A0A077Z1B8_TRITR Loading...

Putative H/ACA ribonucleoprotein complex subunit 4

Plays a central role in ribosomal RNA processing. Probable catalytic subunit of H/ACA small nucleolar ribonucleoprotein (H/ACA snoRNP) complex, which catalyzes pseudouridylation of rRNA. This involves the isomerization of uridine such that the ribose is subsequently attached to C5, instead of the normal N1. Pseudouridine ('psi') residues may serve to stabilize the conformation of rRNAs.

AlphaFold DB , UniProt , Accession A0A077Z1B8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 388 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M50.7Low73.1Confident239 Ų239156.6 Ų156.6100%1.17780%0.802SS**  0118.60-65.1-179.1-152.300106.6N3M1-N3 PolarHBondContact O-N 3.02Å
2S63.9Low72.9Confident80 Ų80158 Ų15856%0.55980%0.802SS**  trans-70.5120.816835.60000107.7F4S2-F4 WeakPolarHBondContact O-CD2 3.37Å; S2-F4 WeakPolarHBondContact O-CE2 3.44Å; S2-F4 PolarHBondContact O-N 2.92Å; S2-F4 VanDerWaalsContact O-N 3.1Å; S2-F4 WeakPolarHBondContact OG-CE2 3.5Å; S2-F4 WeakPolarHBondContact OG-CZ 3.47Å
3N67.6Low72.5Confident143 Ų143155.5 Ų155.577%0.76580%0.803SS**  trans-63.7109.6171.9-106.32.2000107.9M1M1-N3 PolarHBondContact O-N 3.02Å
4F77.6Confident72.4Confident186 Ų186153.1 Ų153.182%0.81680%0.799SS**  trans-93.898.2171.3-62.6-78.1000107.7S2S2-F4 WeakPolarHBondContact O-CD2 3.37Å; S2-F4 WeakPolarHBondContact O-CE2 3.44Å; S2-F4 PolarHBondContact O-N 2.92Å; S2-F4 VanDerWaalsContact O-N 3.1Å; S2-F4 WeakPolarHBondContact OG-CE2 3.5Å; S2-F4 WeakPolarHBondContact OG-CZ 3.47Å
5E82.4Confident72.9Confident149 Ų149149.3 Ų149.370%0.69678%0.784SS**  trans-110.7132.1173.2-75.6-179.2174.400109.8
6L73.7Confident73.6Confident174 Ų174146.6 Ų146.691%0.91177%0.771SS**  trans-81.5115.1170.6-170.585.7000108.5
7K77.7Confident74.5Confident169 Ų169138.2 Ų138.274%0.73573%0.727SS**  trans-85.1139172-67.8-173.3178.9-178.70110.1S9K7-S9 PolarHBondContact O-N 3.09Å
8P74.5Confident75.4Confident137 Ų137132.3 Ų132.389%0.8970%0.699SS**  trans-57.4130.6165.9-17.929.7000109.3
9S79.3Confident76.1Confident81 Ų81133.2 Ų133.257%0.56670%0.704SS**  trans-144.5138.2173.2-175.50000109.3K7 E11K7-S9 PolarHBondContact O-N 3.09Å; S9-E11 VanDerWaalsContact C-N 3.31Å; S9-E11 WeakPolarHBondContact OG-CB 3.49Å; S9-E11 PolarHBondContact OG-N 3.12Å; S9-E11 VanDerWaalsContact OG-N 3.09Å
10E81Confident76.9Confident200 Ų200131.7 Ų131.794%0.93569%0.688SS**  trans-86.6-7169.2-64.3-173.4169.800111.9Q12E10-Q12 PolarHBondContact O-N 3.45Å
11E75.8Confident77.7Confident165 Ų165128.4 Ų128.477%0.77168%0.675SS**SBendtrans-64.9126.4178.5-64.5-178166.100110S9S9-E11 VanDerWaalsContact C-N 3.31Å; S9-E11 WeakPolarHBondContact OG-CB 3.49Å; S9-E11 PolarHBondContact OG-N 3.12Å; S9-E11 VanDerWaalsContact OG-N 3.09Å
12Q70.6Confident79.8Confident173 Ų173118.6 Ų118.681%0.80863%0.627SS**PPolyproline II helixtrans-64.3132.6172.2-68.8-168.4-7.700109.1E10 V14E10-Q12 PolarHBondContact O-N 3.45Å; Q12-V14 PolarHBondContact O-N 3.38Å
13P67.4Low81.4Confident125 Ų125114.9 Ų114.981%0.81260%0.601SS**PPolyproline II helixtrans-59.6118179.123.1-31.9000109.5V15P13-V15 PolarHBondContact O-N 2.87Å
14V71.9Confident82.8Confident123 Ų123109.2 Ų109.275%0.74557%0.571SS**PPolyproline II helixtrans-79.8118.2171.9-177.90000107.1Q12 D16Q12-V14 PolarHBondContact O-N 3.38Å; V14-D16 PolarHBondContact O-N 3.05Å
15V79.2Confident83.6Confident95 Ų95105.2 Ų105.258%0.57655%0.553SS**  trans-63.4113.3171.7-179.30000107.6P13 T17 W20 S28P13-V15 PolarHBondContact O-N 2.87Å; V15-T17 HydrophobicContact CG1-CG2 3.94Å; V15-T17 PolarHBondContact O-N 3.34Å; V15-W20 HydrophobicContact CG1-CZ2 4.32Å; V15-S28 WeakPolarHBondContact O-CB 3.36Å; V15-S28 PolarHBondContact O-OG 3.42Å
16D84.1Confident84.2Confident106 Ų106101.2 Ų101.257%0.56754%0.536SS*.  trans-70.4121.1170.3-171.68.7000109V14 S18V14-D16 PolarHBondContact O-N 3.05Å; D16-S18 VanDerWaalsContact CG-OG 3.23Å; D16-S18 WeakPolarHBondContact OD1-CB 3.4Å; D16-S18 PolarHBondContact OD1-N 3.46Å; D16-S18 PolarHBondContact OD1-OG 3Å; D16-S18 PolarHBondContact OD2-OG 2.96Å
17T89.7Confident85.1Confident4 Ų494.3 Ų94.33%0.02550%0.5CS..  trans-117.114.8179.260.40000111V15 D19 W20 N26 L27 S28V15-T17 HydrophobicContact CG1-CG2 3.94Å; V15-T17 PolarHBondContact O-N 3.34Å; T17-D19 PolarHBondContact O-N 3.06Å; T17-W20 HydrophobicContact CG2-CD2 3.72Å; T17-W20 HydrophobicContact CG2-CE3 3.93Å; T17-W20 HydrophobicContact CG2-CG 4.27Å; T17-W20 HydrophobicContact CG2-CH2 4.15Å; T17-W20 HydrophobicContact CG2-CZ2 3.89Å; T17-W20 HydrophobicContact CG2-CZ3 4.16Å; T17-W20 WeakPolarHBondContact O-CB 3.27Å; T17-W20 PolarHBondContact O-N 3.48Å; T17-W20 VanDerWaalsContact O-N 3.11Å; T17-N26 PolarHBondContact O-N 3.11Å; T17-L27 HydrophobicContact CG2-CB 4.35Å; T17-L27 PolarHBondContact OG1-N 3.35Å; T17-S28 WeakPolarHBondContact OG1-CB 3.48Å; T17-S28 PolarHBondContact OG1-N 2.86Å; T17-S28 PolarHBondContact OG1-OG 3.23Å
18S89.9Confident85.6Confident33 Ų3388.4 Ų88.423%0.23148%0.48CS..THydrogen-bonded Turntrans-61.2-32.4-179.665.20000112.9D16 K25 N26D16-S18 VanDerWaalsContact CG-OG 3.23Å; D16-S18 WeakPolarHBondContact OD1-CB 3.4Å; D16-S18 PolarHBondContact OD1-N 3.46Å; D16-S18 PolarHBondContact OD1-OG 3Å; D16-S18 PolarHBondContact OD2-OG 2.96Å; S18-K25 WeakPolarHBondContact O-CE 3.28Å; S18-K25 VanDerWaalsContact O-CG 3.28Å; S18-K25 WeakPolarHBondContact O-CG 3.31Å; S18-N26 VanDerWaalsContact CA-OD1 3.32Å; S18-N26 WeakPolarHBondContact CA-OD1 3.48Å
19D89.1Confident86.4Confident148 Ų14886 Ų8679%0.79147%0.467SS*.THydrogen-bonded Turntrans-92.31177.5-68.6-35.9000114.1T17T17-D19 PolarHBondContact O-N 3.06Å
20W92.5Very high87.2Confident103 Ų10382.6 Ų82.639%0.3944%0.442SS..  trans-67.3144.3178.5-74.722000110.9V15 T17 L24 K25 L27V15-W20 HydrophobicContact CG1-CZ2 4.32Å; T17-W20 HydrophobicContact CG2-CD2 3.72Å; T17-W20 HydrophobicContact CG2-CE3 3.93Å; T17-W20 HydrophobicContact CG2-CG 4.27Å; T17-W20 HydrophobicContact CG2-CH2 4.15Å; T17-W20 HydrophobicContact CG2-CZ2 3.89Å; T17-W20 HydrophobicContact CG2-CZ3 4.16Å; T17-W20 WeakPolarHBondContact O-CB 3.27Å; T17-W20 PolarHBondContact O-N 3.48Å; T17-W20 VanDerWaalsContact O-N 3.11Å; W20-L24 HydrophobicContact CB-CB 4.4Å; W20-L24 WeakPolarHBondContact CB-O 3.5Å; W20-L24 HydrophobicContact CE3-CB 3.96Å; W20-L24 HydrophobicContact CE3-CD1 4.45Å; W20-K25 VanDerWaalsContact O-CA 3.25Å; W20-K25 WeakPolarHBondContact O-CA 3.28Å; W20-K25 WeakPolarHBondContact O-CB 3.35Å; W20-K25 WeakPolarHBondContact O-CG 3.23Å; W20-L27 HydrophobicContact CE3-CD2 4.29Å; W20-L27 HydrophobicContact CZ3-CD2 3.78Å
21P92.5Very high87.9Confident63 Ų6375.6 Ų75.641%0.40941%0.409SS..  trans-78.4154.7-171.630.8-35.5000112.5L23 L24 L47P21-L23 PolarHBondContact O-N 3.11Å; P21-L24 PolarHBondContact O-N 2.96Å; P21-L24 VanDerWaalsContact O-N 3.16Å; P21-L47 HydrophobicContact CB-CD1 3.69Å; P21-L47 HydrophobicContact CG-CD1 3.7Å
22L95.7Very high88.7Confident34 Ų3471.1 Ų71.118%0.17839%0.393CS..G310 helixtrans55.2-128.4164.9-54.1169.1000112.6L24 K25 P46 L47 P256 E258 A259L22-L24 PolarHBondContact O-N 3.15Å; L22-K25 WeakPolarHBondContact O-CB 3.5Å; L22-K25 PolarHBondContact O-N 3.41Å; L22-P46 HydrophobicContact CD1-CB 3.9Å; L22-P46 HydrophobicContact CD1-CG 4.41Å; L22-L47 HydrophobicContact CD1-CD2 4.08Å; L22-L47 HydrophobicContact CD1-CG 4.05Å; L22-P256 HydrophobicContact CD1-CB 4.36Å; L22-P256 HydrophobicContact CD1-CG 3.54Å; L22-P256 HydrophobicContact CD2-CG 4.27Å; L22-E258 HydrophobicContact CB-CB 4.23Å; L22-E258 HydrophobicContact CD1-CB 4.14Å; L22-A259 HydrophobicContact CD2-CB 3.61Å
23L97.2Very high89.7Confident1 Ų166.2 Ų66.21%0.00537%0.367CS..G310 helixtrans-75.1-9-175.2-62.3178.6000113.5P21 E258 L261 V262 R266 V302 V304 A310P21-L23 PolarHBondContact O-N 3.11Å; L23-E258 HydrophobicContact CD1-CB 4.03Å; L23-E258 HydrophobicContact CD1-CG 3.72Å; L23-E258 HydrophobicContact CG-CB 4.1Å; L23-E258 HydrophobicContact CG-CG 4.25Å; L23-L261 HydrophobicContact CD2-CB 4.11Å; L23-V262 HydrophobicContact CD2-CG1 4.35Å; L23-R266 HydrophobicContact CD2-CG 4.29Å; L23-R266 WeakPolarHBondContact O-CD 3.21Å; L23-R266 PolarHBondContact O-NH1 2.81Å; L23-V302 HydrophobicContact CD1-CG2 4.21Å; L23-V302 HydrophobicContact CD2-CG1 4.14Å; L23-V304 HydrophobicContact CB-CG1 3.99Å; L23-V304 HydrophobicContact CB-CG2 4.27Å; L23-V304 HydrophobicContact CD1-CG1 4.12Å; L23-V304 HydrophobicContact CD1-CG2 3.9Å; L23-A310 HydrophobicContact CD1-CB 3.93Å
24L95.9Very high90.7Very high24 Ų2461.7 Ų61.713%0.12634%0.338CS..G310 helixtrans-94.8-0.6175.5-62-178.3000113.6W20 P21 L22 L27W20-L24 HydrophobicContact CB-CB 4.4Å; W20-L24 WeakPolarHBondContact CB-O 3.5Å; W20-L24 HydrophobicContact CE3-CB 3.96Å; W20-L24 HydrophobicContact CE3-CD1 4.45Å; P21-L24 PolarHBondContact O-N 2.96Å; P21-L24 VanDerWaalsContact O-N 3.16Å; L22-L24 PolarHBondContact O-N 3.15Å; L24-L27 HydrophobicContact CD2-CD2 4.46Å; L24-L27 WeakPolarHBondContact O-CB 3.34Å; L24-L27 PolarHBondContact O-N 2.88Å
25K95.4Very high91.4Very high103 Ų10361 Ų6145%0.44833%0.331SS..THydrogen-bonded Turntrans-59.7134.4175.7-165.2171.6-173.9174.50111.7S18 W20 L22 L27 R266S18-K25 WeakPolarHBondContact O-CE 3.28Å; S18-K25 VanDerWaalsContact O-CG 3.28Å; S18-K25 WeakPolarHBondContact O-CG 3.31Å; W20-K25 VanDerWaalsContact O-CA 3.25Å; W20-K25 WeakPolarHBondContact O-CA 3.28Å; W20-K25 WeakPolarHBondContact O-CB 3.35Å; W20-K25 WeakPolarHBondContact O-CG 3.23Å; L22-K25 WeakPolarHBondContact O-CB 3.5Å; L22-K25 PolarHBondContact O-N 3.41Å; K25-L27 PolarHBondContact O-N 3.41Å; K25-R266 PolarHBondContact O-NH1 2.98Å; K25-R266 PolarHBondContact O-NH2 2.74Å
26N94.3Very high91.6Very high65 Ų6563.8 Ų63.835%0.34834%0.337SS..THydrogen-bonded Turntrans56.830.6-178.3-54.1-42.8000113.7T17 S18 S28 S29T17-N26 PolarHBondContact O-N 3.11Å; S18-N26 VanDerWaalsContact CA-OD1 3.32Å; S18-N26 WeakPolarHBondContact CA-OD1 3.48Å; N26-S28 PolarHBondContact O-N 3.25Å; N26-S29 PolarHBondContact O-N 3.3Å; N26-S29 VanDerWaalsContact O-N 3.12Å; N26-S29 PolarHBondContact O-OG 2.87Å
27L92.7Very high91.7Very high28 Ų2862.3 Ų62.315%0.14733%0.325CS..G310 helixtrans-57.1-32.6177.4-176.368.2000112.9T17 W20 L24 K25 S29 M30 I268 R290T17-L27 HydrophobicContact CG2-CB 4.35Å; T17-L27 PolarHBondContact OG1-N 3.35Å; W20-L27 HydrophobicContact CE3-CD2 4.29Å; W20-L27 HydrophobicContact CZ3-CD2 3.78Å; L24-L27 HydrophobicContact CD2-CD2 4.46Å; L24-L27 WeakPolarHBondContact O-CB 3.34Å; L24-L27 PolarHBondContact O-N 2.88Å; K25-L27 PolarHBondContact O-N 3.41Å; L27-S29 VanDerWaalsContact C-N 3.29Å; L27-S29 PolarHBondContact O-N 2.87Å; L27-M30 HydrophobicContact CD1-SD 3.72Å; L27-M30 WeakPolarHBondContact O-CB 3.36Å; L27-M30 PolarHBondContact O-N 2.93Å; L27-I268 HydrophobicContact CD1-CD1 4.24Å; L27-I268 HydrophobicContact CD1-CG1 3.91Å; L27-R290 PolarHBondContact O-NH1 2.68Å
28S89.8Confident91.4Very high46 Ų4667 Ų6732%0.32235%0.354SS..G310 helixtrans-68.8-23.8179530000113.3V15 T17 N26 M30V15-S28 WeakPolarHBondContact O-CB 3.36Å; V15-S28 PolarHBondContact O-OG 3.42Å; T17-S28 WeakPolarHBondContact OG1-CB 3.48Å; T17-S28 PolarHBondContact OG1-N 2.86Å; T17-S28 PolarHBondContact OG1-OG 3.23Å; N26-S28 PolarHBondContact O-N 3.25Å; S28-M30 VanDerWaalsContact C-N 3.32Å
29S91.1Very high91.1Very high87 Ų8769.7 Ų69.761%0.60837%0.371SS*.G310 helixtrans-85.8-1.1176.578.60000113.7N26 L27N26-S29 PolarHBondContact O-N 3.3Å; N26-S29 VanDerWaalsContact O-N 3.12Å; N26-S29 PolarHBondContact O-OG 2.87Å; L27-S29 VanDerWaalsContact C-N 3.29Å; L27-S29 PolarHBondContact O-N 2.87Å
30M95Very high91Very high8 Ų863.4 Ų63.44%0.03934%0.338CS..SBendtrans-81.9151.1178.4-64.5178.569.700111.5L27 S28 V32 R266 I268 R290 F291 E292L27-M30 HydrophobicContact CD1-SD 3.72Å; L27-M30 WeakPolarHBondContact O-CB 3.36Å; L27-M30 PolarHBondContact O-N 2.93Å; S28-M30 VanDerWaalsContact C-N 3.32Å; M30-V32 PolarHBondContact O-N 2.88Å; M30-R266 HydrophobicContact CE-CB 3.95Å; M30-R266 WeakPolarHBondContact CE-O 3.48Å; M30-I268 HydrophobicContact CE-CD1 4.28Å; M30-I268 HydrophobicContact CE-CG1 3.94Å; M30-I268 HydrophobicContact SD-CG1 4.31Å; M30-R290 HydrophobicContact CB-CB 4.26Å; M30-R290 HydrophobicContact CE-CB 4.2Å; M30-F291 VanDerWaalsContact CE-C 3.41Å; M30-E292 HydrophobicContact CE-CB 4.19Å
31H95.8Very high90.8Very high54 Ų5467.9 Ų67.925%0.2536%0.363CS..EExtended strand (participates in β ladder)trans-62.7131.4173-68.2-67.1000110.5R290 F291 D293 L324H31-R290 WeakPolarHBondContact O-CA 3.42Å; H31-R290 WeakPolarHBondContact O-CB 3.49Å; H31-F291 HydrophobicContact CB-CD1 4.41Å; H31-F291 HydrophobicContact CB-CD2 4.03Å; H31-F291 HydrophobicContact CB-CE1 4.08Å; H31-F291 HydrophobicContact CB-CE2 3.66Å; H31-F291 HydrophobicContact CB-CG 4.4Å; H31-F291 HydrophobicContact CB-CZ 3.7Å; H31-F291 AromaticContact CD2-CE2 3.81Å; H31-F291 AromaticContact CG-CE2 3.94Å; H31-F291 PolarHBondContact N-O 2.89Å; H31-F291 PolarHBondContact O-N 2.92Å; H31-F291 VanDerWaalsContact O-N 3.17Å; H31-D293 IonicContact CD2-OD1 3.74Å; H31-D293 VanDerWaalsContact NE2-CG 3.31Å; H31-D293 IonicContact NE2-OD1 3.55Å; H31-D293 PolarHBondContact NE2-OD1 2.6Å; H31-D293 VanDerWaalsContact NE2-OD1 3.13Å; H31-D293 IonicContact NE2-OD2 2.92Å; H31-L324 HydrophobicContact CB-CD2 4.29Å
32V93Very high90.7Very high70 Ų7066.3 Ų66.342%0.42436%0.355SS..EExtended strand (participates in β ladder)trans-96.2116.6178.4-176.90000109.4M30 N35M30-V32 PolarHBondContact O-N 2.88Å; V32-N35 WeakPolarHBondContact CG1-OD1 3.34Å
33R91.2Very high90.5Very high70 Ų7065.8 Ų65.826%0.26436%0.358SS..SBendtrans-94.5-39.3172.8-169.9164.7174.484.410.4112.2L285 L289 F291 M323 C326R33-L285 VanDerWaalsContact CZ-CG 3.4Å; R33-L289 PolarHBondContact N-O 2.84Å; R33-F291 HydrophobicContact CB-CE1 4.15Å; R33-M323 PolarHBondContact NH1-O 2.86Å; R33-C326 VanDerWaalsContact CZ-O 3.24Å; R33-C326 PolarHBondContact NH1-O 2.92Å; R33-C326 PolarHBondContact NH2-O 3.29Å
34S89.3Confident90.3Very high30 Ų3067 Ų6721%0.2137%0.367CS..  trans-157.3131.2177.7171.20000109.2H36 L289S34-H36 PolarHBondContact OG-N 3.01Å; S34-H36 VanDerWaalsContact OG-N 3.07Å; S34-H36 PolarHBondContact OG-O 3.22Å; S34-L289 PolarHBondContact N-O 3.27Å; S34-L289 VanDerWaalsContact N-O 3.16Å; S34-L289 WeakPolarHBondContact O-CD2 3.49Å
35N85.4Confident90.2Very high110 Ų11067.7 Ų67.759%0.58837%0.374SS*.  trans-92.3-5.9165-68.3-39.6000111.9V32 F37 R290V32-N35 WeakPolarHBondContact CG1-OD1 3.34Å; N35-F37 WeakPolarHBondContact O-CD1 3.25Å; N35-F37 PolarHBondContact O-N 3.3Å; N35-R290 PolarHBondContact OD1-NH2 2.89Å
36H84.8Confident90.3Very high152 Ų15263 Ų6370%0.70435%0.354SS*.  trans-82.7108.5179.1-170.372000111.2S34 K270S34-H36 PolarHBondContact OG-N 3.01Å; S34-H36 VanDerWaalsContact OG-N 3.07Å; S34-H36 PolarHBondContact OG-O 3.22Å; H36-K270 WeakPolarHBondContact O-CE 3.44Å
37F85.2Confident90.3Very high75 Ų7563.5 Ų63.533%0.32936%0.356SS..  trans-151.3159.816968.3-76.2000110.3N35 P39 K270 L289 T306N35-F37 WeakPolarHBondContact O-CD1 3.25Å; N35-F37 PolarHBondContact O-N 3.3Å; F37-P39 HydrophobicContact CD2-CG 4.19Å; F37-P39 HydrophobicContact CE2-CB 4.21Å; F37-P39 HydrophobicContact CE2-CG 3.73Å; F37-P39 HydrophobicContact CZ-CG 4.4Å; F37-P39 WeakPolarHBondContact O-CD 3.44Å; F37-K270 HydrophobicContact CB-CG 4.14Å; F37-L289 HydrophobicContact CB-CD1 4.15Å; F37-L289 HydrophobicContact CB-CD2 3.98Å; F37-L289 HydrophobicContact CD1-CD1 3.86Å; F37-L289 HydrophobicContact CD1-CD2 4.11Å; F37-L289 HydrophobicContact CD2-CD1 4.39Å; F37-L289 HydrophobicContact CE1-CD1 4.37Å; F37-L289 HydrophobicContact CG-CD1 3.89Å; F37-L289 HydrophobicContact CG-CD2 4.33Å; F37-T306 HydrophobicContact CD2-CG2 4Å; F37-T306 HydrophobicContact CE2-CG2 3.64Å; F37-T306 HydrophobicContact CZ-CG2 4.04Å
38V84Confident90.4Very high102 Ų10268.2 Ų68.262%0.61838%0.381SS*.  trans-101.3110.4171.2-179.90000106.8
39P84.1Confident90.7Very high90 Ų9066.4 Ų66.458%0.58437%0.367SS*.  trans-54.8141.1174-22.532.1000110.4F37F37-P39 HydrophobicContact CD2-CG 4.19Å; F37-P39 HydrophobicContact CE2-CB 4.21Å; F37-P39 HydrophobicContact CE2-CG 3.73Å; F37-P39 HydrophobicContact CZ-CG 4.4Å; F37-P39 WeakPolarHBondContact O-CD 3.44Å
40V86.2Confident91Very high17 Ų1766.1 Ų66.110%0.10336%0.364CS..  trans-106.7136.9172-178.20000107.9A42 D271 K307 Y344 P345V40-A42 HydrophobicContact CG1-CB 3.95Å; V40-A42 PolarHBondContact O-N 3.31Å; V40-D271 HydrophobicContact CB-CB 3.94Å; V40-D271 HydrophobicContact CG2-CB 3.63Å; V40-D271 PolarHBondContact N-OD2 3.22Å; V40-K307 PolarHBondContact O-NZ 3.42Å; V40-Y344 HydrophobicContact CB-CD1 4.32Å; V40-Y344 HydrophobicContact CB-CE1 4.43Å; V40-Y344 HydrophobicContact CG1-CD1 4.45Å; V40-P345 HydrophobicContact CG1-CG 3.82Å
41E88.1Confident91Very high196 Ų19666.3 Ų66.392%0.91637%0.365SS*.SBendtrans-61.5-28.8179.8-66.6-179.8171.200112.8
42A90.7Very high91Very high30 Ų3072.1 Ų72.125%0.24839%0.389CS..SBendtrans-66152.9-18000000113.6V40 K307 V343 Y344V40-A42 HydrophobicContact CG1-CB 3.95Å; V40-A42 PolarHBondContact O-N 3.31Å; A42-K307 WeakPolarHBondContact O-CE 3.43Å; A42-K307 PolarHBondContact O-NZ 3.23Å; A42-V343 VanDerWaalsContact CB-O 3.29Å; A42-V343 WeakPolarHBondContact CB-O 3.22Å; A42-Y344 VanDerWaalsContact O-CE1 3.3Å; A42-Y344 WeakPolarHBondContact O-CE1 3.48Å; A42-Y344 VanDerWaalsContact O-CZ 3.3Å; A42-Y344 PolarHBondContact O-OH 2.92Å
43G90.6Very high91.2Very high24 Ų2471.7 Ų71.725%0.24738%0.382CS..SBendtrans79.3169.4-172.700000112.3E309G43-E309 WeakPolarHBondContact CA-OE1 3.41Å
44C92.9Very high91.5Very high26 Ų2668.6 Ų68.618%0.17637%0.371CS..  trans-151.8164.6-178.6560000111.2R49 E309C44-R49 WeakPolarHBondContact SG-CG 3.36Å; C44-E309 PolarHBondContact N-OE1 3.42Å; C44-E309 VanDerWaalsContact N-OE1 3.12Å; C44-E309 WeakPolarHBondContact O-CG 3.46Å
45S94.8Very high91.9Very high39 Ų3968 Ų6827%0.27337%0.365SS..  trans-59.1136.7169.5171.70000109.3L47 N48 R49S45-L47 PolarHBondContact O-N 2.87Å; S45-N48 CarbonylContact O-C 3.55Å; S45-N48 PolarHBondContact O-N 2.87Å; S45-R49 PolarHBondContact O-N 3.46Å
46P97.1Very high92.4Very high4 Ų463.9 Ų63.93%0.02635%0.345CS..G310 helixtrans-52-29.8179.3-29.234.3000114.8L22 P256 E258 K307 G308 E309L22-P46 HydrophobicContact CD1-CB 3.9Å; L22-P46 HydrophobicContact CD1-CG 4.41Å; P46-P256 HydrophobicContact CB-CB 3.9Å; P46-P256 HydrophobicContact CB-CG 4.39Å; P46-E258 HydrophobicContact CB-CG 4.18Å; P46-E258 HydrophobicContact CG-CB 4.45Å; P46-E258 HydrophobicContact CG-CG 3.74Å; P46-K307 WeakPolarHBondContact CD-O 3.24Å; P46-G308 WeakPolarHBondContact CG-O 3.4Å; P46-E309 HydrophobicContact CG-CG 4.39Å
47L95.4Very high93Very high76 Ų7657.2 Ų57.240%0.39832%0.315SS..G310 helixtrans-80.1-19.5178.9-64.4175.9000113.6P21 L22 S45 P256P21-L47 HydrophobicContact CB-CD1 3.69Å; P21-L47 HydrophobicContact CG-CD1 3.7Å; L22-L47 HydrophobicContact CD1-CD2 4.08Å; L22-L47 HydrophobicContact CD1-CG 4.05Å; S45-L47 PolarHBondContact O-N 2.87Å; L47-P256 HydrophobicContact CD2-CG 3.99Å
48N94.6Very high93.6Very high126 Ų12653.6 Ų53.667%0.67430%0.299SS*.G310 helixtrans-110.519.6-176.4-64-16.6000112.2S45S45-N48 CarbonylContact O-C 3.55Å; S45-N48 PolarHBondContact O-N 2.87Å
49R95.6Very high94.2Very high8 Ų848.8 Ų48.83%0.0327%0.27CS..  trans-61.2143.7174.6-80174.3178.4137.214.2111C44 S45 E53 H54 T57 R251 E258C44-R49 WeakPolarHBondContact SG-CG 3.36Å; S45-R49 PolarHBondContact O-N 3.46Å; R49-E53 HydrophobicContact CB-CB 4.34Å; R49-E53 HydrophobicContact CG-CG 4.38Å; R49-E53 IonicContact NE-OE1 3.75Å; R49-H54 HydrophobicContact CB-CB 4Å; R49-T57 VanDerWaalsContact CD-OG1 3.31Å; R49-T57 WeakPolarHBondContact CD-OG1 3.32Å; R49-T57 PolarHBondContact NH1-OG1 3.29Å; R49-T57 VanDerWaalsContact NH1-OG1 3.1Å; R49-R251 PolarHBondContact O-NH1 3.11Å; R49-R251 PolarHBondContact O-NH2 3.07Å; R49-E258 IonicContact CZ-OE1 2.74Å; R49-E258 IonicContact CZ-OE2 3.13Å; R49-E258 IonicContact NH1-OE1 3Å; R49-E258 IonicContact NH1-OE2 3.69Å; R49-E258 PolarHBondContact NH1-OE2 2.8Å; R49-E258 IonicContact NH2-OE1 3.3Å; R49-E258 PolarHBondContact NH2-OE1 3.01Å; R49-E258 IonicContact NH2-OE2 3.88Å
50P96.2Very high94.9Very high82 Ų8244.5 Ų44.553%0.53224%0.242SC..  trans-52.2141.5163.6-23.733.8000110.1K52 E53 H54P50-K52 VanDerWaalsContact C-N 3.26Å; P50-K52 PolarHBondContact O-N 3.16Å; P50-K52 VanDerWaalsContact O-N 3.09Å; P50-E53 WeakPolarHBondContact O-CA 3.46Å; P50-E53 WeakPolarHBondContact O-CB 3.49Å; P50-E53 PolarHBondContact O-N 3.43Å; P50-H54 PolarHBondContact O-N 3.06Å
51I96.7Very high95.4Very high12 Ų1243.7 Ų43.76%0.06224%0.237CC..Hα-helixtrans-53.9-39.8-168-172.555.4000114.1E53 H54 I55 Y241 E247 L250 R251I51-E53 VanDerWaalsContact C-N 3.31Å; I51-E53 PolarHBondContact O-N 3.48Å; I51-H54 WeakPolarHBondContact O-CB 3.29Å; I51-H54 PolarHBondContact O-N 3.43Å; I51-I55 HydrophobicContact CD1-CD1 4.18Å; I51-I55 HydrophobicContact CD1-CG1 4.16Å; I51-I55 HydrophobicContact CG1-CD1 3.92Å; I51-I55 HydrophobicContact CG1-CG1 4.38Å; I51-I55 VanDerWaalsContact O-CG1 3.24Å; I51-I55 WeakPolarHBondContact O-CG1 3.35Å; I51-I55 PolarHBondContact O-N 3.27Å; I51-Y241 HydrophobicContact CG1-CE2 4.33Å; I51-Y241 HydrophobicContact CG2-CE2 4.15Å; I51-Y241 WeakPolarHBondContact CG2-OH 3.45Å; I51-E247 VanDerWaalsContact CB-CD 3.43Å; I51-E247 HydrophobicContact CB-CG 4.1Å; I51-E247 WeakPolarHBondContact CB-OE1 3.21Å; I51-E247 HydrophobicContact CD1-CB 4.12Å; I51-E247 HydrophobicContact CD1-CG 4.37Å; I51-E247 HydrophobicContact CG1-CB 4.32Å; I51-E247 HydrophobicContact CG1-CG 4.02Å; I51-E247 HydrophobicContact CG2-CG 4.42Å; I51-E247 WeakPolarHBondContact CG2-OE1 3.39Å; I51-L250 HydrophobicContact CD1-CB 4.09Å; I51-L250 HydrophobicContact CD1-CD1 4.39Å; I51-L250 HydrophobicContact CG1-CD1 4.47Å; I51-R251 HydrophobicContact CD1-CG 4.12Å
52K95.8Very high95.9Very high176 Ų17634.4 Ų34.477%0.76519%0.194SC*.Hα-helixtrans-59.9-43.1176.8-175.4179.3178.7-179.30111.8P50 S56P50-K52 VanDerWaalsContact C-N 3.26Å; P50-K52 PolarHBondContact O-N 3.16Å; P50-K52 VanDerWaalsContact O-N 3.09Å; K52-S56 WeakPolarHBondContact O-CB 3.37Å; K52-S56 PolarHBondContact O-N 3.1Å; K52-S56 PolarHBondContact O-OG 3.22Å
53E95.7Very high96.3Very high61 Ų6135 Ų3529%0.28519%0.193SC..Hα-helixtrans-71.3-42.4177.5-167.7-177.2157.400110.8R49 P50 I51 I55 S56 T57R49-E53 HydrophobicContact CB-CB 4.34Å; R49-E53 HydrophobicContact CG-CG 4.38Å; R49-E53 IonicContact NE-OE1 3.75Å; P50-E53 WeakPolarHBondContact O-CA 3.46Å; P50-E53 WeakPolarHBondContact O-CB 3.49Å; P50-E53 PolarHBondContact O-N 3.43Å; I51-E53 VanDerWaalsContact C-N 3.31Å; I51-E53 PolarHBondContact O-N 3.48Å; E53-I55 VanDerWaalsContact C-N 3.31Å; E53-I55 PolarHBondContact O-N 2.88Å; E53-S56 WeakPolarHBondContact CA-OG 3.32Å; E53-S56 PolarHBondContact O-N 3.05Å; E53-S56 PolarHBondContact O-OG 3.04Å; E53-T57 HydrophobicContact CG-CG2 4.12Å; E53-T57 WeakPolarHBondContact O-CB 3.39Å; E53-T57 PolarHBondContact O-N 3.19Å; E53-T57 PolarHBondContact O-OG1 3.31Å
54H97.6Very high96.6Very high4 Ų433.9 Ų33.92%0.01918%0.181CC..Hα-helixtrans-53.1-47.8174.9-174.678.7000111.7R49 P50 I51 T57 G58 I254R49-H54 HydrophobicContact CB-CB 4Å; P50-H54 PolarHBondContact O-N 3.06Å; I51-H54 WeakPolarHBondContact O-CB 3.29Å; I51-H54 PolarHBondContact O-N 3.43Å; H54-T57 CarbonylContact O-C 3.6Å; H54-G58 WeakPolarHBondContact O-CA 3.27Å; H54-G58 PolarHBondContact O-N 3.47Å; H54-G58 VanDerWaalsContact O-N 3.1Å; H54-I254 PolarHBondContact CE1-O 2.76Å; H54-I254 PolarHBondContact NE2-O 3.4Å
55I98.2Very high96.8Very high17 Ų1735.2 Ų35.29%0.08719%0.189CC..Hα-helixtrans-62.9-52.9175.2-64.8165.5000110.5I51 E53 T57 G58 V83 I104 L250 I254I51-I55 HydrophobicContact CD1-CD1 4.18Å; I51-I55 HydrophobicContact CD1-CG1 4.16Å; I51-I55 HydrophobicContact CG1-CD1 3.92Å; I51-I55 HydrophobicContact CG1-CG1 4.38Å; I51-I55 VanDerWaalsContact O-CG1 3.24Å; I51-I55 WeakPolarHBondContact O-CG1 3.35Å; I51-I55 PolarHBondContact O-N 3.27Å; E53-I55 VanDerWaalsContact C-N 3.31Å; E53-I55 PolarHBondContact O-N 2.88Å; I55-T57 PolarHBondContact O-N 2.95Å; I55-G58 PolarHBondContact O-N 3.45Å; I55-G58 VanDerWaalsContact O-N 3.12Å; I55-V83 HydrophobicContact CG2-CG1 3.62Å; I55-I104 HydrophobicContact CG2-CD1 4.28Å; I55-I104 HydrophobicContact CG2-CG2 4.16Å; I55-I104 WeakPolarHBondContact O-CB 3.38Å; I55-I104 VanDerWaalsContact O-CG2 3.24Å; I55-I104 WeakPolarHBondContact O-CG2 3.4Å; I55-L250 HydrophobicContact CD1-CD1 4.2Å; I55-I254 HydrophobicContact CB-CD1 4.27Å; I55-I254 HydrophobicContact CG1-CD1 3.72Å; I55-I254 HydrophobicContact CG2-CD1 4.17Å
56S96.5Very high96.9Very high24 Ų2436.2 Ų36.217%0.16819%0.194CC..Hα-helixtrans-65.6-25.4-174.972.70000114.1K52 E53 R106K52-S56 WeakPolarHBondContact O-CB 3.37Å; K52-S56 PolarHBondContact O-N 3.1Å; K52-S56 PolarHBondContact O-OG 3.22Å; E53-S56 WeakPolarHBondContact CA-OG 3.32Å; E53-S56 PolarHBondContact O-N 3.05Å; E53-S56 PolarHBondContact O-OG 3.04Å; S56-R106 WeakPolarHBondContact O-CB 3.37Å; S56-R106 PolarHBondContact O-N 3.2Å
57T96.7Very high96.9Very high12 Ų1242 Ų427%0.07422%0.224CC..THydrogen-bonded Turntrans-106.619.117862.70000112R49 E53 H54 I55 R106 L257R49-T57 VanDerWaalsContact CD-OG1 3.31Å; R49-T57 WeakPolarHBondContact CD-OG1 3.32Å; R49-T57 PolarHBondContact NH1-OG1 3.29Å; R49-T57 VanDerWaalsContact NH1-OG1 3.1Å; E53-T57 HydrophobicContact CG-CG2 4.12Å; E53-T57 WeakPolarHBondContact O-CB 3.39Å; E53-T57 PolarHBondContact O-N 3.19Å; E53-T57 PolarHBondContact O-OG1 3.31Å; H54-T57 CarbonylContact O-C 3.6Å; I55-T57 PolarHBondContact O-N 2.95Å; T57-R106 HydrophobicContact CG2-CB 4.08Å; T57-R106 HydrophobicContact CG2-CG 4.29Å; T57-L257 WeakPolarHBondContact O-CB 3.38Å; T57-L257 WeakPolarHBondContact O-CD2 3.2Å; T57-L257 WeakPolarHBondContact O-CG 3.46Å; T57-L257 PolarHBondContact O-N 3.3Å
58G97.8Very high97Very high0 Ų039.4 Ų39.40%021%0.212CC..EExtended strand (participates in β ladder)trans-110.8172.6-17600000114.5H54 I55 I104 A107 R255H54-G58 WeakPolarHBondContact O-CA 3.27Å; H54-G58 PolarHBondContact O-N 3.47Å; H54-G58 VanDerWaalsContact O-N 3.1Å; I55-G58 PolarHBondContact O-N 3.45Å; I55-G58 VanDerWaalsContact O-N 3.12Å; G58-I104 PolarHBondContact O-N 3.4Å; G58-A107 WeakPolarHBondContact O-CB 3.48Å; G58-R255 CarbonylContact C-O 3.59Å; G58-R255 WeakPolarHBondContact CA-O 3.49Å
59F97.9Very high97Very high0 Ų034.8 Ų34.80%019%0.19CC..EExtended strand (participates in β ladder)trans-142160.2169.474.4-83.2000110.9I101 V102 T222 R255 P256 A259 L260F59-I101 HydrophobicContact CB-CG2 4.16Å; F59-I101 HydrophobicContact CD2-CG2 3.69Å; F59-I101 HydrophobicContact CE2-CG2 4.47Å; F59-I101 HydrophobicContact CG-CG2 4.17Å; F59-V102 CarbonylContact C-O 3.57Å; F59-V102 WeakPolarHBondContact CA-O 3.23Å; F59-V102 WeakPolarHBondContact CB-O 3.48Å; F59-T222 HydrophobicContact CE2-CG2 3.84Å; F59-T222 HydrophobicContact CZ-CG2 4.25Å; F59-R255 HydrophobicContact CD1-CB 4.23Å; F59-R255 WeakPolarHBondContact CD1-O 3.35Å; F59-R255 HydrophobicContact CE1-CB 3.65Å; F59-R255 HydrophobicContact CE2-CB 4.25Å; F59-R255 HydrophobicContact CZ-CB 3.68Å; F59-R255 HydrophobicContact CZ-CG 4.49Å; F59-R255 PolarHBondContact N-O 3.41Å; F59-R255 PolarHBondContact O-N 3.15Å; F59-P256 WeakPolarHBondContact CE1-O 3.42Å; F59-A259 HydrophobicContact CE1-CB 3.92Å; F59-A259 HydrophobicContact CZ-CB 4.07Å; F59-L260 HydrophobicContact CB-CD1 4.34Å; F59-L260 HydrophobicContact CD1-CD1 3.72Å; F59-L260 HydrophobicContact CD1-CD2 4.22Å; F59-L260 HydrophobicContact CD1-CG 3.68Å; F59-L260 HydrophobicContact CD2-CD1 4.43Å; F59-L260 HydrophobicContact CD2-CD2 4.1Å; F59-L260 HydrophobicContact CD2-CG 4.41Å; F59-L260 HydrophobicContact CE1-CD1 4.09Å; F59-L260 HydrophobicContact CE1-CD2 3.87Å; F59-L260 HydrophobicContact CE1-CG 3.49Å; F59-L260 VanDerWaalsContact CE1-CG 3.49Å; F59-L260 HydrophobicContact CE2-CD2 3.74Å; F59-L260 HydrophobicContact CE2-CG 4.26Å; F59-L260 HydrophobicContact CG-CD1 3.89Å; F59-L260 HydrophobicContact CG-CD2 4.31Å; F59-L260 HydrophobicContact CG-CG 4.12Å; F59-L260 HydrophobicContact CZ-CD2 3.59Å; F59-L260 HydrophobicContact CZ-CG 3.79Å
60L97.9Very high97Very high0 Ų034.4 Ų34.40%019%0.189CC..EExtended strand (participates in β ladder)trans-111.3141.9174-59.9158.1000109.1I77 L81 I101 V102 V229 V234 I253 I254L60-I77 HydrophobicContact CD1-CD1 4.2Å; L60-I77 HydrophobicContact CD1-CG2 3.68Å; L60-L81 HydrophobicContact CD1-CD1 4.15Å; L60-I101 CarbonylContact O-C 3.53Å; L60-I101 VanDerWaalsContact O-CA 3.27Å; L60-I101 WeakPolarHBondContact O-CA 3.27Å; L60-V102 HydrophobicContact CB-CB 4.34Å; L60-V102 PolarHBondContact N-O 3.37Å; L60-V102 PolarHBondContact O-N 3.47Å; L60-V229 HydrophobicContact CB-CG2 4.42Å; L60-V229 HydrophobicContact CD2-CG2 4.26Å; L60-V234 HydrophobicContact CD1-CG2 4.12Å; L60-V234 HydrophobicContact CD2-CG2 4.23Å; L60-I253 HydrophobicContact CD2-CB 4.21Å; L60-I253 HydrophobicContact CD2-CD1 4.22Å; L60-I253 HydrophobicContact CD2-CG1 3.97Å; L60-I253 WeakPolarHBondContact CD2-O 3.45Å; L60-I254 HydrophobicContact CD2-CB 4.46Å; L60-I254 HydrophobicContact CD2-CG1 3.62Å; L60-I254 HydrophobicContact CG-CG1 4.33Å
61N97.6Very high97Very high1 Ų136.2 Ų36.21%0.00519%0.19CC..EExtended strand (participates in β ladder)trans-94.886.8163.1-176.322.9000108.1S223 E226 L228 V229N61-S223 PolarHBondContact ND2-O 2.83Å; N61-E226 PolarHBondContact ND2-O 2.81Å; N61-L228 WeakPolarHBondContact O-CA 3.41Å; N61-V229 PolarHBondContact O-N 2.97Å
62L98.3Very high97Very high0 Ų040 Ų400%021%0.207CC..EExtended strand (participates in β ladder)trans-84.5133.2-170.4-171.176.9000111.1K64 V73 I77 C99 L100 V102 V229 M231 V234L62-K64 PolarHBondContact O-N 2.82Å; L62-K64 VanDerWaalsContact O-N 3.13Å; L62-V73 HydrophobicContact CD2-CG1 3.14Å; L62-I77 HydrophobicContact CD1-CD1 3.99Å; L62-I77 HydrophobicContact CD2-CD1 4.33Å; L62-I77 HydrophobicContact CD2-CG1 4.16Å; L62-C99 CarbonylContact O-C 3.56Å; L62-L100 WeakPolarHBondContact CB-O 3.47Å; L62-L100 PolarHBondContact N-O 3.31Å; L62-L100 PolarHBondContact O-N 2.84Å; L62-V102 HydrophobicContact CB-CG2 4.06Å; L62-V102 HydrophobicContact CD2-CG2 4.06Å; L62-V229 CarbonylContact C-O 3.58Å; L62-V229 WeakPolarHBondContact CA-O 3.39Å; L62-V229 HydrophobicContact CD1-CG2 4.38Å; L62-V229 WeakPolarHBondContact CD1-O 3.48Å; L62-M231 HydrophobicContact CD1-CG 4.37Å; L62-M231 HydrophobicContact CD1-SD 4.03Å; L62-M231 HydrophobicContact CD2-SD 3.86Å; L62-V234 HydrophobicContact CD1-CG2 4.3Å
63D98.2Very high97.1Very high44 Ų4431.6 Ų31.624%0.23517%0.171CC..EExtended strand (participates in β ladder)trans-74.895.5161.2-158.4-18000108.5P65 G98 R215 L228 V229D63-P65 WeakPolarHBondContact O-CD 3.43Å; D63-G98 WeakPolarHBondContact OD1-CA 3.47Å; D63-G98 PolarHBondContact OD1-N 2.75Å; D63-R215 IonicContact OD1-CZ 3.95Å; D63-R215 IonicContact OD1-NH1 3.37Å; D63-R215 PolarHBondContact OD1-NH1 2.88Å; D63-R215 IonicContact OD1-NH2 2.61Å; D63-R215 IonicContact OD2-CZ 2.83Å; D63-R215 IonicContact OD2-NH1 3.85Å; D63-R215 PolarHBondContact OD2-NH1 3.28Å; D63-R215 IonicContact OD2-NH2 2.72Å; D63-R215 PolarHBondContact OD2-NH2 3.3Å; D63-L228 HydrophobicContact CB-CD1 4.15Å; D63-L228 HydrophobicContact CB-CD2 3.66Å; D63-L228 HydrophobicContact CB-CG 3.78Å; D63-L228 WeakPolarHBondContact OD2-CD2 3.49Å; D63-V229 PolarHBondContact N-O 2.9Å
64K97.8Very high97.1Very high0 Ų029.2 Ų29.20%016%0.16CC..EExtended strand (participates in β ladder)trans-64.9124.1176.7-177.4-160.3159.5-71.40108.2L62 P68 V73 L92 D93 P94 V96 S97 G98 L100L62-K64 PolarHBondContact O-N 2.82Å; L62-K64 VanDerWaalsContact O-N 3.13Å; K64-P68 WeakPolarHBondContact CE-O 3.47Å; K64-P68 PolarHBondContact NZ-O 3.12Å; K64-V73 HydrophobicContact CG-CG2 4.21Å; K64-L92 HydrophobicContact CB-CD1 4.07Å; K64-L92 HydrophobicContact CD-CB 3.6Å; K64-L92 HydrophobicContact CD-CD1 3.7Å; K64-L92 HydrophobicContact CD-CG 4.26Å; K64-D93 PolarHBondContact NZ-O 2.85Å; K64-P94 PolarHBondContact NZ-O 2.86Å; K64-P94 VanDerWaalsContact NZ-O 3.07Å; K64-V96 PolarHBondContact NZ-O 3.13Å; K64-S97 WeakPolarHBondContact O-CA 3.37Å; K64-S97 WeakPolarHBondContact O-CB 3.35Å; K64-G98 PolarHBondContact N-O 3.27Å; K64-G98 PolarHBondContact O-N 3.47Å; K64-L100 HydrophobicContact CB-CB 4.08Å; K64-L100 HydrophobicContact CB-CD2 4.22Å; K64-L100 HydrophobicContact CD-CD2 4.39Å; K64-L100 HydrophobicContact CG-CD2 4.31Å
65P97.1Very high97.2Very high53 Ų5331.7 Ų31.734%0.34418%0.181SC..PPolyproline II helixtrans-70.8162.1175.530.3-35.6000111.8D63 P68D63-P65 WeakPolarHBondContact O-CD 3.43Å; P65-P68 HydrophobicContact CG-CG 4.13Å
66V97.2Very high97.2Very high61 Ų6135.5 Ų35.537%0.3719%0.194SC..SBendtrans-71.4144.6169.6-176.20000109.5P68V66-P68 WeakPolarHBondContact O-CD 3.25Å
67N96.2Very high97.3Very high124 Ų12434.4 Ų34.466%0.66319%0.187SC*.SBendtrans95.3-50.1177.7-54.2-46.8000116.1P94N67-P94 WeakPolarHBondContact CA-O 3.31Å; N67-P94 PolarHBondContact N-O 2.78Å; N67-P94 WeakPolarHBondContact O-CB 3.37Å
68P96.6Very high97.4Very high23 Ų2338 Ų3815%0.14920%0.201CC..SBendtrans-66.2145.5172.2-25.637.1000112K64 P65 V66 V73 W76 P94K64-P68 WeakPolarHBondContact CE-O 3.47Å; K64-P68 PolarHBondContact NZ-O 3.12Å; P65-P68 HydrophobicContact CG-CG 4.13Å; V66-P68 WeakPolarHBondContact O-CD 3.25Å; P68-V73 HydrophobicContact CB-CG2 3.6Å; P68-V73 HydrophobicContact CG-CG2 4.44Å; P68-W76 HydrophobicContact CB-CH2 3.97Å; P68-W76 HydrophobicContact CB-CZ3 3.84Å; P68-W76 HydrophobicContact CG-CH2 3.93Å; P68-W76 HydrophobicContact CG-CZ3 3.78Å; P68-P94 WeakPolarHBondContact O-CA 3.16Å
69S95.6Very high97.4Very high29 Ų2946.8 Ų46.820%0.20323%0.234CC..  trans-69.7156.9165.471.90000110.8H71 E72 V73S69-H71 PolarHBondContact O-N 2.81Å; S69-E72 VanDerWaalsContact CB-OE2 3.25Å; S69-E72 WeakPolarHBondContact CB-OE2 3.49Å; S69-E72 PolarHBondContact N-OE2 3.19Å; S69-E72 PolarHBondContact O-N 2.91Å; S69-E72 WeakPolarHBondContact OG-CG 3.34Å; S69-E72 PolarHBondContact OG-N 2.93Å; S69-E72 PolarHBondContact OG-OE2 3.37Å; S69-V73 WeakPolarHBondContact O-CG2 3.34Å; S69-V73 PolarHBondContact O-N 3.42Å
70S95.7Very high97.4Very high0 Ų048.1 Ų48.10%024%0.241CC..Hα-helixtrans-58.3-31174.3-60.60000113.5V74 L92S70-V74 WeakPolarHBondContact O-CB 3.43Å; S70-V74 WeakPolarHBondContact O-CG2 2.99Å; S70-V74 PolarHBondContact O-N 3.02Å; S70-L92 PolarHBondContact OG-N 2.84Å; S70-L92 PolarHBondContact OG-O 2.91Å
71H95.1Very high97.4Very high119 Ų11948.5 Ų48.555%0.55124%0.243SC*.Hα-helixtrans-72.1-41.2-178.5-7092.1000111.9S69 V74 A75 H88S69-H71 PolarHBondContact O-N 2.81Å; H71-V74 PolarHBondContact O-N 3.11Å; H71-A75 WeakPolarHBondContact O-CB 2.94Å; H71-A75 PolarHBondContact O-N 2.9Å; H71-H88 AromaticContact NE2-NE2 3.84Å
72E97.3Very high97.4Very high92 Ų9256.4 Ų56.443%0.4327%0.273SS..Hα-helixtrans-60.9-47.5175.2-72.1161.8130.600110.8S69 V74 A75 W76S69-E72 VanDerWaalsContact CB-OE2 3.25Å; S69-E72 WeakPolarHBondContact CB-OE2 3.49Å; S69-E72 PolarHBondContact N-OE2 3.19Å; S69-E72 PolarHBondContact O-N 2.91Å; S69-E72 WeakPolarHBondContact OG-CG 3.34Å; S69-E72 PolarHBondContact OG-N 2.93Å; S69-E72 PolarHBondContact OG-OE2 3.37Å; E72-V74 PolarHBondContact O-N 3.37Å; E72-A75 WeakPolarHBondContact O-CB 3.43Å; E72-A75 PolarHBondContact O-N 3.35Å; E72-A75 VanDerWaalsContact O-N 3.16Å; E72-W76 HydrophobicContact CB-CH2 4.29Å; E72-W76 HydrophobicContact CB-CZ2 4.09Å; E72-W76 VanDerWaalsContact O-CG 3.26Å; E72-W76 PolarHBondContact O-N 3.02Å
73V97.9Very high97.4Very high0 Ų057.1 Ų57.10%028%0.278CS..Hα-helixtrans-58.2-48.4178.2172.50000111.4L62 K64 P68 S69 A75 W76 I77 L100 M231L62-V73 HydrophobicContact CD2-CG1 3.14Å; K64-V73 HydrophobicContact CG-CG2 4.21Å; P68-V73 HydrophobicContact CB-CG2 3.6Å; P68-V73 HydrophobicContact CG-CG2 4.44Å; S69-V73 WeakPolarHBondContact O-CG2 3.34Å; S69-V73 PolarHBondContact O-N 3.42Å; V73-A75 VanDerWaalsContact C-N 3.29Å; V73-A75 PolarHBondContact O-N 3.48Å; V73-W76 HydrophobicContact CG2-CE3 4.37Å; V73-W76 HydrophobicContact CG2-CZ3 4.31Å; V73-W76 PolarHBondContact O-N 2.9Å; V73-I77 WeakPolarHBondContact O-CG1 3.32Å; V73-I77 PolarHBondContact O-N 3.49Å; V73-L100 HydrophobicContact CG1-CD2 4.49Å; V73-M231 HydrophobicContact CG1-SD 3.78Å
74V97Very high97.3Very high11 Ų1159.2 Ų59.27%0.06729%0.293CS..Hα-helixtrans-64.8-33.51791700000112.2S70 H71 E72 K78 T86 H88 L100 V102S70-V74 WeakPolarHBondContact O-CB 3.43Å; S70-V74 WeakPolarHBondContact O-CG2 2.99Å; S70-V74 PolarHBondContact O-N 3.02Å; H71-V74 PolarHBondContact O-N 3.11Å; E72-V74 PolarHBondContact O-N 3.37Å; V74-K78 PolarHBondContact O-N 3.32Å; V74-T86 WeakPolarHBondContact CG1-OG1 3.29Å; V74-T86 PolarHBondContact O-OG1 3.28Å; V74-T86 VanDerWaalsContact O-OG1 3.04Å; V74-H88 HydrophobicContact CG2-CB 3.79Å; V74-L100 HydrophobicContact CG2-CD2 4.29Å; V74-V102 HydrophobicContact CG1-CG1 4.44Å; V74-V102 HydrophobicContact CG2-CG1 4.28Å; V74-V102 HydrophobicContact CG2-CG2 4.05Å
75A98.1Very high97.3Very high55 Ų5564.4 Ų64.446%0.45532%0.316SS..Hα-helixtrans-70-38.117400000112H71 E72 V73 K78 R79H71-A75 WeakPolarHBondContact O-CB 2.94Å; H71-A75 PolarHBondContact O-N 2.9Å; E72-A75 WeakPolarHBondContact O-CB 3.43Å; E72-A75 PolarHBondContact O-N 3.35Å; E72-A75 VanDerWaalsContact O-N 3.16Å; V73-A75 VanDerWaalsContact C-N 3.29Å; V73-A75 PolarHBondContact O-N 3.48Å; A75-K78 WeakPolarHBondContact O-CB 3.35Å; A75-K78 PolarHBondContact O-N 2.99Å; A75-R79 PolarHBondContact O-N 2.84Å; A75-R79 VanDerWaalsContact O-N 3.09Å
76W98.5Very high97.3Very high98 Ų9863 Ų6337%0.37131%0.306SS..Hα-helixtrans-66.6-43.8173.8-62-24.8000111.8P68 E72 V73 K78 R79 I80 M231P68-W76 HydrophobicContact CB-CH2 3.97Å; P68-W76 HydrophobicContact CB-CZ3 3.84Å; P68-W76 HydrophobicContact CG-CH2 3.93Å; P68-W76 HydrophobicContact CG-CZ3 3.78Å; E72-W76 HydrophobicContact CB-CH2 4.29Å; E72-W76 HydrophobicContact CB-CZ2 4.09Å; E72-W76 VanDerWaalsContact O-CG 3.26Å; E72-W76 PolarHBondContact O-N 3.02Å; V73-W76 HydrophobicContact CG2-CE3 4.37Å; V73-W76 HydrophobicContact CG2-CZ3 4.31Å; V73-W76 PolarHBondContact O-N 2.9Å; W76-K78 VanDerWaalsContact C-N 3.29Å; W76-K78 PolarHBondContact O-N 3Å; W76-R79 WeakPolarHBondContact O-CB 3.48Å; W76-R79 PolarHBondContact O-N 2.88Å; W76-R79 VanDerWaalsContact O-N 3.08Å; W76-I80 VanDerWaalsContact O-CG1 3.3Å; W76-I80 WeakPolarHBondContact O-CG1 3.38Å; W76-I80 PolarHBondContact O-N 3.31Å; W76-M231 HydrophobicContact CB-CE 3.61Å; W76-M231 HydrophobicContact CE3-CE 4.35Å
77I98.4Very high97.3Very high0 Ų060.8 Ų60.80%030%0.296CS..Hα-helixtrans-56.2-45.4172.9-67.9-66.9000111.1L60 L62 V73 R79 I80 L81 T86 V102 M231 V234L60-I77 HydrophobicContact CD1-CD1 4.2Å; L60-I77 HydrophobicContact CD1-CG2 3.68Å; L62-I77 HydrophobicContact CD1-CD1 3.99Å; L62-I77 HydrophobicContact CD2-CD1 4.33Å; L62-I77 HydrophobicContact CD2-CG1 4.16Å; V73-I77 WeakPolarHBondContact O-CG1 3.32Å; V73-I77 PolarHBondContact O-N 3.49Å; I77-R79 VanDerWaalsContact C-N 3.27Å; I77-R79 PolarHBondContact O-N 2.89Å; I77-I80 PolarHBondContact O-N 2.89Å; I77-L81 HydrophobicContact CG2-CD1 3.95Å; I77-L81 HydrophobicContact CG2-CG 4.5Å; I77-L81 PolarHBondContact O-N 3.1Å; I77-T86 HydrophobicContact CG2-CG2 4.46Å; I77-V102 HydrophobicContact CG2-CG1 4.03Å; I77-M231 HydrophobicContact CD1-CE 3.77Å; I77-M231 HydrophobicContact CD1-SD 3.28Å; I77-M231 WeakPolarHBondContact CD1-SD 3.42Å; I77-M231 HydrophobicContact CG1-CE 4.02Å; I77-M231 HydrophobicContact CG1-SD 3.61Å; I77-V234 HydrophobicContact CD1-CB 3.98Å; I77-V234 HydrophobicContact CD1-CG1 3.8Å; I77-V234 HydrophobicContact CD1-CG2 3.76Å
78K98.5Very high97.2Very high89 Ų8955.5 Ų55.539%0.38727%0.267SS..Hα-helixtrans-55.6-44.3176-176.3-177.8157.2169.80111.7V74 A75 W76 R82 V83 P84 T86V74-K78 PolarHBondContact O-N 3.32Å; A75-K78 WeakPolarHBondContact O-CB 3.35Å; A75-K78 PolarHBondContact O-N 2.99Å; W76-K78 VanDerWaalsContact C-N 3.29Å; W76-K78 PolarHBondContact O-N 3Å; K78-R82 WeakPolarHBondContact O-CA 3.36Å; K78-R82 PolarHBondContact O-N 3.38Å; K78-V83 HydrophobicContact CB-CG2 4.46Å; K78-V83 VanDerWaalsContact CE-O 3.26Å; K78-V83 WeakPolarHBondContact CE-O 3.29Å; K78-V83 HydrophobicContact CG-CG2 4.15Å; K78-V83 WeakPolarHBondContact CG-O 3.47Å; K78-V83 PolarHBondContact O-N 3.42Å; K78-P84 WeakPolarHBondContact CE-O 3.35Å; K78-P84 PolarHBondContact NZ-O 3.23Å; K78-T86 HydrophobicContact CB-CG2 3.79Å; K78-T86 HydrophobicContact CG-CG2 4.27Å
79R98.4Very high97Very high183 Ų18354.4 Ų54.469%0.69126%0.26SS*.Hα-helixtrans-69.1-44.1-179.8-176174.865.5-176.10.5112A75 W76 I77 R82A75-R79 PolarHBondContact O-N 2.84Å; A75-R79 VanDerWaalsContact O-N 3.09Å; W76-R79 WeakPolarHBondContact O-CB 3.48Å; W76-R79 PolarHBondContact O-N 2.88Å; W76-R79 VanDerWaalsContact O-N 3.08Å; I77-R79 VanDerWaalsContact C-N 3.27Å; I77-R79 PolarHBondContact O-N 2.89Å; R79-R82 PolarHBondContact O-N 2.8Å
80I98Very high96.7Very high28 Ų2853.8 Ų53.814%0.14426%0.258CS..Hα-helixtrans-59.4-55.7178.2-67.4165000109.3W76 I77 R82 M231 V234 L235 Q238W76-I80 VanDerWaalsContact O-CG1 3.3Å; W76-I80 WeakPolarHBondContact O-CG1 3.38Å; W76-I80 PolarHBondContact O-N 3.31Å; I77-I80 PolarHBondContact O-N 2.89Å; I80-R82 PolarHBondContact O-N 3.33Å; I80-M231 HydrophobicContact CD1-CE 3.61Å; I80-V234 HydrophobicContact CG2-CG1 3.91Å; I80-L235 HydrophobicContact CG1-CD1 4.29Å; I80-L235 HydrophobicContact CG2-CB 4.47Å; I80-L235 HydrophobicContact CG2-CD1 4.16Å; I80-Q238 HydrophobicContact CG2-CB 4Å; I80-Q238 HydrophobicContact CG2-CG 4.45Å; I80-Q238 WeakPolarHBondContact O-CG 3.35Å
81L98.1Very high96.5Very high8 Ų857.9 Ų57.94%0.04228%0.283CS..THydrogen-bonded Turntrans-75.4-4.9-177.4-64.2179.1000114.3L60 I77 V83 I104 V234 L250 I254L60-L81 HydrophobicContact CD1-CD1 4.15Å; I77-L81 HydrophobicContact CG2-CD1 3.95Å; I77-L81 HydrophobicContact CG2-CG 4.5Å; I77-L81 PolarHBondContact O-N 3.1Å; L81-V83 HydrophobicContact CB-CG1 3.94Å; L81-V83 HydrophobicContact CB-CG2 4.04Å; L81-V83 WeakPolarHBondContact O-CG1 3.46Å; L81-V83 PolarHBondContact O-N 2.91Å; L81-I104 HydrophobicContact CD1-CD1 3.59Å; L81-I104 HydrophobicContact CD1-CG1 4.34Å; L81-V234 HydrophobicContact CD1-CG1 4.29Å; L81-V234 HydrophobicContact CD2-CG1 3.8Å; L81-V234 HydrophobicContact CG-CG1 3.89Å; L81-L250 HydrophobicContact CD2-CD2 3.94Å; L81-I254 HydrophobicContact CD1-CD1 4.23Å; L81-I254 HydrophobicContact CD2-CD1 4.36Å
82R97.5Very high96.5Very high167 Ų16752.4 Ų52.463%0.6326%0.258SS*.THydrogen-bonded Turntrans53.337.2-178.2-54171.6-167.2144.48.8113.1K78 R79 I80 D242K78-R82 WeakPolarHBondContact O-CA 3.36Å; K78-R82 PolarHBondContact O-N 3.38Å; R79-R82 PolarHBondContact O-N 2.8Å; I80-R82 PolarHBondContact O-N 3.33Å; R82-D242 IonicContact CZ-OD1 2.9Å; R82-D242 IonicContact CZ-OD2 2.84Å; R82-D242 IonicContact NH1-OD1 3.87Å; R82-D242 PolarHBondContact NH1-OD1 2.86Å; R82-D242 IonicContact NH1-OD2 2.76Å; R82-D242 PolarHBondContact NH1-OD2 2.95Å; R82-D242 IonicContact NH2-OD1 2.73Å; R82-D242 IonicContact NH2-OD2 3.65Å; R82-D242 PolarHBondContact NH2-OD2 3.32Å
83V97.6Very high96.2Very high16 Ų1650.5 Ų50.510%0.09725%0.251CS..  trans-96150.8-176.9-70.10000111.6I55 K78 L81 K85 T86 I104I55-V83 HydrophobicContact CG2-CG1 3.62Å; K78-V83 HydrophobicContact CB-CG2 4.46Å; K78-V83 VanDerWaalsContact CE-O 3.26Å; K78-V83 WeakPolarHBondContact CE-O 3.29Å; K78-V83 HydrophobicContact CG-CG2 4.15Å; K78-V83 WeakPolarHBondContact CG-O 3.47Å; K78-V83 PolarHBondContact O-N 3.42Å; L81-V83 HydrophobicContact CB-CG1 3.94Å; L81-V83 HydrophobicContact CB-CG2 4.04Å; L81-V83 WeakPolarHBondContact O-CG1 3.46Å; L81-V83 PolarHBondContact O-N 2.91Å; V83-K85 VanDerWaalsContact C-N 3.3Å; V83-K85 PolarHBondContact O-N 3.23Å; V83-T86 HydrophobicContact CG2-CG2 3.72Å; V83-I104 HydrophobicContact CB-CG2 3.94Å; V83-I104 HydrophobicContact CG1-CG2 3.73Å; V83-I104 HydrophobicContact CG2-CG2 3.99Å
84P96.9Very high96.1Very high87 Ų8753.5 Ų53.557%0.56527%0.27SS*.SBendtrans-69.6-30.3-174.426.7-35.2000112.6K78 D105K78-P84 WeakPolarHBondContact CE-O 3.35Å; K78-P84 PolarHBondContact NZ-O 3.23Å; P84-D105 HydrophobicContact CG-CB 4.26Å
85K97.6Very high96Very high109 Ų10960.6 Ų60.647%0.47430%0.3SS..  trans-151.9142-171.2-168.4-173179.7-167.50111.3V83 D105 T108V83-K85 VanDerWaalsContact C-N 3.3Å; V83-K85 PolarHBondContact O-N 3.23Å; K85-D105 PolarHBondContact O-N 3.23Å; K85-T108 HydrophobicContact CD-CG2 4.23Å; K85-T108 WeakPolarHBondContact CE-OG1 3.44Å; K85-T108 HydrophobicContact CG-CG2 4.18Å; K85-T108 PolarHBondContact NZ-OG1 2.78Å; K85-T108 VanDerWaalsContact NZ-OG1 3.11Å
86T97.7Very high95.9Very high23 Ų2358.1 Ų58.114%0.14128%0.279CS..EExtended strand (participates in β ladder)trans-136.2161.7169.752.90000109.3V74 I77 K78 V83 C103V74-T86 WeakPolarHBondContact CG1-OG1 3.29Å; V74-T86 PolarHBondContact O-OG1 3.28Å; V74-T86 VanDerWaalsContact O-OG1 3.04Å; I77-T86 HydrophobicContact CG2-CG2 4.46Å; K78-T86 HydrophobicContact CB-CG2 3.79Å; K78-T86 HydrophobicContact CG-CG2 4.27Å; V83-T86 HydrophobicContact CG2-CG2 3.72Å; T86-C103 CarbonylContact C-O 3.5Å; T86-C103 VanDerWaalsContact CA-O 3.27Å; T86-C103 WeakPolarHBondContact CA-O 3.23Å
87G96.2Very high95.9Very high15 Ų1554 Ų5416%0.15527%0.265CS..EExtended strand (participates in β ladder)trans-158.6167174.200000110V102 C103G87-V102 CarbonylContact O-C 3.5Å; G87-V102 WeakPolarHBondContact O-CA 3.46Å; G87-C103 PolarHBondContact N-O 2.89Å; G87-C103 PolarHBondContact O-N 2.69Å
88H95.3Very high95.9Very high14 Ų1454 Ų547%0.06527%0.265CS..EExtended strand (participates in β ladder)trans-133.2158.5-174.866.885.2000114.6H71 V74 G90 T91 L100 I101 Q115H71-H88 AromaticContact NE2-NE2 3.84Å; V74-H88 HydrophobicContact CG2-CB 3.79Å; H88-G90 VanDerWaalsContact CE1-C 3.45Å; H88-G90 PolarHBondContact ND1-N 3.24Å; H88-G90 PolarHBondContact ND1-O 3.33Å; H88-G90 PolarHBondContact O-N 2.75Å; H88-T91 PolarHBondContact CE1-N 2.8Å; H88-T91 PolarHBondContact CE1-OG1 3.07Å; H88-L100 HydrophobicContact CB-CD1 3.83Å; H88-L100 HydrophobicContact CB-CG 4.19Å; H88-I101 CarbonylContact C-O 3.48Å; H88-I101 WeakPolarHBondContact CA-O 3.35Å; H88-I101 WeakPolarHBondContact CB-O 3.12Å; H88-Q115 PolarHBondContact O-NE2 2.91Å
89S90.8Very high95.8Very high0 Ų049.8 Ų49.80%025%0.247CC..SBendtrans-77.930-178.465.10000115.5I101 Q115 S219S89-I101 PolarHBondContact N-O 3.28Å; S89-I101 VanDerWaalsContact OG-CB 3.32Å; S89-I101 WeakPolarHBondContact OG-CB 3.38Å; S89-I101 PolarHBondContact OG-N 3.37Å; S89-Q115 VanDerWaalsContact C-CG 3.47Å; S89-Q115 WeakPolarHBondContact O-CA 3.26Å; S89-S219 PolarHBondContact OG-OG 2.86Å
90G90.7Very high95.8Very high15 Ų1541 Ų4116%0.15521%0.214CC..SBendtrans114.6140.1177.100000113.1H88 L100 R216H88-G90 VanDerWaalsContact CE1-C 3.45Å; H88-G90 PolarHBondContact ND1-N 3.24Å; H88-G90 PolarHBondContact ND1-O 3.33Å; H88-G90 PolarHBondContact O-N 2.75Å; G90-L100 WeakPolarHBondContact O-CD1 3.17Å; G90-R216 PolarHBondContact O-NH1 3.15Å; G90-R216 PolarHBondContact O-NH2 3.21Å
91T92Very high95.8Very high86 Ų8639.7 Ų39.753%0.52821%0.207SC..PPolyproline II helixtrans-70.4132.9-171.2-49.90000110.5H88H88-T91 PolarHBondContact CE1-N 2.8Å; H88-T91 PolarHBondContact CE1-OG1 3.07Å
92L93.1Very high95.8Very high4 Ų439.3 Ų39.32%0.02121%0.205CC..PPolyproline II helixtrans-97.2137.1162.7-71.6168.4000107.8K64 S70 V96 L100 Y121 R216K64-L92 HydrophobicContact CB-CD1 4.07Å; K64-L92 HydrophobicContact CD-CB 3.6Å; K64-L92 HydrophobicContact CD-CD1 3.7Å; K64-L92 HydrophobicContact CD-CG 4.26Å; S70-L92 PolarHBondContact OG-N 2.84Å; S70-L92 PolarHBondContact OG-O 2.91Å; L92-V96 HydrophobicContact CB-CB 4.32Å; L92-V96 HydrophobicContact CB-CG1 4.48Å; L92-V96 HydrophobicContact CD2-CB 4.33Å; L92-V96 HydrophobicContact CD2-CG1 3.62Å; L92-L100 HydrophobicContact CD1-CB 4.29Å; L92-Y121 HydrophobicContact CD2-CE1 4.17Å; L92-R216 HydrophobicContact CD1-CB 4.49Å; L92-R216 HydrophobicContact CD2-CB 3.86Å; L92-R216 HydrophobicContact CD2-CG 4.48Å; L92-R216 VanDerWaalsContact CD2-CZ 3.41Å; L92-R216 VanDerWaalsContact CG-CZ 3.41Å
93D92.4Very high95.8Very high52 Ų5231.4 Ų31.428%0.27818%0.175SC..PPolyproline II helixtrans-56.1151.6171.7-74.7-10.9000109.5K64 K95 V96 R195K64-D93 PolarHBondContact NZ-O 2.85Å; D93-K95 PolarHBondContact O-N 3.09Å; D93-K95 VanDerWaalsContact O-N 3.12Å; D93-V96 HydrophobicContact CB-CB 4.46Å; D93-V96 HydrophobicContact CB-CG2 3.69Å; D93-V96 WeakPolarHBondContact O-CB 3.45Å; D93-V96 PolarHBondContact O-N 3.41Å; D93-R195 IonicContact OD2-CZ 3.54Å; D93-R195 IonicContact OD2-NH2 3.88Å; D93-R195 PolarHBondContact OD2-NH2 3.21Å
94P94.8Very high95.8Very high63 Ų6330.6 Ų30.641%0.40917%0.171SC..THydrogen-bonded Turntrans-50.3-41.8-177.9-31.336.7000114K64 N67 P68 V96K64-P94 PolarHBondContact NZ-O 2.86Å; K64-P94 VanDerWaalsContact NZ-O 3.07Å; N67-P94 WeakPolarHBondContact CA-O 3.31Å; N67-P94 PolarHBondContact N-O 2.78Å; N67-P94 WeakPolarHBondContact O-CB 3.37Å; P68-P94 WeakPolarHBondContact O-CA 3.16Å; P94-V96 PolarHBondContact O-N 3.26Å
95K94.9Very high95.8Very high161 Ų16128.7 Ų28.770%0.716%0.156SC*.THydrogen-bonded Turntrans-77.3-0-179.8-62.6-168.6176.6-169.40115.2D93D93-K95 PolarHBondContact O-N 3.09Å; D93-K95 VanDerWaalsContact O-N 3.12Å
96V96.8Very high95.7Very high3 Ų324.9 Ų24.92%0.01814%0.138CC..  trans-105.2130.9-173.7-176.30000109.5K64 L92 D93 P94 L214K64-V96 PolarHBondContact NZ-O 3.13Å; L92-V96 HydrophobicContact CB-CB 4.32Å; L92-V96 HydrophobicContact CB-CG1 4.48Å; L92-V96 HydrophobicContact CD2-CB 4.33Å; L92-V96 HydrophobicContact CD2-CG1 3.62Å; D93-V96 HydrophobicContact CB-CB 4.46Å; D93-V96 HydrophobicContact CB-CG2 3.69Å; D93-V96 WeakPolarHBondContact O-CB 3.45Å; D93-V96 PolarHBondContact O-N 3.41Å; P94-V96 PolarHBondContact O-N 3.26Å; V96-L214 WeakPolarHBondContact CA-O 3.46Å; V96-L214 HydrophobicContact CG1-CB 4.01Å; V96-L214 HydrophobicContact CG1-CD2 3.81Å; V96-L214 HydrophobicContact CG1-CG 3.86Å; V96-L214 VanDerWaalsContact CG1-O 3.31Å; V96-L214 WeakPolarHBondContact CG1-O 3.37Å; V96-L214 HydrophobicContact CG2-CB 4.06Å; V96-L214 HydrophobicContact CG2-CD2 3.93Å; V96-L214 HydrophobicContact CG2-CG 4.43Å
97S98.2Very high95.6Very high11 Ų1123.8 Ų23.88%0.07713%0.132CC..EExtended strand (participates in β ladder)trans-102.4178.3-179.964.30000113K64 L214 R215 R216K64-S97 WeakPolarHBondContact O-CA 3.37Å; K64-S97 WeakPolarHBondContact O-CB 3.35Å; S97-L214 PolarHBondContact N-O 2.71Å; S97-R215 WeakPolarHBondContact O-CA 3.19Å; S97-R216 PolarHBondContact O-N 3.43Å
98G97.7Very high95.6Very high0 Ų023.8 Ų23.80%013%0.129CC..EExtended strand (participates in β ladder)trans99.4-161.217000000114D63 K64 L100 R216D63-G98 WeakPolarHBondContact OD1-CA 3.47Å; D63-G98 PolarHBondContact OD1-N 2.75Å; K64-G98 PolarHBondContact N-O 3.27Å; K64-G98 PolarHBondContact O-N 3.47Å; G98-L100 PolarHBondContact O-N 2.93Å; G98-R216 CarbonylContact C-O 3.58Å; G98-R216 WeakPolarHBondContact CA-O 3.43Å
99C97.9Very high95.6Very high0 Ų027.9 Ų27.90%014%0.144CC..EExtended strand (participates in β ladder)trans-56.3117.6-165.4-590000112.8L62 R216 T217 S223 E224 L228L62-C99 CarbonylContact O-C 3.56Å; C99-R216 PolarHBondContact N-O 2.9Å; C99-R216 PolarHBondContact O-NE 3.47Å; C99-R216 PolarHBondContact O-NH2 2.91Å; C99-R216 PolarHBondContact SG-O 3.19Å; C99-R216 VanDerWaalsContact SG-O 3.41Å; C99-T217 VanDerWaalsContact SG-C 3.59Å; C99-T217 PolarHBondContact SG-O 3.45Å; C99-S223 VanDerWaalsContact SG-C 3.51Å; C99-E224 PolarHBondContact SG-N 2.81Å; C99-L228 HydrophobicContact CB-CD1 4.41Å
100L97.3Very high95.7Very high0 Ų027.9 Ų27.90%014%0.144CC..EExtended strand (participates in β ladder)trans-129106.9170.6-178.368.4000108.3L62 K64 V73 V74 H88 G90 L92 G98 V102 R216L62-L100 WeakPolarHBondContact CB-O 3.47Å; L62-L100 PolarHBondContact N-O 3.31Å; L62-L100 PolarHBondContact O-N 2.84Å; K64-L100 HydrophobicContact CB-CB 4.08Å; K64-L100 HydrophobicContact CB-CD2 4.22Å; K64-L100 HydrophobicContact CD-CD2 4.39Å; K64-L100 HydrophobicContact CG-CD2 4.31Å; V73-L100 HydrophobicContact CG1-CD2 4.49Å; V74-L100 HydrophobicContact CG2-CD2 4.29Å; H88-L100 HydrophobicContact CB-CD1 3.83Å; H88-L100 HydrophobicContact CB-CG 4.19Å; G90-L100 WeakPolarHBondContact O-CD1 3.17Å; L92-L100 HydrophobicContact CD1-CB 4.29Å; G98-L100 PolarHBondContact O-N 2.93Å; L100-V102 HydrophobicContact CD2-CG2 4.31Å; L100-V102 HydrophobicContact CG-CG2 4.25Å; L100-V102 PolarHBondContact O-N 2.85Å; L100-R216 VanDerWaalsContact CD1-NH2 3.31Å
101I97.6Very high95.8Very high0 Ų027.6 Ų27.60%014%0.14CC..EExtended strand (participates in β ladder)trans-68.4120.1172.8-58.8169.8000107.4F59 L60 H88 S89 Q114 S219 T222 L260F59-I101 HydrophobicContact CB-CG2 4.16Å; F59-I101 HydrophobicContact CD2-CG2 3.69Å; F59-I101 HydrophobicContact CE2-CG2 4.47Å; F59-I101 HydrophobicContact CG-CG2 4.17Å; L60-I101 CarbonylContact O-C 3.53Å; L60-I101 VanDerWaalsContact O-CA 3.27Å; L60-I101 WeakPolarHBondContact O-CA 3.27Å; H88-I101 CarbonylContact C-O 3.48Å; H88-I101 WeakPolarHBondContact CA-O 3.35Å; H88-I101 WeakPolarHBondContact CB-O 3.12Å; S89-I101 PolarHBondContact N-O 3.28Å; S89-I101 VanDerWaalsContact OG-CB 3.32Å; S89-I101 WeakPolarHBondContact OG-CB 3.38Å; S89-I101 PolarHBondContact OG-N 3.37Å; I101-Q114 HydrophobicContact CD1-CB 4.47Å; I101-S219 VanDerWaalsContact CD1-O 3.28Å; I101-S219 WeakPolarHBondContact CD1-O 3.22Å; I101-T222 HydrophobicContact CD1-CG2 4.13Å; I101-T222 WeakPolarHBondContact CD1-OG1 3.31Å; I101-T222 HydrophobicContact CG1-CG2 4.29Å; I101-T222 VanDerWaalsContact CG1-OG1 3.26Å; I101-T222 WeakPolarHBondContact CG1-OG1 3.37Å; I101-L260 HydrophobicContact CD1-CD2 3.89Å; I101-L260 HydrophobicContact CG2-CD1 4.39Å; I101-L260 HydrophobicContact CG2-CD2 4.33Å
102V98.1Very high95.8Very high0 Ų028.6 Ų28.60%014%0.137CC..EExtended strand (participates in β ladder)trans-107.1107.9172.8-175.90000108.2F59 L60 L62 V74 I77 G87 L100F59-V102 CarbonylContact C-O 3.57Å; F59-V102 WeakPolarHBondContact CA-O 3.23Å; F59-V102 WeakPolarHBondContact CB-O 3.48Å; L60-V102 HydrophobicContact CB-CB 4.34Å; L60-V102 PolarHBondContact N-O 3.37Å; L60-V102 PolarHBondContact O-N 3.47Å; L62-V102 HydrophobicContact CB-CG2 4.06Å; L62-V102 HydrophobicContact CD2-CG2 4.06Å; V74-V102 HydrophobicContact CG1-CG1 4.44Å; V74-V102 HydrophobicContact CG2-CG1 4.28Å; V74-V102 HydrophobicContact CG2-CG2 4.05Å; I77-V102 HydrophobicContact CG2-CG1 4.03Å; G87-V102 CarbonylContact O-C 3.5Å; G87-V102 WeakPolarHBondContact O-CA 3.46Å; L100-V102 HydrophobicContact CD2-CG2 4.31Å; L100-V102 HydrophobicContact CG-CG2 4.25Å; L100-V102 PolarHBondContact O-N 2.85Å
103C98.1Very high95.6Very high0 Ų029.9 Ų29.90%015%0.146CC..EExtended strand (participates in β ladder)trans-83.4135.6174.9-59.60000110.3T86 G87 A107 T108T86-C103 CarbonylContact C-O 3.5Å; T86-C103 VanDerWaalsContact CA-O 3.27Å; T86-C103 WeakPolarHBondContact CA-O 3.23Å; G87-C103 PolarHBondContact N-O 2.89Å; G87-C103 PolarHBondContact O-N 2.69Å; C103-A107 VanDerWaalsContact CB-C 3.46Å; C103-A107 HydrophobicContact CB-CB 3.89Å; C103-A107 WeakPolarHBondContact CB-O 3.39Å; C103-T108 HydrophobicContact CB-CG2 4.3Å; C103-T108 WeakPolarHBondContact O-CG2 3.16Å
104I98.4Very high95.5Very high0 Ų027.8 Ų27.80%014%0.135CC..EExtended strand (participates in β ladder)trans-101.3139.2178.2-58.6164.3000108.9I55 G58 L81 V83 R106 A107 I254I55-I104 HydrophobicContact CG2-CD1 4.28Å; I55-I104 HydrophobicContact CG2-CG2 4.16Å; I55-I104 WeakPolarHBondContact O-CB 3.38Å; I55-I104 VanDerWaalsContact O-CG2 3.24Å; I55-I104 WeakPolarHBondContact O-CG2 3.4Å; G58-I104 PolarHBondContact O-N 3.4Å; L81-I104 HydrophobicContact CD1-CD1 3.59Å; L81-I104 HydrophobicContact CD1-CG1 4.34Å; V83-I104 HydrophobicContact CB-CG2 3.94Å; V83-I104 HydrophobicContact CG1-CG2 3.73Å; V83-I104 HydrophobicContact CG2-CG2 3.99Å; I104-R106 PolarHBondContact O-N 2.85Å; I104-A107 WeakPolarHBondContact O-CA 3.4Å; I104-A107 VanDerWaalsContact O-CB 3.28Å; I104-A107 WeakPolarHBondContact O-CB 3.19Å; I104-A107 PolarHBondContact O-N 3.38Å; I104-I254 HydrophobicContact CD1-CD1 4.07Å; I104-I254 HydrophobicContact CD1-CG1 4.26Å; I104-I254 HydrophobicContact CD1-CG2 4.25Å
105D96.6Very high95.4Very high47 Ų4727.7 Ų27.725%0.25113%0.129SC..G310 helixtrans33-95.7174.6-165.422.8000116.2P84 K85 A107 T108P84-D105 HydrophobicContact CG-CB 4.26Å; K85-D105 PolarHBondContact O-N 3.23Å; D105-A107 PolarHBondContact O-N 3.16Å; D105-T108 VanDerWaalsContact O-CB 3.25Å; D105-T108 WeakPolarHBondContact O-CB 3.45Å; D105-T108 VanDerWaalsContact O-CG2 3.28Å; D105-T108 WeakPolarHBondContact O-CG2 3.32Å; D105-T108 PolarHBondContact O-N 3.43Å; D105-T108 VanDerWaalsContact O-N 3.1Å; D105-T108 PolarHBondContact O-OG1 3.23Å
106R94.5Very high95.3Very high28 Ų2825 Ų2511%0.10612%0.122CC..G310 helixtrans-66-38.5-179.7-64.4-55.8-59.6-146.4-3.4112.9S56 T57 I104 T108 R109 I338 M339 E340S56-R106 WeakPolarHBondContact O-CB 3.37Å; S56-R106 PolarHBondContact O-N 3.2Å; T57-R106 HydrophobicContact CG2-CB 4.08Å; T57-R106 HydrophobicContact CG2-CG 4.29Å; I104-R106 PolarHBondContact O-N 2.85Å; R106-T108 PolarHBondContact O-N 3.06Å; R106-T108 VanDerWaalsContact O-N 3.14Å; R106-R109 VanDerWaalsContact O-CB 3.32Å; R106-R109 WeakPolarHBondContact O-CB 3.32Å; R106-R109 WeakPolarHBondContact O-CG 3.18Å; R106-R109 PolarHBondContact O-N 3.06Å; R106-R109 VanDerWaalsContact O-N 3.16Å; R106-I338 PolarHBondContact NE-O 2.88Å; R106-I338 PolarHBondContact NH2-O 3.5Å; R106-M339 PolarHBondContact NH2-O 2.95Å; R106-E340 VanDerWaalsContact CD-OE1 3.23Å; R106-E340 WeakPolarHBondContact CD-OE1 3.39Å; R106-E340 HydrophobicContact CG-CG 4.32Å; R106-E340 IonicContact CZ-OE1 3.31Å; R106-E340 IonicContact NE-OE1 3.22Å; R106-E340 IonicContact NH1-OE1 3.65Å; R106-E340 PolarHBondContact NH1-OE1 2.86Å
107A96.8Very high95.1Very high0 Ų026.2 Ų26.20%013%0.133CC..G310 helixtrans-62.5-19.5175.200000112.1G58 C103 I104 D105 R109 L110 L257G58-A107 WeakPolarHBondContact O-CB 3.48Å; C103-A107 VanDerWaalsContact CB-C 3.46Å; C103-A107 HydrophobicContact CB-CB 3.89Å; C103-A107 WeakPolarHBondContact CB-O 3.39Å; I104-A107 WeakPolarHBondContact O-CA 3.4Å; I104-A107 VanDerWaalsContact O-CB 3.28Å; I104-A107 WeakPolarHBondContact O-CB 3.19Å; I104-A107 PolarHBondContact O-N 3.38Å; D105-A107 PolarHBondContact O-N 3.16Å; A107-R109 PolarHBondContact O-N 3.13Å; A107-L110 WeakPolarHBondContact O-CB 3.3Å; A107-L110 PolarHBondContact O-N 3.04Å; A107-L257 HydrophobicContact CB-CB 4.03Å; A107-L257 HydrophobicContact CB-CD2 4.31Å
108T96.3Very high94.9Very high16 Ų1627.2 Ų27.210%0.09815%0.145CC..G310 helixtrans-59-20.3175.968.80000112.9K85 C103 D105 R106 L110 A111K85-T108 HydrophobicContact CD-CG2 4.23Å; K85-T108 WeakPolarHBondContact CE-OG1 3.44Å; K85-T108 HydrophobicContact CG-CG2 4.18Å; K85-T108 PolarHBondContact NZ-OG1 2.78Å; K85-T108 VanDerWaalsContact NZ-OG1 3.11Å; C103-T108 HydrophobicContact CB-CG2 4.3Å; C103-T108 WeakPolarHBondContact O-CG2 3.16Å; D105-T108 VanDerWaalsContact O-CB 3.25Å; D105-T108 WeakPolarHBondContact O-CB 3.45Å; D105-T108 VanDerWaalsContact O-CG2 3.28Å; D105-T108 WeakPolarHBondContact O-CG2 3.32Å; D105-T108 PolarHBondContact O-N 3.43Å; D105-T108 VanDerWaalsContact O-N 3.1Å; D105-T108 PolarHBondContact O-OG1 3.23Å; R106-T108 PolarHBondContact O-N 3.06Å; R106-T108 VanDerWaalsContact O-N 3.14Å; T108-L110 PolarHBondContact O-N 3.42Å; T108-A111 VanDerWaalsContact O-CB 3.26Å; T108-A111 WeakPolarHBondContact O-CB 3.44Å; T108-A111 PolarHBondContact O-N 2.92Å; T108-A111 VanDerWaalsContact O-N 3.16Å
109R94Very high94.9Very high99 Ų9927.8 Ų27.837%0.37415%0.147SC..G310 helixtrans-61.2-28.2171.5-67172.6175.1-89.2-6.2112.5R106 A107 R336 V337R106-R109 VanDerWaalsContact O-CB 3.32Å; R106-R109 WeakPolarHBondContact O-CB 3.32Å; R106-R109 WeakPolarHBondContact O-CG 3.18Å; R106-R109 PolarHBondContact O-N 3.06Å; R106-R109 VanDerWaalsContact O-N 3.16Å; A107-R109 PolarHBondContact O-N 3.13Å; R109-R336 WeakPolarHBondContact O-CD 3.36Å; R109-R336 PolarHBondContact O-NH1 3.15Å; R109-V337 WeakPolarHBondContact CD-O 3.4Å; R109-V337 PolarHBondContact NH1-O 3Å
110L94.4Very high95Very high0 Ų028.8 Ų28.80%015%0.152CC..G310 helixtrans-87.5-15.3177.6-60.3-177.8000113.3A107 T108 K112 S113 Q114 L257 L260 L261 L313 I338A107-L110 WeakPolarHBondContact O-CB 3.3Å; A107-L110 PolarHBondContact O-N 3.04Å; T108-L110 PolarHBondContact O-N 3.42Å; L110-K112 PolarHBondContact O-N 3.18Å; L110-K112 VanDerWaalsContact O-N 3.09Å; L110-S113 WeakPolarHBondContact O-CB 3.35Å; L110-S113 PolarHBondContact O-N 2.83Å; L110-Q114 WeakPolarHBondContact O-CG 3.36Å; L110-Q114 PolarHBondContact O-N 3.24Å; L110-L257 HydrophobicContact CD1-CB 3.99Å; L110-L257 HydrophobicContact CD1-CD1 4.24Å; L110-L260 HydrophobicContact CB-CD1 4.48Å; L110-L260 HydrophobicContact CD1-CB 4.33Å; L110-L260 HydrophobicContact CD1-CD1 4.16Å; L110-L261 HydrophobicContact CD1-CD1 4.15Å; L110-L261 HydrophobicContact CD1-CD2 4.1Å; L110-L261 HydrophobicContact CD1-CG 4.13Å; L110-L261 HydrophobicContact CD2-CD2 4.06Å; L110-L313 HydrophobicContact CD2-CD1 3.84Å; L110-I338 HydrophobicContact CD2-CD1 3.78Å; L110-I338 HydrophobicContact CD2-CG1 4.04Å
111A92.9Very high95Very high9 Ų929.9 Ų29.97%0.07416%0.156CC..Hα-helixtrans-52.5-41-174.900000112.7T108 Q114 Q115T108-A111 VanDerWaalsContact O-CB 3.26Å; T108-A111 WeakPolarHBondContact O-CB 3.44Å; T108-A111 PolarHBondContact O-N 2.92Å; T108-A111 VanDerWaalsContact O-N 3.16Å; A111-Q114 PolarHBondContact O-N 2.77Å; A111-Q115 WeakPolarHBondContact O-CB 3.09Å; A111-Q115 VanDerWaalsContact O-CG 3.23Å; A111-Q115 WeakPolarHBondContact O-CG 3.43Å; A111-Q115 PolarHBondContact O-N 2.9Å
112K90.4Very high95.1Very high107 Ų10731.7 Ų31.747%0.46517%0.167SC..Hα-helixtrans-66.9-37.2178.6-173.857.5176.9173.10113.5L110 Q115 N116L110-K112 PolarHBondContact O-N 3.18Å; L110-K112 VanDerWaalsContact O-N 3.09Å; K112-Q115 WeakPolarHBondContact O-CB 3.11Å; K112-Q115 PolarHBondContact O-N 2.87Å; K112-N116 PolarHBondContact O-N 2.91Å
113S88.9Confident95.1Very high32 Ų3231.7 Ų31.722%0.22417%0.167CC..Hα-helixtrans-65.6-46.2174.9-179.60000109.6L110 Q115 N116 A117L110-S113 WeakPolarHBondContact O-CB 3.35Å; L110-S113 PolarHBondContact O-N 2.83Å; S113-Q115 VanDerWaalsContact C-N 3.3Å; S113-Q115 PolarHBondContact O-N 2.77Å; S113-N116 PolarHBondContact O-N 2.7Å; S113-A117 PolarHBondContact O-N 2.73Å
114Q91.6Very high95.1Very high8 Ų833.3 Ų33.34%0.03718%0.177CC..Hα-helixtrans-65.5-30.3178.2-59.1-53.1-42.100113.4I101 L110 A111 N116 A117 K119 L260I101-Q114 HydrophobicContact CD1-CB 4.47Å; L110-Q114 WeakPolarHBondContact O-CG 3.36Å; L110-Q114 PolarHBondContact O-N 3.24Å; A111-Q114 PolarHBondContact O-N 2.77Å; Q114-N116 VanDerWaalsContact C-N 3.3Å; Q114-N116 PolarHBondContact O-N 2.9Å; Q114-A117 PolarHBondContact O-N 3.03Å; Q114-K119 PolarHBondContact O-NZ 3.21Å; Q114-L260 HydrophobicContact CG-CD1 4.1Å; Q114-L260 HydrophobicContact CG-CD2 4.48Å
115Q92.8Very high95.2Very high61 Ų6133.4 Ų33.429%0.28518%0.177SC..Hα-helixtrans-60-39.9171.6-81.1169.911.600112.6H88 S89 A111 K112 S113 A190H88-Q115 PolarHBondContact O-NE2 2.91Å; S89-Q115 VanDerWaalsContact C-CG 3.47Å; S89-Q115 WeakPolarHBondContact O-CA 3.26Å; A111-Q115 WeakPolarHBondContact O-CB 3.09Å; A111-Q115 VanDerWaalsContact O-CG 3.23Å; A111-Q115 WeakPolarHBondContact O-CG 3.43Å; A111-Q115 PolarHBondContact O-N 2.9Å; K112-Q115 WeakPolarHBondContact O-CB 3.11Å; K112-Q115 PolarHBondContact O-N 2.87Å; S113-Q115 VanDerWaalsContact C-N 3.3Å; S113-Q115 PolarHBondContact O-N 2.77Å; Q115-A190 WeakPolarHBondContact O-CB 3.28Å
116N91.7Very high95.3Very high105 Ų10535.3 Ų35.356%0.56118%0.183SC*.Hα-helixtrans-82.8-16.5-176.8-66.8-10.8000112.9K112 S113 Q114 A190K112-N116 PolarHBondContact O-N 2.91Å; S113-N116 PolarHBondContact O-N 2.7Å; Q114-N116 VanDerWaalsContact C-N 3.3Å; Q114-N116 PolarHBondContact O-N 2.9Å; N116-A190 WeakPolarHBondContact O-CB 3.42Å
117A93Very high95.4Very high28 Ų2834.1 Ų34.123%0.23118%0.179CC..SBendtrans-61.8153.5178.900000112.3S113 Q114 K119S113-A117 PolarHBondContact O-N 2.73Å; Q114-A117 PolarHBondContact O-N 3.03Å; A117-K119 PolarHBondContact O-NZ 3.04Å
118G94.8Very high95.5Very high32 Ų3240.1 Ų40.133%0.3321%0.207SC..  trans-57.515517600000113C188 G220G118-C188 WeakPolarHBondContact CA-O 3.41Å; G118-G220 WeakPolarHBondContact O-CA 3.28Å; G118-G220 PolarHBondContact O-N 2.74Å
119K97.5Very high95.5Very high12 Ų1240.5 Ų40.55%0.05221%0.213CC..EExtended strand (participates in β ladder)trans-130.8149-176.6-57.1-61.7-176.8-90.20110.3Q114 A117 Y121 C188 S219Q114-K119 PolarHBondContact O-NZ 3.21Å; A117-K119 PolarHBondContact O-NZ 3.04Å; K119-Y121 HydrophobicContact CB-CD2 4.38Å; K119-Y121 HydrophobicContact CB-CE2 3.53Å; K119-Y121 HydrophobicContact CG-CE2 4.49Å; K119-C188 PolarHBondContact N-O 3.45Å; K119-C188 PolarHBondContact O-N 2.92Å; K119-S219 WeakPolarHBondContact CE-OG 3.3Å
120E98.5Very high95.6Very high20 Ų2042.3 Ų42.39%0.09323%0.229CC..EExtended strand (participates in β ladder)trans-122139.6172.5-166.6176.4143.800110R185 V186 K187 R216 T217 R218E120-R185 HydrophobicContact CG-CG 4.15Å; E120-R185 WeakPolarHBondContact OE1-CD 3.47Å; E120-R185 WeakPolarHBondContact OE1-CG 3.36Å; E120-R185 IonicContact OE1-CZ 3.5Å; E120-R185 IonicContact OE1-NE 3.37Å; E120-R185 IonicContact OE1-NH1 3.51Å; E120-R185 PolarHBondContact OE1-NH1 3.22Å; E120-V186 CarbonylContact C-O 3.58Å; E120-V186 VanDerWaalsContact CA-O 3.29Å; E120-V186 WeakPolarHBondContact CA-O 3.07Å; E120-K187 HydrophobicContact CB-CG 4.38Å; E120-K187 HydrophobicContact CG-CG 3.83Å; E120-K187 WeakPolarHBondContact OE2-CE 3.32Å; E120-R216 CarbonylContact O-C 3.58Å; E120-R216 WeakPolarHBondContact O-CA 3.49Å; E120-R216 WeakPolarHBondContact O-CG 3.24Å; E120-T217 WeakPolarHBondContact CG-OG1 3.36Å; E120-T217 PolarHBondContact O-N 3.06Å; E120-T217 PolarHBondContact O-OG1 3.34Å; E120-R218 HydrophobicContact CB-CB 3.58Å; E120-R218 PolarHBondContact N-O 2.96Å; E120-R218 PolarHBondContact O-N 3.43Å
121Y98.7Very high95.5Very high23 Ų2342.5 Ų42.59%0.0923%0.23CC..EExtended strand (participates in β ladder)trans-132.9151.2179.2-59.2-91.4000111.3L92 K119 R185 V186 I194 L214 R215 R216L92-Y121 HydrophobicContact CD2-CE1 4.17Å; K119-Y121 HydrophobicContact CB-CD2 4.38Å; K119-Y121 HydrophobicContact CB-CE2 3.53Å; K119-Y121 HydrophobicContact CG-CE2 4.49Å; Y121-R185 CarbonylContact O-C 3.54Å; Y121-R185 VanDerWaalsContact O-CA 3.29Å; Y121-R185 WeakPolarHBondContact O-CA 3.33Å; Y121-V186 PolarHBondContact N-O 2.77Å; Y121-V186 PolarHBondContact O-N 3Å; Y121-I194 HydrophobicContact CD1-CG1 4.5Å; Y121-I194 HydrophobicContact CD2-CD1 3.86Å; Y121-I194 HydrophobicContact CD2-CG1 3.75Å; Y121-I194 HydrophobicContact CE2-CD1 4.38Å; Y121-I194 HydrophobicContact CE2-CG1 4.19Å; Y121-I194 HydrophobicContact CG-CD1 4.41Å; Y121-I194 HydrophobicContact CG-CG1 3.93Å; Y121-L214 HydrophobicContact CD1-CD1 4Å; Y121-L214 HydrophobicContact CD1-CD2 3.94Å; Y121-L214 HydrophobicContact CD1-CG 3.9Å; Y121-L214 HydrophobicContact CE1-CD2 4.25Å; Y121-L214 HydrophobicContact CG-CD1 4.12Å; Y121-R215 CarbonylContact C-O 3.52Å; Y121-R215 VanDerWaalsContact CA-O 3.23Å; Y121-R215 WeakPolarHBondContact CA-O 3.45Å; Y121-R216 HydrophobicContact CD1-CB 3.67Å; Y121-R216 HydrophobicContact CD1-CG 3.89Å; Y121-R216 HydrophobicContact CE1-CB 3.55Å; Y121-R216 VanDerWaalsContact CE1-CD 3.47Å; Y121-R216 HydrophobicContact CE1-CG 3.55Å; Y121-R216 WeakPolarHBondContact OH-CD 3.46Å
122V98.8Very high95.2Very high38 Ų3849.9 Ų49.923%0.2326%0.263CS..EExtended strand (participates in β ladder)trans-109.7125.2159.8173.10000107.4I183 R215 T217V122-I183 HydrophobicContact CG1-CG2 3.67Å; V122-R215 PolarHBondContact N-O 2.92Å; V122-R215 PolarHBondContact O-N 3.48Å; V122-T217 HydrophobicContact CB-CG2 4.14Å; V122-T217 HydrophobicContact CG2-CG2 3.62Å
123C98.8Very high95.1Very high0 Ų051.3 Ų51.30%027%0.27CS..EExtended strand (participates in β ladder)trans-123.8130.5-172.5178.10000110.1I183 V184 I194 C198 E213 L214C123-I183 WeakPolarHBondContact O-CA 3.45Å; C123-V184 HydrophobicContact CB-CG1 3.84Å; C123-V184 PolarHBondContact N-O 2.87Å; C123-V184 PolarHBondContact O-N 3.25Å; C123-I194 HydrophobicContact CB-CG2 3.76Å; C123-C198 PolarHBondContact SG-SG 3.5Å; C123-E213 WeakPolarHBondContact CA-O 3.48Å; C123-L214 HydrophobicContact CB-CD1 3.63Å
124V98.8Very high95.3Very high34 Ų3454.3 Ų54.321%0.20628%0.278CS..EExtended strand (participates in β ladder)trans-94.7121.8166.6-172.90000107.8I181 G182 I183 L212 E213V124-I181 HydrophobicContact CG1-CG2 3.67Å; V124-G182 CarbonylContact C-O 3.51Å; V124-G182 WeakPolarHBondContact CA-O 3.32Å; V124-I183 HydrophobicContact CG2-CG1 4.43Å; V124-L212 HydrophobicContact CB-CB 4.32Å; V124-L212 HydrophobicContact CG1-CB 4.18Å; V124-L212 HydrophobicContact CG1-CD1 4.13Å; V124-L212 PolarHBondContact O-N 2.9Å; V124-E213 HydrophobicContact CB-CB 4.1Å; V124-E213 HydrophobicContact CG2-CB 4.11Å; V124-E213 PolarHBondContact N-O 2.81Å; V124-E213 PolarHBondContact O-N 3.32Å
125F98.7Very high95.5Very high2 Ų260.8 Ų60.81%0.00931%0.306CS..EExtended strand (participates in β ladder)trans-120155.6177.969.5-89000110.9L127 V137 L172 F175 I181 G182 V184 C198 L201 V210F125-L127 HydrophobicContact CD2-CD2 4.01Å; F125-L127 HydrophobicContact CD2-CG 4.18Å; F125-L127 HydrophobicContact CE2-CD1 4.34Å; F125-L127 HydrophobicContact CE2-CD2 4.01Å; F125-L127 HydrophobicContact CE2-CG 3.97Å; F125-V137 HydrophobicContact CE2-CG1 4.29Å; F125-V137 HydrophobicContact CZ-CG1 3.82Å; F125-L172 HydrophobicContact CE1-CD1 3.99Å; F125-L172 HydrophobicContact CZ-CD1 4.01Å; F125-F175 HydrophobicContact CE2-CD2 4.37Å; F125-F175 HydrophobicContact CE2-CE2 4.23Å; F125-F175 HydrophobicContact CZ-CD2 4.2Å; F125-I181 CarbonylContact O-C 3.55Å; F125-I181 VanDerWaalsContact O-CA 3.31Å; F125-I181 WeakPolarHBondContact O-CA 3.16Å; F125-G182 VanDerWaalsContact CD1-O 3.24Å; F125-G182 WeakPolarHBondContact CD1-O 3.49Å; F125-G182 VanDerWaalsContact CE1-C 3.48Å; F125-G182 PolarHBondContact N-O 3Å; F125-G182 PolarHBondContact O-N 2.74Å; F125-V184 HydrophobicContact CD1-CB 4.36Å; F125-V184 HydrophobicContact CD1-CG1 3.85Å; F125-V184 HydrophobicContact CE1-CB 4.09Å; F125-V184 HydrophobicContact CE1-CG1 4.08Å; F125-C198 HydrophobicContact CB-CB 4.29Å; F125-L201 HydrophobicContact CD2-CD2 3.93Å; F125-L201 HydrophobicContact CE1-CD2 4.35Å; F125-L201 HydrophobicContact CE2-CD2 3.63Å; F125-L201 HydrophobicContact CG-CD2 4.42Å; F125-L201 HydrophobicContact CZ-CD2 3.86Å; F125-V210 CarbonylContact C-O 3.57Å; F125-V210 VanDerWaalsContact CA-O 3.28Å; F125-V210 WeakPolarHBondContact CA-O 3.23Å; F125-V210 WeakPolarHBondContact CB-O 3.46Å
126K98.6Very high95.7Very high88 Ų8864.5 Ų64.538%0.38332%0.318SS..EExtended strand (participates in β ladder)trans-125133.6172.6-177.5171.3-176.11770109.9Q180 I181 G209 V210 L212K126-Q180 CarbonylContact C-O 3.49Å; K126-Q180 WeakPolarHBondContact CA-O 3.47Å; K126-I181 HydrophobicContact CB-CG1 4.17Å; K126-I181 HydrophobicContact CD-CG1 4.27Å; K126-I181 HydrophobicContact CG-CG1 4.07Å; K126-G209 CarbonylContact O-C 3.56Å; K126-G209 VanDerWaalsContact O-CA 3.27Å; K126-G209 WeakPolarHBondContact O-CA 3.46Å; K126-V210 HydrophobicContact CB-CG1 4.08Å; K126-V210 PolarHBondContact N-O 3.17Å; K126-V210 PolarHBondContact O-N 3.04Å; K126-L212 HydrophobicContact CB-CD1 3.89Å; K126-L212 HydrophobicContact CB-CD2 4.06Å; K126-L212 HydrophobicContact CB-CG 3.94Å
127L98.6Very high96Very high2 Ų259.5 Ų59.51%0.0129%0.291CS..EExtended strand (participates in β ladder)trans-90.7145170.1-54.8177.7000109.2F125 V131 V137 F175 Q180 L201 L205 V207 G208F125-L127 HydrophobicContact CD2-CD2 4.01Å; F125-L127 HydrophobicContact CD2-CG 4.18Å; F125-L127 HydrophobicContact CE2-CD1 4.34Å; F125-L127 HydrophobicContact CE2-CD2 4.01Å; F125-L127 HydrophobicContact CE2-CG 3.97Å; L127-V131 HydrophobicContact CD1-CB 4.25Å; L127-V131 HydrophobicContact CD1-CG2 3.64Å; L127-V137 HydrophobicContact CD1-CG2 4.25Å; L127-F175 HydrophobicContact CD1-CE2 3.92Å; L127-F175 HydrophobicContact CD1-CZ 4Å; L127-Q180 HydrophobicContact CB-CB 4.25Å; L127-Q180 PolarHBondContact N-O 2.78Å; L127-L201 HydrophobicContact CD2-CD2 4.44Å; L127-L201 HydrophobicContact CD2-CG 4.43Å; L127-L205 HydrophobicContact CD1-CD1 3.65Å; L127-L205 HydrophobicContact CD2-CD1 4.01Å; L127-V207 HydrophobicContact CB-CG2 3.98Å; L127-V207 HydrophobicContact CD1-CG2 4.4Å; L127-V207 HydrophobicContact CD2-CG2 4.37Å; L127-V207 HydrophobicContact CG-CG2 4.49Å; L127-G208 WeakPolarHBondContact CA-O 3.39Å
128H98Very high96.2Very high127 Ų12761.1 Ų61.159%0.58830%0.295SS*.SBendtrans-87.9-9.1-176.7-50.6159.6000113.7V207 G208H128-V207 WeakPolarHBondContact CB-O 3.27Å; H128-G208 PolarHBondContact N-O 3.21Å; H128-G208 VanDerWaalsContact N-O 3.09Å
129G95.7Very high96.3Very high23 Ų2363.7 Ų63.724%0.23730%0.299CS..SBendtrans-135.3167.5178.700000111.2V131 Q180G129-V131 PolarHBondContact O-N 2.78Å; G129-Q180 PolarHBondContact O-OE1 3.3Å; G129-Q180 VanDerWaalsContact O-OE1 3.12Å
130I96.2Very high96.3Very high138 Ų13863.3 Ų63.371%0.70830%0.298SS*.  trans-74.7124.2-174.1-61.2169.3000110.1E132I130-E132 HydrophobicContact CG2-CG 4.36Å
131V93.4Very high96.3Very high4 Ų462.5 Ų62.52%0.02429%0.294CS..  trans-111.3102.5166.6-177.10000108.6L127 G129 K133 R136 V137 L205 V207L127-V131 HydrophobicContact CD1-CB 4.25Å; L127-V131 HydrophobicContact CD1-CG2 3.64Å; G129-V131 PolarHBondContact O-N 2.78Å; V131-K133 VanDerWaalsContact C-N 3.28Å; V131-K133 PolarHBondContact O-N 2.92Å; V131-R136 HydrophobicContact CG1-CB 3.87Å; V131-V137 HydrophobicContact CB-CG2 4.33Å; V131-V137 HydrophobicContact CG1-CG2 3.82Å; V131-L205 HydrophobicContact CG2-CB 4.46Å; V131-L205 HydrophobicContact CG2-CD1 4.32Å; V131-V207 HydrophobicContact CG2-CG1 4.22Å; V131-V207 HydrophobicContact CG2-CG2 3.98Å
132E85.1Confident96.3Very high163 Ų16367.1 Ų67.176%0.76232%0.317SS*.  trans-60.9-33-171.1-62.9175.3177.900114.1I130I130-E132 HydrophobicContact CG2-CG 4.36Å
133K89Confident96.2Very high138 Ų13871.8 Ų71.860%0.634%0.336SS*.  trans-119.4119.5-173.8-63.6-177.5-176.5177.70110.5V131 K135 R136V131-K133 VanDerWaalsContact C-N 3.28Å; V131-K133 PolarHBondContact O-N 2.92Å; K133-K135 PolarHBondContact O-N 3.41Å; K133-R136 HydrophobicContact CB-CG 4.4Å; K133-R136 WeakPolarHBondContact O-CB 3.48Å; K133-R136 PolarHBondContact O-N 2.77Å
134K93.8Very high96.2Very high94 Ų9472.4 Ų72.441%0.40934%0.339SS..Hα-helixtrans-48-35.2169.9-177.6176.7179.5177.40112.7R136 V137 I138 L172 F175K134-R136 VanDerWaalsContact C-N 3.26Å; K134-R136 PolarHBondContact O-N 3.04Å; K134-V137 WeakPolarHBondContact O-CB 3.26Å; K134-V137 PolarHBondContact O-N 3.17Å; K134-I138 HydrophobicContact CG-CD1 4.32Å; K134-I138 PolarHBondContact O-N 3.19Å; K134-I138 VanDerWaalsContact O-N 3.1Å; K134-L172 HydrophobicContact CD-CD2 4.44Å; K134-L172 HydrophobicContact CG-CD2 3.91Å; K134-F175 HydrophobicContact CB-CD1 4.45Å; K134-F175 HydrophobicContact CD-CB 4.42Å; K134-F175 HydrophobicContact CG-CB 4.24Å
135K95.6Very high96.1Very high144 Ų14473.5 Ų73.563%0.62635%0.346SS*.Hα-helixtrans-55.7-36.6176-171.3175-178.4177.10113.2K133 V137 I138 Q139K133-K135 PolarHBondContact O-N 3.41Å; K135-V137 VanDerWaalsContact C-N 3.35Å; K135-I138 PolarHBondContact O-N 2.94Å; K135-Q139 WeakPolarHBondContact O-CG 3.34Å; K135-Q139 PolarHBondContact O-N 2.76Å
136R95.8Very high96.1Very high139 Ų13974.6 Ų74.653%0.52536%0.358SS..Hα-helixtrans-66.2-38.5176.8-69-170.970.8-179.9-1111.7V131 K133 K134 Q139 G140 L205V131-R136 HydrophobicContact CG1-CB 3.87Å; K133-R136 HydrophobicContact CB-CG 4.4Å; K133-R136 WeakPolarHBondContact O-CB 3.48Å; K133-R136 PolarHBondContact O-N 2.77Å; K134-R136 VanDerWaalsContact C-N 3.26Å; K134-R136 PolarHBondContact O-N 3.04Å; R136-Q139 PolarHBondContact O-N 3.04Å; R136-G140 PolarHBondContact O-N 3.34Å; R136-L205 HydrophobicContact CB-CD2 4.27Å; R136-L205 WeakPolarHBondContact O-CD2 3.39Å
137V97.9Very high96.1Very high0 Ų074.6 Ų74.60%037%0.369CS..Hα-helixtrans-64.2-43.8176.2-176.10000110.7F125 L127 V131 K134 K135 G140 L141 L172 F175 L205F125-V137 HydrophobicContact CE2-CG1 4.29Å; F125-V137 HydrophobicContact CZ-CG1 3.82Å; L127-V137 HydrophobicContact CD1-CG2 4.25Å; V131-V137 HydrophobicContact CB-CG2 4.33Å; V131-V137 HydrophobicContact CG1-CG2 3.82Å; K134-V137 WeakPolarHBondContact O-CB 3.26Å; K134-V137 PolarHBondContact O-N 3.17Å; K135-V137 VanDerWaalsContact C-N 3.35Å; V137-G140 PolarHBondContact O-N 3.08Å; V137-L141 HydrophobicContact CG1-CD1 4.32Å; V137-L141 WeakPolarHBondContact O-CG 3.36Å; V137-L141 PolarHBondContact O-N 3.38Å; V137-L172 HydrophobicContact CB-CD2 4.4Å; V137-L172 HydrophobicContact CG1-CD1 4.18Å; V137-L172 HydrophobicContact CG1-CD2 4.16Å; V137-F175 HydrophobicContact CG1-CD2 4.37Å; V137-F175 HydrophobicContact CG2-CD1 4.31Å; V137-F175 HydrophobicContact CG2-CD2 4.3Å; V137-F175 HydrophobicContact CG2-CE1 4Å; V137-F175 HydrophobicContact CG2-CE2 4Å; V137-F175 HydrophobicContact CG2-CG 4.45Å; V137-F175 HydrophobicContact CG2-CZ 3.83Å; V137-L205 HydrophobicContact CG2-CD1 4.34Å
138I97.9Very high96Very high62 Ų6275.5 Ų75.532%0.31837%0.374SS..Hα-helixtrans-59.2-50.4175.6-63.8171.2000110.4K134 K135 G140 L141 E142 L172K134-I138 HydrophobicContact CG-CD1 4.32Å; K134-I138 PolarHBondContact O-N 3.19Å; K134-I138 VanDerWaalsContact O-N 3.1Å; K135-I138 PolarHBondContact O-N 2.94Å; I138-G140 VanDerWaalsContact C-N 3.31Å; I138-G140 PolarHBondContact O-N 3.39Å; I138-L141 WeakPolarHBondContact O-CB 3.28Å; I138-L141 PolarHBondContact O-N 2.97Å; I138-L141 VanDerWaalsContact O-N 3.1Å; I138-E142 HydrophobicContact CG2-CG 4.44Å; I138-E142 WeakPolarHBondContact O-CG 3.45Å; I138-E142 PolarHBondContact O-N 2.72Å; I138-L172 HydrophobicContact CD1-CD2 4.3Å; I138-L172 HydrophobicContact CG1-CB 4.27Å; I138-L172 HydrophobicContact CG1-CD2 3.55Å
139Q97.6Very high95.9Very high87 Ų8775.9 Ų75.941%0.40737%0.374SS..Hα-helixtrans-60.9-39.2178.3-71.8173.3-29.800112.5K135 R136 L141 E142 Q143K135-Q139 WeakPolarHBondContact O-CG 3.34Å; K135-Q139 PolarHBondContact O-N 2.76Å; R136-Q139 PolarHBondContact O-N 3.04Å; Q139-L141 VanDerWaalsContact C-N 3.32Å; Q139-L141 PolarHBondContact O-N 3.31Å; Q139-E142 PolarHBondContact O-N 3.09Å; Q139-Q143 WeakPolarHBondContact O-CG 3.28Å; Q139-Q143 PolarHBondContact O-N 3.02Å
140G97.8Very high95.9Very high3 Ų374.9 Ų74.93%0.03136%0.363CS..Hα-helixtrans-63.8-37.3174.800000112.7R136 V137 I138 L144R136-G140 PolarHBondContact O-N 3.34Å; V137-G140 PolarHBondContact O-N 3.08Å; I138-G140 VanDerWaalsContact C-N 3.31Å; I138-G140 PolarHBondContact O-N 3.39Å; G140-L144 WeakPolarHBondContact O-CG 3.41Å; G140-L144 PolarHBondContact O-N 3.25Å
141L98.4Very high95.7Very high4 Ų474.6 Ų74.62%0.02135%0.353CS..Hα-helixtrans-71-37.9174.5-74.5171000112.6V137 I138 Q139 L144 T145 N170 L172 V184 L201V137-L141 HydrophobicContact CG1-CD1 4.32Å; V137-L141 WeakPolarHBondContact O-CG 3.36Å; V137-L141 PolarHBondContact O-N 3.38Å; I138-L141 WeakPolarHBondContact O-CB 3.28Å; I138-L141 PolarHBondContact O-N 2.97Å; I138-L141 VanDerWaalsContact O-N 3.1Å; Q139-L141 VanDerWaalsContact C-N 3.32Å; Q139-L141 PolarHBondContact O-N 3.31Å; L141-L144 CarbonylContact O-C 3.51Å; L141-L144 PolarHBondContact O-N 2.83Å; L141-L144 VanDerWaalsContact O-N 3.11Å; L141-T145 PolarHBondContact O-OG1 3.32Å; L141-N170 HydrophobicContact CB-CB 3.97Å; L141-N170 HydrophobicContact CD2-CB 4.22Å; L141-N170 PolarHBondContact O-ND2 2.85Å; L141-L172 HydrophobicContact CD1-CB 3.82Å; L141-L172 HydrophobicContact CD1-CD1 3.88Å; L141-L172 HydrophobicContact CD1-CG 4.36Å; L141-V184 HydrophobicContact CD1-CB 4.39Å; L141-V184 HydrophobicContact CD1-CG2 3.87Å; L141-V184 HydrophobicContact CD2-CG2 3.98Å; L141-L201 HydrophobicContact CD2-CD1 4.08Å; L141-L201 HydrophobicContact CD2-CD2 3.84Å; L141-L201 HydrophobicContact CD2-CG 4.48Å; L141-L201 HydrophobicContact CG-CD1 3.99Å; L141-L201 HydrophobicContact CG-CD2 4.21Å
142E97.4Very high95.6Very high120 Ų12074.5 Ų74.556%0.56135%0.353SS*.Hα-helixtrans-60.5-44.2174-73.5170.1175.400111I138 Q139 L144 T145I138-E142 HydrophobicContact CG2-CG 4.44Å; I138-E142 WeakPolarHBondContact O-CG 3.45Å; I138-E142 PolarHBondContact O-N 2.72Å; Q139-E142 PolarHBondContact O-N 3.09Å; E142-L144 PolarHBondContact O-N 3.27Å; E142-T145 VanDerWaalsContact O-CB 3.32Å; E142-T145 WeakPolarHBondContact O-CB 3.25Å; E142-T145 PolarHBondContact O-N 3.37Å; E142-T145 VanDerWaalsContact O-N 3.09Å; E142-T145 PolarHBondContact O-OG1 3.34Å
143Q97.5Very high95.7Very high136 Ų13667.6 Ų67.664%0.63632%0.322SS*.Hα-helixtrans-61.5-23.6174.6-72.9-178.28.800113.6Q139 T145 V204Q139-Q143 WeakPolarHBondContact O-CG 3.28Å; Q139-Q143 PolarHBondContact O-N 3.02Å; Q143-T145 VanDerWaalsContact C-N 3.28Å; Q143-T145 PolarHBondContact O-N 3.13Å; Q143-V204 VanDerWaalsContact OE1-CG1 3.29Å
144L98.2Very high95.6Very high12 Ų1267.8 Ų67.86%0.06333%0.329CS..THydrogen-bonded Turntrans-9527.5177.3-63.1171000112.3G140 L141 E142 L148 N170 L197 H200 L201 V204G140-L144 WeakPolarHBondContact O-CG 3.41Å; G140-L144 PolarHBondContact O-N 3.25Å; L141-L144 CarbonylContact O-C 3.51Å; L141-L144 PolarHBondContact O-N 2.83Å; L141-L144 VanDerWaalsContact O-N 3.11Å; E142-L144 PolarHBondContact O-N 3.27Å; L144-L148 HydrophobicContact CB-CD1 4.26Å; L144-L148 HydrophobicContact CD2-CD1 4.42Å; L144-L148 WeakPolarHBondContact O-CD1 3.26Å; L144-N170 VanDerWaalsContact C-ND2 3.25Å; L144-N170 PolarHBondContact O-ND2 2.83Å; L144-L197 HydrophobicContact CB-CD1 3.75Å; L144-L197 HydrophobicContact CD1-CD1 4.06Å; L144-L197 HydrophobicContact CG-CD1 4.36Å; L144-H200 HydrophobicContact CD1-CB 4.21Å; L144-H200 HydrophobicContact CD2-CB 3.9Å; L144-L201 HydrophobicContact CD1-CB 3.82Å; L144-L201 HydrophobicContact CD1-CD1 4.23Å; L144-V204 HydrophobicContact CD2-CG2 4.31Å
145T97.9Very high95Very high57 Ų5769.8 Ų69.835%0.3534%0.343SS..  trans-107.4148.6172-53.10000109.7L141 E142 Q143 N170L141-T145 PolarHBondContact O-OG1 3.32Å; E142-T145 VanDerWaalsContact O-CB 3.32Å; E142-T145 WeakPolarHBondContact O-CB 3.25Å; E142-T145 PolarHBondContact O-N 3.37Å; E142-T145 VanDerWaalsContact O-N 3.09Å; E142-T145 PolarHBondContact O-OG1 3.34Å; Q143-T145 VanDerWaalsContact C-N 3.28Å; Q143-T145 PolarHBondContact O-N 3.13Å; T145-N170 PolarHBondContact OG1-ND2 3.22Å
146G97.8Very high94.1Very high26 Ų2664.4 Ų64.427%0.26832%0.323SS..EExtended strand (participates in β ladder)trans95.1-155.8-174.400000113L148 T166 V167G146-L148 PolarHBondContact O-N 3.17Å; G146-T166 CarbonylContact O-C 3.58Å; G146-T166 WeakPolarHBondContact O-CA 3.42Å; G146-V167 WeakPolarHBondContact CA-O 3.4Å; G146-V167 PolarHBondContact N-O 2.7Å; G146-V167 PolarHBondContact O-N 3.02Å
147S98Very high93.3Very high87 Ų8763.3 Ų63.361%0.60834%0.344SS*.EExtended strand (participates in β ladder)trans-77.8113.7-178.8-76.50000111.4
148L97.4Very high92.6Very high21 Ų2166.2 Ų66.211%0.1136%0.361CS..EExtended strand (participates in β ladder)trans-114.2139.9-178.2-52.2-179.5000111.6L144 G146 Q150 I164 R165 V167 L197L144-L148 HydrophobicContact CB-CD1 4.26Å; L144-L148 HydrophobicContact CD2-CD1 4.42Å; L144-L148 WeakPolarHBondContact O-CD1 3.26Å; G146-L148 PolarHBondContact O-N 3.17Å; L148-Q150 PolarHBondContact O-N 3.35Å; L148-I164 WeakPolarHBondContact O-CA 3.37Å; L148-R165 PolarHBondContact N-O 2.83Å; L148-R165 PolarHBondContact O-N 3.37Å; L148-V167 HydrophobicContact CD1-CB 4.4Å; L148-V167 HydrophobicContact CD1-CG2 3.74Å; L148-V167 HydrophobicContact CG-CG2 4.47Å; L148-L197 HydrophobicContact CD1-CD1 3.92Å
149F96.3Very high92.1Very high135 Ų13570.5 Ų70.559%0.59238%0.378SS*.EExtended strand (participates in β ladder)trans-71.2124163.8-68.8-78000109.6L162 I164 H200F149-L162 HydrophobicContact CB-CD2 4.42Å; F149-I164 HydrophobicContact CD1-CG1 3.8Å; F149-I164 HydrophobicContact CE1-CD1 3.83Å; F149-I164 HydrophobicContact CE1-CG1 3.57Å; F149-I164 HydrophobicContact CZ-CD1 4.08Å; F149-I164 HydrophobicContact CZ-CG1 4.16Å; F149-H200 PolarHBondContact O-CE1 2.61Å; F149-H200 VanDerWaalsContact O-CE1 3.22Å
150Q94.1Very high91.6Very high3 Ų371.2 Ų71.21%0.01438%0.377CS..EExtended strand (participates in β ladder)trans-126.5142.4171.8-65.4-167.32.400110.5L148 L162 R163 T192 T196L148-Q150 PolarHBondContact O-N 3.35Å; Q150-L162 WeakPolarHBondContact O-CA 3.27Å; Q150-R163 PolarHBondContact N-O 3.16Å; Q150-R163 PolarHBondContact O-N 3.31Å; Q150-T192 VanDerWaalsContact NE2-CG2 3.35Å; Q150-T196 HydrophobicContact CB-CG2 4.39Å; Q150-T196 HydrophobicContact CG-CG2 4.41Å
151R92.9Very high91.4Very high131 Ų13175.5 Ų75.549%0.49440%0.396SS..  trans-111.9129.1164.8-174.7171.863.5176.8-0.6107.8R160 L162 T196R151-R160 HydrophobicContact CG-CB 4.16Å; R151-L162 HydrophobicContact CB-CD2 4.04Å; R151-T196 PolarHBondContact O-OG1 2.94Å
152P91.2Very high91.1Very high2 Ų281.3 Ų81.31%0.01343%0.426CS..  trans-51.1145.9175-27.232.8000112.6S156 R160 Q161 Y193P152-S156 WeakPolarHBondContact CB-OG 3.27Å; P152-R160 HydrophobicContact CB-CG 4.43Å; P152-R160 PolarHBondContact O-NE 3.31Å; P152-Q161 VanDerWaalsContact CD-O 3.29Å; P152-Q161 WeakPolarHBondContact CD-O 3.09Å; P152-Y193 HydrophobicContact CB-CD2 4.44Å; P152-Y193 HydrophobicContact CB-CE1 4.28Å; P152-Y193 HydrophobicContact CB-CE2 3.83Å; P152-Y193 HydrophobicContact CG-CD2 4.43Å; P152-Y193 HydrophobicContact CG-CE2 3.68Å
153P87.8Confident91Very high19 Ų1979.1 Ų79.112%0.12341%0.413CS..  trans-64.5164.5177.128.5-33.8000111.2I155 S156 Y193P153-I155 VanDerWaalsContact C-N 3.28Å; P153-I155 PolarHBondContact O-N 3.42Å; P153-S156 PolarHBondContact O-OG 3.41Å; P153-Y193 HydrophobicContact CG-CD1 3.96Å; P153-Y193 HydrophobicContact CG-CE1 4.29Å
154L85.7Confident91Very high142 Ų14276.6 Ų76.674%0.74340%0.403SS*.SBendtrans-55.4-44179.7-79.4166.4000112.2S156L154-S156 PolarHBondContact O-N 3.48Å
155I81.1Confident90.9Very high136 Ų13679.2 Ų79.270%0.69741%0.412SS*.SBendtrans-91.686.9175.8-55.3171000107.5P153P153-I155 VanDerWaalsContact C-N 3.28Å; P153-I155 PolarHBondContact O-N 3.42Å
156S77.8Confident90.9Very high31 Ų3178.1 Ų78.122%0.21741%0.406CS..  trans-150.3151.7170.468.10000110.7P152 P153 L154 V158P152-S156 WeakPolarHBondContact CB-OG 3.27Å; P153-S156 PolarHBondContact O-OG 3.41Å; L154-S156 PolarHBondContact O-N 3.48Å; S156-V158 PolarHBondContact O-N 3.23Å; S156-V158 PolarHBondContact OG-O 3.06Å
157A79Confident90.9Very high115 Ų11576.9 Ų76.995%0.9539%0.393SS*.SBendtrans-71.7-3.5176.400000113.4
158V82.4Confident91Very high61 Ų6179 Ų7937%0.3739%0.388SS..SBendtrans-114.2135.7-169.4-175.30000110.3S156 R160S156-V158 PolarHBondContact O-N 3.23Å; S156-V158 PolarHBondContact OG-O 3.06Å; V158-R160 PolarHBondContact O-N 3.46Å
159K87Confident91Very high153 Ų15381 Ų8167%0.66540%0.397SS*.  trans-51.6129.9175.3-172.8177.9-178.3176.90111.1Q161 R163K159-Q161 HydrophobicContact CD-CG 4.44Å; K159-Q161 HydrophobicContact CG-CG 4.33Å; K159-Q161 PolarHBondContact O-N 2.88Å; K159-R163 PolarHBondContact O-NH2 3.09Å
160R88.5Confident91.1Very high101 Ų10175.5 Ų75.538%0.38137%0.374SS..  trans-74.988.8-178.3-63.2-176.173.2-149.25.9111.5R151 P152 V158R151-R160 HydrophobicContact CG-CB 4.16Å; P152-R160 HydrophobicContact CB-CG 4.43Å; P152-R160 PolarHBondContact O-NE 3.31Å; V158-R160 PolarHBondContact O-N 3.46Å
161Q92.7Very high91.3Very high94 Ų9480.5 Ų80.544%0.43940%0.395SS..  trans-124.3148.7171-72.2171.6-33.100108.8P152 K159P152-Q161 VanDerWaalsContact CD-O 3.29Å; P152-Q161 WeakPolarHBondContact CD-O 3.09Å; K159-Q161 HydrophobicContact CD-CG 4.44Å; K159-Q161 HydrophobicContact CG-CG 4.33Å; K159-Q161 PolarHBondContact O-N 2.88Å
162L93.5Very high91.6Very high126 Ų12675.5 Ų75.566%0.6638%0.379SS*.  trans-64.1134.6172-78168.5000109.5F149 Q150 R151F149-L162 HydrophobicContact CB-CD2 4.42Å; Q150-L162 WeakPolarHBondContact O-CA 3.27Å; R151-L162 HydrophobicContact CB-CD2 4.04Å
163R94.7Very high91.9Very high73 Ų7378.8 Ų78.828%0.27540%0.396SS..EExtended strand (participates in β ladder)trans-143.8151.3177.2-59.7-175.6-172.2120.98.8109.1Q150 K159Q150-R163 PolarHBondContact N-O 3.16Å; Q150-R163 PolarHBondContact O-N 3.31Å; K159-R163 PolarHBondContact O-NH2 3.09Å
164I97Very high92.4Very high84 Ų8483.5 Ų83.543%0.43142%0.416SS..EExtended strand (participates in β ladder)trans-88.4132.4173.4-60170.3000108.3L148 F149L148-I164 WeakPolarHBondContact O-CA 3.37Å; F149-I164 HydrophobicContact CD1-CG1 3.8Å; F149-I164 HydrophobicContact CE1-CD1 3.83Å; F149-I164 HydrophobicContact CE1-CG1 3.57Å; F149-I164 HydrophobicContact CZ-CD1 4.08Å; F149-I164 HydrophobicContact CZ-CG1 4.16Å
165R96.1Very high93Very high66 Ų6677.6 Ų77.625%0.24938%0.384CS..EExtended strand (participates in β ladder)trans-136.2141.5171.9-73.3-64.3-179.9-90.47.3109.9L148 A190L148-R165 PolarHBondContact N-O 2.83Å; L148-R165 PolarHBondContact O-N 3.37Å; R165-A190 WeakPolarHBondContact CD-O 3.38Å; R165-A190 PolarHBondContact NE-O 3.35Å; R165-A190 VanDerWaalsContact NE-O 3.13Å
166T98.2Very high93.7Very high35 Ų3573.3 Ų73.322%0.21536%0.363CS..EExtended strand (participates in β ladder)trans-92.4127.2-178.2-53.50000111.4G146 Y168 E189G146-T166 CarbonylContact O-C 3.58Å; G146-T166 WeakPolarHBondContact O-CA 3.42Å; T166-Y168 HydrophobicContact CG2-CD1 3.69Å; T166-Y168 HydrophobicContact CG2-CE1 3.59Å; T166-E189 PolarHBondContact N-OE2 3.02Å; T166-E189 WeakPolarHBondContact O-CB 3.09Å; T166-E189 PolarHBondContact O-N 3.06Å
167V98.7Very high94.4Very high0 Ų074.4 Ų74.40%037%0.371CS..EExtended strand (participates in β ladder)trans-98120.9164177.30000107.5G146 L148 N170 V186 C188 T192 L197G146-V167 WeakPolarHBondContact CA-O 3.4Å; G146-V167 PolarHBondContact N-O 2.7Å; G146-V167 PolarHBondContact O-N 3.02Å; L148-V167 HydrophobicContact CD1-CB 4.4Å; L148-V167 HydrophobicContact CD1-CG2 3.74Å; L148-V167 HydrophobicContact CG-CG2 4.47Å; V167-N170 WeakPolarHBondContact CG1-OD1 3.18Å; V167-V186 HydrophobicContact CG1-CG1 3.95Å; V167-C188 HydrophobicContact CG2-CB 4.36Å; V167-T192 HydrophobicContact CG2-CG2 3.99Å; V167-L197 HydrophobicContact CG2-CD1 4.49Å
168Y98.3Very high95.1Very high132 Ų13276.4 Ų76.452%0.51837%0.365SS..EExtended strand (participates in β ladder)trans-83.4-35.2-177.1-52.8-56.1000112.2T166 K187T166-Y168 HydrophobicContact CG2-CD1 3.69Å; T166-Y168 HydrophobicContact CG2-CE1 3.59Å; Y168-K187 HydrophobicContact CD2-CB 4.47Å; Y168-K187 PolarHBondContact N-O 2.9Å
169E98.6Very high95.8Very high63 Ų6379.9 Ų79.929%0.29438%0.375SS..EExtended strand (participates in β ladder)trans-155.1133.1-178.5-172.2-174168.800109.7V186 K187E169-V186 WeakPolarHBondContact O-CA 3.48Å; E169-K187 HydrophobicContact CB-CB 4.1Å; E169-K187 HydrophobicContact CB-CD 4.28Å; E169-K187 HydrophobicContact CB-CG 4.4Å; E169-K187 PolarHBondContact N-O 3.23Å; E169-K187 PolarHBondContact O-N 3.22Å; E169-K187 VanDerWaalsContact OE2-CD 3.31Å; E169-K187 WeakPolarHBondContact OE2-CD 3.41Å; E169-K187 VanDerWaalsContact OE2-CE 3.27Å; E169-K187 WeakPolarHBondContact OE2-CE 3.32Å; E169-K187 IonicContact OE2-NZ 3.58Å; E169-K187 PolarHBondContact OE2-NZ 3.31Å
170N98.6Very high96.3Very high19 Ų1973.1 Ų73.110%0.10235%0.346CS..EExtended strand (participates in β ladder)trans-115.7115.5161.7-66.8-49.2000109L141 L144 T145 V167 V184 V186L141-N170 HydrophobicContact CB-CB 3.97Å; L141-N170 HydrophobicContact CD2-CB 4.22Å; L141-N170 PolarHBondContact O-ND2 2.85Å; L144-N170 VanDerWaalsContact C-ND2 3.25Å; L144-N170 PolarHBondContact O-ND2 2.83Å; T145-N170 PolarHBondContact OG1-ND2 3.22Å; V167-N170 WeakPolarHBondContact CG1-OD1 3.18Å; N170-V184 HydrophobicContact CB-CG2 4.39Å; N170-V186 WeakPolarHBondContact OD1-CG1 3.35Å
171K98.5Very high96.8Very high107 Ų10770.6 Ų70.647%0.46534%0.339SS..EExtended strand (participates in β ladder)trans-117.3109.8178.6-175.4175.6-179173.20110.1L173 V184 R185K171-L173 HydrophobicContact CD-CD2 4.32Å; K171-L173 HydrophobicContact CG-CD2 4.15Å; K171-L173 PolarHBondContact O-N 2.78Å; K171-V184 WeakPolarHBondContact O-CA 3.36Å; K171-R185 HydrophobicContact CB-CB 4.39Å; K171-R185 PolarHBondContact N-O 2.86Å; K171-R185 PolarHBondContact O-N 3.11Å
172L98.5Very high97Very high27 Ų2766.1 Ų66.114%0.14132%0.319CS..EExtended strand (participates in β ladder)trans-67120.3171.6-17269.2000109.1F125 K134 V137 I138 L141 E174 F175F125-L172 HydrophobicContact CE1-CD1 3.99Å; F125-L172 HydrophobicContact CZ-CD1 4.01Å; K134-L172 HydrophobicContact CD-CD2 4.44Å; K134-L172 HydrophobicContact CG-CD2 3.91Å; V137-L172 HydrophobicContact CB-CD2 4.4Å; V137-L172 HydrophobicContact CG1-CD1 4.18Å; V137-L172 HydrophobicContact CG1-CD2 4.16Å; I138-L172 HydrophobicContact CD1-CD2 4.3Å; I138-L172 HydrophobicContact CG1-CB 4.27Å; I138-L172 HydrophobicContact CG1-CD2 3.55Å; L141-L172 HydrophobicContact CD1-CB 3.82Å; L141-L172 HydrophobicContact CD1-CD1 3.88Å; L141-L172 HydrophobicContact CD1-CG 4.36Å; L172-E174 WeakPolarHBondContact CD1-O 3.49Å; L172-F175 HydrophobicContact CD1-CB 4.43Å; L172-F175 HydrophobicContact CD2-CB 4.15Å
173L98.2Very high97.3Very high71 Ų7162.4 Ų62.437%0.37230%0.299SS..EExtended strand (participates in β ladder)trans-89.5-50.2176.6-54.7-175.3000109.8K171 I183 R185K171-L173 HydrophobicContact CD-CD2 4.32Å; K171-L173 HydrophobicContact CG-CD2 4.15Å; K171-L173 PolarHBondContact O-N 2.78Å; L173-I183 HydrophobicContact CB-CB 4.29Å; L173-I183 HydrophobicContact CB-CG2 4.24Å; L173-I183 HydrophobicContact CD1-CG2 3.98Å; L173-I183 HydrophobicContact CG-CG2 4.44Å; L173-I183 PolarHBondContact N-O 2.8Å; L173-R185 HydrophobicContact CD1-CB 4.26Å; L173-R185 HydrophobicContact CD2-CB 4.26Å; L173-R185 HydrophobicContact CG-CB 4.32Å
174E97.9Very high97.5Very high118 Ų11859.1 Ų59.155%0.55129%0.287SS*.EExtended strand (participates in β ladder)trans-145152.1-175.8-165.2173.6162.500111L172 G182 I183L172-E174 WeakPolarHBondContact CD1-O 3.49Å; E174-G182 CarbonylContact O-C 3.5Å; E174-G182 WeakPolarHBondContact O-CA 3.43Å; E174-I183 HydrophobicContact CB-CB 4.31Å; E174-I183 HydrophobicContact CB-CD1 4.26Å; E174-I183 HydrophobicContact CB-CG1 4.3Å; E174-I183 PolarHBondContact N-O 3.05Å; E174-I183 PolarHBondContact O-N 3.36Å
175F97.9Very high97.6Very high18 Ų1859.5 Ų59.58%0.07928%0.283CS..EExtended strand (participates in β ladder)trans-151120.6171.9-175.3-105000109.9F125 L127 K134 V137 L172 I181F125-F175 HydrophobicContact CE2-CD2 4.37Å; F125-F175 HydrophobicContact CE2-CE2 4.23Å; F125-F175 HydrophobicContact CZ-CD2 4.2Å; L127-F175 HydrophobicContact CD1-CE2 3.92Å; L127-F175 HydrophobicContact CD1-CZ 4Å; K134-F175 HydrophobicContact CB-CD1 4.45Å; K134-F175 HydrophobicContact CD-CB 4.42Å; K134-F175 HydrophobicContact CG-CB 4.24Å; V137-F175 HydrophobicContact CG1-CD2 4.37Å; V137-F175 HydrophobicContact CG2-CD1 4.31Å; V137-F175 HydrophobicContact CG2-CD2 4.3Å; V137-F175 HydrophobicContact CG2-CE1 4Å; V137-F175 HydrophobicContact CG2-CE2 4Å; V137-F175 HydrophobicContact CG2-CG 4.45Å; V137-F175 HydrophobicContact CG2-CZ 3.83Å; L172-F175 HydrophobicContact CD1-CB 4.43Å; L172-F175 HydrophobicContact CD2-CB 4.15Å; F175-I181 WeakPolarHBondContact CA-O 3.43Å
176D96.4Very high97.7Very high46 Ų4656.3 Ų56.325%0.24627%0.271CS..EExtended strand (participates in β ladder)trans-94110.7173.8179.6-28.2000108.2D178 K179 Q180 I181D176-D178 VanDerWaalsContact C-N 3.32Å; D176-D178 PolarHBondContact OD1-N 2.59Å; D176-K179 HydrophobicContact CB-CB 4.44Å; D176-K179 PolarHBondContact OD1-N 2.92Å; D176-K179 VanDerWaalsContact OD2-CD 3.28Å; D176-K179 WeakPolarHBondContact OD2-CD 3.36Å; D176-K179 WeakPolarHBondContact OD2-CG 3.44Å; D176-K179 IonicContact OD2-NZ 2.8Å; D176-Q180 VanDerWaalsContact O-CA 3.23Å; D176-Q180 WeakPolarHBondContact O-CA 3.38Å; D176-Q180 PolarHBondContact O-N 2.75Å; D176-I181 PolarHBondContact N-O 3.09Å; D176-I181 PolarHBondContact O-N 3.38Å
177S92.8Very high97.7Very high54 Ų5458.3 Ų58.338%0.37828%0.277SS..THydrogen-bonded Turntrans-72.4-22-178.8-62.20000113.4Q180S177-Q180 PolarHBondContact O-NE2 3.12Å
178D93.4Very high97.7Very high156 Ų15658.4 Ų58.483%0.83428%0.277SS*.THydrogen-bonded Turntrans-80.5-42.3-179.5-61.4-35.1000109.9D176D176-D178 VanDerWaalsContact C-N 3.32Å; D176-D178 PolarHBondContact OD1-N 2.59Å
179K96.4Very high97.6Very high134 Ų13455 Ų5558%0.58327%0.266SS*.THydrogen-bonded Turntrans-87.2-14.1178.4-62.1179.7-167.41480113.8D176 I181D176-K179 HydrophobicContact CB-CB 4.44Å; D176-K179 PolarHBondContact OD1-N 2.92Å; D176-K179 VanDerWaalsContact OD2-CD 3.28Å; D176-K179 WeakPolarHBondContact OD2-CD 3.36Å; D176-K179 WeakPolarHBondContact OD2-CG 3.44Å; D176-K179 IonicContact OD2-NZ 2.8Å; K179-I181 HydrophobicContact CB-CB 4.36Å; K179-I181 HydrophobicContact CB-CD1 3.98Å; K179-I181 HydrophobicContact CB-CG1 4.05Å; K179-I181 PolarHBondContact O-N 3.48Å
180Q97.5Very high97.4Very high12 Ų1252.8 Ų52.86%0.05626%0.259CS..THydrogen-bonded Turntrans56.739.5-172.5-64-68.2-45.600112.1K126 L127 G129 D176 S177K126-Q180 CarbonylContact C-O 3.49Å; K126-Q180 WeakPolarHBondContact CA-O 3.47Å; L127-Q180 HydrophobicContact CB-CB 4.25Å; L127-Q180 PolarHBondContact N-O 2.78Å; G129-Q180 PolarHBondContact O-OE1 3.3Å; G129-Q180 VanDerWaalsContact O-OE1 3.12Å; D176-Q180 VanDerWaalsContact O-CA 3.23Å; D176-Q180 WeakPolarHBondContact O-CA 3.38Å; D176-Q180 PolarHBondContact O-N 2.75Å; S177-Q180 PolarHBondContact O-NE2 3.12Å
181I98.4Very high97.1Very high47 Ų4754 Ų5424%0.24128%0.276CS..EExtended strand (participates in β ladder)trans-113.6136.6-179.9-66.7174000108.9V124 F125 K126 F175 D176 K179 L212V124-I181 HydrophobicContact CG1-CG2 3.67Å; F125-I181 CarbonylContact O-C 3.55Å; F125-I181 VanDerWaalsContact O-CA 3.31Å; F125-I181 WeakPolarHBondContact O-CA 3.16Å; K126-I181 HydrophobicContact CB-CG1 4.17Å; K126-I181 HydrophobicContact CD-CG1 4.27Å; K126-I181 HydrophobicContact CG-CG1 4.07Å; F175-I181 WeakPolarHBondContact CA-O 3.43Å; D176-I181 PolarHBondContact N-O 3.09Å; D176-I181 PolarHBondContact O-N 3.38Å; K179-I181 HydrophobicContact CB-CB 4.36Å; K179-I181 HydrophobicContact CB-CD1 3.98Å; K179-I181 HydrophobicContact CB-CG1 4.05Å; K179-I181 PolarHBondContact O-N 3.48Å; I181-L212 HydrophobicContact CD1-CD1 4.03Å; I181-L212 HydrophobicContact CG1-CD1 4.2Å; I181-L212 HydrophobicContact CG2-CD1 4.44Å
182G98.3Very high97Very high1 Ų149.4 Ų49.41%0.0126%0.257CS..EExtended strand (participates in β ladder)trans-134.6158.7176.200000113.3V124 F125 E174V124-G182 CarbonylContact C-O 3.51Å; V124-G182 WeakPolarHBondContact CA-O 3.32Å; F125-G182 VanDerWaalsContact CD1-O 3.24Å; F125-G182 WeakPolarHBondContact CD1-O 3.49Å; F125-G182 VanDerWaalsContact CE1-C 3.48Å; F125-G182 PolarHBondContact N-O 3Å; F125-G182 PolarHBondContact O-N 2.74Å; E174-G182 CarbonylContact O-C 3.5Å; E174-G182 WeakPolarHBondContact O-CA 3.43Å
183I98.7Very high96.8Very high48 Ų4850.3 Ų50.325%0.24626%0.259CS..EExtended strand (participates in β ladder)trans-114.7123.3174.6-52.4179000107.7V122 C123 V124 L173 E174V122-I183 HydrophobicContact CG1-CG2 3.67Å; C123-I183 WeakPolarHBondContact O-CA 3.45Å; V124-I183 HydrophobicContact CG2-CG1 4.43Å; L173-I183 HydrophobicContact CB-CB 4.29Å; L173-I183 HydrophobicContact CB-CG2 4.24Å; L173-I183 HydrophobicContact CD1-CG2 3.98Å; L173-I183 HydrophobicContact CG-CG2 4.44Å; L173-I183 PolarHBondContact N-O 2.8Å; E174-I183 HydrophobicContact CB-CB 4.31Å; E174-I183 HydrophobicContact CB-CD1 4.26Å; E174-I183 HydrophobicContact CB-CG1 4.3Å; E174-I183 PolarHBondContact N-O 3.05Å; E174-I183 PolarHBondContact O-N 3.36Å
184V98.8Very high96.8Very high3 Ų347.2 Ų47.22%0.01824%0.242CC..EExtended strand (participates in β ladder)trans-125.8134.1178.463.50000110.7C123 F125 L141 N170 K171 V186C123-V184 HydrophobicContact CB-CG1 3.84Å; C123-V184 PolarHBondContact N-O 2.87Å; C123-V184 PolarHBondContact O-N 3.25Å; F125-V184 HydrophobicContact CD1-CB 4.36Å; F125-V184 HydrophobicContact CD1-CG1 3.85Å; F125-V184 HydrophobicContact CE1-CB 4.09Å; F125-V184 HydrophobicContact CE1-CG1 4.08Å; L141-V184 HydrophobicContact CD1-CB 4.39Å; L141-V184 HydrophobicContact CD1-CG2 3.87Å; L141-V184 HydrophobicContact CD2-CG2 3.98Å; N170-V184 HydrophobicContact CB-CG2 4.39Å; K171-V184 WeakPolarHBondContact O-CA 3.36Å; V184-V186 HydrophobicContact CG1-CG2 4.07Å; V184-V186 HydrophobicContact CG2-CG2 4.01Å
185R98.8Very high96.7Very high92 Ų9245.4 Ų45.435%0.34723%0.23SC..EExtended strand (participates in β ladder)trans-91.6131.1167.3-177.7-167.5-63.9-138.78.2109.1E120 Y121 K171 L173E120-R185 HydrophobicContact CG-CG 4.15Å; E120-R185 WeakPolarHBondContact OE1-CD 3.47Å; E120-R185 WeakPolarHBondContact OE1-CG 3.36Å; E120-R185 IonicContact OE1-CZ 3.5Å; E120-R185 IonicContact OE1-NE 3.37Å; E120-R185 IonicContact OE1-NH1 3.51Å; E120-R185 PolarHBondContact OE1-NH1 3.22Å; Y121-R185 CarbonylContact O-C 3.54Å; Y121-R185 VanDerWaalsContact O-CA 3.29Å; Y121-R185 WeakPolarHBondContact O-CA 3.33Å; K171-R185 HydrophobicContact CB-CB 4.39Å; K171-R185 PolarHBondContact N-O 2.86Å; K171-R185 PolarHBondContact O-N 3.11Å; L173-R185 HydrophobicContact CD1-CB 4.26Å; L173-R185 HydrophobicContact CD2-CB 4.26Å; L173-R185 HydrophobicContact CG-CB 4.32Å
186V98.8Very high96.7Very high0 Ų045.2 Ų45.20%023%0.231CC..EExtended strand (participates in β ladder)trans-128.2119.1-175.5-174.70000110.1E120 Y121 V167 E169 N170 V184 C188 I194 L197E120-V186 CarbonylContact C-O 3.58Å; E120-V186 VanDerWaalsContact CA-O 3.29Å; E120-V186 WeakPolarHBondContact CA-O 3.07Å; Y121-V186 PolarHBondContact N-O 2.77Å; Y121-V186 PolarHBondContact O-N 3Å; V167-V186 HydrophobicContact CG1-CG1 3.95Å; E169-V186 WeakPolarHBondContact O-CA 3.48Å; N170-V186 WeakPolarHBondContact OD1-CG1 3.35Å; V184-V186 HydrophobicContact CG1-CG2 4.07Å; V184-V186 HydrophobicContact CG2-CG2 4.01Å; V186-C188 HydrophobicContact CG1-CB 4.22Å; V186-I194 HydrophobicContact CB-CD1 4.04Å; V186-I194 HydrophobicContact CG1-CD1 3.72Å; V186-I194 HydrophobicContact CG2-CD1 4.47Å; V186-L197 HydrophobicContact CG1-CD2 3.93Å; V186-L197 HydrophobicContact CG2-CD2 3.87Å
187K98.7Very high96.7Very high77 Ų7743.2 Ų43.234%0.33522%0.22SC..EExtended strand (participates in β ladder)trans-98127.4166.7-65.5179.1-173.2154.90108.7E120 Y168 E169E120-K187 HydrophobicContact CB-CG 4.38Å; E120-K187 HydrophobicContact CG-CG 3.83Å; E120-K187 WeakPolarHBondContact OE2-CE 3.32Å; Y168-K187 HydrophobicContact CD2-CB 4.47Å; Y168-K187 PolarHBondContact N-O 2.9Å; E169-K187 HydrophobicContact CB-CB 4.1Å; E169-K187 HydrophobicContact CB-CD 4.28Å; E169-K187 HydrophobicContact CB-CG 4.4Å; E169-K187 PolarHBondContact N-O 3.23Å; E169-K187 PolarHBondContact O-N 3.22Å; E169-K187 VanDerWaalsContact OE2-CD 3.31Å; E169-K187 WeakPolarHBondContact OE2-CD 3.41Å; E169-K187 VanDerWaalsContact OE2-CE 3.27Å; E169-K187 WeakPolarHBondContact OE2-CE 3.32Å; E169-K187 IonicContact OE2-NZ 3.58Å; E169-K187 PolarHBondContact OE2-NZ 3.31Å
188C98.4Very high97Very high1 Ų140.9 Ų40.91%0.00720%0.204CC..EExtended strand (participates in β ladder)trans-151.5163.2-172.761.30000113.8G118 K119 V167 V186 T192G118-C188 WeakPolarHBondContact CA-O 3.41Å; K119-C188 PolarHBondContact N-O 3.45Å; K119-C188 PolarHBondContact O-N 2.92Å; V167-C188 HydrophobicContact CG2-CB 4.36Å; V186-C188 HydrophobicContact CG1-CB 4.22Å; C188-T192 HydrophobicContact CB-CG2 3.86Å
189E97.3Very high97.2Very high60 Ų6036.5 Ų36.528%0.2818%0.183SC..  trans-63.7150.4169.1-166.7-166.5155.200110.9T166 G191 T192T166-E189 PolarHBondContact N-OE2 3.02Å; T166-E189 WeakPolarHBondContact O-CB 3.09Å; T166-E189 PolarHBondContact O-N 3.06Å; E189-G191 PolarHBondContact O-N 3.24Å; E189-T192 WeakPolarHBondContact O-CB 3.24Å; E189-T192 PolarHBondContact O-N 3.17Å; E189-T192 PolarHBondContact O-OG1 3.18Å
190A94Very high97.3Very high17 Ų1732.3 Ų32.314%0.1417%0.165CC..THydrogen-bonded Turntrans-56.3137.9173.600000112.7Q115 N116 R165 T192Q115-A190 WeakPolarHBondContact O-CB 3.28Å; N116-A190 WeakPolarHBondContact O-CB 3.42Å; R165-A190 WeakPolarHBondContact CD-O 3.38Å; R165-A190 PolarHBondContact NE-O 3.35Å; R165-A190 VanDerWaalsContact NE-O 3.13Å; A190-T192 VanDerWaalsContact C-N 3.32Å
191G92.1Very high97.4Very high45 Ų4531.9 Ų31.946%0.46416%0.163SC..THydrogen-bonded Turntrans81.67.7-179.200000114.7E189 Y193E189-G191 PolarHBondContact O-N 3.24Å; G191-Y193 WeakPolarHBondContact O-CD2 3.34Å; G191-Y193 WeakPolarHBondContact O-CE2 3.33Å
192T95.7Very high97.4Very high11 Ų1129.6 Ų29.67%0.06715%0.152CC..  trans-68.4127.6165.1-55.70000109.9Q150 V167 C188 E189 A190 I194Q150-T192 VanDerWaalsContact NE2-CG2 3.35Å; V167-T192 HydrophobicContact CG2-CG2 3.99Å; C188-T192 HydrophobicContact CB-CG2 3.86Å; E189-T192 WeakPolarHBondContact O-CB 3.24Å; E189-T192 PolarHBondContact O-N 3.17Å; E189-T192 PolarHBondContact O-OG1 3.18Å; A190-T192 VanDerWaalsContact C-N 3.32Å; T192-I194 HydrophobicContact CG2-CD1 4.32Å
193Y95.5Very high97.3Very high46 Ų4635.4 Ų35.418%0.1818%0.181CC..  trans-93.5100.2177.5-70.3-89.5000110.4P152 P153 G191 R195 T196 L197P152-Y193 HydrophobicContact CB-CD2 4.44Å; P152-Y193 HydrophobicContact CB-CE1 4.28Å; P152-Y193 HydrophobicContact CB-CE2 3.83Å; P152-Y193 HydrophobicContact CG-CD2 4.43Å; P152-Y193 HydrophobicContact CG-CE2 3.68Å; P153-Y193 HydrophobicContact CG-CD1 3.96Å; P153-Y193 HydrophobicContact CG-CE1 4.29Å; G191-Y193 WeakPolarHBondContact O-CD2 3.34Å; G191-Y193 WeakPolarHBondContact O-CE2 3.33Å; Y193-R195 PolarHBondContact O-N 3.06Å; Y193-T196 WeakPolarHBondContact CB-OG1 3.17Å; Y193-T196 WeakPolarHBondContact O-CA 3.33Å; Y193-T196 WeakPolarHBondContact O-CB 3.41Å; Y193-T196 PolarHBondContact O-N 3.17Å; Y193-L197 PolarHBondContact O-N 2.79Å
194I97.6Very high97.2Very high5 Ų536 Ų363%0.02619%0.187CC..Hα-helixtrans-59-34.1178.2-51.8-56.3000111.8Y121 C123 V186 T192 T196 L197 C198 M211 L214Y121-I194 HydrophobicContact CD1-CG1 4.5Å; Y121-I194 HydrophobicContact CD2-CD1 3.86Å; Y121-I194 HydrophobicContact CD2-CG1 3.75Å; Y121-I194 HydrophobicContact CE2-CD1 4.38Å; Y121-I194 HydrophobicContact CE2-CG1 4.19Å; Y121-I194 HydrophobicContact CG-CD1 4.41Å; Y121-I194 HydrophobicContact CG-CG1 3.93Å; C123-I194 HydrophobicContact CB-CG2 3.76Å; V186-I194 HydrophobicContact CB-CD1 4.04Å; V186-I194 HydrophobicContact CG1-CD1 3.72Å; V186-I194 HydrophobicContact CG2-CD1 4.47Å; T192-I194 HydrophobicContact CG2-CD1 4.32Å; I194-T196 VanDerWaalsContact C-N 3.28Å; I194-T196 PolarHBondContact O-N 2.88Å; I194-L197 HydrophobicContact CD1-CD2 4.45Å; I194-L197 WeakPolarHBondContact O-CA 3.33Å; I194-L197 VanDerWaalsContact O-CB 3.27Å; I194-L197 WeakPolarHBondContact O-CB 3.49Å; I194-L197 PolarHBondContact O-N 3.3Å; I194-L197 VanDerWaalsContact O-N 3.11Å; I194-C198 PolarHBondContact O-N 3.39Å; I194-C198 PolarHBondContact O-SG 3.49Å; I194-M211 HydrophobicContact CG2-SD 4.49Å; I194-L214 HydrophobicContact CB-CD1 3.89Å; I194-L214 HydrophobicContact CB-CD2 4.06Å; I194-L214 HydrophobicContact CG1-CD1 4.07Å; I194-L214 HydrophobicContact CG1-CD2 4.22Å; I194-L214 HydrophobicContact CG2-CD1 3.62Å
195R96.4Very high97.2Very high80 Ų8036.5 Ų36.530%0.30219%0.19SC..Hα-helixtrans-56.6-41.9172.7-166.3-173.8-52.7-145.37.5112.9D93 Y193 C198 V199 M211D93-R195 IonicContact OD2-CZ 3.54Å; D93-R195 IonicContact OD2-NH2 3.88Å; D93-R195 PolarHBondContact OD2-NH2 3.21Å; Y193-R195 PolarHBondContact O-N 3.06Å; R195-C198 PolarHBondContact O-N 2.99Å; R195-V199 PolarHBondContact O-N 3.36Å; R195-M211 HydrophobicContact CB-CB 4.45Å; R195-M211 HydrophobicContact CB-CE 4.29Å; R195-M211 HydrophobicContact CB-SD 3.95Å; R195-M211 HydrophobicContact CG-CB 4.16Å; R195-M211 HydrophobicContact CG-CE 4.47Å; R195-M211 HydrophobicContact CG-SD 4.47Å
196T96.3Very high97.1Very high14 Ų1435.4 Ų35.49%0.08621%0.207CC..Hα-helixtrans-71-37.7178-53.40000110.6Q150 R151 Y193 I194 C198 V199 H200Q150-T196 HydrophobicContact CB-CG2 4.39Å; Q150-T196 HydrophobicContact CG-CG2 4.41Å; R151-T196 PolarHBondContact O-OG1 2.94Å; Y193-T196 WeakPolarHBondContact CB-OG1 3.17Å; Y193-T196 WeakPolarHBondContact O-CA 3.33Å; Y193-T196 WeakPolarHBondContact O-CB 3.41Å; Y193-T196 PolarHBondContact O-N 3.17Å; I194-T196 VanDerWaalsContact C-N 3.28Å; I194-T196 PolarHBondContact O-N 2.88Å; T196-C198 VanDerWaalsContact C-N 3.32Å; T196-C198 PolarHBondContact O-N 2.61Å; T196-V199 WeakPolarHBondContact O-CB 3.24Å; T196-V199 PolarHBondContact O-N 2.99Å; T196-V199 VanDerWaalsContact O-N 3.16Å; T196-H200 VanDerWaalsContact CG2-NE2 3.34Å; T196-H200 WeakPolarHBondContact CG2-NE2 3.47Å; T196-H200 PolarHBondContact O-CD2 2.8Å; T196-H200 VanDerWaalsContact O-CD2 3.31Å; T196-H200 VanDerWaalsContact O-CG 3.29Å; T196-H200 PolarHBondContact O-N 3.05Å
197L98Very high97Very high4 Ų437.2 Ų37.22%0.02122%0.218CC..Hα-helixtrans-57-43.6172.8-175.570.6000111.6L144 L148 V167 V186 Y193 I194 V199 H200 L201L144-L197 HydrophobicContact CB-CD1 3.75Å; L144-L197 HydrophobicContact CD1-CD1 4.06Å; L144-L197 HydrophobicContact CG-CD1 4.36Å; L148-L197 HydrophobicContact CD1-CD1 3.92Å; V167-L197 HydrophobicContact CG2-CD1 4.49Å; V186-L197 HydrophobicContact CG1-CD2 3.93Å; V186-L197 HydrophobicContact CG2-CD2 3.87Å; Y193-L197 PolarHBondContact O-N 2.79Å; I194-L197 HydrophobicContact CD1-CD2 4.45Å; I194-L197 WeakPolarHBondContact O-CA 3.33Å; I194-L197 VanDerWaalsContact O-CB 3.27Å; I194-L197 WeakPolarHBondContact O-CB 3.49Å; I194-L197 PolarHBondContact O-N 3.3Å; I194-L197 VanDerWaalsContact O-N 3.11Å; L197-V199 VanDerWaalsContact C-N 3.35Å; L197-V199 PolarHBondContact O-N 2.87Å; L197-H200 PolarHBondContact O-N 3.24Å; L197-L201 PolarHBondContact O-N 2.99Å
198C98.4Very high97Very high5 Ų534.5 Ų34.53%0.03421%0.212CC..Hα-helixtrans-62.6-39.4175.4-60.10000112.8C123 F125 I194 R195 T196 L201 G202 M211C123-C198 PolarHBondContact SG-SG 3.5Å; F125-C198 HydrophobicContact CB-CB 4.29Å; I194-C198 PolarHBondContact O-N 3.39Å; I194-C198 PolarHBondContact O-SG 3.49Å; R195-C198 PolarHBondContact O-N 2.99Å; T196-C198 VanDerWaalsContact C-N 3.32Å; T196-C198 PolarHBondContact O-N 2.61Å; C198-L201 PolarHBondContact O-N 2.77Å; C198-G202 PolarHBondContact O-N 2.83Å; C198-G202 VanDerWaalsContact O-N 3.11Å; C198-M211 HydrophobicContact CB-CB 4.19Å
199V97.8Very high97Very high65 Ų6534.8 Ų34.839%0.39422%0.215SC..Hα-helixtrans-64.2-44.5174.3174.80000110.4R195 T196 L197 L201 G202 L203R195-V199 PolarHBondContact O-N 3.36Å; T196-V199 WeakPolarHBondContact O-CB 3.24Å; T196-V199 PolarHBondContact O-N 2.99Å; T196-V199 VanDerWaalsContact O-N 3.16Å; L197-V199 VanDerWaalsContact C-N 3.35Å; L197-V199 PolarHBondContact O-N 2.87Å; V199-L201 PolarHBondContact O-N 2.82Å; V199-G202 WeakPolarHBondContact O-CA 3.29Å; V199-G202 PolarHBondContact O-N 3.28Å; V199-G202 VanDerWaalsContact O-N 3.15Å; V199-L203 HydrophobicContact CG1-CD1 4.39Å; V199-L203 WeakPolarHBondContact O-CG 3.22Å; V199-L203 PolarHBondContact O-N 2.76Å
200H98.4Very high97Very high45 Ų4534.6 Ų34.621%0.20822%0.218CC..Hα-helixtrans-63.4-40.3178.4-67.6-176.2000112.1L144 F149 T196 L197 G202 L203 V204L144-H200 HydrophobicContact CD1-CB 4.21Å; L144-H200 HydrophobicContact CD2-CB 3.9Å; F149-H200 PolarHBondContact O-CE1 2.61Å; F149-H200 VanDerWaalsContact O-CE1 3.22Å; T196-H200 VanDerWaalsContact CG2-NE2 3.34Å; T196-H200 WeakPolarHBondContact CG2-NE2 3.47Å; T196-H200 PolarHBondContact O-CD2 2.8Å; T196-H200 VanDerWaalsContact O-CD2 3.31Å; T196-H200 VanDerWaalsContact O-CG 3.29Å; T196-H200 PolarHBondContact O-N 3.05Å; L197-H200 PolarHBondContact O-N 3.24Å; H200-G202 VanDerWaalsContact C-N 3.27Å; H200-G202 PolarHBondContact O-N 3.16Å; H200-L203 WeakPolarHBondContact O-CB 3.44Å; H200-L203 PolarHBondContact O-N 3.01Å; H200-L203 VanDerWaalsContact O-N 3.11Å; H200-V204 WeakPolarHBondContact O-CG2 3.47Å; H200-V204 PolarHBondContact O-N 2.78Å
201L98.6Very high97.2Very high3 Ų335.1 Ų35.12%0.01622%0.218CC..Hα-helixtrans-57.5-45.2172.8-179.863.5000110.8F125 L127 L141 L144 L197 C198 V199 L203 V204 L205F125-L201 HydrophobicContact CD2-CD2 3.93Å; F125-L201 HydrophobicContact CE1-CD2 4.35Å; F125-L201 HydrophobicContact CE2-CD2 3.63Å; F125-L201 HydrophobicContact CG-CD2 4.42Å; F125-L201 HydrophobicContact CZ-CD2 3.86Å; L127-L201 HydrophobicContact CD2-CD2 4.44Å; L127-L201 HydrophobicContact CD2-CG 4.43Å; L141-L201 HydrophobicContact CD2-CD1 4.08Å; L141-L201 HydrophobicContact CD2-CD2 3.84Å; L141-L201 HydrophobicContact CD2-CG 4.48Å; L141-L201 HydrophobicContact CG-CD1 3.99Å; L141-L201 HydrophobicContact CG-CD2 4.21Å; L144-L201 HydrophobicContact CD1-CB 3.82Å; L144-L201 HydrophobicContact CD1-CD1 4.23Å; L197-L201 PolarHBondContact O-N 2.99Å; C198-L201 PolarHBondContact O-N 2.77Å; V199-L201 PolarHBondContact O-N 2.82Å; L201-L203 VanDerWaalsContact C-N 3.33Å; L201-L203 PolarHBondContact O-N 3.14Å; L201-V204 PolarHBondContact O-N 2.94Å; L201-L205 HydrophobicContact CD1-CD1 3.82Å; L201-L205 HydrophobicContact CD1-CG 4.23Å; L201-L205 HydrophobicContact CG-CD1 3.88Å; L201-L205 WeakPolarHBondContact O-CB 3.25Å; L201-L205 VanDerWaalsContact O-CG 3.25Å; L201-L205 WeakPolarHBondContact O-CG 3.46Å; L201-L205 PolarHBondContact O-N 2.84Å
202G98.2Very high97.4Very high0 Ų037.3 Ų37.30%022%0.219CC..Hα-helixtrans-58.2-40.9173.800000114C198 V199 H200 G206 V207 G208C198-G202 PolarHBondContact O-N 2.83Å; C198-G202 VanDerWaalsContact O-N 3.11Å; V199-G202 WeakPolarHBondContact O-CA 3.29Å; V199-G202 PolarHBondContact O-N 3.28Å; V199-G202 VanDerWaalsContact O-N 3.15Å; H200-G202 VanDerWaalsContact C-N 3.27Å; H200-G202 PolarHBondContact O-N 3.16Å; G202-G206 PolarHBondContact O-N 3.12Å; G202-V207 PolarHBondContact O-N 2.86Å; G202-G208 PolarHBondContact O-N 2.88Å
203L97.3Very high97.6Very high122 Ų12242 Ų4264%0.63924%0.239SC*.Hα-helixtrans-68-46.1177.2-67.5174000112V199 H200 L201 L205 G206V199-L203 HydrophobicContact CG1-CD1 4.39Å; V199-L203 WeakPolarHBondContact O-CG 3.22Å; V199-L203 PolarHBondContact O-N 2.76Å; H200-L203 WeakPolarHBondContact O-CB 3.44Å; H200-L203 PolarHBondContact O-N 3.01Å; H200-L203 VanDerWaalsContact O-N 3.11Å; L201-L203 VanDerWaalsContact C-N 3.33Å; L201-L203 PolarHBondContact O-N 3.14Å; L203-L205 PolarHBondContact O-N 3.1Å; L203-G206 PolarHBondContact O-N 3.49Å
204V97.2Very high97.7Very high61 Ų6140.4 Ų40.437%0.3723%0.234SC..Hα-helixtrans-59.3-37.7176.9168.60000111.1Q143 L144 H200 L201 G206Q143-V204 VanDerWaalsContact OE1-CG1 3.29Å; L144-V204 HydrophobicContact CD2-CG2 4.31Å; H200-V204 WeakPolarHBondContact O-CG2 3.47Å; H200-V204 PolarHBondContact O-N 2.78Å; L201-V204 PolarHBondContact O-N 2.94Å; V204-G206 VanDerWaalsContact C-N 3.35Å
205L97.7Very high97.7Very high14 Ų1443 Ų437%0.07324%0.244CC..Hα-helixtrans-82.5-10.8178.2-64.8173.3000113.6L127 V131 R136 V137 L201 L203 V207L127-L205 HydrophobicContact CD1-CD1 3.65Å; L127-L205 HydrophobicContact CD2-CD1 4.01Å; V131-L205 HydrophobicContact CG2-CB 4.46Å; V131-L205 HydrophobicContact CG2-CD1 4.32Å; R136-L205 HydrophobicContact CB-CD2 4.27Å; R136-L205 WeakPolarHBondContact O-CD2 3.39Å; V137-L205 HydrophobicContact CG2-CD1 4.34Å; L201-L205 HydrophobicContact CD1-CD1 3.82Å; L201-L205 HydrophobicContact CD1-CG 4.23Å; L201-L205 HydrophobicContact CG-CD1 3.88Å; L201-L205 WeakPolarHBondContact O-CB 3.25Å; L201-L205 VanDerWaalsContact O-CG 3.25Å; L201-L205 WeakPolarHBondContact O-CG 3.46Å; L201-L205 PolarHBondContact O-N 2.84Å; L203-L205 PolarHBondContact O-N 3.1Å; L205-V207 VanDerWaalsContact C-N 3.3Å; L205-V207 HydrophobicContact CB-CG2 3.87Å; L205-V207 PolarHBondContact O-N 3.1Å
206G97Very high97.8Very high69 Ų6939.4 Ų39.471%0.71123%0.23SC*.THydrogen-bonded Turntrans74.913-179.900000115.1G202 L203 V204G202-G206 PolarHBondContact O-N 3.12Å; L203-G206 PolarHBondContact O-N 3.49Å; V204-G206 VanDerWaalsContact C-N 3.35Å
207V97.5Very high97.9Very high37 Ų3739 Ų3922%0.22423%0.228CC..SBendtrans-117.2-12.1-174-65.30000113.6L127 H128 V131 G202 L205L127-V207 HydrophobicContact CB-CG2 3.98Å; L127-V207 HydrophobicContact CD1-CG2 4.4Å; L127-V207 HydrophobicContact CD2-CG2 4.37Å; L127-V207 HydrophobicContact CG-CG2 4.49Å; H128-V207 WeakPolarHBondContact CB-O 3.27Å; V131-V207 HydrophobicContact CG2-CG1 4.22Å; V131-V207 HydrophobicContact CG2-CG2 3.98Å; G202-V207 PolarHBondContact O-N 2.86Å; L205-V207 VanDerWaalsContact C-N 3.3Å; L205-V207 HydrophobicContact CB-CG2 3.87Å; L205-V207 PolarHBondContact O-N 3.1Å
208G97.5Very high97.9Very high21 Ų2142.1 Ų42.122%0.21624%0.239CC..  trans74.2159.1-169.300000112.6L127 H128 G202L127-G208 WeakPolarHBondContact CA-O 3.39Å; H128-G208 PolarHBondContact N-O 3.21Å; H128-G208 VanDerWaalsContact N-O 3.09Å; G202-G208 PolarHBondContact O-N 2.88Å
209G97.9Very high97.7Very high6 Ų641.9 Ų41.96%0.06224%0.237CC..EExtended strand (participates in β ladder)trans-164.6153.7-174.700000112.9K126K126-G209 CarbonylContact O-C 3.56Å; K126-G209 VanDerWaalsContact O-CA 3.27Å; K126-G209 WeakPolarHBondContact O-CA 3.46Å
210V97.8Very high97.5Very high57 Ų5739.5 Ų39.535%0.34523%0.227SC..EExtended strand (participates in β ladder)trans-140152.6-176.768.40000110.8F125 K126 L212F125-V210 CarbonylContact C-O 3.57Å; F125-V210 VanDerWaalsContact CA-O 3.28Å; F125-V210 WeakPolarHBondContact CA-O 3.23Å; F125-V210 WeakPolarHBondContact CB-O 3.46Å; K126-V210 HydrophobicContact CB-CG1 4.08Å; K126-V210 PolarHBondContact N-O 3.17Å; K126-V210 PolarHBondContact O-N 3.04Å; V210-L212 HydrophobicContact CG1-CD2 4.22Å
211M97.9Very high97.1Very high28 Ų2838.4 Ų38.414%0.13822%0.222CC..EExtended strand (participates in β ladder)trans-86.7126.9171.1-173.9-176.488.300109.5I194 R195 C198 L214I194-M211 HydrophobicContact CG2-SD 4.49Å; R195-M211 HydrophobicContact CB-CB 4.45Å; R195-M211 HydrophobicContact CB-CE 4.29Å; R195-M211 HydrophobicContact CB-SD 3.95Å; R195-M211 HydrophobicContact CG-CB 4.16Å; R195-M211 HydrophobicContact CG-CE 4.47Å; R195-M211 HydrophobicContact CG-SD 4.47Å; C198-M211 HydrophobicContact CB-CB 4.19Å; M211-L214 HydrophobicContact CE-CB 4.02Å; M211-L214 HydrophobicContact CE-CD2 4.41Å; M211-L214 HydrophobicContact SD-CB 3.84Å; M211-L214 HydrophobicContact SD-CD1 4.32Å; M211-L214 HydrophobicContact SD-CD2 3.96Å; M211-L214 HydrophobicContact SD-CG 4.28Å
212L97.8Very high96.9Very high91 Ų9138.3 Ų38.348%0.47622%0.222SC..EExtended strand (participates in β ladder)trans-91.5-52.7175.7-62.1-174.3000111.2V124 K126 I181 V210V124-L212 HydrophobicContact CB-CB 4.32Å; V124-L212 HydrophobicContact CG1-CB 4.18Å; V124-L212 HydrophobicContact CG1-CD1 4.13Å; V124-L212 PolarHBondContact O-N 2.9Å; K126-L212 HydrophobicContact CB-CD1 3.89Å; K126-L212 HydrophobicContact CB-CD2 4.06Å; K126-L212 HydrophobicContact CB-CG 3.94Å; I181-L212 HydrophobicContact CD1-CD1 4.03Å; I181-L212 HydrophobicContact CG1-CD1 4.2Å; I181-L212 HydrophobicContact CG2-CD1 4.44Å; V210-L212 HydrophobicContact CG1-CD2 4.22Å
213E98.1Very high96.8Very high108 Ų10838.6 Ų38.651%0.50522%0.224SC..EExtended strand (participates in β ladder)trans-141.3151.2-176.5-172.9172.9170.200110.4C123 V124C123-E213 WeakPolarHBondContact CA-O 3.48Å; V124-E213 HydrophobicContact CB-CB 4.1Å; V124-E213 HydrophobicContact CG2-CB 4.11Å; V124-E213 PolarHBondContact N-O 2.81Å; V124-E213 PolarHBondContact O-N 3.32Å
214L98.4Very high96.7Very high13 Ų1336 Ų367%0.06821%0.208CC..EExtended strand (participates in β ladder)trans-144131.6177.8-173.371.5000109.8V96 S97 Y121 C123 I194 M211V96-L214 WeakPolarHBondContact CA-O 3.46Å; V96-L214 HydrophobicContact CG1-CB 4.01Å; V96-L214 HydrophobicContact CG1-CD2 3.81Å; V96-L214 HydrophobicContact CG1-CG 3.86Å; V96-L214 VanDerWaalsContact CG1-O 3.31Å; V96-L214 WeakPolarHBondContact CG1-O 3.37Å; V96-L214 HydrophobicContact CG2-CB 4.06Å; V96-L214 HydrophobicContact CG2-CD2 3.93Å; V96-L214 HydrophobicContact CG2-CG 4.43Å; S97-L214 PolarHBondContact N-O 2.71Å; Y121-L214 HydrophobicContact CD1-CD1 4Å; Y121-L214 HydrophobicContact CD1-CD2 3.94Å; Y121-L214 HydrophobicContact CD1-CG 3.9Å; Y121-L214 HydrophobicContact CE1-CD2 4.25Å; Y121-L214 HydrophobicContact CG-CD1 4.12Å; C123-L214 HydrophobicContact CB-CD1 3.63Å; I194-L214 HydrophobicContact CB-CD1 3.89Å; I194-L214 HydrophobicContact CB-CD2 4.06Å; I194-L214 HydrophobicContact CG1-CD1 4.07Å; I194-L214 HydrophobicContact CG1-CD2 4.22Å; I194-L214 HydrophobicContact CG2-CD1 3.62Å; M211-L214 HydrophobicContact CE-CB 4.02Å; M211-L214 HydrophobicContact CE-CD2 4.41Å; M211-L214 HydrophobicContact SD-CB 3.84Å; M211-L214 HydrophobicContact SD-CD1 4.32Å; M211-L214 HydrophobicContact SD-CD2 3.96Å; M211-L214 HydrophobicContact SD-CG 4.28Å
215R98.4Very high96.6Very high60 Ų6041.2 Ų41.223%0.22623%0.228CC..EExtended strand (participates in β ladder)trans-122.5130.9170.8-179.8173.6177.381.1-4.3109.3D63 S97 Y121 V122 T217 E224 L228D63-R215 IonicContact OD1-CZ 3.95Å; D63-R215 IonicContact OD1-NH1 3.37Å; D63-R215 PolarHBondContact OD1-NH1 2.88Å; D63-R215 IonicContact OD1-NH2 2.61Å; D63-R215 IonicContact OD2-CZ 2.83Å; D63-R215 IonicContact OD2-NH1 3.85Å; D63-R215 PolarHBondContact OD2-NH1 3.28Å; D63-R215 IonicContact OD2-NH2 2.72Å; D63-R215 PolarHBondContact OD2-NH2 3.3Å; S97-R215 WeakPolarHBondContact O-CA 3.19Å; Y121-R215 CarbonylContact C-O 3.52Å; Y121-R215 VanDerWaalsContact CA-O 3.23Å; Y121-R215 WeakPolarHBondContact CA-O 3.45Å; V122-R215 PolarHBondContact N-O 2.92Å; V122-R215 PolarHBondContact O-N 3.48Å; R215-T217 HydrophobicContact CG-CG2 4.44Å; R215-T217 PolarHBondContact O-N 3.03Å; R215-E224 IonicContact CZ-OE2 3.82Å; R215-E224 IonicContact NE-OE2 3Å; R215-E224 PolarHBondContact NE-OE2 3.46Å; R215-E224 IonicContact NH2-OE2 3.44Å; R215-E224 PolarHBondContact NH2-OE2 3.43Å; R215-L228 VanDerWaalsContact NH2-CD2 3.33Å
216R98.3Very high96.2Very high4 Ų443.4 Ų43.42%0.01524%0.238CC..EExtended strand (participates in β ladder)trans-85.8109171.9-170160.869.4-162.8-0.7109.6G90 L92 S97 G98 C99 L100 E120 Y121 R218G90-R216 PolarHBondContact O-NH1 3.15Å; G90-R216 PolarHBondContact O-NH2 3.21Å; L92-R216 HydrophobicContact CD1-CB 4.49Å; L92-R216 HydrophobicContact CD2-CB 3.86Å; L92-R216 HydrophobicContact CD2-CG 4.48Å; L92-R216 VanDerWaalsContact CD2-CZ 3.41Å; L92-R216 VanDerWaalsContact CG-CZ 3.41Å; S97-R216 PolarHBondContact O-N 3.43Å; G98-R216 CarbonylContact C-O 3.58Å; G98-R216 WeakPolarHBondContact CA-O 3.43Å; C99-R216 PolarHBondContact N-O 2.9Å; C99-R216 PolarHBondContact O-NE 3.47Å; C99-R216 PolarHBondContact O-NH2 2.91Å; C99-R216 PolarHBondContact SG-O 3.19Å; C99-R216 VanDerWaalsContact SG-O 3.41Å; L100-R216 VanDerWaalsContact CD1-NH2 3.31Å; E120-R216 CarbonylContact O-C 3.58Å; E120-R216 WeakPolarHBondContact O-CA 3.49Å; E120-R216 WeakPolarHBondContact O-CG 3.24Å; Y121-R216 HydrophobicContact CD1-CB 3.67Å; Y121-R216 HydrophobicContact CD1-CG 3.89Å; Y121-R216 HydrophobicContact CE1-CB 3.55Å; Y121-R216 VanDerWaalsContact CE1-CD 3.47Å; Y121-R216 HydrophobicContact CE1-CG 3.55Å; Y121-R216 WeakPolarHBondContact OH-CD 3.46Å; R216-R218 WeakPolarHBondContact CG-O 3.32Å
217T98.3Very high95.7Very high7 Ų742.4 Ų42.44%0.04323%0.228CC..EExtended strand (participates in β ladder)trans-89-17.9-177.357.80000112.5C99 E120 V122 R215 S223 E224C99-T217 VanDerWaalsContact SG-C 3.59Å; C99-T217 PolarHBondContact SG-O 3.45Å; E120-T217 WeakPolarHBondContact CG-OG1 3.36Å; E120-T217 PolarHBondContact O-N 3.06Å; E120-T217 PolarHBondContact O-OG1 3.34Å; V122-T217 HydrophobicContact CB-CG2 4.14Å; V122-T217 HydrophobicContact CG2-CG2 3.62Å; R215-T217 HydrophobicContact CG-CG2 4.44Å; R215-T217 PolarHBondContact O-N 3.03Å; T217-S223 CarbonylContact O-C 3.54Å; T217-S223 WeakPolarHBondContact O-CA 3.27Å; T217-S223 VanDerWaalsContact O-CB 3.32Å; T217-S223 WeakPolarHBondContact O-CB 3.48Å; T217-E224 VanDerWaalsContact CG2-OE1 3.3Å; T217-E224 WeakPolarHBondContact CG2-OE1 3.49Å; T217-E224 PolarHBondContact O-N 3.24Å
218R97.7Very high95.7Very high68 Ų6842.7 Ų42.726%0.25723%0.228SC..EExtended strand (participates in β ladder)trans-145.7140.2174.6-171.6172.7-82.4-73.51112.9E120 R216 G220 I221 T222 S223 E226E120-R218 HydrophobicContact CB-CB 3.58Å; E120-R218 PolarHBondContact N-O 2.96Å; E120-R218 PolarHBondContact O-N 3.43Å; R216-R218 WeakPolarHBondContact CG-O 3.32Å; R218-G220 WeakPolarHBondContact CG-O 3.17Å; R218-I221 VanDerWaalsContact NH1-C 3.31Å; R218-I221 PolarHBondContact NH1-O 2.89Å; R218-T222 CarbonylContact C-O 3.51Å; R218-T222 WeakPolarHBondContact CA-O 3.23Å; R218-T222 WeakPolarHBondContact CG-O 3.34Å; R218-S223 VanDerWaalsContact CZ-CB 3.46Å; R218-S223 VanDerWaalsContact NH2-CB 3.3Å; R218-S223 PolarHBondContact NH2-OG 3.21Å; R218-S223 VanDerWaalsContact NH2-OG 3.12Å; R218-E226 IonicContact CZ-OE1 3.45Å; R218-E226 IonicContact NH1-OE1 3.04Å; R218-E226 PolarHBondContact NH1-OE1 3.14Å; R218-E226 IonicContact NH2-OE1 2.77Å; R218-E226 PolarHBondContact NH2-OE1 3.14Å; R218-E226 VanDerWaalsContact NH2-OE1 3.09Å
219S95.2Very high95.7Very high0 Ų042.3 Ų42.30%022%0.221CC..EExtended strand (participates in β ladder)trans-127.5102.5168.9168.60000110.9S89 I101 K119 I221 T222S89-S219 PolarHBondContact OG-OG 2.86Å; I101-S219 VanDerWaalsContact CD1-O 3.28Å; I101-S219 WeakPolarHBondContact CD1-O 3.22Å; K119-S219 WeakPolarHBondContact CE-OG 3.3Å; S219-I221 PolarHBondContact O-N 3.4Å; S219-T222 PolarHBondContact N-O 3.16Å; S219-T222 PolarHBondContact O-N 2.85Å; S219-T222 PolarHBondContact O-OG1 2.9Å
220G92.1Very high95.7Very high16 Ų1643.6 Ų43.617%0.16523%0.23CC..THydrogen-bonded Turntrans60-123.4-175.200000110.1G118 R218G118-G220 WeakPolarHBondContact O-CA 3.28Å; G118-G220 PolarHBondContact O-N 2.74Å; R218-G220 WeakPolarHBondContact CG-O 3.17Å
221I90.9Very high95.7Very high22 Ų2242.4 Ų42.411%0.11322%0.22CC..THydrogen-bonded Turntrans-79.5-16.5-176.5-161.1157.6000114.4R218 S219 E226 L260 V262 Q263R218-I221 VanDerWaalsContact NH1-C 3.31Å; R218-I221 PolarHBondContact NH1-O 2.89Å; S219-I221 PolarHBondContact O-N 3.4Å; I221-E226 VanDerWaalsContact O-OE2 3.06Å; I221-L260 HydrophobicContact CG2-CD2 4.06Å; I221-V262 HydrophobicContact CD1-CG2 3.28Å; I221-Q263 HydrophobicContact CD1-CB 4.3Å; I221-Q263 HydrophobicContact CD1-CG 3.64Å
222T94.1Very high95.7Very high1 Ų148.3 Ų48.31%0.00625%0.246CC..EExtended strand (participates in β ladder)trans-99.6131.5-176.363.60000111.8F59 I101 R218 S219 L260F59-T222 HydrophobicContact CE2-CG2 3.84Å; F59-T222 HydrophobicContact CZ-CG2 4.25Å; I101-T222 HydrophobicContact CD1-CG2 4.13Å; I101-T222 WeakPolarHBondContact CD1-OG1 3.31Å; I101-T222 HydrophobicContact CG1-CG2 4.29Å; I101-T222 VanDerWaalsContact CG1-OG1 3.26Å; I101-T222 WeakPolarHBondContact CG1-OG1 3.37Å; R218-T222 CarbonylContact C-O 3.51Å; R218-T222 WeakPolarHBondContact CA-O 3.23Å; R218-T222 WeakPolarHBondContact CG-O 3.34Å; S219-T222 PolarHBondContact N-O 3.16Å; S219-T222 PolarHBondContact O-N 2.85Å; S219-T222 PolarHBondContact O-OG1 2.9Å; T222-L260 HydrophobicContact CG2-CD2 4.23Å
223S96.3Very high95.7Very high6 Ų646.1 Ų46.14%0.04223%0.234CC..EExtended strand (participates in β ladder)trans-111.3175.216958.10000112.9N61 C99 T217 R218 E225 E226N61-S223 PolarHBondContact ND2-O 2.83Å; C99-S223 VanDerWaalsContact SG-C 3.51Å; T217-S223 CarbonylContact O-C 3.54Å; T217-S223 WeakPolarHBondContact O-CA 3.27Å; T217-S223 VanDerWaalsContact O-CB 3.32Å; T217-S223 WeakPolarHBondContact O-CB 3.48Å; R218-S223 VanDerWaalsContact CZ-CB 3.46Å; R218-S223 VanDerWaalsContact NH2-CB 3.3Å; R218-S223 PolarHBondContact NH2-OG 3.21Å; R218-S223 VanDerWaalsContact NH2-OG 3.12Å; S223-E225 PolarHBondContact O-N 2.97Å; S223-E225 PolarHBondContact OG-N 2.89Å; S223-E226 PolarHBondContact O-N 2.89Å; S223-E226 PolarHBondContact OG-OE1 3.23Å
224E95.6Very high95.7Very high68 Ų6841 Ų4132%0.31821%0.21SC..THydrogen-bonded Turntrans-63.2-19173.260.9-173179.500113.7C99 R215 T217 E226 L228C99-E224 PolarHBondContact SG-N 2.81Å; R215-E224 IonicContact CZ-OE2 3.82Å; R215-E224 IonicContact NE-OE2 3Å; R215-E224 PolarHBondContact NE-OE2 3.46Å; R215-E224 IonicContact NH2-OE2 3.44Å; R215-E224 PolarHBondContact NH2-OE2 3.43Å; T217-E224 VanDerWaalsContact CG2-OE1 3.3Å; T217-E224 WeakPolarHBondContact CG2-OE1 3.49Å; T217-E224 PolarHBondContact O-N 3.24Å; E224-E226 VanDerWaalsContact C-N 3.31Å; E224-L228 HydrophobicContact CB-CD2 3.9Å; E224-L228 WeakPolarHBondContact O-CB 3.44Å
225E94Very high95.7Very high169 Ų16944.5 Ų44.579%0.7923%0.229SC*.THydrogen-bonded Turntrans-82.3-11175.3-60.9170.4175.100112.3S223S223-E225 PolarHBondContact O-N 2.97Å; S223-E225 PolarHBondContact OG-N 2.89Å
226E88.6Confident95.7Very high61 Ų6145.6 Ų45.629%0.28524%0.239SC..THydrogen-bonded Turntrans-111.375.6-171.2-67.5175.7-141.300111.9N61 R218 I221 S223 E224 L228 R255N61-E226 PolarHBondContact ND2-O 2.81Å; R218-E226 IonicContact CZ-OE1 3.45Å; R218-E226 IonicContact NH1-OE1 3.04Å; R218-E226 PolarHBondContact NH1-OE1 3.14Å; R218-E226 IonicContact NH2-OE1 2.77Å; R218-E226 PolarHBondContact NH2-OE1 3.14Å; R218-E226 VanDerWaalsContact NH2-OE1 3.09Å; I221-E226 VanDerWaalsContact O-OE2 3.06Å; S223-E226 PolarHBondContact O-N 2.89Å; S223-E226 PolarHBondContact OG-OE1 3.23Å; E224-E226 VanDerWaalsContact C-N 3.31Å; E226-L228 PolarHBondContact O-N 3.08Å; E226-R255 IonicContact OE2-NH1 3.74Å
227G87.6Confident95.8Very high48 Ų4845.4 Ų45.450%0.49524%0.238SC..THydrogen-bonded Turntrans60.54617400000112.4
228L96.4Very high95.8Very high43 Ų4345.6 Ų45.623%0.22524%0.239CC..EExtended strand (participates in β ladder)trans-70129.8174.3-168.176.4000109.5N61 D63 C99 R215 E224 E226N61-L228 WeakPolarHBondContact O-CA 3.41Å; D63-L228 HydrophobicContact CB-CD1 4.15Å; D63-L228 HydrophobicContact CB-CD2 3.66Å; D63-L228 HydrophobicContact CB-CG 3.78Å; D63-L228 WeakPolarHBondContact OD2-CD2 3.49Å; C99-L228 HydrophobicContact CB-CD1 4.41Å; R215-L228 VanDerWaalsContact NH2-CD2 3.33Å; E224-L228 HydrophobicContact CB-CD2 3.9Å; E224-L228 WeakPolarHBondContact O-CB 3.44Å; E226-L228 PolarHBondContact O-N 3.08Å
229V97.9Very high95.8Very high12 Ų1249.6 Ų49.67%0.07325%0.254CS..EExtended strand (participates in β ladder)trans-125.8146-175.1-59.10000111.5L60 N61 L62 D63 D233 V234 I253L60-V229 HydrophobicContact CB-CG2 4.42Å; L60-V229 HydrophobicContact CD2-CG2 4.26Å; N61-V229 PolarHBondContact O-N 2.97Å; L62-V229 CarbonylContact C-O 3.58Å; L62-V229 WeakPolarHBondContact CA-O 3.39Å; L62-V229 HydrophobicContact CD1-CG2 4.38Å; L62-V229 WeakPolarHBondContact CD1-O 3.48Å; D63-V229 PolarHBondContact N-O 2.9Å; V229-D233 HydrophobicContact CB-CB 4.32Å; V229-V234 HydrophobicContact CG2-CG2 4.41Å; V229-I253 HydrophobicContact CB-CB 4.49Å; V229-I253 HydrophobicContact CB-CG2 4.48Å; V229-I253 HydrophobicContact CG1-CB 3.89Å; V229-I253 HydrophobicContact CG1-CG2 3.8Å
230S98Very high96Very high34 Ų3451.6 Ų51.624%0.23827%0.265CS..  trans-86.9168.117575.30000111.7F232 D233 V234S230-F232 PolarHBondContact O-N 3.49Å; S230-F232 PolarHBondContact OG-N 3.05Å; S230-D233 WeakPolarHBondContact CA-OD2 3.42Å; S230-D233 VanDerWaalsContact CB-OD2 3.32Å; S230-D233 WeakPolarHBondContact CB-OD2 3.4Å; S230-D233 PolarHBondContact N-OD2 2.96Å; S230-D233 PolarHBondContact O-N 3.37Å; S230-D233 PolarHBondContact OG-N 3.23Å; S230-D233 VanDerWaalsContact OG-N 3.17Å; S230-D233 PolarHBondContact OG-OD2 2.95Å; S230-V234 WeakPolarHBondContact O-CG2 3.42Å; S230-V234 PolarHBondContact O-N 3.44Å
231M97.6Very high96.3Very high31 Ų3154.3 Ų54.315%0.15327%0.27CS..Hα-helixtrans-63.3-27.8170.6-70.2-70.3-5700112.6L62 V73 W76 I77 I80 L235L62-M231 HydrophobicContact CD1-CG 4.37Å; L62-M231 HydrophobicContact CD1-SD 4.03Å; L62-M231 HydrophobicContact CD2-SD 3.86Å; V73-M231 HydrophobicContact CG1-SD 3.78Å; W76-M231 HydrophobicContact CB-CE 3.61Å; W76-M231 HydrophobicContact CE3-CE 4.35Å; I77-M231 HydrophobicContact CD1-CE 3.77Å; I77-M231 HydrophobicContact CD1-SD 3.28Å; I77-M231 WeakPolarHBondContact CD1-SD 3.42Å; I77-M231 HydrophobicContact CG1-CE 4.02Å; I77-M231 HydrophobicContact CG1-SD 3.61Å; I80-M231 HydrophobicContact CD1-CE 3.61Å; M231-L235 PolarHBondContact O-N 3.31Å; M231-L235 VanDerWaalsContact O-N 3.13Å
232F98.1Very high96.6Very high153 Ų15356.3 Ų56.367%0.67128%0.281SS*.Hα-helixtrans-69.6-44.1177.6-58.7-67.3000110.2S230 V234 L235 D236S230-F232 PolarHBondContact O-N 3.49Å; S230-F232 PolarHBondContact OG-N 3.05Å; F232-V234 PolarHBondContact O-N 2.75Å; F232-L235 WeakPolarHBondContact O-CB 3.31Å; F232-L235 PolarHBondContact O-N 2.96Å; F232-D236 WeakPolarHBondContact O-CB 3.4Å; F232-D236 PolarHBondContact O-N 2.72Å
233D98.5Very high96.8Very high44 Ų4461 Ų6124%0.23531%0.306CS..Hα-helixtrans-58.7-38.9176.3-53.2-44.4000111.7V229 S230 A237 Y249 I253V229-D233 HydrophobicContact CB-CB 4.32Å; S230-D233 WeakPolarHBondContact CA-OD2 3.42Å; S230-D233 VanDerWaalsContact CB-OD2 3.32Å; S230-D233 WeakPolarHBondContact CB-OD2 3.4Å; S230-D233 PolarHBondContact N-OD2 2.96Å; S230-D233 PolarHBondContact O-N 3.37Å; S230-D233 PolarHBondContact OG-N 3.23Å; S230-D233 VanDerWaalsContact OG-N 3.17Å; S230-D233 PolarHBondContact OG-OD2 2.95Å; D233-A237 WeakPolarHBondContact O-CB 3.33Å; D233-A237 PolarHBondContact O-N 3Å; D233-Y249 HydrophobicContact CB-CE2 4.4Å; D233-Y249 WeakPolarHBondContact CB-OH 3.28Å; D233-Y249 PolarHBondContact OD1-OH 3.22Å; D233-I253 HydrophobicContact CB-CG2 4.42Å
234V98.5Very high96.9Very high0 Ų065 Ų650%033%0.33CS..Hα-helixtrans-67.4-38.9176.8-175.60000111.7L60 L62 I77 I80 L81 V229 S230 F232 Q238 I253L60-V234 HydrophobicContact CD1-CG2 4.12Å; L60-V234 HydrophobicContact CD2-CG2 4.23Å; L62-V234 HydrophobicContact CD1-CG2 4.3Å; I77-V234 HydrophobicContact CD1-CB 3.98Å; I77-V234 HydrophobicContact CD1-CG1 3.8Å; I77-V234 HydrophobicContact CD1-CG2 3.76Å; I80-V234 HydrophobicContact CG2-CG1 3.91Å; L81-V234 HydrophobicContact CD1-CG1 4.29Å; L81-V234 HydrophobicContact CD2-CG1 3.8Å; L81-V234 HydrophobicContact CG-CG1 3.89Å; V229-V234 HydrophobicContact CG2-CG2 4.41Å; S230-V234 WeakPolarHBondContact O-CG2 3.42Å; S230-V234 PolarHBondContact O-N 3.44Å; F232-V234 PolarHBondContact O-N 2.75Å; V234-Q238 WeakPolarHBondContact O-CB 3.45Å; V234-Q238 PolarHBondContact O-N 2.97Å; V234-Q238 VanDerWaalsContact O-N 3.17Å; V234-I253 HydrophobicContact CB-CD1 4.21Å; V234-I253 HydrophobicContact CG1-CD1 4.46Å; V234-I253 HydrophobicContact CG2-CD1 3.99Å
235L98.4Very high97Very high88 Ų8863.9 Ų63.946%0.46134%0.338SS..Hα-helixtrans-67.3-46.2176.7-176.863.8000111.2I80 M231 F232 Q238 W239I80-L235 HydrophobicContact CG1-CD1 4.29Å; I80-L235 HydrophobicContact CG2-CB 4.47Å; I80-L235 HydrophobicContact CG2-CD1 4.16Å; M231-L235 PolarHBondContact O-N 3.31Å; M231-L235 VanDerWaalsContact O-N 3.13Å; F232-L235 WeakPolarHBondContact O-CB 3.31Å; F232-L235 PolarHBondContact O-N 2.96Å; L235-Q238 PolarHBondContact O-N 2.69Å; L235-W239 WeakPolarHBondContact O-CB 3.14Å; L235-W239 PolarHBondContact O-N 3.37Å
236D98.7Very high97.2Very high82 Ų8259.1 Ų59.144%0.43932%0.318SS..Hα-helixtrans-68.1-40.5-178.4-67.8-13.2000111.4F232 Q238 W239 L240 Y249F232-D236 WeakPolarHBondContact O-CB 3.4Å; F232-D236 PolarHBondContact O-N 2.72Å; D236-Q238 PolarHBondContact O-N 2.93Å; D236-W239 PolarHBondContact O-N 2.89Å; D236-L240 WeakPolarHBondContact O-CB 3.45Å; D236-L240 PolarHBondContact O-N 3.1Å; D236-Y249 HydrophobicContact CB-CE1 3.86Å
237A98.5Very high97.6Very high0 Ų059.1 Ų59.10%032%0.317CS..Hα-helixtrans-63.2-4217500000112D233 Y241 Y249 L250 I253D233-A237 WeakPolarHBondContact O-CB 3.33Å; D233-A237 PolarHBondContact O-N 3Å; A237-Y241 PolarHBondContact O-N 3.43Å; A237-Y241 VanDerWaalsContact O-N 3.15Å; A237-Y249 HydrophobicContact CB-CD1 3.8Å; A237-Y249 HydrophobicContact CB-CD2 4.06Å; A237-Y249 HydrophobicContact CB-CE1 4.38Å; A237-Y249 HydrophobicContact CB-CG 3.62Å; A237-L250 HydrophobicContact CB-CD2 3.84Å; A237-L250 HydrophobicContact CB-CG 4.12Å; A237-I253 HydrophobicContact CB-CD1 3.44Å; A237-I253 VanDerWaalsContact CB-CD1 3.44Å; A237-I253 HydrophobicContact CB-CG1 4.25Å
238Q98.3Very high98.1Very high11 Ų1160 Ų605%0.05132%0.316CS..Hα-helixtrans-65.5-44.3175-176.166.443.700111.2I80 V234 L235 D236 L240 Y241 D242I80-Q238 HydrophobicContact CG2-CB 4Å; I80-Q238 HydrophobicContact CG2-CG 4.45Å; I80-Q238 WeakPolarHBondContact O-CG 3.35Å; V234-Q238 WeakPolarHBondContact O-CB 3.45Å; V234-Q238 PolarHBondContact O-N 2.97Å; V234-Q238 VanDerWaalsContact O-N 3.17Å; L235-Q238 PolarHBondContact O-N 2.69Å; D236-Q238 PolarHBondContact O-N 2.93Å; Q238-L240 PolarHBondContact O-N 2.84Å; Q238-Y241 PolarHBondContact O-N 3.25Å; Q238-D242 PolarHBondContact NE2-OD1 3.38Å; Q238-D242 PolarHBondContact O-N 2.88Å
239W98.5Very high98.2Very high153 Ų15361.1 Ų61.158%0.5832%0.318SS*.Hα-helixtrans-60.6-45.5178.5-177.993.8000111.4L235 D236 Y241 D242 N243L235-W239 WeakPolarHBondContact O-CB 3.14Å; L235-W239 PolarHBondContact O-N 3.37Å; D236-W239 PolarHBondContact O-N 2.89Å; W239-Y241 PolarHBondContact O-N 2.92Å; W239-D242 PolarHBondContact O-N 2.89Å; W239-N243 VanDerWaalsContact CE2-ND2 3.31Å; W239-N243 HydrophobicContact CH2-CB 4.34Å; W239-N243 HydrophobicContact CZ2-CB 4.29Å; W239-N243 PolarHBondContact NE1-ND2 3.41Å; W239-N243 PolarHBondContact O-N 3.26Å; W239-N243 PolarHBondContact O-ND2 3.02Å
240L98.6Very high98.2Very high42 Ų4260.5 Ų60.522%0.2231%0.314CS..Hα-helixtrans-57.9-51178179.964.8000110.5D236 Q238 D242 N243 T244 D246 Y249D236-L240 WeakPolarHBondContact O-CB 3.45Å; D236-L240 PolarHBondContact O-N 3.1Å; Q238-L240 PolarHBondContact O-N 2.84Å; L240-D242 VanDerWaalsContact C-N 3.31Å; L240-D242 PolarHBondContact O-N 3.34Å; L240-N243 PolarHBondContact O-N 2.83Å; L240-T244 HydrophobicContact CD1-CG2 3.93Å; L240-T244 WeakPolarHBondContact CD1-OG1 3.12Å; L240-T244 PolarHBondContact O-N 3.5Å; L240-T244 PolarHBondContact O-OG1 2.77Å; L240-D246 HydrophobicContact CD1-CB 4.44Å; L240-D246 HydrophobicContact CD2-CB 4.24Å; L240-D246 HydrophobicContact CG-CB 4.07Å; L240-Y249 HydrophobicContact CD2-CD1 4.41Å
241Y98.3Very high98.2Very high73 Ų7362.4 Ų62.429%0.28632%0.316SS..Hα-helixtrans-58-42.6177.9176.4-112.5000112.7I51 A237 Q238 W239 N243 G245 D246 E247 L250I51-Y241 HydrophobicContact CG1-CE2 4.33Å; I51-Y241 HydrophobicContact CG2-CE2 4.15Å; I51-Y241 WeakPolarHBondContact CG2-OH 3.45Å; A237-Y241 PolarHBondContact O-N 3.43Å; A237-Y241 VanDerWaalsContact O-N 3.15Å; Q238-Y241 PolarHBondContact O-N 3.25Å; W239-Y241 PolarHBondContact O-N 2.92Å; Y241-N243 VanDerWaalsContact C-N 3.35Å; Y241-N243 PolarHBondContact O-N 2.77Å; Y241-G245 WeakPolarHBondContact O-CA 3.48Å; Y241-G245 PolarHBondContact O-N 3.32Å; Y241-D246 WeakPolarHBondContact CA-O 3.35Å; Y241-E247 HydrophobicContact CD2-CG 3.92Å; Y241-E247 HydrophobicContact CE2-CG 3.77Å; Y241-L250 VanDerWaalsContact CB-CD1 3.46Å; Y241-L250 HydrophobicContact CD1-CD1 3.85Å; Y241-L250 HydrophobicContact CD2-CD1 4.22Å; Y241-L250 HydrophobicContact CG-CD1 3.56Å
242D98Very high98.1Very high63 Ų6366.7 Ų66.734%0.33734%0.34SS..Hα-helixtrans-67.6-33.7-179-67-35000113.4R82 Q238 W239 L240R82-D242 IonicContact CZ-OD1 2.9Å; R82-D242 IonicContact CZ-OD2 2.84Å; R82-D242 IonicContact NH1-OD1 3.87Å; R82-D242 PolarHBondContact NH1-OD1 2.86Å; R82-D242 IonicContact NH1-OD2 2.76Å; R82-D242 PolarHBondContact NH1-OD2 2.95Å; R82-D242 IonicContact NH2-OD1 2.73Å; R82-D242 IonicContact NH2-OD2 3.65Å; R82-D242 PolarHBondContact NH2-OD2 3.32Å; Q238-D242 PolarHBondContact NE2-OD1 3.38Å; Q238-D242 PolarHBondContact O-N 2.88Å; W239-D242 PolarHBondContact O-N 2.89Å; L240-D242 VanDerWaalsContact C-N 3.31Å; L240-D242 PolarHBondContact O-N 3.34Å
243N98.4Very high98.1Very high100 Ų10059.6 Ų59.654%0.53531%0.309SS..Hα-helixtrans-98-25.1-171.5-70.4-89.7000113.4W239 L240 Y241W239-N243 VanDerWaalsContact CE2-ND2 3.31Å; W239-N243 HydrophobicContact CH2-CB 4.34Å; W239-N243 HydrophobicContact CZ2-CB 4.29Å; W239-N243 PolarHBondContact NE1-ND2 3.41Å; W239-N243 PolarHBondContact O-N 3.26Å; W239-N243 PolarHBondContact O-ND2 3.02Å; L240-N243 PolarHBondContact O-N 2.83Å; Y241-N243 VanDerWaalsContact C-N 3.35Å; Y241-N243 PolarHBondContact O-N 2.77Å
244T98.2Very high98.1Very high89 Ų8957.5 Ų57.555%0.54630%0.297SS..Hα-helixtrans-123.2-14.2-177.171.60000113.5L240 D246L240-T244 HydrophobicContact CD1-CG2 3.93Å; L240-T244 WeakPolarHBondContact CD1-OG1 3.12Å; L240-T244 PolarHBondContact O-N 3.5Å; L240-T244 PolarHBondContact O-OG1 2.77Å; T244-D246 PolarHBondContact O-N 2.77Å; T244-D246 VanDerWaalsContact OG1-CB 3.25Å; T244-D246 WeakPolarHBondContact OG1-CB 3.33Å; T244-D246 PolarHBondContact OG1-N 2.86Å; T244-D246 VanDerWaalsContact OG1-N 3.14Å
245G97.3Very high98Very high46 Ų4661.2 Ų61.247%0.47431%0.311SS..  trans74.24-170.200000113.9Y241 E247Y241-G245 WeakPolarHBondContact O-CA 3.48Å; Y241-G245 PolarHBondContact O-N 3.32Å; G245-E247 PolarHBondContact O-N 2.93Å
246D98.3Very high98Very high69 Ų6957.4 Ų57.437%0.36929%0.292SS..  trans-74.2115.8179.4-177.83000111.2L240 Y241 T244 S248L240-D246 HydrophobicContact CD1-CB 4.44Å; L240-D246 HydrophobicContact CD2-CB 4.24Å; L240-D246 HydrophobicContact CG-CB 4.07Å; Y241-D246 WeakPolarHBondContact CA-O 3.35Å; T244-D246 PolarHBondContact O-N 2.77Å; T244-D246 VanDerWaalsContact OG1-CB 3.25Å; T244-D246 WeakPolarHBondContact OG1-CB 3.33Å; T244-D246 PolarHBondContact OG1-N 2.86Å; T244-D246 VanDerWaalsContact OG1-N 3.14Å; D246-S248 WeakPolarHBondContact OD1-CB 3.5Å; D246-S248 PolarHBondContact OD1-N 3.35Å; D246-S248 PolarHBondContact OD1-OG 3Å; D246-S248 PolarHBondContact OD2-OG 2.84Å
247E97.9Very high98Very high60 Ų6053.6 Ų53.628%0.2827%0.272SS..  trans-86.9-9.2-178.7-56.8-177.7170.500113.5I51 Y241 G245 Y249 L250 R251I51-E247 VanDerWaalsContact CB-CD 3.43Å; I51-E247 HydrophobicContact CB-CG 4.1Å; I51-E247 WeakPolarHBondContact CB-OE1 3.21Å; I51-E247 HydrophobicContact CD1-CB 4.12Å; I51-E247 HydrophobicContact CD1-CG 4.37Å; I51-E247 HydrophobicContact CG1-CB 4.32Å; I51-E247 HydrophobicContact CG1-CG 4.02Å; I51-E247 HydrophobicContact CG2-CG 4.42Å; I51-E247 WeakPolarHBondContact CG2-OE1 3.39Å; Y241-E247 HydrophobicContact CD2-CG 3.92Å; Y241-E247 HydrophobicContact CE2-CG 3.77Å; G245-E247 PolarHBondContact O-N 2.93Å; E247-Y249 PolarHBondContact O-N 2.64Å; E247-L250 PolarHBondContact O-N 3.24Å; E247-R251 HydrophobicContact CB-CG 4.46Å; E247-R251 WeakPolarHBondContact O-CB 3.37Å; E247-R251 WeakPolarHBondContact O-CG 3.33Å; E247-R251 PolarHBondContact O-N 2.9Å; E247-R251 IonicContact OE2-CZ 3.68Å; E247-R251 VanDerWaalsContact OE2-CZ 3.3Å; E247-R251 IonicContact OE2-NE 2.89Å; E247-R251 PolarHBondContact OE2-NE 3.44Å; E247-R251 IonicContact OE2-NH2 3.09Å; E247-R251 PolarHBondContact OE2-NH2 2.96Å
248S97.6Very high97.9Very high66 Ų6653.7 Ų53.746%0.46227%0.272SS..Hα-helixtrans-58.3-45.9-168.5640000112.2D246 R251 N252D246-S248 WeakPolarHBondContact OD1-CB 3.5Å; D246-S248 PolarHBondContact OD1-N 3.35Å; D246-S248 PolarHBondContact OD1-OG 3Å; D246-S248 PolarHBondContact OD2-OG 2.84Å; S248-R251 PolarHBondContact O-N 2.88Å; S248-N252 WeakPolarHBondContact O-CB 3.25Å; S248-N252 PolarHBondContact O-N 2.88Å
249Y98.2Very high97.8Very high67 Ų6753.5 Ų53.526%0.26327%0.272SS..Hα-helixtrans-69.4-41.4-177.8-159.5179.6000111.6D233 D236 A237 L240 E247 R251 N252 I253D233-Y249 HydrophobicContact CB-CE2 4.4Å; D233-Y249 WeakPolarHBondContact CB-OH 3.28Å; D233-Y249 PolarHBondContact OD1-OH 3.22Å; D236-Y249 HydrophobicContact CB-CE1 3.86Å; A237-Y249 HydrophobicContact CB-CD1 3.8Å; A237-Y249 HydrophobicContact CB-CD2 4.06Å; A237-Y249 HydrophobicContact CB-CE1 4.38Å; A237-Y249 HydrophobicContact CB-CG 3.62Å; L240-Y249 HydrophobicContact CD2-CD1 4.41Å; E247-Y249 PolarHBondContact O-N 2.64Å; Y249-R251 VanDerWaalsContact C-N 3.33Å; Y249-R251 PolarHBondContact O-N 2.82Å; Y249-N252 WeakPolarHBondContact O-CB 3.23Å; Y249-N252 PolarHBondContact O-N 2.92Å; Y249-I253 HydrophobicContact CD2-CG2 3.75Å; Y249-I253 HydrophobicContact CE2-CG2 3.59Å; Y249-I253 PolarHBondContact O-N 2.88Å
250L98.4Very high97.7Very high0 Ų046.4 Ų46.40%025%0.246CC..Hα-helixtrans-60.6-42.5173.7-77.6175.4000111.8I51 I55 L81 A237 Y241 E247 N252 I253 I254I51-L250 HydrophobicContact CD1-CB 4.09Å; I51-L250 HydrophobicContact CD1-CD1 4.39Å; I51-L250 HydrophobicContact CG1-CD1 4.47Å; I55-L250 HydrophobicContact CD1-CD1 4.2Å; L81-L250 HydrophobicContact CD2-CD2 3.94Å; A237-L250 HydrophobicContact CB-CD2 3.84Å; A237-L250 HydrophobicContact CB-CG 4.12Å; Y241-L250 VanDerWaalsContact CB-CD1 3.46Å; Y241-L250 HydrophobicContact CD1-CD1 3.85Å; Y241-L250 HydrophobicContact CD2-CD1 4.22Å; Y241-L250 HydrophobicContact CG-CD1 3.56Å; E247-L250 PolarHBondContact O-N 3.24Å; L250-N252 VanDerWaalsContact C-N 3.29Å; L250-N252 PolarHBondContact O-N 3.16Å; L250-I253 PolarHBondContact O-N 3.37Å; L250-I254 HydrophobicContact CD2-CD1 4.15Å; L250-I254 VanDerWaalsContact O-CB 3.29Å; L250-I254 WeakPolarHBondContact O-CB 3.36Å; L250-I254 PolarHBondContact O-N 2.84Å
251R97.4Very high97.6Very high73 Ų7344.4 Ų44.428%0.27524%0.235SC..Hα-helixtrans-66.4-31.5177.4-72.4177.5-179.8-77.2-2.6112.7R49 I51 E247 S248 Y249R49-R251 PolarHBondContact O-NH1 3.11Å; R49-R251 PolarHBondContact O-NH2 3.07Å; I51-R251 HydrophobicContact CD1-CG 4.12Å; E247-R251 HydrophobicContact CB-CG 4.46Å; E247-R251 WeakPolarHBondContact O-CB 3.37Å; E247-R251 WeakPolarHBondContact O-CG 3.33Å; E247-R251 PolarHBondContact O-N 2.9Å; E247-R251 IonicContact OE2-CZ 3.68Å; E247-R251 VanDerWaalsContact OE2-CZ 3.3Å; E247-R251 IonicContact OE2-NE 2.89Å; E247-R251 PolarHBondContact OE2-NE 3.44Å; E247-R251 IonicContact OE2-NH2 3.09Å; E247-R251 PolarHBondContact OE2-NH2 2.96Å; S248-R251 PolarHBondContact O-N 2.88Å; Y249-R251 VanDerWaalsContact C-N 3.33Å; Y249-R251 PolarHBondContact O-N 2.82Å
252N96.2Very high97.5Very high122 Ų12243.7 Ų43.765%0.65224%0.239SC*.Hα-helixtrans-70.5-46.6176.2-174.146.9000112S248 Y249 L250S248-N252 WeakPolarHBondContact O-CB 3.25Å; S248-N252 PolarHBondContact O-N 2.88Å; Y249-N252 WeakPolarHBondContact O-CB 3.23Å; Y249-N252 PolarHBondContact O-N 2.92Å; L250-N252 VanDerWaalsContact C-N 3.29Å; L250-N252 PolarHBondContact O-N 3.16Å
253I97.7Very high97.2Very high3 Ų348 Ų482%0.01526%0.257CS..Hα-helixtrans-81.5-34.3-175.770.2174.1000112.8L60 V229 D233 V234 A237 Y249 L250L60-I253 HydrophobicContact CD2-CB 4.21Å; L60-I253 HydrophobicContact CD2-CD1 4.22Å; L60-I253 HydrophobicContact CD2-CG1 3.97Å; L60-I253 WeakPolarHBondContact CD2-O 3.45Å; V229-I253 HydrophobicContact CB-CB 4.49Å; V229-I253 HydrophobicContact CB-CG2 4.48Å; V229-I253 HydrophobicContact CG1-CB 3.89Å; V229-I253 HydrophobicContact CG1-CG2 3.8Å; D233-I253 HydrophobicContact CB-CG2 4.42Å; V234-I253 HydrophobicContact CB-CD1 4.21Å; V234-I253 HydrophobicContact CG1-CD1 4.46Å; V234-I253 HydrophobicContact CG2-CD1 3.99Å; A237-I253 HydrophobicContact CB-CD1 3.44Å; A237-I253 VanDerWaalsContact CB-CD1 3.44Å; A237-I253 HydrophobicContact CB-CG1 4.25Å; Y249-I253 HydrophobicContact CD2-CG2 3.75Å; Y249-I253 HydrophobicContact CE2-CG2 3.59Å; Y249-I253 PolarHBondContact O-N 2.88Å; L250-I253 PolarHBondContact O-N 3.37Å
254I98.2Very high97.1Very high0 Ų044.8 Ų44.80%024%0.238CC..SBendtrans-91.9112.1178.6-60.4170.1000108.8H54 I55 L60 L81 I104 L250H54-I254 PolarHBondContact CE1-O 2.76Å; H54-I254 PolarHBondContact NE2-O 3.4Å; I55-I254 HydrophobicContact CB-CD1 4.27Å; I55-I254 HydrophobicContact CG1-CD1 3.72Å; I55-I254 HydrophobicContact CG2-CD1 4.17Å; L60-I254 HydrophobicContact CD2-CB 4.46Å; L60-I254 HydrophobicContact CD2-CG1 3.62Å; L60-I254 HydrophobicContact CG-CG1 4.33Å; L81-I254 HydrophobicContact CD1-CD1 4.23Å; L81-I254 HydrophobicContact CD2-CD1 4.36Å; I104-I254 HydrophobicContact CD1-CD1 4.07Å; I104-I254 HydrophobicContact CD1-CG1 4.26Å; I104-I254 HydrophobicContact CD1-CG2 4.25Å; L250-I254 HydrophobicContact CD2-CD1 4.15Å; L250-I254 VanDerWaalsContact O-CB 3.29Å; L250-I254 WeakPolarHBondContact O-CB 3.36Å; L250-I254 PolarHBondContact O-N 2.84Å
255R97.3Very high97.1Very high78 Ų7843.5 Ų43.529%0.29423%0.225SC..EExtended strand (participates in β ladder)trans-89.7143.5177.1-62-176.671.7-174.30.7110.3G58 F59 E226G58-R255 CarbonylContact C-O 3.59Å; G58-R255 WeakPolarHBondContact CA-O 3.49Å; F59-R255 HydrophobicContact CD1-CB 4.23Å; F59-R255 WeakPolarHBondContact CD1-O 3.35Å; F59-R255 HydrophobicContact CE1-CB 3.65Å; F59-R255 HydrophobicContact CE2-CB 4.25Å; F59-R255 HydrophobicContact CZ-CB 3.68Å; F59-R255 HydrophobicContact CZ-CG 4.49Å; F59-R255 PolarHBondContact N-O 3.41Å; F59-R255 PolarHBondContact O-N 3.15Å; E226-R255 IonicContact OE2-NH1 3.74Å
256P97.9Very high97.1Very high8 Ų841.9 Ų41.95%0.05221%0.205CC..EExtended strand (participates in β ladder)trans-64.1141.7175.727.5-34.7000110.6L22 P46 L47 F59 E258 A259L22-P256 HydrophobicContact CD1-CB 4.36Å; L22-P256 HydrophobicContact CD1-CG 3.54Å; L22-P256 HydrophobicContact CD2-CG 4.27Å; P46-P256 HydrophobicContact CB-CB 3.9Å; P46-P256 HydrophobicContact CB-CG 4.39Å; L47-P256 HydrophobicContact CD2-CG 3.99Å; F59-P256 WeakPolarHBondContact CE1-O 3.42Å; P256-E258 PolarHBondContact O-N 3.48Å; P256-A259 WeakPolarHBondContact O-CB 3.48Å; P256-A259 PolarHBondContact O-N 3.28Å
257L97.6Very high97.2Very high3 Ų338.6 Ų38.62%0.01619%0.187CC..G310 helixtrans-55-23.7-177.563.480.7000114.2T57 A107 L110 A259 L260 L261 A310 I338T57-L257 WeakPolarHBondContact O-CB 3.38Å; T57-L257 WeakPolarHBondContact O-CD2 3.2Å; T57-L257 WeakPolarHBondContact O-CG 3.46Å; T57-L257 PolarHBondContact O-N 3.3Å; A107-L257 HydrophobicContact CB-CB 4.03Å; A107-L257 HydrophobicContact CB-CD2 4.31Å; L110-L257 HydrophobicContact CD1-CB 3.99Å; L110-L257 HydrophobicContact CD1-CD1 4.24Å; L257-A259 PolarHBondContact O-N 2.76Å; L257-L260 WeakPolarHBondContact O-CB 3.43Å; L257-L260 PolarHBondContact O-N 2.87Å; L257-L261 HydrophobicContact CD1-CD1 4.36Å; L257-A310 HydrophobicContact CD1-CB 3.81Å; L257-I338 HydrophobicContact CD1-CG2 3.73Å; L257-I338 HydrophobicContact CD2-CG2 3.6Å; L257-I338 HydrophobicContact CG-CG2 4.39Å
258E97.9Very high97.2Very high1 Ų136 Ų361%0.00518%0.175CC..G310 helixtrans-57.6-30.3175.9-75.676.2-170.100112.2L22 L23 P46 R49 P256 L260 L261 V262 G308 A310L22-E258 HydrophobicContact CB-CB 4.23Å; L22-E258 HydrophobicContact CD1-CB 4.14Å; L23-E258 HydrophobicContact CD1-CB 4.03Å; L23-E258 HydrophobicContact CD1-CG 3.72Å; L23-E258 HydrophobicContact CG-CB 4.1Å; L23-E258 HydrophobicContact CG-CG 4.25Å; P46-E258 HydrophobicContact CB-CG 4.18Å; P46-E258 HydrophobicContact CG-CB 4.45Å; P46-E258 HydrophobicContact CG-CG 3.74Å; R49-E258 IonicContact CZ-OE1 2.74Å; R49-E258 IonicContact CZ-OE2 3.13Å; R49-E258 IonicContact NH1-OE1 3Å; R49-E258 IonicContact NH1-OE2 3.69Å; R49-E258 PolarHBondContact NH1-OE2 2.8Å; R49-E258 IonicContact NH2-OE1 3.3Å; R49-E258 PolarHBondContact NH2-OE1 3.01Å; R49-E258 IonicContact NH2-OE2 3.88Å; P256-E258 PolarHBondContact O-N 3.48Å; E258-L260 PolarHBondContact O-N 3.16Å; E258-L261 PolarHBondContact O-N 2.93Å; E258-V262 WeakPolarHBondContact O-CG1 3.05Å; E258-V262 PolarHBondContact O-N 3.37Å; E258-G308 WeakPolarHBondContact CG-O 2.98Å; E258-A310 HydrophobicContact CG-CB 4.06Å; E258-A310 PolarHBondContact OE1-N 2.54Å
259A96.5Very high97.1Very high7 Ų733 Ų336%0.05815%0.154CC..G310 helixtrans-64.5-23.2177.100000112.5L22 F59 P256 L257 L261L22-A259 HydrophobicContact CD2-CB 3.61Å; F59-A259 HydrophobicContact CE1-CB 3.92Å; F59-A259 HydrophobicContact CZ-CB 4.07Å; P256-A259 WeakPolarHBondContact O-CB 3.48Å; P256-A259 PolarHBondContact O-N 3.28Å; L257-A259 PolarHBondContact O-N 2.76Å; A259-L261 PolarHBondContact O-N 2.72Å
260L96.1Very high96.9Very high4 Ų432.1 Ų32.12%0.02115%0.151CC..G310 helixtrans-76.9-11.2174-63.3175.5000113.4F59 I101 L110 Q114 I221 T222 L257 E258F59-L260 HydrophobicContact CB-CD1 4.34Å; F59-L260 HydrophobicContact CD1-CD1 3.72Å; F59-L260 HydrophobicContact CD1-CD2 4.22Å; F59-L260 HydrophobicContact CD1-CG 3.68Å; F59-L260 HydrophobicContact CD2-CD1 4.43Å; F59-L260 HydrophobicContact CD2-CD2 4.1Å; F59-L260 HydrophobicContact CD2-CG 4.41Å; F59-L260 HydrophobicContact CE1-CD1 4.09Å; F59-L260 HydrophobicContact CE1-CD2 3.87Å; F59-L260 HydrophobicContact CE1-CG 3.49Å; F59-L260 VanDerWaalsContact CE1-CG 3.49Å; F59-L260 HydrophobicContact CE2-CD2 3.74Å; F59-L260 HydrophobicContact CE2-CG 4.26Å; F59-L260 HydrophobicContact CG-CD1 3.89Å; F59-L260 HydrophobicContact CG-CD2 4.31Å; F59-L260 HydrophobicContact CG-CG 4.12Å; F59-L260 HydrophobicContact CZ-CD2 3.59Å; F59-L260 HydrophobicContact CZ-CG 3.79Å; I101-L260 HydrophobicContact CD1-CD2 3.89Å; I101-L260 HydrophobicContact CG2-CD1 4.39Å; I101-L260 HydrophobicContact CG2-CD2 4.33Å; L110-L260 HydrophobicContact CB-CD1 4.48Å; L110-L260 HydrophobicContact CD1-CB 4.33Å; L110-L260 HydrophobicContact CD1-CD1 4.16Å; Q114-L260 HydrophobicContact CG-CD1 4.1Å; Q114-L260 HydrophobicContact CG-CD2 4.48Å; I221-L260 HydrophobicContact CG2-CD2 4.06Å; T222-L260 HydrophobicContact CG2-CD2 4.23Å; L257-L260 WeakPolarHBondContact O-CB 3.43Å; L257-L260 PolarHBondContact O-N 2.87Å; E258-L260 PolarHBondContact O-N 3.16Å
261L96.7Very high96.7Very high0 Ų032.2 Ų32.20%015%0.152CC..SBendtrans-114-1.3-168.9-59.1-179.4000113.3L23 L110 L257 E258 A259 Q263 H264 V302 A310 L313 I338L23-L261 HydrophobicContact CD2-CB 4.11Å; L110-L261 HydrophobicContact CD1-CD1 4.15Å; L110-L261 HydrophobicContact CD1-CD2 4.1Å; L110-L261 HydrophobicContact CD1-CG 4.13Å; L110-L261 HydrophobicContact CD2-CD2 4.06Å; L257-L261 HydrophobicContact CD1-CD1 4.36Å; E258-L261 PolarHBondContact O-N 2.93Å; A259-L261 PolarHBondContact O-N 2.72Å; L261-Q263 PolarHBondContact O-N 2.86Å; L261-Q263 VanDerWaalsContact O-N 3.08Å; L261-H264 WeakPolarHBondContact O-CB 3.25Å; L261-H264 PolarHBondContact O-N 3.37Å; L261-H264 PolarHBondContact O-ND1 3.33Å; L261-V302 HydrophobicContact CB-CG2 4.45Å; L261-V302 HydrophobicContact CD1-CG2 3.93Å; L261-A310 HydrophobicContact CD1-CB 3.59Å; L261-L313 HydrophobicContact CD2-CD2 4.06Å; L261-I338 HydrophobicContact CD1-CD1 3.69Å
262V95Very high96.4Very high59 Ų5931.4 Ų31.436%0.35816%0.158SC..THydrogen-bonded Turntrans-64.5-15.7-173.8-58.10000114.9L23 I221 E258L23-V262 HydrophobicContact CD2-CG1 4.35Å; I221-V262 HydrophobicContact CD1-CG2 3.28Å; E258-V262 WeakPolarHBondContact O-CG1 3.05Å; E258-V262 PolarHBondContact O-N 3.37Å
263Q93Very high96.2Very high154 Ų15426.7 Ų26.772%0.7214%0.135SC*.THydrogen-bonded Turntrans-85.4-10.1172-81.9177.6-12.400113.9I221 L261I221-Q263 HydrophobicContact CD1-CB 4.3Å; I221-Q263 HydrophobicContact CD1-CG 3.64Å; L261-Q263 PolarHBondContact O-N 2.86Å; L261-Q263 VanDerWaalsContact O-N 3.08Å
264H96Very high96.1Very high31 Ų3126.5 Ų26.514%0.14414%0.135CC..SBendtrans-80.9141.2176.9-63.170.8000109.4L261 V302L261-H264 WeakPolarHBondContact O-CB 3.25Å; L261-H264 PolarHBondContact O-N 3.37Å; L261-H264 PolarHBondContact O-ND1 3.33Å; H264-V302 HydrophobicContact CB-CB 3.96Å; H264-V302 HydrophobicContact CB-CG1 3.78Å
265K97.9Very high96Very high62 Ų6226.6 Ų26.627%0.2714%0.135SC..EExtended strand (participates in β ladder)trans-64.1139.9170-61.7-70.3-1701570109.9E292 D293 D294 I295 I301 V302K265-E292 VanDerWaalsContact CA-OE2 3.25Å; K265-E292 WeakPolarHBondContact CA-OE2 3.4Å; K265-E292 HydrophobicContact CB-CB 4.34Å; K265-E292 HydrophobicContact CD-CB 4.2Å; K265-E292 HydrophobicContact CD-CG 3.76Å; K265-D293 WeakPolarHBondContact CD-O 3.39Å; K265-D293 WeakPolarHBondContact CE-O 3.36Å; K265-D293 PolarHBondContact NZ-O 3.16Å; K265-D294 IonicContact NZ-OD2 3.58Å; K265-I295 HydrophobicContact CB-CD1 4.37Å; K265-I295 HydrophobicContact CB-CG1 3.83Å; K265-I295 HydrophobicContact CG-CG1 4.37Å; K265-I301 HydrophobicContact CB-CG2 4.1Å; K265-I301 CarbonylContact O-C 3.58Å; K265-I301 WeakPolarHBondContact O-CA 3.48Å; K265-I301 WeakPolarHBondContact O-CB 3.41Å; K265-V302 PolarHBondContact O-N 2.91Å
266R98.3Very high95.9Very high12 Ų1224 Ų245%0.04513%0.13CC..EExtended strand (participates in β ladder)trans-108.2143.9-168.5-66.7154.9-69167.9-0.8113L23 K25 M30 F291 E292 V302 V304L23-R266 HydrophobicContact CD2-CG 4.29Å; L23-R266 WeakPolarHBondContact O-CD 3.21Å; L23-R266 PolarHBondContact O-NH1 2.81Å; K25-R266 PolarHBondContact O-NH1 2.98Å; K25-R266 PolarHBondContact O-NH2 2.74Å; M30-R266 HydrophobicContact CE-CB 3.95Å; M30-R266 WeakPolarHBondContact CE-O 3.48Å; R266-F291 WeakPolarHBondContact O-CA 3.45Å; R266-E292 IonicContact CZ-OE1 3.52Å; R266-E292 IonicContact CZ-OE2 2.72Å; R266-E292 PolarHBondContact N-OE2 3.01Å; R266-E292 IonicContact NE-OE1 3.59Å; R266-E292 IonicContact NE-OE2 3.64Å; R266-E292 PolarHBondContact NE-OE2 3.01Å; R266-E292 VanDerWaalsContact NH2-CD 3.26Å; R266-E292 IonicContact NH2-OE1 2.86Å; R266-E292 PolarHBondContact NH2-OE1 2.71Å; R266-E292 IonicContact NH2-OE2 3.53Å; R266-E292 PolarHBondContact NH2-OE2 2.78Å; R266-E292 PolarHBondContact O-N 3.09Å; R266-V302 WeakPolarHBondContact CA-O 3.39Å; R266-V302 HydrophobicContact CB-CG1 4.28Å; R266-V302 HydrophobicContact CG-CG1 3.48Å; R266-V302 VanDerWaalsContact CG-CG1 3.48Å; R266-V304 HydrophobicContact CB-CG2 4.27Å; R266-V304 HydrophobicContact CG-CG2 4.16Å
267I98.5Very high95.9Very high0 Ų023.7 Ų23.70%013%0.128CC..EExtended strand (participates in β ladder)trans-125.9120164.7-59.1-169.6000108.7M269 V288 R290 F291 I295 I301 V302 I303 V304 M323 V331I267-M269 HydrophobicContact CG2-SD 4.07Å; I267-V288 HydrophobicContact CG2-CB 4.34Å; I267-V288 HydrophobicContact CG2-CG1 3.75Å; I267-V288 HydrophobicContact CG2-CG2 3.81Å; I267-R290 CarbonylContact C-O 3.56Å; I267-R290 WeakPolarHBondContact CA-O 3.5Å; I267-F291 HydrophobicContact CB-CB 4.5Å; I267-F291 HydrophobicContact CD1-CB 4.39Å; I267-F291 HydrophobicContact CG1-CB 3.89Å; I267-F291 HydrophobicContact CG2-CB 4.45Å; I267-I295 HydrophobicContact CD1-CD1 4.13Å; I267-I295 HydrophobicContact CG1-CD1 3.9Å; I267-I301 HydrophobicContact CD1-CD1 3.42Å; I267-I301 VanDerWaalsContact CD1-CD1 3.42Å; I267-I301 HydrophobicContact CG1-CD1 3.92Å; I267-V302 PolarHBondContact N-O 2.9Å; I267-I303 HydrophobicContact CB-CD1 3.87Å; I267-I303 HydrophobicContact CG1-CD1 4.47Å; I267-I303 HydrophobicContact CG2-CD1 4.45Å; I267-I303 WeakPolarHBondContact O-CA 3.46Å; I267-V304 PolarHBondContact O-N 3Å; I267-M323 HydrophobicContact CD1-CE 4.47Å; I267-M323 HydrophobicContact CD1-SD 3.99Å; I267-V331 HydrophobicContact CD1-CG1 3.45Å; I267-V331 VanDerWaalsContact CD1-CG1 3.45Å
268I98Very high95.8Very high7 Ų723.8 Ų23.84%0.03613%0.129CC..EExtended strand (participates in β ladder)trans-87122.8177-46.3-53.2000108.6L27 M30 L289 R290 V304 T306L27-I268 HydrophobicContact CD1-CD1 4.24Å; L27-I268 HydrophobicContact CD1-CG1 3.91Å; M30-I268 HydrophobicContact CE-CD1 4.28Å; M30-I268 HydrophobicContact CE-CG1 3.94Å; M30-I268 HydrophobicContact SD-CG1 4.31Å; I268-L289 HydrophobicContact CG2-CB 4.49Å; I268-L289 PolarHBondContact O-N 3.22Å; I268-R290 HydrophobicContact CB-CB 4.11Å; I268-R290 HydrophobicContact CG1-CB 3.92Å; I268-R290 PolarHBondContact N-O 3.11Å; I268-R290 PolarHBondContact O-N 3.35Å; I268-V304 WeakPolarHBondContact CA-O 3.27Å; I268-V304 HydrophobicContact CD1-CB 3.74Å; I268-V304 HydrophobicContact CD1-CG1 4.2Å; I268-V304 HydrophobicContact CD1-CG2 4.28Å; I268-T306 HydrophobicContact CG2-CG2 4.47Å
269M96.5Very high95.7Very high3 Ų327.7 Ų27.72%0.01514%0.144CC..EExtended strand (participates in β ladder)trans-104151.3-179.5-67.4-63.1-68.700111.8I267 D271 A273 I277 I283 G287 V288 I303 V304I267-M269 HydrophobicContact CG2-SD 4.07Å; M269-D271 PolarHBondContact O-N 2.8Å; M269-A273 HydrophobicContact CE-CB 4.07Å; M269-I277 HydrophobicContact CB-CD1 4.41Å; M269-I277 HydrophobicContact CE-CD1 4.03Å; M269-I277 HydrophobicContact CG-CD1 4.05Å; M269-I283 HydrophobicContact CE-CG2 3.92Å; M269-I283 HydrophobicContact SD-CG2 3.67Å; M269-G287 CarbonylContact C-O 3.56Å; M269-G287 WeakPolarHBondContact CA-O 3.45Å; M269-G287 WeakPolarHBondContact CE-O 3.41Å; M269-V288 HydrophobicContact SD-CB 4.31Å; M269-V288 HydrophobicContact SD-CG2 3.65Å; M269-I303 HydrophobicContact CB-CG2 4.3Å; M269-I303 HydrophobicContact CG-CG2 3.37Å; M269-V304 PolarHBondContact N-O 2.86Å
270K94.9Very high95.7Very high47 Ų4729.6 Ų29.620%0.20416%0.164CC..PPolyproline II helixtrans-57133.6165.7-71.3175-177.6166.60110H36 F37 S272 A273 P286 G287 L289H36-K270 WeakPolarHBondContact O-CE 3.44Å; F37-K270 HydrophobicContact CB-CG 4.14Å; K270-S272 PolarHBondContact O-N 2.95Å; K270-S272 VanDerWaalsContact O-N 3.07Å; K270-A273 WeakPolarHBondContact O-CB 2.96Å; K270-A273 PolarHBondContact O-N 3.36Å; K270-P286 PolarHBondContact NZ-O 2.68Å; K270-G287 PolarHBondContact N-O 3.12Å; K270-L289 HydrophobicContact CD-CD2 4.3Å; K270-L289 HydrophobicContact CG-CD1 4.08Å; K270-L289 HydrophobicContact CG-CD2 3.58Å; K270-L289 HydrophobicContact CG-CG 3.71Å
271D92.8Very high95.6Very high2 Ų231.2 Ų31.21%0.01118%0.179CC..Hα-helixtrans-51.6-34.7176.4-70.66.7000112.8V40 M269 A273 V274 T306 K307 Y344V40-D271 HydrophobicContact CB-CB 3.94Å; V40-D271 HydrophobicContact CG2-CB 3.63Å; V40-D271 PolarHBondContact N-OD2 3.22Å; M269-D271 PolarHBondContact O-N 2.8Å; D271-A273 PolarHBondContact O-N 2.92Å; D271-V274 WeakPolarHBondContact O-CB 3.36Å; D271-V274 PolarHBondContact O-N 3.22Å; D271-T306 WeakPolarHBondContact OD1-CB 3.32Å; D271-T306 VanDerWaalsContact OD1-CG2 3.28Å; D271-T306 WeakPolarHBondContact OD1-CG2 3.19Å; D271-T306 PolarHBondContact OD1-OG1 3.39Å; D271-T306 PolarHBondContact OD2-OG1 3.21Å; D271-K307 IonicContact OD2-NZ 3.41Å; D271-K307 PolarHBondContact OD2-NZ 3.01Å; D271-Y344 HydrophobicContact CB-CD1 3.95Å; D271-Y344 HydrophobicContact CB-CE1 3.73Å
272S91Very high95.6Very high57 Ų5737.4 Ų37.440%0.39921%0.206SC..Hα-helixtrans-64.6-22.4177.958.30000114.6K270K270-S272 PolarHBondContact O-N 2.95Å; K270-S272 VanDerWaalsContact O-N 3.07Å
273A93.2Very high95.7Very high22 Ų2234.6 Ų34.618%0.18219%0.189CC..Hα-helixtrans-91-19178.200000112.8M269 K270 D271 N275 A276 I277M269-A273 HydrophobicContact CE-CB 4.07Å; K270-A273 WeakPolarHBondContact O-CB 2.96Å; K270-A273 PolarHBondContact O-N 3.36Å; D271-A273 PolarHBondContact O-N 2.92Å; A273-N275 PolarHBondContact O-N 3.36Å; A273-A276 WeakPolarHBondContact O-CB 3.42Å; A273-A276 PolarHBondContact O-N 3.13Å; A273-A276 VanDerWaalsContact O-N 3.09Å; A273-I277 HydrophobicContact CB-CD1 4.4Å; A273-I277 WeakPolarHBondContact O-CG1 3.14Å; A273-I277 PolarHBondContact O-N 3.27Å
274V95.6Very high95.9Very high0 Ų031.7 Ų31.70%018%0.177CC..Hα-helixtrans-57.3-49.1-169.8174.70000112D271 A276 I277 C278 T305 V311 M339 Y344D271-V274 WeakPolarHBondContact O-CB 3.36Å; D271-V274 PolarHBondContact O-N 3.22Å; V274-A276 VanDerWaalsContact C-N 3.27Å; V274-A276 PolarHBondContact O-N 2.93Å; V274-I277 WeakPolarHBondContact O-CB 3.46Å; V274-I277 PolarHBondContact O-N 2.97Å; V274-I277 VanDerWaalsContact O-N 3.16Å; V274-C278 PolarHBondContact O-N 3.16Å; V274-C278 PolarHBondContact O-SG 2.88Å; V274-C278 VanDerWaalsContact O-SG 3.41Å; V274-T305 HydrophobicContact CG1-CG2 4.03Å; V274-T305 HydrophobicContact CG2-CG2 3.81Å; V274-V311 HydrophobicContact CG1-CG1 4.13Å; V274-V311 HydrophobicContact CG1-CG2 3.92Å; V274-V311 HydrophobicContact CG2-CG2 4.4Å; V274-M339 HydrophobicContact CG1-CE 4.44Å; V274-M339 HydrophobicContact CG1-SD 3.39Å; V274-M339 WeakPolarHBondContact CG1-SD 3.28Å; V274-Y344 HydrophobicContact CB-CD1 4.31Å; V274-Y344 HydrophobicContact CB-CD2 4.13Å; V274-Y344 HydrophobicContact CB-CG 3.92Å; V274-Y344 HydrophobicContact CG1-CD2 3.54Å; V274-Y344 HydrophobicContact CG1-CE2 4.1Å; V274-Y344 HydrophobicContact CG1-CG 3.83Å
275N95.7Very high95.9Very high1 Ų130.2 Ų30.21%0.00517%0.171CC..Hα-helixtrans-60.5-39.2-179.3-170.9-82.7000111.4A273 I277 C278 Y279 D342 Y344 P345 R346 W348A273-N275 PolarHBondContact O-N 3.36Å; N275-I277 VanDerWaalsContact C-N 3.27Å; N275-I277 PolarHBondContact O-N 3.24Å; N275-C278 WeakPolarHBondContact O-CA 3.19Å; N275-C278 WeakPolarHBondContact O-CB 3.42Å; N275-C278 PolarHBondContact O-N 3.07Å; N275-Y279 WeakPolarHBondContact O-CD2 3.27Å; N275-Y279 PolarHBondContact O-N 2.9Å; N275-Y279 VanDerWaalsContact O-N 3.15Å; N275-Y279 WeakPolarHBondContact OD1-CD2 3.41Å; N275-Y279 WeakPolarHBondContact OD1-CE2 3.18Å; N275-D342 WeakPolarHBondContact ND2-CA 3.43Å; N275-D342 PolarHBondContact ND2-N 3.07Å; N275-D342 PolarHBondContact ND2-OD1 3.13Å; N275-Y344 WeakPolarHBondContact CB-O 3.14Å; N275-Y344 PolarHBondContact ND2-O 2.71Å; N275-P345 WeakPolarHBondContact CB-O 3.37Å; N275-R346 WeakPolarHBondContact OD1-CG 3.47Å; N275-W348 HydrophobicContact CB-CZ3 4.09Å; N275-W348 WeakPolarHBondContact OD1-CH2 3.5Å; N275-W348 WeakPolarHBondContact OD1-CZ3 3.45Å
276A95.3Very high95.6Very high23 Ų2331 Ų3119%0.1918%0.182CC..Hα-helixtrans-62.4-40-179.200000111.1A273 V274 C278 Y279 G280 A281 W348A273-A276 WeakPolarHBondContact O-CB 3.42Å; A273-A276 PolarHBondContact O-N 3.13Å; A273-A276 VanDerWaalsContact O-N 3.09Å; V274-A276 VanDerWaalsContact C-N 3.27Å; V274-A276 PolarHBondContact O-N 2.93Å; A276-C278 VanDerWaalsContact C-N 3.34Å; A276-Y279 CarbonylContact O-C 3.49Å; A276-Y279 WeakPolarHBondContact O-CA 3.49Å; A276-Y279 PolarHBondContact O-N 3.45Å; A276-Y279 VanDerWaalsContact O-N 3.07Å; A276-G280 PolarHBondContact O-N 3.04Å; A276-A281 VanDerWaalsContact C-CB 3.5Å; A276-A281 HydrophobicContact CB-CB 3.84Å; A276-A281 WeakPolarHBondContact O-CB 3.47Å; A276-A281 PolarHBondContact O-N 3.09Å; A276-W348 HydrophobicContact CB-CE3 3.71Å; A276-W348 HydrophobicContact CB-CZ3 3.87Å
277I97.1Very high95.3Very high3 Ų331 Ų312%0.01519%0.185CC..Hα-helixtrans-63.9-41175.8-59.8164.3000110M269 A273 V274 N275 Y279 G280 I283 I303 V311 C312 I334M269-I277 HydrophobicContact CB-CD1 4.41Å; M269-I277 HydrophobicContact CE-CD1 4.03Å; M269-I277 HydrophobicContact CG-CD1 4.05Å; A273-I277 HydrophobicContact CB-CD1 4.4Å; A273-I277 WeakPolarHBondContact O-CG1 3.14Å; A273-I277 PolarHBondContact O-N 3.27Å; V274-I277 WeakPolarHBondContact O-CB 3.46Å; V274-I277 PolarHBondContact O-N 2.97Å; V274-I277 VanDerWaalsContact O-N 3.16Å; N275-I277 VanDerWaalsContact C-N 3.27Å; N275-I277 PolarHBondContact O-N 3.24Å; I277-Y279 PolarHBondContact O-N 3.33Å; I277-Y279 VanDerWaalsContact O-N 3.16Å; I277-G280 PolarHBondContact O-N 3.28Å; I277-I283 HydrophobicContact CB-CD1 4.35Å; I277-I283 HydrophobicContact CD1-CD1 3.73Å; I277-I283 HydrophobicContact CG1-CD1 3.72Å; I277-I283 HydrophobicContact CG2-CD1 3.67Å; I277-I303 HydrophobicContact CD1-CG2 4.21Å; I277-V311 HydrophobicContact CB-CG1 4.07Å; I277-V311 HydrophobicContact CG2-CG1 3.68Å; I277-C312 HydrophobicContact CG2-CB 4.42Å; I277-C312 VanDerWaalsContact CG2-SG 3.58Å; I277-I334 HydrophobicContact CG2-CD1 3.94Å; I277-I334 HydrophobicContact CG2-CG1 4.33Å; I277-I334 WeakPolarHBondContact O-CD1 3.46Å
278C96.7Very high95.3Very high4 Ų431 Ų313%0.02719%0.185CC..Hα-helixtrans-61.2-22.9173.8-63.30000113.6V274 N275 A276 V337 E340 R341V274-C278 PolarHBondContact O-N 3.16Å; V274-C278 PolarHBondContact O-SG 2.88Å; V274-C278 VanDerWaalsContact O-SG 3.41Å; N275-C278 WeakPolarHBondContact O-CA 3.19Å; N275-C278 WeakPolarHBondContact O-CB 3.42Å; N275-C278 PolarHBondContact O-N 3.07Å; A276-C278 VanDerWaalsContact C-N 3.34Å; C278-V337 HydrophobicContact CB-CG1 4.33Å; C278-E340 PolarHBondContact SG-O 2.78Å; C278-R341 HydrophobicContact CB-CG 4.15Å; C278-R341 PolarHBondContact O-NE 3.38Å
279Y96.1Very high95.2Very high83 Ų8331 Ų3133%0.32519%0.185SC..THydrogen-bonded Turntrans-92.82.2173.4-82.4-91.8000114.4N275 A276 I277 R341 D342 R346 W348N275-Y279 WeakPolarHBondContact O-CD2 3.27Å; N275-Y279 PolarHBondContact O-N 2.9Å; N275-Y279 VanDerWaalsContact O-N 3.15Å; N275-Y279 WeakPolarHBondContact OD1-CD2 3.41Å; N275-Y279 WeakPolarHBondContact OD1-CE2 3.18Å; A276-Y279 CarbonylContact O-C 3.49Å; A276-Y279 WeakPolarHBondContact O-CA 3.49Å; A276-Y279 PolarHBondContact O-N 3.45Å; A276-Y279 VanDerWaalsContact O-N 3.07Å; I277-Y279 PolarHBondContact O-N 3.33Å; I277-Y279 VanDerWaalsContact O-N 3.16Å; Y279-R341 HydrophobicContact CD2-CB 4.41Å; Y279-R341 HydrophobicContact CD2-CG 4.01Å; Y279-R341 HydrophobicContact CE1-CG 4.39Å; Y279-R341 HydrophobicContact CE2-CB 3.7Å; Y279-R341 HydrophobicContact CE2-CG 3.74Å; Y279-R341 HydrophobicContact CG-CG 4.49Å; Y279-D342 PolarHBondContact OH-OD2 2.96Å; Y279-R346 PolarHBondContact OH-NH2 3.06Å; Y279-W348 AromaticContact CD2-CH2 3.45Å; Y279-W348 HydrophobicContact CD2-CH2 3.45Å; Y279-W348 VanDerWaalsContact CD2-CH2 3.45Å; Y279-W348 HydrophobicContact CD2-CZ2 4.42Å; Y279-W348 HydrophobicContact CD2-CZ3 4.19Å; Y279-W348 AromaticContact CE2-CH2 3.89Å; Y279-W348 HydrophobicContact CE2-CH2 3.89Å; Y279-W348 AromaticContact CG-CH2 3.86Å; Y279-W348 HydrophobicContact CG-CH2 3.86Å
280G94.9Very high95.2Very high47 Ų4733.3 Ų33.349%0.48519%0.194SC..THydrogen-bonded Turntrans100.59175.500000114.8A276 I277 I334A276-G280 PolarHBondContact O-N 3.04Å; I277-G280 PolarHBondContact O-N 3.28Å; G280-I334 VanDerWaalsContact C-CD1 3.48Å; G280-I334 VanDerWaalsContact CA-CD1 3.5Å
281A95.1Very high95.3Very high39 Ų3931.1 Ų31.132%0.32218%0.184SC..  trans-62.8140.917500000111.4A276 I334A276-A281 VanDerWaalsContact C-CB 3.5Å; A276-A281 HydrophobicContact CB-CB 3.84Å; A276-A281 WeakPolarHBondContact O-CB 3.47Å; A276-A281 PolarHBondContact O-N 3.09Å; A281-I334 WeakPolarHBondContact O-CD1 3.34Å
282K96.5Very high95.5Very high130 Ų13032.8 Ų32.857%0.56519%0.192SC*.  trans-62.4154.8172.8-62.6176-179.1173.40110.3L284 V330K282-L284 PolarHBondContact O-N 3.35Å; K282-V330 HydrophobicContact CB-CG1 3.87Å; K282-V330 HydrophobicContact CD-CG1 3.97Å; K282-V330 HydrophobicContact CD-CG2 4.08Å; K282-V330 HydrophobicContact CG-CG1 4.37Å
283I97.6Very high95.8Very high0 Ų033.4 Ų33.40%019%0.191CC..EExtended strand (participates in β ladder)trans-79.4110.4176.4-47.8-52.3000107.6M269 I277 I303 A314 V330 V331 A332M269-I283 HydrophobicContact CE-CG2 3.92Å; M269-I283 HydrophobicContact SD-CG2 3.67Å; I277-I283 HydrophobicContact CB-CD1 4.35Å; I277-I283 HydrophobicContact CD1-CD1 3.73Å; I277-I283 HydrophobicContact CG1-CD1 3.72Å; I277-I283 HydrophobicContact CG2-CD1 3.67Å; I283-I303 HydrophobicContact CD1-CD1 4.3Å; I283-I303 HydrophobicContact CD1-CG1 3.89Å; I283-I303 HydrophobicContact CD1-CG2 4.3Å; I283-I303 HydrophobicContact CG1-CD1 3.94Å; I283-I303 HydrophobicContact CG1-CG1 3.98Å; I283-I303 HydrophobicContact CG2-CD1 4.17Å; I283-A314 HydrophobicContact CG1-CB 4.46Å; I283-V330 CarbonylContact O-C 3.59Å; I283-V331 HydrophobicContact CB-CB 4.46Å; I283-V331 HydrophobicContact CG2-CB 4.19Å; I283-V331 HydrophobicContact CG2-CG1 4.46Å; I283-V331 PolarHBondContact O-N 3.29Å; I283-A332 HydrophobicContact CB-CB 3.99Å; I283-A332 HydrophobicContact CG1-CB 3.92Å; I283-A332 PolarHBondContact N-O 3.41Å; I283-A332 PolarHBondContact O-N 2.98Å
284L96.2Very high95.9Very high93 Ų9337.2 Ų37.249%0.48721%0.208SC..EExtended strand (participates in β ladder)trans-99.4140.6-179.2-60.2-178.4000110.7K282 P286 G287 V330K282-L284 PolarHBondContact O-N 3.35Å; L284-P286 VanDerWaalsContact C-CD 3.45Å; L284-G287 PolarHBondContact O-N 2.91Å; L284-V330 HydrophobicContact CD2-CB 4.49Å; L284-V330 HydrophobicContact CD2-CG2 3.85Å
285L95.4Very high96Very high0 Ų037.2 Ų37.20%021%0.208CC..G310 helixtrans-55.9-38.5-175.2-169.260.6000114.6R33 G287 V288 M318 M323 C326 G329 V331R33-L285 VanDerWaalsContact CZ-CG 3.4Å; L285-G287 PolarHBondContact O-N 3.43Å; L285-G287 VanDerWaalsContact O-N 3.13Å; L285-V288 HydrophobicContact CD1-CG2 4.47Å; L285-V288 WeakPolarHBondContact O-CB 3.4Å; L285-V288 PolarHBondContact O-N 2.93Å; L285-M318 HydrophobicContact CD2-SD 4.44Å; L285-M323 HydrophobicContact CD1-CB 4.34Å; L285-M323 HydrophobicContact CD1-CG 4.22Å; L285-C326 HydrophobicContact CD2-CB 3.88Å; L285-C326 WeakPolarHBondContact CD2-O 3.43Å; L285-G329 PolarHBondContact N-O 3.39Å; L285-V331 HydrophobicContact CB-CG2 3.7Å; L285-V331 HydrophobicContact CD1-CG2 3.49Å; L285-V331 VanDerWaalsContact CD1-CG2 3.49Å; L285-V331 HydrophobicContact CG-CG2 4.16Å
286P91.7Very high96.1Very high78 Ų7842.6 Ų42.651%0.50623%0.234SC..G310 helixtrans-63.1-19.5176.7-25.536.5000115.1K270 L284K270-P286 PolarHBondContact NZ-O 2.68Å; L284-P286 VanDerWaalsContact C-CD 3.45Å
287G93.5Very high96.2Very high11 Ų1146 Ų4611%0.11325%0.248CC..G310 helixtrans-84.5-11.8176.600000113.9M269 K270 L284 L285M269-G287 CarbonylContact C-O 3.56Å; M269-G287 WeakPolarHBondContact CA-O 3.45Å; M269-G287 WeakPolarHBondContact CE-O 3.41Å; K270-G287 PolarHBondContact N-O 3.12Å; L284-G287 PolarHBondContact O-N 2.91Å; L285-G287 PolarHBondContact O-N 3.43Å; L285-G287 VanDerWaalsContact O-N 3.13Å
288V96.8Very high96.3Very high1 Ų150.7 Ų50.71%0.00627%0.273CS..EExtended strand (participates in β ladder)trans-79.5132.5-177.7178.30000110.4I267 M269 L285 F291 V331I267-V288 HydrophobicContact CG2-CB 4.34Å; I267-V288 HydrophobicContact CG2-CG1 3.75Å; I267-V288 HydrophobicContact CG2-CG2 3.81Å; M269-V288 HydrophobicContact SD-CB 4.31Å; M269-V288 HydrophobicContact SD-CG2 3.65Å; L285-V288 HydrophobicContact CD1-CG2 4.47Å; L285-V288 WeakPolarHBondContact O-CB 3.4Å; L285-V288 PolarHBondContact O-N 2.93Å; V288-F291 HydrophobicContact CG1-CB 4.47Å; V288-F291 HydrophobicContact CG1-CD1 3.85Å; V288-V331 HydrophobicContact CG2-CG2 4.12Å
289L96.3Very high96.3Very high6 Ų652.3 Ų52.33%0.03128%0.284CS..EExtended strand (participates in β ladder)trans-99.7-50.8172.2-66.9174.1000111.3R33 S34 F37 I268 K270 T306R33-L289 PolarHBondContact N-O 2.84Å; S34-L289 PolarHBondContact N-O 3.27Å; S34-L289 VanDerWaalsContact N-O 3.16Å; S34-L289 WeakPolarHBondContact O-CD2 3.49Å; F37-L289 HydrophobicContact CB-CD1 4.15Å; F37-L289 HydrophobicContact CB-CD2 3.98Å; F37-L289 HydrophobicContact CD1-CD1 3.86Å; F37-L289 HydrophobicContact CD1-CD2 4.11Å; F37-L289 HydrophobicContact CD2-CD1 4.39Å; F37-L289 HydrophobicContact CE1-CD1 4.37Å; F37-L289 HydrophobicContact CG-CD1 3.89Å; F37-L289 HydrophobicContact CG-CD2 4.33Å; I268-L289 HydrophobicContact CG2-CB 4.49Å; I268-L289 PolarHBondContact O-N 3.22Å; K270-L289 HydrophobicContact CD-CD2 4.3Å; K270-L289 HydrophobicContact CG-CD1 4.08Å; K270-L289 HydrophobicContact CG-CD2 3.58Å; K270-L289 HydrophobicContact CG-CG 3.71Å; L289-T306 HydrophobicContact CD1-CG2 3.63Å
290R96.9Very high96.3Very high52 Ų5251 Ų5120%0.19628%0.281CS..EExtended strand (participates in β ladder)trans-140.9152.7-179.7-63.2-174.9174.1-133.5-6.2110.5L27 M30 H31 N35 I267 I268L27-R290 PolarHBondContact O-NH1 2.68Å; M30-R290 HydrophobicContact CB-CB 4.26Å; M30-R290 HydrophobicContact CE-CB 4.2Å; H31-R290 WeakPolarHBondContact O-CA 3.42Å; H31-R290 WeakPolarHBondContact O-CB 3.49Å; N35-R290 PolarHBondContact OD1-NH2 2.89Å; I267-R290 CarbonylContact C-O 3.56Å; I267-R290 WeakPolarHBondContact CA-O 3.5Å; I268-R290 HydrophobicContact CB-CB 4.11Å; I268-R290 HydrophobicContact CG1-CB 3.92Å; I268-R290 PolarHBondContact N-O 3.11Å; I268-R290 PolarHBondContact O-N 3.35Å
291F97.5Very high96.5Very high1 Ų148.8 Ų48.80%0.00426%0.258CS..EExtended strand (participates in β ladder)trans-146.1150.7173.656.5-87.1000110.5M30 H31 R33 R266 I267 V288 I295 T320 M323 L324M30-F291 VanDerWaalsContact CE-C 3.41Å; H31-F291 HydrophobicContact CB-CD1 4.41Å; H31-F291 HydrophobicContact CB-CD2 4.03Å; H31-F291 HydrophobicContact CB-CE1 4.08Å; H31-F291 HydrophobicContact CB-CE2 3.66Å; H31-F291 HydrophobicContact CB-CG 4.4Å; H31-F291 HydrophobicContact CB-CZ 3.7Å; H31-F291 AromaticContact CD2-CE2 3.81Å; H31-F291 AromaticContact CG-CE2 3.94Å; H31-F291 PolarHBondContact N-O 2.89Å; H31-F291 PolarHBondContact O-N 2.92Å; H31-F291 VanDerWaalsContact O-N 3.17Å; R33-F291 HydrophobicContact CB-CE1 4.15Å; R266-F291 WeakPolarHBondContact O-CA 3.45Å; I267-F291 HydrophobicContact CB-CB 4.5Å; I267-F291 HydrophobicContact CD1-CB 4.39Å; I267-F291 HydrophobicContact CG1-CB 3.89Å; I267-F291 HydrophobicContact CG2-CB 4.45Å; V288-F291 HydrophobicContact CG1-CB 4.47Å; V288-F291 HydrophobicContact CG1-CD1 3.85Å; F291-I295 HydrophobicContact CB-CD1 4.19Å; F291-T320 HydrophobicContact CD2-CG2 4.34Å; F291-T320 HydrophobicContact CE2-CG2 3.75Å; F291-M323 HydrophobicContact CB-CE 4.41Å; F291-M323 HydrophobicContact CB-SD 4.48Å; F291-M323 HydrophobicContact CD2-CB 4.41Å; F291-M323 HydrophobicContact CD2-CE 3.68Å; F291-M323 HydrophobicContact CD2-SD 4.27Å; F291-M323 HydrophobicContact CE1-CB 4.08Å; F291-M323 HydrophobicContact CE2-CB 3.91Å; F291-M323 HydrophobicContact CE2-CE 4.13Å; F291-M323 HydrophobicContact CG-CE 4.11Å; F291-M323 HydrophobicContact CG-SD 4.18Å; F291-M323 HydrophobicContact CZ-CB 3.71Å; F291-L324 HydrophobicContact CE2-CD2 4.38Å; F291-L324 HydrophobicContact CE2-CG 4.25Å; F291-L324 HydrophobicContact CZ-CD2 3.73Å; F291-L324 HydrophobicContact CZ-CG 3.87Å
292E96.8Very high96.7Very high37 Ų3747 Ų4717%0.17324%0.243CC..  trans-76.9155.8-178.8-160.9157.3-168.300111M30 K265 R266 I295M30-E292 HydrophobicContact CE-CB 4.19Å; K265-E292 VanDerWaalsContact CA-OE2 3.25Å; K265-E292 WeakPolarHBondContact CA-OE2 3.4Å; K265-E292 HydrophobicContact CB-CB 4.34Å; K265-E292 HydrophobicContact CD-CB 4.2Å; K265-E292 HydrophobicContact CD-CG 3.76Å; R266-E292 IonicContact CZ-OE1 3.52Å; R266-E292 IonicContact CZ-OE2 2.72Å; R266-E292 PolarHBondContact N-OE2 3.01Å; R266-E292 IonicContact NE-OE1 3.59Å; R266-E292 IonicContact NE-OE2 3.64Å; R266-E292 PolarHBondContact NE-OE2 3.01Å; R266-E292 VanDerWaalsContact NH2-CD 3.26Å; R266-E292 IonicContact NH2-OE1 2.86Å; R266-E292 PolarHBondContact NH2-OE1 2.71Å; R266-E292 IonicContact NH2-OE2 3.53Å; R266-E292 PolarHBondContact NH2-OE2 2.78Å; R266-E292 PolarHBondContact O-N 3.09Å; E292-I295 HydrophobicContact CB-CD1 4.48Å; E292-I295 VanDerWaalsContact O-CD1 3.27Å; E292-I295 WeakPolarHBondContact O-CD1 2.87Å; E292-I295 WeakPolarHBondContact O-CG1 2.86Å
293D96.3Very high96.8Very high71 Ų7140.8 Ų40.838%0.3822%0.216SC..SBendtrans-74.8164.8176.1-153.310.7000112.1H31 K265 I295 T320H31-D293 IonicContact CD2-OD1 3.74Å; H31-D293 VanDerWaalsContact NE2-CG 3.31Å; H31-D293 IonicContact NE2-OD1 3.55Å; H31-D293 PolarHBondContact NE2-OD1 2.6Å; H31-D293 VanDerWaalsContact NE2-OD1 3.13Å; H31-D293 IonicContact NE2-OD2 2.92Å; K265-D293 WeakPolarHBondContact CD-O 3.39Å; K265-D293 WeakPolarHBondContact CE-O 3.36Å; K265-D293 PolarHBondContact NZ-O 3.16Å; D293-I295 VanDerWaalsContact C-N 3.3Å; D293-I295 PolarHBondContact O-N 3.17Å; D293-T320 WeakPolarHBondContact OD1-CG2 3.32Å
294D96.3Very high96.8Very high102 Ų10240.8 Ų40.855%0.54522%0.216SC..  trans56.436.3-178.4-43.3-54000114.5K265 E296 T320K265-D294 IonicContact NZ-OD2 3.58Å; D294-E296 PolarHBondContact O-N 3.28Å; D294-T320 PolarHBondContact N-OG1 2.94Å
295I98Very high96.9Very high0 Ų036.3 Ų36.30%019%0.193CC..  trans-78.2113.2168.6-67.9172.6000107.7K265 I267 F291 E292 D293 I301 A316 T319 T320 M323K265-I295 HydrophobicContact CB-CD1 4.37Å; K265-I295 HydrophobicContact CB-CG1 3.83Å; K265-I295 HydrophobicContact CG-CG1 4.37Å; I267-I295 HydrophobicContact CD1-CD1 4.13Å; I267-I295 HydrophobicContact CG1-CD1 3.9Å; F291-I295 HydrophobicContact CB-CD1 4.19Å; E292-I295 HydrophobicContact CB-CD1 4.48Å; E292-I295 VanDerWaalsContact O-CD1 3.27Å; E292-I295 WeakPolarHBondContact O-CD1 2.87Å; E292-I295 WeakPolarHBondContact O-CG1 2.86Å; D293-I295 VanDerWaalsContact C-N 3.3Å; D293-I295 PolarHBondContact O-N 3.17Å; I295-I301 HydrophobicContact CG1-CG2 4.43Å; I295-I301 HydrophobicContact CG2-CG2 4.15Å; I295-A316 HydrophobicContact CG2-CB 3.71Å; I295-T319 CarbonylContact O-C 3.54Å; I295-T319 WeakPolarHBondContact O-CA 3.15Å; I295-T320 PolarHBondContact N-OG1 3.41Å; I295-T320 PolarHBondContact O-N 3.17Å; I295-M323 HydrophobicContact CB-CE 3.93Å; I295-M323 HydrophobicContact CD1-CE 3.84Å; I295-M323 HydrophobicContact CG1-CE 4.46Å; I295-M323 HydrophobicContact CG2-CE 3.93Å
296E97.8Very high96.8Very high114 Ų11438 Ų3853%0.53320%0.203SC..  trans-98.2156.1179.4-69.8-56.6146.900112.6D294 N298 S299 A316D294-E296 PolarHBondContact O-N 3.28Å; E296-N298 PolarHBondContact O-N 3.21Å; E296-S299 VanDerWaalsContact O-CB 3.27Å; E296-S299 WeakPolarHBondContact O-CB 3.35Å; E296-S299 PolarHBondContact O-N 3.11Å; E296-S299 VanDerWaalsContact O-N 3.16Å; E296-S299 PolarHBondContact O-OG 3.33Å; E296-A316 WeakPolarHBondContact O-CB 3.5Å
297L97.8Very high97Very high94 Ų9436.5 Ų36.549%0.49219%0.189SC..THydrogen-bonded Turntrans-60.9137178.4-170.569.3000111S299 L317 T319L297-S299 PolarHBondContact O-N 3.18Å; L297-S299 VanDerWaalsContact O-N 3.14Å; L297-L317 VanDerWaalsContact CD1-C 3.41Å; L297-L317 WeakPolarHBondContact CD1-O 3.38Å; L297-T319 HydrophobicContact CB-CG2 4.31Å
298N97.9Very high97.1Very high102 Ų10236 Ų3655%0.54518%0.184SC..THydrogen-bonded Turntrans63.94.2-177-57.7-57.6000115.9E296 I315 A316E296-N298 PolarHBondContact O-N 3.21Å; N298-I315 HydrophobicContact CB-CG2 4.33Å; N298-A316 WeakPolarHBondContact CA-O 3.38Å; N298-A316 PolarHBondContact N-O 2.9Å
299S97.2Very high97.1Very high37 Ų3736 Ų3626%0.25918%0.184SC..  trans-66.5152.8170.868.40000111.4E296 L297 I315 A316E296-S299 VanDerWaalsContact O-CB 3.27Å; E296-S299 WeakPolarHBondContact O-CB 3.35Å; E296-S299 PolarHBondContact O-N 3.11Å; E296-S299 VanDerWaalsContact O-N 3.16Å; E296-S299 PolarHBondContact O-OG 3.33Å; L297-S299 PolarHBondContact O-N 3.18Å; L297-S299 VanDerWaalsContact O-N 3.14Å; S299-I315 WeakPolarHBondContact O-CA 3.34Å; S299-A316 PolarHBondContact O-N 2.85Å
300E96.8Very high97.2Very high57 Ų5735.9 Ų35.927%0.26618%0.184SC..EExtended strand (participates in β ladder)trans-87.6126.6175-173.4170.3-163.600110.3L313 A314 I315 K335E300-L313 HydrophobicContact CG-CD2 4.32Å; E300-A314 WeakPolarHBondContact CA-O 3.12Å; E300-I315 HydrophobicContact CB-CD1 4.16Å; E300-I315 HydrophobicContact CG-CD1 4.43Å; E300-K335 HydrophobicContact CG-CD 4.31Å; E300-K335 VanDerWaalsContact OE1-CD 3.23Å; E300-K335 WeakPolarHBondContact OE1-CD 3.3Å; E300-K335 WeakPolarHBondContact OE1-CE 3.28Å; E300-K335 IonicContact OE1-NZ 3.25Å; E300-K335 PolarHBondContact OE1-NZ 3.25Å; E300-K335 IonicContact OE2-NZ 3.79Å; E300-K335 PolarHBondContact OE2-NZ 2.75Å
301I98.1Very high97.3Very high0 Ų033.4 Ų33.40%017%0.174CC..EExtended strand (participates in β ladder)trans-127.5161.5-176.563168.6000110.4K265 I267 I295 I303 L313 A314 A316 A332K265-I301 HydrophobicContact CB-CG2 4.1Å; K265-I301 CarbonylContact O-C 3.58Å; K265-I301 WeakPolarHBondContact O-CA 3.48Å; K265-I301 WeakPolarHBondContact O-CB 3.41Å; I267-I301 HydrophobicContact CD1-CD1 3.42Å; I267-I301 VanDerWaalsContact CD1-CD1 3.42Å; I267-I301 HydrophobicContact CG1-CD1 3.92Å; I295-I301 HydrophobicContact CG1-CG2 4.43Å; I295-I301 HydrophobicContact CG2-CG2 4.15Å; I301-I303 HydrophobicContact CD1-CD1 4.02Å; I301-I303 HydrophobicContact CG1-CD1 4.44Å; I301-L313 WeakPolarHBondContact O-CA 3.36Å; I301-A314 HydrophobicContact CG1-CB 4.04Å; I301-A314 PolarHBondContact N-O 3.24Å; I301-A314 PolarHBondContact O-N 3.12Å; I301-A316 HydrophobicContact CD1-CB 4.38Å; I301-A316 HydrophobicContact CG2-CB 4.35Å; I301-A332 HydrophobicContact CD1-CB 3.9Å
302V98.5Very high97.3Very high0 Ų033.4 Ų33.40%017%0.174CC..EExtended strand (participates in β ladder)trans-109.1132.5173.965.30000110.6L23 L261 H264 K265 R266 I267 V304 A310 L313L23-V302 HydrophobicContact CD1-CG2 4.21Å; L23-V302 HydrophobicContact CD2-CG1 4.14Å; L261-V302 HydrophobicContact CB-CG2 4.45Å; L261-V302 HydrophobicContact CD1-CG2 3.93Å; H264-V302 HydrophobicContact CB-CB 3.96Å; H264-V302 HydrophobicContact CB-CG1 3.78Å; K265-V302 PolarHBondContact O-N 2.91Å; R266-V302 WeakPolarHBondContact CA-O 3.39Å; R266-V302 HydrophobicContact CB-CG1 4.28Å; R266-V302 HydrophobicContact CG-CG1 3.48Å; R266-V302 VanDerWaalsContact CG-CG1 3.48Å; I267-V302 PolarHBondContact N-O 2.9Å; V302-V304 HydrophobicContact CG1-CG2 3.99Å; V302-V304 HydrophobicContact CG2-CG2 4.19Å; V302-A310 HydrophobicContact CG2-CB 4.15Å; V302-L313 HydrophobicContact CB-CD2 4.4Å
303I98.6Very high97.4Very high0 Ų031.8 Ų31.80%017%0.167CC..EExtended strand (participates in β ladder)trans-94.7128.2174.1-52.9-54.7000108.5I267 M269 I277 I283 I301 V311 C312 A314I267-I303 HydrophobicContact CB-CD1 3.87Å; I267-I303 HydrophobicContact CG1-CD1 4.47Å; I267-I303 HydrophobicContact CG2-CD1 4.45Å; I267-I303 WeakPolarHBondContact O-CA 3.46Å; M269-I303 HydrophobicContact CB-CG2 4.3Å; M269-I303 HydrophobicContact CG-CG2 3.37Å; I277-I303 HydrophobicContact CD1-CG2 4.21Å; I283-I303 HydrophobicContact CD1-CD1 4.3Å; I283-I303 HydrophobicContact CD1-CG1 3.89Å; I283-I303 HydrophobicContact CD1-CG2 4.3Å; I283-I303 HydrophobicContact CG1-CD1 3.94Å; I283-I303 HydrophobicContact CG1-CG1 3.98Å; I283-I303 HydrophobicContact CG2-CD1 4.17Å; I301-I303 HydrophobicContact CD1-CD1 4.02Å; I301-I303 HydrophobicContact CG1-CD1 4.44Å; I303-V311 HydrophobicContact CB-CB 4.38Å; I303-V311 HydrophobicContact CG2-CB 4.24Å; I303-V311 WeakPolarHBondContact O-CB 3.25Å; I303-V311 PolarHBondContact O-N 3.15Å; I303-C312 VanDerWaalsContact CG1-SG 3.51Å; I303-C312 PolarHBondContact N-O 3Å; I303-A314 HydrophobicContact CD1-CB 4.18Å; I303-A314 HydrophobicContact CG1-CB 3.92Å
304V98.5Very high97.5Very high0 Ų028.4 Ų28.40%015%0.149CC..EExtended strand (participates in β ladder)trans-127145.1-168.9-164.20000110.3L23 R266 I267 I268 M269 V302 G308 E309L23-V304 HydrophobicContact CB-CG1 3.99Å; L23-V304 HydrophobicContact CB-CG2 4.27Å; L23-V304 HydrophobicContact CD1-CG1 4.12Å; L23-V304 HydrophobicContact CD1-CG2 3.9Å; R266-V304 HydrophobicContact CB-CG2 4.27Å; R266-V304 HydrophobicContact CG-CG2 4.16Å; I267-V304 PolarHBondContact O-N 3Å; I268-V304 WeakPolarHBondContact CA-O 3.27Å; I268-V304 HydrophobicContact CD1-CB 3.74Å; I268-V304 HydrophobicContact CD1-CG1 4.2Å; I268-V304 HydrophobicContact CD1-CG2 4.28Å; M269-V304 PolarHBondContact N-O 2.86Å; V302-V304 HydrophobicContact CG1-CG2 3.99Å; V302-V304 HydrophobicContact CG2-CG2 4.19Å; V304-G308 VanDerWaalsContact CG1-C 3.41Å; V304-E309 CarbonylContact C-O 3.6Å; V304-E309 VanDerWaalsContact CA-O 3.27Å; V304-E309 WeakPolarHBondContact CA-O 3.45Å; V304-E309 WeakPolarHBondContact CG1-O 3.39Å
305T97.4Very high97.6Very high0 Ų025 Ų250%013%0.13CC..  trans-75.8171.7170.169.60000111.3V274 K307 G308 E309 V311 M339 Y344V274-T305 HydrophobicContact CG1-CG2 4.03Å; V274-T305 HydrophobicContact CG2-CG2 3.81Å; T305-K307 PolarHBondContact O-N 2.86Å; T305-K307 PolarHBondContact OG1-N 3.36Å; T305-G308 PolarHBondContact O-N 3.33Å; T305-E309 HydrophobicContact CG2-CB 4.03Å; T305-E309 PolarHBondContact N-O 3.12Å; T305-E309 WeakPolarHBondContact OG1-CB 3.38Å; T305-E309 PolarHBondContact OG1-N 2.93Å; T305-E309 VanDerWaalsContact OG1-N 3.17Å; T305-E309 PolarHBondContact OG1-OE2 3.44Å; T305-V311 HydrophobicContact CG2-CG2 3.45Å; T305-V311 VanDerWaalsContact CG2-CG2 3.45Å; T305-M339 HydrophobicContact CG2-CE 3.65Å; T305-M339 HydrophobicContact CG2-SD 4.42Å; T305-Y344 HydrophobicContact CG2-CE2 3.85Å
306T94.5Very high97.6Very high36 Ų3625 Ų2522%0.22113%0.13CC..THydrogen-bonded Turntrans-63.3-19.1172.558.20000113.5F37 I268 D271 L289F37-T306 HydrophobicContact CD2-CG2 4Å; F37-T306 HydrophobicContact CE2-CG2 3.64Å; F37-T306 HydrophobicContact CZ-CG2 4.04Å; I268-T306 HydrophobicContact CG2-CG2 4.47Å; D271-T306 WeakPolarHBondContact OD1-CB 3.32Å; D271-T306 VanDerWaalsContact OD1-CG2 3.28Å; D271-T306 WeakPolarHBondContact OD1-CG2 3.19Å; D271-T306 PolarHBondContact OD1-OG1 3.39Å; D271-T306 PolarHBondContact OD2-OG1 3.21Å; L289-T306 HydrophobicContact CD1-CG2 3.63Å
307K94.9Very high97.6Very high45 Ų4522.5 Ų22.520%0.19612%0.12CC..THydrogen-bonded Turntrans-94.61.9179.2-54.3-176-177.372.60113.4V40 A42 P46 D271 T305 E309 Y344V40-K307 PolarHBondContact O-NZ 3.42Å; A42-K307 WeakPolarHBondContact O-CE 3.43Å; A42-K307 PolarHBondContact O-NZ 3.23Å; P46-K307 WeakPolarHBondContact CD-O 3.24Å; D271-K307 IonicContact OD2-NZ 3.41Å; D271-K307 PolarHBondContact OD2-NZ 3.01Å; T305-K307 PolarHBondContact O-N 2.86Å; T305-K307 PolarHBondContact OG1-N 3.36Å; K307-E309 HydrophobicContact CB-CG 4.49Å; K307-Y344 PolarHBondContact NZ-OH 2.65Å
308G96Very high97.6Very high2 Ų219.2 Ų19.22%0.02110%0.103CC..SBendtrans88.78.8178.100000115.2P46 E258 V304 T305P46-G308 WeakPolarHBondContact CG-O 3.4Å; E258-G308 WeakPolarHBondContact CG-O 2.98Å; V304-G308 VanDerWaalsContact CG1-C 3.41Å; T305-G308 PolarHBondContact O-N 3.33Å
309E97.8Very high97.6Very high1 Ų116 Ų161%0.0059%0.087CC..  trans-79.6136.6-179.2-55157.5106.100110.8G43 C44 P46 V304 T305 K307 V311 M339 Y344G43-E309 WeakPolarHBondContact CA-OE1 3.41Å; C44-E309 PolarHBondContact N-OE1 3.42Å; C44-E309 VanDerWaalsContact N-OE1 3.12Å; C44-E309 WeakPolarHBondContact O-CG 3.46Å; P46-E309 HydrophobicContact CG-CG 4.39Å; V304-E309 CarbonylContact C-O 3.6Å; V304-E309 VanDerWaalsContact CA-O 3.27Å; V304-E309 WeakPolarHBondContact CA-O 3.45Å; V304-E309 WeakPolarHBondContact CG1-O 3.39Å; T305-E309 HydrophobicContact CG2-CB 4.03Å; T305-E309 PolarHBondContact N-O 3.12Å; T305-E309 WeakPolarHBondContact OG1-CB 3.38Å; T305-E309 PolarHBondContact OG1-N 2.93Å; T305-E309 VanDerWaalsContact OG1-N 3.17Å; T305-E309 PolarHBondContact OG1-OE2 3.44Å; K307-E309 HydrophobicContact CB-CG 4.49Å; E309-V311 PolarHBondContact O-N 3.02Å; E309-M339 HydrophobicContact CB-CE 3.5Å; E309-M339 VanDerWaalsContact CB-CE 3.5Å; E309-M339 HydrophobicContact CG-CE 4.26Å; E309-Y344 WeakPolarHBondContact OE2-CE2 3.45Å; E309-Y344 PolarHBondContact OE2-OH 3.42Å
310A98.2Very high97.6Very high3 Ų314.8 Ų14.83%0.0258%0.078CC..EExtended strand (participates in β ladder)trans-76.5112.7174.800000111.3L23 L257 E258 L261 V302 I338L23-A310 HydrophobicContact CD1-CB 3.93Å; L257-A310 HydrophobicContact CD1-CB 3.81Å; E258-A310 HydrophobicContact CG-CB 4.06Å; E258-A310 PolarHBondContact OE1-N 2.54Å; L261-A310 HydrophobicContact CD1-CB 3.59Å; V302-A310 HydrophobicContact CG2-CB 4.15Å; A310-I338 HydrophobicContact CB-CD1 4.1Å
311V98.2Very high97.6Very high0 Ų015.1 Ų15.10%09%0.09CC..EExtended strand (participates in β ladder)trans-78.4-55177.7-174.90000110.4V274 I277 I303 T305 E309 I338 M339V274-V311 HydrophobicContact CG1-CG1 4.13Å; V274-V311 HydrophobicContact CG1-CG2 3.92Å; V274-V311 HydrophobicContact CG2-CG2 4.4Å; I277-V311 HydrophobicContact CB-CG1 4.07Å; I277-V311 HydrophobicContact CG2-CG1 3.68Å; I303-V311 HydrophobicContact CB-CB 4.38Å; I303-V311 HydrophobicContact CG2-CB 4.24Å; I303-V311 WeakPolarHBondContact O-CB 3.25Å; I303-V311 PolarHBondContact O-N 3.15Å; T305-V311 HydrophobicContact CG2-CG2 3.45Å; T305-V311 VanDerWaalsContact CG2-CG2 3.45Å; E309-V311 PolarHBondContact O-N 3.02Å; V311-I338 PolarHBondContact O-N 2.81Å; V311-M339 HydrophobicContact CG1-CB 4.48Å; V311-M339 HydrophobicContact CG2-CE 4.24Å; V311-M339 HydrophobicContact CG2-SD 4.34Å; V311-M339 PolarHBondContact O-N 3.36Å
312C98Very high97.5Very high0 Ų017.5 Ų17.50%011%0.105CC..EExtended strand (participates in β ladder)trans-159.7160-178.971.60000112.5I277 I303 R336 V337I277-C312 HydrophobicContact CG2-CB 4.42Å; I277-C312 VanDerWaalsContact CG2-SG 3.58Å; I303-C312 VanDerWaalsContact CG1-SG 3.51Å; I303-C312 PolarHBondContact N-O 3Å; C312-R336 CarbonylContact C-O 3.52Å; C312-R336 VanDerWaalsContact CA-O 3.27Å; C312-R336 WeakPolarHBondContact CA-O 3.48Å; C312-R336 VanDerWaalsContact CB-O 3.24Å; C312-R336 WeakPolarHBondContact CB-O 3.35Å; C312-V337 HydrophobicContact CB-CG2 4.41Å
313L97.8Very high97.4Very high4 Ų417.5 Ų17.52%0.02111%0.105CC..EExtended strand (participates in β ladder)trans-84.3138158.3-70167.3000109L110 L261 E300 I301 V302 K335 R336 I338L110-L313 HydrophobicContact CD2-CD1 3.84Å; L261-L313 HydrophobicContact CD2-CD2 4.06Å; E300-L313 HydrophobicContact CG-CD2 4.32Å; I301-L313 WeakPolarHBondContact O-CA 3.36Å; V302-L313 HydrophobicContact CB-CD2 4.4Å; L313-K335 HydrophobicContact CB-CB 4.43Å; L313-K335 WeakPolarHBondContact O-CA 3.46Å; L313-K335 WeakPolarHBondContact O-CB 3.21Å; L313-K335 PolarHBondContact O-N 3.32Å; L313-R336 PolarHBondContact N-O 3.26Å; L313-R336 PolarHBondContact O-N 2.97Å; L313-I338 HydrophobicContact CG-CD1 4.26Å
314A98.2Very high97.2Very high0 Ų021.9 Ų21.90%013%0.128CC..EExtended strand (participates in β ladder)trans-135.6161.6-179.200000111.1I283 E300 I301 I303 A332 K333I283-A314 HydrophobicContact CG1-CB 4.46Å; E300-A314 WeakPolarHBondContact CA-O 3.12Å; I301-A314 HydrophobicContact CG1-CB 4.04Å; I301-A314 PolarHBondContact N-O 3.24Å; I301-A314 PolarHBondContact O-N 3.12Å; I303-A314 HydrophobicContact CD1-CB 4.18Å; I303-A314 HydrophobicContact CG1-CB 3.92Å; A314-A332 HydrophobicContact CB-CB 3.85Å; A314-K333 CarbonylContact C-O 3.52Å; A314-K333 VanDerWaalsContact CA-O 3.25Å; A314-K333 WeakPolarHBondContact CA-O 3.48Å; A314-K333 WeakPolarHBondContact CB-O 3.2Å
315I98.4Very high97Very high29 Ų2927.1 Ų27.115%0.14916%0.16CC..EExtended strand (participates in β ladder)trans-106.6122.5172.2-61.1-57.1000107.9N298 S299 E300 L317 A332 K333 K335N298-I315 HydrophobicContact CB-CG2 4.33Å; S299-I315 WeakPolarHBondContact O-CA 3.34Å; E300-I315 HydrophobicContact CB-CD1 4.16Å; E300-I315 HydrophobicContact CG-CD1 4.43Å; I315-L317 PolarHBondContact O-N 2.83Å; I315-A332 VanDerWaalsContact O-CA 3.23Å; I315-A332 WeakPolarHBondContact O-CA 3.29Å; I315-A332 VanDerWaalsContact O-CB 3.28Å; I315-A332 WeakPolarHBondContact O-CB 3.42Å; I315-K333 HydrophobicContact CB-CG 4.01Å; I315-K333 PolarHBondContact N-O 3.07Å; I315-K333 PolarHBondContact O-N 2.77Å; I315-K335 HydrophobicContact CD1-CD 3.95Å; I315-K335 HydrophobicContact CG1-CB 4.26Å; I315-K335 HydrophobicContact CG1-CD 4.42Å
316A98.6Very high96.7Very high0 Ų029.1 Ų29.10%017%0.174CC..EExtended strand (participates in β ladder)trans-62.5132.3179.300000111.1I295 E296 N298 S299 I301I295-A316 HydrophobicContact CG2-CB 3.71Å; E296-A316 WeakPolarHBondContact O-CB 3.5Å; N298-A316 WeakPolarHBondContact CA-O 3.38Å; N298-A316 PolarHBondContact N-O 2.9Å; S299-A316 PolarHBondContact O-N 2.85Å; I301-A316 HydrophobicContact CD1-CB 4.38Å; I301-A316 HydrophobicContact CG2-CB 4.35Å
317L98.3Very high96.5Very high63 Ų6334 Ų3433%0.3320%0.198SC..SBendtrans-114.6-3.7174.1-62.2-178.5000111.9L297 I315 V330 V331 K333L297-L317 VanDerWaalsContact CD1-C 3.41Å; L297-L317 WeakPolarHBondContact CD1-O 3.38Å; I315-L317 PolarHBondContact O-N 2.83Å; L317-V330 HydrophobicContact CD1-CG1 3.83Å; L317-V331 WeakPolarHBondContact CA-O 3.49Å; L317-V331 PolarHBondContact N-O 3.02Å; L317-K333 HydrophobicContact CD1-CB 4.03Å; L317-K333 HydrophobicContact CD1-CD 4.46Å; L317-K333 HydrophobicContact CD1-CG 4.24Å; L317-K333 HydrophobicContact CD2-CD 4.32Å; L317-K333 HydrophobicContact CD2-CG 4.43Å; L317-K333 HydrophobicContact CG-CG 4.39Å
318M97.6Very high96.3Very high24 Ų2439 Ų3912%0.11822%0.222CC..SBendtrans-130.9144.9172.4-71-179.8164.200108.9L285 T322 M323 V330 V331L285-M318 HydrophobicContact CD2-SD 4.44Å; M318-T322 HydrophobicContact CB-CG2 4.29Å; M318-T322 HydrophobicContact CE-CG2 4.47Å; M318-T322 HydrophobicContact CG-CG2 4.05Å; M318-T322 HydrophobicContact SD-CG2 4.37Å; M318-M323 HydrophobicContact CB-CG 3.75Å; M318-M323 HydrophobicContact SD-CG 4.29Å; M318-V330 WeakPolarHBondContact CG-O 3.4Å; M318-V331 PolarHBondContact N-O 2.68Å; M318-V331 HydrophobicContact SD-CB 4.46Å; M318-V331 HydrophobicContact SD-CG2 3.86Å
319T97.8Very high96.2Very high34 Ų3440.2 Ų40.221%0.20923%0.234CC..  trans-82.7167.7170.164.50000110.7I295 L297 A321 T322 M323I295-T319 CarbonylContact O-C 3.54Å; I295-T319 WeakPolarHBondContact O-CA 3.15Å; L297-T319 HydrophobicContact CB-CG2 4.31Å; T319-A321 VanDerWaalsContact C-N 3.29Å; T319-A321 PolarHBondContact O-N 3.07Å; T319-T322 PolarHBondContact O-N 3.26Å; T319-T322 PolarHBondContact OG1-N 2.83Å; T319-T322 PolarHBondContact OG1-OG1 3.43Å; T319-T322 VanDerWaalsContact OG1-OG1 3.11Å; T319-M323 WeakPolarHBondContact O-CG 3.49Å; T319-M323 PolarHBondContact O-N 2.83Å
320T97.7Very high96.2Very high12 Ų1242.2 Ų42.27%0.07425%0.247CC..Hα-helixtrans-49.6-50.3170.5-56.20000111.6F291 D293 D294 I295 T322 M323 L324F291-T320 HydrophobicContact CD2-CG2 4.34Å; F291-T320 HydrophobicContact CE2-CG2 3.75Å; D293-T320 WeakPolarHBondContact OD1-CG2 3.32Å; D294-T320 PolarHBondContact N-OG1 2.94Å; I295-T320 PolarHBondContact N-OG1 3.41Å; I295-T320 PolarHBondContact O-N 3.17Å; T320-T322 VanDerWaalsContact C-N 3.32Å; T320-T322 PolarHBondContact O-N 2.9Å; T320-M323 PolarHBondContact O-N 3.47Å; T320-M323 VanDerWaalsContact O-N 3.12Å; T320-L324 HydrophobicContact CG2-CD1 4.17Å; T320-L324 WeakPolarHBondContact O-CG 3.46Å; T320-L324 PolarHBondContact O-N 3.46Å
321A96.2Very high96.1Very high64 Ų6442.1 Ų42.153%0.52925%0.246SC..Hα-helixtrans-60.5-39.4-17800000112.7T319 L324 T325T319-A321 VanDerWaalsContact C-N 3.29Å; T319-A321 PolarHBondContact O-N 3.07Å; A321-L324 PolarHBondContact O-N 3.33Å; A321-T325 PolarHBondContact O-N 3.2Å; A321-T325 PolarHBondContact O-OG1 3.24Å
322T96.5Very high96.1Very high51 Ų5142.1 Ų42.131%0.31325%0.246SC..Hα-helixtrans-68.3-41175.6-52.50000111.6M318 T319 T320 L324 T325 C326M318-T322 HydrophobicContact CB-CG2 4.29Å; M318-T322 HydrophobicContact CE-CG2 4.47Å; M318-T322 HydrophobicContact CG-CG2 4.05Å; M318-T322 HydrophobicContact SD-CG2 4.37Å; T319-T322 PolarHBondContact O-N 3.26Å; T319-T322 PolarHBondContact OG1-N 2.83Å; T319-T322 PolarHBondContact OG1-OG1 3.43Å; T319-T322 VanDerWaalsContact OG1-OG1 3.11Å; T320-T322 VanDerWaalsContact C-N 3.32Å; T320-T322 PolarHBondContact O-N 2.9Å; T322-L324 VanDerWaalsContact C-N 3.25Å; T322-L324 PolarHBondContact O-N 2.84Å; T322-T325 PolarHBondContact O-N 3.07Å; T322-T325 PolarHBondContact O-OG1 3.19Å; T322-C326 WeakPolarHBondContact CG2-SG 3.47Å; T322-C326 WeakPolarHBondContact O-CB 3.29Å; T322-C326 PolarHBondContact O-N 2.86Å; T322-C326 PolarHBondContact O-SG 3.22Å; T322-C326 VanDerWaalsContact O-SG 3.39Å
323M96.3Very high96.1Very high0 Ų047 Ų470%027%0.267CS..Hα-helixtrans-66.8-24.3177.6-73.1-171.8-73.500113.4R33 I267 L285 F291 I295 M318 T319 T320 V331R33-M323 PolarHBondContact NH1-O 2.86Å; I267-M323 HydrophobicContact CD1-CE 4.47Å; I267-M323 HydrophobicContact CD1-SD 3.99Å; L285-M323 HydrophobicContact CD1-CB 4.34Å; L285-M323 HydrophobicContact CD1-CG 4.22Å; F291-M323 HydrophobicContact CB-CE 4.41Å; F291-M323 HydrophobicContact CB-SD 4.48Å; F291-M323 HydrophobicContact CD2-CB 4.41Å; F291-M323 HydrophobicContact CD2-CE 3.68Å; F291-M323 HydrophobicContact CD2-SD 4.27Å; F291-M323 HydrophobicContact CE1-CB 4.08Å; F291-M323 HydrophobicContact CE2-CB 3.91Å; F291-M323 HydrophobicContact CE2-CE 4.13Å; F291-M323 HydrophobicContact CG-CE 4.11Å; F291-M323 HydrophobicContact CG-SD 4.18Å; F291-M323 HydrophobicContact CZ-CB 3.71Å; I295-M323 HydrophobicContact CB-CE 3.93Å; I295-M323 HydrophobicContact CD1-CE 3.84Å; I295-M323 HydrophobicContact CG1-CE 4.46Å; I295-M323 HydrophobicContact CG2-CE 3.93Å; M318-M323 HydrophobicContact CB-CG 3.75Å; M318-M323 HydrophobicContact SD-CG 4.29Å; T319-M323 WeakPolarHBondContact O-CG 3.49Å; T319-M323 PolarHBondContact O-N 2.83Å; T320-M323 PolarHBondContact O-N 3.47Å; T320-M323 VanDerWaalsContact O-N 3.12Å; M323-V331 HydrophobicContact CG-CG1 4.33Å; M323-V331 HydrophobicContact CG-CG2 4.39Å; M323-V331 HydrophobicContact SD-CB 4.48Å; M323-V331 HydrophobicContact SD-CG1 3.42Å; M323-V331 WeakPolarHBondContact SD-CG1 3.43Å; M323-V331 HydrophobicContact SD-CG2 4.32Å
324L94.6Very high96.1Very high92 Ų9248.9 Ų48.948%0.48228%0.277SS..Hα-helixtrans-76.2-30.4174.5-74.9169.6000112.8H31 F291 T320 A321 T322H31-L324 HydrophobicContact CB-CD2 4.29Å; F291-L324 HydrophobicContact CE2-CD2 4.38Å; F291-L324 HydrophobicContact CE2-CG 4.25Å; F291-L324 HydrophobicContact CZ-CD2 3.73Å; F291-L324 HydrophobicContact CZ-CG 3.87Å; T320-L324 HydrophobicContact CG2-CD1 4.17Å; T320-L324 WeakPolarHBondContact O-CG 3.46Å; T320-L324 PolarHBondContact O-N 3.46Å; A321-L324 PolarHBondContact O-N 3.33Å; T322-L324 VanDerWaalsContact C-N 3.25Å; T322-L324 PolarHBondContact O-N 2.84Å
325T93.6Very high96Very high109 Ų10954.1 Ų54.167%0.66930%0.3SS*.Hα-helixtrans-104.9-29.7-168.349.90000114.2A321 T322A321-T325 PolarHBondContact O-N 3.2Å; A321-T325 PolarHBondContact O-OG1 3.24Å; T322-T325 PolarHBondContact O-N 3.07Å; T322-T325 PolarHBondContact O-OG1 3.19Å
326C92.5Very high95.9Very high43 Ų4357.6 Ų57.629%0.29131%0.311SS..  trans-81.8150.5-178.3-66.20000111.8R33 L285 T322R33-C326 VanDerWaalsContact CZ-O 3.24Å; R33-C326 PolarHBondContact NH1-O 2.92Å; R33-C326 PolarHBondContact NH2-O 3.29Å; L285-C326 HydrophobicContact CD2-CB 3.88Å; L285-C326 WeakPolarHBondContact CD2-O 3.43Å; T322-C326 WeakPolarHBondContact CG2-SG 3.47Å; T322-C326 WeakPolarHBondContact O-CB 3.29Å; T322-C326 PolarHBondContact O-N 2.86Å; T322-C326 PolarHBondContact O-SG 3.22Å; T322-C326 VanDerWaalsContact O-SG 3.39Å
327D88.4Confident95.8Very high138 Ų13858.8 Ų58.874%0.73832%0.318SS*.SBendtrans-98.3-24174.9-70-38.9000113.7
328H91.1Very high95.7Very high150 Ų15056 Ų5669%0.69430%0.303SS*.SBendtrans-139.7165.3-179.964.566.3000111.8
329G93.9Very high95.7Very high27 Ų2755.6 Ų55.628%0.27830%0.301SS..SBendtrans131.5-179.2170.900000113.8L285L285-G329 PolarHBondContact N-O 3.39Å
330V97.3Very high95.5Very high44 Ų4458.3 Ų58.327%0.26731%0.312SS..EExtended strand (participates in β ladder)trans-94.8111.3-179.4-176.20000109.1K282 I283 L284 L317 M318K282-V330 HydrophobicContact CB-CG1 3.87Å; K282-V330 HydrophobicContact CD-CG1 3.97Å; K282-V330 HydrophobicContact CD-CG2 4.08Å; K282-V330 HydrophobicContact CG-CG1 4.37Å; I283-V330 CarbonylContact O-C 3.59Å; L284-V330 HydrophobicContact CD2-CB 4.49Å; L284-V330 HydrophobicContact CD2-CG2 3.85Å; L317-V330 HydrophobicContact CD1-CG1 3.83Å; M318-V330 WeakPolarHBondContact CG-O 3.4Å
331V97.8Very high95.3Very high1 Ų165 Ų651%0.00634%0.336CS..EExtended strand (participates in β ladder)trans-74.2-41.9179.1172.60000111.5I267 I283 L285 V288 L317 M318 M323I267-V331 HydrophobicContact CD1-CG1 3.45Å; I267-V331 VanDerWaalsContact CD1-CG1 3.45Å; I283-V331 HydrophobicContact CB-CB 4.46Å; I283-V331 HydrophobicContact CG2-CB 4.19Å; I283-V331 HydrophobicContact CG2-CG1 4.46Å; I283-V331 PolarHBondContact O-N 3.29Å; L285-V331 HydrophobicContact CB-CG2 3.7Å; L285-V331 HydrophobicContact CD1-CG2 3.49Å; L285-V331 VanDerWaalsContact CD1-CG2 3.49Å; L285-V331 HydrophobicContact CG-CG2 4.16Å; V288-V331 HydrophobicContact CG2-CG2 4.12Å; L317-V331 WeakPolarHBondContact CA-O 3.49Å; L317-V331 PolarHBondContact N-O 3.02Å; M318-V331 PolarHBondContact N-O 2.68Å; M318-V331 HydrophobicContact SD-CB 4.46Å; M318-V331 HydrophobicContact SD-CG2 3.86Å; M323-V331 HydrophobicContact CG-CG1 4.33Å; M323-V331 HydrophobicContact CG-CG2 4.39Å; M323-V331 HydrophobicContact SD-CB 4.48Å; M323-V331 HydrophobicContact SD-CG1 3.42Å; M323-V331 WeakPolarHBondContact SD-CG1 3.43Å; M323-V331 HydrophobicContact SD-CG2 4.32Å
332A98.2Very high95.2Very high0 Ų065.5 Ų65.50%033%0.33CS..EExtended strand (participates in β ladder)trans-156.2154-17700000111.9I283 I301 A314 I315I283-A332 HydrophobicContact CB-CB 3.99Å; I283-A332 HydrophobicContact CG1-CB 3.92Å; I283-A332 PolarHBondContact N-O 3.41Å; I283-A332 PolarHBondContact O-N 2.98Å; I301-A332 HydrophobicContact CD1-CB 3.9Å; A314-A332 HydrophobicContact CB-CB 3.85Å; I315-A332 VanDerWaalsContact O-CA 3.23Å; I315-A332 WeakPolarHBondContact O-CA 3.29Å; I315-A332 VanDerWaalsContact O-CB 3.28Å; I315-A332 WeakPolarHBondContact O-CB 3.42Å
333K97.9Very high95Very high101 Ų10165 Ų6544%0.43933%0.326SS..EExtended strand (participates in β ladder)trans-101.3143168.962.8-177.5179.2-172.30110A314 I315 L317 K335A314-K333 CarbonylContact C-O 3.52Å; A314-K333 VanDerWaalsContact CA-O 3.25Å; A314-K333 WeakPolarHBondContact CA-O 3.48Å; A314-K333 WeakPolarHBondContact CB-O 3.2Å; I315-K333 HydrophobicContact CB-CG 4.01Å; I315-K333 PolarHBondContact N-O 3.07Å; I315-K333 PolarHBondContact O-N 2.77Å; L317-K333 HydrophobicContact CD1-CB 4.03Å; L317-K333 HydrophobicContact CD1-CD 4.46Å; L317-K333 HydrophobicContact CD1-CG 4.24Å; L317-K333 HydrophobicContact CD2-CD 4.32Å; L317-K333 HydrophobicContact CD2-CG 4.43Å; L317-K333 HydrophobicContact CG-CG 4.39Å; K333-K335 PolarHBondContact O-N 2.71Å
334I97.9Very high94.9Very high45 Ų4565 Ų6523%0.23133%0.326CS..EExtended strand (participates in β ladder)trans-64.4132.6177.5-68.7170.3000109.8I277 G280 A281 V337I277-I334 HydrophobicContact CG2-CD1 3.94Å; I277-I334 HydrophobicContact CG2-CG1 4.33Å; I277-I334 WeakPolarHBondContact O-CD1 3.46Å; G280-I334 VanDerWaalsContact C-CD1 3.48Å; G280-I334 VanDerWaalsContact CA-CD1 3.5Å; A281-I334 WeakPolarHBondContact O-CD1 3.34Å; I334-V337 HydrophobicContact CD1-CG2 4.22Å; I334-V337 HydrophobicContact CG2-CG2 3.82Å
335K95.7Very high94.8Very high110 Ų11063.3 Ų63.348%0.47832%0.32SS..EExtended strand (participates in β ladder)trans-97.3-45.6167.1-172.7-174.7-177.9179.50110.6E300 L313 I315 K333E300-K335 HydrophobicContact CG-CD 4.31Å; E300-K335 VanDerWaalsContact OE1-CD 3.23Å; E300-K335 WeakPolarHBondContact OE1-CD 3.3Å; E300-K335 WeakPolarHBondContact OE1-CE 3.28Å; E300-K335 IonicContact OE1-NZ 3.25Å; E300-K335 PolarHBondContact OE1-NZ 3.25Å; E300-K335 IonicContact OE2-NZ 3.79Å; E300-K335 PolarHBondContact OE2-NZ 2.75Å; L313-K335 HydrophobicContact CB-CB 4.43Å; L313-K335 WeakPolarHBondContact O-CA 3.46Å; L313-K335 WeakPolarHBondContact O-CB 3.21Å; L313-K335 PolarHBondContact O-N 3.32Å; I315-K335 HydrophobicContact CD1-CD 3.95Å; I315-K335 HydrophobicContact CG1-CB 4.26Å; I315-K335 HydrophobicContact CG1-CD 4.42Å; K333-K335 PolarHBondContact O-N 2.71Å
336R95.5Very high94.4Very high102 Ų10264.7 Ų64.739%0.38531%0.313SS..EExtended strand (participates in β ladder)trans-159118.7-179.6-177.8162-71.1174.7-1112.2R109 C312 L313R109-R336 WeakPolarHBondContact O-CD 3.36Å; R109-R336 PolarHBondContact O-NH1 3.15Å; C312-R336 CarbonylContact C-O 3.52Å; C312-R336 VanDerWaalsContact CA-O 3.27Å; C312-R336 WeakPolarHBondContact CA-O 3.48Å; C312-R336 VanDerWaalsContact CB-O 3.24Å; C312-R336 WeakPolarHBondContact CB-O 3.35Å; L313-R336 PolarHBondContact N-O 3.26Å; L313-R336 PolarHBondContact O-N 2.97Å
337V97.2Very high93.9Very high25 Ų2566.7 Ų66.715%0.15232%0.317CS..EExtended strand (participates in β ladder)trans-72.4131.3170.9-178.30000110.4R109 C278 C312 I334 M339R109-V337 WeakPolarHBondContact CD-O 3.4Å; R109-V337 PolarHBondContact NH1-O 3Å; C278-V337 HydrophobicContact CB-CG1 4.33Å; C312-V337 HydrophobicContact CB-CG2 4.41Å; I334-V337 HydrophobicContact CD1-CG2 4.22Å; I334-V337 HydrophobicContact CG2-CG2 3.82Å; V337-M339 WeakPolarHBondContact CG1-O 3.2Å
338I95.9Very high93Very high3 Ų364.7 Ų64.72%0.01530%0.3CS..  trans-105.9-51.6179.8-59.7162.6000110R106 L110 L257 L261 A310 V311 L313R106-I338 PolarHBondContact NE-O 2.88Å; R106-I338 PolarHBondContact NH2-O 3.5Å; L110-I338 HydrophobicContact CD2-CD1 3.78Å; L110-I338 HydrophobicContact CD2-CG1 4.04Å; L257-I338 HydrophobicContact CD1-CG2 3.73Å; L257-I338 HydrophobicContact CD2-CG2 3.6Å; L257-I338 HydrophobicContact CG-CG2 4.39Å; L261-I338 HydrophobicContact CD1-CD1 3.69Å; A310-I338 HydrophobicContact CB-CD1 4.1Å; V311-I338 PolarHBondContact O-N 2.81Å; L313-I338 HydrophobicContact CG-CD1 4.26Å
339M96.8Very high91.6Very high16 Ų1660.2 Ų60.28%0.07929%0.285CS..SBendtrans-63.2149-179.4-179.9174.8-77.600111.8R106 V274 T305 E309 V311 V337 V343 Y344R106-M339 PolarHBondContact NH2-O 2.95Å; V274-M339 HydrophobicContact CG1-CE 4.44Å; V274-M339 HydrophobicContact CG1-SD 3.39Å; V274-M339 WeakPolarHBondContact CG1-SD 3.28Å; T305-M339 HydrophobicContact CG2-CE 3.65Å; T305-M339 HydrophobicContact CG2-SD 4.42Å; E309-M339 HydrophobicContact CB-CE 3.5Å; E309-M339 VanDerWaalsContact CB-CE 3.5Å; E309-M339 HydrophobicContact CG-CE 4.26Å; V311-M339 HydrophobicContact CG1-CB 4.48Å; V311-M339 HydrophobicContact CG2-CE 4.24Å; V311-M339 HydrophobicContact CG2-SD 4.34Å; V311-M339 PolarHBondContact O-N 3.36Å; V337-M339 WeakPolarHBondContact CG1-O 3.2Å; M339-V343 HydrophobicContact CG-CB 4.27Å; M339-V343 HydrophobicContact CG-CG2 4.09Å; M339-V343 HydrophobicContact SD-CB 4.33Å; M339-V343 HydrophobicContact SD-CG1 4.46Å; M339-Y344 HydrophobicContact CE-CD2 4.41Å; M339-Y344 HydrophobicContact CE-CE2 3.99Å; M339-Y344 HydrophobicContact SD-CD2 3.83Å; M339-Y344 HydrophobicContact SD-CE2 4.02Å
340E93.7Very high90.5Very high92 Ų9263.6 Ų63.643%0.4330%0.296SS..PPolyproline II helixtrans-71.3154.9175.1-51.1-140.2106.200111.4R106 C278 V343R106-E340 VanDerWaalsContact CD-OE1 3.23Å; R106-E340 WeakPolarHBondContact CD-OE1 3.39Å; R106-E340 HydrophobicContact CG-CG 4.32Å; R106-E340 IonicContact CZ-OE1 3.31Å; R106-E340 IonicContact NE-OE1 3.22Å; R106-E340 IonicContact NH1-OE1 3.65Å; R106-E340 PolarHBondContact NH1-OE1 2.86Å; C278-E340 PolarHBondContact SG-O 2.78Å; E340-V343 HydrophobicContact CB-CG2 3.72Å
341R93.8Very high89.1Confident152 Ų15263.3 Ų63.357%0.57430%0.302SS*.THydrogen-bonded Turntrans-70.3146.9171-69.8169.7179.5176.20.3108C278 Y279 V343C278-R341 HydrophobicContact CB-CG 4.15Å; C278-R341 PolarHBondContact O-NE 3.38Å; Y279-R341 HydrophobicContact CD2-CB 4.41Å; Y279-R341 HydrophobicContact CD2-CG 4.01Å; Y279-R341 HydrophobicContact CE1-CG 4.39Å; Y279-R341 HydrophobicContact CE2-CB 3.7Å; Y279-R341 HydrophobicContact CE2-CG 3.74Å; Y279-R341 HydrophobicContact CG-CG 4.49Å; R341-V343 PolarHBondContact O-N 2.58Å; R341-V343 VanDerWaalsContact O-N 3.16Å
342D93.6Very high88Confident75 Ų7568.4 Ų68.440%0.40134%0.335SS..THydrogen-bonded Turntrans67.210.7172.8-53.3-43.4000115.3N275 Y279 Y344 R346N275-D342 WeakPolarHBondContact ND2-CA 3.43Å; N275-D342 PolarHBondContact ND2-N 3.07Å; N275-D342 PolarHBondContact ND2-OD1 3.13Å; Y279-D342 PolarHBondContact OH-OD2 2.96Å; D342-Y344 CarbonylContact C-O 3.59Å; D342-R346 IonicContact OD1-CZ 2.61Å; D342-R346 IonicContact OD1-NE 2.79Å; D342-R346 PolarHBondContact OD1-NE 3.2Å; D342-R346 IonicContact OD1-NH2 3.7Å; D342-R346 IonicContact OD2-CZ 3.14Å; D342-R346 IonicContact OD2-NE 3.9Å; D342-R346 IonicContact OD2-NH2 2.99Å; D342-R346 PolarHBondContact OD2-NH2 2.95Å
343V93.1Very high86.9Confident39 Ų3971.2 Ų71.224%0.23635%0.352CS..SBendtrans-58.8-50.4161.11780000109.7A42 M339 E340 R341A42-V343 VanDerWaalsContact CB-O 3.29Å; A42-V343 WeakPolarHBondContact CB-O 3.22Å; M339-V343 HydrophobicContact CG-CB 4.27Å; M339-V343 HydrophobicContact CG-CG2 4.09Å; M339-V343 HydrophobicContact SD-CB 4.33Å; M339-V343 HydrophobicContact SD-CG1 4.46Å; E340-V343 HydrophobicContact CB-CG2 3.72Å; R341-V343 PolarHBondContact O-N 2.58Å; R341-V343 VanDerWaalsContact O-N 3.16Å
344Y94.8Very high85.8Confident1 Ų167.7 Ų67.70%0.00434%0.342CS..SBendtrans-94146.9168.2-76.5-103.3000109.4V40 A42 D271 V274 N275 T305 K307 E309 M339 D342V40-Y344 HydrophobicContact CB-CD1 4.32Å; V40-Y344 HydrophobicContact CB-CE1 4.43Å; V40-Y344 HydrophobicContact CG1-CD1 4.45Å; A42-Y344 VanDerWaalsContact O-CE1 3.3Å; A42-Y344 WeakPolarHBondContact O-CE1 3.48Å; A42-Y344 VanDerWaalsContact O-CZ 3.3Å; A42-Y344 PolarHBondContact O-OH 2.92Å; D271-Y344 HydrophobicContact CB-CD1 3.95Å; D271-Y344 HydrophobicContact CB-CE1 3.73Å; V274-Y344 HydrophobicContact CB-CD1 4.31Å; V274-Y344 HydrophobicContact CB-CD2 4.13Å; V274-Y344 HydrophobicContact CB-CG 3.92Å; V274-Y344 HydrophobicContact CG1-CD2 3.54Å; V274-Y344 HydrophobicContact CG1-CE2 4.1Å; V274-Y344 HydrophobicContact CG1-CG 3.83Å; N275-Y344 WeakPolarHBondContact CB-O 3.14Å; N275-Y344 PolarHBondContact ND2-O 2.71Å; T305-Y344 HydrophobicContact CG2-CE2 3.85Å; K307-Y344 PolarHBondContact NZ-OH 2.65Å; E309-Y344 WeakPolarHBondContact OE2-CE2 3.45Å; E309-Y344 PolarHBondContact OE2-OH 3.42Å; M339-Y344 HydrophobicContact CE-CD2 4.41Å; M339-Y344 HydrophobicContact CE-CE2 3.99Å; M339-Y344 HydrophobicContact SD-CD2 3.83Å; M339-Y344 HydrophobicContact SD-CE2 4.02Å; D342-Y344 CarbonylContact C-O 3.59Å
345P91.6Very high84.9Confident56 Ų5669.8 Ų69.836%0.36435%0.352SS..  trans-68.6154-179.828.6-35.4000112.3V40 N275 K347V40-P345 HydrophobicContact CG1-CG 3.82Å; N275-P345 WeakPolarHBondContact CB-O 3.37Å; P345-K347 PolarHBondContact O-N 3.49Å
346R86.8Confident84.2Confident138 Ų13869.1 Ų69.152%0.52135%0.349SS..  trans-71.1110.1174.2-63.2177.4-169.4179.48.8109.8N275 Y279 D342 W348N275-R346 WeakPolarHBondContact OD1-CG 3.47Å; Y279-R346 PolarHBondContact OH-NH2 3.06Å; D342-R346 IonicContact OD1-CZ 2.61Å; D342-R346 IonicContact OD1-NE 2.79Å; D342-R346 PolarHBondContact OD1-NE 3.2Å; D342-R346 IonicContact OD1-NH2 3.7Å; D342-R346 IonicContact OD2-CZ 3.14Å; D342-R346 IonicContact OD2-NE 3.9Å; D342-R346 IonicContact OD2-NH2 2.99Å; D342-R346 PolarHBondContact OD2-NH2 2.95Å; R346-W348 HydrophobicContact CB-CH2 4.45Å; R346-W348 HydrophobicContact CB-CZ2 4.33Å; R346-W348 HydrophobicContact CG-CH2 3.86Å; R346-W348 HydrophobicContact CG-CZ2 3.9Å; R346-W348 HydrophobicContact CG-CZ3 4.32Å
347K81.6Confident83.5Confident86 Ų8666 Ų6637%0.37434%0.338SS..  trans-107.314.7176-67.9-158.5176.2-174.90114.6P345 L350P345-K347 PolarHBondContact O-N 3.49Å; K347-L350 HydrophobicContact CB-CD1 4.48Å
348W68.9Low82.8Confident96 Ų9669.6 Ų69.636%0.36435%0.352SS..SBendtrans-90.5160.917363.272.4000112.6N275 A276 Y279 R346 L350N275-W348 HydrophobicContact CB-CZ3 4.09Å; N275-W348 WeakPolarHBondContact OD1-CH2 3.5Å; N275-W348 WeakPolarHBondContact OD1-CZ3 3.45Å; A276-W348 HydrophobicContact CB-CE3 3.71Å; A276-W348 HydrophobicContact CB-CZ3 3.87Å; Y279-W348 AromaticContact CD2-CH2 3.45Å; Y279-W348 HydrophobicContact CD2-CH2 3.45Å; Y279-W348 VanDerWaalsContact CD2-CH2 3.45Å; Y279-W348 HydrophobicContact CD2-CZ2 4.42Å; Y279-W348 HydrophobicContact CD2-CZ3 4.19Å; Y279-W348 AromaticContact CE2-CH2 3.89Å; Y279-W348 HydrophobicContact CE2-CH2 3.89Å; Y279-W348 AromaticContact CG-CH2 3.86Å; Y279-W348 HydrophobicContact CG-CH2 3.86Å; R346-W348 HydrophobicContact CB-CH2 4.45Å; R346-W348 HydrophobicContact CB-CZ2 4.33Å; R346-W348 HydrophobicContact CG-CH2 3.86Å; R346-W348 HydrophobicContact CG-CZ2 3.9Å; R346-W348 HydrophobicContact CG-CZ3 4.32Å; W348-L350 PolarHBondContact O-N 3.29Å
349S62.6Low82.3Confident56 Ų5675.3 Ų75.339%0.39238%0.379SS..SBendtrans59.329.7-178.1-52.30000114.8K358S349-K358 PolarHBondContact O-NZ 2.91Å
350L69.4Low81.8Confident98 Ų9875.2 Ų75.251%0.51338%0.378SS..  trans-106.3-2.6173.1-62176.8000112.8K347 W348 M355K347-L350 HydrophobicContact CB-CD1 4.48Å; W348-L350 PolarHBondContact O-N 3.29Å; L350-M355 VanDerWaalsContact O-CE 3.31Å; L350-M355 WeakPolarHBondContact O-CE 3.39Å
351G68.7Low81.5Confident37 Ų3773.3 Ų73.338%0.38137%0.37SS..SBendtrans-67.6156.9174.600000111.8V353 A354 M355G351-V353 VanDerWaalsContact C-N 3.29Å; G351-V353 PolarHBondContact O-N 2.97Å; G351-A354 PolarHBondContact O-N 2.88Å; G351-M355 PolarHBondContact O-N 3.13Å
352P73.5Confident81.2Confident108 Ų10874.2 Ų74.270%0.70138%0.381SS*.Hα-helixtrans-55.6-41.4-17618.6-30.3000112.8K356P352-K356 VanDerWaalsContact O-CB 3.31Å; P352-K356 WeakPolarHBondContact O-CB 3.47Å; P352-K356 PolarHBondContact O-N 3.36Å
353V76.4Confident81Confident59 Ų5973.8 Ų73.836%0.35839%0.387SS..Hα-helixtrans-68-39.2175.8-1780000111.8G351 K356 K357 W380 I383 Y384G351-V353 VanDerWaalsContact C-N 3.29Å; G351-V353 PolarHBondContact O-N 2.97Å; V353-K356 PolarHBondContact O-N 3.24Å; V353-K357 WeakPolarHBondContact O-CB 3.4Å; V353-K357 PolarHBondContact O-N 3.31Å; V353-W380 HydrophobicContact CG1-CH2 3.99Å; V353-W380 HydrophobicContact CG1-CZ3 4.45Å; V353-I383 HydrophobicContact CG1-CG2 4.39Å; V353-I383 HydrophobicContact CG2-CG2 4.39Å; V353-Y384 HydrophobicContact CG1-CD2 4.03Å
354A73.9Confident80.7Confident28 Ų2873.2 Ų73.223%0.23139%0.39CS..Hα-helixtrans-72.4-36.1-179.600000112.6G351 K357 K358G351-A354 PolarHBondContact O-N 2.88Å; A354-K357 WeakPolarHBondContact O-CB 3.15Å; A354-K357 PolarHBondContact O-N 3.06Å; A354-K358 PolarHBondContact O-N 2.98Å
355M79.5Confident80.4Confident89 Ų8975.9 Ų75.944%0.43840%0.404SS..Hα-helixtrans-65.2-45.5171.3-69.9-169.2-66.900110.7L350 G351 K357 K358 Q359L350-M355 VanDerWaalsContact O-CE 3.31Å; L350-M355 WeakPolarHBondContact O-CE 3.39Å; G351-M355 PolarHBondContact O-N 3.13Å; M355-K357 VanDerWaalsContact C-N 3.31Å; M355-K357 PolarHBondContact O-N 2.94Å; M355-K358 PolarHBondContact O-N 3.27Å; M355-K358 VanDerWaalsContact O-N 3.16Å; M355-Q359 WeakPolarHBondContact O-CG 3.28Å; M355-Q359 PolarHBondContact O-N 3.04Å
356K81.7Confident80.1Confident95 Ų9573.3 Ų73.341%0.41339%0.387SS..Hα-helixtrans-58.8-41.4173-170.5169.7-178.4174.80111.8P352 V353 K358 Q359 M360 W380P352-K356 VanDerWaalsContact O-CB 3.31Å; P352-K356 WeakPolarHBondContact O-CB 3.47Å; P352-K356 PolarHBondContact O-N 3.36Å; V353-K356 PolarHBondContact O-N 3.24Å; K356-K358 PolarHBondContact O-N 3.39Å; K356-Q359 PolarHBondContact O-N 3.4Å; K356-M360 HydrophobicContact CG-SD 4.28Å; K356-M360 WeakPolarHBondContact O-CB 3.37Å; K356-M360 VanDerWaalsContact O-CG 3.26Å; K356-M360 WeakPolarHBondContact O-CG 3.48Å; K356-M360 PolarHBondContact O-N 3Å; K356-W380 HydrophobicContact CB-CZ3 4.37Å; K356-W380 HydrophobicContact CD-CZ3 4.07Å; K356-W380 HydrophobicContact CG-CZ3 3.98Å
357K80.9Confident80.1Confident36 Ų3669.1 Ų69.116%0.15738%0.375CS..Hα-helixtrans-58.8-47.4173.9-172.9175.7-179.9179.20111.4V353 A354 M355 M360 I361 L366 G370 W380 Y384V353-K357 WeakPolarHBondContact O-CB 3.4Å; V353-K357 PolarHBondContact O-N 3.31Å; A354-K357 WeakPolarHBondContact O-CB 3.15Å; A354-K357 PolarHBondContact O-N 3.06Å; M355-K357 VanDerWaalsContact C-N 3.31Å; M355-K357 PolarHBondContact O-N 2.94Å; K357-M360 PolarHBondContact O-N 3.5Å; K357-I361 HydrophobicContact CG-CD1 4.21Å; K357-I361 VanDerWaalsContact O-CG1 3.28Å; K357-I361 WeakPolarHBondContact O-CG1 3.4Å; K357-I361 PolarHBondContact O-N 3.48Å; K357-L366 HydrophobicContact CG-CD1 3.87Å; K357-G370 WeakPolarHBondContact CE-O 3.27Å; K357-W380 HydrophobicContact CB-CH2 3.78Å; K357-W380 HydrophobicContact CB-CZ2 3.72Å; K357-W380 HydrophobicContact CD-CZ2 4.36Å; K357-W380 HydrophobicContact CG-CH2 4.45Å; K357-W380 HydrophobicContact CG-CZ2 3.88Å; K357-Y384 HydrophobicContact CD-CE2 3.99Å; K357-Y384 VanDerWaalsContact NZ-CZ 3.33Å; K357-Y384 PolarHBondContact NZ-OH 3.16Å
358K81.8Confident80.1Confident101 Ų10172.8 Ų72.844%0.43939%0.391SS..Hα-helixtrans-60.9-44.4176.7-77.5177.6176.8169.90112.2S349 A354 M355 K356 M360 I361 Q362S349-K358 PolarHBondContact O-NZ 2.91Å; A354-K358 PolarHBondContact O-N 2.98Å; M355-K358 PolarHBondContact O-N 3.27Å; M355-K358 VanDerWaalsContact O-N 3.16Å; K356-K358 PolarHBondContact O-N 3.39Å; K358-M360 VanDerWaalsContact C-N 3.33Å; K358-M360 PolarHBondContact O-N 3.28Å; K358-I361 PolarHBondContact O-N 3.45Å; K358-Q362 WeakPolarHBondContact O-CG 3.08Å; K358-Q362 PolarHBondContact O-N 3.1Å
359Q86.3Confident80.6Confident124 Ų12476 Ų7658%0.57940%0.404SS*.Hα-helixtrans-61.3-42175.5-71.3171.7-11.100111.5M355 K356 Q362 A363M355-Q359 WeakPolarHBondContact O-CG 3.28Å; M355-Q359 PolarHBondContact O-N 3.04Å; K356-Q359 PolarHBondContact O-N 3.4Å; Q359-Q362 PolarHBondContact O-N 3.16Å; Q359-A363 WeakPolarHBondContact O-CB 3.12Å; Q359-A363 PolarHBondContact O-N 2.87Å
360M86.1Confident81.3Confident14 Ų1473.5 Ų73.57%0.06939%0.387CS..Hα-helixtrans-66.2-36.4176.9-73.1-179.17100113K356 K357 K358 A363 G364 L365 L366 T376 P377 W380K356-M360 HydrophobicContact CG-SD 4.28Å; K356-M360 WeakPolarHBondContact O-CB 3.37Å; K356-M360 VanDerWaalsContact O-CG 3.26Å; K356-M360 WeakPolarHBondContact O-CG 3.48Å; K356-M360 PolarHBondContact O-N 3Å; K357-M360 PolarHBondContact O-N 3.5Å; K358-M360 VanDerWaalsContact C-N 3.33Å; K358-M360 PolarHBondContact O-N 3.28Å; M360-A363 PolarHBondContact O-N 3.31Å; M360-G364 PolarHBondContact O-N 3.42Å; M360-L365 HydrophobicContact CB-CB 4.13Å; M360-L365 HydrophobicContact CE-CB 4.05Å; M360-L365 HydrophobicContact CE-CD1 4.41Å; M360-L365 HydrophobicContact CG-CB 4.46Å; M360-L365 HydrophobicContact CG-CD1 4.15Å; M360-L365 WeakPolarHBondContact O-CB 3.44Å; M360-L365 PolarHBondContact O-N 3.45Å; M360-L366 HydrophobicContact CB-CD1 3.76Å; M360-L366 HydrophobicContact CB-CG 3.99Å; M360-L366 HydrophobicContact CE-CD1 4.5Å; M360-L366 HydrophobicContact CE-CG 4.28Å; M360-L366 PolarHBondContact O-N 2.92Å; M360-T376 HydrophobicContact CE-CG2 4.25Å; M360-P377 HydrophobicContact CE-CG 4.22Å; M360-W380 HydrophobicContact CE-CB 4.22Å; M360-W380 HydrophobicContact CE-CD2 3.92Å; M360-W380 HydrophobicContact CE-CE3 4.16Å; M360-W380 HydrophobicContact CE-CG 3.95Å; M360-W380 HydrophobicContact SD-CD2 3.68Å; M360-W380 HydrophobicContact SD-CE3 3.41Å; M360-W380 HydrophobicContact SD-CG 4.34Å; M360-W380 HydrophobicContact SD-CH2 4.13Å; M360-W380 HydrophobicContact SD-CZ2 4.36Å; M360-W380 HydrophobicContact SD-CZ3 3.65Å
361I86.3Confident82Confident52 Ų5275.1 Ų75.127%0.26739%0.39SS..Hα-helixtrans-63.9-46.7172.5-66.4166.7000110.1K357 K358 A363 G364 L366K357-I361 HydrophobicContact CG-CD1 4.21Å; K357-I361 VanDerWaalsContact O-CG1 3.28Å; K357-I361 WeakPolarHBondContact O-CG1 3.4Å; K357-I361 PolarHBondContact O-N 3.48Å; K358-I361 PolarHBondContact O-N 3.45Å; I361-A363 VanDerWaalsContact C-N 3.29Å; I361-A363 PolarHBondContact O-N 3.06Å; I361-G364 PolarHBondContact O-N 3.04Å; I361-L366 HydrophobicContact CG1-CB 3.82Å; I361-L366 HydrophobicContact CG1-CD1 4.17Å
362Q87.6Confident82.8Confident171 Ų17176.5 Ų76.580%0.79939%0.392SS*.Hα-helixtrans-62.7-35.6177.8-74.8176.2-16.600112.6K358 Q359 G364K358-Q362 WeakPolarHBondContact O-CG 3.08Å; K358-Q362 PolarHBondContact O-N 3.1Å; Q359-Q362 PolarHBondContact O-N 3.16Å; Q362-G364 PolarHBondContact O-N 3.19Å
363A89.1Confident83.5Confident65 Ų6574.1 Ų74.154%0.53737%0.374SS..THydrogen-bonded Turntrans-76.8-1.4174.900000114Q359 M360 I361 L365Q359-A363 WeakPolarHBondContact O-CB 3.12Å; Q359-A363 PolarHBondContact O-N 2.87Å; M360-A363 PolarHBondContact O-N 3.31Å; I361-A363 VanDerWaalsContact C-N 3.29Å; I361-A363 PolarHBondContact O-N 3.06Å; A363-L365 HydrophobicContact CB-CD1 4.15Å; A363-L365 HydrophobicContact CB-CG 4.03Å; A363-L365 PolarHBondContact O-N 3.31Å
364G86.5Confident83.9Confident28 Ų2881.1 Ų81.129%0.28940%0.403SS..THydrogen-bonded Turntrans69.511.1-176.500000114.7M360 I361 Q362 L366 N373M360-G364 PolarHBondContact O-N 3.42Å; I361-G364 PolarHBondContact O-N 3.04Å; Q362-G364 PolarHBondContact O-N 3.19Å; G364-L366 PolarHBondContact O-N 3.13Å; G364-N373 PolarHBondContact O-ND2 3.49Å
365L88.4Confident84.5Confident56 Ų5688.7 Ų88.729%0.29343%0.425SS..SBendtrans-75.8-14.3174.6-60.7174.2000112.2M360 A363 N373 R375 T376M360-L365 HydrophobicContact CB-CB 4.13Å; M360-L365 HydrophobicContact CE-CB 4.05Å; M360-L365 HydrophobicContact CE-CD1 4.41Å; M360-L365 HydrophobicContact CG-CB 4.46Å; M360-L365 HydrophobicContact CG-CD1 4.15Å; M360-L365 WeakPolarHBondContact O-CB 3.44Å; M360-L365 PolarHBondContact O-N 3.45Å; A363-L365 HydrophobicContact CB-CD1 4.15Å; A363-L365 HydrophobicContact CB-CG 4.03Å; A363-L365 PolarHBondContact O-N 3.31Å; L365-N373 PolarHBondContact O-OD1 2.86Å; L365-R375 HydrophobicContact CD2-CB 4.19Å; L365-R375 WeakPolarHBondContact CD2-O 3.26Å; L365-T376 WeakPolarHBondContact O-CA 3.31Å; L365-T376 WeakPolarHBondContact O-CB 3.42Å; L365-T376 PolarHBondContact O-OG1 2.82Å
366L87.1Confident84.8Confident3 Ų385.6 Ų85.62%0.01641%0.411CS..BIsolated β-bridgetrans-131.7159.1170.1-65.3172.2000108.4K357 M360 I361 G364 K371 T376 W380K357-L366 HydrophobicContact CG-CD1 3.87Å; M360-L366 HydrophobicContact CB-CD1 3.76Å; M360-L366 HydrophobicContact CB-CG 3.99Å; M360-L366 HydrophobicContact CE-CD1 4.5Å; M360-L366 HydrophobicContact CE-CG 4.28Å; M360-L366 PolarHBondContact O-N 2.92Å; I361-L366 HydrophobicContact CG1-CB 3.82Å; I361-L366 HydrophobicContact CG1-CD1 4.17Å; G364-L366 PolarHBondContact O-N 3.13Å; L366-K371 WeakPolarHBondContact CA-O 3.36Å; L366-T376 HydrophobicContact CD2-CG2 3.71Å; L366-W380 HydrophobicContact CD1-CZ2 4.1Å
367D85.1Confident84.9Confident50 Ų5083.6 Ų83.627%0.26741%0.408SS..  trans-70.2175171.780.82000112.2Y369 G370 K371D367-Y369 PolarHBondContact O-N 3.03Å; D367-Y369 VanDerWaalsContact O-N 3.07Å; D367-Y369 VanDerWaalsContact OD1-C 3.25Å; D367-Y369 VanDerWaalsContact OD1-CA 3.29Å; D367-Y369 WeakPolarHBondContact OD1-CA 3.12Å; D367-Y369 WeakPolarHBondContact OD1-CB 3.32Å; D367-Y369 PolarHBondContact OD1-N 2.97Å; D367-G370 PolarHBondContact O-N 3.32Å; D367-G370 PolarHBondContact OD1-N 3.36Å; D367-K371 PolarHBondContact N-O 3.25Å; D367-K371 PolarHBondContact OD1-N 3.03Å; D367-K371 WeakPolarHBondContact OD2-CB 3.36Å
368K82.2Confident84.8Confident163 Ų16385 Ų8571%0.70943%0.433SS*.THydrogen-bonded Turntrans-61.5-16.1179.168.3-176.8-179.8-179.40114.7
369Y80.1Confident84.7Confident162 Ų16284.6 Ų84.664%0.63544%0.435SS*.THydrogen-bonded Turntrans-99.3-0175.7-57-69.3000112.3D367D367-Y369 PolarHBondContact O-N 3.03Å; D367-Y369 VanDerWaalsContact O-N 3.07Å; D367-Y369 VanDerWaalsContact OD1-C 3.25Å; D367-Y369 VanDerWaalsContact OD1-CA 3.29Å; D367-Y369 WeakPolarHBondContact OD1-CA 3.12Å; D367-Y369 WeakPolarHBondContact OD1-CB 3.32Å; D367-Y369 PolarHBondContact OD1-N 2.97Å
370G77.8Confident84.3Confident4 Ų478.9 Ų78.94%0.04141%0.409CS..SBendtrans7720-177.900000114.5K357 D367K357-G370 WeakPolarHBondContact CE-O 3.27Å; D367-G370 PolarHBondContact O-N 3.32Å; D367-G370 PolarHBondContact OD1-N 3.36Å
371K84.1Confident83.5Confident132 Ų13285.8 Ų85.857%0.57444%0.438SS*.  trans-83.5148.8172.5-60.8-177.2176.7-179.60110.7L366 D367L366-K371 WeakPolarHBondContact CA-O 3.36Å; D367-K371 PolarHBondContact N-O 3.25Å; D367-K371 PolarHBondContact OD1-N 3.03Å; D367-K371 WeakPolarHBondContact OD2-CB 3.36Å
372P85.3Confident82.7Confident66 Ų6692.3 Ų92.343%0.42947%0.465SS..BIsolated β-bridgetrans-58.8139.8174.2-24.134.6000112.8T376 K381P372-T376 WeakPolarHBondContact CA-OG1 3.31Å; P372-T376 HydrophobicContact CB-CG2 4.04Å; P372-K381 HydrophobicContact CG-CG 4.49Å
373N87Confident81.7Confident59 Ų5987.9 Ų87.932%0.31645%0.446SS..  trans-124-174.517167.423.7000109.6G364 L365 R375 T376G364-N373 PolarHBondContact O-ND2 3.49Å; L365-N373 PolarHBondContact O-OD1 2.86Å; N373-R375 PolarHBondContact O-N 2.88Å; N373-R375 VanDerWaalsContact O-N 3.13Å; N373-R375 WeakPolarHBondContact OD1-CA 3.47Å; N373-R375 WeakPolarHBondContact OD1-CB 3.37Å; N373-R375 PolarHBondContact OD1-N 3.3Å; N373-T376 PolarHBondContact N-OG1 3.32Å; N373-T376 WeakPolarHBondContact O-CB 3.41Å; N373-T376 PolarHBondContact O-N 3.45Å; N373-T376 PolarHBondContact O-OG1 3.44Å; N373-T376 PolarHBondContact OD1-N 2.9Å; N373-T376 PolarHBondContact OD1-OG1 2.99Å
374E85.6Confident80.4Confident205 Ų20587.9 Ų87.996%0.95843%0.432SS*.THydrogen-bonded Turntrans-59.6-23.9-178.4-62.5173.9-171.900113.9
375R86.1Confident79.3Confident188 Ų18892.7 Ų92.771%0.70946%0.456SS*.THydrogen-bonded Turntrans-93-2.3-180-60.7-178.2176.2-176-1.7113.1L365 N373 P377L365-R375 HydrophobicContact CD2-CB 4.19Å; L365-R375 WeakPolarHBondContact CD2-O 3.26Å; N373-R375 PolarHBondContact O-N 2.88Å; N373-R375 VanDerWaalsContact O-N 3.13Å; N373-R375 WeakPolarHBondContact OD1-CA 3.47Å; N373-R375 WeakPolarHBondContact OD1-CB 3.37Å; N373-R375 PolarHBondContact OD1-N 3.3Å; R375-P377 WeakPolarHBondContact O-CD 3.43Å
376T85.6Confident77.7Confident23 Ų2395.2 Ų95.214%0.14147%0.47CS..SBendtrans-72.4125.7-176.9-52.50000111.6M360 L365 L366 P372 N373 G378 W380M360-T376 HydrophobicContact CE-CG2 4.25Å; L365-T376 WeakPolarHBondContact O-CA 3.31Å; L365-T376 WeakPolarHBondContact O-CB 3.42Å; L365-T376 PolarHBondContact O-OG1 2.82Å; L366-T376 HydrophobicContact CD2-CG2 3.71Å; P372-T376 WeakPolarHBondContact CA-OG1 3.31Å; P372-T376 HydrophobicContact CB-CG2 4.04Å; N373-T376 PolarHBondContact N-OG1 3.32Å; N373-T376 WeakPolarHBondContact O-CB 3.41Å; N373-T376 PolarHBondContact O-N 3.45Å; N373-T376 PolarHBondContact O-OG1 3.44Å; N373-T376 PolarHBondContact OD1-N 2.9Å; N373-T376 PolarHBondContact OD1-OG1 2.99Å; T376-G378 PolarHBondContact O-N 3.39Å; T376-W380 HydrophobicContact CG2-CB 3.85Å; T376-W380 HydrophobicContact CG2-CG 4.02Å
377P83.2Confident76.2Confident53 Ų53100 Ų10034%0.34451%0.51SS..  trans-56134.8173.7-27.136.1000112.9M360 R375 N379 W380M360-P377 HydrophobicContact CE-CG 4.22Å; R375-P377 WeakPolarHBondContact O-CD 3.43Å; P377-N379 WeakPolarHBondContact CB-OD1 3.35Å; P377-N379 PolarHBondContact O-N 2.93Å; P377-N379 VanDerWaalsContact O-N 3.13Å; P377-W380 VanDerWaalsContact O-CB 3.27Å; P377-W380 WeakPolarHBondContact O-CB 3.48Å; P377-W380 PolarHBondContact O-N 2.84Å
378G79.8Confident74Confident66 Ų66110.6 Ų110.668%0.6855%0.554SS**THydrogen-bonded Turntrans-60.4-25-176.600000114.8T376 W380T376-G378 PolarHBondContact O-N 3.39Å; G378-W380 VanDerWaalsContact C-N 3.32Å; G378-W380 PolarHBondContact O-N 2.96Å
379N79.8Confident73.6Confident92 Ų92108 Ų10849%0.49255%0.546SS..THydrogen-bonded Turntrans-72.1-21.817564.4-14.2000113.5P377 K381 K382 I383P377-N379 WeakPolarHBondContact CB-OD1 3.35Å; P377-N379 PolarHBondContact O-N 2.93Å; P377-N379 VanDerWaalsContact O-N 3.13Å; N379-K381 VanDerWaalsContact C-N 3.31Å; N379-K381 PolarHBondContact O-N 3.21Å; N379-K382 WeakPolarHBondContact O-CB 3.46Å; N379-K382 PolarHBondContact O-N 3.07Å; N379-I383 WeakPolarHBondContact O-CG1 3.18Å; N379-I383 PolarHBondContact O-N 3.05Å
380W76.8Confident73.2Confident4 Ų4105.1 Ų105.12%0.01554%0.541CS..Hα-helixtrans-61.4-39.2-178.5-177.7-109.8000112.3V353 K356 K357 M360 L366 T376 P377 G378 K382 I383 Y384V353-W380 HydrophobicContact CG1-CH2 3.99Å; V353-W380 HydrophobicContact CG1-CZ3 4.45Å; K356-W380 HydrophobicContact CB-CZ3 4.37Å; K356-W380 HydrophobicContact CD-CZ3 4.07Å; K356-W380 HydrophobicContact CG-CZ3 3.98Å; K357-W380 HydrophobicContact CB-CH2 3.78Å; K357-W380 HydrophobicContact CB-CZ2 3.72Å; K357-W380 HydrophobicContact CD-CZ2 4.36Å; K357-W380 HydrophobicContact CG-CH2 4.45Å; K357-W380 HydrophobicContact CG-CZ2 3.88Å; M360-W380 HydrophobicContact CE-CB 4.22Å; M360-W380 HydrophobicContact CE-CD2 3.92Å; M360-W380 HydrophobicContact CE-CE3 4.16Å; M360-W380 HydrophobicContact CE-CG 3.95Å; M360-W380 HydrophobicContact SD-CD2 3.68Å; M360-W380 HydrophobicContact SD-CE3 3.41Å; M360-W380 HydrophobicContact SD-CG 4.34Å; M360-W380 HydrophobicContact SD-CH2 4.13Å; M360-W380 HydrophobicContact SD-CZ2 4.36Å; M360-W380 HydrophobicContact SD-CZ3 3.65Å; L366-W380 HydrophobicContact CD1-CZ2 4.1Å; T376-W380 HydrophobicContact CG2-CB 3.85Å; T376-W380 HydrophobicContact CG2-CG 4.02Å; P377-W380 VanDerWaalsContact O-CB 3.27Å; P377-W380 WeakPolarHBondContact O-CB 3.48Å; P377-W380 PolarHBondContact O-N 2.84Å; G378-W380 VanDerWaalsContact C-N 3.32Å; G378-W380 PolarHBondContact O-N 2.96Å; W380-K382 PolarHBondContact O-N 3.34Å; W380-I383 PolarHBondContact O-N 3.49Å; W380-Y384 HydrophobicContact CZ2-CD2 4.27Å; W380-Y384 HydrophobicContact CZ2-CG 4.12Å; W380-Y384 PolarHBondContact O-N 3.22Å
381K69.2Low73Confident159 Ų159110.7 Ų110.769%0.69157%0.569SS**Hα-helixtrans-61.3-23.3175.9-72.4-175179.3177.30113.3P372 N379P372-K381 HydrophobicContact CG-CG 4.49Å; N379-K381 VanDerWaalsContact C-N 3.31Å; N379-K381 PolarHBondContact O-N 3.21Å
382K70Confident72.3Confident190 Ų190109.5 Ų109.583%0.82657%0.569SS**Hα-helixtrans-84.5-27174.9-64.5-174.6177.9-177.50112.7N379 W380N379-K382 WeakPolarHBondContact O-CB 3.46Å; N379-K382 PolarHBondContact O-N 3.07Å; W380-K382 PolarHBondContact O-N 3.34Å
383I66.4Low71.5Confident78 Ų78112.2 Ų112.240%0.458%0.577SS.*Hα-helixtrans-88.2-31.5-174.4-62.8165.6000111.4V353 N379 W380V353-I383 HydrophobicContact CG1-CG2 4.39Å; V353-I383 HydrophobicContact CG2-CG2 4.39Å; N379-I383 WeakPolarHBondContact O-CG1 3.18Å; N379-I383 PolarHBondContact O-N 3.05Å; W380-I383 PolarHBondContact O-N 3.49Å
384Y63.2Low70.5Confident65 Ų65115.7 Ų115.726%0.25560%0.595SS.*  trans-118.7120.3-173.9-177.4-92.5000112.1V353 K357 W380 D386V353-Y384 HydrophobicContact CG1-CD2 4.03Å; K357-Y384 HydrophobicContact CD-CE2 3.99Å; K357-Y384 VanDerWaalsContact NZ-CZ 3.33Å; K357-Y384 PolarHBondContact NZ-OH 3.16Å; W380-Y384 HydrophobicContact CZ2-CD2 4.27Å; W380-Y384 HydrophobicContact CZ2-CG 4.12Å; W380-Y384 PolarHBondContact O-N 3.22Å; Y384-D386 WeakPolarHBondContact CE1-OD1 3.44Å; Y384-D386 PolarHBondContact OH-OD1 3.09Å
385T61.6Low69.4Low128 Ų128109.4 Ų109.479%0.78557%0.569SS**  trans-117.9127.1170.7-13.40000108.4A387T385-A387 PolarHBondContact O-N 3.35Å
386D55.9Low68.1Low109 Ų109103.3 Ų103.358%0.58356%0.558SS**  trans-66.6129.3171.9-86.5-37.8000109.6Y384 K388Y384-D386 WeakPolarHBondContact CE1-OD1 3.44Å; Y384-D386 PolarHBondContact OH-OD1 3.09Å; D386-K388 PolarHBondContact O-N 3.32Å; D386-K388 VanDerWaalsContact O-N 3.15Å
387A54.7Low66.6Low104 Ų104110 Ų11086%0.8659%0.593SS**  trans-70.3105.6164.800000107.6T385T385-A387 PolarHBondContact O-N 3.35Å
388K38.8Very low65.1Low272 Ų272115.2 Ų115.2100%1.18362%0.615SS**  trans-72.80169.9-85.3-174.3176.6-179.40111.5D386D386-K388 PolarHBondContact O-N 3.32Å; D386-K388 VanDerWaalsContact O-N 3.15Å

Retrieved 388 of 388 residues in 1417 ms (Link to these results)

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