolarHBondContact O-N 3.46Å; G184-L188 PolarHBondContact O-N 3.05Å
185G95.5Very high94.8Very high1 Ų138.4 Ų38.41%0.0118%0.184CC..Hα-helixtrans-54.5-29.9-173.500000114.9G159 Y160 L188 T189 K214 N343G159-G185 PolarHBondContact O-N 2.98Å; Y160-G185 PolarHBondContact O-N 2.85Å; G185-L188 PolarHBondContact O-N 2.84Å; G185-T189 PolarHBondContact O-N 2.76Å; G185-T189 PolarHBondContact O-OG1 2.9Å; G185-K214 PolarHBondContact O-NZ 3.36Å; G185-N343 WeakPolarHBondContact CA-OD1 3.26Å; G185-N343 PolarHBondContact N-ND2 2.78Å
186K94.8Very high95Very high64 Ų6433.2 Ų33.228%0.27816%0.161SC..Hα-helixtrans-62.1-44.5175.8-175.7175.2-177.7169.20112.7Y160 G184 L188 T189 N190Y160-K186 HydrophobicContact CD1-CB 4.32Å; Y160-K186 HydrophobicContact CD2-CB 4.35Å; Y160-K186 HydrophobicContact CE1-CB 3.87Å; Y160-K186 HydrophobicContact CE1-CD 3.89Å; Y160-K186 HydrophobicContact CE1-CG 4.22Å; Y160-K186 HydrophobicContact CE2-CB 3.9Å; Y160-K186 HydrophobicContact CE2-CG 4.49Å; Y160-K186 WeakPolarHBondContact O-CB 3.44Å; Y160-K186 PolarHBondContact O-N 2.84Å; G184-K186 PolarHBondContact O-N 2.66Å; K186-L188 VanDerWaalsContact C-N 3.28Å; K186-L188 PolarHBondContact O-N 2.68Å; K186-T189 PolarHBondContact O-N 3.3Å; K186-N190 PolarHBondContact O-N 2.56Å
187I95Very high95Very high28 Ų2829.4 Ų29.414%0.14414%0.143CC..Hα-helixtrans-65-39.8178.8-67-174.5000109.6T182 G184 N190 R191 L299 Y308T182-I187 WeakPolarHBondContact O-CD1 3.18Å; G184-I187 PolarHBondContact O-N 3.46Å; I187-N190 PolarHBondContact O-N 2.94Å; I187-R191 WeakPolarHBondContact O-CB 2.95Å; I187-R191 PolarHBondContact O-N 2.82Å; I187-L299 HydrophobicContact CG2-CD2 4.33Å; I187-Y308 HydrophobicContact CD1-CE1 4.08Å; I187-Y308 HydrophobicContact CG2-CE2 3.69Å
188L97.1Very high94.7Very high0 Ų037.3 Ų37.30%017%0.173CC..Hα-helixtrans-63.3-46176.7-50.4-178.1000111.6V183 G184 G185 K186 N190 R191 L192 K214 V296 L299 I300 F346V183-L188 HydrophobicContact CG1-CD2 4.05Å; G184-L188 PolarHBondContact O-N 3.05Å; G185-L188 PolarHBondContact O-N 2.84Å; K186-L188 VanDerWaalsContact C-N 3.28Å; K186-L188 PolarHBondContact O-N 2.68Å; L188-N190 PolarHBondContact O-N 3.12Å; L188-R191 PolarHBondContact O-N 3.29Å; L188-L192 PolarHBondContact O-N 2.97Å; L188-K214 HydrophobicContact CB-CD 4.05Å; L188-V296 HydrophobicContact CB-CG1 3.91Å; L188-V296 WeakPolarHBondContact CD2-O 3.12Å; L188-V296 VanDerWaalsContact O-CG1 3.23Å; L188-V296 WeakPolarHBondContact O-CG1 3.34Å; L188-L299 HydrophobicContact CD2-CB 3.84Å; L188-I300 HydrophobicContact CD1-CD1 3.8Å; L188-I300 HydrophobicContact CD1-CG1 3.97Å; L188-I300 HydrophobicContact CD2-CG1 4.17Å; L188-F346 HydrophobicContact CD1-CE2 3.81Å; L188-F346 HydrophobicContact CD1-CZ 4.31Å
189T96Very high94.2Very high4 Ų443.2 Ų43.23%0.02519%0.194CC..Hα-helixtrans-60.3-44.9176.2-580000111.2G185 K186 R191 L192 I193 N211 K214G185-T189 PolarHBondContact O-N 2.76Å; G185-T189 PolarHBondContact O-OG1 2.9Å; K186-T189 PolarHBondContact O-N 3.3Å; T189-R191 VanDerWaalsContact C-N 3.35Å; T189-R191 PolarHBondContact O-N 2.94Å; T189-L192 PolarHBondContact O-N 3.21Å; T189-I193 HydrophobicContact CG2-CD1 4.08Å; T189-I193 VanDerWaalsContact O-CG1 3.32Å; T189-I193 WeakPolarHBondContact O-CG1 3.37Å; T189-I193 PolarHBondContact O-N 3.16Å; T189-N211 HydrophobicContact CG2-CB 4.02Å; T189-N211 PolarHBondContact OG1-OD1 2.81Å; T189-K214 PolarHBondContact OG1-NZ 2.83Å
190N94.6Very high93.4Very high64 Ų6446.4 Ų46.434%0.34221%0.208SC..Hα-helixtrans-61.6-42.5175.9-72.6-3.7000112K186 I187 L188 L192 I193 E194K186-N190 PolarHBondContact O-N 2.56Å; I187-N190 PolarHBondContact O-N 2.94Å; L188-N190 PolarHBondContact O-N 3.12Å; N190-L192 VanDerWaalsContact C-N 3.32Å; N190-L192 PolarHBondContact O-N 3.08Å; N190-I193 WeakPolarHBondContact O-CB 3.27Å; N190-I193 PolarHBondContact O-N 3.35Å; N190-E194 WeakPolarHBondContact O-CG 3.4Å; N190-E194 PolarHBondContact O-N 2.91Å
191R95.3Very high93Very high80 Ų8045.8 Ų45.830%0.30221%0.21SC..Hα-helixtrans-63.8-38.7178.7-176.764.4-176.193.8-2.7112.2I187 L188 T189 A195 V296 L299I187-R191 WeakPolarHBondContact O-CB 2.95Å; I187-R191 PolarHBondContact O-N 2.82Å; L188-R191 PolarHBondContact O-N 3.29Å; T189-R191 VanDerWaalsContact C-N 3.35Å; T189-R191 PolarHBondContact O-N 2.94Å; R191-A195 WeakPolarHBondContact O-CB 3.41Å; R191-A195 PolarHBondContact O-N 2.99Å; R191-V296 HydrophobicContact CB-CG1 4.43Å; R191-V296 HydrophobicContact CG-CG2 4.18Å; R191-L299 HydrophobicContact CB-CD2 4.02Å; R191-L299 HydrophobicContact CG-CD1 4.35Å; R191-L299 HydrophobicContact CG-CD2 3.81Å
192L96.7Very high92.6Very high0 Ų049.3 Ų49.30%023%0.229CC..Hα-helixtrans-64.8-45.6174.4-177.463.3000111L188 T189 N190 E194 A195 V196 M210 K214 L289 E292 V296L188-L192 PolarHBondContact O-N 2.97Å; T189-L192 PolarHBondContact O-N 3.21Å; N190-L192 VanDerWaalsContact C-N 3.32Å; N190-L192 PolarHBondContact O-N 3.08Å; L192-E194 VanDerWaalsContact C-N 3.32Å; L192-E194 PolarHBondContact O-N 3.27Å; L192-A195 PolarHBondContact O-N 3.46Å; L192-V196 HydrophobicContact CD1-CG2 3.97Å; L192-V196 HydrophobicContact CG-CG2 4.31Å; L192-V196 WeakPolarHBondContact O-CB 3.39Å; L192-V196 VanDerWaalsContact O-CG2 3.32Å; L192-V196 WeakPolarHBondContact O-CG2 3.35Å; L192-V196 PolarHBondContact O-N 3.33Å; L192-M210 HydrophobicContact CD2-CE 3.74Å; L192-M210 HydrophobicContact CG-CE 3.69Å; L192-K214 HydrophobicContact CD2-CB 3.66Å; L192-K214 HydrophobicContact CD2-CG 4.4Å; L192-L289 HydrophobicContact CD1-CD2 4.14Å; L192-E292 HydrophobicContact CD1-CB 3.94Å; L192-V296 HydrophobicContact CB-CG1 4.34Å; L192-V296 HydrophobicContact CB-CG2 4.25Å; L192-V296 HydrophobicContact CD1-CG2 4.25Å
193I95.8Very high92.5Very high12 Ų1247.3 Ų47.36%0.06222%0.216CC..Hα-helixtrans-55.3-48.3175.6-72.5164.5000110.7T189 N190 V196 S197 V203 R204 I207 M210T189-I193 HydrophobicContact CG2-CD1 4.08Å; T189-I193 VanDerWaalsContact O-CG1 3.32Å; T189-I193 WeakPolarHBondContact O-CG1 3.37Å; T189-I193 PolarHBondContact O-N 3.16Å; N190-I193 WeakPolarHBondContact O-CB 3.27Å; N190-I193 PolarHBondContact O-N 3.35Å; I193-V196 PolarHBondContact O-N 3.47Å; I193-S197 WeakPolarHBondContact O-CB 3.43Å; I193-S197 PolarHBondContact O-N 2.81Å; I193-S197 PolarHBondContact O-OG 2.82Å; I193-V203 HydrophobicContact CG2-CG2 4.5Å; I193-R204 HydrophobicContact CG2-CB 4.37Å; I193-R204 HydrophobicContact CG2-CG 4Å; I193-I207 HydrophobicContact CD1-CB 4.47Å; I193-I207 HydrophobicContact CD1-CG1 4.14Å; I193-M210 HydrophobicContact CD1-CB 4.1Å; I193-M210 HydrophobicContact CG1-CB 3.61Å; I193-M210 HydrophobicContact CG1-CG 3.79Å
194E94.5Very high92.2Very high122 Ų12255 Ų5557%0.5725%0.245SC*.Hα-helixtrans-61.4-46.9178.4-72.8172-177.400112N190 L192 V196 Y198N190-E194 WeakPolarHBondContact O-CG 3.4Å; N190-E194 PolarHBondContact O-N 2.91Å; L192-E194 VanDerWaalsContact C-N 3.32Å; L192-E194 PolarHBondContact O-N 3.27Å; E194-V196 PolarHBondContact O-N 2.93Å; E194-Y198 WeakPolarHBondContact O-CB 3.46Å; E194-Y198 PolarHBondContact O-N 3.49Å; E194-Y198 VanDerWaalsContact O-N 3.12Å
195A93.3Very high91.8Very high10 Ų1057.7 Ų57.78%0.08326%0.264CS..Hα-helixtrans-61.2-44.9179.800000112.2R191 L192 R199 E292R191-A195 WeakPolarHBondContact O-CB 3.41Å; R191-A195 PolarHBondContact O-N 2.99Å; L192-A195 PolarHBondContact O-N 3.46Å; A195-R199 WeakPolarHBondContact O-CG 3.43Å; A195-R199 PolarHBondContact O-N 3.37Å; A195-E292 HydrophobicContact CB-CG 3.89Å
196V94Very high91.4Very high0 Ų059.1 Ų59.10%027%0.27CS..Hα-helixtrans-71.1-44.3-179.1173.10000111.3L192 I193 E194 Y198 R199 H200 L201 V203 M210 L287 L289L192-V196 HydrophobicContact CD1-CG2 3.97Å; L192-V196 HydrophobicContact CG-CG2 4.31Å; L192-V196 WeakPolarHBondContact O-CB 3.39Å; L192-V196 VanDerWaalsContact O-CG2 3.32Å; L192-V196 WeakPolarHBondContact O-CG2 3.35Å; L192-V196 PolarHBondContact O-N 3.33Å; I193-V196 PolarHBondContact O-N 3.47Å; E194-V196 PolarHBondContact O-N 2.93Å; V196-Y198 VanDerWaalsContact C-N 3.26Å; V196-Y198 PolarHBondContact O-N 3.24Å; V196-R199 PolarHBondContact O-N 2.8Å; V196-R199 VanDerWaalsContact O-N 3.15Å; V196-H200 HydrophobicContact CG1-CB 4.38Å; V196-H200 PolarHBondContact O-N 3.08Å; V196-L201 PolarHBondContact O-N 2.97Å; V196-V203 HydrophobicContact CB-CG2 3.96Å; V196-V203 HydrophobicContact CG1-CG1 4.36Å; V196-V203 HydrophobicContact CG1-CG2 3.66Å; V196-M210 HydrophobicContact CB-CE 4.32Å; V196-M210 HydrophobicContact CG1-CE 4.5Å; V196-M210 HydrophobicContact CG2-CE 3.96Å; V196-L287 HydrophobicContact CG1-CD1 3.89Å; V196-L287 HydrophobicContact CG1-CD2 3.69Å; V196-L287 HydrophobicContact CG1-CG 4.3Å; V196-L289 HydrophobicContact CG2-CD2 3.57Å
197S93.3Very high91.2Very high28 Ų2859.5 Ų59.520%0.19627%0.274CS..Hα-helixtrans-64.2-31.8-178.4-56.40000112.9I193 L201 V203I193-S197 WeakPolarHBondContact O-CB 3.43Å; I193-S197 PolarHBondContact O-N 2.81Å; I193-S197 PolarHBondContact O-OG 2.82Å; S197-L201 VanDerWaalsContact CA-O 3.26Å; S197-L201 WeakPolarHBondContact CA-O 3.29Å; S197-V203 WeakPolarHBondContact OG-CG2 3.3Å; S197-V203 PolarHBondContact OG-N 2.78Å; S197-V203 VanDerWaalsContact OG-N 3.12Å
198Y89.1Confident90.9Very high208 Ų20860.3 Ų60.382%0.81628%0.276SS*.Hα-helixtrans-73.9-31.8176.2-174.6-97.2000113.3E194 V196E194-Y198 WeakPolarHBondContact O-CB 3.46Å; E194-Y198 PolarHBondContact O-N 3.49Å; E194-Y198 VanDerWaalsContact O-N 3.12Å; V196-Y198 VanDerWaalsContact C-N 3.26Å; V196-Y198 PolarHBondContact O-N 3.24Å
199R85.4Confident90.6Very high136 Ų13660.6 Ų60.651%0.51328%0.277SS..Hα-helixtrans-104-32.4-169.1-69.7-179.1176.6159.3-0.5115A195 V196 N291 E292A195-R199 WeakPolarHBondContact O-CG 3.43Å; A195-R199 PolarHBondContact O-N 3.37Å; V196-R199 PolarHBondContact O-N 2.8Å; V196-R199 VanDerWaalsContact O-N 3.15Å; R199-N291 PolarHBondContact NH1-OD1 2.69Å; R199-E292 IonicContact CZ-OE1 3.33Å; R199-E292 IonicContact NH1-OE1 2.92Å; R199-E292 PolarHBondContact NH1-OE1 3.46Å
200H79.5Confident90.5Very high87 Ų8760.4 Ų60.440%0.40328%0.276SS..THydrogen-bonded Turntrans-126.3-74.3-165-6099.5000112.2V196 L287 R288V196-H200 HydrophobicContact CG1-CB 4.38Å; V196-H200 PolarHBondContact O-N 3.08Å; H200-L287 HydrophobicContact CB-CD2 4.45Å; H200-R288 PolarHBondContact CE1-O 2.71Å; H200-R288 PolarHBondContact NE2-O 3.31Å
201L85.3Confident90.5Very high58 Ų5859.1 Ų59.130%0.30427%0.269SS..  trans-143.8135-171.3177.268.4000107.8V196 S197 V203 L246 Y285 L287V196-L201 PolarHBondContact O-N 2.97Å; S197-L201 VanDerWaalsContact CA-O 3.26Å; S197-L201 WeakPolarHBondContact CA-O 3.29Å; L201-V203 HydrophobicContact CB-CG1 4.38Å; L201-V203 HydrophobicContact CD2-CG1 4.13Å; L201-V203 HydrophobicContact CG-CG1 4.19Å; L201-V203 PolarHBondContact O-N 3.12Å; L201-L246 HydrophobicContact CD2-CD1 3.86Å; L201-Y285 HydrophobicContact CD1-CD1 4.15Å; L201-Y285 HydrophobicContact CD1-CE1 4.3Å; L201-Y285 HydrophobicContact CD2-CD1 3.81Å; L201-Y285 HydrophobicContact CD2-CG 4.07Å; L201-L287 HydrophobicContact CB-CD2 4.06Å; L201-L287 HydrophobicContact CD2-CD2 4.39Å
202D87.7Confident90.5Very high84 Ų8456.5 Ų56.545%0.44926%0.26SS..  trans-64.7106.1174.2-172.64.1000110.2R204D202-R204 WeakPolarHBondContact OD1-CB 3.2Å; D202-R204 VanDerWaalsContact OD1-CG 3.24Å; D202-R204 WeakPolarHBondContact OD1-CG 3.39Å; D202-R204 IonicContact OD1-CZ 3.86Å; D202-R204 PolarHBondContact OD1-N 3.05Å; D202-R204 IonicContact OD1-NE 2.82Å; D202-R204 PolarHBondContact OD1-NE 3.11Å; D202-R204 IonicContact OD1-NH2 3.9Å; D202-R204 IonicContact OD2-CZ 2.82Å; D202-R204 IonicContact OD2-NE 3.28Å; D202-R204 PolarHBondContact OD2-NE 2.97Å; D202-R204 IonicContact OD2-NH2 3.66Å; D202-R204 PolarHBondContact OD2-NH2 2.91Å
203V89.5Confident90.4Very high2 Ų256.5 Ų56.51%0.01226%0.26CS..  trans-114.619.2-178.2-67.70000111.4I193 V196 S197 L201 S205 E206 M210 L287I193-V203 HydrophobicContact CG2-CG2 4.5Å; V196-V203 HydrophobicContact CB-CG2 3.96Å; V196-V203 HydrophobicContact CG1-CG1 4.36Å; V196-V203 HydrophobicContact CG1-CG2 3.66Å; S197-V203 WeakPolarHBondContact OG-CG2 3.3Å; S197-V203 PolarHBondContact OG-N 2.78Å; S197-V203 VanDerWaalsContact OG-N 3.12Å; L201-V203 HydrophobicContact CB-CG1 4.38Å; L201-V203 HydrophobicContact CD2-CG1 4.13Å; L201-V203 HydrophobicContact CG-CG1 4.19Å; L201-V203 PolarHBondContact O-N 3.12Å; V203-S205 PolarHBondContact O-N 3.46Å; V203-E206 HydrophobicContact CB-CB 4.26Å; V203-E206 PolarHBondContact O-N 3.07Å; V203-M210 HydrophobicContact CB-CG 4.01Å; V203-M210 HydrophobicContact CB-SD 4.05Å; V203-M210 HydrophobicContact CG1-SD 4.28Å; V203-M210 HydrophobicContact CG2-CE 4.29Å; V203-M210 HydrophobicContact CG2-CG 3.94Å; V203-M210 HydrophobicContact CG2-SD 3.87Å; V203-L287 HydrophobicContact CG1-CD2 4.43Å
204R88.6Confident90.5Very high167 Ų16756.2 Ų56.263%0.6326%0.259SS*.THydrogen-bonded Turntrans-62.2-26.3-177.8-69.6177.5-59.9132.42.5113.9I193 D202I193-R204 HydrophobicContact CG2-CB 4.37Å; I193-R204 HydrophobicContact CG2-CG 4Å; D202-R204 WeakPolarHBondContact OD1-CB 3.2Å; D202-R204 VanDerWaalsContact OD1-CG 3.24Å; D202-R204 WeakPolarHBondContact OD1-CG 3.39Å; D202-R204 IonicContact OD1-CZ 3.86Å; D202-R204 PolarHBondContact OD1-N 3.05Å; D202-R204 IonicContact OD1-NE 2.82Å; D202-R204 PolarHBondContact OD1-NE 3.11Å; D202-R204 IonicContact OD1-NH2 3.9Å; D202-R204 IonicContact OD2-CZ 2.82Å; D202-R204 IonicContact OD2-NE 3.28Å; D202-R204 PolarHBondContact OD2-NE 2.97Å; D202-R204 IonicContact OD2-NH2 3.66Å; D202-R204 PolarHBondContact OD2-NH2 2.91Å
205S86.2Confident90.6Very high57 Ų5755.7 Ų55.740%0.39926%0.256SS..THydrogen-bonded Turntrans-83.6-11.3174.152.50000113.7V203 I207V203-S205 PolarHBondContact O-N 3.46Å; S205-I207 PolarHBondContact O-N 2.93Å
206E88.6Confident90.8Very high30 Ų3057.8 Ų57.814%0.1427%0.266CS..  trans-102.244.7-166.8-54.5-47.7129.200112.1S55 S56 V203 Y208 I209 M210S55-E206 WeakPolarHBondContact CA-OE2 3.22Å; S56-E206 PolarHBondContact N-OE1 2.76Å; S56-E206 VanDerWaalsContact N-OE1 3.14Å; V203-E206 HydrophobicContact CB-CB 4.26Å; V203-E206 PolarHBondContact O-N 3.07Å; E206-Y208 VanDerWaalsContact C-N 3.31Å; E206-Y208 PolarHBondContact O-N 3.5Å; E206-I209 HydrophobicContact CB-CB 4.4Å; E206-I209 HydrophobicContact CB-CD1 4.17Å; E206-I209 HydrophobicContact CG-CD1 4.45Å; E206-I209 PolarHBondContact O-N 2.88Å; E206-I209 WeakPolarHBondContact OE2-CD1 3.44Å; E206-M210 HydrophobicContact CB-CG 4.46Å; E206-M210 WeakPolarHBondContact O-CB 3.48Å; E206-M210 VanDerWaalsContact O-CG 3.27Å; E206-M210 WeakPolarHBondContact O-CG 3.48Å; E206-M210 PolarHBondContact O-N 2.94Å
207I89.5Confident91Very high73 Ų7357.8 Ų57.837%0.37427%0.266SS..Hα-helixtrans-57.5-43.2-172.2-59.3172.1000112I193 S205 M210 N211I193-I207 HydrophobicContact CD1-CB 4.47Å; I193-I207 HydrophobicContact CD1-CG1 4.14Å; S205-I207 PolarHBondContact O-N 2.93Å; I207-M210 PolarHBondContact O-N 2.8Å; I207-N211 PolarHBondContact O-N 3.01Å
208Y89.3Confident91.2Very high44 Ų4456.7 Ų56.717%0.17326%0.258CS..Hα-helixtrans-63.2-50.3-179-176.7-97.9000111.6D29 F33 I48 L54 E206 M210 N211 Q212D29-Y208 WeakPolarHBondContact OD2-CE2 3.18Å; F33-Y208 AromaticContact CE1-CD2 3.97Å; F33-Y208 HydrophobicContact CE1-CD2 3.97Å; F33-Y208 HydrophobicContact CE2-CD2 4.27Å; F33-Y208 HydrophobicContact CE2-CE2 4.41Å; F33-Y208 AromaticContact CZ-CD2 3.57Å; F33-Y208 HydrophobicContact CZ-CD2 3.57Å; F33-Y208 HydrophobicContact CZ-CE2 4.1Å; F33-Y208 HydrophobicContact CZ-CG 4.5Å; I48-Y208 HydrophobicContact CD1-CD1 4.22Å; I48-Y208 HydrophobicContact CD1-CD2 3.84Å; I48-Y208 HydrophobicContact CD1-CE1 4.2Å; I48-Y208 HydrophobicContact CD1-CE2 3.82Å; I48-Y208 HydrophobicContact CD1-CG 4.04Å; I48-Y208 HydrophobicContact CG2-CE2 4.44Å; L54-Y208 HydrophobicContact CD1-CD1 4.15Å; L54-Y208 HydrophobicContact CD1-CE1 3.95Å; E206-Y208 VanDerWaalsContact C-N 3.31Å; E206-Y208 PolarHBondContact O-N 3.5Å; Y208-M210 VanDerWaalsContact C-N 3.31Å; Y208-M210 PolarHBondContact O-N 3.08Å; Y208-N211 PolarHBondContact O-N 3.29Å; Y208-Q212 HydrophobicContact CE1-CG 4.42Å; Y208-Q212 VanDerWaalsContact CE1-NE2 3.3Å; Y208-Q212 PolarHBondContact O-N 2.85Å; Y208-Q212 PolarHBondContact OH-NE2 3.15Å
209I91.5Very high91.6Very high7 Ų748.5 Ų48.54%0.03623%0.226CC..Hα-helixtrans-63.3-40.5179.4-54.2171000110.4E206 N211 Q212 C213 L246 P247 Y249E206-I209 HydrophobicContact CB-CB 4.4Å; E206-I209 HydrophobicContact CB-CD1 4.17Å; E206-I209 HydrophobicContact CG-CD1 4.45Å; E206-I209 PolarHBondContact O-N 2.88Å; E206-I209 WeakPolarHBondContact OE2-CD1 3.44Å; I209-N211 VanDerWaalsContact C-N 3.31Å; I209-N211 PolarHBondContact O-N 3.17Å; I209-Q212 PolarHBondContact O-N 3Å; I209-C213 WeakPolarHBondContact O-CB 3.08Å; I209-C213 PolarHBondContact O-N 3.08Å; I209-L246 HydrophobicContact CG2-CD2 3.65Å; I209-P247 HydrophobicContact CD1-CG 3.92Å; I209-P247 HydrophobicContact CG1-CG 4.25Å; I209-P247 HydrophobicContact CG2-CG 4.17Å; I209-Y249 WeakPolarHBondContact CD1-OH 3.17Å
210M93.9Very high92.2Very high0 Ų042.2 Ų42.20%020%0.203CC..Hα-helixtrans-70.6-26.9179.8-68.4-52.4-55.600112.9L192 I193 V196 V203 E206 I207 Y208 C213 K214 L287L192-M210 HydrophobicContact CD2-CE 3.74Å; L192-M210 HydrophobicContact CG-CE 3.69Å; I193-M210 HydrophobicContact CD1-CB 4.1Å; I193-M210 HydrophobicContact CG1-CB 3.61Å; I193-M210 HydrophobicContact CG1-CG 3.79Å; V196-M210 HydrophobicContact CB-CE 4.32Å; V196-M210 HydrophobicContact CG1-CE 4.5Å; V196-M210 HydrophobicContact CG2-CE 3.96Å; V203-M210 HydrophobicContact CB-CG 4.01Å; V203-M210 HydrophobicContact CB-SD 4.05Å; V203-M210 HydrophobicContact CG1-SD 4.28Å; V203-M210 HydrophobicContact CG2-CE 4.29Å; V203-M210 HydrophobicContact CG2-CG 3.94Å; V203-M210 HydrophobicContact CG2-SD 3.87Å; E206-M210 HydrophobicContact CB-CG 4.46Å; E206-M210 WeakPolarHBondContact O-CB 3.48Å; E206-M210 VanDerWaalsContact O-CG 3.27Å; E206-M210 WeakPolarHBondContact O-CG 3.48Å; E206-M210 PolarHBondContact O-N 2.94Å; I207-M210 PolarHBondContact O-N 2.8Å; Y208-M210 VanDerWaalsContact C-N 3.31Å; Y208-M210 PolarHBondContact O-N 3.08Å; M210-C213 HydrophobicContact CE-CB 4.34Å; M210-C213 HydrophobicContact SD-CB 4.42Å; M210-K214 WeakPolarHBondContact O-CB 3.31Å; M210-K214 PolarHBondContact O-N 3.25Å; M210-L287 HydrophobicContact CE-CD1 4.1Å; M210-L287 HydrophobicContact SD-CD1 3.72Å
211N94.6Very high93.1Very high37 Ų3738.1 Ų38.120%0.19818%0.184CC..Hα-helixtrans-67.5-45.1169.2-172.370.7000111.7T189 I207 Y208 I209 C213 K214 E215T189-N211 HydrophobicContact CG2-CB 4.02Å; T189-N211 PolarHBondContact OG1-OD1 2.81Å; I207-N211 PolarHBondContact O-N 3.01Å; Y208-N211 PolarHBondContact O-N 3.29Å; I209-N211 VanDerWaalsContact C-N 3.31Å; I209-N211 PolarHBondContact O-N 3.17Å; N211-C213 VanDerWaalsContact C-N 3.35Å; N211-K214 WeakPolarHBondContact O-CB 3.49Å; N211-K214 PolarHBondContact O-N 3.39Å; N211-K214 PolarHBondContact OD1-NZ 2.95Å; N211-E215 PolarHBondContact ND2-OE1 2.94Å; N211-E215 WeakPolarHBondContact O-CG 3.35Å; N211-E215 PolarHBondContact O-N 3.19Å
212Q94.1Very high93.6Very high24 Ų2438.6 Ų38.611%0.11219%0.189CC..Hα-helixtrans-60.7-45.9175.1-66.1-179.9-34.500111.1Y208 I209 K214 E215 D216Y208-Q212 HydrophobicContact CE1-CG 4.42Å; Y208-Q212 VanDerWaalsContact CE1-NE2 3.3Å; Y208-Q212 PolarHBondContact O-N 2.85Å; Y208-Q212 PolarHBondContact OH-NE2 3.15Å; I209-Q212 PolarHBondContact O-N 3Å; Q212-K214 VanDerWaalsContact C-N 3.34Å; Q212-K214 PolarHBondContact O-N 2.83Å; Q212-E215 PolarHBondContact O-N 2.86Å; Q212-E215 VanDerWaalsContact O-N 3.16Å; Q212-D216 WeakPolarHBondContact O-CB 3.13Å; Q212-D216 PolarHBondContact O-N 2.89Å
213C95.9Very high94.1Very high0 Ų038.1 Ų38.10%019%0.187CC..Hα-helixtrans-54.5-49.1175.1178.70000111.6I209 M210 N211 E215 D216 V217 Y244 L289I209-C213 WeakPolarHBondContact O-CB 3.08Å; I209-C213 PolarHBondContact O-N 3.08Å; M210-C213 HydrophobicContact CE-CB 4.34Å; M210-C213 HydrophobicContact SD-CB 4.42Å; N211-C213 VanDerWaalsContact C-N 3.35Å; C213-E215 PolarHBondContact O-N 3.04Å; C213-D216 PolarHBondContact O-N 2.75Å; C213-V217 WeakPolarHBondContact O-CG2 3.37Å; C213-V217 PolarHBondContact O-N 3.35Å; C213-Y244 HydrophobicContact CB-CD1 3.94Å; C213-Y244 HydrophobicContact CB-CD2 4.48Å; C213-Y244 HydrophobicContact CB-CE1 3.68Å; C213-Y244 HydrophobicContact CB-CE2 4.27Å; C213-Y244 HydrophobicContact CB-CG 4.32Å; C213-L289 WeakPolarHBondContact SG-CD1 3.39Å
214K97.5Very high94.4Very high6 Ų640.3 Ų40.33%0.02620%0.196CC..Hα-helixtrans-56-49.2175.4179.3-155.167.2-179.40111.6G185 L188 T189 L192 M210 N211 Q212 D216 C218 F346G185-K214 PolarHBondContact O-NZ 3.36Å; L188-K214 HydrophobicContact CB-CD 4.05Å; T189-K214 PolarHBondContact OG1-NZ 2.83Å; L192-K214 HydrophobicContact CD2-CB 3.66Å; L192-K214 HydrophobicContact CD2-CG 4.4Å; M210-K214 WeakPolarHBondContact O-CB 3.31Å; M210-K214 PolarHBondContact O-N 3.25Å; N211-K214 WeakPolarHBondContact O-CB 3.49Å; N211-K214 PolarHBondContact O-N 3.39Å; N211-K214 PolarHBondContact OD1-NZ 2.95Å; Q212-K214 VanDerWaalsContact C-N 3.34Å; Q212-K214 PolarHBondContact O-N 2.83Å; K214-D216 VanDerWaalsContact C-N 3.28Å; K214-D216 PolarHBondContact O-N 3.04Å; K214-C218 HydrophobicContact CG-CB 4.3Å; K214-C218 WeakPolarHBondContact O-CB 3.27Å; K214-C218 PolarHBondContact O-N 3.31Å; K214-F346 HydrophobicContact CD-CZ 4.02Å; K214-F346 HydrophobicContact CG-CE1 4.26Å; K214-F346 HydrophobicContact CG-CZ 4.02Å
215E96.6Very high94.8Very high111 Ų11141 Ų4152%0.51920%0.199SC..Hα-helixtrans-64-33.8-179.4-71.5170-168.300112.5N211 Q212 C213N211-E215 PolarHBondContact ND2-OE1 2.94Å; N211-E215 WeakPolarHBondContact O-CG 3.35Å; N211-E215 PolarHBondContact O-N 3.19Å; Q212-E215 PolarHBondContact O-N 2.86Å; Q212-E215 VanDerWaalsContact O-N 3.16Å; C213-E215 PolarHBondContact O-N 3.04Å
216D97Very high95.3Very high54 Ų5442.4 Ų42.429%0.28920%0.2SC..Hα-helixtrans-78.1-35.7-179.9-68.4-21.9000113.5Q212 C213 K214 Y244 R254 V257Q212-D216 WeakPolarHBondContact O-CB 3.13Å; Q212-D216 PolarHBondContact O-N 2.89Å; C213-D216 PolarHBondContact O-N 2.75Å; K214-D216 VanDerWaalsContact C-N 3.28Å; K214-D216 PolarHBondContact O-N 3.04Å; D216-Y244 HydrophobicContact CB-CE2 3.81Å; D216-Y244 VanDerWaalsContact OD2-CE2 3.28Å; D216-Y244 WeakPolarHBondContact OD2-CE2 3.33Å; D216-Y244 PolarHBondContact OD2-OH 3.4Å; D216-R254 IonicContact OD1-CZ 2.74Å; D216-R254 IonicContact OD1-NH1 3.73Å; D216-R254 PolarHBondContact OD1-NH1 3.28Å; D216-R254 IonicContact OD1-NH2 3.7Å; D216-R254 PolarHBondContact OD1-NH2 3.39Å; D216-R254 IonicContact OD2-CZ 3.47Å; D216-R254 IonicContact OD2-NH1 2.71Å; D216-R254 PolarHBondContact OD2-NH1 2.91Å; D216-R254 IonicContact OD2-NH2 3.43Å; D216-R254 PolarHBondContact OD2-NH2 2.97Å; D216-V257 HydrophobicContact CB-CG2 3.8Å
217V97.1Very high95.7Very high1 Ų142.2 Ų42.21%0.00620%0.199CC..Hα-helixtrans-110.9-28.8-167.1-570000114.7C213 Y244 V257 L289 R293C213-V217 WeakPolarHBondContact O-CG2 3.37Å; C213-V217 PolarHBondContact O-N 3.35Å; V217-Y244 HydrophobicContact CG1-CD2 3.66Å; V217-Y244 HydrophobicContact CG1-CE2 4.31Å; V217-Y244 HydrophobicContact CG1-CG 4.46Å; V217-V257 HydrophobicContact CG1-CG1 4.26Å; V217-V257 HydrophobicContact CG1-CG2 3.67Å; V217-L289 HydrophobicContact CB-CD1 4.17Å; V217-L289 HydrophobicContact CG1-CD1 4.12Å; V217-L289 HydrophobicContact CG2-CD1 3.48Å; V217-L289 VanDerWaalsContact CG2-CD1 3.48Å; V217-R293 HydrophobicContact CB-CG 4.45Å; V217-R293 HydrophobicContact CG2-CG 4.45Å; V217-R293 VanDerWaalsContact O-CZ 3.31Å; V217-R293 PolarHBondContact O-NE 3.09Å; V217-R293 PolarHBondContact O-NH2 3.29Å
218C98.2Very high96.1Very high4 Ų440.4 Ų40.43%0.02719%0.19CC..  trans-83152.6-171.9-69.40000111.8K214 R293 P297 F346K214-C218 HydrophobicContact CG-CB 4.3Å; K214-C218 WeakPolarHBondContact O-CB 3.27Å; K214-C218 PolarHBondContact O-N 3.31Å; C218-R293 CarbonylContact C-O 3.6Å; C218-R293 WeakPolarHBondContact CA-O 3.43Å; C218-R293 WeakPolarHBondContact CB-O 2.81Å; C218-P297 HydrophobicContact CB-CG 3.69Å; C218-F346 HydrophobicContact CB-CD1 4.15Å; C218-F346 HydrophobicContact CB-CE1 3.62Å; C218-F346 HydrophobicContact CB-CZ 4.39Å; C218-F346 WeakPolarHBondContact O-CD1 3.44Å
219Y98.3Very high96.5Very high37 Ų3745 Ų4515%0.14521%0.21CC..  trans-152.3159.4178.167.7-85.9000109.9D227 R293 F294 P297 P347Y219-D227 VanDerWaalsContact CE2-OD2 3.31Å; Y219-D227 WeakPolarHBondContact CE2-OD2 3.48Å; Y219-D227 PolarHBondContact OH-OD2 3.19Å; Y219-R293 HydrophobicContact CD1-CB 4.11Å; Y219-R293 HydrophobicContact CE1-CB 3.83Å; Y219-R293 PolarHBondContact N-O 3.35Å; Y219-F294 HydrophobicContact CD2-CB 4.48Å; Y219-F294 HydrophobicContact CE1-CB 4.27Å; Y219-F294 HydrophobicContact CE2-CB 3.94Å; Y219-F294 WeakPolarHBondContact O-CA 3.32Å; Y219-F294 WeakPolarHBondContact OH-CD1 3.29Å; Y219-P297 WeakPolarHBondContact O-CG 3.42Å; Y219-P347 WeakPolarHBondContact CB-O 3.38Å
220V98.2Very high96.7Very high3 Ų346.3 Ų46.32%0.01822%0.217CC..  trans-91.2123.5174.8174.50000108.8P297 F301 F346 P347 F349 R352V220-P297 HydrophobicContact CG2-CB 3.81Å; V220-F301 HydrophobicContact CG1-CD2 4.38Å; V220-F301 HydrophobicContact CG1-CE2 3.53Å; V220-F301 HydrophobicContact CG1-CZ 3.98Å; V220-F301 HydrophobicContact CG2-CE2 4.13Å; V220-F346 HydrophobicContact CG2-CB 3.95Å; V220-F346 HydrophobicContact CG2-CD2 4.49Å; V220-F346 HydrophobicContact CG2-CG 4.49Å; V220-P347 PolarHBondContact N-O 3.43Å; V220-F349 HydrophobicContact CB-CB 4.46Å; V220-F349 HydrophobicContact CG2-CB 4.11Å; V220-F349 HydrophobicContact CG2-CD2 3.87Å; V220-F349 HydrophobicContact CG2-CG 4.41Å; V220-R352 HydrophobicContact CG1-CB 3.52Å; V220-R352 HydrophobicContact CG1-CG 3.67Å
221S97.8Very high96.8Very high2 Ų246.8 Ų46.81%0.01422%0.22CC..  trans-78.7138.1177.8-171.70000111.6D223 F224 D227 R352S221-D223 PolarHBondContact OG-N 2.94Å; S221-D223 PolarHBondContact OG-O 2.84Å; S221-F224 PolarHBondContact OG-N 3.16Å; S221-D227 WeakPolarHBondContact CB-OD2 3.28Å; S221-D227 PolarHBondContact OG-OD2 3.2Å; S221-R352 WeakPolarHBondContact O-CD 3.41Å; S221-R352 PolarHBondContact O-NH1 2.94Å
222T96.5Very high96.9Very high67 Ų6753.9 Ų53.941%0.41124%0.244SC..SBendtrans-87.6-17170.7570000112.6E351 R352 K355T222-E351 HydrophobicContact CG2-CB 3.93Å; T222-R352 HydrophobicContact CG2-CB 4.35Å; T222-K355 PolarHBondContact O-NZ 2.89Å
223D96.4Very high96.9Very high75 Ų7554.7 Ų54.740%0.40125%0.253SS..SBendtrans-142.187.2173.4-172.2-20.8000109.7S221 W225 Q226 D227S221-D223 PolarHBondContact OG-N 2.94Å; S221-D223 PolarHBondContact OG-O 2.84Å; D223-W225 VanDerWaalsContact C-N 3.27Å; D223-W225 PolarHBondContact O-N 3.05Å; D223-W225 PolarHBondContact OD1-N 2.98Å; D223-Q226 HydrophobicContact CB-CB 3.99Å; D223-Q226 VanDerWaalsContact CG-CB 3.41Å; D223-Q226 PolarHBondContact O-N 2.88Å; D223-Q226 PolarHBondContact OD1-N 3.39Å; D223-D227 PolarHBondContact O-N 3.36Å
224F96.2Very high96.6Very high47 Ų4761 Ų6121%0.20629%0.287CS..Hα-helixtrans-55.5-40.4-176.6-179.1-90.9000113.1S221 M228 F294 T295 E298S221-F224 PolarHBondContact OG-N 3.16Å; F224-M228 WeakPolarHBondContact O-CB 3.3Å; F224-M228 PolarHBondContact O-N 3.04Å; F224-F294 AromaticContact CD2-CD2 3.88Å; F224-F294 HydrophobicContact CD2-CD2 3.88Å; F224-F294 HydrophobicContact CD2-CE2 4.01Å; F224-F294 AromaticContact CE2-CD2 3.93Å; F224-F294 HydrophobicContact CE2-CD2 3.93Å; F224-F294 AromaticContact CE2-CE2 3.87Å; F224-F294 HydrophobicContact CE2-CE2 3.87Å; F224-F294 HydrophobicContact CZ-CE2 4.36Å; F224-T295 HydrophobicContact CE2-CG2 3.84Å; F224-T295 HydrophobicContact CZ-CG2 4.01Å; F224-E298 HydrophobicContact CD2-CB 4.4Å; F224-E298 HydrophobicContact CD2-CG 3.89Å; F224-E298 HydrophobicContact CE2-CB 4.21Å; F224-E298 HydrophobicContact CE2-CG 3.89Å
225W96.9Very high96.2Very high183 Ų18364.6 Ų64.669%0.69330%0.303SS*.Hα-helixtrans-74.4-36.5-175.9-65.3112.8000112D223 M228 K229D223-W225 VanDerWaalsContact C-N 3.27Å; D223-W225 PolarHBondContact O-N 3.05Å; D223-W225 PolarHBondContact OD1-N 2.98Å; W225-M228 PolarHBondContact O-N 2.87Å; W225-K229 WeakPolarHBondContact O-CG 3.35Å; W225-K229 PolarHBondContact O-N 3.42Å
226Q97.4Very high95.8Very high86 Ų8668.5 Ų68.540%0.40232%0.319SS..Hα-helixtrans-65.1-44.7173.3-178.757.421.100111.2D223 M228 K229 I230D223-Q226 HydrophobicContact CB-CB 3.99Å; D223-Q226 VanDerWaalsContact CG-CB 3.41Å; D223-Q226 PolarHBondContact O-N 2.88Å; D223-Q226 PolarHBondContact OD1-N 3.39Å; Q226-M228 VanDerWaalsContact C-N 3.29Å; Q226-M228 PolarHBondContact O-N 2.99Å; Q226-K229 WeakPolarHBondContact O-CB 3.46Å; Q226-K229 PolarHBondContact O-N 2.88Å; Q226-K229 VanDerWaalsContact O-N 3.1Å; Q226-I230 HydrophobicContact CG-CD1 4.19Å; Q226-I230 WeakPolarHBondContact O-CG1 3.11Å; Q226-I230 PolarHBondContact O-N 3.41Å
227D97.7Very high95.4Very high25 Ų2569.3 Ų69.313%0.13433%0.328CS..Hα-helixtrans-62.6-38.5175.3-80.92.1000111.6Y219 S221 D223 K229 I230 S231 I240 F294Y219-D227 VanDerWaalsContact CE2-OD2 3.31Å; Y219-D227 WeakPolarHBondContact CE2-OD2 3.48Å; Y219-D227 PolarHBondContact OH-OD2 3.19Å; S221-D227 WeakPolarHBondContact CB-OD2 3.28Å; S221-D227 PolarHBondContact OG-OD2 3.2Å; D223-D227 PolarHBondContact O-N 3.36Å; D227-K229 VanDerWaalsContact C-N 3.32Å; D227-K229 PolarHBondContact O-N 3.49Å; D227-I230 PolarHBondContact O-N 3Å; D227-S231 WeakPolarHBondContact O-CB 3.05Å; D227-S231 PolarHBondContact O-N 2.88Å; D227-I240 HydrophobicContact CB-CD1 3.67Å; D227-I240 WeakPolarHBondContact O-CD1 3.45Å; D227-F294 HydrophobicContact CB-CD1 4.09Å; D227-F294 HydrophobicContact CB-CD2 4.17Å; D227-F294 HydrophobicContact CB-CE1 3.91Å; D227-F294 HydrophobicContact CB-CE2 4.01Å; D227-F294 HydrophobicContact CB-CG 4.22Å; D227-F294 HydrophobicContact CB-CZ 3.89Å
228M97.4Very high95.3Very high36 Ų3669.5 Ų69.518%0.17733%0.329CS..Hα-helixtrans-62.5-37.2173.9-163.964174.400112.3F224 W225 Q226 S231 R232 N291 F294F224-M228 WeakPolarHBondContact O-CB 3.3Å; F224-M228 PolarHBondContact O-N 3.04Å; W225-M228 PolarHBondContact O-N 2.87Å; Q226-M228 VanDerWaalsContact C-N 3.29Å; Q226-M228 PolarHBondContact O-N 2.99Å; M228-S231 PolarHBondContact O-OG 3.46Å; M228-R232 WeakPolarHBondContact O-CG 3.39Å; M228-R232 PolarHBondContact O-N 3.25Å; M228-N291 HydrophobicContact SD-CB 4.21Å; M228-F294 HydrophobicContact CB-CZ 4.4Å; M228-F294 HydrophobicContact SD-CE2 4.46Å; M228-F294 HydrophobicContact SD-CZ 4.1Å
229K97.5Very high95Very high139 Ų13973 Ų7360%0.60435%0.354SS*.Hα-helixtrans-66.4-45.5173.8-71.2170.5-174.4171.80111.7W225 Q226 D227 S231 R232 S233W225-K229 WeakPolarHBondContact O-CG 3.35Å; W225-K229 PolarHBondContact O-N 3.42Å; Q226-K229 WeakPolarHBondContact O-CB 3.46Å; Q226-K229 PolarHBondContact O-N 2.88Å; Q226-K229 VanDerWaalsContact O-N 3.1Å; D227-K229 VanDerWaalsContact C-N 3.32Å; D227-K229 PolarHBondContact O-N 3.49Å; K229-S231 VanDerWaalsContact C-N 3.3Å; K229-S231 PolarHBondContact O-N 2.95Å; K229-R232 PolarHBondContact O-N 2.94Å; K229-S233 PolarHBondContact O-N 2.82Å
230I96.8Very high94.9Very high36 Ų3671.4 Ų71.419%0.18535%0.348CS..Hα-helixtrans-61.5-42.2177.9-64.7165.8000110.3Q226 D227 R232 S233 I240Q226-I230 HydrophobicContact CG-CD1 4.19Å; Q226-I230 WeakPolarHBondContact O-CG1 3.11Å; Q226-I230 PolarHBondContact O-N 3.41Å; D227-I230 PolarHBondContact O-N 3Å; I230-R232 PolarHBondContact O-N 2.8Å; I230-S233 VanDerWaalsContact O-CB 3.29Å; I230-S233 WeakPolarHBondContact O-CB 3.42Å; I230-S233 PolarHBondContact O-N 2.87Å; I230-S233 PolarHBondContact O-OG 2.76Å; I230-I240 HydrophobicContact CB-CD1 3.81Å; I230-I240 HydrophobicContact CB-CG1 4.39Å; I230-I240 HydrophobicContact CG2-CD1 3.85Å; I230-I240 HydrophobicContact CG2-CG1 3.86Å
231S95.4Very high94.8Very high9 Ų972.1 Ų72.16%0.06335%0.352CS..Hα-helixtrans-62.7-25.3-18077.80000113.3D227 M228 K229 N238 N290D227-S231 WeakPolarHBondContact O-CB 3.05Å; D227-S231 PolarHBondContact O-N 2.88Å; M228-S231 PolarHBondContact O-OG 3.46Å; K229-S231 VanDerWaalsContact C-N 3.3Å; K229-S231 PolarHBondContact O-N 2.95Å; S231-N238 PolarHBondContact O-ND2 3.28Å; S231-N238 VanDerWaalsContact O-ND2 3.15Å; S231-N290 WeakPolarHBondContact CA-OD1 3.49Å; S231-N290 VanDerWaalsContact CB-OD1 3.3Å; S231-N290 WeakPolarHBondContact CB-OD1 3.11Å; S231-N290 PolarHBondContact O-ND2 2.98Å
232R95.5Very high94.7Very high186 Ų18675.2 Ų75.270%0.70236%0.363SS*.THydrogen-bonded Turntrans-87.2-9.4175.6-68172.5-178.5-179.11.6113.7M228 K229 I230M228-R232 WeakPolarHBondContact O-CG 3.39Å; M228-R232 PolarHBondContact O-N 3.25Å; K229-R232 PolarHBondContact O-N 2.94Å; I230-R232 PolarHBondContact O-N 2.8Å
233S94.2Very high94.6Very high41 Ų4172.5 Ų72.529%0.28735%0.346SS..SBendtrans-73.6167.6179.578.70000111.7K229 I230 S237 N238K229-S233 PolarHBondContact O-N 2.82Å; I230-S233 VanDerWaalsContact O-CB 3.29Å; I230-S233 WeakPolarHBondContact O-CB 3.42Å; I230-S233 PolarHBondContact O-N 2.87Å; I230-S233 PolarHBondContact O-OG 2.76Å; S233-S237 VanDerWaalsContact CB-OG 3.25Å; S233-S237 WeakPolarHBondContact CB-OG 3.34Å; S233-S237 PolarHBondContact OG-OG 2.89Å; S233-N238 WeakPolarHBondContact OG-CA 3.34Å; S233-N238 PolarHBondContact OG-N 3.44Å
234N90.9Very high94.5Very high133 Ų13368.9 Ų68.971%0.71133%0.326SS*.  trans-61.3152.8177.2-66.7-30.8000111.1K236 S237 N238N234-K236 PolarHBondContact O-N 3.32Å; N234-S237 PolarHBondContact N-OG 2.82Å; N234-S237 PolarHBondContact O-N 3.49Å; N234-S237 PolarHBondContact O-OG 2.88Å; N234-N238 WeakPolarHBondContact O-CB 3.42Å; N234-N238 PolarHBondContact O-N 3.24Å
235Q87.5Confident94.3Very high81 Ų8167.1 Ų67.138%0.37932%0.319SS..THydrogen-bonded Turntrans-49.7-39.9-176.6174.7172.6-27.200114.2S237 N238 L241 P260 N261Q235-S237 VanDerWaalsContact C-N 3.31Å; Q235-S237 PolarHBondContact O-N 3.31Å; Q235-N238 PolarHBondContact O-N 3.21Å; Q235-L241 HydrophobicContact CB-CD2 4.43Å; Q235-L241 HydrophobicContact CG-CD2 3.9Å; Q235-P260 PolarHBondContact NE2-O 2.96Å; Q235-N261 PolarHBondContact O-ND2 2.99Å
236K88.2Confident94Very high194 Ų19459.2 Ų59.284%0.84329%0.291SS*.THydrogen-bonded Turntrans-66.8-28.8179.6-67.3-174.5177.8-177.60113.9N234N234-K236 PolarHBondContact O-N 3.32Å
237S90Very high93.5Very high70 Ų7055.8 Ų55.849%0.4928%0.276SS..THydrogen-bonded Turntrans-98.8-9.817955.70000113.1S233 N234 Q235 S239S233-S237 VanDerWaalsContact CB-OG 3.25Å; S233-S237 WeakPolarHBondContact CB-OG 3.34Å; S233-S237 PolarHBondContact OG-OG 2.89Å; N234-S237 PolarHBondContact N-OG 2.82Å; N234-S237 PolarHBondContact O-N 3.49Å; N234-S237 PolarHBondContact O-OG 2.88Å; Q235-S237 VanDerWaalsContact C-N 3.31Å; Q235-S237 PolarHBondContact O-N 3.31Å; S237-S239 PolarHBondContact O-N 3.28Å
238N93.9Very high92.7Very high5 Ų557.9 Ų57.93%0.02729%0.287CS..  trans-87.592.6-176.2-173.6-12.2000110.5S231 S233 N234 Q235 I240 L241 N290S231-N238 PolarHBondContact O-ND2 3.28Å; S231-N238 VanDerWaalsContact O-ND2 3.15Å; S233-N238 WeakPolarHBondContact OG-CA 3.34Å; S233-N238 PolarHBondContact OG-N 3.44Å; N234-N238 WeakPolarHBondContact O-CB 3.42Å; N234-N238 PolarHBondContact O-N 3.24Å; Q235-N238 PolarHBondContact O-N 3.21Å; N238-I240 PolarHBondContact O-N 3.4Å; N238-I240 WeakPolarHBondContact OD1-CA 3.46Å; N238-I240 WeakPolarHBondContact OD1-CB 3.31Å; N238-I240 PolarHBondContact OD1-N 2.93Å; N238-L241 HydrophobicContact CB-CB 4.3Å; N238-L241 PolarHBondContact OD1-N 3.5Å; N238-N290 PolarHBondContact ND2-ND2 3.43Å; N238-N290 PolarHBondContact ND2-OD1 3.31Å
239S93.2Very high91.5Very high77 Ų7758.1 Ų58.154%0.53829%0.286SS..SBendtrans-70.5-12.3175.756.70000114.1S237S237-S239 PolarHBondContact O-N 3.28Å
240I95.4Very high90.5Very high4 Ų456.5 Ų56.52%0.02129%0.288CS..SBendtrans-86.6-32.9-179.5-61.1175000110.8D227 I230 N238 R242 N290 R293 F294D227-I240 HydrophobicContact CB-CD1 3.67Å; D227-I240 WeakPolarHBondContact O-CD1 3.45Å; I230-I240 HydrophobicContact CB-CD1 3.81Å; I230-I240 HydrophobicContact CB-CG1 4.39Å; I230-I240 HydrophobicContact CG2-CD1 3.85Å; I230-I240 HydrophobicContact CG2-CG1 3.86Å; N238-I240 PolarHBondContact O-N 3.4Å; N238-I240 WeakPolarHBondContact OD1-CA 3.46Å; N238-I240 WeakPolarHBondContact OD1-CB 3.31Å; N238-I240 PolarHBondContact OD1-N 2.93Å; I240-R242 PolarHBondContact O-N 3.38Å; I240-N290 VanDerWaalsContact CG2-O 3.32Å; I240-N290 WeakPolarHBondContact CG2-O 3.49Å; I240-R293 WeakPolarHBondContact O-CD 3.32Å; I240-R293 PolarHBondContact O-NH1 2.89Å; I240-F294 HydrophobicContact CD1-CD1 4.28Å; I240-F294 HydrophobicContact CD1-CE1 3.9Å; I240-F294 HydrophobicContact CG2-CD1 4.01Å; I240-F294 HydrophobicContact CG2-CE1 4.01Å
241L96.1Very high89.4Confident19 Ų1960.8 Ų60.810%0.09931%0.311CS..  trans-59.8125.4179.5-175.869.5000110.9Q235 N238 P260 N290Q235-L241 HydrophobicContact CB-CD2 4.43Å; Q235-L241 HydrophobicContact CG-CD2 3.9Å; N238-L241 HydrophobicContact CB-CB 4.3Å; N238-L241 PolarHBondContact OD1-N 3.5Å; L241-P260 HydrophobicContact CB-CG 4.43Å; L241-P260 HydrophobicContact CD2-CB 4.38Å; L241-P260 HydrophobicContact CD2-CG 3.76Å; L241-P260 HydrophobicContact CG-CG 3.91Å; L241-N290 HydrophobicContact CD1-CB 3.88Å
242R95.2Very high88.5Confident66 Ų6661.6 Ų61.625%0.24932%0.316CS..EExtended strand (participates in β ladder)trans-131.8150.3171.7-64.4-65.8172.6-179.2-10.1110.1I240 V257 D259 L289 R293I240-R242 PolarHBondContact O-N 3.38Å; R242-V257 HydrophobicContact CB-CG1 3.84Å; R242-V257 HydrophobicContact CG-CG1 4.03Å; R242-D259 IonicContact CZ-OD2 3.5Å; R242-D259 VanDerWaalsContact NH1-CB 3.28Å; R242-D259 VanDerWaalsContact NH1-CG 3.28Å; R242-D259 IonicContact NH1-OD2 3.78Å; R242-D259 PolarHBondContact NH1-OD2 3.39Å; R242-D259 IonicContact NH2-OD2 3.65Å; R242-L289 PolarHBondContact N-O 3.25Å; R242-L289 PolarHBondContact O-N 3.41Å; R242-R293 VanDerWaalsContact CG-CZ 3.49Å; R242-R293 VanDerWaalsContact CG-NH1 3.32Å
243E94.3Very high87.7Confident10 Ų1057.8 Ų57.85%0.04731%0.305CS..EExtended strand (participates in β ladder)trans-103.4132.7170.3-79.3-179.2167.200108.6V257 R258 P260 V286 L287 R288E243-V257 CarbonylContact O-C 3.51Å; E243-R258 HydrophobicContact CB-CB 4.32Å; E243-R258 PolarHBondContact N-O 3.03Å; E243-R258 PolarHBondContact O-N 3.35Å; E243-R258 IonicContact OE2-CZ 3.31Å; E243-R258 IonicContact OE2-NE 2.86Å; E243-R258 PolarHBondContact OE2-NE 2.82Å; E243-R258 VanDerWaalsContact OE2-NE 3.14Å; E243-R258 IonicContact OE2-NH2 2.84Å; E243-R258 PolarHBondContact OE2-NH2 3.42Å; E243-P260 HydrophobicContact CG-CB 4.15Å; E243-V286 HydrophobicContact CB-CG1 3.58Å; E243-V286 HydrophobicContact CG-CG1 3.77Å; E243-L287 CarbonylContact C-O 3.6Å; E243-L287 WeakPolarHBondContact CA-O 3.34Å; E243-R288 HydrophobicContact CG-CG 3.83Å; E243-R288 IonicContact OE1-CZ 3.88Å; E243-R288 IonicContact OE1-NE 3.23Å; E243-R288 PolarHBondContact OE1-NE 2.84Å; E243-R288 IonicContact OE1-NH2 2.8Å; E243-R288 PolarHBondContact OE1-NH2 2.96Å
244Y94.5Very high87.4Confident0 Ų061.4 Ų61.40%031%0.313CS..EExtended strand (participates in β ladder)trans-108.9114.5173.2-165.3-98.5000108.6C213 D216 V217 L246 G255 V257 V286 L287C213-Y244 HydrophobicContact CB-CD1 3.94Å; C213-Y244 HydrophobicContact CB-CD2 4.48Å; C213-Y244 HydrophobicContact CB-CE1 3.68Å; C213-Y244 HydrophobicContact CB-CE2 4.27Å; C213-Y244 HydrophobicContact CB-CG 4.32Å; D216-Y244 HydrophobicContact CB-CE2 3.81Å; D216-Y244 VanDerWaalsContact OD2-CE2 3.28Å; D216-Y244 WeakPolarHBondContact OD2-CE2 3.33Å; D216-Y244 PolarHBondContact OD2-OH 3.4Å; V217-Y244 HydrophobicContact CG1-CD2 3.66Å; V217-Y244 HydrophobicContact CG1-CE2 4.31Å; V217-Y244 HydrophobicContact CG1-CG 4.46Å; Y244-L246 HydrophobicContact CD1-CD2 3.94Å; Y244-L246 HydrophobicContact CE1-CD2 4.2Å; Y244-L246 PolarHBondContact O-N 3.38Å; Y244-G255 PolarHBondContact OH-O 3.21Å; Y244-V257 HydrophobicContact CD2-CG2 4.07Å; Y244-V257 HydrophobicContact CE2-CG2 4.24Å; Y244-V286 WeakPolarHBondContact O-CA 3.45Å; Y244-L287 PolarHBondContact N-O 3.22Å; Y244-L287 PolarHBondContact O-N 3.24Å
245V92.2Very high87.4Confident9 Ų955.1 Ų55.16%0.05528%0.279CS..EExtended strand (participates in β ladder)trans-80.6115.2177.6-176.90000107.5G255 Y256 R258 V286V245-G255 WeakPolarHBondContact O-CA 3.28Å; V245-Y256 HydrophobicContact CB-CD1 4.17Å; V245-Y256 HydrophobicContact CB-CE1 3.77Å; V245-Y256 HydrophobicContact CB-CE2 4.25Å; V245-Y256 HydrophobicContact CG1-CE1 3.86Å; V245-Y256 HydrophobicContact CG2-CD2 4.47Å; V245-Y256 HydrophobicContact CG2-CE1 4.23Å; V245-Y256 HydrophobicContact CG2-CE2 3.87Å; V245-Y256 PolarHBondContact N-O 3.18Å; V245-Y256 PolarHBondContact O-N 3.48Å; V245-R258 HydrophobicContact CG2-CB 4.5Å; V245-V286 HydrophobicContact CG2-CG2 4.28Å
246L90.4Very high87.7Confident18 Ų1856.1 Ų56.19%0.09428%0.28CS..  trans-71.9149177.6-65.8173.7000110.7L201 I209 Y244 N248 Y285 L287L201-L246 HydrophobicContact CD2-CD1 3.86Å; I209-L246 HydrophobicContact CG2-CD2 3.65Å; Y244-L246 HydrophobicContact CD1-CD2 3.94Å; Y244-L246 HydrophobicContact CE1-CD2 4.2Å; Y244-L246 PolarHBondContact O-N 3.38Å; L246-N248 PolarHBondContact O-N 3.34Å; L246-Y285 VanDerWaalsContact CB-O 3.22Å; L246-Y285 WeakPolarHBondContact CB-O 3.27Å; L246-Y285 WeakPolarHBondContact CG-O 3.49Å; L246-Y285 PolarHBondContact N-O 3.3Å; L246-L287 HydrophobicContact CD1-CD1 4.14Å; L246-L287 HydrophobicContact CD1-CD2 3.98Å; L246-L287 HydrophobicContact CD1-CG 3.84Å; L246-L287 HydrophobicContact CD2-CD1 3.78Å; L246-L287 HydrophobicContact CD2-CG 4.15Å; L246-L287 HydrophobicContact CG-CD1 4.18Å; L246-L287 HydrophobicContact CG-CG 3.98Å
247P87.2Confident87.9Confident13 Ų1349.6 Ų49.68%0.08426%0.257CS..  trans-62.7134.9175.427.9-34.7000110.9I209 Y249 V252 H253I209-P247 HydrophobicContact CD1-CG 3.92Å; I209-P247 HydrophobicContact CG1-CG 4.25Å; I209-P247 HydrophobicContact CG2-CG 4.17Å; P247-Y249 HydrophobicContact CB-CD1 4.35Å; P247-Y249 HydrophobicContact CB-CE1 3.86Å; P247-Y249 HydrophobicContact CG-CE1 4.05Å; P247-V252 CarbonylContact C-O 3.24Å; P247-V252 WeakPolarHBondContact CA-O 3.42Å; P247-V252 VanDerWaalsContact CB-O 3.24Å; P247-V252 WeakPolarHBondContact CB-O 3.28Å; P247-H253 WeakPolarHBondContact CB-O 3.2Å
248N80.1Confident88Confident69 Ų6949.9 Ų49.937%0.36925%0.247SC..  trans-103-5.4174.671-1.2000112.6L246 V250 D251 V252L246-N248 PolarHBondContact O-N 3.34Å; N248-V250 PolarHBondContact O-N 2.93Å; N248-V250 VanDerWaalsContact O-N 3.15Å; N248-V250 PolarHBondContact OD1-N 3.38Å; N248-D251 PolarHBondContact OD1-N 3.01Å; N248-V252 PolarHBondContact N-O 3.01Å; N248-V252 PolarHBondContact OD1-N 3.11Å; N248-V252 PolarHBondContact OD1-O 3.35Å
249Y74Confident87.9Confident42 Ų4251.9 Ų51.917%0.16526%0.258CS..SBendtrans60.418179.7-50-63.3000115.1N52 N53 L54 S55 I209 P247 V252N52-Y249 VanDerWaalsContact O-CB 3.23Å; N52-Y249 WeakPolarHBondContact O-CB 3.47Å; N52-Y249 WeakPolarHBondContact O-CD1 3.48Å; N53-Y249 HydrophobicContact CB-CD2 4.45Å; N53-Y249 HydrophobicContact CB-CG 4.38Å; N53-Y249 WeakPolarHBondContact OD1-CD2 3.38Å; N53-Y249 WeakPolarHBondContact OD1-CE2 3.34Å; L54-Y249 VanDerWaalsContact C-OH 3.27Å; L54-Y249 WeakPolarHBondContact CA-OH 3.41Å; L54-Y249 HydrophobicContact CB-CE1 3.58Å; L54-Y249 VanDerWaalsContact CB-OH 3.28Å; L54-Y249 WeakPolarHBondContact CB-OH 3.43Å; L54-Y249 HydrophobicContact CD1-CE1 4.03Å; L54-Y249 HydrophobicContact CG-CE1 3.7Å; S55-Y249 PolarHBondContact N-OH 3.34Å; I209-Y249 WeakPolarHBondContact CD1-OH 3.17Å; P247-Y249 HydrophobicContact CB-CD1 4.35Å; P247-Y249 HydrophobicContact CB-CE1 3.86Å; P247-Y249 HydrophobicContact CG-CE1 4.05Å; Y249-V252 PolarHBondContact N-O 3.37Å
250V74.6Confident87.6Confident105 Ų10549.3 Ų49.364%0.63624%0.239SC*.SBendtrans-113.5-60.3173.5-179.40000108.3N248 H253N248-V250 PolarHBondContact O-N 2.93Å; N248-V250 VanDerWaalsContact O-N 3.15Å; N248-V250 PolarHBondContact OD1-N 3.38Å; V250-H253 PolarHBondContact O-CE1 3.03Å
251D73.6Confident87.1Confident126 Ų12652 Ų5267%0.67425%0.254SS*.SBendtrans-111.5-36.1179-51.5-55.3000110.9N248N248-D251 PolarHBondContact OD1-N 3.01Å
252V77.2Confident86.4Confident26 Ų2655.7 Ų55.716%0.15828%0.277CS..  trans-107.8105.2-176.9-1730000108.8P247 N248 Y249 R254 Y256P247-V252 CarbonylContact C-O 3.24Å; P247-V252 WeakPolarHBondContact CA-O 3.42Å; P247-V252 VanDerWaalsContact CB-O 3.24Å; P247-V252 WeakPolarHBondContact CB-O 3.28Å; N248-V252 PolarHBondContact N-O 3.01Å; N248-V252 PolarHBondContact OD1-N 3.11Å; N248-V252 PolarHBondContact OD1-O 3.35Å; Y249-V252 PolarHBondContact N-O 3.37Å; V252-R254 VanDerWaalsContact CG1-O 3.23Å; V252-R254 WeakPolarHBondContact CG1-O 3.45Å; V252-Y256 HydrophobicContact CG1-CD1 3.97Å; V252-Y256 HydrophobicContact CG1-CE1 3.91Å; V252-Y256 HydrophobicContact CG2-CE1 4.06Å
253H79.6Confident84.8Confident105 Ų10558.2 Ų58.249%0.48630%0.3SS..SBendtrans-93.5-30.7-178.4-66.475000112.7P247 V250P247-H253 WeakPolarHBondContact CB-O 3.2Å; V250-H253 PolarHBondContact O-CE1 3.03Å
254R87.9Confident82.9Confident117 Ų11762.7 Ų62.744%0.44233%0.327SS..SBendtrans-123136.5170.7-173.7-168.2-179.6-74.64.5108.2D216 V252D216-R254 IonicContact OD1-CZ 2.74Å; D216-R254 IonicContact OD1-NH1 3.73Å; D216-R254 PolarHBondContact OD1-NH1 3.28Å; D216-R254 IonicContact OD1-NH2 3.7Å; D216-R254 PolarHBondContact OD1-NH2 3.39Å; D216-R254 IonicContact OD2-CZ 3.47Å; D216-R254 IonicContact OD2-NH1 2.71Å; D216-R254 PolarHBondContact OD2-NH1 2.91Å; D216-R254 IonicContact OD2-NH2 3.43Å; D216-R254 PolarHBondContact OD2-NH2 2.97Å; V252-R254 VanDerWaalsContact CG1-O 3.23Å; V252-R254 WeakPolarHBondContact CG1-O 3.45Å
255G89.7Confident80.5Confident1 Ų167.3 Ų67.31%0.0136%0.359CS..  trans-62.8160.3176.300000112.6Y244 V245Y244-G255 PolarHBondContact OH-O 3.21Å; V245-G255 WeakPolarHBondContact O-CA 3.28Å
256Y93.5Very high77.9Confident102 Ų10274.5 Ų74.540%0.439%0.392SS..EExtended strand (participates in β ladder)trans-148.4157.517965.6-87.7000112.1V245 V252V245-Y256 HydrophobicContact CB-CD1 4.17Å; V245-Y256 HydrophobicContact CB-CE1 3.77Å; V245-Y256 HydrophobicContact CB-CE2 4.25Å; V245-Y256 HydrophobicContact CG1-CE1 3.86Å; V245-Y256 HydrophobicContact CG2-CD2 4.47Å; V245-Y256 HydrophobicContact CG2-CE1 4.23Å; V245-Y256 HydrophobicContact CG2-CE2 3.87Å; V245-Y256 PolarHBondContact N-O 3.18Å; V245-Y256 PolarHBondContact O-N 3.48Å; V252-Y256 HydrophobicContact CG1-CD1 3.97Å; V252-Y256 HydrophobicContact CG1-CE1 3.91Å; V252-Y256 HydrophobicContact CG2-CE1 4.06Å
257V94.1Very high75.4Confident57 Ų5780.9 Ų80.935%0.34543%0.427SS..EExtended strand (participates in β ladder)trans-86.8134.7-179.4-164.90000110.3D216 V217 R242 E243 Y244D216-V257 HydrophobicContact CB-CG2 3.8Å; V217-V257 HydrophobicContact CG1-CG1 4.26Å; V217-V257 HydrophobicContact CG1-CG2 3.67Å; R242-V257 HydrophobicContact CB-CG1 3.84Å; R242-V257 HydrophobicContact CG-CG1 4.03Å; E243-V257 CarbonylContact O-C 3.51Å; Y244-V257 HydrophobicContact CD2-CG2 4.07Å; Y244-V257 HydrophobicContact CE2-CG2 4.24Å
258R92Very high73.3Confident77 Ų7785.2 Ų85.229%0.29146%0.457SS..EExtended strand (participates in β ladder)trans-123.2141.4173.9-175.2174.474.7-174.92.6110.1E243 V245E243-R258 HydrophobicContact CB-CB 4.32Å; E243-R258 PolarHBondContact N-O 3.03Å; E243-R258 PolarHBondContact O-N 3.35Å; E243-R258 IonicContact OE2-CZ 3.31Å; E243-R258 IonicContact OE2-NE 2.86Å; E243-R258 PolarHBondContact OE2-NE 2.82Å; E243-R258 VanDerWaalsContact OE2-NE 3.14Å; E243-R258 IonicContact OE2-NH2 2.84Å; E243-R258 PolarHBondContact OE2-NH2 3.42Å; V245-R258 HydrophobicContact CG2-CB 4.5Å
259D90.6Very high71.2Confident47 Ų4784.5 Ų84.525%0.25146%0.458SS..  trans-80.7122.4167-164.7-46.1000109.5R242 N261 T262R242-D259 IonicContact CZ-OD2 3.5Å; R242-D259 VanDerWaalsContact NH1-CB 3.28Å; R242-D259 VanDerWaalsContact NH1-CG 3.28Å; R242-D259 IonicContact NH1-OD2 3.78Å; R242-D259 PolarHBondContact NH1-OD2 3.39Å; R242-D259 IonicContact NH2-OD2 3.65Å; D259-N261 PolarHBondContact O-N 3.13Å; D259-N261 WeakPolarHBondContact OD1-CB 3.22Å; D259-N261 PolarHBondContact OD1-N 3.05Å; D259-T262 WeakPolarHBondContact CB-OG1 3.29Å; D259-T262 PolarHBondContact O-N 3.01Å
260P87.1Confident69.5Low22 Ų2290.8 Ų90.814%0.14349%0.494CS..THydrogen-bonded Turntrans-66.4-14.8179.429.5-37.6000113.5Q235 L241 E243Q235-P260 PolarHBondContact NE2-O 2.96Å; L241-P260 HydrophobicContact CB-CG 4.43Å; L241-P260 HydrophobicContact CD2-CB 4.38Å; L241-P260 HydrophobicContact CD2-CG 3.76Å; L241-P260 HydrophobicContact CG-CG 3.91Å; E243-P260 HydrophobicContact CG-CB 4.15Å
261N84.6Confident67.9Low62 Ų6290.7 Ų90.733%0.33249%0.49SS..THydrogen-bonded Turntrans-94.9-6.6177.8-64.5-45.2000113.3Q235 D259 V263Q235-N261 PolarHBondContact O-ND2 2.99Å; D259-N261 PolarHBondContact O-N 3.13Å; D259-N261 WeakPolarHBondContact OD1-CB 3.22Å; D259-N261 PolarHBondContact OD1-N 3.05Å; N261-V263 PolarHBondContact O-N 3.18Å
262T81.7Confident66.4Low95 Ų9593.2 Ų93.258%0.58350%0.495SS*.  trans-67.2105.4170.5-55.80000108.4D259 V264D259-T262 WeakPolarHBondContact CB-OG1 3.29Å; D259-T262 PolarHBondContact O-N 3.01Å; T262-V264 PolarHBondContact O-N 3.14Å; T262-V264 VanDerWaalsContact O-N 3.16Å
263V61.2Low64.8Low120 Ų12095.8 Ų95.873%0.72751%0.514SS*.  trans-59.2118.5169.3-175.30000106.6N261 S265N261-V263 PolarHBondContact O-N 3.18Å; V263-S265 VanDerWaalsContact C-N 3.32Å; V263-S265 PolarHBondContact O-N 2.88Å
264V55.2Low62.9Low103 Ų10395.7 Ų95.762%0.62451%0.514SS*.  trans-62.3103.3166.7-175.20000105.2T262 E266T262-V264 PolarHBondContact O-N 3.14Å; T262-V264 VanDerWaalsContact O-N 3.16Å; V264-E266 PolarHBondContact O-N 3.46Å
265S43.2Very low60.1Low97 Ų9795.9 Ų95.968%0.67852%0.52SS*.  trans-60.6100.7173.6-67.60000108.1V263 N267V263-S265 VanDerWaalsContact C-N 3.32Å; V263-S265 PolarHBondContact O-N 2.88Å; S265-N267 PolarHBondContact O-N 3.46Å
266E39Very low57.6Low160 Ų160105 Ų10575%0.74855%0.554SS**THydrogen-bonded Turntrans-66.45.3172-69.6-172.7154.700113.1V264V264-E266 PolarHBondContact O-N 3.46Å
267N37.7Very low55.1Low153 Ų153102.8 Ų102.882%0.81856%0.557SS**THydrogen-bonded Turntrans-108.727.7-168.9-74.3-9.4000115.1S265S265-N267 PolarHBondContact O-N 3.46Å
268S43.2Very low52.7Low104 Ų104101.8 Ų101.873%0.72755%0.552SS**SBendtrans-142.747.9173.2-62.20000114.6
269S36.6Very low50.1Low54 Ų54102.6 Ų102.638%0.37856%0.563SS.*  178.9144.5125.6810000109.3D271 E274S269-D271 PolarHBondContact O-N 3.36Å; S269-D271 VanDerWaalsContact O-N 3.14Å; S269-E274 PolarHBondContact OG-OE1 3.3Å; S269-E274 PolarHBondContact OG-OE2 3.41Å
270N38.2Very low47.8Very low174 Ų174105 Ų10593%0.9358%0.575SS**  trans-78.920.6178-95.8-24.4000113K272N270-K272 PolarHBondContact O-N 2.9Å
271D41Very low45.8Very low102 Ų102106.7 Ų106.755%0.54559%0.587SS.*  trans-87.4113.8-178.1-94.4-25.5000111.1S269 S273 E274S269-D271 PolarHBondContact O-N 3.36Å; S269-D271 VanDerWaalsContact O-N 3.14Å; D271-S273 PolarHBondContact O-N 3.29Å; D271-E274 PolarHBondContact O-N 3.28Å
272K40.8Very low43.8Very low179 Ų179110.9 Ų110.978%0.77861%0.605SS**Hα-helixtrans-56.5-16.2176.8-69.5-178.4177.5178.20113.3N270 R276N270-K272 PolarHBondContact O-N 2.9Å; K272-R276 PolarHBondContact O-N 3.21Å
273S43.9Very low42.2Very low81 Ų81113.9 Ų113.957%0.56661%0.612SS**Hα-helixtrans-69.1-36.917040.30000112.5D271 R276 A277D271-S273 PolarHBondContact O-N 3.29Å; S273-R276 PolarHBondContact O-N 2.78Å; S273-A277 PolarHBondContact O-N 3.14Å; S273-A277 VanDerWaalsContact O-N 3.07Å
274E39.9Very low42.2Very low103 Ų103109 Ų10948%0.48159%0.587SS.*Hα-helixtrans-74.6-35.7179.7-71.9-170.7174.700112.7S269 D271 R276 A277 S278S269-E274 PolarHBondContact OG-OE1 3.3Å; S269-E274 PolarHBondContact OG-OE2 3.41Å; D271-E274 PolarHBondContact O-N 3.28Å; E274-R276 VanDerWaalsContact C-N 3.26Å; E274-R276 PolarHBondContact O-N 3.07Å; E274-A277 CarbonylContact O-C 3.6Å; E274-A277 PolarHBondContact O-N 3.47Å; E274-S278 PolarHBondContact O-N 2.95Å; E274-S278 PolarHBondContact O-OG 3.19Å
275Q29.1Very low43.5Very low120 Ų120112 Ų11256%0.56159%0.588SS**Hα-helixtrans-65.4-29.5172-85.1-176.6-14.200112.9S278 N279Q275-S278 WeakPolarHBondContact CA-OG 3.42Å; Q275-S278 PolarHBondContact O-OG 3.22Å; Q275-S278 VanDerWaalsContact O-OG 3.09Å; Q275-N279 WeakPolarHBondContact O-CB 3.29Å; Q275-N279 PolarHBondContact O-N 3.21Å; Q275-N279 PolarHBondContact O-ND2 3.46Å
276R37.5Very low45.7Very low192 Ų192109.5 Ų109.573%0.72557%0.568SS**Hα-helixtrans-73.4-40.3172.6-125.8176.5-177.8-178.3-0.3110.5K272 S273 E274 L280K272-R276 PolarHBondContact O-N 3.21Å; S273-R276 PolarHBondContact O-N 2.78Å; E274-R276 VanDerWaalsContact C-N 3.26Å; E274-R276 PolarHBondContact O-N 3.07Å; R276-L280 VanDerWaalsContact O-CB 3.26Å; R276-L280 WeakPolarHBondContact O-CB 3.1Å; R276-L280 VanDerWaalsContact O-CD1 3.3Å; R276-L280 WeakPolarHBondContact O-CD1 3.42Å; R276-L280 VanDerWaalsContact O-CG 3.27Å; R276-L280 WeakPolarHBondContact O-CG 3.5Å; R276-L280 PolarHBondContact O-N 2.96Å
277A41.6Very low48.2Very low56 Ų56101.9 Ų101.946%0.46353%0.533SS..Hα-helixtrans-65.1-38.4174.900000112.8S273 E274 L280 S281S273-A277 PolarHBondContact O-N 3.14Å; S273-A277 VanDerWaalsContact O-N 3.07Å; E274-A277 CarbonylContact O-C 3.6Å; E274-A277 PolarHBondContact O-N 3.47Å; A277-L280 PolarHBondContact O-N 3.23Å; A277-S281 VanDerWaalsContact O-CB 3.31Å; A277-S281 WeakPolarHBondContact O-CB 3.37Å; A277-S281 PolarHBondContact O-N 3.04Å; A277-S281 PolarHBondContact O-OG 3.46Å
278S42.2Very low50.9Low36 Ų36100.1 Ų100.125%0.25252%0.515SS..Hα-helixtrans-67.9-42.9176.469.70000111.8E274 Q275 S281 Q282E274-S278 PolarHBondContact O-N 2.95Å; E274-S278 PolarHBondContact O-OG 3.19Å; Q275-S278 WeakPolarHBondContact CA-OG 3.42Å; Q275-S278 PolarHBondContact O-OG 3.22Å; Q275-S278 VanDerWaalsContact O-OG 3.09Å; S278-S281 WeakPolarHBondContact CA-OG 3.47Å; S278-S281 PolarHBondContact O-N 2.98Å; S278-S281 PolarHBondContact O-OG 3.24Å; S278-Q282 PolarHBondContact O-N 2.74Å
279N38.7Very low53.3Low94 Ų9495.1 Ų95.150%0.50348%0.48SS..Hα-helixtrans-70.2-33.8175.2-72.1-35.1000113.2Q275 Q282Q275-N279 WeakPolarHBondContact O-CB 3.29Å; Q275-N279 PolarHBondContact O-N 3.21Å; Q275-N279 PolarHBondContact O-ND2 3.46Å; N279-Q282 WeakPolarHBondContact O-CB 3.47Å; N279-Q282 PolarHBondContact O-N 3Å
280L41.6Very low56.1Low99 Ų9994.2 Ų94.252%0.51847%0.471SS..Hα-helixtrans-68-35.5171-79.7157.8000111.6R276 A277 Q282 Q283R276-L280 VanDerWaalsContact O-CB 3.26Å; R276-L280 WeakPolarHBondContact O-CB 3.1Å; R276-L280 VanDerWaalsContact O-CD1 3.3Å; R276-L280 WeakPolarHBondContact O-CD1 3.42Å; R276-L280 VanDerWaalsContact O-CG 3.27Å; R276-L280 WeakPolarHBondContact O-CG 3.5Å; R276-L280 PolarHBondContact O-N 2.96Å; A277-L280 PolarHBondContact O-N 3.23Å; L280-Q282 PolarHBondContact O-N 3.49Å; L280-Q283 PolarHBondContact O-N 3Å; L280-Q283 VanDerWaalsContact O-N 3.07Å
281S44.9Very low58.9Low56 Ų5687.3 Ų87.339%0.39243%0.434SS..Hα-helixtrans-68.3-20.7174.176.50000113.5A277 S278 Q283 G284A277-S281 VanDerWaalsContact O-CB 3.31Å; A277-S281 WeakPolarHBondContact O-CB 3.37Å; A277-S281 PolarHBondContact O-N 3.04Å; A277-S281 PolarHBondContact O-OG 3.46Å; S278-S281 WeakPolarHBondContact CA-OG 3.47Å; S278-S281 PolarHBondContact O-N 2.98Å; S278-S281 PolarHBondContact O-OG 3.24Å; S281-Q283 VanDerWaalsContact C-N 3.34Å; S281-G284 PolarHBondContact O-N 3.39Å
282Q42.8Very low61.5Low150 Ų15082.8 Ų82.870%0.70141%0.409SS*.THydrogen-bonded Turntrans-76.2-18.6170.3-71-179.71.200113.4S278 N279 L280 G284S278-Q282 PolarHBondContact O-N 2.74Å; N279-Q282 WeakPolarHBondContact O-CB 3.47Å; N279-Q282 PolarHBondContact O-N 3Å; L280-Q282 PolarHBondContact O-N 3.49Å; Q282-G284 VanDerWaalsContact C-N 3.33Å
283Q49.2Very low64.2Low158 Ų15875.9 Ų75.974%0.73838%0.379SS*.THydrogen-bonded Turntrans-85.5-4.3172.1-74.1179.8-18.500113.2L280 S281L280-Q283 PolarHBondContact O-N 3Å; L280-Q283 VanDerWaalsContact O-N 3.07Å; S281-Q283 VanDerWaalsContact C-N 3.34Å
284G60.7Low66.8Low19 Ų1972 Ų7220%0.19635%0.352CS..SBendtrans-63.8140.7172.900000111.4S281 Q282 V286S281-G284 PolarHBondContact O-N 3.39Å; Q282-G284 VanDerWaalsContact C-N 3.33Å; G284-V286 PolarHBondContact O-N 3.31Å
285Y81.2Confident69.5Low164 Ų16468.6 Ų68.664%0.64334%0.338SS*.  trans-67.2106.2171.6-64.9-79.8000109L201 L246L201-Y285 HydrophobicContact CD1-CD1 4.15Å; L201-Y285 HydrophobicContact CD1-CE1 4.3Å; L201-Y285 HydrophobicContact CD2-CD1 3.81Å; L201-Y285 HydrophobicContact CD2-CG 4.07Å; L246-Y285 VanDerWaalsContact CB-O 3.22Å; L246-Y285 WeakPolarHBondContact CB-O 3.27Å; L246-Y285 WeakPolarHBondContact CG-O 3.49Å; L246-Y285 PolarHBondContact N-O 3.3Å
286V89.6Confident72.7Confident45 Ų4563 Ų6327%0.27331%0.312SS..EExtended strand (participates in β ladder)trans-103.5126.5178.3179.70000109.4E243 Y244 V245 G284E243-V286 HydrophobicContact CB-CG1 3.58Å; E243-V286 HydrophobicContact CG-CG1 3.77Å; Y244-V286 WeakPolarHBondContact O-CA 3.45Å; V245-V286 HydrophobicContact CG2-CG2 4.28Å; G284-V286 PolarHBondContact O-N 3.31Å
287L92.8Very high75.6Confident1 Ų153.9 Ų53.91%0.00528%0.277CS..EExtended strand (participates in β ladder)trans-91.2127.5171.8-56.9-179.4000109.7V196 H200 L201 V203 M210 E243 Y244 L246 L289V196-L287 HydrophobicContact CG1-CD1 3.89Å; V196-L287 HydrophobicContact CG1-CD2 3.69Å; V196-L287 HydrophobicContact CG1-CG 4.3Å; H200-L287 HydrophobicContact CB-CD2 4.45Å; L201-L287 HydrophobicContact CB-CD2 4.06Å; L201-L287 HydrophobicContact CD2-CD2 4.39Å; V203-L287 HydrophobicContact CG1-CD2 4.43Å; M210-L287 HydrophobicContact CE-CD1 4.1Å; M210-L287 HydrophobicContact SD-CD1 3.72Å; E243-L287 CarbonylContact C-O 3.6Å; E243-L287 WeakPolarHBondContact CA-O 3.34Å; Y244-L287 PolarHBondContact N-O 3.22Å; Y244-L287 PolarHBondContact O-N 3.24Å; L246-L287 HydrophobicContact CD1-CD1 4.14Å; L246-L287 HydrophobicContact CD1-CD2 3.98Å; L246-L287 HydrophobicContact CD1-CG 3.84Å; L246-L287 HydrophobicContact CD2-CD1 3.78Å; L246-L287 HydrophobicContact CD2-CG 4.15Å; L246-L287 HydrophobicContact CG-CD1 4.18Å; L246-L287 HydrophobicContact CG-CG 3.98Å; L287-L289 HydrophobicContact CB-CG 4.49Å
288R92.8Very high78.2Confident115 Ų11551.5 Ų51.543%0.43426%0.257SS..EExtended strand (participates in β ladder)trans-90.8117.5170.6-77.8179.4170-169.7-2.9109.2H200 E243H200-R288 PolarHBondContact CE1-O 2.71Å; H200-R288 PolarHBondContact NE2-O 3.31Å; E243-R288 HydrophobicContact CG-CG 3.83Å; E243-R288 IonicContact OE1-CZ 3.88Å; E243-R288 IonicContact OE1-NE 3.23Å; E243-R288 PolarHBondContact OE1-NE 2.84Å; E243-R288 IonicContact OE1-NH2 2.8Å; E243-R288 PolarHBondContact OE1-NH2 2.96Å
289L95.3Very high80.8Confident0 Ų050.2 Ų50.20%025%0.247CC..EExtended strand (participates in β ladder)trans-117124.2-178.6-62.9172.2000109L192 V196 C213 V217 R242 L287 E292 R293L192-L289 HydrophobicContact CD1-CD2 4.14Å; V196-L289 HydrophobicContact CG2-CD2 3.57Å; C213-L289 WeakPolarHBondContact SG-CD1 3.39Å; V217-L289 HydrophobicContact CB-CD1 4.17Å; V217-L289 HydrophobicContact CG1-CD1 4.12Å; V217-L289 HydrophobicContact CG2-CD1 3.48Å; V217-L289 VanDerWaalsContact CG2-CD1 3.48Å; R242-L289 PolarHBondContact N-O 3.25Å; R242-L289 PolarHBondContact O-N 3.41Å; L287-L289 HydrophobicContact CB-CG 4.49Å; L289-E292 HydrophobicContact CD2-CB 4.29Å; L289-R293 HydrophobicContact CB-CG 3.94Å
290N95.4Very high83.6Confident35 Ų3545.8 Ų45.819%0.18722%0.223CC..SBendtrans-127.3-99.4-175.6-170.110.7000108.5S231 N238 I240 L241 E292 R293S231-N290 WeakPolarHBondContact CA-OD1 3.49Å; S231-N290 VanDerWaalsContact CB-OD1 3.3Å; S231-N290 WeakPolarHBondContact CB-OD1 3.11Å; S231-N290 PolarHBondContact O-ND2 2.98Å; N238-N290 PolarHBondContact ND2-ND2 3.43Å; N238-N290 PolarHBondContact ND2-OD1 3.31Å; I240-N290 VanDerWaalsContact CG2-O 3.32Å; I240-N290 WeakPolarHBondContact CG2-O 3.49Å; L241-N290 HydrophobicContact CD1-CB 3.88Å; N290-E292 PolarHBondContact N-OE2 2.92Å; N290-E292 PolarHBondContact O-N 3.45Å; N290-R293 WeakPolarHBondContact O-CB 3.38Å; N290-R293 WeakPolarHBondContact O-CG 3.4Å; N290-R293 PolarHBondContact O-N 3.33Å
291N96.2Very high86.3Confident29 Ų2941.2 Ų41.216%0.15520%0.199CC..THydrogen-bonded Turntrans-68.6-21.3-178.573.9-36.1000113.1R199 M228 R293 F294 T295R199-N291 PolarHBondContact NH1-OD1 2.69Å; M228-N291 HydrophobicContact SD-CB 4.21Å; N291-R293 PolarHBondContact O-N 3.1Å; N291-F294 HydrophobicContact CB-CE1 3.96Å; N291-F294 HydrophobicContact CB-CZ 3.85Å; N291-F294 PolarHBondContact O-N 2.79Å; N291-T295 VanDerWaalsContact C-OG1 3.32Å; N291-T295 HydrophobicContact CB-CG2 4.22Å; N291-T295 VanDerWaalsContact O-CB 3.28Å; N291-T295 WeakPolarHBondContact O-CB 3.15Å; N291-T295 WeakPolarHBondContact O-CG2 3.27Å; N291-T295 PolarHBondContact O-N 3.23Å; N291-T295 PolarHBondContact O-OG1 2.95Å
292E96.1Very high88.7Confident6 Ų642.1 Ų42.13%0.02820%0.197CC..Hα-helixtrans-55.8-31.3173.5-58.385174.600112.2L192 A195 R199 L289 N290 F294 T295 V296L192-E292 HydrophobicContact CD1-CB 3.94Å; A195-E292 HydrophobicContact CB-CG 3.89Å; R199-E292 IonicContact CZ-OE1 3.33Å; R199-E292 IonicContact NH1-OE1 2.92Å; R199-E292 PolarHBondContact NH1-OE1 3.46Å; L289-E292 HydrophobicContact CD2-CB 4.29Å; N290-E292 PolarHBondContact N-OE2 2.92Å; N290-E292 PolarHBondContact O-N 3.45Å; E292-F294 VanDerWaalsContact C-N 3.28Å; E292-F294 PolarHBondContact O-N 3.23Å; E292-T295 WeakPolarHBondContact CA-OG1 3.39Å; E292-V296 HydrophobicContact CB-CG2 4.44Å; E292-V296 VanDerWaalsContact O-CB 3.31Å; E292-V296 WeakPolarHBondContact O-CB 3.06Å; E292-V296 VanDerWaalsContact O-CG2 3.3Å; E292-V296 WeakPolarHBondContact O-CG2 3.45Å; E292-V296 PolarHBondContact O-N 3.02Å
293R97.4Very high91.2Very high34 Ų3435 Ų3513%0.12816%0.164CC..Hα-helixtrans-61-34.8-176.4-63.1-178.766.7-143-9.8113.1V217 C218 Y219 I240 R242 L289 N290 N291 P297V217-R293 HydrophobicContact CB-CG 4.45Å; V217-R293 HydrophobicContact CG2-CG 4.45Å; V217-R293 VanDerWaalsContact O-CZ 3.31Å; V217-R293 PolarHBondContact O-NE 3.09Å; V217-R293 PolarHBondContact O-NH2 3.29Å; C218-R293 CarbonylContact C-O 3.6Å; C218-R293 WeakPolarHBondContact CA-O 3.43Å; C218-R293 WeakPolarHBondContact CB-O 2.81Å; Y219-R293 HydrophobicContact CD1-CB 4.11Å; Y219-R293 HydrophobicContact CE1-CB 3.83Å; Y219-R293 PolarHBondContact N-O 3.35Å; I240-R293 WeakPolarHBondContact O-CD 3.32Å; I240-R293 PolarHBondContact O-NH1 2.89Å; R242-R293 VanDerWaalsContact CG-CZ 3.49Å; R242-R293 VanDerWaalsContact CG-NH1 3.32Å; L289-R293 HydrophobicContact CB-CG 3.94Å; N290-R293 WeakPolarHBondContact O-CB 3.38Å; N290-R293 WeakPolarHBondContact O-CG 3.4Å; N290-R293 PolarHBondContact O-N 3.33Å; N291-R293 PolarHBondContact O-N 3.1Å; R293-P297 WeakPolarHBondContact O-CD 3.23Å
294F97.7Very high93.3Very high0 Ų030.4 Ų30.40%015%0.149CC..Hα-helixtrans-113.2-28.4179.364.3-92.2000113.7Y219 F224 D227 M228 I240 N291 E292 V296 E298Y219-F294 HydrophobicContact CD2-CB 4.48Å; Y219-F294 HydrophobicContact CE1-CB 4.27Å; Y219-F294 HydrophobicContact CE2-CB 3.94Å; Y219-F294 WeakPolarHBondContact O-CA 3.32Å; Y219-F294 WeakPolarHBondContact OH-CD1 3.29Å; F224-F294 AromaticContact CD2-CD2 3.88Å; F224-F294 HydrophobicContact CD2-CD2 3.88Å; F224-F294 HydrophobicContact CD2-CE2 4.01Å; F224-F294 AromaticContact CE2-CD2 3.93Å; F224-F294 HydrophobicContact CE2-CD2 3.93Å; F224-F294 AromaticContact CE2-CE2 3.87Å; F224-F294 HydrophobicContact CE2-CE2 3.87Å; F224-F294 HydrophobicContact CZ-CE2 4.36Å; D227-F294 HydrophobicContact CB-CD1 4.09Å; D227-F294 HydrophobicContact CB-CD2 4.17Å; D227-F294 HydrophobicContact CB-CE1 3.91Å; D227-F294 HydrophobicContact CB-CE2 4.01Å; D227-F294 HydrophobicContact CB-CG 4.22Å; D227-F294 HydrophobicContact CB-CZ 3.89Å; M228-F294 HydrophobicContact CB-CZ 4.4Å; M228-F294 HydrophobicContact SD-CE2 4.46Å; M228-F294 HydrophobicContact SD-CZ 4.1Å; I240-F294 HydrophobicContact CD1-CD1 4.28Å; I240-F294 HydrophobicContact CD1-CE1 3.9Å; I240-F294 HydrophobicContact CG2-CD1 4.01Å; I240-F294 HydrophobicContact CG2-CE1 4.01Å; N291-F294 HydrophobicContact CB-CE1 3.96Å; N291-F294 HydrophobicContact CB-CZ 3.85Å; N291-F294 PolarHBondContact O-N 2.79Å; E292-F294 VanDerWaalsContact C-N 3.28Å; E292-F294 PolarHBondContact O-N 3.23Å; F294-V296 VanDerWaalsContact C-N 3.33Å; F294-V296 PolarHBondContact O-N 3.25Å; F294-E298 WeakPolarHBondContact O-CB 3.34Å; F294-E298 PolarHBondContact O-N 3.48Å; F294-E298 VanDerWaalsContact O-N 3.14Å
295T96.9Very high94.7Very high32 Ų3235.1 Ų35.120%0.19617%0.17CC..Hα-helixtrans-69.8-28.817757.20000113F224 N291 E292 E298 L299F224-T295 HydrophobicContact CE2-CG2 3.84Å; F224-T295 HydrophobicContact CZ-CG2 4.01Å; N291-T295 VanDerWaalsContact C-OG1 3.32Å; N291-T295 HydrophobicContact CB-CG2 4.22Å; N291-T295 VanDerWaalsContact O-CB 3.28Å; N291-T295 WeakPolarHBondContact O-CB 3.15Å; N291-T295 WeakPolarHBondContact O-CG2 3.27Å; N291-T295 PolarHBondContact O-N 3.23Å; N291-T295 PolarHBondContact O-OG1 2.95Å; E292-T295 WeakPolarHBondContact CA-OG1 3.39Å; T295-E298 WeakPolarHBondContact O-CB 3.34Å; T295-L299 VanDerWaalsContact O-CD1 3.24Å; T295-L299 WeakPolarHBondContact O-CD1 3.12Å
296V97.1Very high95Very high2 Ų229.8 Ų29.81%0.01215%0.154CC..Hα-helixtrans-70-53.1176.5170.80000110.9L188 R191 L192 E292 F294 E298 L299L188-V296 HydrophobicContact CB-CG1 3.91Å; L188-V296 WeakPolarHBondContact CD2-O 3.12Å; L188-V296 VanDerWaalsContact O-CG1 3.23Å; L188-V296 WeakPolarHBondContact O-CG1 3.34Å; R191-V296 HydrophobicContact CB-CG1 4.43Å; R191-V296 HydrophobicContact CG-CG2 4.18Å; L192-V296 HydrophobicContact CB-CG1 4.34Å; L192-V296 HydrophobicContact CB-CG2 4.25Å; L192-V296 HydrophobicContact CD1-CG2 4.25Å; E292-V296 HydrophobicContact CB-CG2 4.44Å; E292-V296 VanDerWaalsContact O-CB 3.31Å; E292-V296 WeakPolarHBondContact O-CB 3.06Å; E292-V296 VanDerWaalsContact O-CG2 3.3Å; E292-V296 WeakPolarHBondContact O-CG2 3.45Å; E292-V296 PolarHBondContact O-N 3.02Å; F294-V296 VanDerWaalsContact C-N 3.33Å; F294-V296 PolarHBondContact O-N 3.25Å; V296-E298 PolarHBondContact O-N 3.27Å; V296-L299 WeakPolarHBondContact O-CB 3.34Å; V296-L299 WeakPolarHBondContact O-CD1 3.24Å; V296-L299 PolarHBondContact O-N 3.06Å
297P97.5Very high95Very high0 Ų030 Ų300%017%0.166CC..Hα-helixtrans-61.7-25.2174-26.837.5000114.7C218 Y219 V220 R293 L299 I300 F346C218-P297 HydrophobicContact CB-CG 3.69Å; Y219-P297 WeakPolarHBondContact O-CG 3.42Å; V220-P297 HydrophobicContact CG2-CB 3.81Å; R293-P297 WeakPolarHBondContact O-CD 3.23Å; P297-L299 PolarHBondContact O-N 3.06Å; P297-L299 VanDerWaalsContact O-N 3.11Å; P297-I300 WeakPolarHBondContact O-CB 3.47Å; P297-I300 WeakPolarHBondContact O-CG1 3.44Å; P297-I300 PolarHBondContact O-N 3.4Å; P297-F346 HydrophobicContact CB-CD2 4.38Å; P297-F346 HydrophobicContact CB-CE2 4.44Å; P297-F346 HydrophobicContact CG-CD1 4.5Å; P297-F346 HydrophobicContact CG-CE1 4.34Å; P297-F346 HydrophobicContact CG-CE2 4.4Å; P297-F346 HydrophobicContact CG-CZ 4.29Å
298E97.1Very high94.9Very high7 Ų734.2 Ų34.23%0.03318%0.183CC..Hα-helixtrans-57.4-25.3176.6-167.662.2-15500112.7F224 F294 T295 V296 I300 F301 H302 R352F224-E298 HydrophobicContact CD2-CB 4.4Å; F224-E298 HydrophobicContact CD2-CG 3.89Å; F224-E298 HydrophobicContact CE2-CB 4.21Å; F224-E298 HydrophobicContact CE2-CG 3.89Å; F294-E298 WeakPolarHBondContact O-CB 3.34Å; F294-E298 PolarHBondContact O-N 3.48Å; F294-E298 VanDerWaalsContact O-N 3.14Å; T295-E298 WeakPolarHBondContact O-CB 3.34Å; V296-E298 PolarHBondContact O-N 3.27Å; E298-I300 PolarHBondContact O-N 3.5Å; E298-F301 CarbonylContact O-C 3.58Å; E298-F301 WeakPolarHBondContact O-CA 3.41Å; E298-F301 PolarHBondContact O-N 2.95Å; E298-H302 PolarHBondContact O-N 3.09Å; E298-H302 IonicContact OE1-CE1 2.73Å; E298-H302 PolarHBondContact OE1-CE1 3.42Å; E298-H302 VanDerWaalsContact OE1-CE1 3.23Å; E298-H302 IonicContact OE1-CG 3.44Å; E298-H302 IonicContact OE1-ND1 2.75Å; E298-H302 PolarHBondContact OE1-ND1 3.11Å; E298-R352 IonicContact OE1-CZ 3.72Å; E298-R352 IonicContact OE1-NH1 3.32Å; E298-R352 PolarHBondContact OE1-NH1 3.36Å; E298-R352 IonicContact OE1-NH2 2.66Å; E298-R352 PolarHBondContact OE1-NH2 2.85Å; E298-R352 IonicContact OE2-CZ 3.4Å; E298-R352 IonicContact OE2-NH1 3.25Å; E298-R352 PolarHBondContact OE2-NH1 2.85Å; E298-R352 IonicContact OE2-NH2 3.55Å
299L96.4Very high94.9Very high8 Ų836.9 Ų36.94%0.04220%0.2CC..THydrogen-bonded Turntrans-57.4-22.4175.2-87.766.4000113.7I187 L188 R191 T295 V296 P297 F301 P303 V306I187-L299 HydrophobicContact CG2-CD2 4.33Å; L188-L299 HydrophobicContact CD2-CB 3.84Å; R191-L299 HydrophobicContact CB-CD2 4.02Å; R191-L299 HydrophobicContact CG-CD1 4.35Å; R191-L299 HydrophobicContact CG-CD2 3.81Å; T295-L299 VanDerWaalsContact O-CD1 3.24Å; T295-L299 WeakPolarHBondContact O-CD1 3.12Å; V296-L299 WeakPolarHBondContact O-CB 3.34Å; V296-L299 WeakPolarHBondContact O-CD1 3.24Å; V296-L299 PolarHBondContact O-N 3.06Å; P297-L299 PolarHBondContact O-N 3.06Å; P297-L299 VanDerWaalsContact O-N 3.11Å; L299-F301 PolarHBondContact O-N 2.9Å; L299-P303 WeakPolarHBondContact O-CA 3.47Å; L299-P303 WeakPolarHBondContact O-CD 3.45Å; L299-V306 HydrophobicContact CD1-CG1 3.9Å; L299-V306 HydrophobicContact CD2-CB 4.49Å; L299-V306 HydrophobicContact CD2-CG1 4.21Å; L299-V306 HydrophobicContact CD2-CG2 3.61Å; L299-V306 HydrophobicContact CG-CG1 4.11Å; L299-V306 HydrophobicContact CG-CG2 3.79Å
300I97.3Very high94.8Very high2 Ų240.5 Ų40.51%0.0122%0.217CC..THydrogen-bonded Turntrans-66.4-32.7174-58.8174.8000110.6V183 L188 P297 E298 L313 N343 F349V183-I300 HydrophobicContact CG1-CG1 4.1Å; L188-I300 HydrophobicContact CD1-CD1 3.8Å; L188-I300 HydrophobicContact CD1-CG1 3.97Å; L188-I300 HydrophobicContact CD2-CG1 4.17Å; P297-I300 WeakPolarHBondContact O-CB 3.47Å; P297-I300 WeakPolarHBondContact O-CG1 3.44Å; P297-I300 PolarHBondContact O-N 3.4Å; E298-I300 PolarHBondContact O-N 3.5Å; I300-L313 HydrophobicContact CG2-CB 4.02Å; I300-L313 HydrophobicContact CG2-CD2 4.01Å; I300-L313 WeakPolarHBondContact O-CB 3.45Å; I300-L313 PolarHBondContact O-N 2.85Å; I300-N343 HydrophobicContact CD1-CB 3.99Å; I300-F349 HydrophobicContact CD1-CD2 4.44Å; I300-F349 HydrophobicContact CD1-CE2 3.84Å; I300-F349 HydrophobicContact CG2-CE2 4.25Å
301F97.3Very high94.8Very high2 Ų241.4 Ų41.41%0.00922%0.22CC..THydrogen-bonded Turntrans-98.3-30.5-177.3-59.7-88.4000112.4V220 E298 L299 G312 L313 T314 R352V220-F301 HydrophobicContact CG1-CD2 4.38Å; V220-F301 HydrophobicContact CG1-CE2 3.53Å; V220-F301 HydrophobicContact CG1-CZ 3.98Å; V220-F301 HydrophobicContact CG2-CE2 4.13Å; E298-F301 CarbonylContact O-C 3.58Å; E298-F301 WeakPolarHBondContact O-CA 3.41Å; E298-F301 PolarHBondContact O-N 2.95Å; L299-F301 PolarHBondContact O-N 2.9Å; F301-G312 WeakPolarHBondContact O-CA 3.25Å; F301-L313 HydrophobicContact CD1-CB 4.48Å; F301-L313 HydrophobicContact CE1-CD2 4.3Å; F301-T314 HydrophobicContact CD1-CG2 3.66Å; F301-T314 HydrophobicContact CE1-CG2 3.87Å; F301-R352 HydrophobicContact CD1-CG 4.35Å; F301-R352 HydrophobicContact CE1-CG 3.83Å; F301-R352 HydrophobicContact CE2-CG 4.19Å; F301-R352 HydrophobicContact CZ-CB 4.38Å; F301-R352 HydrophobicContact CZ-CG 3.74Å
302H96.2Very high94.9Very high75 Ų7540 Ų4035%0.34721%0.214SC..  trans-135.769.8-179.3-59.8103.2000111.1E298 S304 D305 R352E298-H302 PolarHBondContact O-N 3.09Å; E298-H302 IonicContact OE1-CE1 2.73Å; E298-H302 PolarHBondContact OE1-CE1 3.42Å; E298-H302 VanDerWaalsContact OE1-CE1 3.23Å; E298-H302 IonicContact OE1-CG 3.44Å; E298-H302 IonicContact OE1-ND1 2.75Å; E298-H302 PolarHBondContact OE1-ND1 3.11Å; H302-S304 VanDerWaalsContact C-N 3.25Å; H302-S304 PolarHBondContact O-N 3.38Å; H302-D305 WeakPolarHBondContact CB-OD2 3.28Å; H302-D305 PolarHBondContact O-N 3.33Å; H302-R352 PolarHBondContact CE1-NH2 3.23Å
303P95.5Very high94.9Very high1 Ų139.8 Ų39.81%0.00621%0.212CC..G310 helixtrans-62.8-29.917823.7-34.3000113.8V183 L299 D305 V306 Y308 E310V183-P303 HydrophobicContact CG2-CB 3.79Å; L299-P303 WeakPolarHBondContact O-CA 3.47Å; L299-P303 WeakPolarHBondContact O-CD 3.45Å; P303-D305 PolarHBondContact O-N 2.7Å; P303-V306 WeakPolarHBondContact O-CG2 3.44Å; P303-V306 PolarHBondContact O-N 2.72Å; P303-Y308 CarbonylContact C-O 3.44Å; P303-Y308 WeakPolarHBondContact O-CB 3.25Å; P303-Y308 PolarHBondContact O-N 3.22Å; P303-E310 VanDerWaalsContact CG-O 3.28Å; P303-E310 WeakPolarHBondContact CG-O 3.39Å
304S93.8Very high94.9Very high61 Ų6138.7 Ų38.743%0.42721%0.209SC..G310 helixtrans-62.4-27.2-179.450.60000113.5H302 V306 G307 Y308H302-S304 VanDerWaalsContact C-N 3.25Å; H302-S304 PolarHBondContact O-N 3.38Å; S304-V306 PolarHBondContact O-N 3.13Å; S304-V306 VanDerWaalsContact O-N 3.11Å; S304-G307 PolarHBondContact O-N 3.04Å; S304-Y308 WeakPolarHBondContact CA-O 3.24Å; S304-Y308 PolarHBondContact N-O 2.6Å
305D89.8Confident94.8Very high118 Ų11843.6 Ų43.663%0.63123%0.232SC*.G310 helixtrans-61.1-21.8178.6-72.1-9.9000113.6H302 P303H302-D305 WeakPolarHBondContact CB-OD2 3.28Å; H302-D305 PolarHBondContact O-N 3.33Å; P303-D305 PolarHBondContact O-N 2.7Å
306V87.8Confident94.8Very high52 Ų5242 Ų4232%0.31522%0.223SC..G310 helixtrans-115.815.5177.2-58.40000112.8L299 P303 S304 Y308L299-V306 HydrophobicContact CD1-CG1 3.9Å; L299-V306 HydrophobicContact CD2-CB 4.49Å; L299-V306 HydrophobicContact CD2-CG1 4.21Å; L299-V306 HydrophobicContact CD2-CG2 3.61Å; L299-V306 HydrophobicContact CG-CG1 4.11Å; L299-V306 HydrophobicContact CG-CG2 3.79Å; P303-V306 WeakPolarHBondContact O-CG2 3.44Å; P303-V306 PolarHBondContact O-N 2.72Å; S304-V306 PolarHBondContact O-N 3.13Å; S304-V306 VanDerWaalsContact O-N 3.11Å; V306-Y308 HydrophobicContact CG2-CD2 3.42Å; V306-Y308 VanDerWaalsContact CG2-CD2 3.42Å; V306-Y308 HydrophobicContact CG2-CE2 3.66Å
307G89.7Confident94.9Very high51 Ų5142 Ų4253%0.52622%0.222SC..THydrogen-bonded Turntrans91.84.5174.200000116S304 Q309S304-G307 PolarHBondContact O-N 3.04Å; G307-Q309 PolarHBondContact O-N 3Å
308Y90Very high94.8Very high89 Ų8946 Ų4635%0.34924%0.241SC..  trans-79.1110.3169.7-66-76.5000109.6I187 P303 S304 V306 E310I187-Y308 HydrophobicContact CD1-CE1 4.08Å; I187-Y308 HydrophobicContact CG2-CE2 3.69Å; P303-Y308 CarbonylContact C-O 3.44Å; P303-Y308 WeakPolarHBondContact O-CB 3.25Å; P303-Y308 PolarHBondContact O-N 3.22Å; S304-Y308 WeakPolarHBondContact CA-O 3.24Å; S304-Y308 PolarHBondContact N-O 2.6Å; V306-Y308 HydrophobicContact CG2-CD2 3.42Å; V306-Y308 VanDerWaalsContact CG2-CD2 3.42Å; V306-Y308 HydrophobicContact CG2-CE2 3.66Å; Y308-E310 PolarHBondContact O-N 3.01Å
309Q92.8Very high94.8Very high170 Ų17049.8 Ų49.879%0.79426%0.256SS*.  trans-79.561.1179.8-60-62-33.900111.4G307G307-Q309 PolarHBondContact O-N 3Å
310E93.3Very high94.8Very high77 Ų7749.4 Ų49.436%0.3625%0.254SS..SBendtrans-134.5163.2177.3-64.5-17217100109.9T182 P303 Y308T182-E310 VanDerWaalsContact CB-OE2 3.24Å; T182-E310 WeakPolarHBondContact CB-OE2 3.47Å; T182-E310 WeakPolarHBondContact CG2-OE1 2.97Å; T182-E310 WeakPolarHBondContact CG2-OE2 3.44Å; T182-E310 PolarHBondContact N-OE2 3.48Å; T182-E310 PolarHBondContact OG1-OE1 2.94Å; T182-E310 PolarHBondContact OG1-OE2 3.44Å; P303-E310 VanDerWaalsContact CG-O 3.28Å; P303-E310 WeakPolarHBondContact CG-O 3.39Å; Y308-E310 PolarHBondContact O-N 3.01Å
311M95.8Very high94.8Very high53 Ų5349.5 Ų49.526%0.26125%0.254SS..  trans-69.8146.7175.1-71.9175.281.600111.6L181 E315 A316 Y319L181-M311 HydrophobicContact CD2-CB 4.49Å; M311-E315 WeakPolarHBondContact CA-OE2 3.47Å; M311-E315 HydrophobicContact CB-CB 4.31Å; M311-E315 HydrophobicContact CE-CB 3.75Å; M311-E315 HydrophobicContact CE-CG 3.41Å; M311-E315 VanDerWaalsContact CE-CG 3.41Å; M311-E315 WeakPolarHBondContact CE-O 3.26Å; M311-E315 HydrophobicContact CG-CG 4.41Å; M311-A316 HydrophobicContact CB-CB 4.08Å; M311-A316 VanDerWaalsContact CE-CA 3.47Å; M311-A316 HydrophobicContact CE-CB 4.41Å; M311-A316 VanDerWaalsContact CE-N 3.34Å; M311-Y319 VanDerWaalsContact CE-CB 3.43Å; M311-Y319 HydrophobicContact CE-CG 4.22Å; M311-Y319 HydrophobicContact SD-CD1 4.4Å; M311-Y319 HydrophobicContact SD-CG 4.23Å
312G96.7Very high94.6Very high1 Ų151.3 Ų51.31%0.0127%0.267CS..  trans-66.2164.1164.300000113F301 T314 E315 A316F301-G312 WeakPolarHBondContact O-CA 3.25Å; G312-T314 PolarHBondContact O-N 3.16Å; G312-E315 PolarHBondContact N-OE2 3.38Å; G312-E315 PolarHBondContact O-N 3.24Å; G312-A316 WeakPolarHBondContact O-CB 3.35Å; G312-A316 PolarHBondContact O-N 2.84Å
313L97.6Very high94.5Very high0 Ų054.2 Ų54.20%028%0.281CS..Hα-helixtrans-54.1-49.5176.5175.757.8000112.9I156 T163 I165 L181 I300 F301 A316 I317 F349 L353I156-L313 HydrophobicContact CG2-CD1 3.8Å; I156-L313 HydrophobicContact CG2-CD2 4.15Å; T163-L313 HydrophobicContact CG2-CD1 3.91Å; I165-L313 HydrophobicContact CD1-CD1 4.04Å; I165-L313 HydrophobicContact CG1-CD1 3.96Å; L181-L313 HydrophobicContact CD1-CB 4.3Å; L181-L313 HydrophobicContact CD1-CD1 4.46Å; I300-L313 HydrophobicContact CG2-CB 4.02Å; I300-L313 HydrophobicContact CG2-CD2 4.01Å; I300-L313 WeakPolarHBondContact O-CB 3.45Å; I300-L313 PolarHBondContact O-N 2.85Å; F301-L313 HydrophobicContact CD1-CB 4.48Å; F301-L313 HydrophobicContact CE1-CD2 4.3Å; L313-A316 PolarHBondContact O-N 3.44Å; L313-I317 HydrophobicContact CD1-CD1 4.02Å; L313-I317 HydrophobicContact CD1-CG1 4.42Å; L313-I317 HydrophobicContact CG-CD1 4.21Å; L313-I317 VanDerWaalsContact O-CG1 3.28Å; L313-I317 WeakPolarHBondContact O-CG1 3.44Å; L313-I317 PolarHBondContact O-N 2.91Å; L313-F349 HydrophobicContact CD2-CE1 4.25Å; L313-F349 HydrophobicContact CD2-CZ 3.69Å; L313-L353 HydrophobicContact CD2-CD1 4Å; L313-L353 HydrophobicContact CG-CD1 4.19Å
314T96.3Very high94.6Very high11 Ų1158.7 Ų58.77%0.06730%0.298CS..Hα-helixtrans-72.5-37.4-176.448.40000112F301 G312 I317 H318 L353 D356 Q360F301-T314 HydrophobicContact CD1-CG2 3.66Å; F301-T314 HydrophobicContact CE1-CG2 3.87Å; G312-T314 PolarHBondContact O-N 3.16Å; T314-I317 PolarHBondContact O-N 3.12Å; T314-H318 PolarHBondContact O-N 3.44Å; T314-L353 HydrophobicContact CG2-CD1 4.05Å; T314-D356 HydrophobicContact CG2-CB 3.42Å; T314-D356 VanDerWaalsContact CG2-CB 3.42Å; T314-Q360 PolarHBondContact O-NE2 3.39Å; T314-Q360 PolarHBondContact O-OE1 3.26Å
315E96.3Very high94.7Very high103 Ų10356 Ų5648%0.48128%0.279SS..Hα-helixtrans-61.7-46.9172-156.3-162160.700110.3M311 G312 I317 H318 Y319M311-E315 WeakPolarHBondContact CA-OE2 3.47Å; M311-E315 HydrophobicContact CB-CB 4.31Å; M311-E315 HydrophobicContact CE-CB 3.75Å; M311-E315 HydrophobicContact CE-CG 3.41Å; M311-E315 VanDerWaalsContact CE-CG 3.41Å; M311-E315 WeakPolarHBondContact CE-O 3.26Å; M311-E315 HydrophobicContact CG-CG 4.41Å; G312-E315 PolarHBondContact N-OE2 3.38Å; G312-E315 PolarHBondContact O-N 3.24Å; E315-I317 VanDerWaalsContact C-N 3.31Å; E315-I317 PolarHBondContact O-N 2.99Å; E315-H318 WeakPolarHBondContact O-CA 3.24Å; E315-H318 VanDerWaalsContact O-CB 3.22Å; E315-H318 WeakPolarHBondContact O-CB 3.43Å; E315-H318 PolarHBondContact O-N 3.35Å; E315-Y319 PolarHBondContact O-N 3.2Å
316A97.5Very high95Very high0 Ų053.3 Ų53.30%027%0.267CS..Hα-helixtrans-63.2-36.8-179.300000112.4I165 I179 L181 M311 G312 L313 L320I165-A316 HydrophobicContact CD1-CB 3.44Å; I165-A316 VanDerWaalsContact CD1-CB 3.44Å; I179-A316 HydrophobicContact CG2-CB 4.4Å; L181-A316 HydrophobicContact CD1-CB 4.04Å; L181-A316 HydrophobicContact CD2-CB 3.89Å; L181-A316 HydrophobicContact CG-CB 4.39Å; M311-A316 HydrophobicContact CB-CB 4.08Å; M311-A316 VanDerWaalsContact CE-CA 3.47Å; M311-A316 HydrophobicContact CE-CB 4.41Å; M311-A316 VanDerWaalsContact CE-N 3.34Å; G312-A316 WeakPolarHBondContact O-CB 3.35Å; G312-A316 PolarHBondContact O-N 2.84Å; L313-A316 PolarHBondContact O-N 3.44Å; A316-L320 WeakPolarHBondContact O-CB 3.4Å; A316-L320 PolarHBondContact O-N 3.01Å
317I97.4Very high95.2Very high0 Ų054.6 Ų54.60%028%0.284CS..Hα-helixtrans-63.9-43.1170.8-68.2166.5000110.5I156 I165 L313 T314 E315 L320 M321 W334 F337 L353 I357I156-I317 HydrophobicContact CD1-CD1 3.55Å; I156-I317 HydrophobicContact CG1-CD1 4.35Å; I165-I317 HydrophobicContact CD1-CG1 3.85Å; I165-I317 HydrophobicContact CG1-CG1 4.33Å; I165-I317 HydrophobicContact CG2-CG1 4.22Å; L313-I317 HydrophobicContact CD1-CD1 4.02Å; L313-I317 HydrophobicContact CD1-CG1 4.42Å; L313-I317 HydrophobicContact CG-CD1 4.21Å; L313-I317 VanDerWaalsContact O-CG1 3.28Å; L313-I317 WeakPolarHBondContact O-CG1 3.44Å; L313-I317 PolarHBondContact O-N 2.91Å; T314-I317 PolarHBondContact O-N 3.12Å; E315-I317 VanDerWaalsContact C-N 3.31Å; E315-I317 PolarHBondContact O-N 2.99Å; I317-L320 WeakPolarHBondContact O-CB 3.39Å; I317-L320 PolarHBondContact O-N 2.86Å; I317-M321 HydrophobicContact CG2-CG 4.31Å; I317-M321 WeakPolarHBondContact O-CB 3.45Å; I317-M321 VanDerWaalsContact O-CG 3.26Å; I317-M321 WeakPolarHBondContact O-CG 3.17Å; I317-M321 PolarHBondContact O-N 3.03Å; I317-W334 HydrophobicContact CG2-CZ3 4.49Å; I317-F337 HydrophobicContact CG2-CE1 3.74Å; I317-F337 HydrophobicContact CG2-CZ 3.98Å; I317-L353 HydrophobicContact CD1-CD1 3.84Å; I317-I357 HydrophobicContact CD1-CD1 3.94Å; I317-I357 HydrophobicContact CD1-CG1 4.36Å; I317-I357 HydrophobicContact CG2-CG1 4.4Å
318H96.2Very high95.4Very high86 Ų8656 Ų5640%0.39829%0.29SS..Hα-helixtrans-57.6-52.1176.1-173.267.4000111.6T314 E315 L320 M321 S322T314-H318 PolarHBondContact O-N 3.44Å; E315-H318 WeakPolarHBondContact O-CA 3.24Å; E315-H318 VanDerWaalsContact O-CB 3.22Å; E315-H318 WeakPolarHBondContact O-CB 3.43Å; E315-H318 PolarHBondContact O-N 3.35Å; H318-L320 VanDerWaalsContact C-N 3.32Å; H318-L320 PolarHBondContact O-N 3.48Å; H318-M321 CarbonylContact O-C 3.51Å; H318-M321 PolarHBondContact O-N 3.42Å; H318-M321 VanDerWaalsContact O-N 3.08Å; H318-S322 WeakPolarHBondContact O-CB 3.17Å; H318-S322 PolarHBondContact O-N 2.99Å; H318-S322 PolarHBondContact O-OG 3.3Å
319Y97.1Very high95.6Very high85 Ų8552.3 Ų52.333%0.33328%0.277SS..Hα-helixtrans-59.3-41178.4169.3-102.7000112.7I179 M311 E315 M321 E323 R324I179-Y319 HydrophobicContact CD1-CD1 3.8Å; I179-Y319 HydrophobicContact CD1-CE1 4.22Å; M311-Y319 VanDerWaalsContact CE-CB 3.43Å; M311-Y319 HydrophobicContact CE-CG 4.22Å; M311-Y319 HydrophobicContact SD-CD1 4.4Å; M311-Y319 HydrophobicContact SD-CG 4.23Å; E315-Y319 PolarHBondContact O-N 3.2Å; Y319-M321 VanDerWaalsContact C-N 3.33Å; Y319-M321 PolarHBondContact O-N 2.69Å; Y319-E323 HydrophobicContact CD2-CB 3.94Å; Y319-E323 HydrophobicContact CD2-CG 3.64Å; Y319-E323 HydrophobicContact CE2-CB 3.81Å; Y319-E323 HydrophobicContact CE2-CG 3.81Å; Y319-E323 WeakPolarHBondContact O-CB 3.23Å; Y319-E323 PolarHBondContact O-N 3.15Å; Y319-R324 HydrophobicContact CD1-CG 4.18Å; Y319-R324 HydrophobicContact CE1-CG 3.61Å; Y319-R324 PolarHBondContact O-N 3.33Å; Y319-R324 PolarHBondContact OH-NH1 2.91Å
320L97.4Very high95.6Very high0 Ų046.6 Ų46.60%025%0.249CC..Iπ-helixtrans-58.3-47.1173.9175.263.6000111.4I154 I165 P167 F177 I179 A316 I317 H318 R324 L325I154-L320 HydrophobicContact CD1-CD2 3.87Å; I154-L320 HydrophobicContact CG1-CD2 4.5Å; I165-L320 HydrophobicContact CG2-CD2 3.49Å; I165-L320 VanDerWaalsContact CG2-CD2 3.49Å; P167-L320 HydrophobicContact CG-CD1 3.88Å; P167-L320 HydrophobicContact CG-CD2 3.73Å; P167-L320 HydrophobicContact CG-CG 4.34Å; F177-L320 HydrophobicContact CB-CD1 4.04Å; F177-L320 WeakPolarHBondContact O-CD1 3.48Å; I179-L320 HydrophobicContact CD1-CB 3.75Å; I179-L320 HydrophobicContact CD1-CD1 4.22Å; I179-L320 HydrophobicContact CD1-CG 4.47Å; A316-L320 WeakPolarHBondContact O-CB 3.4Å; A316-L320 PolarHBondContact O-N 3.01Å; I317-L320 WeakPolarHBondContact O-CB 3.39Å; I317-L320 PolarHBondContact O-N 2.86Å; H318-L320 VanDerWaalsContact C-N 3.32Å; H318-L320 PolarHBondContact O-N 3.48Å; L320-R324 HydrophobicContact CD1-CB 4.08Å; L320-R324 PolarHBondContact O-N 3.48Å; L320-L325 HydrophobicContact CD1-CD1 4.16Å; L320-L325 HydrophobicContact CD1-CD2 4.27Å; L320-L325 HydrophobicContact CD1-CG 3.78Å; L320-L325 HydrophobicContact CD2-CD1 4.3Å; L320-L325 HydrophobicContact CG-CD1 3.84Å; L320-L325 HydrophobicContact CG-CG 3.97Å; L320-L325 PolarHBondContact O-N 3.25Å
321M95.6Very high95.6Very high5 Ų545.8 Ų45.83%0.02525%0.25CS..Iπ-helixtrans-74-35.6-176.4-70-65-132.300113I154 I317 H318 Y319 L325 K330 A333 W334 F337I154-M321 HydrophobicContact CD1-CE 3.71Å; I154-M321 HydrophobicContact CD1-SD 3.81Å; I317-M321 HydrophobicContact CG2-CG 4.31Å; I317-M321 WeakPolarHBondContact O-CB 3.45Å; I317-M321 VanDerWaalsContact O-CG 3.26Å; I317-M321 WeakPolarHBondContact O-CG 3.17Å; I317-M321 PolarHBondContact O-N 3.03Å; H318-M321 CarbonylContact O-C 3.51Å; H318-M321 PolarHBondContact O-N 3.42Å; H318-M321 VanDerWaalsContact O-N 3.08Å; Y319-M321 VanDerWaalsContact C-N 3.33Å; Y319-M321 PolarHBondContact O-N 2.69Å; M321-L325 HydrophobicContact SD-CD1 3.66Å; M321-K330 WeakPolarHBondContact O-CD 3.29Å; M321-K330 WeakPolarHBondContact O-CE 3.28Å; M321-K330 PolarHBondContact O-NZ 2.86Å; M321-A333 HydrophobicContact CE-CB 3.63Å; M321-A333 HydrophobicContact SD-CB 3.99Å; M321-W334 HydrophobicContact CB-CH2 3.95Å; M321-W334 HydrophobicContact CB-CZ2 3.52Å; M321-W334 HydrophobicContact CE-CB 4.04Å; M321-W334 HydrophobicContact CE-CD2 3.23Å; M321-W334 HydrophobicContact CE-CE3 3.52Å; M321-W334 HydrophobicContact CE-CG 3.45Å; M321-W334 VanDerWaalsContact CE-CG 3.45Å; M321-W334 HydrophobicContact CE-CH2 4.42Å; M321-W334 HydrophobicContact CE-CZ2 4.22Å; M321-W334 HydrophobicContact CE-CZ3 4.07Å; M321-W334 VanDerWaalsContact CE-N 3.26Å; M321-W334 HydrophobicContact CG-CD2 4.42Å; M321-W334 HydrophobicContact CG-CH2 3.76Å; M321-W334 HydrophobicContact CG-CZ2 3.64Å; M321-W334 HydrophobicContact CG-CZ3 4.18Å; M321-W334 HydrophobicContact SD-CD2 4.39Å; M321-W334 HydrophobicContact SD-CZ2 4.47Å; M321-F337 HydrophobicContact CE-CE1 4.46Å; M321-F337 HydrophobicContact CE-CE2 4.32Å; M321-F337 HydrophobicContact CE-CZ 3.65Å
322S93.8Very high95.4Very high39 Ų3943.6 Ų43.627%0.27324%0.241SC..Iπ-helixtrans-82.5-53-178.171.10000111.5H318 K330H318-S322 WeakPolarHBondContact O-CB 3.17Å; H318-S322 PolarHBondContact O-N 2.99Å; H318-S322 PolarHBondContact O-OG 3.3Å; S322-K330 PolarHBondContact O-NZ 3.2Å
323E95Very high95.3Very high137 Ų13743.6 Ų43.664%0.6424%0.241SC*.Iπ-helixtrans-98.8-32.5-165.8-56-44.5123.800114.3Y319Y319-E323 HydrophobicContact CD2-CB 3.94Å; Y319-E323 HydrophobicContact CD2-CG 3.64Å; Y319-E323 HydrophobicContact CE2-CB 3.81Å; Y319-E323 HydrophobicContact CE2-CG 3.81Å; Y319-E323 WeakPolarHBondContact O-CB 3.23Å; Y319-E323 PolarHBondContact O-N 3.15Å
324R96.8Very high95.1Very high95 Ų9544.2 Ų44.236%0.35824%0.244SC..Iπ-helixtrans-100.7-51-166.3-63.5-75-72.6-94.1-4.6112.4D176 F177 Y319 L320D176-R324 PolarHBondContact O-NH2 3.47Å; F177-R324 HydrophobicContact CD1-CB 4.25Å; F177-R324 WeakPolarHBondContact CD1-O 3.17Å; F177-R324 WeakPolarHBondContact CE1-O 3.37Å; Y319-R324 HydrophobicContact CD1-CG 4.18Å; Y319-R324 HydrophobicContact CE1-CG 3.61Å; Y319-R324 PolarHBondContact O-N 3.33Å; Y319-R324 PolarHBondContact OH-NH1 2.91Å; L320-R324 HydrophobicContact CD1-CB 4.08Å; L320-R324 PolarHBondContact O-N 3.48Å
325L95.8Very high95Very high5 Ų543.8 Ų43.83%0.02624%0.242CC..SBendtrans-71.6140.9-172.3-76175.1000113I154 P167 M174 F177 L320 M321 V329 K330 A333I154-L325 HydrophobicContact CD1-CD1 4.27Å; P167-L325 HydrophobicContact CB-CD2 4Å; P167-L325 HydrophobicContact CG-CD2 4.18Å; M174-L325 HydrophobicContact CE-CD2 4.01Å; F177-L325 HydrophobicContact CB-CD2 3.9Å; F177-L325 HydrophobicContact CD1-CD2 3.94Å; F177-L325 HydrophobicContact CD2-CD2 4.48Å; F177-L325 HydrophobicContact CG-CD2 3.84Å; L320-L325 HydrophobicContact CD1-CD1 4.16Å; L320-L325 HydrophobicContact CD1-CD2 4.27Å; L320-L325 HydrophobicContact CD1-CG 3.78Å; L320-L325 HydrophobicContact CD2-CD1 4.3Å; L320-L325 HydrophobicContact CG-CD1 3.84Å; L320-L325 HydrophobicContact CG-CG 3.97Å; L320-L325 PolarHBondContact O-N 3.25Å; M321-L325 HydrophobicContact SD-CD1 3.66Å; L325-V329 HydrophobicContact CD2-CG1 4.29Å; L325-K330 HydrophobicContact CB-CG 4.26Å; L325-K330 WeakPolarHBondContact O-CE 3.11Å; L325-A333 HydrophobicContact CD1-CB 4.31Å
326P95.3Very high94.8Very high60 Ų6038.9 Ų38.939%0.3922%0.219SC..  trans-61.4143.9173.1-21.432.6000112F177 A328 V329 K330F177-P326 HydrophobicContact CE1-CG 4.39Å; F177-P326 HydrophobicContact CZ-CG 4.08Å; P326-A328 PolarHBondContact O-N 3.43Å; P326-A328 VanDerWaalsContact O-N 3.09Å; P326-V329 HydrophobicContact CB-CG2 4.24Å; P326-V329 HydrophobicContact CG-CG2 4.33Å; P326-V329 WeakPolarHBondContact O-CB 3.36Å; P326-V329 PolarHBondContact O-N 3.19Å; P326-K330 PolarHBondContact O-N 3.44Å
327A93.4Very high94.7Very high80 Ų8038.9 Ų38.966%0.66122%0.219SC*.THydrogen-bonded Turntrans-53.4-35.8-176.300000114.1V329 P331A327-V329 VanDerWaalsContact C-N 3.26Å; A327-V329 PolarHBondContact O-N 3.44Å; A327-P331 WeakPolarHBondContact O-CD 3.32Å
328A92.4Very high94.5Very high81 Ų8138.9 Ų38.967%0.66922%0.219SC*.THydrogen-bonded Turntrans-69.6-18.617900000114.4P326P326-A328 PolarHBondContact O-N 3.43Å; P326-A328 VanDerWaalsContact O-N 3.09Å
329V94.1Very high94.5Very high10 Ų1034.8 Ų34.86%0.06120%0.2CC..THydrogen-bonded Turntrans-90.7-34-178.5178.40000111Y152 M174 L325 P326 A327 G332 A333Y152-V329 HydrophobicContact CD1-CB 4.48Å; Y152-V329 HydrophobicContact CD1-CG1 3.75Å; Y152-V329 HydrophobicContact CD1-CG2 4.28Å; Y152-V329 HydrophobicContact CD2-CG1 4.21Å; Y152-V329 HydrophobicContact CE1-CB 4.48Å; Y152-V329 HydrophobicContact CE1-CG1 4.2Å; Y152-V329 HydrophobicContact CE1-CG2 3.86Å; Y152-V329 HydrophobicContact CE2-CG2 4.39Å; Y152-V329 HydrophobicContact CG-CB 4.5Å; Y152-V329 HydrophobicContact CG-CG1 3.74Å; M174-V329 HydrophobicContact CE-CG1 4.35Å; M174-V329 HydrophobicContact CE-CG2 4.25Å; M174-V329 HydrophobicContact SD-CG1 4.19Å; L325-V329 HydrophobicContact CD2-CG1 4.29Å; P326-V329 HydrophobicContact CB-CG2 4.24Å; P326-V329 HydrophobicContact CG-CG2 4.33Å; P326-V329 WeakPolarHBondContact O-CB 3.36Å; P326-V329 PolarHBondContact O-N 3.19Å; A327-V329 VanDerWaalsContact C-N 3.26Å; A327-V329 PolarHBondContact O-N 3.44Å; V329-G332 PolarHBondContact O-N 3.12Å; V329-G332 VanDerWaalsContact O-N 3.16Å; V329-A333 HydrophobicContact CG1-CB 4.42Å; V329-A333 PolarHBondContact O-N 3.14Å
330K94.5Very high94.5Very high51 Ų5131 Ų3122%0.22219%0.185CC..Hα-helixtrans-52.7-47.4-171.3-55-179.9-177.3-158.80113.8M321 S322 L325 P326 G332 A333 W334M321-K330 WeakPolarHBondContact O-CD 3.29Å; M321-K330 WeakPolarHBondContact O-CE 3.28Å; M321-K330 PolarHBondContact O-NZ 2.86Å; S322-K330 PolarHBondContact O-NZ 3.2Å; L325-K330 HydrophobicContact CB-CG 4.26Å; L325-K330 WeakPolarHBondContact O-CE 3.11Å; P326-K330 PolarHBondContact O-N 3.44Å; K330-G332 VanDerWaalsContact C-N 3.34Å; K330-G332 PolarHBondContact O-N 3.47Å; K330-A333 PolarHBondContact O-N 3.28Å; K330-W334 PolarHBondContact O-N 2.9Å
331P92.7Very high94.3Very high59 Ų5931.3 Ų31.338%0.38319%0.189SC..Hα-helixtrans-60.8-42.1-179.1-25.236.3000113.1A327 A335 L365A327-P331 WeakPolarHBondContact O-CD 3.32Å; P331-A335 PolarHBondContact O-N 3.47Å; P331-L365 HydrophobicContact CB-CD1 4.36Å; P331-L365 HydrophobicContact CB-CD2 3.87Å
332G92.3Very high94.3Very high7 Ų732.9 Ų32.97%0.07221%0.206CC..Hα-helixtrans-71.2-34177.700000113.2S150 Y152 V329 K330 N336S150-G332 VanDerWaalsContact OG-CA 3.29Å; S150-G332 WeakPolarHBondContact OG-CA 3.42Å; Y152-G332 VanDerWaalsContact O-O 3.05Å; V329-G332 PolarHBondContact O-N 3.12Å; V329-G332 VanDerWaalsContact O-N 3.16Å; K330-G332 VanDerWaalsContact C-N 3.34Å; K330-G332 PolarHBondContact O-N 3.47Å; G332-N336 PolarHBondContact O-ND2 2.9Å
333A93.6Very high94.5Very high1 Ų131.2 Ų31.21%0.00819%0.194CC..Hα-helixtrans-68.4-43.6176.600000112.1I154 M321 L325 V329 K330 A335 N336I154-A333 HydrophobicContact CD1-CB 3.97Å; I154-A333 HydrophobicContact CG1-CB 4.13Å; M321-A333 HydrophobicContact CE-CB 3.63Å; M321-A333 HydrophobicContact SD-CB 3.99Å; L325-A333 HydrophobicContact CD1-CB 4.31Å; V329-A333 HydrophobicContact CG1-CB 4.42Å; V329-A333 PolarHBondContact O-N 3.14Å; K330-A333 PolarHBondContact O-N 3.28Å; A333-A335 PolarHBondContact O-N 3.41Å; A333-N336 PolarHBondContact O-N 2.82Å
334W94.2Very high94.5Very high13 Ų1324.7 Ų24.75%0.04916%0.163CC..Hα-helixtrans-59.5-37.3176.6-78.6118.7000111.7I317 M321 K330 N336 F337 I357 Q360 A361 L365 P366 V367I317-W334 HydrophobicContact CG2-CZ3 4.49Å; M321-W334 HydrophobicContact CB-CH2 3.95Å; M321-W334 HydrophobicContact CB-CZ2 3.52Å; M321-W334 HydrophobicContact CE-CB 4.04Å; M321-W334 HydrophobicContact CE-CD2 3.23Å; M321-W334 HydrophobicContact CE-CE3 3.52Å; M321-W334 HydrophobicContact CE-CG 3.45Å; M321-W334 VanDerWaalsContact CE-CG 3.45Å; M321-W334 HydrophobicContact CE-CH2 4.42Å; M321-W334 HydrophobicContact CE-CZ2 4.22Å; M321-W334 HydrophobicContact CE-CZ3 4.07Å; M321-W334 VanDerWaalsContact CE-N 3.26Å; M321-W334 HydrophobicContact CG-CD2 4.42Å; M321-W334 HydrophobicContact CG-CH2 3.76Å; M321-W334 HydrophobicContact CG-CZ2 3.64Å; M321-W334 HydrophobicContact CG-CZ3 4.18Å; M321-W334 HydrophobicContact SD-CD2 4.39Å; M321-W334 HydrophobicContact SD-CZ2 4.47Å; K330-W334 PolarHBondContact O-N 2.9Å; W334-N336 VanDerWaalsContact C-N 3.26Å; W334-N336 PolarHBondContact O-N 2.8Å; W334-F337 AromaticContact CE3-CE2 3.79Å; W334-F337 HydrophobicContact CE3-CE2 3.79Å; W334-F337 AromaticContact CE3-CZ 3.74Å; W334-F337 HydrophobicContact CE3-CZ 3.74Å; W334-F337 HydrophobicContact CZ3-CE2 4.4Å; W334-F337 HydrophobicContact CZ3-CZ 4.02Å; W334-F337 WeakPolarHBondContact O-CD2 3.37Å; W334-F337 VanDerWaalsContact O-CE2 3.29Å; W334-F337 WeakPolarHBondContact O-CE2 3.39Å; W334-I357 HydrophobicContact CE3-CG2 3.84Å; W334-I357 HydrophobicContact CZ3-CG2 3.72Å; W334-Q360 HydrophobicContact CH2-CB 4.16Å; W334-A361 HydrophobicContact CD2-CB 3.76Å; W334-A361 HydrophobicContact CE3-CB 3.62Å; W334-A361 HydrophobicContact CG-CB 4.37Å; W334-A361 HydrophobicContact CH2-CB 4.3Å; W334-A361 HydrophobicContact CZ2-CB 4.39Å; W334-A361 HydrophobicContact CZ3-CB 3.96Å; W334-L365 HydrophobicContact CB-CD1 4.47Å; W334-L365 HydrophobicContact CG-CD1 4.27Å; W334-P366 CarbonylContact C-O 3.54Å; W334-V367 WeakPolarHBondContact O-CA 3.24Å
335A92.7Very high94.5Very high3 Ų323.2 Ų23.23%0.02517%0.167CC..THydrogen-bonded Turntrans-70-17.4-177.800000114.4L149 P331 A333 P366 N368L149-A335 HydrophobicContact CB-CB 4.02Å; L149-A335 HydrophobicContact CD1-CB 4.07Å; P331-A335 PolarHBondContact O-N 3.47Å; A333-A335 PolarHBondContact O-N 3.41Å; A335-P366 VanDerWaalsContact CA-O 3.24Å; A335-P366 WeakPolarHBondContact CA-O 3.46Å; A335-P366 HydrophobicContact CB-CG 3.98Å; A335-P366 PolarHBondContact N-O 3.03Å; A335-N368 VanDerWaalsContact O-CB 3.25Å; A335-N368 WeakPolarHBondContact O-CB 3.17Å
336N93Very high94.6Very high0 Ų023.5 Ų23.50%017%0.168CC..  trans-143.290.4-172.2-50.2-74000111.8L149 S150 Y152 C153 I154 G332 A333 W334L149-N336 PolarHBondContact N-OD1 2.82Å; S150-N336 PolarHBondContact N-ND2 3.23Å; S150-N336 PolarHBondContact O-ND2 2.7Å; Y152-N336 PolarHBondContact O-ND2 3.09Å; Y152-N336 VanDerWaalsContact O-ND2 3.08Å; C153-N336 CarbonylContact C-O 3.54Å; C153-N336 WeakPolarHBondContact CA-O 3.36Å; C153-N336 HydrophobicContact CB-CB 3.67Å; C153-N336 VanDerWaalsContact CB-O 3.27Å; C153-N336 WeakPolarHBondContact CB-O 3.48Å; I154-N336 PolarHBondContact N-O 3.39Å; G332-N336 PolarHBondContact O-ND2 2.9Å; A333-N336 PolarHBondContact O-N 2.82Å; W334-N336 VanDerWaalsContact C-N 3.26Å; W334-N336 PolarHBondContact O-N 2.8Å
337F95.1Very high94.7Very high0 Ų024.4 Ų24.40%017%0.173CC..EExtended strand (participates in β ladder)trans-99.2139.2163.8-66-92000110.1I154 I156 I317 M321 W334 I357 N368 V369 F370I154-F337 HydrophobicContact CB-CD1 3.73Å; I154-F337 HydrophobicContact CB-CE1 3.87Å; I154-F337 HydrophobicContact CD1-CD1 4.39Å; I154-F337 HydrophobicContact CD1-CE1 3.64Å; I154-F337 HydrophobicContact CD1-CZ 4.11Å; I154-F337 HydrophobicContact CG1-CE1 4.29Å; I154-F337 HydrophobicContact CG2-CD1 3.94Å; I154-F337 HydrophobicContact CG2-CE1 4.04Å; I154-F337 WeakPolarHBondContact O-CA 3.44Å; I156-F337 HydrophobicContact CD1-CD1 3.99Å; I317-F337 HydrophobicContact CG2-CE1 3.74Å; I317-F337 HydrophobicContact CG2-CZ 3.98Å; M321-F337 HydrophobicContact CE-CE1 4.46Å; M321-F337 HydrophobicContact CE-CE2 4.32Å; M321-F337 HydrophobicContact CE-CZ 3.65Å; W334-F337 AromaticContact CE3-CE2 3.79Å; W334-F337 HydrophobicContact CE3-CE2 3.79Å; W334-F337 AromaticContact CE3-CZ 3.74Å; W334-F337 HydrophobicContact CE3-CZ 3.74Å; W334-F337 HydrophobicContact CZ3-CE2 4.4Å; W334-F337 HydrophobicContact CZ3-CZ 4.02Å; W334-F337 WeakPolarHBondContact O-CD2 3.37Å; W334-F337 VanDerWaalsContact O-CE2 3.29Å; W334-F337 WeakPolarHBondContact O-CE2 3.39Å; F337-I357 HydrophobicContact CD1-CD1 3.89Å; F337-I357 HydrophobicContact CD2-CD1 4.09Å; F337-I357 HydrophobicContact CD2-CG2 4.21Å; F337-I357 HydrophobicContact CE1-CD1 3.87Å; F337-I357 HydrophobicContact CE2-CD1 4.06Å; F337-I357 HydrophobicContact CE2-CG2 3.62Å; F337-I357 HydrophobicContact CG-CD1 3.99Å; F337-I357 HydrophobicContact CZ-CD1 3.95Å; F337-I357 HydrophobicContact CZ-CG2 4.02Å; F337-N368 WeakPolarHBondContact CB-O 3.39Å; F337-N368 PolarHBondContact N-O 3.18Å; F337-V369 HydrophobicContact CB-CG2 4.14Å; F337-F370 PolarHBondContact O-N 3Å
338M94.2Very high94.9Very high0 Ų021.3 Ų21.30%015%0.15CC..EExtended strand (participates in β ladder)trans-122.6132.3169.4175171.566.100109.3Y141 I154 V155 I156 F370 Y378Y141-M338 HydrophobicContact CD2-SD 4.11Å; Y141-M338 HydrophobicContact CG-SD 3.89Å; I154-M338 PolarHBondContact O-N 3.48Å; V155-M338 CarbonylContact C-O 3.35Å; V155-M338 WeakPolarHBondContact CA-O 3.18Å; V155-M338 HydrophobicContact CB-CE 4.21Å; V155-M338 HydrophobicContact CG1-CE 3.69Å; V155-M338 HydrophobicContact CG2-CE 3.54Å; I156-M338 PolarHBondContact N-O 3.3Å; M338-F370 CarbonylContact C-O 3.58Å; M338-F370 WeakPolarHBondContact CA-O 3.47Å; M338-F370 HydrophobicContact CG-CD1 4.02Å; M338-F370 HydrophobicContact SD-CD1 4.26Å; M338-Y378 HydrophobicContact CE-CE1 4.34Å; M338-Y378 HydrophobicContact SD-CD1 4.14Å; M338-Y378 HydrophobicContact SD-CE1 3.46Å; M338-Y378 WeakPolarHBondContact SD-CE1 2.97Å
339V96Very high95.2Very high0 Ų017.5 Ų17.50%012%0.118CC..EExtended strand (participates in β ladder)trans-110.2130.9178.3-170.30000109.8I156 A344 F349 L353 V369 F370 P372I156-V339 HydrophobicContact CD1-CG2 4.5Å; I156-V339 CarbonylContact O-C 3.59Å; I156-V339 WeakPolarHBondContact O-CA 3.35Å; V339-A344 HydrophobicContact CG1-CB 3.55Å; V339-F349 HydrophobicContact CG1-CD1 3.74Å; V339-F349 HydrophobicContact CG1-CE1 3.33Å; V339-F349 HydrophobicContact CG1-CZ 4.27Å; V339-F349 HydrophobicContact CG2-CE1 4.48Å; V339-L353 HydrophobicContact CG2-CD2 3.37Å; V339-V369 HydrophobicContact CG2-CG1 3.62Å; V339-F370 PolarHBondContact N-O 2.77Å; V339-P372 WeakPolarHBondContact O-CD 3.45Å
340M95.7Very high95.3Very high5 Ų517.4 Ų17.43%0.02512%0.119CC..EExtended strand (participates in β ladder)trans-141.5175178.864.3166.1-74.100111.7P133 S137 V155 I156 D157 S158 A379P133-M340 HydrophobicContact CB-CE 3.8Å; S137-M340 PolarHBondContact OG-SD 3.28Å; V155-M340 HydrophobicContact CG1-CG 3.96Å; V155-M340 HydrophobicContact CG1-SD 3.77Å; I156-M340 PolarHBondContact O-N 3.5Å; D157-M340 HydrophobicContact CB-CE 4.41Å; D157-M340 HydrophobicContact CB-CG 3.91Å; D157-M340 HydrophobicContact CB-SD 4.18Å; S158-M340 PolarHBondContact N-O 3.01Å; M340-A379 HydrophobicContact CE-CB 4.11Å
341G94.9Very high95.4Very high7 Ų719.7 Ų19.77%0.07213%0.13CC..SBendtrans94.8173.7-179.600000113.3S158 N343 A344 P375S158-G341 CarbonylContact O-C 3.53Å; S158-G341 WeakPolarHBondContact O-CA 3.43Å; G341-N343 PolarHBondContact O-N 3.15Å; G341-A344 WeakPolarHBondContact O-CB 3.26Å; G341-A344 PolarHBondContact O-N 3.31Å; G341-P375 PolarHBondContact N-O 2.96Å
342G94.8Very high95.6Very high37 Ų3717.6 Ų17.638%0.38111%0.114SC..G310 helixtrans-66-35.5-173.400000114.3S158 A344 C345S158-G342 PolarHBondContact O-N 3.01Å; G342-A344 VanDerWaalsContact C-N 3.26Å; G342-A344 PolarHBondContact O-N 3.46Å; G342-C345 VanDerWaalsContact O-CB 3.32Å; G342-C345 WeakPolarHBondContact O-CB 3.17Å; G342-C345 PolarHBondContact O-N 2.97Å
343N97.1Very high95.9Very high5 Ų517.2 Ų17.23%0.02711%0.111CC..G310 helixtrans-74.9-19.5-179.5-53.9-39.5000112.1S158 G159 G185 I300 G341 C345 F346 F349S158-N343 PolarHBondContact O-N 3.23Å; S158-N343 PolarHBondContact O-ND2 3.4Å; S158-N343 WeakPolarHBondContact OG-CB 3.37Å; S158-N343 PolarHBondContact OG-ND2 3Å; G159-N343 PolarHBondContact O-ND2 2.94Å; G185-N343 WeakPolarHBondContact CA-OD1 3.26Å; G185-N343 PolarHBondContact N-ND2 2.78Å; I300-N343 HydrophobicContact CD1-CB 3.99Å; G341-N343 PolarHBondContact O-N 3.15Å; N343-C345 PolarHBondContact O-N 3.45Å; N343-F346 HydrophobicContact CB-CD2 4.07Å; N343-F346 HydrophobicContact CB-CE2 4.02Å; N343-F346 WeakPolarHBondContact O-CB 3.32Å; N343-F346 WeakPolarHBondContact O-CD2 3.44Å; N343-F346 PolarHBondContact O-N 3.05Å; N343-F346 VanDerWaalsContact O-N 3.1Å; N343-F349 HydrophobicContact CB-CE2 4.48Å; N343-F349 WeakPolarHBondContact O-CD2 3.47Å
344A96.6Very high96Very high0 Ų021.4 Ų21.40%013%0.13CC..G310 helixtrans-64.9-17.6173.600000112.5V339 G341 G342 F346 K371 P375V339-A344 HydrophobicContact CG1-CB 3.55Å; G341-A344 WeakPolarHBondContact O-CB 3.26Å; G341-A344 PolarHBondContact O-N 3.31Å; G342-A344 VanDerWaalsContact C-N 3.26Å; G342-A344 PolarHBondContact O-N 3.46Å; A344-F346 PolarHBondContact O-N 3.45Å; A344-K371 WeakPolarHBondContact O-CD 3.33Å; A344-P375 HydrophobicContact CB-CB 3.73Å; A344-P375 HydrophobicContact CB-CG 4.23Å
345C96.8Very high96.1Very high64 Ų6425.6 Ų25.643%0.43215%0.149SC..G310 helixtrans-73.1-12.5174.4-61.40000113.1G342 N343G342-C345 VanDerWaalsContact O-CB 3.32Å; G342-C345 WeakPolarHBondContact O-CB 3.17Å; G342-C345 PolarHBondContact O-N 2.97Å; N343-C345 PolarHBondContact O-N 3.45Å
346F97.6Very high96.2Very high11 Ų1126.8 Ų26.85%0.04816%0.155CC..SBendtrans-60130.9174.4-75.1-54.1000110.7L188 K214 C218 V220 P297 N343 A344 G348 F349L188-F346 HydrophobicContact CD1-CE2 3.81Å; L188-F346 HydrophobicContact CD1-CZ 4.31Å; K214-F346 HydrophobicContact CD-CZ 4.02Å; K214-F346 HydrophobicContact CG-CE1 4.26Å; K214-F346 HydrophobicContact CG-CZ 4.02Å; C218-F346 HydrophobicContact CB-CD1 4.15Å; C218-F346 HydrophobicContact CB-CE1 3.62Å; C218-F346 HydrophobicContact CB-CZ 4.39Å; C218-F346 WeakPolarHBondContact O-CD1 3.44Å; V220-F346 HydrophobicContact CG2-CB 3.95Å; V220-F346 HydrophobicContact CG2-CD2 4.49Å; V220-F346 HydrophobicContact CG2-CG 4.49Å; P297-F346 HydrophobicContact CB-CD2 4.38Å; P297-F346 HydrophobicContact CB-CE2 4.44Å; P297-F346 HydrophobicContact CG-CD1 4.5Å; P297-F346 HydrophobicContact CG-CE1 4.34Å; P297-F346 HydrophobicContact CG-CE2 4.4Å; P297-F346 HydrophobicContact CG-CZ 4.29Å; N343-F346 HydrophobicContact CB-CD2 4.07Å; N343-F346 HydrophobicContact CB-CE2 4.02Å; N343-F346 WeakPolarHBondContact O-CB 3.32Å; N343-F346 WeakPolarHBondContact O-CD2 3.44Å; N343-F346 PolarHBondContact O-N 3.05Å; N343-F346 VanDerWaalsContact O-N 3.1Å; A344-F346 PolarHBondContact O-N 3.45Å; F346-G348 PolarHBondContact O-N 3.01Å; F346-F349 HydrophobicContact CB-CB 4.29Å; F346-F349 VanDerWaalsContact O-CB 3.3Å; F346-F349 WeakPolarHBondContact O-CB 3.39Å; F346-F349 PolarHBondContact O-N 3.42Å
347P97.7Very high96.3Very high78 Ų7826.8 Ų26.851%0.50616%0.155SC..THydrogen-bonded Turntrans-56.7137.4170.4-22.432.7000110.3Y219 V220 F349Y219-P347 WeakPolarHBondContact CB-O 3.38Å; V220-P347 PolarHBondContact N-O 3.43Å; P347-F349 VanDerWaalsContact C-N 3.29Å; P347-F349 PolarHBondContact O-N 3.29Å
348G97.1Very high96.3Very high16 Ų1630.6 Ų30.617%0.16517%0.169CC..THydrogen-bonded Turntrans82.6-6.6-179.300000115.5F346 E351 R352F346-G348 PolarHBondContact O-N 3.01Å; G348-E351 WeakPolarHBondContact CA-OE2 3.3Å; G348-E351 PolarHBondContact N-OE2 2.84Å; G348-E351 PolarHBondContact O-N 3.25Å; G348-R352 VanDerWaalsContact O-CB 3.26Å; G348-R352 WeakPolarHBondContact O-CB 3.37Å; G348-R352 PolarHBondContact O-N 2.73Å
349F98Very high96.3Very high0 Ų036 Ų360%020%0.202CC..Hα-helixtrans-61.2-51.1-176.7-172.7-74.9000111.9V220 I300 L313 V339 N343 F346 P347 L353V220-F349 HydrophobicContact CB-CB 4.46Å; V220-F349 HydrophobicContact CG2-CB 4.11Å; V220-F349 HydrophobicContact CG2-CD2 3.87Å; V220-F349 HydrophobicContact CG2-CG 4.41Å; I300-F349 HydrophobicContact CD1-CD2 4.44Å; I300-F349 HydrophobicContact CD1-CE2 3.84Å; I300-F349 HydrophobicContact CG2-CE2 4.25Å; L313-F349 HydrophobicContact CD2-CE1 4.25Å; L313-F349 HydrophobicContact CD2-CZ 3.69Å; V339-F349 HydrophobicContact CG1-CD1 3.74Å; V339-F349 HydrophobicContact CG1-CE1 3.33Å; V339-F349 HydrophobicContact CG1-CZ 4.27Å; V339-F349 HydrophobicContact CG2-CE1 4.48Å; N343-F349 HydrophobicContact CB-CE2 4.48Å; N343-F349 WeakPolarHBondContact O-CD2 3.47Å; F346-F349 HydrophobicContact CB-CB 4.29Å; F346-F349 VanDerWaalsContact O-CB 3.3Å; F346-F349 WeakPolarHBondContact O-CB 3.39Å; F346-F349 PolarHBondContact O-N 3.42Å; P347-F349 VanDerWaalsContact C-N 3.29Å; P347-F349 PolarHBondContact O-N 3.29Å; F349-L353 HydrophobicContact CE1-CD2 4.3Å; F349-L353 VanDerWaalsContact O-CB 3.28Å; F349-L353 WeakPolarHBondContact O-CB 3.31Å; F349-L353 PolarHBondContact O-N 2.98Å
350A96.5Very high96.1Very high9 Ų938.8 Ų38.87%0.07422%0.215CC..Hα-helixtrans-69.1-37.3-177.900000111.3L353 Q354 V369 K371A350-L353 PolarHBondContact O-N 2.78Å; A350-Q354 VanDerWaalsContact O-CB 3.26Å; A350-Q354 WeakPolarHBondContact O-CB 3.3Å; A350-Q354 PolarHBondContact O-N 2.75Å; A350-V369 HydrophobicContact CB-CG1 4.42Å; A350-K371 HydrophobicContact CB-CB 4.03Å; A350-K371 HydrophobicContact CB-CD 4.18Å
351E97.2Very high96Very high98 Ų9838.8 Ų38.846%0.45822%0.216SC..Hα-helixtrans-66.4-45.6-180-62.180.217700111.4T222 G348 K355T222-E351 HydrophobicContact CG2-CB 3.93Å; G348-E351 WeakPolarHBondContact CA-OE2 3.3Å; G348-E351 PolarHBondContact N-OE2 2.84Å; G348-E351 PolarHBondContact O-N 3.25Å; E351-K355 WeakPolarHBondContact O-CB 3.26Å; E351-K355 PolarHBondContact O-N 2.66Å
352R97.2Very high95.9Very high15 Ų1541.2 Ų41.26%0.05723%0.231CC..Hα-helixtrans-62-47.6173.6172.659.4179.5-73.3-8.9110.7V220 S221 T222 E298 F301 H302 G348 Q354 K355 D356V220-R352 HydrophobicContact CG1-CB 3.52Å; V220-R352 HydrophobicContact CG1-CG 3.67Å; S221-R352 WeakPolarHBondContact O-CD 3.41Å; S221-R352 PolarHBondContact O-NH1 2.94Å; T222-R352 HydrophobicContact CG2-CB 4.35Å; E298-R352 IonicContact OE1-CZ 3.72Å; E298-R352 IonicContact OE1-NH1 3.32Å; E298-R352 PolarHBondContact OE1-NH1 3.36Å; E298-R352 IonicContact OE1-NH2 2.66Å; E298-R352 PolarHBondContact OE1-NH2 2.85Å; E298-R352 IonicContact OE2-CZ 3.4Å; E298-R352 IonicContact OE2-NH1 3.25Å; E298-R352 PolarHBondContact OE2-NH1 2.85Å; E298-R352 IonicContact OE2-NH2 3.55Å; F301-R352 HydrophobicContact CD1-CG 4.35Å; F301-R352 HydrophobicContact CE1-CG 3.83Å; F301-R352 HydrophobicContact CE2-CG 4.19Å; F301-R352 HydrophobicContact CZ-CB 4.38Å; F301-R352 HydrophobicContact CZ-CG 3.74Å; H302-R352 PolarHBondContact CE1-NH2 3.23Å; G348-R352 VanDerWaalsContact O-CB 3.26Å; G348-R352 WeakPolarHBondContact O-CB 3.37Å; G348-R352 PolarHBondContact O-N 2.73Å; R352-Q354 PolarHBondContact O-N 3.41Å; R352-K355 PolarHBondContact O-N 2.84Å; R352-D356 IonicContact CZ-OD2 2.68Å; R352-D356 VanDerWaalsContact NE-CG 3.34Å; R352-D356 IonicContact NE-OD1 3.3Å; R352-D356 PolarHBondContact NE-OD1 3.44Å; R352-D356 IonicContact NE-OD2 2.77Å; R352-D356 PolarHBondContact NE-OD2 3.17Å; R352-D356 IonicContact NH2-OD2 3.14Å; R352-D356 PolarHBondContact NH2-OD2 2.65Å; R352-D356 PolarHBondContact O-N 3.32Å
353L96.9Very high95.7Very high0 Ų047 Ų470%025%0.253CS..Hα-helixtrans-61.4-44.5179.7-176.267.2000111.8I156 L313 T314 I317 V339 F349 A350 K355 D356 I357 V369I156-L353 HydrophobicContact CD1-CD1 4.37Å; I156-L353 HydrophobicContact CD1-CD2 3.56Å; L313-L353 HydrophobicContact CD2-CD1 4Å; L313-L353 HydrophobicContact CG-CD1 4.19Å; T314-L353 HydrophobicContact CG2-CD1 4.05Å; I317-L353 HydrophobicContact CD1-CD1 3.84Å; V339-L353 HydrophobicContact CG2-CD2 3.37Å; F349-L353 HydrophobicContact CE1-CD2 4.3Å; F349-L353 VanDerWaalsContact O-CB 3.28Å; F349-L353 WeakPolarHBondContact O-CB 3.31Å; F349-L353 PolarHBondContact O-N 2.98Å; A350-L353 PolarHBondContact O-N 2.78Å; L353-K355 PolarHBondContact O-N 2.93Å; L353-D356 PolarHBondContact O-N 3.36Å; L353-I357 HydrophobicContact CD1-CD1 3.7Å; L353-I357 HydrophobicContact CD1-CG1 4.11Å; L353-I357 HydrophobicContact CD2-CD1 4.26Å; L353-I357 HydrophobicContact CG-CD1 3.64Å; L353-I357 HydrophobicContact CG-CG1 4.34Å; L353-I357 VanDerWaalsContact O-CB 3.25Å; L353-I357 WeakPolarHBondContact O-CB 3.45Å; L353-I357 VanDerWaalsContact O-CG1 3.26Å; L353-I357 WeakPolarHBondContact O-CG1 3.5Å; L353-I357 PolarHBondContact O-N 3.05Å; L353-V369 HydrophobicContact CD2-CG1 3.93Å
354Q96.1Very high95.5Very high88 Ų8853 Ų5341%0.41129%0.285SS..Hα-helixtrans-62.8-42.6177.9-176.4169.6-1.500111.9A350 R352 R358 V369A350-Q354 VanDerWaalsContact O-CB 3.26Å; A350-Q354 WeakPolarHBondContact O-CB 3.3Å; A350-Q354 PolarHBondContact O-N 2.75Å; R352-Q354 PolarHBondContact O-N 3.41Å; Q354-R358 WeakPolarHBondContact O-CB 3.43Å; Q354-R358 PolarHBondContact O-N 2.82Å; Q354-V369 HydrophobicContact CB-CB 4.09Å; Q354-V369 HydrophobicContact CB-CG2 3.79Å; Q354-V369 HydrophobicContact CG-CG2 4.18Å
355K96Very high95.3Very high102 Ų10254.3 Ų54.344%0.44329%0.292SS..Hα-helixtrans-59.4-51.7175.4179-178.9172.9-178.60111.2T222 E351 R352 L353 R358 T359T222-K355 PolarHBondContact O-NZ 2.89Å; E351-K355 WeakPolarHBondContact O-CB 3.26Å; E351-K355 PolarHBondContact O-N 2.66Å; R352-K355 PolarHBondContact O-N 2.84Å; L353-K355 PolarHBondContact O-N 2.93Å; K355-R358 PolarHBondContact O-N 3.04Å; K355-T359 WeakPolarHBondContact O-CG2 3.46Å; K355-T359 PolarHBondContact O-N 3.24Å
356D95.7Very high95Very high27 Ų2754.2 Ų54.214%0.14429%0.29CS..Hα-helixtrans-70-34.5-175.6-71.810.1000112.5T314 R352 L353 T359 Q360T314-D356 HydrophobicContact CG2-CB 3.42Å; T314-D356 VanDerWaalsContact CG2-CB 3.42Å; R352-D356 IonicContact CZ-OD2 2.68Å; R352-D356 VanDerWaalsContact NE-CG 3.34Å; R352-D356 IonicContact NE-OD1 3.3Å; R352-D356 PolarHBondContact NE-OD1 3.44Å; R352-D356 IonicContact NE-OD2 2.77Å; R352-D356 PolarHBondContact NE-OD2 3.17Å; R352-D356 IonicContact NH2-OD2 3.14Å; R352-D356 PolarHBondContact NH2-OD2 2.65Å; R352-D356 PolarHBondContact O-N 3.32Å; L353-D356 PolarHBondContact O-N 3.36Å; D356-T359 PolarHBondContact O-OG1 3.18Å; D356-Q360 WeakPolarHBondContact O-CG 3.37Å
357I95.1Very high94.8Very high0 Ų054.8 Ų54.80%030%0.295CS..Hα-helixtrans-69.3-43.2174.7-76176.3000110.8I317 W334 F337 L353 T359 Q360 A361 V367 V369I317-I357 HydrophobicContact CD1-CD1 3.94Å; I317-I357 HydrophobicContact CD1-CG1 4.36Å; I317-I357 HydrophobicContact CG2-CG1 4.4Å; W334-I357 HydrophobicContact CE3-CG2 3.84Å; W334-I357 HydrophobicContact CZ3-CG2 3.72Å; F337-I357 HydrophobicContact CD1-CD1 3.89Å; F337-I357 HydrophobicContact CD2-CD1 4.09Å; F337-I357 HydrophobicContact CD2-CG2 4.21Å; F337-I357 HydrophobicContact CE1-CD1 3.87Å; F337-I357 HydrophobicContact CE2-CD1 4.06Å; F337-I357 HydrophobicContact CE2-CG2 3.62Å; F337-I357 HydrophobicContact CG-CD1 3.99Å; F337-I357 HydrophobicContact CZ-CD1 3.95Å; F337-I357 HydrophobicContact CZ-CG2 4.02Å; L353-I357 HydrophobicContact CD1-CD1 3.7Å; L353-I357 HydrophobicContact CD1-CG1 4.11Å; L353-I357 HydrophobicContact CD2-CD1 4.26Å; L353-I357 HydrophobicContact CG-CD1 3.64Å; L353-I357 HydrophobicContact CG-CG1 4.34Å; L353-I357 VanDerWaalsContact O-CB 3.25Å; L353-I357 WeakPolarHBondContact O-CB 3.45Å; L353-I357 VanDerWaalsContact O-CG1 3.26Å; L353-I357 WeakPolarHBondContact O-CG1 3.5Å; L353-I357 PolarHBondContact O-N 3.05Å; I357-T359 VanDerWaalsContact C-N 3.27Å; I357-T359 PolarHBondContact O-N 3.19Å; I357-Q360 PolarHBondContact O-N 3.27Å; I357-Q360 VanDerWaalsContact O-N 3.09Å; I357-A361 WeakPolarHBondContact O-CB 3.26Å; I357-A361 PolarHBondContact O-N 2.62Å; I357-V367 HydrophobicContact CB-CG1 4.38Å; I357-V367 HydrophobicContact CG2-CG1 3.43Å; I357-V367 VanDerWaalsContact CG2-CG1 3.43Å; I357-V367 HydrophobicContact CG2-CG2 4.27Å; I357-V369 HydrophobicContact CD1-CG2 4.26Å
358R94.9Very high94.6Very high81 Ų8153 Ų5331%0.30628%0.281SS..Hα-helixtrans-62.6-32.9-179.1-179.563-92.7177.9-2.6112.4Q354 K355 Q360 A361 P362 L365Q354-R358 WeakPolarHBondContact O-CB 3.43Å; Q354-R358 PolarHBondContact O-N 2.82Å; K355-R358 PolarHBondContact O-N 3.04Å; R358-Q360 VanDerWaalsContact C-N 3.29Å; R358-A361 PolarHBondContact NH2-O 3.46Å; R358-P362 PolarHBondContact NH2-O 3.26Å; R358-L365 PolarHBondContact NH1-O 2.89Å
359T94Very high94.4Very high114 Ų11452.8 Ų52.870%0.69928%0.276SS*.Hα-helixtrans-72.7-22176.355.40000113.2K355 D356 I357K355-T359 WeakPolarHBondContact O-CG2 3.46Å; K355-T359 PolarHBondContact O-N 3.24Å; D356-T359 PolarHBondContact O-OG1 3.18Å; I357-T359 VanDerWaalsContact C-N 3.27Å; I357-T359 PolarHBondContact O-N 3.19Å
360Q92.3Very high94.2Very high57 Ų5755.1 Ų55.127%0.26629%0.287SS..Hα-helixtrans-93.8-26.5178.1-64.2174.14.800113.1T314 W334 D356 I357 R358T314-Q360 PolarHBondContact O-NE2 3.39Å; T314-Q360 PolarHBondContact O-OE1 3.26Å; W334-Q360 HydrophobicContact CH2-CB 4.16Å; D356-Q360 WeakPolarHBondContact O-CG 3.37Å; I357-Q360 PolarHBondContact O-N 3.27Å; I357-Q360 VanDerWaalsContact O-N 3.09Å; R358-Q360 VanDerWaalsContact C-N 3.29Å
361A92.6Very high94.1Very high6 Ų658.3 Ų58.35%0.0530%0.299CS..SBendtrans-77.3143.4-176.500000112.2W334 I357 R358 V367W334-A361 HydrophobicContact CD2-CB 3.76Å; W334-A361 HydrophobicContact CE3-CB 3.62Å; W334-A361 HydrophobicContact CG-CB 4.37Å; W334-A361 HydrophobicContact CH2-CB 4.3Å; W334-A361 HydrophobicContact CZ2-CB 4.39Å; W334-A361 HydrophobicContact CZ3-CB 3.96Å; I357-A361 WeakPolarHBondContact O-CB 3.26Å; I357-A361 PolarHBondContact O-N 2.62Å; R358-A361 PolarHBondContact NH2-O 3.46Å; A361-V367 HydrophobicContact CB-CG2 3.43Å; A361-V367 VanDerWaalsContact CB-CG2 3.43Å
362P92.8Very high94Very high58 Ų5853.7 Ų53.738%0.37728%0.277SS..  trans-53.9137.1172-25.934.6000113.1R358 D364 L365R358-P362 PolarHBondContact NH2-O 3.26Å; P362-D364 WeakPolarHBondContact CB-OD1 3.17Å; P362-D364 PolarHBondContact O-N 2.75Å; P362-D364 VanDerWaalsContact O-N 3.13Å; P362-L365 HydrophobicContact CB-CD1 4.17Å; P362-L365 HydrophobicContact CB-CG 4.21Å; P362-L365 HydrophobicContact CG-CD1 3.96Å; P362-L365 PolarHBondContact O-N 3.31Å
363D91.7Very high93.7Very high158 Ų15858.4 Ų58.485%0.84531%0.31SS*.THydrogen-bonded Turntrans-57-30.2-173.2-68.2-24.5000114
364D92Very high93.6Very high131 Ų13162.1 Ų62.170%0.70133%0.33SS*.THydrogen-bonded Turntrans-77.3-20.9-179.563.2-58.3000113.8P362P362-D364 WeakPolarHBondContact CB-OD1 3.17Å; P362-D364 PolarHBondContact O-N 2.75Å; P362-D364 VanDerWaalsContact O-N 3.13Å
365L92Very high93.6Very high28 Ų2858.3 Ų58.315%0.14731%0.312CS..SBendtrans-91135.3-175.9-63.9-178000111.5P331 W334 R358 P362P331-L365 HydrophobicContact CB-CD1 4.36Å; P331-L365 HydrophobicContact CB-CD2 3.87Å; W334-L365 HydrophobicContact CB-CD1 4.47Å; W334-L365 HydrophobicContact CG-CD1 4.27Å; R358-L365 PolarHBondContact NH1-O 2.89Å; P362-L365 HydrophobicContact CB-CD1 4.17Å; P362-L365 HydrophobicContact CB-CG 4.21Å; P362-L365 HydrophobicContact CG-CD1 3.96Å; P362-L365 PolarHBondContact O-N 3.31Å
366P91.9Very high93.5Very high62 Ų6256.6 Ų56.640%0.40331%0.306SS..  trans-68.2145.3171.828.4-32000110.3L149 W334 A335L149-P366 HydrophobicContact CD1-CB 3.9Å; L149-P366 HydrophobicContact CD1-CG 3.67Å; W334-P366 CarbonylContact C-O 3.54Å; A335-P366 VanDerWaalsContact CA-O 3.24Å; A335-P366 WeakPolarHBondContact CA-O 3.46Å; A335-P366 HydrophobicContact CB-CG 3.98Å; A335-P366 PolarHBondContact N-O 3.03Å
367V92.9Very high93.6Very high22 Ų2256 Ų5613%0.13330%0.303CS..  trans-124.8122174.4168.70000108.2W334 I357 A361W334-V367 WeakPolarHBondContact O-CA 3.24Å; I357-V367 HydrophobicContact CB-CG1 4.38Å; I357-V367 HydrophobicContact CG2-CG1 3.43Å; I357-V367 VanDerWaalsContact CG2-CG1 3.43Å; I357-V367 HydrophobicContact CG2-CG2 4.27Å; A361-V367 HydrophobicContact CB-CG2 3.43Å; A361-V367 VanDerWaalsContact CB-CG2 3.43Å
368N92.6Very high93.6Very high41 Ų4156.1 Ų56.122%0.21930%0.304CS..  trans-128.3131.9175.2-17329.1000110.1A335 F337A335-N368 VanDerWaalsContact O-CB 3.25Å; A335-N368 WeakPolarHBondContact O-CB 3.17Å; F337-N368 WeakPolarHBondContact CB-O 3.39Å; F337-N368 PolarHBondContact N-O 3.18Å
369V94.4Very high93.7Very high12 Ų1252.3 Ų52.37%0.07329%0.29CS..EExtended strand (participates in β ladder)trans-116.7104.9173179.80000107.7F337 V339 A350 L353 Q354 I357F337-V369 HydrophobicContact CB-CG2 4.14Å; V339-V369 HydrophobicContact CG2-CG1 3.62Å; A350-V369 HydrophobicContact CB-CG1 4.42Å; L353-V369 HydrophobicContact CD2-CG1 3.93Å; Q354-V369 HydrophobicContact CB-CB 4.09Å; Q354-V369 HydrophobicContact CB-CG2 3.79Å; Q354-V369 HydrophobicContact CG-CG2 4.18Å; I357-V369 HydrophobicContact CD1-CG2 4.26Å
370F93.9Very high93.9Very high49 Ų4947 Ų4722%0.21526%0.257CS..EExtended strand (participates in β ladder)trans-88.7121.1176.1177.6-105.7000110.3Y141 F337 M338 V339 P372Y141-F370 AromaticContact CD2-CD1 3.42Å; Y141-F370 HydrophobicContact CD2-CD1 3.42Å; Y141-F370 VanDerWaalsContact CD2-CD1 3.42Å; Y141-F370 AromaticContact CD2-CE1 3.64Å; Y141-F370 HydrophobicContact CD2-CE1 3.64Å; Y141-F370 HydrophobicContact CD2-CG 4.04Å; Y141-F370 HydrophobicContact CD2-CZ 4.42Å; Y141-F370 HydrophobicContact CE2-CB 3.78Å; Y141-F370 AromaticContact CE2-CD1 3.41Å; Y141-F370 HydrophobicContact CE2-CD1 3.41Å; Y141-F370 VanDerWaalsContact CE2-CD1 3.41Å; Y141-F370 HydrophobicContact CE2-CD2 4.21Å; Y141-F370 AromaticContact CE2-CE1 4Å; Y141-F370 HydrophobicContact CE2-CE1 4Å; Y141-F370 AromaticContact CE2-CG 3.53Å; Y141-F370 HydrophobicContact CE2-CG 3.53Å; F337-F370 PolarHBondContact O-N 3Å; M338-F370 CarbonylContact C-O 3.58Å; M338-F370 WeakPolarHBondContact CA-O 3.47Å; M338-F370 HydrophobicContact CG-CD1 4.02Å; M338-F370 HydrophobicContact SD-CD1 4.26Å; V339-F370 PolarHBondContact N-O 2.77Å; F370-P372 HydrophobicContact CE1-CB 3.85Å; F370-P372 HydrophobicContact CE1-CG 4.44Å; F370-P372 HydrophobicContact CZ-CB 4.13Å
371K94.8Very high94.1Very high76 Ų7645.8 Ų45.833%0.3325%0.251SS..  trans-110.3116.7166.7-175-177.163.61630108.2A344 A350 P375A344-K371 WeakPolarHBondContact O-CD 3.33Å; A350-K371 HydrophobicContact CB-CB 4.03Å; A350-K371 HydrophobicContact CB-CD 4.18Å; K371-P375 HydrophobicContact CD-CG 4.15Å; K371-P375 HydrophobicContact CG-CG 3.81Å
372P93.6Very high94.2Very high1 Ų145.5 Ų45.51%0.00625%0.249CC..  trans-65.8160.3175.929.8-34.1000111.1V339 F370 N374 P375 Y378V339-P372 WeakPolarHBondContact O-CD 3.45Å; F370-P372 HydrophobicContact CE1-CB 3.85Å; F370-P372 HydrophobicContact CE1-CG 4.44Å; F370-P372 HydrophobicContact CZ-CB 4.13Å; P372-N374 VanDerWaalsContact C-N 3.3Å; P372-N374 PolarHBondContact O-N 3.04Å; P372-P375 HydrophobicContact CG-CB 4.37Å; P372-P375 HydrophobicContact CG-CG 4.35Å; P372-P375 VanDerWaalsContact O-CD 3.29Å; P372-P375 WeakPolarHBondContact O-CD 3.22Å; P372-P375 WeakPolarHBondContact O-CG 3.37Å; P372-Y378 HydrophobicContact CB-CD1 4.36Å; P372-Y378 HydrophobicContact CB-CD2 3.27Å; P372-Y378 HydrophobicContact CB-CE1 4.49Å; P372-Y378 HydrophobicContact CB-CE2 3.41Å; P372-Y378 VanDerWaalsContact CB-CE2 3.41Å; P372-Y378 HydrophobicContact CB-CG 3.78Å; P372-Y378 HydrophobicContact CG-CD1 4.07Å; P372-Y378 HydrophobicContact CG-CD2 3.75Å; P372-Y378 HydrophobicContact CG-CE1 4.49Å; P372-Y378 HydrophobicContact CG-CE2 4.16Å; P372-Y378 HydrophobicContact CG-CG 3.67Å
373P92.3Very high94.4Very high113 Ų11342.7 Ų42.773%0.73423%0.231SC*.SBendtrans-61.1-36.7-179.322.9-33.4000113P375P373-P375 WeakPolarHBondContact O-CD 3.23Å
374N94Very high94.6Very high79 Ų7936.1 Ų36.142%0.42220%0.196SC..  trans-120.276.9176.5-57.2-45.2000111.5P372 Q376 T377 Y378P372-N374 VanDerWaalsContact C-N 3.3Å; P372-N374 PolarHBondContact O-N 3.04Å; N374-Q376 PolarHBondContact O-N 3.45Å; N374-Q376 VanDerWaalsContact O-N 3.07Å; N374-T377 WeakPolarHBondContact CB-OG1 3.08Å; N374-T377 PolarHBondContact O-N 2.94Å; N374-T377 VanDerWaalsContact O-N 3.14Å; N374-T377 PolarHBondContact O-OG1 2.79Å; N374-Y378 WeakPolarHBondContact O-CB 3.28Å; N374-Y378 PolarHBondContact O-N 2.86Å
375P95.6Very high94.7Very high7 Ų731.7 Ų31.75%0.04517%0.172CC..THydrogen-bonded Turntrans-57.3-27.6-176.4-24.434.4000114.8G341 A344 K371 P372 P373G341-P375 PolarHBondContact N-O 2.96Å; A344-P375 HydrophobicContact CB-CB 3.73Å; A344-P375 HydrophobicContact CB-CG 4.23Å; K371-P375 HydrophobicContact CD-CG 4.15Å; K371-P375 HydrophobicContact CG-CG 3.81Å; P372-P375 HydrophobicContact CG-CB 4.37Å; P372-P375 HydrophobicContact CG-CG 4.35Å; P372-P375 VanDerWaalsContact O-CD 3.29Å; P372-P375 WeakPolarHBondContact O-CD 3.22Å; P372-P375 WeakPolarHBondContact O-CG 3.37Å; P373-P375 WeakPolarHBondContact O-CD 3.23Å
376Q95Very high94.8Very high67 Ų6730.4 Ų30.431%0.31317%0.166SC..THydrogen-bonded Turntrans-76.5-31.5-179.5-178.2179.7600113.6S14 N374S14-Q376 PolarHBondContact OG-NE2 3.24Å; N374-Q376 PolarHBondContact O-N 3.45Å; N374-Q376 VanDerWaalsContact O-N 3.07Å
377T96.6Very high94.9Very high14 Ų1428.4 Ų28.49%0.08615%0.153CC..THydrogen-bonded Turntrans-105.5-5.9-176.957.30000112.9K16 P25 I27 N374 A379 W380 E381K16-T377 HydrophobicContact CG-CG2 4.3Å; P25-T377 HydrophobicContact CG-CG2 3.63Å; I27-T377 HydrophobicContact CD1-CG2 3.94Å; I27-T377 HydrophobicContact CG1-CG2 4.32Å; N374-T377 WeakPolarHBondContact CB-OG1 3.08Å; N374-T377 PolarHBondContact O-N 2.94Å; N374-T377 VanDerWaalsContact O-N 3.14Å; N374-T377 PolarHBondContact O-OG1 2.79Å; T377-A379 VanDerWaalsContact C-N 3.28Å; T377-A379 PolarHBondContact O-N 2.94Å; T377-W380 WeakPolarHBondContact O-CA 3.39Å; T377-W380 WeakPolarHBondContact O-CB 3.47Å; T377-W380 PolarHBondContact O-N 2.95Å; T377-E381 PolarHBondContact O-N 2.71Å; T377-E381 PolarHBondContact OG1-OE1 3.33Å
378Y96.2Very high94.9Very high2 Ų234 Ų341%0.00818%0.177CC..Hα-helixtrans-57.6-35.7-171.9-165-108.2000114.2S137 K140 Y141 M338 P372 N374 E381 G382S137-Y378 VanDerWaalsContact O-CE1 3.3Å; S137-Y378 WeakPolarHBondContact O-CE1 3.44Å; K140-Y378 HydrophobicContact CB-CE1 4.24Å; K140-Y378 HydrophobicContact CD-CD2 3.79Å; K140-Y378 HydrophobicContact CD-CE1 4.39Å; K140-Y378 HydrophobicContact CD-CE2 3.4Å; K140-Y378 VanDerWaalsContact CD-CE2 3.4Å; K140-Y378 HydrophobicContact CD-CG 4.46Å; K140-Y378 HydrophobicContact CG-CE2 3.92Å; Y141-Y378 VanDerWaalsContact CA-OH 3.28Å; Y141-Y378 WeakPolarHBondContact CA-OH 3.4Å; Y141-Y378 PolarHBondContact N-OH 2.75Å; M338-Y378 HydrophobicContact CE-CE1 4.34Å; M338-Y378 HydrophobicContact SD-CD1 4.14Å; M338-Y378 HydrophobicContact SD-CE1 3.46Å; M338-Y378 WeakPolarHBondContact SD-CE1 2.97Å; P372-Y378 HydrophobicContact CB-CD1 4.36Å; P372-Y378 HydrophobicContact CB-CD2 3.27Å; P372-Y378 HydrophobicContact CB-CE1 4.49Å; P372-Y378 HydrophobicContact CB-CE2 3.41Å; P372-Y378 VanDerWaalsContact CB-CE2 3.41Å; P372-Y378 HydrophobicContact CB-CG 3.78Å; P372-Y378 HydrophobicContact CG-CD1 4.07Å; P372-Y378 HydrophobicContact CG-CD2 3.75Å; P372-Y378 HydrophobicContact CG-CE1 4.49Å; P372-Y378 HydrophobicContact CG-CE2 4.16Å; P372-Y378 HydrophobicContact CG-CG 3.67Å; N374-Y378 WeakPolarHBondContact O-CB 3.28Å; N374-Y378 PolarHBondContact O-N 2.86Å; Y378-E381 PolarHBondContact O-N 3.02Å; Y378-G382 PolarHBondContact O-N 2.96Å
379A96.2Very high94.8Very high1 Ų134.6 Ų34.61%0.00818%0.181CC..Hα-helixtrans-64.1-40.9174.300000112.4P133 L136 S137 M340 T377 G382 G383P133-A379 HydrophobicContact CB-CB 3.88Å; L136-A379 VanDerWaalsContact CB-O 3.24Å; L136-A379 WeakPolarHBondContact CB-O 3.49Å; S137-A379 WeakPolarHBondContact OG-CA 3.16Å; M340-A379 HydrophobicContact CE-CB 4.11Å; T377-A379 VanDerWaalsContact C-N 3.28Å; T377-A379 PolarHBondContact O-N 2.94Å; A379-G382 PolarHBondContact O-N 3.18Å; A379-G383 PolarHBondContact O-N 3.34Å
380W97.8Very high94.7Very high4 Ų440.6 Ų40.62%0.01521%0.208CC..Hα-helixtrans-65.4-44.2175.9-179.895.3000110.9I7 K16 G18 F19 D22 P25 T377 G382 G383 V384I7-W380 HydrophobicContact CG2-CG 4.11Å; I7-W380 PolarHBondContact O-NE1 2.85Å; K16-W380 HydrophobicContact CB-CB 4.25Å; G18-W380 PolarHBondContact O-NE1 3.21Å; F19-W380 WeakPolarHBondContact O-CZ2 3.39Å; D22-W380 HydrophobicContact CB-CH2 4.26Å; D22-W380 HydrophobicContact CB-CZ2 4.38Å; D22-W380 WeakPolarHBondContact O-CH2 3.4Å; P25-W380 HydrophobicContact CB-CB 4.44Å; P25-W380 HydrophobicContact CB-CD2 3.54Å; P25-W380 HydrophobicContact CB-CE3 3.94Å; P25-W380 HydrophobicContact CB-CG 3.74Å; P25-W380 HydrophobicContact CB-CZ2 4.26Å; P25-W380 HydrophobicContact CB-CZ3 4.45Å; P25-W380 VanDerWaalsContact CD-CE3 3.47Å; P25-W380 HydrophobicContact CG-CB 4.38Å; P25-W380 HydrophobicContact CG-CD2 3.81Å; P25-W380 HydrophobicContact CG-CE3 3.75Å; P25-W380 HydrophobicContact CG-CG 4.07Å; P25-W380 HydrophobicContact CG-CZ3 4.33Å; T377-W380 WeakPolarHBondContact O-CA 3.39Å; T377-W380 WeakPolarHBondContact O-CB 3.47Å; T377-W380 PolarHBondContact O-N 2.95Å; W380-G382 PolarHBondContact O-N 2.89Å; W380-G383 WeakPolarHBondContact O-CA 3.32Å; W380-G383 PolarHBondContact O-N 2.78Å; W380-V384 HydrophobicContact CD2-CG2 4.1Å; W380-V384 HydrophobicContact CE3-CG2 3.78Å; W380-V384 HydrophobicContact CH2-CG2 3.44Å; W380-V384 VanDerWaalsContact CH2-CG2 3.44Å; W380-V384 HydrophobicContact CZ2-CG2 3.75Å; W380-V384 HydrophobicContact CZ3-CG2 3.45Å; W380-V384 VanDerWaalsContact CZ3-CG2 3.45Å; W380-V384 PolarHBondContact O-N 3.41Å
381E96.5Very high94.6Very high30 Ų3044.8 Ų44.814%0.1423%0.233CC..Hα-helixtrans-60.7-35.6176.2-65.2173.3-150.500111.8K140 T377 Y378 V384 L385K140-E381 HydrophobicContact CD-CB 3.72Å; K140-E381 WeakPolarHBondContact CE-OE2 3.2Å; K140-E381 IonicContact NZ-OE2 2.77Å; K140-E381 PolarHBondContact NZ-OE2 2.79Å; T377-E381 PolarHBondContact O-N 2.71Å; T377-E381 PolarHBondContact OG1-OE1 3.33Å; Y378-E381 PolarHBondContact O-N 3.02Å; E381-V384 PolarHBondContact O-N 2.9Å; E381-L385 PolarHBondContact O-N 3.1Å; E381-L385 VanDerWaalsContact O-N 3.15Å
382G95.7Very high94.3Very high0 Ų042.9 Ų42.90%023%0.229CC..Hα-helixtrans-68.4-32.717200000113.8L136 Y378 A379 W380 L385 F386L136-G382 WeakPolarHBondContact O-CA 3.46Å; Y378-G382 PolarHBondContact O-N 2.96Å; A379-G382 PolarHBondContact O-N 3.18Å; W380-G382 PolarHBondContact O-N 2.89Å; G382-L385 PolarHBondContact O-N 3.19Å; G382-F386 VanDerWaalsContact O-CB 3.23Å; G382-F386 WeakPolarHBondContact O-CB 3.28Å; G382-F386 PolarHBondContact O-N 3.2Å
383G96.6Very high94.4Very high0 Ų043.4 Ų43.40%023%0.231CC..Hα-helixtrans-63.4-41.8169.700000112.9A379 W380 L385 F386 C387A379-G383 PolarHBondContact O-N 3.34Å; W380-G383 WeakPolarHBondContact O-CA 3.32Å; W380-G383 PolarHBondContact O-N 2.78Å; G383-L385 VanDerWaalsContact C-N 3.33Å; G383-L385 PolarHBondContact O-N 2.85Å; G383-F386 PolarHBondContact O-N 3.44Å; G383-C387 PolarHBondContact O-N 3.41Å; G383-C387 PolarHBondContact O-SG 3.3Å
384V96.3Very high94.5Very high20 Ų2042.3 Ų42.312%0.12122%0.219CC..Hα-helixtrans-58.1-48.3173.9175.70000110.6I7 S20 W380 E381 F386 C387I7-V384 HydrophobicContact CD1-CG2 4.08Å; S20-V384 WeakPolarHBondContact O-CG1 3.31Å; W380-V384 HydrophobicContact CD2-CG2 4.1Å; W380-V384 HydrophobicContact CE3-CG2 3.78Å; W380-V384 HydrophobicContact CH2-CG2 3.44Å; W380-V384 VanDerWaalsContact CH2-CG2 3.44Å; W380-V384 HydrophobicContact CZ2-CG2 3.75Å; W380-V384 HydrophobicContact CZ3-CG2 3.45Å; W380-V384 VanDerWaalsContact CZ3-CG2 3.45Å; W380-V384 PolarHBondContact O-N 3.41Å; E381-V384 PolarHBondContact O-N 2.9Å; V384-F386 VanDerWaalsContact C-N 3.35Å; V384-F386 PolarHBondContact O-N 3.27Å; V384-C387 WeakPolarHBondContact O-CB 3.2Å; V384-C387 PolarHBondContact O-N 3.39Å
385L94.4Very high94.5Very high38 Ų3844 Ų4420%0.19922%0.224CC..Hα-helixtrans-67.9-35.9-179.9-166.673.6000112.8Y139 K140 S143 E381 G382 G383 C387 Q388Y139-L385 HydrophobicContact CD1-CB 4.48Å; Y139-L385 HydrophobicContact CD1-CD2 4.3Å; Y139-L385 HydrophobicContact CD1-CG 4.48Å; Y139-L385 HydrophobicContact CE1-CB 4.42Å; Y139-L385 HydrophobicContact CE1-CD2 4.22Å; Y139-L385 HydrophobicContact CE1-CG 4.11Å; K140-L385 HydrophobicContact CG-CD2 4.5Å; S143-L385 VanDerWaalsContact CB-CD2 3.5Å; S143-L385 WeakPolarHBondContact OG-CD2 3.02Å; E381-L385 PolarHBondContact O-N 3.1Å; E381-L385 VanDerWaalsContact O-N 3.15Å; G382-L385 PolarHBondContact O-N 3.19Å; G383-L385 VanDerWaalsContact C-N 3.33Å; G383-L385 PolarHBondContact O-N 2.85Å; L385-C387 VanDerWaalsContact C-N 3.3Å; L385-C387 PolarHBondContact O-N 3.05Å; L385-Q388 WeakPolarHBondContact O-CB 3.36Å; L385-Q388 PolarHBondContact O-N 2.85Å; L385-Q388 VanDerWaalsContact O-N 3.16Å
386F94.7Very high94.5Very high1 Ų145.3 Ų45.30%0.00423%0.229CC..Hα-helixtrans-62.8-37.3175.6-179.8-101.2000111.8I100 I129 F135 L136 Y139 G382 G383 V384 Q388 N389 F393 F396I100-F386 HydrophobicContact CD1-CD1 3.78Å; I100-F386 HydrophobicContact CD1-CE1 4.39Å; I129-F386 HydrophobicContact CD1-CE1 3.87Å; F135-F386 HydrophobicContact CE1-CD2 4.18Å; F135-F386 AromaticContact CE1-CE2 3.84Å; F135-F386 HydrophobicContact CE1-CE2 3.84Å; F135-F386 HydrophobicContact CE1-CZ 4.14Å; F135-F386 AromaticContact CZ-CE2 3.93Å; F135-F386 HydrophobicContact CZ-CE2 3.93Å; F135-F386 HydrophobicContact CZ-CZ 4.38Å; L136-F386 HydrophobicContact CD2-CB 4.45Å; Y139-F386 HydrophobicContact CD1-CB 3.98Å; Y139-F386 HydrophobicContact CD1-CD2 4.34Å; Y139-F386 AromaticContact CD2-CD2 3.79Å; Y139-F386 HydrophobicContact CD2-CD2 3.79Å; Y139-F386 HydrophobicContact CD2-CE2 4.48Å; Y139-F386 HydrophobicContact CE1-CB 4.08Å; Y139-F386 HydrophobicContact CE1-CD2 4.33Å; Y139-F386 AromaticContact CE2-CD2 3.76Å; Y139-F386 HydrophobicContact CE2-CD2 3.76Å; Y139-F386 HydrophobicContact CE2-CE2 4.38Å; Y139-F386 HydrophobicContact CG-CB 4.4Å; Y139-F386 HydrophobicContact CG-CD2 4.09Å; G382-F386 VanDerWaalsContact O-CB 3.23Å; G382-F386 WeakPolarHBondContact O-CB 3.28Å; G382-F386 PolarHBondContact O-N 3.2Å; G383-F386 PolarHBondContact O-N 3.44Å; V384-F386 VanDerWaalsContact C-N 3.35Å; V384-F386 PolarHBondContact O-N 3.27Å; F386-Q388 PolarHBondContact O-N 3.07Å; F386-N389 PolarHBondContact O-N 3.02Å; F386-F393 HydrophobicContact CD1-CD2 4.02Å; F386-F393 HydrophobicContact CE1-CB 4.35Å; F386-F393 AromaticContact CE1-CD2 3.83Å; F386-F393 HydrophobicContact CE1-CD2 3.83Å; F386-F396 HydrophobicContact CE2-CD2 4.26Å; F386-F396 AromaticContact CZ-CD2 3.78Å; F386-F396 HydrophobicContact CZ-CD2 3.78Å
387C93.8Very high94.6Very high20 Ų2043 Ų4314%0.13522%0.219CC..Hα-helixtrans-63.4-24174.7-64.90000113.7T5 I100 G383 V384 L385 N389T5-C387 VanDerWaalsContact CG2-SG 3.59Å; I100-C387 WeakPolarHBondContact CD1-SG 3.36Å; G383-C387 PolarHBondContact O-N 3.41Å; G383-C387 PolarHBondContact O-SG 3.3Å; V384-C387 WeakPolarHBondContact O-CB 3.2Å; V384-C387 PolarHBondContact O-N 3.39Å; L385-C387 VanDerWaalsContact C-N 3.3Å; L385-C387 PolarHBondContact O-N 3.05Å; C387-N389 VanDerWaalsContact C-N 3.29Å
388Q92.1Very high94.7Very high138 Ų13842.3 Ų42.365%0.64521%0.214SC*.Hα-helixtrans-75.8-19.8179.7-62.3176.73.900112.7L385 F386L385-Q388 WeakPolarHBondContact O-CB 3.36Å; L385-Q388 PolarHBondContact O-N 2.85Å; L385-Q388 VanDerWaalsContact O-N 3.16Å; F386-Q388 PolarHBondContact O-N 3.07Å
389N91.6Very high94.7Very high55 Ų5544.6 Ų44.629%0.29423%0.229SC..  trans-96.891.4176.4-175.6-26.7000109.6Y139 F386 C387 D391 S392 F393Y139-N389 WeakPolarHBondContact OH-CB 3.45Å; Y139-N389 PolarHBondContact OH-ND2 3.35Å; F386-N389 PolarHBondContact O-N 3.02Å; C387-N389 VanDerWaalsContact C-N 3.29Å; N389-D391 VanDerWaalsContact C-N 3.3Å; N389-D391 PolarHBondContact O-N 2.77Å; N389-D391 PolarHBondContact OD1-N 2.92Å; N389-S392 PolarHBondContact ND2-OG 2.65Å; N389-S392 PolarHBondContact O-N 2.86Å; N389-S392 PolarHBondContact OD1-N 3.15Å; N389-S392 VanDerWaalsContact OD1-N 3.12Å; N389-S392 PolarHBondContact OD1-OG 3.43Å; N389-F393 VanDerWaalsContact O-CB 3.3Å; N389-F393 WeakPolarHBondContact O-CB 3.37Å; N389-F393 PolarHBondContact O-N 2.98Å
390E90.6Very high94.7Very high137 Ų13748.4 Ų48.464%0.6424%0.243SC*.Hα-helixtrans-57.7-39.2-175.7-66-171.9169.700112.9F393 N394E390-F393 PolarHBondContact O-N 2.68Å; E390-N394 WeakPolarHBondContact O-CB 3.45Å; E390-N394 PolarHBondContact O-N 3.14Å; E390-N394 PolarHBondContact O-ND2 2.98Å
391D91.6Very high94.7Very high138 Ų13854.8 Ų54.874%0.73827%0.271SS*.Hα-helixtrans-63.5-47.3-179.2-68.1-31.1000111.6N389 H395N389-D391 VanDerWaalsContact C-N 3.3Å; N389-D391 PolarHBondContact O-N 2.77Å; N389-D391 PolarHBondContact OD1-N 2.92Å; D391-H395 WeakPolarHBondContact O-CB 3.1Å; D391-H395 PolarHBondContact O-N 3.33Å; D391-H395 VanDerWaalsContact O-N 3.14Å
392S90.1Very high94.7Very high36 Ų3655.3 Ų55.325%0.25227%0.273SS..Hα-helixtrans-68.9-42.3178.5-60.20000110.9N389 H395 F396N389-S392 PolarHBondContact ND2-OG 2.65Å; N389-S392 PolarHBondContact O-N 2.86Å; N389-S392 PolarHBondContact OD1-N 3.15Å; N389-S392 VanDerWaalsContact OD1-N 3.12Å; N389-S392 PolarHBondContact OD1-OG 3.43Å; S392-H395 WeakPolarHBondContact O-CB 3.3Å; S392-H395 PolarHBondContact O-N 3.27Å; S392-F396 WeakPolarHBondContact O-CD2 3.42Å
393F94.4Very high94.8Very high12 Ų1256.3 Ų56.35%0.05328%0.277CS..Hα-helixtrans-60.7-51.3178.4-178.1-97.2000111.7T5 N98 I100 I129 F386 N389 E390 H395 F396 L397T5-F393 HydrophobicContact CG2-CE2 3.95Å; T5-F393 HydrophobicContact CG2-CZ 4.01Å; N98-F393 HydrophobicContact CB-CZ 3.92Å; I100-F393 HydrophobicContact CD1-CD2 4.3Å; I100-F393 HydrophobicContact CD1-CE2 3.94Å; I100-F393 HydrophobicContact CG1-CE2 4.02Å; I129-F393 HydrophobicContact CD1-CD2 3.63Å; I129-F393 HydrophobicContact CD1-CE2 3.53Å; I129-F393 HydrophobicContact CD1-CG 4.29Å; I129-F393 HydrophobicContact CD1-CZ 4.15Å; F386-F393 HydrophobicContact CD1-CD2 4.02Å; F386-F393 HydrophobicContact CE1-CB 4.35Å; F386-F393 AromaticContact CE1-CD2 3.83Å; F386-F393 HydrophobicContact CE1-CD2 3.83Å; N389-F393 VanDerWaalsContact O-CB 3.3Å; N389-F393 WeakPolarHBondContact O-CB 3.37Å; N389-F393 PolarHBondContact O-N 2.98Å; E390-F393 PolarHBondContact O-N 2.68Å; F393-H395 PolarHBondContact O-N 3.36Å; F393-F396 PolarHBondContact O-N 2.97Å; F393-L397 HydrophobicContact CD1-CD2 4.45Å; F393-L397 HydrophobicContact CE1-CB 4.46Å; F393-L397 HydrophobicContact CE1-CD1 4.03Å; F393-L397 HydrophobicContact CE1-CD2 3.84Å; F393-L397 HydrophobicContact CE1-CG 4.34Å; F393-L397 HydrophobicContact CZ-CD1 3.94Å; F393-L397 WeakPolarHBondContact O-CB 3.15Å; F393-L397 PolarHBondContact O-N 2.71Å
394N94.7Very high94.8Very high89 Ų8962.5 Ų62.548%0.47631%0.306SS..Hα-helixtrans-66.1-25.4-179.3-69.5-31.5000113.1E390 F396E390-N394 WeakPolarHBondContact O-CB 3.45Å; E390-N394 PolarHBondContact O-N 3.14Å; E390-N394 PolarHBondContact O-ND2 2.98Å; N394-F396 VanDerWaalsContact C-N 3.35Å
395H94.5Very high94.9Very high116 Ų11667.7 Ų67.754%0.53733%0.329SS..Hα-helixtrans-63-42.2174.9-177.275.2000112.3D391 S392 F393 R414D391-H395 WeakPolarHBondContact O-CB 3.1Å; D391-H395 PolarHBondContact O-N 3.33Å; D391-H395 VanDerWaalsContact O-N 3.14Å; S392-H395 WeakPolarHBondContact O-CB 3.3Å; S392-H395 PolarHBondContact O-N 3.27Å; F393-H395 PolarHBondContact O-N 3.36Å; H395-R414 PolarHBondContact O-NH1 2.9Å
396F95.9Very high94.9Very high34 Ų3470.2 Ų70.215%0.14934%0.34CS..Hα-helixtrans-95.9-16-175.5-66.6-69.8000113.7I129 F135 F386 S392 F393 N394 R414 P416I129-F396 HydrophobicContact CD1-CB 4.27Å; I129-F396 HydrophobicContact CG2-CB 4.4Å; F135-F396 HydrophobicContact CZ-CD2 4.5Å; F135-F396 HydrophobicContact CZ-CE2 4.1Å; F135-F396 HydrophobicContact CZ-CZ 4.47Å; F386-F396 HydrophobicContact CE2-CD2 4.26Å; F386-F396 AromaticContact CZ-CD2 3.78Å; F386-F396 HydrophobicContact CZ-CD2 3.78Å; S392-F396 WeakPolarHBondContact O-CD2 3.42Å; F393-F396 PolarHBondContact O-N 2.97Å; N394-F396 VanDerWaalsContact C-N 3.35Å; F396-R414 WeakPolarHBondContact CD1-O 3.29Å; F396-P416 HydrophobicContact CB-CG 4.26Å; F396-P416 HydrophobicContact CD1-CB 3.74Å; F396-P416 VanDerWaalsContact CD1-CD 3.47Å; F396-P416 HydrophobicContact CD1-CG 3.71Å; F396-P416 HydrophobicContact CD2-CG 4.39Å; F396-P416 HydrophobicContact CE1-CB 3.66Å; F396-P416 HydrophobicContact CE1-CG 4.15Å; F396-P416 HydrophobicContact CG-CB 4.31Å; F396-P416 HydrophobicContact CG-CG 3.87Å; F396-P416 HydrophobicContact CZ-CB 4.12Å
397L96.9Very high94.9Very high17 Ų1771.4 Ų71.49%0.08935%0.352CS..  trans-64.4133.5178.5-173.668.8000111.5N98 I129 F393N98-L397 HydrophobicContact CB-CD1 4.29Å; I129-L397 HydrophobicContact CD1-CB 4.24Å; I129-L397 HydrophobicContact CD1-CD1 4.31Å; I129-L397 HydrophobicContact CG1-CB 4.31Å; I129-L397 HydrophobicContact CG1-CD1 3.99Å; F393-L397 HydrophobicContact CD1-CD2 4.45Å; F393-L397 HydrophobicContact CE1-CB 4.46Å; F393-L397 HydrophobicContact CE1-CD1 4.03Å; F393-L397 HydrophobicContact CE1-CD2 3.84Å; F393-L397 HydrophobicContact CE1-CG 4.34Å; F393-L397 HydrophobicContact CZ-CD1 3.94Å; F393-L397 WeakPolarHBondContact O-CB 3.15Å; F393-L397 PolarHBondContact O-N 2.71Å
398V97.7Very high94.8Very high0 Ų071.6 Ų71.60%035%0.354CS..EExtended strand (participates in β ladder)trans-114.6118.9165.1177.10000108.2F120 G127 L128 E402 Y410 R414 F415F120-V398 HydrophobicContact CZ-CB 4.35Å; F120-V398 HydrophobicContact CZ-CG1 4.09Å; F120-V398 WeakPolarHBondContact CZ-O 3.2Å; G127-V398 CarbonylContact C-O 3.54Å; G127-V398 WeakPolarHBondContact CA-O 3.36Å; L128-V398 PolarHBondContact N-O 2.97Å; L128-V398 PolarHBondContact O-N 2.97Å; L128-V398 VanDerWaalsContact O-N 3.09Å; V398-E402 HydrophobicContact CG1-CB 4.07Å; V398-Y410 HydrophobicContact CG1-CD1 3.87Å; V398-Y410 HydrophobicContact CG1-CE1 4Å; V398-Y410 HydrophobicContact CG2-CD1 4.13Å; V398-Y410 HydrophobicContact CG2-CE1 4.04Å; V398-R414 HydrophobicContact CG2-CB 3.45Å; V398-R414 VanDerWaalsContact CG2-CB 3.45Å; V398-R414 HydrophobicContact CG2-CG 3.81Å; V398-F415 HydrophobicContact CB-CE1 3.88Å; V398-F415 HydrophobicContact CB-CZ 4.22Å; V398-F415 HydrophobicContact CG2-CD1 4.25Å; V398-F415 HydrophobicContact CG2-CE1 3.6Å; V398-F415 HydrophobicContact CG2-CZ 4.22Å
399T97.2Very high94.9Very high51 Ų5168.8 Ų68.831%0.31335%0.349SS..EExtended strand (participates in β ladder)trans-73.9154.817662.70000110.8K401 E402 Y403T399-K401 PolarHBondContact O-N 3.19Å; T399-E402 PolarHBondContact N-OE2 2.88Å; T399-E402 PolarHBondContact O-N 3.39Å; T399-E402 VanDerWaalsContact O-N 3.08Å; T399-E402 VanDerWaalsContact OG1-CG 3.25Å; T399-E402 WeakPolarHBondContact OG1-CG 3.38Å; T399-E402 PolarHBondContact OG1-N 3.48Å; T399-E402 PolarHBondContact OG1-OE2 3.33Å; T399-Y403 PolarHBondContact O-N 3.22Å
400R96.4Very high95Very high81 Ų8167.5 Ų67.531%0.30634%0.341SS..Hα-helixtrans-55.8-39.4176.8-167.4176.772.9-150.61.3112.3F120 Q124 A126 Y403 E404F120-R400 HydrophobicContact CB-CG 4.42Å; F120-R400 HydrophobicContact CD1-CB 3.88Å; F120-R400 HydrophobicContact CD1-CG 3.86Å; F120-R400 HydrophobicContact CE1-CB 4.19Å; F120-R400 WeakPolarHBondContact O-CD 3.33Å; Q124-R400 PolarHBondContact O-NH1 3.07Å; A126-R400 PolarHBondContact O-N 2.96Å; R400-Y403 WeakPolarHBondContact O-CB 3.43Å; R400-Y403 PolarHBondContact O-N 3.09Å; R400-E404 WeakPolarHBondContact CG-OE1 3.26Å; R400-E404 IonicContact NE-OE1 3.96Å; R400-E404 PolarHBondContact NE-OE1 3.48Å; R400-E404 WeakPolarHBondContact O-CG 3.27Å; R400-E404 PolarHBondContact O-N 3.19Å
401K96.6Very high95.2Very high137 Ų13761 Ų6160%0.59631%0.31SS*.Hα-helixtrans-61.8-43.9176.1-176.3179173.6-177.50112.3T399 Y403 E404 E405T399-K401 PolarHBondContact O-N 3.19Å; K401-Y403 VanDerWaalsContact C-N 3.3Å; K401-Y403 PolarHBondContact O-N 3.39Å; K401-E404 PolarHBondContact O-N 3.5Å; K401-E405 WeakPolarHBondContact CE-OE1 3.31Å; K401-E405 IonicContact NZ-OE1 2.7Å; K401-E405 WeakPolarHBondContact O-CG 3.48Å; K401-E405 PolarHBondContact O-N 3.01Å
402E97.4Very high95.2Very high42 Ų4257 Ų5720%0.19629%0.287CS..Hα-helixtrans-64.6-36.6176.1-73.1169.111700112.1V398 T399 E405 Q406 Y410V398-E402 HydrophobicContact CG1-CB 4.07Å; T399-E402 PolarHBondContact N-OE2 2.88Å; T399-E402 PolarHBondContact O-N 3.39Å; T399-E402 VanDerWaalsContact O-N 3.08Å; T399-E402 VanDerWaalsContact OG1-CG 3.25Å; T399-E402 WeakPolarHBondContact OG1-CG 3.38Å; T399-E402 PolarHBondContact OG1-N 3.48Å; T399-E402 PolarHBondContact OG1-OE2 3.33Å; E402-E405 PolarHBondContact O-N 2.84Å; E402-Q406 WeakPolarHBondContact O-CB 3.36Å; E402-Q406 PolarHBondContact O-N 2.81Å; E402-Y410 HydrophobicContact CB-CD1 4.21Å; E402-Y410 HydrophobicContact CB-CE1 3.72Å; E402-Y410 HydrophobicContact CG-CE1 4.17Å; E402-Y410 PolarHBondContact OE1-OH 3.48Å
403Y97.6Very high95.3Very high20 Ų2063.7 Ų63.78%0.07831%0.312CS..Hα-helixtrans-64.2-46.8173.3170.9-102.3000111.9N116 F120 E121 T399 R400 K401 E405 Q406 G407N116-Y403 HydrophobicContact CB-CE2 3.81Å; F120-Y403 HydrophobicContact CB-CD1 3.51Å; F120-Y403 HydrophobicContact CB-CE1 3.63Å; F120-Y403 HydrophobicContact CB-CG 4.21Å; F120-Y403 HydrophobicContact CD1-CD1 4.44Å; F120-Y403 HydrophobicContact CD1-CG 4.49Å; F120-Y403 AromaticContact CD2-CD1 3.6Å; F120-Y403 HydrophobicContact CD2-CD1 3.6Å; F120-Y403 AromaticContact CD2-CD2 3.62Å; F120-Y403 HydrophobicContact CD2-CD2 3.62Å; F120-Y403 HydrophobicContact CD2-CE1 4.01Å; F120-Y403 HydrophobicContact CD2-CE2 4.02Å; F120-Y403 AromaticContact CD2-CG 3.37Å; F120-Y403 HydrophobicContact CD2-CG 3.37Å; F120-Y403 HydrophobicContact CE2-CD1 4.36Å; F120-Y403 AromaticContact CE2-CD2 3.81Å; F120-Y403 HydrophobicContact CE2-CD2 3.81Å; F120-Y403 AromaticContact CE2-CG 3.69Å; F120-Y403 HydrophobicContact CE2-CG 3.69Å; F120-Y403 AromaticContact CG-CD1 3.63Å; F120-Y403 HydrophobicContact CG-CD1 3.63Å; F120-Y403 HydrophobicContact CG-CD2 4.47Å; F120-Y403 HydrophobicContact CG-CE1 4.13Å; F120-Y403 AromaticContact CG-CG 3.81Å; F120-Y403 HydrophobicContact CG-CG 3.81Å; F120-Y403 HydrophobicContact CZ-CG 4.36Å; E121-Y403 HydrophobicContact CG-CE1 4.17Å; E121-Y403 PolarHBondContact OE1-OH 3.46Å; T399-Y403 PolarHBondContact O-N 3.22Å; R400-Y403 WeakPolarHBondContact O-CB 3.43Å; R400-Y403 PolarHBondContact O-N 3.09Å; K401-Y403 VanDerWaalsContact C-N 3.3Å; K401-Y403 PolarHBondContact O-N 3.39Å; Y403-E405 VanDerWaalsContact C-N 3.25Å; Y403-E405 PolarHBondContact O-N 3.06Å; Y403-Q406 PolarHBondContact O-N 3.18Å; Y403-G407 WeakPolarHBondContact O-CA 3.3Å; Y403-G407 PolarHBondContact O-N 3.19Å
404E96.7Very high95.3Very high131 Ų13167 Ų6761%0.61232%0.324SS*.Hα-helixtrans-59.7-35.7176.8-71.8166.7-169.900112R400 K401R400-E404 WeakPolarHBondContact CG-OE1 3.26Å; R400-E404 IonicContact NE-OE1 3.96Å; R400-E404 PolarHBondContact NE-OE1 3.48Å; R400-E404 WeakPolarHBondContact O-CG 3.27Å; R400-E404 PolarHBondContact O-N 3.19Å; K401-E404 PolarHBondContact O-N 3.5Å
405E97.1Very high95.3Very high128 Ų12863 Ų6360%0.59830%0.302SS*.Hα-helixtrans-81.8-34.6-179.1-72176.6-179.100114K401 E402 Y403K401-E405 WeakPolarHBondContact CE-OE1 3.31Å; K401-E405 IonicContact NZ-OE1 2.7Å; K401-E405 WeakPolarHBondContact O-CG 3.48Å; K401-E405 PolarHBondContact O-N 3.01Å; E402-E405 PolarHBondContact O-N 2.84Å; Y403-E405 VanDerWaalsContact C-N 3.25Å; Y403-E405 PolarHBondContact O-N 3.06Å
406Q95.9Very high95.1Very high92 Ų9258.1 Ų58.143%0.4328%0.281SS..Hα-helixtrans-120.9-12.4-169-53.4-173.444.700114.8E402 Y403 Y410E402-Q406 WeakPolarHBondContact O-CB 3.36Å; E402-Q406 PolarHBondContact O-N 2.81Å; Y403-Q406 PolarHBondContact O-N 3.18Å; Q406-Y410 HydrophobicContact CB-CD1 4.38Å; Q406-Y410 HydrophobicContact CB-CD2 4.48Å; Q406-Y410 HydrophobicContact CB-CG 3.93Å; Q406-Y410 HydrophobicContact CG-CG 4.44Å
407G93.8Very high94.4Very high25 Ų2557.1 Ų57.126%0.25828%0.278SS..  trans68.4-174178.400000115.2Y403 S409 Y410Y403-G407 WeakPolarHBondContact O-CA 3.3Å; Y403-G407 PolarHBondContact O-N 3.19Å; G407-S409 PolarHBondContact O-N 3.38Å; G407-S409 VanDerWaalsContact O-N 3.08Å; G407-Y410 WeakPolarHBondContact O-CB 3.42Å; G407-Y410 PolarHBondContact O-N 3.4Å; G407-Y410 VanDerWaalsContact O-N 3.08Å
408S93.1Very high92.7Very high25 Ų2560.7 Ų60.718%0.17530%0.304CS..Hα-helixtrans-56.3-27.5-176.8-69.20000114.8N116 Y410 C411 E412N116-S408 PolarHBondContact ND2-OG 3.4Å; S408-Y410 PolarHBondContact O-N 2.97Å; S408-C411 WeakPolarHBondContact O-CB 3.41Å; S408-C411 PolarHBondContact O-N 2.93Å; S408-E412 PolarHBondContact O-N 3.38Å
409S92.3Very high92.5Very high78 Ų7863.7 Ų63.755%0.54532%0.319SS..Hα-helixtrans-65.9-28.3179.677.40000113.1G407G407-S409 PolarHBondContact O-N 3.38Å; G407-S409 VanDerWaalsContact O-N 3.08Å
410Y94.3Very high92.2Very high28 Ų2864.4 Ų64.411%0.1132%0.319CS..Hα-helixtrans-73.8-39.9174.6179.5-112000111.4V398 E402 Q406 G407 S408 E412 K413 R414V398-Y410 HydrophobicContact CG1-CD1 3.87Å; V398-Y410 HydrophobicContact CG1-CE1 4Å; V398-Y410 HydrophobicContact CG2-CD1 4.13Å; V398-Y410 HydrophobicContact CG2-CE1 4.04Å; E402-Y410 HydrophobicContact CB-CD1 4.21Å; E402-Y410 HydrophobicContact CB-CE1 3.72Å; E402-Y410 HydrophobicContact CG-CE1 4.17Å; E402-Y410 PolarHBondContact OE1-OH 3.48Å; Q406-Y410 HydrophobicContact CB-CD1 4.38Å; Q406-Y410 HydrophobicContact CB-CD2 4.48Å; Q406-Y410 HydrophobicContact CB-CG 3.93Å; Q406-Y410 HydrophobicContact CG-CG 4.44Å; G407-Y410 WeakPolarHBondContact O-CB 3.42Å; G407-Y410 PolarHBondContact O-N 3.4Å; G407-Y410 VanDerWaalsContact O-N 3.08Å; S408-Y410 PolarHBondContact O-N 2.97Å; Y410-E412 PolarHBondContact O-N 2.97Å; Y410-K413 PolarHBondContact O-N 2.85Å; Y410-K413 VanDerWaalsContact O-N 3.14Å; Y410-R414 HydrophobicContact CD1-CG 4.34Å; Y410-R414 HydrophobicContact CD2-CG 4.38Å; Y410-R414 HydrophobicContact CE1-CG 3.98Å; Y410-R414 HydrophobicContact CE2-CG 4.04Å; Y410-R414 PolarHBondContact O-N 2.91Å; Y410-R414 VanDerWaalsContact O-N 3.15Å; Y410-R414 VanDerWaalsContact OH-CZ 3.31Å; Y410-R414 PolarHBondContact OH-NE 3.01Å; Y410-R414 PolarHBondContact OH-NH2 2.89Å
411C94.7Very high92Very high0 Ų063.4 Ų63.40%032%0.32CS..Hα-helixtrans-54.3-49174.6-630000112.2S408 K413 R414 F415S408-C411 WeakPolarHBondContact O-CB 3.41Å; S408-C411 PolarHBondContact O-N 2.93Å; C411-K413 PolarHBondContact O-N 3.43Å; C411-R414 PolarHBondContact O-N 3.04Å; C411-F415 HydrophobicContact CB-CD2 3.96Å; C411-F415 HydrophobicContact CB-CE2 3.48Å; C411-F415 VanDerWaalsContact CB-CE2 3.48Å; C411-F415 HydrophobicContact CB-CZ 3.82Å; C411-F415 WeakPolarHBondContact O-CB 3.43Å; C411-F415 WeakPolarHBondContact O-CD2 3.46Å; C411-F415 WeakPolarHBondContact O-CG 3.48Å; C411-F415 PolarHBondContact O-N 3.16Å
412E92.5Very high91.7Very high56 Ų5659.1 Ų59.126%0.26230%0.304SS..Hα-helixtrans-63.1-28.5180-65.9-59.1126.500113.6K112 R130 S408 Y410 R414K112-E412 WeakPolarHBondContact CD-OE1 3.5Å; K112-E412 WeakPolarHBondContact CD-OE2 3.18Å; K112-E412 IonicContact NZ-OE2 2.82Å; K112-E412 PolarHBondContact NZ-OE2 2.54Å; R130-E412 IonicContact CZ-OE1 3.39Å; R130-E412 IonicContact NH1-OE1 2.87Å; R130-E412 PolarHBondContact NH1-OE1 3.11Å; R130-E412 IonicContact NH2-OE1 3.46Å; R130-E412 PolarHBondContact NH2-OE1 3.46Å; S408-E412 PolarHBondContact O-N 3.38Å; Y410-E412 PolarHBondContact O-N 2.97Å; E412-R414 VanDerWaalsContact C-N 3.34Å
413K92.3Very high91.4Very high175 Ų17560.2 Ų60.276%0.76131%0.31SS*.Hα-helixtrans-77.3-24.8175.9-68173.9-176.4171.10112.5Y410 C411Y410-K413 PolarHBondContact O-N 2.85Å; Y410-K413 VanDerWaalsContact O-N 3.14Å; C411-K413 PolarHBondContact O-N 3.43Å
414R93.9Very high91Very high81 Ų8162.9 Ų62.931%0.30633%0.326SS..Hα-helixtrans-96.7-30.4-175.1-78.3-68.7-162.6137.56.9113.3H395 F396 V398 Y410 C411 E412H395-R414 PolarHBondContact O-NH1 2.9Å; F396-R414 WeakPolarHBondContact CD1-O 3.29Å; V398-R414 HydrophobicContact CG2-CB 3.45Å; V398-R414 VanDerWaalsContact CG2-CB 3.45Å; V398-R414 HydrophobicContact CG2-CG 3.81Å; Y410-R414 HydrophobicContact CD1-CG 4.34Å; Y410-R414 HydrophobicContact CD2-CG 4.38Å; Y410-R414 HydrophobicContact CE1-CG 3.98Å; Y410-R414 HydrophobicContact CE2-CG 4.04Å; Y410-R414 PolarHBondContact O-N 2.91Å; Y410-R414 VanDerWaalsContact O-N 3.15Å; Y410-R414 VanDerWaalsContact OH-CZ 3.31Å; Y410-R414 PolarHBondContact OH-NE 3.01Å; Y410-R414 PolarHBondContact OH-NH2 2.89Å; C411-R414 PolarHBondContact O-N 3.04Å; E412-R414 VanDerWaalsContact C-N 3.34Å
415F94.4Very high90.5Very high7 Ų758 Ų583%0.03131%0.305CS..SBendtrans-80.4140.3-173-68-19.2000113.5L128 R130 V398 C411 T417L128-F415 HydrophobicContact CB-CZ 4.11Å; L128-F415 HydrophobicContact CD2-CE2 4.28Å; L128-F415 HydrophobicContact CD2-CZ 4.08Å; L128-F415 HydrophobicContact CG-CZ 3.99Å; L128-F415 WeakPolarHBondContact O-CE1 3.49Å; R130-F415 HydrophobicContact CB-CD2 3.58Å; R130-F415 HydrophobicContact CB-CE2 3.89Å; R130-F415 HydrophobicContact CB-CG 4.13Å; R130-F415 HydrophobicContact CG-CD2 3.96Å; R130-F415 HydrophobicContact CG-CE2 3.73Å; R130-F415 HydrophobicContact CG-CZ 4.48Å; R130-F415 WeakPolarHBondContact O-CB 3.25Å; V398-F415 HydrophobicContact CB-CE1 3.88Å; V398-F415 HydrophobicContact CB-CZ 4.22Å; V398-F415 HydrophobicContact CG2-CD1 4.25Å; V398-F415 HydrophobicContact CG2-CE1 3.6Å; V398-F415 HydrophobicContact CG2-CZ 4.22Å; C411-F415 HydrophobicContact CB-CD2 3.96Å; C411-F415 HydrophobicContact CB-CE2 3.48Å; C411-F415 VanDerWaalsContact CB-CE2 3.48Å; C411-F415 HydrophobicContact CB-CZ 3.82Å; C411-F415 WeakPolarHBondContact O-CB 3.43Å; C411-F415 WeakPolarHBondContact O-CD2 3.46Å; C411-F415 WeakPolarHBondContact O-CG 3.48Å; C411-F415 PolarHBondContact O-N 3.16Å; F415-T417 HydrophobicContact CB-CG2 4.12Å; F415-T417 PolarHBondContact O-N 2.99Å
416P91.1Very high90Very high12 Ų1252.6 Ų52.68%0.07828%0.283CS..SBendtrans-8162175.431.9-30.8000110.4I129 R130 T131 F135 F396I129-P416 HydrophobicContact CG2-CG 4.29Å; R130-P416 WeakPolarHBondContact O-CD 3.21Å; T131-P416 PolarHBondContact OG1-O 3.16Å; F135-P416 HydrophobicContact CD1-CB 4.36Å; F135-P416 HydrophobicContact CD1-CG 4.14Å; F135-P416 HydrophobicContact CD2-CB 3.98Å; F135-P416 HydrophobicContact CE1-CB 4.12Å; F135-P416 HydrophobicContact CE1-CG 3.79Å; F135-P416 HydrophobicContact CE2-CB 3.69Å; F135-P416 HydrophobicContact CE2-CG 4.28Å; F135-P416 HydrophobicContact CG-CB 4.3Å; F135-P416 HydrophobicContact CZ-CB 3.77Å; F135-P416 HydrophobicContact CZ-CG 3.86Å; F396-P416 HydrophobicContact CB-CG 4.26Å; F396-P416 HydrophobicContact CD1-CB 3.74Å; F396-P416 VanDerWaalsContact CD1-CD 3.47Å; F396-P416 HydrophobicContact CD1-CG 3.71Å; F396-P416 HydrophobicContact CD2-CG 4.39Å; F396-P416 HydrophobicContact CE1-CB 3.66Å; F396-P416 HydrophobicContact CE1-CG 4.15Å; F396-P416 HydrophobicContact CG-CB 4.31Å; F396-P416 HydrophobicContact CG-CG 3.87Å; F396-P416 HydrophobicContact CZ-CB 4.12Å
417T79.7Confident89.5Confident14 Ų1449.3 Ų49.39%0.08627%0.271CS..  trans-110.2-0.9179.947.70000113.3E103 R130 N132 F415E103-T417 HydrophobicContact CG-CG2 4.16Å; E103-T417 VanDerWaalsContact OE1-CG2 3.3Å; E103-T417 WeakPolarHBondContact OE1-CG2 3.5Å; R130-T417 VanDerWaalsContact C-CG2 3.48Å; R130-T417 HydrophobicContact CB-CG2 4.02Å; R130-T417 VanDerWaalsContact O-CG2 3.31Å; R130-T417 WeakPolarHBondContact O-CG2 3.37Å; N132-T417 PolarHBondContact OD1-O 3.14Å; F415-T417 HydrophobicContact CB-CG2 4.12Å; F415-T417 PolarHBondContact O-N 2.99Å
418S62.4Low89.2Confident91 Ų9151.5 Ų51.564%0.63627%0.272SS*.  trans-151.30-169.259.80000113.9K175K175-S418 WeakPolarHBondContact CB-OXT 3.36Å

Retrieved 418 of 418 residues in 901.5 ms (Link to these results)

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