A0A077ZI96_TRITR Loading...

ADH N and ADH zinc N domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZI96, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 327 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
1M83.2Confident92.7Very high103 Ų10353.8 Ų53.851%0.50726%0.256SS..  0139.40-178.6-176.1-69.100107.3L27 V36 Q74M1-L27 HydrophobicContact CB-CD1 4.13Å; M1-L27 HydrophobicContact CG-CD1 4.09Å; M1-L27 PolarHBondContact O-N 2.89Å; M1-L27 HydrophobicContact SD-CD1 3.79Å; M1-V36 HydrophobicContact CE-CG1 4.39Å; M1-V36 HydrophobicContact SD-CG1 3.93Å; M1-Q74 HydrophobicContact CE-CG 4.33Å; M1-Q74 VanDerWaalsContact CE-NE2 3.26Å
2I89.4Confident93.1Very high105 Ų10550.3 Ų50.354%0.53824%0.239SC..EExtended strand (participates in β ladder)trans-95139.3173.9-63.4173.3000107.6E24 V25I2-E24 HydrophobicContact CG2-CB 3.81Å; I2-E24 HydrophobicContact CG2-CG 4.25Å; I2-V25 CarbonylContact C-O 3.58Å; I2-V25 WeakPolarHBondContact CA-O 3.1Å
3S92.2Very high93.4Very high2 Ų256.8 Ų56.81%0.01427%0.266CS..EExtended strand (participates in β ladder)trans-121.7140.3170.3-172.70000110.1V25 S96 S98S3-V25 PolarHBondContact N-O 3.08Å; S3-V25 PolarHBondContact O-N 2.99Å; S3-S96 PolarHBondContact OG-OG 3.43Å; S3-S98 WeakPolarHBondContact CB-O 3.39Å; S3-S98 PolarHBondContact OG-N 3.09Å; S3-S98 PolarHBondContact OG-O 2.8Å
4R95.1Very high93.7Very high95 Ų9554.1 Ų54.136%0.35825%0.254SS..EExtended strand (participates in β ladder)trans-80.9131167.5-170.2169.561.5137.5-0.8109.2T22 Y23 S96 E97 F302R4-T22 HydrophobicContact CG-CG2 3.43Å; R4-T22 VanDerWaalsContact CG-CG2 3.43Å; R4-Y23 CarbonylContact C-O 3.55Å; R4-Y23 WeakPolarHBondContact CA-O 3.27Å; R4-S96 WeakPolarHBondContact O-CA 3.19Å; R4-E97 HydrophobicContact CB-CG 4.1Å; R4-E97 WeakPolarHBondContact CB-OE2 3.45Å; R4-E97 IonicContact CZ-OE1 3.24Å; R4-E97 VanDerWaalsContact CZ-OE1 3.24Å; R4-E97 IonicContact NE-OE1 3.02Å; R4-E97 PolarHBondContact NE-OE1 2.87Å; R4-E97 IonicContact NE-OE2 3.74Å; R4-E97 IonicContact NH2-OE1 2.66Å; R4-E97 PolarHBondContact NH2-OE1 3.45Å; R4-E97 PolarHBondContact O-N 2.89Å; R4-F302 HydrophobicContact CG-CE1 4.24Å
5V94.9Very high93.9Very high2 Ų258.1 Ų58.11%0.01229%0.29CS..EExtended strand (participates in β ladder)trans-130151.8-177.3-52.20000111.3T22 Y23 V25 V63 Y95 S96V5-T22 WeakPolarHBondContact O-CA 3.19Å; V5-Y23 HydrophobicContact CG2-CD2 4.44Å; V5-Y23 PolarHBondContact N-O 3.08Å; V5-Y23 PolarHBondContact O-N 2.75Å; V5-V25 HydrophobicContact CG1-CG1 4.46Å; V5-V25 HydrophobicContact CG1-CG2 3.56Å; V5-V25 HydrophobicContact CG2-CG1 3.75Å; V5-V25 HydrophobicContact CG2-CG2 4.38Å; V5-V63 HydrophobicContact CB-CG1 3.99Å; V5-V63 HydrophobicContact CB-CG2 3.9Å; V5-V63 HydrophobicContact CG1-CG1 4.32Å; V5-V63 HydrophobicContact CG1-CG2 4.28Å; V5-V63 HydrophobicContact CG2-CG2 3.67Å; V5-Y95 CarbonylContact C-O 3.11Å; V5-Y95 WeakPolarHBondContact CA-O 3.39Å; V5-S96 WeakPolarHBondContact CG1-OG 3.21Å
6I97Very high94Very high0 Ų058.8 Ų58.80%030%0.302CS..EExtended strand (participates in β ladder)trans-101.4117.5165.8-54.7-53.5000107.8F20 E21 T22 Y95 F302 P304 F307I6-F20 HydrophobicContact CG2-CB 3.87Å; I6-F20 HydrophobicContact CG2-CD1 3.96Å; I6-F20 HydrophobicContact CG2-CG 4.15Å; I6-E21 WeakPolarHBondContact CA-O 3.32Å; I6-T22 WeakPolarHBondContact CD1-OG1 3.5Å; I6-Y95 PolarHBondContact N-O 3.24Å; I6-Y95 WeakPolarHBondContact O-CB 3.33Å; I6-F302 HydrophobicContact CD1-CD1 4.4Å; I6-F302 HydrophobicContact CD1-CE1 4.12Å; I6-F302 HydrophobicContact CD1-CZ 4.45Å; I6-F302 HydrophobicContact CG1-CD1 4.31Å; I6-F302 HydrophobicContact CG1-CD2 4.44Å; I6-F302 HydrophobicContact CG1-CE1 3.91Å; I6-F302 HydrophobicContact CG1-CE2 4.06Å; I6-F302 HydrophobicContact CG1-CZ 3.77Å; I6-P304 HydrophobicContact CD1-CG 4.1Å; I6-F307 HydrophobicContact CB-CD2 3.74Å; I6-F307 HydrophobicContact CB-CE2 3.96Å; I6-F307 HydrophobicContact CB-CG 4.34Å; I6-F307 HydrophobicContact CG1-CD2 3.6Å; I6-F307 HydrophobicContact CG1-CE2 3.56Å; I6-F307 HydrophobicContact CG2-CB 4.05Å; I6-F307 HydrophobicContact CG2-CD2 3.69Å; I6-F307 HydrophobicContact CG2-CE2 4.42Å; I6-F307 HydrophobicContact CG2-CG 4.02Å
7G94.1Very high94.2Very high0 Ų057 Ų570%030%0.302CS..EExtended strand (participates in β ladder)trans-146.2-169.9-175.500000112.7F20 E21 H62G7-F20 CarbonylContact O-C 3.53Å; G7-F20 VanDerWaalsContact O-CA 3.29Å; G7-F20 WeakPolarHBondContact O-CA 3.46Å; G7-E21 PolarHBondContact N-O 2.9Å; G7-E21 PolarHBondContact O-N 3.15Å; G7-H62 CarbonylContact C-O 3.48Å; G7-H62 WeakPolarHBondContact CA-O 3.3Å
8F94.5Very high94.4Very high1 Ų156.9 Ų56.90%0.00430%0.302CS..EExtended strand (participates in β ladder)trans-154.3151.7175.856-85.5000109.9K10 F12 H19 F20 R52 H62 L64F8-K10 WeakPolarHBondContact CD2-O 3.45Å; F8-F12 HydrophobicContact CB-CD1 4.21Å; F8-F12 HydrophobicContact CB-CE1 3.77Å; F8-F12 HydrophobicContact CD1-CE1 4.09Å; F8-F12 HydrophobicContact CD2-CD1 4.23Å; F8-F12 HydrophobicContact CD2-CE1 4.29Å; F8-F12 HydrophobicContact CG-CD1 4.15Å; F8-F12 AromaticContact CG-CE1 3.78Å; F8-F12 HydrophobicContact CG-CE1 3.78Å; F8-H19 WeakPolarHBondContact CB-O 3.41Å; F8-F20 AromaticContact CD1-CD1 3.96Å; F8-F20 HydrophobicContact CD1-CD1 3.96Å; F8-F20 AromaticContact CD1-CE1 3.65Å; F8-F20 HydrophobicContact CD1-CE1 3.65Å; F8-F20 HydrophobicContact CE1-CE1 4.06Å; F8-R52 HydrophobicContact CD1-CG 4.18Å; F8-R52 HydrophobicContact CE1-CB 4.23Å; F8-R52 HydrophobicContact CE1-CG 3.81Å; F8-R52 HydrophobicContact CE2-CG 4.42Å; F8-R52 HydrophobicContact CZ-CB 4.12Å; F8-R52 HydrophobicContact CZ-CG 3.97Å; F8-H62 HydrophobicContact CD1-CB 4.32Å; F8-H62 HydrophobicContact CD2-CB 4.08Å; F8-H62 HydrophobicContact CE1-CB 3.85Å; F8-H62 HydrophobicContact CE2-CB 3.6Å; F8-H62 AromaticContact CE2-CD2 3.85Å; F8-H62 AromaticContact CE2-CG 3.82Å; F8-H62 HydrophobicContact CG-CB 4.4Å; F8-H62 HydrophobicContact CZ-CB 3.44Å; F8-H62 VanDerWaalsContact CZ-CB 3.44Å; F8-H62 PolarHBondContact N-O 2.84Å; F8-H62 WeakPolarHBondContact O-CB 3.44Å; F8-H62 PolarHBondContact O-CD2 3.24Å; F8-H62 PolarHBondContact O-N 3.04Å; F8-L64 HydrophobicContact CE1-CD1 3.62Å; F8-L64 HydrophobicContact CE1-CD2 4.39Å; F8-L64 HydrophobicContact CE1-CG 3.8Å; F8-L64 HydrophobicContact CZ-CD1 4.07Å; F8-L64 HydrophobicContact CZ-CD2 4.36Å; F8-L64 HydrophobicContact CZ-CG 4.24Å
9E90.2Very high94.6Very high114 Ų11458.2 Ų58.253%0.53331%0.306SS..SBendtrans-81.8-41.8-177.4-62.8-172163.200113.5G57 T58 H62E9-G57 WeakPolarHBondContact O-CA 3.23Å; E9-T58 PolarHBondContact O-N 3.13Å; E9-H62 PolarHBondContact O-CD2 3.09Å
10K93.4Very high94.7Very high151 Ų15155.7 Ų55.766%0.65729%0.292SS*.SBendtrans-132.7141.8-178.9-175.5-179.4178.2-176.70109.8F8F8-K10 WeakPolarHBondContact CD2-O 3.45Å
11G95.3Very high94.9Very high19 Ų1957.8 Ų57.820%0.19630%0.3CS..  trans-59.7141.5-178.800000113.1R52 G55G11-R52 CarbonylContact C-O 3.52Å; G11-R52 WeakPolarHBondContact CA-O 3.37Å; G11-G55 WeakPolarHBondContact CA-O 3.49Å; G11-G55 PolarHBondContact N-O 2.91Å
12F97.8Very high95.6Very high12 Ų1256 Ų565%0.05330%0.296CS..  trans-144.5155.6-171.370.4-82.1000112.9F8 H19 F20 R52 Y308F8-F12 HydrophobicContact CB-CD1 4.21Å; F8-F12 HydrophobicContact CB-CE1 3.77Å; F8-F12 HydrophobicContact CD1-CE1 4.09Å; F8-F12 HydrophobicContact CD2-CD1 4.23Å; F8-F12 HydrophobicContact CD2-CE1 4.29Å; F8-F12 HydrophobicContact CG-CD1 4.15Å; F8-F12 AromaticContact CG-CE1 3.78Å; F8-F12 HydrophobicContact CG-CE1 3.78Å; F12-H19 HydrophobicContact CB-CB 4.38Å; F12-H19 HydrophobicContact CD1-CB 3.65Å; F12-H19 HydrophobicContact CD2-CB 3.86Å; F12-H19 AromaticContact CD2-CD2 3.55Å; F12-H19 AromaticContact CD2-CG 4Å; F12-H19 HydrophobicContact CE1-CB 3.72Å; F12-H19 HydrophobicContact CE2-CB 3.92Å; F12-H19 HydrophobicContact CG-CB 3.71Å; F12-H19 AromaticContact CG-CD2 3.87Å; F12-H19 AromaticContact CG-CG 3.96Å; F12-H19 HydrophobicContact CZ-CB 3.84Å; F12-F20 AromaticContact CZ-CD2 3.78Å; F12-F20 HydrophobicContact CZ-CD2 3.78Å; F12-F20 AromaticContact CZ-CE2 3.85Å; F12-F20 HydrophobicContact CZ-CE2 3.85Å; F12-F20 HydrophobicContact CZ-CG 4.15Å; F12-F20 HydrophobicContact CZ-CZ 4.26Å; F12-R52 HydrophobicContact CD1-CG 3.99Å; F12-R52 HydrophobicContact CE1-CG 3.62Å; F12-R52 HydrophobicContact CZ-CG 4.07Å; F12-R52 PolarHBondContact N-O 3.02Å; F12-R52 PolarHBondContact O-NE 2.95Å; F12-R52 PolarHBondContact O-NH2 3.29Å; F12-Y308 HydrophobicContact CE2-CD2 4.49Å
13K97.4Very high95.8Very high134 Ų13452.8 Ų52.858%0.58328%0.277SS*.  trans-92.2146.1172.3-65.1-175.4178-176.10109.2S15 S16K13-S15 PolarHBondContact O-N 3.03Å; K13-S15 VanDerWaalsContact O-N 3.15Å; K13-S16 PolarHBondContact O-N 3.26Å; K13-S16 PolarHBondContact O-OG 3.25Å
14L97.2Very high95.9Very high19 Ų1960 Ų6010%0.09931%0.31CS..G310 helixtrans-59.7-29.4176.6-61.8172.4000112.1S16 G17 Y308 H311 Q312 E315L14-S16 PolarHBondContact O-N 3.37Å; L14-G17 PolarHBondContact O-N 3.21Å; L14-Y308 HydrophobicContact CB-CE2 4.2Å; L14-Y308 HydrophobicContact CD2-CD2 3.54Å; L14-Y308 HydrophobicContact CD2-CE2 3.32Å; L14-Y308 HydrophobicContact CD2-CG 4.5Å; L14-Y308 HydrophobicContact CG-CE2 4.36Å; L14-Y308 PolarHBondContact O-OH 2.72Å; L14-H311 HydrophobicContact CD1-CB 4.38Å; L14-H311 HydrophobicContact CD2-CB 4.13Å; L14-Q312 HydrophobicContact CD1-CB 4.28Å; L14-Q312 HydrophobicContact CD1-CG 3.81Å; L14-Q312 HydrophobicContact CD2-CG 4.39Å; L14-E315 HydrophobicContact CD1-CB 4.17Å; L14-E315 VanDerWaalsContact CD1-CD 3.48Å; L14-E315 HydrophobicContact CD1-CG 4.15Å; L14-E315 WeakPolarHBondContact CD1-OE2 3.45Å
15S96.4Very high95.6Very high114 Ų11457.2 Ų57.280%0.79730%0.304SS*.G310 helixtrans-64.9-16.517660.60000114.8K13 G17K13-S15 PolarHBondContact O-N 3.03Å; K13-S15 VanDerWaalsContact O-N 3.15Å; S15-G17 VanDerWaalsContact C-N 3.31Å
16S96.5Very high95.3Very high69 Ų6964.7 Ų64.748%0.48334%0.341SS..G310 helixtrans-89.58.4172.8590000113.6K13 L14 H19K13-S16 PolarHBondContact O-N 3.26Å; K13-S16 PolarHBondContact O-OG 3.25Å; L14-S16 PolarHBondContact O-N 3.37Å; S16-H19 PolarHBondContact O-NE2 3.47Å
17G96.6Very high94.8Very high29 Ų2965.7 Ų65.730%0.29935%0.346SS..  trans95.5-175.9-178.400000113.6L14 S15 H19 Y308L14-G17 PolarHBondContact O-N 3.21Å; S15-G17 VanDerWaalsContact C-N 3.31Å; G17-H19 PolarHBondContact O-CD2 3.07Å; G17-H19 VanDerWaalsContact O-CD2 3.3Å; G17-Y308 WeakPolarHBondContact O-CE2 3.45Å
18N98.2Very high94.3Very high55 Ų5569.6 Ų69.629%0.29437%0.371SS..  trans-83.6115.1176.3-17312.6000110.5F20 P304 Y308N18-F20 WeakPolarHBondContact OD1-CB 3.4Å; N18-F20 PolarHBondContact OD1-N 3.22Å; N18-P304 PolarHBondContact ND2-O 3.39Å; N18-Y308 HydrophobicContact CB-CD1 4.15Å; N18-Y308 HydrophobicContact CB-CD2 3.6Å; N18-Y308 HydrophobicContact CB-CE1 4.42Å; N18-Y308 HydrophobicContact CB-CE2 3.9Å; N18-Y308 HydrophobicContact CB-CG 3.72Å; N18-Y308 WeakPolarHBondContact OD1-CB 3.34Å; N18-Y308 WeakPolarHBondContact OD1-CD2 3.01Å
19H97.5Very high93.9Very high82 Ų8278.6 Ų78.638%0.3841%0.41SS..  trans-113.512.8173.3-60.1-106.3000111.7F8 F12 S16 G17F8-H19 WeakPolarHBondContact CB-O 3.41Å; F12-H19 HydrophobicContact CB-CB 4.38Å; F12-H19 HydrophobicContact CD1-CB 3.65Å; F12-H19 HydrophobicContact CD2-CB 3.86Å; F12-H19 AromaticContact CD2-CD2 3.55Å; F12-H19 AromaticContact CD2-CG 4Å; F12-H19 HydrophobicContact CE1-CB 3.72Å; F12-H19 HydrophobicContact CE2-CB 3.92Å; F12-H19 HydrophobicContact CG-CB 3.71Å; F12-H19 AromaticContact CG-CD2 3.87Å; F12-H19 AromaticContact CG-CG 3.96Å; F12-H19 HydrophobicContact CZ-CB 3.84Å; S16-H19 PolarHBondContact O-NE2 3.47Å; G17-H19 PolarHBondContact O-CD2 3.07Å; G17-H19 VanDerWaalsContact O-CD2 3.3Å
20F98.2Very high93.8Very high7 Ų775.2 Ų75.23%0.03140%0.396CS..  trans-69.5140.5163.3-71.9-69.3000108.9I6 G7 F8 F12 N18 R52 P304 F307 Y308 H311I6-F20 HydrophobicContact CG2-CB 3.87Å; I6-F20 HydrophobicContact CG2-CD1 3.96Å; I6-F20 HydrophobicContact CG2-CG 4.15Å; G7-F20 CarbonylContact O-C 3.53Å; G7-F20 VanDerWaalsContact O-CA 3.29Å; G7-F20 WeakPolarHBondContact O-CA 3.46Å; F8-F20 AromaticContact CD1-CD1 3.96Å; F8-F20 HydrophobicContact CD1-CD1 3.96Å; F8-F20 AromaticContact CD1-CE1 3.65Å; F8-F20 HydrophobicContact CD1-CE1 3.65Å; F8-F20 HydrophobicContact CE1-CE1 4.06Å; F12-F20 AromaticContact CZ-CD2 3.78Å; F12-F20 HydrophobicContact CZ-CD2 3.78Å; F12-F20 AromaticContact CZ-CE2 3.85Å; F12-F20 HydrophobicContact CZ-CE2 3.85Å; F12-F20 HydrophobicContact CZ-CG 4.15Å; F12-F20 HydrophobicContact CZ-CZ 4.26Å; N18-F20 WeakPolarHBondContact OD1-CB 3.4Å; N18-F20 PolarHBondContact OD1-N 3.22Å; F20-R52 HydrophobicContact CE1-CG 4.5Å; F20-R52 HydrophobicContact CZ-CG 4.04Å; F20-P304 HydrophobicContact CB-CB 3.81Å; F20-P304 VanDerWaalsContact O-CB 3.25Å; F20-P304 WeakPolarHBondContact O-CB 3.36Å; F20-F307 HydrophobicContact CD2-CB 4.33Å; F20-F307 HydrophobicContact CE2-CB 4.42Å; F20-F307 HydrophobicContact CG-CB 4.48Å; F20-Y308 HydrophobicContact CD2-CD2 4.5Å; F20-H311 HydrophobicContact CE2-CB 4.5Å; F20-H311 AromaticContact CZ-CE1 3.69Å; F20-H311 AromaticContact CZ-ND1 3.81Å; F20-H311 AromaticContact CZ-NE2 3.85Å
21E97.5Very high93.6Very high101 Ų10172.8 Ų72.847%0.47239%0.39SS..EExtended strand (participates in β ladder)trans-138.5161.9176.6-67.8178.7-163.200110I6 G7 Y23I6-E21 WeakPolarHBondContact CA-O 3.32Å; G7-E21 PolarHBondContact N-O 2.9Å; G7-E21 PolarHBondContact O-N 3.15Å; E21-Y23 HydrophobicContact CB-CD2 4.39Å; E21-Y23 HydrophobicContact CB-CE2 3.6Å; E21-Y23 WeakPolarHBondContact O-CD2 3.34Å; E21-Y23 PolarHBondContact OE2-OH 3.37Å
22T97.5Very high93.4Very high66 Ų6677.1 Ų77.141%0.40540%0.403SS..EExtended strand (participates in β ladder)trans-90.4126.4173.4-59.30000109.4R4 V5 I6R4-T22 HydrophobicContact CG-CG2 3.43Å; R4-T22 VanDerWaalsContact CG-CG2 3.43Å; V5-T22 WeakPolarHBondContact O-CA 3.19Å; I6-T22 WeakPolarHBondContact CD1-OG1 3.5Å
23Y94.4Very high93.1Very high37 Ų3778 Ų7815%0.14541%0.41CS..EExtended strand (participates in β ladder)trans-121152.3174.4-56-94.2000110.5R4 V5 E21 P61R4-Y23 CarbonylContact C-O 3.55Å; R4-Y23 WeakPolarHBondContact CA-O 3.27Å; V5-Y23 HydrophobicContact CG2-CD2 4.44Å; V5-Y23 PolarHBondContact N-O 3.08Å; V5-Y23 PolarHBondContact O-N 2.75Å; E21-Y23 HydrophobicContact CB-CD2 4.39Å; E21-Y23 HydrophobicContact CB-CE2 3.6Å; E21-Y23 WeakPolarHBondContact O-CD2 3.34Å; E21-Y23 PolarHBondContact OE2-OH 3.37Å; Y23-P61 HydrophobicContact CD1-CB 4.1Å; Y23-P61 HydrophobicContact CD1-CG 4.04Å; Y23-P61 HydrophobicContact CD2-CB 3.64Å; Y23-P61 HydrophobicContact CD2-CG 3.98Å; Y23-P61 HydrophobicContact CE1-CB 4.17Å; Y23-P61 HydrophobicContact CE2-CB 3.68Å; Y23-P61 HydrophobicContact CE2-CG 4.48Å; Y23-P61 HydrophobicContact CG-CB 3.86Å; Y23-P61 HydrophobicContact CG-CG 3.74Å
24E94.4Very high92.8Very high152 Ų15271.9 Ų71.971%0.7138%0.384SS*.EExtended strand (participates in β ladder)trans-100.9122.8163.3-70.2-170.4162.400108.7I2I2-E24 HydrophobicContact CG2-CB 3.81Å; I2-E24 HydrophobicContact CG2-CG 4.25Å
25V88.7Confident92.6Very high38 Ų3871 Ų7123%0.2338%0.379CS..EExtended strand (participates in β ladder)trans-120.8142.4-179.2-55.40000110.9I2 S3 V5 L27 P61I2-V25 CarbonylContact C-O 3.58Å; I2-V25 WeakPolarHBondContact CA-O 3.1Å; S3-V25 PolarHBondContact N-O 3.08Å; S3-V25 PolarHBondContact O-N 2.99Å; V5-V25 HydrophobicContact CG1-CG1 4.46Å; V5-V25 HydrophobicContact CG1-CG2 3.56Å; V5-V25 HydrophobicContact CG2-CG1 3.75Å; V5-V25 HydrophobicContact CG2-CG2 4.38Å; V25-L27 PolarHBondContact O-N 3.45Å; V25-P61 HydrophobicContact CG1-CG 4.1Å
26M87.7Confident92.4Very high159 Ų15965.6 Ų65.678%0.78334%0.341SS*.EExtended strand (participates in β ladder)trans-76.1119.9170.3-171.6172-63.800109
27L86.8Confident92.2Very high21 Ų2162.4 Ų62.411%0.1132%0.319CS..PPolyproline II helixtrans-62.6141.6173.6-66.1-173.5000110.3M1 V25 V36 S98 V100M1-L27 HydrophobicContact CB-CD1 4.13Å; M1-L27 HydrophobicContact CG-CD1 4.09Å; M1-L27 PolarHBondContact O-N 2.89Å; M1-L27 HydrophobicContact SD-CD1 3.79Å; V25-L27 PolarHBondContact O-N 3.45Å; L27-V36 HydrophobicContact CD1-CG1 4.1Å; L27-S98 WeakPolarHBondContact CD2-O 3.34Å; L27-V100 HydrophobicContact CB-CG2 4.18Å; L27-V100 HydrophobicContact CD1-CG2 4.44Å
28P84.5Confident92.2Very high82 Ų8267.1 Ų67.153%0.53233%0.331SS..PPolyproline II helixtrans-61.7156.8176.727.5-33.8000110.4L30 V100P28-L30 PolarHBondContact O-N 2.86Å; P28-V100 HydrophobicContact CG-CB 4.04Å; P28-V100 HydrophobicContact CG-CG1 4.5Å; P28-V100 HydrophobicContact CG-CG2 3.87Å
29K85.6Confident92Very high189 Ų18964.8 Ų64.882%0.82232%0.318SS*.PPolyproline II helixtrans-63.7134.3172.6-174.3176.3179.3-179.20109N31K29-N31 PolarHBondContact O-OD1 2.68Å
30L88.4Confident91.9Very high44 Ų4463.3 Ų63.323%0.2331%0.312CS..PPolyproline II helixtrans-65.5136.3179-81.867.5000111P28 D34 V36 Q74 V100P28-L30 PolarHBondContact O-N 2.86Å; L30-D34 HydrophobicContact CB-CB 4.37Å; L30-D34 HydrophobicContact CG-CB 4.31Å; L30-V36 HydrophobicContact CD1-CG2 3.65Å; L30-V36 HydrophobicContact CD2-CG2 4.08Å; L30-V36 HydrophobicContact CG-CG2 4.2Å; L30-Q74 HydrophobicContact CD2-CB 3.95Å; L30-V100 HydrophobicContact CD1-CG2 4.3Å
31N88.7Confident91.8Very high99 Ų9963 Ų6353%0.52931%0.311SS..PPolyproline II helixtrans-84.3171.1165.8-47.3-10.4000109.3K29 T33 D34 G76K29-N31 PolarHBondContact O-OD1 2.68Å; N31-T33 PolarHBondContact O-N 3.22Å; N31-D34 HydrophobicContact CB-CB 4.48Å; N31-D34 WeakPolarHBondContact CB-OD2 3.25Å; N31-D34 PolarHBondContact N-OD2 2.71Å; N31-D34 PolarHBondContact ND2-OD2 2.78Å; N31-D34 PolarHBondContact O-N 2.86Å; N31-D34 VanDerWaalsContact O-N 3.16Å; N31-D34 PolarHBondContact OD1-OD2 2.99Å; N31-G76 WeakPolarHBondContact O-CA 3.26Å
32K92Very high91.7Very high110 Ų11058.1 Ų58.148%0.47829%0.288SS..THydrogen-bonded Turntrans-59.5-28.7-179.269.3-162.5-163.8130.80114.3G76 S77 E78K32-G76 CarbonylContact O-C 3.1Å; K32-G76 WeakPolarHBondContact O-CA 3.39Å; K32-S77 PolarHBondContact O-N 2.86Å; K32-E78 HydrophobicContact CB-CB 4.19Å; K32-E78 HydrophobicContact CB-CG 3.95Å; K32-E78 VanDerWaalsContact CD-CD 3.42Å; K32-E78 HydrophobicContact CD-CG 4.36Å; K32-E78 VanDerWaalsContact CD-OE1 3.31Å; K32-E78 WeakPolarHBondContact CD-OE1 3.33Å; K32-E78 WeakPolarHBondContact CD-OE2 3.02Å; K32-E78 WeakPolarHBondContact CE-OE2 3.37Å; K32-E78 HydrophobicContact CG-CB 4.35Å; K32-E78 HydrophobicContact CG-CG 4.15Å; K32-E78 WeakPolarHBondContact CG-OE2 3.33Å; K32-E78 IonicContact NZ-OE1 2.75Å; K32-E78 PolarHBondContact NZ-OE1 3.25Å; K32-E78 IonicContact NZ-OE2 2.8Å; K32-E78 PolarHBondContact NZ-OE2 2.91Å; K32-E78 WeakPolarHBondContact O-CA 3.21Å; K32-E78 WeakPolarHBondContact O-CB 3.23Å; K32-E78 PolarHBondContact O-N 3.08Å
33T90.7Very high91.7Very high32 Ų3255 Ų5520%0.19627%0.269CS..THydrogen-bonded Turntrans-101.30.2-179.854.80000114N31 S103N31-T33 PolarHBondContact O-N 3.22Å; T33-S103 VanDerWaalsContact O-CB 3.23Å; T33-S103 WeakPolarHBondContact O-CB 3.27Å; T33-S103 PolarHBondContact O-N 3.42Å; T33-S103 PolarHBondContact O-OG 3.13Å
34D92.2Very high91.8Very high5 Ų553.3 Ų53.33%0.02726%0.262CS..EExtended strand (participates in β ladder)trans-86.7166.2-177.2-70.5-29.3000111.9L30 N31 G76 V79 R91 V100 V101L30-D34 HydrophobicContact CB-CB 4.37Å; L30-D34 HydrophobicContact CG-CB 4.31Å; N31-D34 HydrophobicContact CB-CB 4.48Å; N31-D34 WeakPolarHBondContact CB-OD2 3.25Å; N31-D34 PolarHBondContact N-OD2 2.71Å; N31-D34 PolarHBondContact ND2-OD2 2.78Å; N31-D34 PolarHBondContact O-N 2.86Å; N31-D34 VanDerWaalsContact O-N 3.16Å; N31-D34 PolarHBondContact OD1-OD2 2.99Å; D34-G76 WeakPolarHBondContact O-CA 3.4Å; D34-G76 PolarHBondContact O-N 3.49Å; D34-V79 WeakPolarHBondContact O-CG2 3.4Å; D34-R91 IonicContact OD1-NH1 3.8Å; D34-V100 HydrophobicContact CB-CG1 3.71Å; D34-V101 CarbonylContact C-O 3.56Å; D34-V101 WeakPolarHBondContact CA-O 3.43Å
35L92Very high91.8Very high0 Ų046.2 Ų46.20%023%0.229CC..EExtended strand (participates in β ladder)trans-141.6161.1168.260.181.7000109.9V37 V72 Q74 L75 L82 V100 V101 V106L35-V37 HydrophobicContact CD1-CB 4.38Å; L35-V37 HydrophobicContact CD1-CG2 3.1Å; L35-V72 HydrophobicContact CD1-CG2 4.42Å; L35-V72 HydrophobicContact CD2-CG2 4.39Å; L35-Q74 CarbonylContact C-O 3.56Å; L35-Q74 VanDerWaalsContact CA-O 3.23Å; L35-Q74 WeakPolarHBondContact CA-O 3.35Å; L35-Q74 VanDerWaalsContact CB-O 3.31Å; L35-Q74 WeakPolarHBondContact CB-O 3.42Å; L35-L75 HydrophobicContact CB-CD2 4Å; L35-L82 HydrophobicContact CD2-CD1 3.19Å; L35-V100 CarbonylContact O-C 3.52Å; L35-V100 VanDerWaalsContact O-CA 3.3Å; L35-V100 WeakPolarHBondContact O-CA 3.36Å; L35-V101 HydrophobicContact CD1-CB 3.75Å; L35-V101 HydrophobicContact CD1-CG1 4.27Å; L35-V101 HydrophobicContact CD1-CG2 4.41Å; L35-V101 HydrophobicContact CG-CB 4.19Å; L35-V101 PolarHBondContact N-O 3.23Å; L35-V101 PolarHBondContact O-N 3Å; L35-V106 HydrophobicContact CD2-CG2 4.29Å
36V92.8Very high92Very high1 Ų148.1 Ų48.11%0.00624%0.242CC..EExtended strand (participates in β ladder)trans-102.6127.4168.9-177.70000108.7M1 L27 L30 V72 T73 Q74 Q99 V100M1-V36 HydrophobicContact CE-CG1 4.39Å; M1-V36 HydrophobicContact SD-CG1 3.93Å; L27-V36 HydrophobicContact CD1-CG1 4.1Å; L30-V36 HydrophobicContact CD1-CG2 3.65Å; L30-V36 HydrophobicContact CD2-CG2 4.08Å; L30-V36 HydrophobicContact CG-CG2 4.2Å; V36-V72 CarbonylContact O-C 3.57Å; V36-V72 WeakPolarHBondContact O-CA 3.25Å; V36-T73 WeakPolarHBondContact CB-OG1 3.46Å; V36-T73 VanDerWaalsContact CG1-OG1 3.23Å; V36-T73 WeakPolarHBondContact CG1-OG1 3.42Å; V36-T73 PolarHBondContact O-N 2.93Å; V36-T73 PolarHBondContact O-OG1 2.95Å; V36-Q74 HydrophobicContact CB-CB 3.95Å; V36-Q74 HydrophobicContact CB-CG 4.33Å; V36-Q74 HydrophobicContact CG2-CB 3.85Å; V36-Q74 HydrophobicContact CG2-CG 4.26Å; V36-Q74 PolarHBondContact N-O 2.94Å; V36-Q99 CarbonylContact C-O 3.59Å; V36-Q99 VanDerWaalsContact CA-O 3.31Å; V36-Q99 WeakPolarHBondContact CA-O 3.49Å; V36-V100 HydrophobicContact CG2-CG2 4.22Å
37V92.7Very high92.3Very high2 Ų242.3 Ų42.31%0.01222%0.216CC..EExtended strand (participates in β ladder)trans-107.3131.8172.1-172.10000108.8L35 G70 V71 T88 S98 Q99 V101L35-V37 HydrophobicContact CD1-CB 4.38Å; L35-V37 HydrophobicContact CD1-CG2 3.1Å; V37-G70 VanDerWaalsContact CG1-C 3.41Å; V37-G70 VanDerWaalsContact CG1-CA 3.42Å; V37-V71 CarbonylContact C-O 3.58Å; V37-V71 WeakPolarHBondContact CA-O 3.33Å; V37-T88 WeakPolarHBondContact CG2-OG1 3.43Å; V37-S98 CarbonylContact O-C 3.55Å; V37-S98 WeakPolarHBondContact O-CA 3.21Å; V37-Q99 HydrophobicContact CB-CG 4.19Å; V37-Q99 PolarHBondContact N-O 2.97Å; V37-Q99 PolarHBondContact O-N 2.73Å; V37-V101 HydrophobicContact CG2-CB 4.32Å; V37-V101 HydrophobicContact CG2-CG2 3.85Å
38K94.7Very high92.6Very high128 Ų12841.3 Ų41.356%0.55721%0.21SC*.EExtended strand (participates in β ladder)trans-85.2108.1159.2-178.5-179.8178.7179.80108.5G70 V71 T73 E97K38-G70 CarbonylContact O-C 3.55Å; K38-G70 WeakPolarHBondContact O-CA 3.15Å; K38-V71 PolarHBondContact N-O 3.03Å; K38-V71 PolarHBondContact O-N 3.25Å; K38-T73 HydrophobicContact CB-CG2 3.89Å; K38-E97 CarbonylContact C-O 3.37Å; K38-E97 WeakPolarHBondContact CA-O 3.1Å
39N94.8Very high93.1Very high6 Ų637.9 Ų37.93%0.03219%0.188CC..EExtended strand (participates in β ladder)trans-70.4143.4-174.7-63.8-21.8000110.9S68 S94 S96 E97 Q99 F327N39-S68 PolarHBondContact OD1-OG 3.4Å; N39-S94 PolarHBondContact ND2-O 2.75Å; N39-S96 WeakPolarHBondContact CB-O 3.31Å; N39-S96 PolarHBondContact ND2-O 3.15Å; N39-E97 PolarHBondContact N-O 2.8Å; N39-Q99 WeakPolarHBondContact OD1-CG 3.46Å; N39-Q99 PolarHBondContact OD1-NE2 2.89Å; N39-Q99 VanDerWaalsContact OD1-NE2 3.15Å; N39-F327 HydrophobicContact CB-CD2 3.75Å; N39-F327 HydrophobicContact CB-CE2 3.45Å; N39-F327 VanDerWaalsContact CB-CE2 3.45Å
40M95.1Very high93.5Very high50 Ų5034.8 Ų34.825%0.24618%0.175CC..EExtended strand (participates in β ladder)trans-115.4-29.1177.1-64.417460.700111.7V69 V71 A115 F327M40-V69 PolarHBondContact N-O 2.88Å; M40-V71 HydrophobicContact SD-CG2 3.91Å; M40-A115 HydrophobicContact CE-CB 4.31Å; M40-F327 WeakPolarHBondContact O-CB 3.5Å; M40-F327 PolarHBondContact O-N 3Å
41A96.2Very high93.6Very high0 Ų035.9 Ų35.90%018%0.181CC..EExtended strand (participates in β ladder)trans-155.4153.617800000110.6S68 V69 A119 V324 V325A41-S68 CarbonylContact O-C 3.55Å; A41-S68 VanDerWaalsContact O-CA 3.25Å; A41-S68 WeakPolarHBondContact O-CA 3.46Å; A41-S68 PolarHBondContact O-OG 2.91Å; A41-V69 PolarHBondContact N-O 3.25Å; A41-V69 PolarHBondContact O-N 3.06Å; A41-A119 HydrophobicContact CB-CB 3.71Å; A41-V324 HydrophobicContact CB-CG1 3.86Å; A41-V325 VanDerWaalsContact CA-O 3.26Å; A41-V325 WeakPolarHBondContact CA-O 3.32Å
42T96.2Very high93.9Very high0 Ų031.2 Ų31.20%016%0.155CC..EExtended strand (participates in β ladder)trans-136.3146.7170.2-177.10000110.2I44 D67 S94 Y95 F307 V324 V325 F327T42-I44 HydrophobicContact CG2-CD1 4.3Å; T42-D67 WeakPolarHBondContact CB-O 3.48Å; T42-D67 PolarHBondContact OG1-O 2.88Å; T42-S94 PolarHBondContact OG1-OG 3.22Å; T42-Y95 HydrophobicContact CG2-CD1 3.95Å; T42-Y95 HydrophobicContact CG2-CE1 4.07Å; T42-F307 HydrophobicContact CG2-CE1 3.87Å; T42-F307 HydrophobicContact CG2-CZ 4.25Å; T42-V324 CarbonylContact O-C 3.47Å; T42-V324 WeakPolarHBondContact O-CA 3.35Å; T42-V325 HydrophobicContact CG2-CB 4.1Å; T42-V325 PolarHBondContact N-O 3.47Å; T42-V325 PolarHBondContact O-N 3.3Å; T42-F327 HydrophobicContact CG2-CE1 3.54Å; T42-F327 HydrophobicContact CG2-CZ 3.55Å
43S96.3Very high94.1Very high0 Ų029.9 Ų29.90%015%0.151CC..EExtended strand (participates in β ladder)trans-89.2158.8167.2116.60000111.3N45 D67 A119 K322 L323S43-N45 PolarHBondContact OG-ND2 3.32Å; S43-D67 WeakPolarHBondContact CB-OD2 3.34Å; S43-D67 PolarHBondContact OG-OD2 2.85Å; S43-A119 VanDerWaalsContact CB-O 3.28Å; S43-A119 WeakPolarHBondContact CB-O 2.85Å; S43-K322 WeakPolarHBondContact OG-CE 3.37Å; S43-K322 PolarHBondContact OG-NZ 2.79Å; S43-L323 WeakPolarHBondContact CA-O 3.39Å
44I96.4Very high94.1Very high1 Ų133.3 Ų33.31%0.00517%0.172CC..EExtended strand (participates in β ladder)trans-112.7129178.1-45.9-67.7000108.4T42 Y95 F307 A310 I314 K322 L323 V325T42-I44 HydrophobicContact CG2-CD1 4.3Å; I44-Y95 HydrophobicContact CD1-CE1 3.57Å; I44-Y95 WeakPolarHBondContact CD1-OH 3.31Å; I44-F307 HydrophobicContact CD1-CD1 4.09Å; I44-F307 HydrophobicContact CD1-CE1 4.17Å; I44-A310 HydrophobicContact CD1-CB 4.25Å; I44-A310 HydrophobicContact CG1-CB 3.85Å; I44-A310 HydrophobicContact CG2-CB 4.42Å; I44-I314 HydrophobicContact CB-CG1 4.15Å; I44-I314 HydrophobicContact CG2-CG1 3.67Å; I44-K322 PolarHBondContact O-NZ 2.84Å; I44-L323 HydrophobicContact CB-CD2 4.09Å; I44-L323 HydrophobicContact CG1-CD2 3.5Å; I44-L323 VanDerWaalsContact CG1-CD2 3.5Å; I44-L323 PolarHBondContact N-O 3.13Å; I44-V325 HydrophobicContact CD1-CG2 3.86Å; I44-V325 HydrophobicContact CG1-CG2 4Å
45N94.9Very high93.8Very high3 Ų333.8 Ų33.82%0.01618%0.178CC..  trans-120.3156.1-173.8-61.7-79.3000111.6S43 V47 D48 D67 L123 K322S43-N45 PolarHBondContact OG-ND2 3.32Å; N45-V47 HydrophobicContact CB-CG1 3.75Å; N45-V47 PolarHBondContact O-N 2.95Å; N45-V47 VanDerWaalsContact O-N 3.13Å; N45-D48 WeakPolarHBondContact CA-OD2 3.48Å; N45-D48 WeakPolarHBondContact CB-OD2 3.47Å; N45-D48 PolarHBondContact N-OD2 2.81Å; N45-D48 VanDerWaalsContact O-CB 3.31Å; N45-D48 WeakPolarHBondContact O-CB 3.49Å; N45-D48 PolarHBondContact O-N 3.34Å; N45-D67 PolarHBondContact ND2-OD2 3.13Å; N45-L123 HydrophobicContact CB-CD1 4.38Å; N45-K322 VanDerWaalsContact CG-NZ 3.31Å; N45-K322 PolarHBondContact OD1-NZ 2.89Å
46P93.9Very high93.5Very high78 Ų7842 Ų4251%0.50621%0.214SC..Hα-helixtrans-58.1-24.4170.9-26.335.5000114.1D48 T49 K50 I314P46-D48 VanDerWaalsContact C-N 3.32Å; P46-T49 PolarHBondContact O-N 2.91Å; P46-T49 PolarHBondContact O-OG1 3.12Å; P46-K50 WeakPolarHBondContact O-CG 3.45Å; P46-K50 PolarHBondContact O-N 3.05Å; P46-I314 HydrophobicContact CG-CG2 4.33Å
47V92.2Very high93.2Very high37 Ų3744.5 Ų44.522%0.22424%0.24CC..Hα-helixtrans-68.5-32.8174.362.90000111.8N45 T49 K50 L51 F66 L123N45-V47 HydrophobicContact CB-CG1 3.75Å; N45-V47 PolarHBondContact O-N 2.95Å; N45-V47 VanDerWaalsContact O-N 3.13Å; V47-T49 VanDerWaalsContact C-N 3.34Å; V47-T49 PolarHBondContact O-N 3.26Å; V47-K50 PolarHBondContact O-N 3.17Å; V47-L51 HydrophobicContact CG2-CD1 3.87Å; V47-L51 HydrophobicContact CG2-CG 4.19Å; V47-L51 WeakPolarHBondContact O-CB 3.33Å; V47-L51 WeakPolarHBondContact O-CG 3.2Å; V47-L51 PolarHBondContact O-N 2.98Å; V47-F66 HydrophobicContact CG1-CD2 3.64Å; V47-F66 HydrophobicContact CG1-CE2 3.81Å; V47-F66 HydrophobicContact CG1-CG 4.37Å; V47-F66 HydrophobicContact CG2-CE2 4.31Å; V47-L123 HydrophobicContact CG1-CD1 4.12Å
48D94.1Very high92.6Very high0 Ų047 Ų470%026%0.256CS..Hα-helixtrans-62.2-44.2175.5-59.8-77.5000110.5N45 P46 L51 R52 L64 G65 F66 Y95N45-D48 WeakPolarHBondContact CA-OD2 3.48Å; N45-D48 WeakPolarHBondContact CB-OD2 3.47Å; N45-D48 PolarHBondContact N-OD2 2.81Å; N45-D48 VanDerWaalsContact O-CB 3.31Å; N45-D48 WeakPolarHBondContact O-CB 3.49Å; N45-D48 PolarHBondContact O-N 3.34Å; P46-D48 VanDerWaalsContact C-N 3.32Å; D48-L51 PolarHBondContact O-N 3.48Å; D48-R52 WeakPolarHBondContact O-CB 3.13Å; D48-R52 PolarHBondContact O-N 3.1Å; D48-L64 HydrophobicContact CB-CD1 4.28Å; D48-L64 VanDerWaalsContact O-CD1 3.25Å; D48-L64 WeakPolarHBondContact O-CD1 3.45Å; D48-G65 WeakPolarHBondContact OD1-CA 3.4Å; D48-G65 PolarHBondContact OD1-N 3.31Å; D48-F66 VanDerWaalsContact OD1-CD2 3.23Å; D48-F66 WeakPolarHBondContact OD1-CD2 3.29Å; D48-F66 WeakPolarHBondContact OD1-CE2 3.49Å; D48-Y95 WeakPolarHBondContact CB-OH 3.41Å; D48-Y95 VanDerWaalsContact CG-OH 3.3Å; D48-Y95 PolarHBondContact OD1-OH 3.2Å
49T95.4Very high91.8Very high11 Ų1146.7 Ų46.77%0.06727%0.266CS..Hα-helixtrans-67.9-41.2-179.167.20000111.7P46 V47 R52 Q53 I314 E315P46-T49 PolarHBondContact O-N 2.91Å; P46-T49 PolarHBondContact O-OG1 3.12Å; V47-T49 VanDerWaalsContact C-N 3.34Å; V47-T49 PolarHBondContact O-N 3.26Å; T49-R52 PolarHBondContact O-N 3.33Å; T49-Q53 WeakPolarHBondContact O-CG 3.24Å; T49-Q53 PolarHBondContact O-N 3.25Å; T49-Q53 VanDerWaalsContact O-N 3.16Å; T49-I314 HydrophobicContact CG2-CB 3.98Å; T49-I314 HydrophobicContact CG2-CG2 3.68Å; T49-E315 WeakPolarHBondContact CB-OE1 3.43Å; T49-E315 HydrophobicContact CG2-CG 3.95Å
50K92.7Very high91.3Very high123 Ų12352.5 Ų52.554%0.53529%0.294SS..Hα-helixtrans-60.8-49.6175.5-70.5174.9-175.8-174.20111.6P46 V47 R52 Q53 T54P46-K50 WeakPolarHBondContact O-CG 3.45Å; P46-K50 PolarHBondContact O-N 3.05Å; V47-K50 PolarHBondContact O-N 3.17Å; K50-R52 VanDerWaalsContact C-N 3.33Å; K50-R52 PolarHBondContact O-N 3.38Å; K50-Q53 PolarHBondContact O-N 3.38Å; K50-Q53 VanDerWaalsContact O-N 3.11Å; K50-T54 PolarHBondContact O-N 3.39Å; K50-T54 PolarHBondContact O-OG1 3.29Å
51L91.1Very high90.9Very high68 Ų6851.6 Ų51.636%0.35629%0.291SS..Hα-helixtrans-66.4-35.7179.9-69.8174.6000112.3V47 D48 Q53 T54 G55 L64 F66V47-L51 HydrophobicContact CG2-CD1 3.87Å; V47-L51 HydrophobicContact CG2-CG 4.19Å; V47-L51 WeakPolarHBondContact O-CB 3.33Å; V47-L51 WeakPolarHBondContact O-CG 3.2Å; V47-L51 PolarHBondContact O-N 2.98Å; D48-L51 PolarHBondContact O-N 3.48Å; L51-Q53 PolarHBondContact O-N 3.39Å; L51-T54 PolarHBondContact O-N 2.82Å; L51-G55 PolarHBondContact O-N 2.99Å; L51-L64 HydrophobicContact CB-CD2 3.95Å; L51-F66 HydrophobicContact CD1-CE2 3.86Å; L51-F66 HydrophobicContact CD1-CZ 3.41Å; L51-F66 VanDerWaalsContact CD1-CZ 3.41Å
52R95.2Very high90.6Very high0 Ų053.9 Ų53.90%030%0.302CS..Hα-helixtrans-57.6-38.3171.5-166.5-157.372.2-130.5-7112F8 G11 F12 F20 D48 T49 K50 L64 H311 E315F8-R52 HydrophobicContact CD1-CG 4.18Å; F8-R52 HydrophobicContact CE1-CB 4.23Å; F8-R52 HydrophobicContact CE1-CG 3.81Å; F8-R52 HydrophobicContact CE2-CG 4.42Å; F8-R52 HydrophobicContact CZ-CB 4.12Å; F8-R52 HydrophobicContact CZ-CG 3.97Å; G11-R52 CarbonylContact C-O 3.52Å; G11-R52 WeakPolarHBondContact CA-O 3.37Å; F12-R52 HydrophobicContact CD1-CG 3.99Å; F12-R52 HydrophobicContact CE1-CG 3.62Å; F12-R52 HydrophobicContact CZ-CG 4.07Å; F12-R52 PolarHBondContact N-O 3.02Å; F12-R52 PolarHBondContact O-NE 2.95Å; F12-R52 PolarHBondContact O-NH2 3.29Å; F20-R52 HydrophobicContact CE1-CG 4.5Å; F20-R52 HydrophobicContact CZ-CG 4.04Å; D48-R52 WeakPolarHBondContact O-CB 3.13Å; D48-R52 PolarHBondContact O-N 3.1Å; T49-R52 PolarHBondContact O-N 3.33Å; K50-R52 VanDerWaalsContact C-N 3.33Å; K50-R52 PolarHBondContact O-N 3.38Å; R52-L64 HydrophobicContact CB-CD1 3.93Å; R52-H311 PolarHBondContact NH1-ND1 3Å; R52-E315 IonicContact CZ-OE1 3.12Å; R52-E315 IonicContact NH1-OE1 2.76Å; R52-E315 PolarHBondContact NH1-OE1 3.38Å; R52-E315 IonicContact NH2-OE1 2.65Å; R52-E315 PolarHBondContact NH2-OE1 2.89Å; R52-E315 IonicContact NH2-OE2 3.69Å
53Q96Very high90.4Very high83 Ų8355.7 Ų55.739%0.38831%0.313SS..Hα-helixtrans-76.7-25.2-178.6-68.1178.346.500113.4T49 K50 L51 E315T49-Q53 WeakPolarHBondContact O-CG 3.24Å; T49-Q53 PolarHBondContact O-N 3.25Å; T49-Q53 VanDerWaalsContact O-N 3.16Å; K50-Q53 PolarHBondContact O-N 3.38Å; K50-Q53 VanDerWaalsContact O-N 3.11Å; L51-Q53 PolarHBondContact O-N 3.39Å; Q53-E315 PolarHBondContact NE2-OE1 3.02Å; Q53-E315 VanDerWaalsContact NE2-OE1 3.15Å
54T91.5Very high90.2Very high103 Ų10356.3 Ų56.363%0.63232%0.316SS*.Hα-helixtrans-107.8-2.2-173.760.90000114.7K50 L51 K56K50-T54 PolarHBondContact O-N 3.39Å; K50-T54 PolarHBondContact O-OG1 3.29Å; L51-T54 PolarHBondContact O-N 2.82Å; T54-K56 PolarHBondContact O-N 3.29Å
55G86.1Confident90Very high15 Ų1556.3 Ų56.316%0.15532%0.316CS..PPolyproline II helixtrans-55.2124.5-17900000112.9G11 L51G11-G55 WeakPolarHBondContact CA-O 3.49Å; G11-G55 PolarHBondContact N-O 2.91Å; L51-G55 PolarHBondContact O-N 2.99Å
56K86.1Confident89.9Confident172 Ų17256.6 Ų56.675%0.74832%0.317SS*.PPolyproline II helixtrans-75.7144.1175.6-66.5-176.8-179.6177.80109.9T54 T58 H62T54-K56 PolarHBondContact O-N 3.29Å; K56-T58 PolarHBondContact O-N 2.84Å; K56-H62 PolarHBondContact O-CE1 3.4Å; K56-H62 PolarHBondContact O-NE2 2.89Å
57G85.5Confident89.8Confident55 Ų5552.9 Ų52.957%0.56729%0.293SS*.PPolyproline II helixtrans-58.5119.8173.500000111.4E9E9-G57 WeakPolarHBondContact O-CA 3.23Å
58T80.3Confident89.8Confident54 Ų5451.1 Ų51.133%0.33128%0.283SS..  trans-130.5156.117748.20000110.8E9 K56 Q60 H62E9-T58 PolarHBondContact O-N 3.13Å; K56-T58 PolarHBondContact O-N 2.84Å; T58-Q60 PolarHBondContact O-N 3.4Å; T58-Q60 PolarHBondContact OG1-O 2.98Å; T58-H62 PolarHBondContact OG1-NE2 2.8Å
59P78.6Confident89.8Confident121 Ų12151.1 Ų51.179%0.78628%0.283SS*.SBendtrans-63.9-22.2174.4-22.133.8000113.8
60Q82.9Confident89.8Confident129 Ų12950.6 Ų50.660%0.60328%0.279SS*.SBendtrans-97.1142.3174.4-65.475.918.300109.7T58T58-Q60 PolarHBondContact O-N 3.4Å; T58-Q60 PolarHBondContact OG1-O 2.98Å
61P87Confident89.8Confident30 Ų3046.9 Ų46.920%0.19527%0.267CS..PPolyproline II helixtrans-67.3143.8175.529.7-35.6000110.7Y23 V25 V63Y23-P61 HydrophobicContact CD1-CB 4.1Å; Y23-P61 HydrophobicContact CD1-CG 4.04Å; Y23-P61 HydrophobicContact CD2-CB 3.64Å; Y23-P61 HydrophobicContact CD2-CG 3.98Å; Y23-P61 HydrophobicContact CE1-CB 4.17Å; Y23-P61 HydrophobicContact CE2-CB 3.68Å; Y23-P61 HydrophobicContact CE2-CG 4.48Å; Y23-P61 HydrophobicContact CG-CB 3.86Å; Y23-P61 HydrophobicContact CG-CG 3.74Å; V25-P61 HydrophobicContact CG1-CG 4.1Å; P61-V63 PolarHBondContact O-N 3.2Å
62H90Very high90Very high49 Ų4943.7 Ų43.723%0.22725%0.25CC..EExtended strand (participates in β ladder)trans-72.9120.2165.7-65.7-81.9000108.8G7 F8 E9 K56 T58G7-H62 CarbonylContact C-O 3.48Å; G7-H62 WeakPolarHBondContact CA-O 3.3Å; F8-H62 HydrophobicContact CD1-CB 4.32Å; F8-H62 HydrophobicContact CD2-CB 4.08Å; F8-H62 HydrophobicContact CE1-CB 3.85Å; F8-H62 HydrophobicContact CE2-CB 3.6Å; F8-H62 AromaticContact CE2-CD2 3.85Å; F8-H62 AromaticContact CE2-CG 3.82Å; F8-H62 HydrophobicContact CG-CB 4.4Å; F8-H62 HydrophobicContact CZ-CB 3.44Å; F8-H62 VanDerWaalsContact CZ-CB 3.44Å; F8-H62 PolarHBondContact N-O 2.84Å; F8-H62 WeakPolarHBondContact O-CB 3.44Å; F8-H62 PolarHBondContact O-CD2 3.24Å; F8-H62 PolarHBondContact O-N 3.04Å; E9-H62 PolarHBondContact O-CD2 3.09Å; K56-H62 PolarHBondContact O-CE1 3.4Å; K56-H62 PolarHBondContact O-NE2 2.89Å; T58-H62 PolarHBondContact OG1-NE2 2.8Å
63V91.7Very high89.8Confident38 Ų3846.1 Ų46.123%0.2327%0.265CS..EExtended strand (participates in β ladder)trans-110.7118173.5-168.40000108V5 P61 G93 Y95V5-V63 HydrophobicContact CB-CG1 3.99Å; V5-V63 HydrophobicContact CB-CG2 3.9Å; V5-V63 HydrophobicContact CG1-CG1 4.32Å; V5-V63 HydrophobicContact CG1-CG2 4.28Å; V5-V63 HydrophobicContact CG2-CG2 3.67Å; P61-V63 PolarHBondContact O-N 3.2Å; V63-G93 WeakPolarHBondContact CG1-O 2.93Å; V63-Y95 WeakPolarHBondContact CG1-O 3.13Å
64L93.5Very high89.6Confident13 Ų1346.1 Ų46.17%0.06827%0.265CS..  trans-94.4-167.4-177.2-58.9-179.7000111.4F8 D48 L51 R52 G93 S94 Y95F8-L64 HydrophobicContact CE1-CD1 3.62Å; F8-L64 HydrophobicContact CE1-CD2 4.39Å; F8-L64 HydrophobicContact CE1-CG 3.8Å; F8-L64 HydrophobicContact CZ-CD1 4.07Å; F8-L64 HydrophobicContact CZ-CD2 4.36Å; F8-L64 HydrophobicContact CZ-CG 4.24Å; D48-L64 HydrophobicContact CB-CD1 4.28Å; D48-L64 VanDerWaalsContact O-CD1 3.25Å; D48-L64 WeakPolarHBondContact O-CD1 3.45Å; L51-L64 HydrophobicContact CB-CD2 3.95Å; R52-L64 HydrophobicContact CB-CD1 3.93Å; L64-G93 CarbonylContact O-C 3.59Å; L64-G93 WeakPolarHBondContact O-CA 3.26Å; L64-G93 PolarHBondContact O-N 2.99Å; L64-S94 PolarHBondContact O-N 3.5Å; L64-Y95 HydrophobicContact CB-CD2 3.94Å; L64-Y95 HydrophobicContact CB-CE2 3.79Å; L64-Y95 HydrophobicContact CB-CG 4.43Å; L64-Y95 PolarHBondContact O-N 2.84Å
65G91.9Very high89.7Confident0 Ų043.9 Ų43.90%025%0.249CC..  trans96126.3-178.500000112D48 G93 S94 Y95D48-G65 WeakPolarHBondContact OD1-CA 3.4Å; D48-G65 PolarHBondContact OD1-N 3.31Å; G65-G93 PolarHBondContact O-N 2.84Å; G65-G93 VanDerWaalsContact O-N 3.11Å; G65-S94 WeakPolarHBondContact CA-OG 3Å; G65-S94 PolarHBondContact O-N 2.87Å; G65-Y95 VanDerWaalsContact CA-CE1 3.43Å
66F91.3Very high89.9Confident9 Ų943.6 Ų43.64%0.03925%0.246CC..SBendtrans-125-4.2-174.6-62.1-80.8000113.5V47 D48 L51 Y92 L123 F263V47-F66 HydrophobicContact CG1-CD2 3.64Å; V47-F66 HydrophobicContact CG1-CE2 3.81Å; V47-F66 HydrophobicContact CG1-CG 4.37Å; V47-F66 HydrophobicContact CG2-CE2 4.31Å; D48-F66 VanDerWaalsContact OD1-CD2 3.23Å; D48-F66 WeakPolarHBondContact OD1-CD2 3.29Å; D48-F66 WeakPolarHBondContact OD1-CE2 3.49Å; L51-F66 HydrophobicContact CD1-CE2 3.86Å; L51-F66 HydrophobicContact CD1-CZ 3.41Å; L51-F66 VanDerWaalsContact CD1-CZ 3.41Å; F66-Y92 HydrophobicContact CD1-CD1 4.17Å; F66-Y92 HydrophobicContact CD1-CE1 4.2Å; F66-Y92 AromaticContact CE1-CD1 3.49Å; F66-Y92 HydrophobicContact CE1-CD1 3.49Å; F66-Y92 VanDerWaalsContact CE1-CD1 3.49Å; F66-Y92 AromaticContact CE1-CE1 3.33Å; F66-Y92 HydrophobicContact CE1-CE1 3.33Å; F66-Y92 HydrophobicContact CE1-CG 4.47Å; F66-Y92 HydrophobicContact CZ-CD1 4.22Å; F66-Y92 HydrophobicContact CZ-CE1 4.13Å; F66-L123 HydrophobicContact CB-CD1 3.68Å; F66-L123 HydrophobicContact CG-CD1 4.34Å; F66-F263 HydrophobicContact CB-CZ 4.45Å; F66-F263 AromaticContact CD1-CE1 3.39Å; F66-F263 HydrophobicContact CD1-CE1 3.39Å; F66-F263 AromaticContact CD1-CZ 3.55Å; F66-F263 HydrophobicContact CD1-CZ 3.55Å; F66-F263 AromaticContact CE1-CE1 3.76Å; F66-F263 HydrophobicContact CE1-CE1 3.76Å; F66-F263 AromaticContact CE1-CZ 3.85Å; F66-F263 HydrophobicContact CE1-CZ 3.85Å; F66-F263 HydrophobicContact CG-CE1 4.2Å; F66-F263 HydrophobicContact CG-CZ 4Å
67D93.3Very high90Very high0 Ų040.8 Ų40.80%025%0.248CC..  trans-123143.3175.3-67.2-56.8000108.3T42 S43 N45 S94 A119 P122 L123T42-D67 WeakPolarHBondContact CB-O 3.48Å; T42-D67 PolarHBondContact OG1-O 2.88Å; S43-D67 WeakPolarHBondContact CB-OD2 3.34Å; S43-D67 PolarHBondContact OG-OD2 2.85Å; N45-D67 PolarHBondContact ND2-OD2 3.13Å; D67-S94 WeakPolarHBondContact O-CB 3.33Å; D67-S94 PolarHBondContact O-OG 3.28Å; D67-A119 WeakPolarHBondContact CB-O 3.25Å; D67-P122 VanDerWaalsContact OD1-CB 3.31Å; D67-P122 WeakPolarHBondContact OD1-CB 3.4Å; D67-P122 WeakPolarHBondContact OD1-CD 3.47Å; D67-L123 WeakPolarHBondContact OD1-CB 3.49Å; D67-L123 PolarHBondContact OD1-N 2.88Å
68S92Very high90.3Very high1 Ų142.7 Ų42.71%0.00724%0.242CC..  trans-154.4156.8167.1-168.70000110N39 A41 T89 K90N39-S68 PolarHBondContact OD1-OG 3.4Å; A41-S68 CarbonylContact O-C 3.55Å; A41-S68 VanDerWaalsContact O-CA 3.25Å; A41-S68 WeakPolarHBondContact O-CA 3.46Å; A41-S68 PolarHBondContact O-OG 2.91Å; S68-T89 WeakPolarHBondContact O-CA 3.23Å; S68-T89 WeakPolarHBondContact O-CB 3.38Å; S68-T89 WeakPolarHBondContact O-CG2 3.23Å; S68-K90 PolarHBondContact O-N 3.3Å
69V94.5Very high90.6Very high0 Ų040.9 Ų40.90%023%0.231CC..EExtended strand (participates in β ladder)trans-122.8138.3153.6169.50000107.5M40 A41 T88 T89 L109 A115 A118 A119M40-V69 PolarHBondContact N-O 2.88Å; A41-V69 PolarHBondContact N-O 3.25Å; A41-V69 PolarHBondContact O-N 3.06Å; V69-T88 CarbonylContact C-O 3.53Å; V69-T88 VanDerWaalsContact CA-O 3.23Å; V69-T88 WeakPolarHBondContact CA-O 3.5Å; V69-T89 HydrophobicContact CG2-CG2 3.63Å; V69-L109 HydrophobicContact CG1-CD2 3.61Å; V69-L109 HydrophobicContact CG2-CD2 4.1Å; V69-A115 HydrophobicContact CG1-CB 3.85Å; V69-A115 WeakPolarHBondContact CG2-O 3.49Å; V69-A118 HydrophobicContact CG2-CB 3.83Å; V69-A119 HydrophobicContact CB-CB 4.23Å; V69-A119 HydrophobicContact CG2-CB 3.9Å
70G93.7Very high90.9Very high0 Ų044.3 Ų44.30%023%0.233CC..EExtended strand (participates in β ladder)trans-166.1-174.2175.200000113.4V37 K38 R87 T88V37-G70 VanDerWaalsContact CG1-C 3.41Å; V37-G70 VanDerWaalsContact CG1-CA 3.42Å; K38-G70 CarbonylContact O-C 3.55Å; K38-G70 WeakPolarHBondContact O-CA 3.15Å; G70-R87 CarbonylContact O-C 3.57Å; G70-R87 WeakPolarHBondContact O-CA 3.49Å; G70-T88 PolarHBondContact N-O 3.37Å; G70-T88 PolarHBondContact O-N 3.16Å; G70-T88 PolarHBondContact O-OG1 3.05Å
71V94.6Very high90.9Very high44 Ų4442 Ų4227%0.26722%0.222SC..EExtended strand (participates in β ladder)trans-105.3131.4-177-1800000110.8V37 K38 M40 T73 D86 R87V37-V71 CarbonylContact C-O 3.58Å; V37-V71 WeakPolarHBondContact CA-O 3.33Å; K38-V71 PolarHBondContact N-O 3.03Å; K38-V71 PolarHBondContact O-N 3.25Å; M40-V71 HydrophobicContact SD-CG2 3.91Å; V71-T73 PolarHBondContact O-N 2.9Å; V71-D86 CarbonylContact C-O 3.52Å; V71-D86 WeakPolarHBondContact CA-O 3.3Å; V71-R87 HydrophobicContact CG2-CG 4.23Å
72V93.4Very high90.7Very high1 Ų140.9 Ų40.91%0.00621%0.214CC..EExtended strand (participates in β ladder)trans-65.2124.1174.31790000110L35 V36 L75 G85 D86 T88L35-V72 HydrophobicContact CD1-CG2 4.42Å; L35-V72 HydrophobicContact CD2-CG2 4.39Å; V36-V72 CarbonylContact O-C 3.57Å; V36-V72 WeakPolarHBondContact O-CA 3.25Å; V72-L75 HydrophobicContact CG1-CD2 3.66Å; V72-L75 HydrophobicContact CG1-CG 3.96Å; V72-G85 PolarHBondContact O-N 3Å; V72-D86 HydrophobicContact CG2-CB 4.17Å; V72-D86 WeakPolarHBondContact CG2-O 3.32Å; V72-D86 PolarHBondContact N-O 3.04Å; V72-T88 HydrophobicContact CG2-CG2 3.33Å
73T92.8Very high90.1Very high51 Ų5145 Ų4531%0.31323%0.234SC..EExtended strand (participates in β ladder)trans-111.8-22.5177.5620000113.2V36 K38 V71V36-T73 WeakPolarHBondContact CB-OG1 3.46Å; V36-T73 VanDerWaalsContact CG1-OG1 3.23Å; V36-T73 WeakPolarHBondContact CG1-OG1 3.42Å; V36-T73 PolarHBondContact O-N 2.93Å; V36-T73 PolarHBondContact O-OG1 2.95Å; K38-T73 HydrophobicContact CB-CG2 3.89Å; V71-T73 PolarHBondContact O-N 2.9Å
74Q91.8Very high89.6Confident84 Ų8447.8 Ų47.839%0.39325%0.251SS..EExtended strand (participates in β ladder)trans-147.8152.9175.6-59.1-171.9-3.400110.9M1 L30 L35 V36M1-Q74 HydrophobicContact CE-CG 4.33Å; M1-Q74 VanDerWaalsContact CE-NE2 3.26Å; L30-Q74 HydrophobicContact CD2-CB 3.95Å; L35-Q74 CarbonylContact C-O 3.56Å; L35-Q74 VanDerWaalsContact CA-O 3.23Å; L35-Q74 WeakPolarHBondContact CA-O 3.35Å; L35-Q74 VanDerWaalsContact CB-O 3.31Å; L35-Q74 WeakPolarHBondContact CB-O 3.42Å; V36-Q74 HydrophobicContact CB-CB 3.95Å; V36-Q74 HydrophobicContact CB-CG 4.33Å; V36-Q74 HydrophobicContact CG2-CB 3.85Å; V36-Q74 HydrophobicContact CG2-CG 4.26Å; V36-Q74 PolarHBondContact N-O 2.94Å
75L91.8Very high88.3Confident56 Ų5649.1 Ų49.129%0.29327%0.268SS..EExtended strand (participates in β ladder)trans-127.8140.2179.4-67.2168.2000110.4L35 V72 V79 L82 V84L35-L75 HydrophobicContact CB-CD2 4Å; V72-L75 HydrophobicContact CG1-CD2 3.66Å; V72-L75 HydrophobicContact CG1-CG 3.96Å; L75-V79 HydrophobicContact CB-CB 4.42Å; L75-V79 HydrophobicContact CD2-CB 4Å; L75-V79 HydrophobicContact CD2-CG1 3.67Å; L75-L82 VanDerWaalsContact CD1-O 3.25Å; L75-L82 WeakPolarHBondContact CD1-O 3.37Å; L75-L82 HydrophobicContact CD2-CB 4Å; L75-V84 HydrophobicContact CD1-CG2 4.28Å; L75-V84 HydrophobicContact CG-CG2 4.37Å
76G90.8Very high87.1Confident9 Ų950.8 Ų50.89%0.09328%0.277CS..  trans-68.6154.8164.700000110.7N31 K32 D34 E78 V79N31-G76 WeakPolarHBondContact O-CA 3.26Å; K32-G76 CarbonylContact O-C 3.1Å; K32-G76 WeakPolarHBondContact O-CA 3.39Å; D34-G76 WeakPolarHBondContact O-CA 3.4Å; D34-G76 PolarHBondContact O-N 3.49Å; G76-E78 PolarHBondContact O-N 3.04Å; G76-V79 PolarHBondContact O-N 2.99Å; G76-V79 VanDerWaalsContact O-N 3.08Å
77S89.4Confident86.1Confident112 Ų11253.2 Ų53.278%0.78329%0.286SS*.THydrogen-bonded Turntrans-64.5-15.2-170.658.80000115.6K32K32-S77 PolarHBondContact O-N 2.86Å
78E90.7Very high85.2Confident96 Ų9653.2 Ų53.245%0.44929%0.286SS..THydrogen-bonded Turntrans-1061.5178-70.5-177.5-175.500113.4K32 G76 K80K32-E78 HydrophobicContact CB-CB 4.19Å; K32-E78 HydrophobicContact CB-CG 3.95Å; K32-E78 VanDerWaalsContact CD-CD 3.42Å; K32-E78 HydrophobicContact CD-CG 4.36Å; K32-E78 VanDerWaalsContact CD-OE1 3.31Å; K32-E78 WeakPolarHBondContact CD-OE1 3.33Å; K32-E78 WeakPolarHBondContact CD-OE2 3.02Å; K32-E78 WeakPolarHBondContact CE-OE2 3.37Å; K32-E78 HydrophobicContact CG-CB 4.35Å; K32-E78 HydrophobicContact CG-CG 4.15Å; K32-E78 WeakPolarHBondContact CG-OE2 3.33Å; K32-E78 IonicContact NZ-OE1 2.75Å; K32-E78 PolarHBondContact NZ-OE1 3.25Å; K32-E78 IonicContact NZ-OE2 2.8Å; K32-E78 PolarHBondContact NZ-OE2 2.91Å; K32-E78 WeakPolarHBondContact O-CA 3.21Å; K32-E78 WeakPolarHBondContact O-CB 3.23Å; K32-E78 PolarHBondContact O-N 3.08Å; G76-E78 PolarHBondContact O-N 3.04Å; E78-K80 PolarHBondContact O-N 2.87Å
79V87.7Confident83.9Confident15 Ų1553.4 Ų53.49%0.09129%0.287CS..  trans-78.4111.7175.6-1710000109.3D34 L75 G76 L82 S103D34-V79 WeakPolarHBondContact O-CG2 3.4Å; L75-V79 HydrophobicContact CB-CB 4.42Å; L75-V79 HydrophobicContact CD2-CB 4Å; L75-V79 HydrophobicContact CD2-CG1 3.67Å; G76-V79 PolarHBondContact O-N 2.99Å; G76-V79 VanDerWaalsContact O-N 3.08Å; V79-L82 HydrophobicContact CG1-CB 3.95Å; V79-L82 HydrophobicContact CG1-CD1 4.21Å; V79-L82 HydrophobicContact CG1-CG 4.34Å; V79-S103 WeakPolarHBondContact CG2-OG 3.33Å
80K84.6Confident82Confident193 Ų19353.9 Ų53.984%0.83929%0.289SS*.  trans-113.7-18.4-174.4-64.8-177.7-178.9-179.30114.2E78E78-K80 PolarHBondContact O-N 2.87Å
81H82.6Confident80.2Confident82 Ų8258.3 Ų58.338%0.3831%0.306SS..SBendtrans-95.4-1.9-175.960.5-65.1000113.4S103 K108H81-S103 PolarHBondContact CE1-O 2.9Å; H81-S103 PolarHBondContact NE2-O 3.23Å; H81-K108 WeakPolarHBondContact O-CE 3.3Å; H81-K108 PolarHBondContact O-NZ 2.71Å
82L83.1Confident78.2Confident5 Ų561.5 Ų61.53%0.02631%0.314CS..  trans-130.4150.8-179.1-61.9171.2000110.3L35 L75 V79 D86 T88 V106 K108L35-L82 HydrophobicContact CD2-CD1 3.19Å; L75-L82 VanDerWaalsContact CD1-O 3.25Å; L75-L82 WeakPolarHBondContact CD1-O 3.37Å; L75-L82 HydrophobicContact CD2-CB 4Å; V79-L82 HydrophobicContact CG1-CB 3.95Å; V79-L82 HydrophobicContact CG1-CD1 4.21Å; V79-L82 HydrophobicContact CG1-CG 4.34Å; L82-D86 WeakPolarHBondContact CA-OD2 3.29Å; L82-T88 HydrophobicContact CD1-CG2 4.38Å; L82-T88 HydrophobicContact CD2-CG2 4.22Å; L82-V106 HydrophobicContact CD1-CB 4.35Å; L82-V106 HydrophobicContact CD1-CG1 3.83Å; L82-V106 HydrophobicContact CD2-CG1 4.43Å; L82-K108 HydrophobicContact CD2-CD 4.25Å; L82-K108 HydrophobicContact CD2-CG 3.44Å; L82-K108 VanDerWaalsContact CD2-CG 3.44Å
83E77.8Confident77Confident136 Ų13662 Ų6264%0.63632%0.319SS*.  trans-123.9155.4176.3-64.1-177172.600110.4G85 D86E83-G85 PolarHBondContact O-N 2.86Å; E83-D86 PolarHBondContact N-OD2 2.59Å; E83-D86 WeakPolarHBondContact O-CB 3.32Å; E83-D86 PolarHBondContact O-N 2.98Å; E83-D86 VanDerWaalsContact O-N 3.11Å
84V80.8Confident76.8Confident96 Ų9659.6 Ų59.658%0.58230%0.304SS*.THydrogen-bonded Turntrans-61.4130172.1172.30000108.8L75L75-V84 HydrophobicContact CD1-CG2 4.28Å; L75-V84 HydrophobicContact CG-CG2 4.37Å
85G66Low77Confident42 Ų4255.6 Ų55.643%0.43329%0.285SS..THydrogen-bonded Turntrans101.9-16.3-17300000114.5V72 E83V72-G85 PolarHBondContact O-N 3Å; E83-G85 PolarHBondContact O-N 2.86Å
86D66.9Low77.1Confident34 Ų3453.1 Ų53.118%0.18227%0.273CS..  trans-62.5142.9174.5-80.5-26.9000111.2V71 V72 L82 E83 K108V71-D86 CarbonylContact C-O 3.52Å; V71-D86 WeakPolarHBondContact CA-O 3.3Å; V72-D86 HydrophobicContact CG2-CB 4.17Å; V72-D86 WeakPolarHBondContact CG2-O 3.32Å; V72-D86 PolarHBondContact N-O 3.04Å; L82-D86 WeakPolarHBondContact CA-OD2 3.29Å; E83-D86 PolarHBondContact N-OD2 2.59Å; E83-D86 WeakPolarHBondContact O-CB 3.32Å; E83-D86 PolarHBondContact O-N 2.98Å; E83-D86 VanDerWaalsContact O-N 3.11Å; D86-K108 IonicContact OD1-NZ 3.87Å; D86-K108 WeakPolarHBondContact OD2-CE 3.35Å; D86-K108 IonicContact OD2-NZ 2.95Å; D86-K108 PolarHBondContact OD2-NZ 2.9Å
87R70.7Confident77.3Confident60 Ų6055.9 Ų55.923%0.22628%0.283CS..EExtended strand (participates in β ladder)trans-85.3140.1167.5-71.8177.8169.9179-1.8110.7G70 V71 K108 L109G70-R87 CarbonylContact O-C 3.57Å; G70-R87 WeakPolarHBondContact O-CA 3.49Å; V71-R87 HydrophobicContact CG2-CG 4.23Å; R87-K108 CarbonylContact O-C 3.54Å; R87-K108 WeakPolarHBondContact O-CA 3.46Å; R87-L109 HydrophobicContact CB-CB 3.82Å; R87-L109 PolarHBondContact O-N 3.5Å
88T73.9Confident77.5Confident1 Ų151.3 Ų51.31%0.00625%0.251CS..EExtended strand (participates in β ladder)trans-144.6158.9-169.154.80000113.9V37 V69 G70 V72 L82 V106 A107V37-T88 WeakPolarHBondContact CG2-OG1 3.43Å; V69-T88 CarbonylContact C-O 3.53Å; V69-T88 VanDerWaalsContact CA-O 3.23Å; V69-T88 WeakPolarHBondContact CA-O 3.5Å; G70-T88 PolarHBondContact N-O 3.37Å; G70-T88 PolarHBondContact O-N 3.16Å; G70-T88 PolarHBondContact O-OG1 3.05Å; V72-T88 HydrophobicContact CG2-CG2 3.33Å; L82-T88 HydrophobicContact CD1-CG2 4.38Å; L82-T88 HydrophobicContact CD2-CG2 4.22Å; T88-V106 HydrophobicContact CG2-CG1 3.29Å; T88-A107 WeakPolarHBondContact CA-O 3.41Å
89T65.1Low77.4Confident5 Ų547.1 Ų47.13%0.03123%0.232CC..EExtended strand (participates in β ladder)trans-114.9141.5175.351.70000115.5S68 V69 V106 P122S68-T89 WeakPolarHBondContact O-CA 3.23Å; S68-T89 WeakPolarHBondContact O-CB 3.38Å; S68-T89 WeakPolarHBondContact O-CG2 3.23Å; V69-T89 HydrophobicContact CG2-CG2 3.63Å; T89-V106 WeakPolarHBondContact O-CG2 3.43Å; T89-P122 HydrophobicContact CG2-CG 4.05Å
90K54.7Low77.5Confident9 Ų947.1 Ų47.14%0.03923%0.232CC..  trans82135.1160.6-169.8-176.2176.9-176.30123.1S68 V101 I105 I126 L279S68-K90 PolarHBondContact O-N 3.3Å; K90-V101 WeakPolarHBondContact O-CG1 3.32Å; K90-V101 VanDerWaalsContact O-CG2 3.3Å; K90-V101 WeakPolarHBondContact O-CG2 3.45Å; K90-I105 HydrophobicContact CD-CB 4.39Å; K90-I105 HydrophobicContact CD-CD1 4.13Å; K90-I105 HydrophobicContact CG-CD1 4.18Å; K90-I126 HydrophobicContact CD-CD1 4.1Å; K90-L279 HydrophobicContact CD-CD1 4.47Å
91R55.8Low77.8Confident94 Ų9438 Ų3836%0.35519%0.192SC..  trans180173.5131.9-165.6171.4178.7-168.70.7107.1D34 Q99 V101 I105D34-R91 IonicContact OD1-NH1 3.8Å; R91-Q99 PolarHBondContact O-OE1 3.4Å; R91-V101 HydrophobicContact CB-CB 4.16Å; R91-V101 HydrophobicContact CB-CG1 4.14Å; R91-V101 HydrophobicContact CB-CG2 3.77Å; R91-I105 HydrophobicContact CB-CD1 4.13Å; R91-I105 HydrophobicContact CG-CD1 4.07Å
92Y52.8Low78.2Confident111 Ų11134.7 Ų34.744%0.43518%0.177SC..THydrogen-bonded Turntrans-45.3141.6173.7-71.5-87.6000113.8F66F66-Y92 HydrophobicContact CD1-CD1 4.17Å; F66-Y92 HydrophobicContact CD1-CE1 4.2Å; F66-Y92 AromaticContact CE1-CD1 3.49Å; F66-Y92 HydrophobicContact CE1-CD1 3.49Å; F66-Y92 VanDerWaalsContact CE1-CD1 3.49Å; F66-Y92 AromaticContact CE1-CE1 3.33Å; F66-Y92 HydrophobicContact CE1-CE1 3.33Å; F66-Y92 HydrophobicContact CE1-CG 4.47Å; F66-Y92 HydrophobicContact CZ-CD1 4.22Å; F66-Y92 HydrophobicContact CZ-CE1 4.13Å
93G68.2Low78.7Confident11 Ų1134.7 Ų34.711%0.11318%0.178CC..THydrogen-bonded Turntrans86.622.2170.400000113V63 L64 G65 Y95 S96V63-G93 WeakPolarHBondContact CG1-O 2.93Å; L64-G93 CarbonylContact O-C 3.59Å; L64-G93 WeakPolarHBondContact O-CA 3.26Å; L64-G93 PolarHBondContact O-N 2.99Å; G65-G93 PolarHBondContact O-N 2.84Å; G65-G93 VanDerWaalsContact O-N 3.11Å; G93-Y95 PolarHBondContact O-N 2.69Å; G93-S96 WeakPolarHBondContact O-CB 2.92Å; G93-S96 PolarHBondContact O-N 2.56Å
94S88.3Confident79.4Confident0 Ų032.4 Ų32.40%016%0.163CC..  trans-65.3-5.9-178.964.80000114N39 T42 L64 G65 D67 S96 Q99 F327N39-S94 PolarHBondContact ND2-O 2.75Å; T42-S94 PolarHBondContact OG1-OG 3.22Å; L64-S94 PolarHBondContact O-N 3.5Å; G65-S94 WeakPolarHBondContact CA-OG 3Å; G65-S94 PolarHBondContact O-N 2.87Å; D67-S94 WeakPolarHBondContact O-CB 3.33Å; D67-S94 PolarHBondContact O-OG 3.28Å; S94-S96 PolarHBondContact O-N 2.89Å; S94-Q99 VanDerWaalsContact CA-OE1 3.23Å; S94-F327 WeakPolarHBondContact O-CE2 3.46Å; S94-F327 WeakPolarHBondContact O-CZ 3.25Å
95Y94.6Very high79.9Confident0 Ų028 Ų280%014%0.136CC..SBendtrans-7351162.8-64.513.8000110V5 I6 T42 I44 D48 V63 L64 G65 G93 F307 H311V5-Y95 CarbonylContact C-O 3.11Å; V5-Y95 WeakPolarHBondContact CA-O 3.39Å; I6-Y95 PolarHBondContact N-O 3.24Å; I6-Y95 WeakPolarHBondContact O-CB 3.33Å; T42-Y95 HydrophobicContact CG2-CD1 3.95Å; T42-Y95 HydrophobicContact CG2-CE1 4.07Å; I44-Y95 HydrophobicContact CD1-CE1 3.57Å; I44-Y95 WeakPolarHBondContact CD1-OH 3.31Å; D48-Y95 WeakPolarHBondContact CB-OH 3.41Å; D48-Y95 VanDerWaalsContact CG-OH 3.3Å; D48-Y95 PolarHBondContact OD1-OH 3.2Å; V63-Y95 WeakPolarHBondContact CG1-O 3.13Å; L64-Y95 HydrophobicContact CB-CD2 3.94Å; L64-Y95 HydrophobicContact CB-CE2 3.79Å; L64-Y95 HydrophobicContact CB-CG 4.43Å; L64-Y95 PolarHBondContact O-N 2.84Å; G65-Y95 VanDerWaalsContact CA-CE1 3.43Å; G93-Y95 PolarHBondContact O-N 2.69Å; Y95-F307 AromaticContact CD1-CD1 3.87Å; Y95-F307 HydrophobicContact CD1-CD1 3.87Å; Y95-F307 AromaticContact CD1-CE1 3.31Å; Y95-F307 HydrophobicContact CD1-CE1 3.31Å; Y95-F307 HydrophobicContact CD1-CZ 4.16Å; Y95-F307 AromaticContact CD2-CD1 3.37Å; Y95-F307 HydrophobicContact CD2-CD1 3.37Å; Y95-F307 AromaticContact CD2-CE1 3.63Å; Y95-F307 HydrophobicContact CD2-CE1 3.63Å; Y95-F307 HydrophobicContact CD2-CG 4.08Å; Y95-F307 HydrophobicContact CD2-CZ 4.49Å; Y95-F307 AromaticContact CE1-CD1 3.93Å; Y95-F307 HydrophobicContact CE1-CD1 3.93Å; Y95-F307 AromaticContact CE1-CE1 3.66Å; Y95-F307 HydrophobicContact CE1-CE1 3.66Å; Y95-F307 AromaticContact CE2-CD1 3.41Å; Y95-F307 HydrophobicContact CE2-CD1 3.41Å; Y95-F307 VanDerWaalsContact CE2-CD1 3.41Å; Y95-F307 AromaticContact CE2-CE1 3.93Å; Y95-F307 HydrophobicContact CE2-CE1 3.93Å; Y95-F307 HydrophobicContact CE2-CG 4.27Å; Y95-F307 AromaticContact CG-CD1 3.64Å; Y95-F307 HydrophobicContact CG-CD1 3.64Å; Y95-F307 AromaticContact CG-CE1 3.33Å; Y95-F307 HydrophobicContact CG-CE1 3.33Å; Y95-F307 HydrophobicContact CG-CZ 4.01Å; Y95-F307 AromaticContact CZ-CD1 3.72Å; Y95-F307 AromaticContact CZ-CE1 3.96Å; Y95-H311 AromaticContact CE2-NE2 3.56Å; Y95-H311 AromaticContact CZ-NE2 3.71Å; Y95-H311 PolarHBondContact OH-NE2 3.39Å
96S94.7Very high81.2Confident4 Ų426 Ų263%0.02812%0.116CC..BIsolated β-bridgetrans-149.6141.5-170.8-179.60000109.2S3 R4 V5 N39 G93 S94 S98 F327S3-S96 PolarHBondContact OG-OG 3.43Å; R4-S96 WeakPolarHBondContact O-CA 3.19Å; V5-S96 WeakPolarHBondContact CG1-OG 3.21Å; N39-S96 WeakPolarHBondContact CB-O 3.31Å; N39-S96 PolarHBondContact ND2-O 3.15Å; G93-S96 WeakPolarHBondContact O-CB 2.92Å; G93-S96 PolarHBondContact O-N 2.56Å; S94-S96 PolarHBondContact O-N 2.89Å; S96-S98 VanDerWaalsContact C-N 3.26Å; S96-S98 PolarHBondContact O-N 3.34Å; S96-S98 PolarHBondContact OG-N 2.89Å; S96-S98 PolarHBondContact OG-O 3.29Å; S96-F327 WeakPolarHBondContact O-CE2 3.29Å
97E94.6Very high82.6Confident68 Ų6824.5 Ų24.532%0.31811%0.108SC..SBendtrans-64.9-32.5172.5-69.5-174.1149.400112.4R4 K38 N39 F302R4-E97 HydrophobicContact CB-CG 4.1Å; R4-E97 WeakPolarHBondContact CB-OE2 3.45Å; R4-E97 IonicContact CZ-OE1 3.24Å; R4-E97 VanDerWaalsContact CZ-OE1 3.24Å; R4-E97 IonicContact NE-OE1 3.02Å; R4-E97 PolarHBondContact NE-OE1 2.87Å; R4-E97 IonicContact NE-OE2 3.74Å; R4-E97 IonicContact NH2-OE1 2.66Å; R4-E97 PolarHBondContact NH2-OE1 3.45Å; R4-E97 PolarHBondContact O-N 2.89Å; K38-E97 CarbonylContact C-O 3.37Å; K38-E97 WeakPolarHBondContact CA-O 3.1Å; N39-E97 PolarHBondContact N-O 2.8Å; E97-F302 HydrophobicContact CG-CD1 4.02Å; E97-F302 HydrophobicContact CG-CE1 3.8Å; E97-F302 HydrophobicContact CG-CZ 4.3Å
98S93.1Very high83.7Confident16 Ų1625.8 Ų25.811%0.11212%0.115CC..EExtended strand (participates in β ladder)trans-141.8141.5177.6-65.70000112.2S3 L27 V37 S96S3-S98 WeakPolarHBondContact CB-O 3.39Å; S3-S98 PolarHBondContact OG-N 3.09Å; S3-S98 PolarHBondContact OG-O 2.8Å; L27-S98 WeakPolarHBondContact CD2-O 3.34Å; V37-S98 CarbonylContact O-C 3.55Å; V37-S98 WeakPolarHBondContact O-CA 3.21Å; S96-S98 VanDerWaalsContact C-N 3.26Å; S96-S98 PolarHBondContact O-N 3.34Å; S96-S98 PolarHBondContact OG-N 2.89Å; S96-S98 PolarHBondContact OG-O 3.29Å
99Q89.8Confident84.7Confident7 Ų726.1 Ų26.13%0.03312%0.117CC..EExtended strand (participates in β ladder)trans-141.7153.9-176.560.5176.211.400112.1V36 V37 N39 R91 S94 V101V36-Q99 CarbonylContact C-O 3.59Å; V36-Q99 VanDerWaalsContact CA-O 3.31Å; V36-Q99 WeakPolarHBondContact CA-O 3.49Å; V37-Q99 HydrophobicContact CB-CG 4.19Å; V37-Q99 PolarHBondContact N-O 2.97Å; V37-Q99 PolarHBondContact O-N 2.73Å; N39-Q99 WeakPolarHBondContact OD1-CG 3.46Å; N39-Q99 PolarHBondContact OD1-NE2 2.89Å; N39-Q99 VanDerWaalsContact OD1-NE2 3.15Å; R91-Q99 PolarHBondContact O-OE1 3.4Å; S94-Q99 VanDerWaalsContact CA-OE1 3.23Å; Q99-V101 HydrophobicContact CG-CG2 3.78Å
100V89.9Confident86Confident16 Ų1627.7 Ų27.710%0.09713%0.127CC..EExtended strand (participates in β ladder)trans-93.9126.3172.1-179.20000109.1L27 P28 L30 D34 L35 V36L27-V100 HydrophobicContact CB-CG2 4.18Å; L27-V100 HydrophobicContact CD1-CG2 4.44Å; P28-V100 HydrophobicContact CG-CB 4.04Å; P28-V100 HydrophobicContact CG-CG1 4.5Å; P28-V100 HydrophobicContact CG-CG2 3.87Å; L30-V100 HydrophobicContact CD1-CG2 4.3Å; D34-V100 HydrophobicContact CB-CG1 3.71Å; L35-V100 CarbonylContact O-C 3.52Å; L35-V100 VanDerWaalsContact O-CA 3.3Å; L35-V100 WeakPolarHBondContact O-CA 3.36Å; V36-V100 HydrophobicContact CG2-CG2 4.22Å
101V90.3Very high87.7Confident0 Ų034.7 Ų34.70%016%0.16CC..EExtended strand (participates in β ladder)trans-128.1142.5-171.5169.90000110.1D34 L35 V37 K90 R91 Q99 S103 I105 V106D34-V101 CarbonylContact C-O 3.56Å; D34-V101 WeakPolarHBondContact CA-O 3.43Å; L35-V101 HydrophobicContact CD1-CB 3.75Å; L35-V101 HydrophobicContact CD1-CG1 4.27Å; L35-V101 HydrophobicContact CD1-CG2 4.41Å; L35-V101 HydrophobicContact CG-CB 4.19Å; L35-V101 PolarHBondContact N-O 3.23Å; L35-V101 PolarHBondContact O-N 3Å; V37-V101 HydrophobicContact CG2-CB 4.32Å; V37-V101 HydrophobicContact CG2-CG2 3.85Å; K90-V101 WeakPolarHBondContact O-CG1 3.32Å; K90-V101 VanDerWaalsContact O-CG2 3.3Å; K90-V101 WeakPolarHBondContact O-CG2 3.45Å; R91-V101 HydrophobicContact CB-CB 4.16Å; R91-V101 HydrophobicContact CB-CG1 4.14Å; R91-V101 HydrophobicContact CB-CG2 3.77Å; Q99-V101 HydrophobicContact CG-CG2 3.78Å; V101-S103 PolarHBondContact O-N 3.14Å; V101-I105 HydrophobicContact CG1-CG1 4.37Å; V101-V106 HydrophobicContact CB-CG2 4.47Å; V101-V106 HydrophobicContact CG1-CG2 3.23Å
102D91.1Very high89.4Confident13 Ų1335.9 Ų35.97%0.0717%0.173CC..EExtended strand (participates in β ladder)trans-74120.7169.3-171.2-45000109.3R104 I105D102-R104 PolarHBondContact O-N 3.06Å; D102-R104 VanDerWaalsContact OD1-CB 3.23Å; D102-R104 WeakPolarHBondContact OD1-CB 3.46Å; D102-R104 WeakPolarHBondContact OD1-CG 3.35Å; D102-R104 IonicContact OD1-CZ 2.74Å; D102-R104 PolarHBondContact OD1-N 2.87Å; D102-R104 IonicContact OD1-NE 3.55Å; D102-R104 PolarHBondContact OD1-NE 3.38Å; D102-R104 IonicContact OD1-NH2 3.9Å; D102-R104 IonicContact OD2-CZ 2.66Å; D102-R104 IonicContact OD2-NE 3.62Å; D102-R104 PolarHBondContact OD2-NE 3.46Å; D102-R104 IonicContact OD2-NH2 2.68Å; D102-R104 PolarHBondContact OD2-NH2 3.27Å; D102-I105 HydrophobicContact CB-CG1 4.24Å; D102-I105 WeakPolarHBondContact O-CG1 3.5Å; D102-I105 PolarHBondContact O-N 3.33Å; D102-I105 VanDerWaalsContact O-N 3.12Å
103S93Very high91.3Very high5 Ų531.2 Ų31.24%0.03516%0.156CC..G310 helixtrans-60.4-16.4-176.562.30000114.6T33 V79 H81 V101 I105T33-S103 VanDerWaalsContact O-CB 3.23Å; T33-S103 WeakPolarHBondContact O-CB 3.27Å; T33-S103 PolarHBondContact O-N 3.42Å; T33-S103 PolarHBondContact O-OG 3.13Å; V79-S103 WeakPolarHBondContact CG2-OG 3.33Å; H81-S103 PolarHBondContact CE1-O 2.9Å; H81-S103 PolarHBondContact NE2-O 3.23Å; V101-S103 PolarHBondContact O-N 3.14Å; S103-I105 VanDerWaalsContact C-N 3.32Å
104R93Very high92.6Very high88 Ų8833 Ų3333%0.33217%0.167SC..G310 helixtrans-76.9-16.2179-62.2175.3-68169.90.5113.6D102 I272 A273 G276D102-R104 PolarHBondContact O-N 3.06Å; D102-R104 VanDerWaalsContact OD1-CB 3.23Å; D102-R104 WeakPolarHBondContact OD1-CB 3.46Å; D102-R104 WeakPolarHBondContact OD1-CG 3.35Å; D102-R104 IonicContact OD1-CZ 2.74Å; D102-R104 PolarHBondContact OD1-N 2.87Å; D102-R104 IonicContact OD1-NE 3.55Å; D102-R104 PolarHBondContact OD1-NE 3.38Å; D102-R104 IonicContact OD1-NH2 3.9Å; D102-R104 IonicContact OD2-CZ 2.66Å; D102-R104 IonicContact OD2-NE 3.62Å; D102-R104 PolarHBondContact OD2-NE 3.46Å; D102-R104 IonicContact OD2-NH2 2.68Å; D102-R104 PolarHBondContact OD2-NH2 3.27Å; R104-I272 HydrophobicContact CB-CG2 4.09Å; R104-A273 HydrophobicContact CB-CB 4.21Å; R104-G276 VanDerWaalsContact O-CA 3.22Å; R104-G276 WeakPolarHBondContact O-CA 2.95Å; R104-G276 PolarHBondContact O-N 2.85Å; R104-G276 VanDerWaalsContact O-N 3.13Å
105I92.4Very high92.9Very high4 Ų433.6 Ų33.62%0.02117%0.172CC..G310 helixtrans-108.223.817962.9168.8000112.4K90 R91 V101 D102 S103 T266 I272 Q275 L279K90-I105 HydrophobicContact CD-CB 4.39Å; K90-I105 HydrophobicContact CD-CD1 4.13Å; K90-I105 HydrophobicContact CG-CD1 4.18Å; R91-I105 HydrophobicContact CB-CD1 4.13Å; R91-I105 HydrophobicContact CG-CD1 4.07Å; V101-I105 HydrophobicContact CG1-CG1 4.37Å; D102-I105 HydrophobicContact CB-CG1 4.24Å; D102-I105 WeakPolarHBondContact O-CG1 3.5Å; D102-I105 PolarHBondContact O-N 3.33Å; D102-I105 VanDerWaalsContact O-N 3.12Å; S103-I105 VanDerWaalsContact C-N 3.32Å; I105-T266 HydrophobicContact CG2-CG2 4.49Å; I105-I272 HydrophobicContact CG2-CG2 3.33Å; I105-Q275 HydrophobicContact CG2-CB 4.21Å; I105-L279 WeakPolarHBondContact O-CD1 3.37Å
106V93.2Very high93Very high1 Ų134.8 Ų34.81%0.00618%0.178CC..  trans-123.4141.5-174.2168.70000109.3L35 L82 T88 T89 V101L35-V106 HydrophobicContact CD2-CG2 4.29Å; L82-V106 HydrophobicContact CD1-CB 4.35Å; L82-V106 HydrophobicContact CD1-CG1 3.83Å; L82-V106 HydrophobicContact CD2-CG1 4.43Å; T88-V106 HydrophobicContact CG2-CG1 3.29Å; T89-V106 WeakPolarHBondContact O-CG2 3.43Å; V101-V106 HydrophobicContact CB-CG2 4.47Å; V101-V106 HydrophobicContact CG1-CG2 3.23Å
107A95Very high93.1Very high1 Ų138.9 Ų38.91%0.00820%0.197CC..  trans-117.5149.1164.600000110.8T88 L279 E280 V283T88-A107 WeakPolarHBondContact CA-O 3.41Å; A107-L279 HydrophobicContact CB-CB 3.58Å; A107-E280 HydrophobicContact CB-CB 4.48Å; A107-E280 HydrophobicContact CB-CG 3.8Å; A107-V283 HydrophobicContact CB-CG2 4.36Å
108K95.3Very high93.2Very high87 Ų8735.8 Ų35.838%0.37818%0.183SC..BIsolated β-bridgetrans-65.9136.5168.9-65.7-164.7-171.1-146.70109.8H81 L82 D86 R87 P110H81-K108 WeakPolarHBondContact O-CE 3.3Å; H81-K108 PolarHBondContact O-NZ 2.71Å; L82-K108 HydrophobicContact CD2-CD 4.25Å; L82-K108 HydrophobicContact CD2-CG 3.44Å; L82-K108 VanDerWaalsContact CD2-CG 3.44Å; D86-K108 IonicContact OD1-NZ 3.87Å; D86-K108 WeakPolarHBondContact OD2-CE 3.35Å; D86-K108 IonicContact OD2-NZ 2.95Å; D86-K108 PolarHBondContact OD2-NZ 2.9Å; R87-K108 CarbonylContact O-C 3.54Å; R87-K108 WeakPolarHBondContact O-CA 3.46Å; K108-P110 WeakPolarHBondContact O-CD 3.33Å
109L94.8Very high93.4Very high9 Ų935 Ų355%0.04718%0.177CC..  trans-107.1111.5174.5-173.670.6000110.5V69 R87 V113 A118 V283V69-L109 HydrophobicContact CG1-CD2 3.61Å; V69-L109 HydrophobicContact CG2-CD2 4.1Å; R87-L109 HydrophobicContact CB-CB 3.82Å; R87-L109 PolarHBondContact O-N 3.5Å; L109-V113 HydrophobicContact CD1-CB 3.74Å; L109-V113 HydrophobicContact CD1-CG1 3.69Å; L109-V113 HydrophobicContact CD1-CG2 4.45Å; L109-V113 HydrophobicContact CG-CB 4.34Å; L109-A118 HydrophobicContact CD1-CB 3.61Å; L109-A118 HydrophobicContact CD2-CB 3.66Å; L109-A118 HydrophobicContact CG-CB 4.3Å; L109-V283 HydrophobicContact CD1-CG2 4.2Å
110P92.3Very high93.7Very high38 Ų3834.7 Ų34.725%0.24718%0.176CC..  trans-58150.9173-30.540.8000113.3K108 D112 V113 V283K108-P110 WeakPolarHBondContact O-CD 3.33Å; P110-D112 WeakPolarHBondContact CB-OD1 3.44Å; P110-D112 PolarHBondContact O-N 3.02Å; P110-V113 PolarHBondContact O-N 3.3Å; P110-V283 VanDerWaalsContact CD-CG1 3.4Å; P110-V283 HydrophobicContact CG-CG1 3.92Å
111H90.3Very high94.1Very high155 Ų15533.9 Ų33.972%0.71817%0.171SC*.THydrogen-bonded Turntrans-68.2-19.9-177.1-70.1-71000114.3V113H111-V113 VanDerWaalsContact C-N 3.29Å
112D90.7Very high94.4Very high120 Ų12033.9 Ų33.964%0.64217%0.171SC*.THydrogen-bonded Turntrans-79.2-10.2176.763.3-38.3000113.2P110 Q287P110-D112 WeakPolarHBondContact CB-OD1 3.44Å; P110-D112 PolarHBondContact O-N 3.02Å; D112-Q287 PolarHBondContact OD1-NE2 3.04Å; D112-Q287 PolarHBondContact OD2-NE2 3.3Å
113V92.5Very high94.7Very high12 Ų1234 Ų347%0.07317%0.172CC..SBendtrans-97.6128.4173.1-174.40000109.6L109 P110 H111 A115 A118 L286 Q287L109-V113 HydrophobicContact CD1-CB 3.74Å; L109-V113 HydrophobicContact CD1-CG1 3.69Å; L109-V113 HydrophobicContact CD1-CG2 4.45Å; L109-V113 HydrophobicContact CG-CB 4.34Å; P110-V113 PolarHBondContact O-N 3.3Å; H111-V113 VanDerWaalsContact C-N 3.29Å; V113-A115 PolarHBondContact O-N 2.94Å; V113-A118 HydrophobicContact CG1-CB 4.18Å; V113-L286 HydrophobicContact CG1-CD1 4.22Å; V113-Q287 HydrophobicContact CG2-CG 3.77Å
114S95.1Very high94.9Very high50 Ų5033.9 Ų33.935%0.3517%0.171SC..  trans-61.9133.4177.9167.20000111.2E117 A118S114-E117 WeakPolarHBondContact CB-OE2 3.47Å; S114-E117 PolarHBondContact O-N 3.41Å; S114-E117 PolarHBondContact OG-N 2.75Å; S114-A118 VanDerWaalsContact O-CB 3.3Å; S114-A118 WeakPolarHBondContact O-CB 3.45Å; S114-A118 PolarHBondContact O-N 3.17Å
115A94.7Very high95.2Very high11 Ų1129.7 Ų29.79%0.09116%0.155CC..Hα-helixtrans-63.9-41.9-179.600000111.9M40 V69 V113 A118 A119M40-A115 HydrophobicContact CE-CB 4.31Å; V69-A115 HydrophobicContact CG1-CB 3.85Å; V69-A115 WeakPolarHBondContact CG2-O 3.49Å; V113-A115 PolarHBondContact O-N 2.94Å; A115-A118 PolarHBondContact O-N 3.08Å; A115-A119 VanDerWaalsContact O-CB 3.31Å; A115-A119 WeakPolarHBondContact O-CB 3.49Å; A115-A119 PolarHBondContact O-N 3.48Å
116D97.2Very high95.4Very high25 Ų2529.5 Ų29.513%0.13415%0.154CC..Hα-helixtrans-69.1-41.1179.4-60.9-27.6000111A118 A119 A120 L295 I298 V324 H326D116-A118 VanDerWaalsContact C-N 3.32Å; D116-A118 PolarHBondContact O-N 3.29Å; D116-A119 PolarHBondContact O-N 2.92Å; D116-A120 PolarHBondContact O-N 2.96Å; D116-L295 HydrophobicContact CB-CD2 3.87Å; D116-I298 HydrophobicContact CB-CD1 4.24Å; D116-V324 HydrophobicContact CB-CG1 4.25Å; D116-H326 IonicContact OD1-CE1 3.86Å; D116-H326 IonicContact OD1-CG 2.97Å; D116-H326 IonicContact OD1-ND1 3.25Å; D116-H326 PolarHBondContact OD1-ND1 2.7Å; D116-H326 IonicContact OD2-ND1 3.37Å; D116-H326 PolarHBondContact OD2-ND1 2.92Å
117E97.4Very high95.7Very high90 Ų9029.9 Ų29.942%0.42116%0.156SC..Hα-helixtrans-64.1-39.2177.3-74.7-169.5137.700111.9S114 M121 S293 L295S114-E117 WeakPolarHBondContact CB-OE2 3.47Å; S114-E117 PolarHBondContact O-N 3.41Å; S114-E117 PolarHBondContact OG-N 2.75Å; E117-M121 WeakPolarHBondContact O-CG 3.32Å; E117-S293 WeakPolarHBondContact CA-OG 3.47Å; E117-S293 WeakPolarHBondContact CB-OG 3.32Å; E117-S293 PolarHBondContact O-OG 3.03Å; E117-L295 HydrophobicContact CG-CD2 4Å
118A96.9Very high95.9Very high3 Ų329.8 Ų29.83%0.02516%0.156CC..Hα-helixtrans-71.3-36.2175.100000112V69 L109 V113 S114 A115 D116 A120 M121 P122V69-A118 HydrophobicContact CG2-CB 3.83Å; L109-A118 HydrophobicContact CD1-CB 3.61Å; L109-A118 HydrophobicContact CD2-CB 3.66Å; L109-A118 HydrophobicContact CG-CB 4.3Å; V113-A118 HydrophobicContact CG1-CB 4.18Å; S114-A118 VanDerWaalsContact O-CB 3.3Å; S114-A118 WeakPolarHBondContact O-CB 3.45Å; S114-A118 PolarHBondContact O-N 3.17Å; A115-A118 PolarHBondContact O-N 3.08Å; D116-A118 VanDerWaalsContact C-N 3.32Å; D116-A118 PolarHBondContact O-N 3.29Å; A118-A120 PolarHBondContact O-N 3.43Å; A118-M121 PolarHBondContact O-N 3.1Å; A118-P122 VanDerWaalsContact O-CD 3.27Å; A118-P122 WeakPolarHBondContact O-CD 3.32Å
119A96.2Very high96Very high0 Ų028.1 Ų28.10%015%0.147CC..Hα-helixtrans-64.3-27.7177.300000112.2A41 S43 D67 V69 A115 D116 M121 P122 V324A41-A119 HydrophobicContact CB-CB 3.71Å; S43-A119 VanDerWaalsContact CB-O 3.28Å; S43-A119 WeakPolarHBondContact CB-O 2.85Å; D67-A119 WeakPolarHBondContact CB-O 3.25Å; V69-A119 HydrophobicContact CB-CB 4.23Å; V69-A119 HydrophobicContact CG2-CB 3.9Å; A115-A119 VanDerWaalsContact O-CB 3.31Å; A115-A119 WeakPolarHBondContact O-CB 3.49Å; A115-A119 PolarHBondContact O-N 3.48Å; D116-A119 PolarHBondContact O-N 2.92Å; A119-M121 PolarHBondContact O-N 3.04Å; A119-P122 VanDerWaalsContact O-CD 3.28Å; A119-P122 WeakPolarHBondContact O-CD 3.16Å; A119-V324 HydrophobicContact CB-CG1 4.34Å; A119-V324 HydrophobicContact CB-CG2 4.31Å
120A97.3Very high96.2Very high0 Ų027.8 Ų27.80%015%0.146CC..THydrogen-bonded Turntrans-70.2-13.4-18000000115.1D116 A118 L295 K322 V324D116-A120 PolarHBondContact O-N 2.96Å; A118-A120 PolarHBondContact O-N 3.43Å; A120-L295 HydrophobicContact CB-CB 3.88Å; A120-L295 HydrophobicContact CB-CD1 4.32Å; A120-K322 HydrophobicContact CB-CB 3.89Å; A120-K322 WeakPolarHBondContact O-CE 3.23Å; A120-K322 WeakPolarHBondContact O-CG 3.46Å; A120-V324 HydrophobicContact CB-CG2 3.74Å
121M98.1Very high96.5Very high0 Ų026 Ų260%013%0.134CC..SBendtrans-107.5-30.1-162.1-61.8-65.7-70.500117.9E117 A118 A119 L123 T124 F125 V157 L282 I291 T294E117-M121 WeakPolarHBondContact O-CG 3.32Å; A118-M121 PolarHBondContact O-N 3.1Å; A119-M121 PolarHBondContact O-N 3.04Å; M121-L123 PolarHBondContact O-N 2.72Å; M121-T124 PolarHBondContact O-N 3.37Å; M121-T124 PolarHBondContact O-OG1 3.1Å; M121-T124 VanDerWaalsContact O-OG1 3.05Å; M121-F125 HydrophobicContact CE-CD2 4.38Å; M121-F125 WeakPolarHBondContact O-CB 3.42Å; M121-F125 PolarHBondContact O-N 3.35Å; M121-V157 HydrophobicContact CE-CG2 3.88Å; M121-V157 HydrophobicContact SD-CG2 4.39Å; M121-L282 HydrophobicContact CB-CD1 3.94Å; M121-L282 HydrophobicContact CB-CD2 3.71Å; M121-L282 HydrophobicContact CB-CG 4.46Å; M121-L282 HydrophobicContact CE-CD1 3.89Å; M121-L282 HydrophobicContact CG-CD1 4.3Å; M121-I291 HydrophobicContact CE-CD1 4.28Å; M121-T294 HydrophobicContact CE-CG2 4.36Å; M121-T294 HydrophobicContact SD-CG2 3.87Å; M121-T294 PolarHBondContact SD-N 3.36Å; M121-T294 PolarHBondContact SD-OG1 2.91Å; M121-T294 VanDerWaalsContact SD-OG1 3.36Å
122P96.5Very high96.9Very high0 Ų018.7 Ų18.70%010%0.1CC..Hα-helixtrans-60.6-53.5-160.1-2635.4000114.2D67 T89 A118 A119 F125 I126 L279D67-P122 VanDerWaalsContact OD1-CB 3.31Å; D67-P122 WeakPolarHBondContact OD1-CB 3.4Å; D67-P122 WeakPolarHBondContact OD1-CD 3.47Å; T89-P122 HydrophobicContact CG2-CG 4.05Å; A118-P122 VanDerWaalsContact O-CD 3.27Å; A118-P122 WeakPolarHBondContact O-CD 3.32Å; A119-P122 VanDerWaalsContact O-CD 3.28Å; A119-P122 WeakPolarHBondContact O-CD 3.16Å; P122-F125 PolarHBondContact O-N 2.99Å; P122-I126 WeakPolarHBondContact O-CB 3.33Å; P122-I126 VanDerWaalsContact O-CG1 3.27Å; P122-I126 WeakPolarHBondContact O-CG1 3.43Å; P122-I126 PolarHBondContact O-N 2.87Å; P122-L279 HydrophobicContact CB-CD2 3.68Å; P122-L279 HydrophobicContact CG-CD2 4.43Å
123L95.7Very high97.2Very high15 Ų1514.9 Ų14.98%0.0798%0.078CC..Hα-helixtrans-62-47.3-179.4-179.3153.5000110.8N45 V47 F66 D67 M121 F125 T127 M262 F263N45-L123 HydrophobicContact CB-CD1 4.38Å; V47-L123 HydrophobicContact CG1-CD1 4.12Å; F66-L123 HydrophobicContact CB-CD1 3.68Å; F66-L123 HydrophobicContact CG-CD1 4.34Å; D67-L123 WeakPolarHBondContact OD1-CB 3.49Å; D67-L123 PolarHBondContact OD1-N 2.88Å; M121-L123 PolarHBondContact O-N 2.72Å; L123-F125 VanDerWaalsContact C-N 3.33Å; L123-F125 PolarHBondContact O-N 2.95Å; L123-T127 VanDerWaalsContact O-CB 3.26Å; L123-T127 WeakPolarHBondContact O-CB 3.43Å; L123-T127 PolarHBondContact O-N 2.95Å; L123-T127 PolarHBondContact O-OG1 2.91Å; L123-M262 HydrophobicContact CB-SD 4.38Å; L123-M262 HydrophobicContact CD1-SD 4.44Å; L123-M262 HydrophobicContact CG-SD 3.85Å; L123-F263 HydrophobicContact CD1-CZ 4.09Å
124T97.9Very high97.4Very high2 Ų218.4 Ų18.41%0.0129%0.094CC..Hα-helixtrans-68.5-35.6-176.751.60000111.9M121 A128 G153 V154 K322M121-T124 PolarHBondContact O-N 3.37Å; M121-T124 PolarHBondContact O-OG1 3.1Å; M121-T124 VanDerWaalsContact O-OG1 3.05Å; T124-A128 VanDerWaalsContact O-CB 3.24Å; T124-A128 WeakPolarHBondContact O-CB 3.25Å; T124-A128 PolarHBondContact O-N 2.88Å; T124-G153 VanDerWaalsContact CG2-C 3.47Å; T124-V154 HydrophobicContact CG2-CG2 3.97Å; T124-K322 HydrophobicContact CG2-CD 3.94Å
125F98.6Very high97.6Very high0 Ų020 Ų200%09%0.094CC..Hα-helixtrans-72.1-45.9177.6-168.1-83.8000112.7M121 P122 L123 A128 Y129 V157 L161 I278 L281 L282 L285 I291M121-F125 HydrophobicContact CE-CD2 4.38Å; M121-F125 WeakPolarHBondContact O-CB 3.42Å; M121-F125 PolarHBondContact O-N 3.35Å; P122-F125 PolarHBondContact O-N 2.99Å; L123-F125 VanDerWaalsContact C-N 3.33Å; L123-F125 PolarHBondContact O-N 2.95Å; F125-A128 PolarHBondContact O-N 2.66Å; F125-Y129 HydrophobicContact CE1-CD2 4.42Å; F125-Y129 WeakPolarHBondContact O-CB 3.21Å; F125-Y129 PolarHBondContact O-N 3.49Å; F125-V157 HydrophobicContact CB-CG1 4.05Å; F125-V157 HydrophobicContact CD2-CG1 3.45Å; F125-V157 VanDerWaalsContact CD2-CG1 3.45Å; F125-V157 HydrophobicContact CE2-CG1 4.22Å; F125-V157 HydrophobicContact CG-CG1 4.06Å; F125-L161 HydrophobicContact CD2-CD1 4.44Å; F125-L161 HydrophobicContact CE2-CD1 4.17Å; F125-L161 HydrophobicContact CE2-CD2 3.71Å; F125-L161 HydrophobicContact CE2-CG 4.11Å; F125-L161 HydrophobicContact CZ-CD1 4.39Å; F125-L161 HydrophobicContact CZ-CD2 3.77Å; F125-I278 HydrophobicContact CD1-CG2 3.68Å; F125-I278 HydrophobicContact CE1-CG2 3.76Å; F125-I278 WeakPolarHBondContact CE1-O 3.33Å; F125-L281 HydrophobicContact CZ-CG 4.45Å; F125-L282 HydrophobicContact CB-CD1 4.41Å; F125-L282 HydrophobicContact CB-CD2 4.14Å; F125-L282 HydrophobicContact CD1-CB 3.68Å; F125-L282 HydrophobicContact CD1-CD2 4.49Å; F125-L282 HydrophobicContact CD1-CG 4.46Å; F125-L282 HydrophobicContact CD2-CB 4.21Å; F125-L282 HydrophobicContact CD2-CD1 3.69Å; F125-L282 HydrophobicContact CD2-CG 4.41Å; F125-L282 HydrophobicContact CE1-CB 3.68Å; F125-L282 HydrophobicContact CE2-CB 4.24Å; F125-L282 HydrophobicContact CE2-CD1 4.08Å; F125-L282 HydrophobicContact CG-CB 3.94Å; F125-L282 HydrophobicContact CG-CD1 3.97Å; F125-L282 HydrophobicContact CG-CD2 4.22Å; F125-L282 HydrophobicContact CG-CG 4.26Å; F125-L282 HydrophobicContact CZ-CB 3.97Å; F125-L285 HydrophobicContact CE2-CD1 4.3Å; F125-L285 HydrophobicContact CZ-CD1 3.98Å; F125-I291 HydrophobicContact CD2-CD1 3.95Å; F125-I291 HydrophobicContact CE2-CD1 3.45Å; F125-I291 VanDerWaalsContact CE2-CD1 3.45Å; F125-I291 HydrophobicContact CZ-CD1 4.41Å
126I98Very high97.6Very high0 Ų019.4 Ų19.40%09%0.09CC..Hα-helixtrans-59.1-50.5173.7-67.5168.9000109.9K90 P122 A128 Y129 E130 M262 Q275 I278 L279K90-I126 HydrophobicContact CD-CD1 4.1Å; P122-I126 WeakPolarHBondContact O-CB 3.33Å; P122-I126 VanDerWaalsContact O-CG1 3.27Å; P122-I126 WeakPolarHBondContact O-CG1 3.43Å; P122-I126 PolarHBondContact O-N 2.87Å; I126-A128 PolarHBondContact O-N 3.23Å; I126-Y129 PolarHBondContact O-N 3.4Å; I126-E130 HydrophobicContact CG2-CG 4.1Å; I126-E130 WeakPolarHBondContact CG2-OE2 3.38Å; I126-E130 WeakPolarHBondContact O-CB 3.32Å; I126-E130 WeakPolarHBondContact O-CG 3.4Å; I126-E130 PolarHBondContact O-N 3.28Å; I126-M262 HydrophobicContact CB-SD 4.48Å; I126-M262 HydrophobicContact CG2-CB 3.89Å; I126-M262 HydrophobicContact CG2-SD 4.3Å; I126-Q275 HydrophobicContact CD1-CB 4.19Å; I126-Q275 HydrophobicContact CD1-CG 4.49Å; I126-Q275 HydrophobicContact CG2-CG 4.03Å; I126-I278 HydrophobicContact CG1-CG2 3.95Å; I126-L279 HydrophobicContact CD1-CD1 4.13Å; I126-L279 HydrophobicContact CD1-CD2 3.95Å; I126-L279 HydrophobicContact CD1-CG 3.97Å; I126-L279 HydrophobicContact CG1-CD2 4.1Å; I126-L279 HydrophobicContact CG1-CG 4.3Å
127T98.6Very high97.4Very high9 Ų922.5 Ų22.56%0.05511%0.106CC..Hα-helixtrans-58.4-45.7-179.5-55.20000111.8L123 M131 V154 I238 E260 M262L123-T127 VanDerWaalsContact O-CB 3.26Å; L123-T127 WeakPolarHBondContact O-CB 3.43Å; L123-T127 PolarHBondContact O-N 2.95Å; L123-T127 PolarHBondContact O-OG1 2.91Å; T127-M131 VanDerWaalsContact O-CB 3.25Å; T127-M131 WeakPolarHBondContact O-CB 3.19Å; T127-M131 PolarHBondContact O-N 2.86Å; T127-M131 VanDerWaalsContact O-N 3.14Å; T127-V154 HydrophobicContact CG2-CG1 4.12Å; T127-V154 HydrophobicContact CG2-CG2 4.25Å; T127-I238 HydrophobicContact CG2-CB 4.44Å; T127-I238 HydrophobicContact CG2-CD1 4.35Å; T127-I238 HydrophobicContact CG2-CG2 3.7Å; T127-E260 HydrophobicContact CG2-CG 4.14Å; T127-E260 WeakPolarHBondContact O-CG 3.5Å; T127-M262 WeakPolarHBondContact OG1-CG 3.41Å
128A98.8Very high97.2Very high0 Ų018.5 Ų18.50%09%0.088CC..Hα-helixtrans-68.5-39.8178.800000112.1T124 F125 I126 L132 V154 V157 A158 L161T124-A128 VanDerWaalsContact O-CB 3.24Å; T124-A128 WeakPolarHBondContact O-CB 3.25Å; T124-A128 PolarHBondContact O-N 2.88Å; F125-A128 PolarHBondContact O-N 2.66Å; I126-A128 PolarHBondContact O-N 3.23Å; A128-L132 WeakPolarHBondContact O-CB 3.25Å; A128-L132 VanDerWaalsContact O-CG 3.23Å; A128-L132 WeakPolarHBondContact O-CG 3.28Å; A128-L132 PolarHBondContact O-N 3.43Å; A128-V154 HydrophobicContact CB-CG1 4.15Å; A128-V157 HydrophobicContact CB-CB 4.13Å; A128-V157 HydrophobicContact CB-CG1 3.95Å; A128-A158 HydrophobicContact CB-CB 3.99Å; A128-L161 HydrophobicContact CB-CD1 3.93Å
129Y98.7Very high96.5Very high52 Ų5223.3 Ų23.320%0.20411%0.113CC..Hα-helixtrans-67.8-50.2-179.1-174.1-83.4000111.7F125 I126 M131 L132 F133 L161 I278 L281F125-Y129 HydrophobicContact CE1-CD2 4.42Å; F125-Y129 WeakPolarHBondContact O-CB 3.21Å; F125-Y129 PolarHBondContact O-N 3.49Å; I126-Y129 PolarHBondContact O-N 3.4Å; Y129-M131 VanDerWaalsContact C-N 3.31Å; Y129-M131 PolarHBondContact O-N 3.42Å; Y129-L132 PolarHBondContact O-N 3.14Å; Y129-F133 HydrophobicContact CD1-CB 4.49Å; Y129-F133 HydrophobicContact CD1-CD2 4.29Å; Y129-F133 AromaticContact CD2-CD2 3.4Å; Y129-F133 HydrophobicContact CD2-CD2 3.4Å; Y129-F133 AromaticContact CD2-CE2 3.72Å; Y129-F133 HydrophobicContact CD2-CE2 3.72Å; Y129-F133 HydrophobicContact CD2-CG 4.36Å; Y129-F133 HydrophobicContact CE1-CB 4.16Å; Y129-F133 HydrophobicContact CE1-CD2 4.39Å; Y129-F133 HydrophobicContact CE2-CB 4.47Å; Y129-F133 AromaticContact CE2-CD2 3.49Å; Y129-F133 HydrophobicContact CE2-CD2 3.49Å; Y129-F133 VanDerWaalsContact CE2-CD2 3.49Å; Y129-F133 AromaticContact CE2-CE2 3.91Å; Y129-F133 HydrophobicContact CE2-CE2 3.91Å; Y129-F133 HydrophobicContact CE2-CG 4.06Å; Y129-F133 AromaticContact CG-CD2 3.82Å; Y129-F133 HydrophobicContact CG-CD2 3.82Å; Y129-F133 HydrophobicContact CG-CE2 4.47Å; Y129-F133 WeakPolarHBondContact O-CD2 3.09Å; Y129-F133 PolarHBondContact O-N 2.86Å; Y129-L161 HydrophobicContact CD2-CD1 4.41Å; Y129-I278 HydrophobicContact CD1-CD1 3.53Å; Y129-I278 HydrophobicContact CD1-CG1 3.54Å; Y129-I278 HydrophobicContact CD1-CG2 4.17Å; Y129-I278 HydrophobicContact CE1-CD1 3.99Å; Y129-I278 HydrophobicContact CE1-CG1 3.73Å; Y129-I278 HydrophobicContact CG-CD1 4.39Å; Y129-I278 HydrophobicContact CG-CG1 4.2Å; Y129-I278 HydrophobicContact CG-CG2 4Å; Y129-L281 HydrophobicContact CD2-CD2 3.92Å; Y129-L281 HydrophobicContact CE2-CD2 3.32Å
130E98.5Very high95.3Very high2 Ų227.5 Ų27.51%0.00913%0.132CC..Iπ-helixtrans-60.6-44179.2-67.3-178.2158.900109.9I126 L132 E134 K135 E260 M262 K265 Q275 I278I126-E130 HydrophobicContact CG2-CG 4.1Å; I126-E130 WeakPolarHBondContact CG2-OE2 3.38Å; I126-E130 WeakPolarHBondContact O-CB 3.32Å; I126-E130 WeakPolarHBondContact O-CG 3.4Å; I126-E130 PolarHBondContact O-N 3.28Å; E130-L132 PolarHBondContact O-N 3.02Å; E130-E134 CarbonylContact O-C 3.16Å; E130-E134 WeakPolarHBondContact O-CA 3.47Å; E130-E134 WeakPolarHBondContact O-CB 3.31Å; E130-E134 PolarHBondContact O-N 3.21Å; E130-K135 WeakPolarHBondContact O-CG 3.44Å; E130-K135 PolarHBondContact O-N 3.4Å; E130-E260 HydrophobicContact CB-CG 4.33Å; E130-E260 WeakPolarHBondContact CB-OE2 3.42Å; E130-M262 WeakPolarHBondContact OE2-CA 3.39Å; E130-K265 VanDerWaalsContact OE1-CD 3.32Å; E130-K265 WeakPolarHBondContact OE1-CD 3.31Å; E130-K265 VanDerWaalsContact OE1-CE 3.24Å; E130-K265 WeakPolarHBondContact OE1-CE 3.23Å; E130-K265 IonicContact OE1-NZ 2.56Å; E130-K265 PolarHBondContact OE1-NZ 2.8Å; E130-Q275 VanDerWaalsContact OE1-CG 3.26Å; E130-Q275 WeakPolarHBondContact OE1-CG 3.24Å; E130-Q275 PolarHBondContact OE1-NE2 2.92Å; E130-Q275 PolarHBondContact OE2-NE2 3.31Å; E130-I278 HydrophobicContact CG-CD1 3.76Å
131M98.6Very high94.4Very high1 Ų134.2 Ų34.21%0.00517%0.168CC..Iπ-helixtrans-57.6-53.6174.5179.758.788.700112.7T127 Y129 K135 M136 L213 S237 I238 E260T127-M131 VanDerWaalsContact O-CB 3.25Å; T127-M131 WeakPolarHBondContact O-CB 3.19Å; T127-M131 PolarHBondContact O-N 2.86Å; T127-M131 VanDerWaalsContact O-N 3.14Å; Y129-M131 VanDerWaalsContact C-N 3.31Å; Y129-M131 PolarHBondContact O-N 3.42Å; M131-K135 WeakPolarHBondContact O-CB 3.2Å; M131-K135 HydrophobicContact SD-CB 4.07Å; M131-M136 HydrophobicContact CG-CG 4.42Å; M131-M136 HydrophobicContact CG-SD 3.79Å; M131-M136 WeakPolarHBondContact O-CB 3.24Å; M131-M136 VanDerWaalsContact O-CG 3.29Å; M131-M136 WeakPolarHBondContact O-CG 3.22Å; M131-M136 PolarHBondContact O-N 2.86Å; M131-M136 HydrophobicContact SD-CG 3.89Å; M131-M136 HydrophobicContact SD-SD 3.75Å; M131-L213 HydrophobicContact CE-CD1 3.81Å; M131-L213 HydrophobicContact CG-CD1 3.57Å; M131-L213 HydrophobicContact CG-CD2 4.34Å; M131-L213 HydrophobicContact SD-CD1 4.19Å; M131-S237 VanDerWaalsContact CE-C 3.45Å; M131-S237 VanDerWaalsContact CE-N 3.25Å; M131-S237 WeakPolarHBondContact CE-O 3.31Å; M131-I238 HydrophobicContact CE-CG2 3.93Å; M131-E260 HydrophobicContact CB-CB 3.9Å; M131-E260 HydrophobicContact CB-CG 3.96Å; M131-E260 HydrophobicContact CE-CB 3.3Å; M131-E260 HydrophobicContact CG-CB 4.42Å; M131-E260 HydrophobicContact SD-CB 3.95Å
132L98.6Very high93.6Very high0 Ų037.7 Ų37.70%019%0.193CC..Iπ-helixtrans-71.2-50.7-172.9-68174.1000111.7A128 Y129 E130 L138 I145 A158 L161 L213A128-L132 WeakPolarHBondContact O-CB 3.25Å; A128-L132 VanDerWaalsContact O-CG 3.23Å; A128-L132 WeakPolarHBondContact O-CG 3.28Å; A128-L132 PolarHBondContact O-N 3.43Å; Y129-L132 PolarHBondContact O-N 3.14Å; E130-L132 PolarHBondContact O-N 3.02Å; L132-L138 HydrophobicContact CB-CB 4.5Å; L132-L138 HydrophobicContact CB-CD1 4.23Å; L132-L138 HydrophobicContact CD2-CD1 4.05Å; L132-L138 WeakPolarHBondContact O-CB 3.18Å; L132-L138 PolarHBondContact O-N 3.05Å; L132-I145 HydrophobicContact CD2-CD1 3.48Å; L132-I145 VanDerWaalsContact CD2-CD1 3.48Å; L132-A158 HydrophobicContact CD1-CB 4.29Å; L132-L161 HydrophobicContact CD1-CB 3.79Å; L132-L213 HydrophobicContact CD2-CD2 4.4Å
133F97.9Very high93.4Very high41 Ų4139.4 Ų39.418%0.1821%0.21CC..Iπ-helixtrans-97.5-22.8-166.7-59.7-78.2000114Y129 L138 L161 W164 A165Y129-F133 HydrophobicContact CD1-CB 4.49Å; Y129-F133 HydrophobicContact CD1-CD2 4.29Å; Y129-F133 AromaticContact CD2-CD2 3.4Å; Y129-F133 HydrophobicContact CD2-CD2 3.4Å; Y129-F133 AromaticContact CD2-CE2 3.72Å; Y129-F133 HydrophobicContact CD2-CE2 3.72Å; Y129-F133 HydrophobicContact CD2-CG 4.36Å; Y129-F133 HydrophobicContact CE1-CB 4.16Å; Y129-F133 HydrophobicContact CE1-CD2 4.39Å; Y129-F133 HydrophobicContact CE2-CB 4.47Å; Y129-F133 AromaticContact CE2-CD2 3.49Å; Y129-F133 HydrophobicContact CE2-CD2 3.49Å; Y129-F133 VanDerWaalsContact CE2-CD2 3.49Å; Y129-F133 AromaticContact CE2-CE2 3.91Å; Y129-F133 HydrophobicContact CE2-CE2 3.91Å; Y129-F133 HydrophobicContact CE2-CG 4.06Å; Y129-F133 AromaticContact CG-CD2 3.82Å; Y129-F133 HydrophobicContact CG-CD2 3.82Å; Y129-F133 HydrophobicContact CG-CE2 4.47Å; Y129-F133 WeakPolarHBondContact O-CD2 3.09Å; Y129-F133 PolarHBondContact O-N 2.86Å; F133-L138 HydrophobicContact CD1-CB 4.42Å; F133-L138 HydrophobicContact CD1-CD2 4.48Å; F133-L138 VanDerWaalsContact CD1-O 3.24Å; F133-L138 WeakPolarHBondContact CD1-O 3.27Å; F133-L138 HydrophobicContact CE1-CD2 3.98Å; F133-L161 HydrophobicContact CE2-CB 4.13Å; F133-L161 HydrophobicContact CE2-CD1 4.32Å; F133-L161 HydrophobicContact CE2-CD2 4.24Å; F133-L161 HydrophobicContact CE2-CG 4.47Å; F133-W164 HydrophobicContact CE1-CZ3 4.46Å; F133-W164 HydrophobicContact CE2-CZ3 4.49Å; F133-W164 HydrophobicContact CZ-CE3 4.06Å; F133-W164 AromaticContact CZ-CZ3 3.98Å; F133-W164 HydrophobicContact CZ-CZ3 3.98Å; F133-A165 HydrophobicContact CE1-CB 4.03Å; F133-A165 HydrophobicContact CZ-CB 4.1Å
134E97.3Very high93.5Very high86 Ų8639 Ų3940%0.40221%0.208SC..Iπ-helixtrans-107.2-36-179.9-57.2-173.8-179.300113.1E130 K265E130-E134 CarbonylContact O-C 3.16Å; E130-E134 WeakPolarHBondContact O-CA 3.47Å; E130-E134 WeakPolarHBondContact O-CB 3.31Å; E130-E134 PolarHBondContact O-N 3.21Å; E134-K265 IonicContact OE1-NZ 3.8Å; E134-K265 PolarHBondContact OE1-NZ 3.37Å; E134-K265 VanDerWaalsContact OE2-CE 3.27Å; E134-K265 WeakPolarHBondContact OE2-CE 3.19Å; E134-K265 IonicContact OE2-NZ 2.8Å; E134-K265 PolarHBondContact OE2-NZ 2.96Å
135K97.3Very high93.5Very high82 Ų8238.9 Ų38.936%0.35721%0.208SC..Iπ-helixtrans-89-50.3-179.4-60-54.1-57168.30112.5E130 M131 D137 D258 W259 E260E130-K135 WeakPolarHBondContact O-CG 3.44Å; E130-K135 PolarHBondContact O-N 3.4Å; M131-K135 WeakPolarHBondContact O-CB 3.2Å; M131-K135 HydrophobicContact SD-CB 4.07Å; K135-D137 VanDerWaalsContact C-N 3.34Å; K135-D258 HydrophobicContact CB-CB 4.11Å; K135-W259 VanDerWaalsContact CE-O 3.32Å; K135-W259 WeakPolarHBondContact CE-O 3.37Å; K135-E260 HydrophobicContact CG-CB 4.37Å; K135-E260 WeakPolarHBondContact CG-OE2 3.49Å
136M96.7Very high93.5Very high0 Ų038.9 Ų38.90%021%0.208CC..SBendtrans-91.23.7-177.8-62174.760.900113.3M131 L138 Y211 H234M131-M136 HydrophobicContact CG-CG 4.42Å; M131-M136 HydrophobicContact CG-SD 3.79Å; M131-M136 WeakPolarHBondContact O-CB 3.24Å; M131-M136 VanDerWaalsContact O-CG 3.29Å; M131-M136 WeakPolarHBondContact O-CG 3.22Å; M131-M136 PolarHBondContact O-N 2.86Å; M131-M136 HydrophobicContact SD-CG 3.89Å; M131-M136 HydrophobicContact SD-SD 3.75Å; M136-L138 PolarHBondContact O-N 2.83Å; M136-L138 VanDerWaalsContact O-N 3.12Å; M136-Y211 HydrophobicContact CB-CD1 4.42Å; M136-Y211 HydrophobicContact CE-CD1 3.68Å; M136-Y211 HydrophobicContact CE-CG 4.18Å; M136-Y211 WeakPolarHBondContact O-CE1 3.21Å; M136-H234 HydrophobicContact CB-CB 3.87Å; M136-H234 HydrophobicContact CE-CB 3.84Å; M136-H234 WeakPolarHBondContact CE-O 3.37Å; M136-H234 HydrophobicContact CG-CB 3.9Å; M136-H234 PolarHBondContact O-CD2 2.8Å; M136-H234 PolarHBondContact O-NE2 2.85Å
137D92.5Very high93.6Very high89 Ų8938.9 Ų38.948%0.47621%0.208SC..  trans44.745.9-179.9-169.625.4000112.8K135 N139K135-D137 VanDerWaalsContact C-N 3.34Å; D137-N139 VanDerWaalsContact C-N 3.28Å; D137-N139 PolarHBondContact O-N 3.34Å; D137-N139 PolarHBondContact O-ND2 3.43Å; D137-N139 PolarHBondContact OD1-ND2 3Å; D137-N139 PolarHBondContact OD2-ND2 3.27Å
138L93.6Very high93.6Very high7 Ų738.5 Ų38.54%0.03721%0.206CC..  trans-69.190.7176.3-166.1168.9000108.5L132 F133 M136 A165 L167 Y211L132-L138 HydrophobicContact CB-CB 4.5Å; L132-L138 HydrophobicContact CB-CD1 4.23Å; L132-L138 HydrophobicContact CD2-CD1 4.05Å; L132-L138 WeakPolarHBondContact O-CB 3.18Å; L132-L138 PolarHBondContact O-N 3.05Å; F133-L138 HydrophobicContact CD1-CB 4.42Å; F133-L138 HydrophobicContact CD1-CD2 4.48Å; F133-L138 VanDerWaalsContact CD1-O 3.24Å; F133-L138 WeakPolarHBondContact CD1-O 3.27Å; F133-L138 HydrophobicContact CE1-CD2 3.98Å; M136-L138 PolarHBondContact O-N 2.83Å; M136-L138 VanDerWaalsContact O-N 3.12Å; L138-A165 HydrophobicContact CD2-CB 3.57Å; L138-L167 HydrophobicContact CD1-CD1 4.16Å; L138-L167 HydrophobicContact CD1-CD2 3.86Å; L138-L167 HydrophobicContact CD2-CD1 3.77Å; L138-L167 HydrophobicContact CG-CD1 4.22Å; L138-L167 HydrophobicContact CG-CD2 4.42Å; L138-Y211 HydrophobicContact CG-CE2 4.47Å
139N81.6Confident93.5Very high103 Ų10341.1 Ų41.155%0.55122%0.22SC*.  trans-114.80.3178.558.638.4000112.6D137D137-N139 VanDerWaalsContact C-N 3.28Å; D137-N139 PolarHBondContact O-N 3.34Å; D137-N139 PolarHBondContact O-ND2 3.43Å; D137-N139 PolarHBondContact OD1-ND2 3Å; D137-N139 PolarHBondContact OD2-ND2 3.27Å
140Q71.5Confident93.4Very high89 Ų8938.7 Ų38.742%0.41621%0.21SC..  trans-90.6139.6-178.8-58.6-173.540.700111.6S142 Y211Q140-S142 PolarHBondContact O-N 3.46Å; Q140-Y211 PolarHBondContact NE2-OH 2.98Å
141N76.8Confident93.3Very high141 Ų14138.9 Ų38.975%0.75421%0.212SC*.SBendtrans-9120.8172.3-64.5-40.1000112.7A165N141-A165 WeakPolarHBondContact CA-O 3.18Å
142S81.5Confident93.2Very high73 Ų7339.3 Ų39.351%0.5122%0.217SC..SBendtrans-156.8160.8-177.862.10000111Q140Q140-S142 PolarHBondContact O-N 3.46Å
143G92.4Very high93.1Very high35 Ų3539.9 Ų39.936%0.36122%0.223SC..  trans116.6-172.6-179.800000111.8L167 T168G143-L167 WeakPolarHBondContact O-CA 3.4Å; G143-T168 PolarHBondContact O-N 3.43Å
144A97.9Very high93.2Very high6 Ų638.8 Ų38.85%0.0522%0.22CC..EExtended strand (participates in β ladder)trans-130.4147-178.800000111.8T168 I170 Y206 L209 P210A144-T168 CarbonylContact C-O 3.59Å; A144-T168 WeakPolarHBondContact CA-O 3.1Å; A144-I170 HydrophobicContact CB-CD1 3.89Å; A144-Y206 HydrophobicContact CB-CD1 4.07Å; A144-Y206 HydrophobicContact CB-CE1 3.48Å; A144-Y206 VanDerWaalsContact CB-CE1 3.48Å; A144-L209 HydrophobicContact CB-CD2 3.62Å; A144-P210 WeakPolarHBondContact O-CD 3.47Å; A144-P210 WeakPolarHBondContact O-CG 3.09Å
145I98.7Very high93.2Very high0 Ų034.8 Ų34.80%020%0.201CC..EExtended strand (participates in β ladder)trans-126137.2174.2-175.7168.7000110.5L132 I147 A162 L167 T168 V169 I170 Y211 L213L132-I145 HydrophobicContact CD2-CD1 3.48Å; L132-I145 VanDerWaalsContact CD2-CD1 3.48Å; I145-I147 HydrophobicContact CD1-CG1 4.13Å; I145-I147 HydrophobicContact CG1-CG1 4.02Å; I145-I147 HydrophobicContact CG2-CD1 4.44Å; I145-I147 HydrophobicContact CG2-CG1 4.4Å; I145-A162 HydrophobicContact CG2-CB 3.73Å; I145-L167 HydrophobicContact CB-CD2 3.91Å; I145-L167 HydrophobicContact CG2-CB 4.4Å; I145-L167 HydrophobicContact CG2-CD2 3.97Å; I145-T168 PolarHBondContact N-O 2.91Å; I145-V169 HydrophobicContact CG2-CB 4.33Å; I145-V169 HydrophobicContact CG2-CG1 4.27Å; I145-V169 HydrophobicContact CG2-CG2 3.83Å; I145-I170 WeakPolarHBondContact O-CD1 3.48Å; I145-I170 PolarHBondContact O-N 3.29Å; I145-Y211 WeakPolarHBondContact CA-O 3.32Å; I145-L213 HydrophobicContact CD1-CB 4.41Å
146L98.8Very high93.3Very high0 Ų030.9 Ų30.90%018%0.184CC..EExtended strand (participates in β ladder)trans-97.6123.9164.917266.5000110.4I148 I170 T172 I191 L201 L209 Y211 I212 L213 M225L146-I148 HydrophobicContact CD2-CG1 4.39Å; L146-I148 HydrophobicContact CG-CG1 4.28Å; L146-I170 CarbonylContact C-O 3.58Å; L146-I170 WeakPolarHBondContact CA-O 3.48Å; L146-I170 HydrophobicContact CD1-CB 4.16Å; L146-I170 HydrophobicContact CD1-CG2 3.82Å; L146-T172 HydrophobicContact CD1-CG2 3.97Å; L146-I191 HydrophobicContact CD1-CD1 4.05Å; L146-L201 HydrophobicContact CD2-CD1 4.09Å; L146-L209 HydrophobicContact CB-CD1 3.41Å; L146-L209 VanDerWaalsContact CB-CD1 3.41Å; L146-L209 HydrophobicContact CD2-CD1 4.32Å; L146-L209 HydrophobicContact CG-CD1 4.47Å; L146-Y211 PolarHBondContact N-O 3.45Å; L146-I212 HydrophobicContact CB-CG1 4.45Å; L146-I212 HydrophobicContact CB-CG2 4.43Å; L146-I212 HydrophobicContact CD2-CG2 4.24Å; L146-I212 WeakPolarHBondContact O-CA 3.32Å; L146-L213 PolarHBondContact O-N 2.84Å; L146-M225 HydrophobicContact CD2-CE 4.43Å; L146-M225 HydrophobicContact CD2-SD 3.52Å; L146-M225 VanDerWaalsContact CD2-SD 3.52Å
147I98.9Very high93.4Very high0 Ų030.9 Ų30.90%018%0.184CC..EExtended strand (participates in β ladder)trans-112.6106.7175.5-54.9174.3000108.9I145 A158 V169 I170 T171 T172 L215I145-I147 HydrophobicContact CD1-CG1 4.13Å; I145-I147 HydrophobicContact CG1-CG1 4.02Å; I145-I147 HydrophobicContact CG2-CD1 4.44Å; I145-I147 HydrophobicContact CG2-CG1 4.4Å; I147-A158 HydrophobicContact CD1-CB 3.9Å; I147-V169 HydrophobicContact CD1-CG1 3.8Å; I147-V169 HydrophobicContact CG1-CG1 4.44Å; I147-I170 PolarHBondContact N-O 2.89Å; I147-T171 HydrophobicContact CB-CG2 4.33Å; I147-T171 WeakPolarHBondContact O-CA 3.3Å; I147-T172 PolarHBondContact O-N 2.81Å; I147-L215 HydrophobicContact CG2-CD1 3.64Å; I147-L215 HydrophobicContact CG2-CG 4.43Å
148I98.6Very high93.7Very high1 Ų126.7 Ų26.71%0.00516%0.162CC..EExtended strand (participates in β ladder)trans-77.2134.8173.1-65.2175.4000108.5L146 T172 L197 L213 I214 L215 Y221 M225L146-I148 HydrophobicContact CD2-CG1 4.39Å; L146-I148 HydrophobicContact CG-CG1 4.28Å; I148-T172 WeakPolarHBondContact CA-OG1 3.48Å; I148-T172 HydrophobicContact CB-CG2 4.42Å; I148-T172 HydrophobicContact CG1-CG2 3.9Å; I148-L197 HydrophobicContact CD1-CD1 4.15Å; I148-L213 PolarHBondContact N-O 2.9Å; I148-I214 HydrophobicContact CD1-CG1 4.24Å; I148-L215 VanDerWaalsContact O-CB 3.25Å; I148-L215 WeakPolarHBondContact O-CB 3.35Å; I148-L215 PolarHBondContact O-N 2.81Å; I148-Y221 HydrophobicContact CD1-CD1 3.76Å; I148-Y221 HydrophobicContact CD1-CD2 4.08Å; I148-Y221 HydrophobicContact CD1-CE1 4.34Å; I148-Y221 HydrophobicContact CD1-CG 3.61Å; I148-Y221 HydrophobicContact CG2-CD2 3.85Å; I148-Y221 HydrophobicContact CG2-CE1 4.47Å; I148-Y221 HydrophobicContact CG2-CE2 3.56Å; I148-Y221 HydrophobicContact CG2-CG 4.41Å; I148-M225 HydrophobicContact CD1-CE 4.3Å; I148-M225 HydrophobicContact CD1-CG 3.88Å; I148-M225 HydrophobicContact CD1-SD 3.72Å
149N97.1Very high93.9Very high56 Ų5626.3 Ų26.330%0.29916%0.16SC..THydrogen-bonded Turntrans64.347.8-170.2-17027.6000113.8A151 G152 T172 L215 H216N149-A151 PolarHBondContact O-N 3.14Å; N149-G152 PolarHBondContact O-N 2.64Å; N149-T172 PolarHBondContact N-OG1 3.29Å; N149-L215 HydrophobicContact CB-CB 4.22Å; N149-L215 PolarHBondContact ND2-O 3.32Å; N149-H216 HydrophobicContact CB-CB 3.72Å
150G96.8Very high94.7Very high0 Ų022 Ų220%014%0.136CC..THydrogen-bonded Turntrans-63.9-20.4-17700000115.4G155 S156 T172G150-G155 CarbonylContact O-C 3.53Å; G150-S156 PolarHBondContact O-N 3.13Å; G150-S156 VanDerWaalsContact O-N 3.11Å; G150-T172 PolarHBondContact N-O 3.33Å
151A97.3Very high96Very high7 Ų717.8 Ų17.86%0.05812%0.117CC..THydrogen-bonded Turntrans-85.8-11.6177.800000114.2N149 S156 G321N149-A151 PolarHBondContact O-N 3.14Å; A151-S156 PolarHBondContact O-OG 2.84Å; A151-G321 PolarHBondContact O-N 3.37Å
152G96.2Very high97.1Very high9 Ų911.1 Ų11.19%0.0938%0.081CC..SBendtrans-71.7172.7175.800000112.3N149 V154 G155 S156N149-G152 PolarHBondContact O-N 2.64Å; G152-V154 PolarHBondContact O-N 2.87Å; G152-G155 PolarHBondContact O-N 3.21Å; G152-S156 VanDerWaalsContact O-CB 3.31Å; G152-S156 WeakPolarHBondContact O-CB 3.45Å; G152-S156 PolarHBondContact O-N 3.2Å; G152-S156 PolarHBondContact O-OG 2.8Å
153G96.6Very high97.8Very high13 Ų1311 Ų1113%0.1347%0.071CC..Hα-helixtrans-55.3-54.6-17800000113.8T124 V157T124-G153 VanDerWaalsContact CG2-C 3.47Å; G153-V157 PolarHBondContact O-N 3.11Å
154V98.3Very high98Very high18 Ų1814.6 Ų14.611%0.1097%0.074CC..Hα-helixtrans-67-39.2177.9-1770000111T124 T127 A128 G152 S156 V157 A158 L215 I238T124-V154 HydrophobicContact CG2-CG2 3.97Å; T127-V154 HydrophobicContact CG2-CG1 4.12Å; T127-V154 HydrophobicContact CG2-CG2 4.25Å; A128-V154 HydrophobicContact CB-CG1 4.15Å; G152-V154 PolarHBondContact O-N 2.87Å; V154-S156 VanDerWaalsContact C-N 3.31Å; V154-S156 PolarHBondContact O-N 3.38Å; V154-V157 PolarHBondContact O-N 3.26Å; V154-A158 VanDerWaalsContact O-CB 3.31Å; V154-A158 WeakPolarHBondContact O-CB 3.26Å; V154-A158 PolarHBondContact O-N 3.39Å; V154-L215 HydrophobicContact CB-CD1 4.09Å; V154-L215 HydrophobicContact CB-CD2 4.33Å; V154-L215 HydrophobicContact CG1-CD1 3.98Å; V154-L215 HydrophobicContact CG1-CD2 3.77Å; V154-I238 HydrophobicContact CB-CD1 4.08Å; V154-I238 HydrophobicContact CG1-CD1 4.16Å; V154-I238 HydrophobicContact CG2-CD1 3.79Å
155G98.5Very high97.9Very high1 Ų114.8 Ų14.81%0.018%0.075CC..Hα-helixtrans-64.1-37.2-17900000113G150 G152 V157 T159 L215G150-G155 CarbonylContact O-C 3.53Å; G152-G155 PolarHBondContact O-N 3.21Å; G155-V157 VanDerWaalsContact C-N 3.34Å; G155-V157 PolarHBondContact O-N 3.13Å; G155-T159 VanDerWaalsContact O-CB 3.32Å; G155-T159 WeakPolarHBondContact O-CB 3.39Å; G155-T159 PolarHBondContact O-N 3.17Å; G155-T159 PolarHBondContact O-OG1 3.2Å; G155-L215 VanDerWaalsContact N-CD1 3.27Å
156S98.8Very high97.8Very high0 Ų016.9 Ų16.90%010%0.097CC..Hα-helixtrans-65.9-38.1177.1-58.60000111.4G150 A151 G152 V154 Q160 W181 T294G150-S156 PolarHBondContact O-N 3.13Å; G150-S156 VanDerWaalsContact O-N 3.11Å; A151-S156 PolarHBondContact O-OG 2.84Å; G152-S156 VanDerWaalsContact O-CB 3.31Å; G152-S156 WeakPolarHBondContact O-CB 3.45Å; G152-S156 PolarHBondContact O-N 3.2Å; G152-S156 PolarHBondContact O-OG 2.8Å; V154-S156 VanDerWaalsContact C-N 3.31Å; V154-S156 PolarHBondContact O-N 3.38Å; S156-Q160 WeakPolarHBondContact O-CG 3.46Å; S156-Q160 PolarHBondContact O-N 2.96Å; S156-Q160 PolarHBondContact O-NE2 3.39Å; S156-W181 PolarHBondContact OG-NE1 2.68Å; S156-T294 VanDerWaalsContact CB-CG2 3.47Å
157V98.7Very high97.7Very high1 Ų117 Ų171%0.00610%0.098CC..Hα-helixtrans-76.6-44.4176.6-176.80000111.7M121 F125 A128 G153 V154 G155 T159 Q160 L161 T294M121-V157 HydrophobicContact CE-CG2 3.88Å; M121-V157 HydrophobicContact SD-CG2 4.39Å; F125-V157 HydrophobicContact CB-CG1 4.05Å; F125-V157 HydrophobicContact CD2-CG1 3.45Å; F125-V157 VanDerWaalsContact CD2-CG1 3.45Å; F125-V157 HydrophobicContact CE2-CG1 4.22Å; F125-V157 HydrophobicContact CG-CG1 4.06Å; A128-V157 HydrophobicContact CB-CB 4.13Å; A128-V157 HydrophobicContact CB-CG1 3.95Å; G153-V157 PolarHBondContact O-N 3.11Å; V154-V157 PolarHBondContact O-N 3.26Å; G155-V157 VanDerWaalsContact C-N 3.34Å; G155-V157 PolarHBondContact O-N 3.13Å; V157-T159 VanDerWaalsContact C-N 3.27Å; V157-T159 PolarHBondContact O-N 3.48Å; V157-Q160 PolarHBondContact O-N 2.72Å; V157-Q160 VanDerWaalsContact O-N 3.09Å; V157-L161 HydrophobicContact CG1-CD1 3.93Å; V157-L161 HydrophobicContact CG1-CG 4.19Å; V157-L161 PolarHBondContact O-N 3.04Å; V157-T294 HydrophobicContact CG2-CG2 3.82Å
158A98.9Very high97.7Very high0 Ų019.1 Ų19.10%011%0.111CC..Hα-helixtrans-59.5-38.4177.400000111.9A128 L132 I147 V154 L161 A162 L213A128-A158 HydrophobicContact CB-CB 3.99Å; L132-A158 HydrophobicContact CD1-CB 4.29Å; I147-A158 HydrophobicContact CD1-CB 3.9Å; V154-A158 VanDerWaalsContact O-CB 3.31Å; V154-A158 WeakPolarHBondContact O-CB 3.26Å; V154-A158 PolarHBondContact O-N 3.39Å; A158-L161 PolarHBondContact O-N 2.86Å; A158-A162 VanDerWaalsContact O-CB 3.25Å; A158-A162 WeakPolarHBondContact O-CB 3.22Å; A158-A162 PolarHBondContact O-N 3.4Å; A158-L213 HydrophobicContact CB-CD2 3.85Å
159T98.9Very high97.7Very high0 Ų019 Ų190%011%0.11CC..Hα-helixtrans-57.3-51.3173-61.50000110.5G155 V157 A162 K163 V169 T171 M185 A187G155-T159 VanDerWaalsContact O-CB 3.32Å; G155-T159 WeakPolarHBondContact O-CB 3.39Å; G155-T159 PolarHBondContact O-N 3.17Å; G155-T159 PolarHBondContact O-OG1 3.2Å; V157-T159 VanDerWaalsContact C-N 3.27Å; V157-T159 PolarHBondContact O-N 3.48Å; T159-A162 PolarHBondContact O-N 2.95Å; T159-K163 WeakPolarHBondContact O-CG 3.49Å; T159-K163 PolarHBondContact O-N 3.39Å; T159-V169 HydrophobicContact CG2-CG1 3.91Å; T159-T171 HydrophobicContact CG2-CG2 4.38Å; T159-T171 WeakPolarHBondContact OG1-CG2 3.44Å; T159-M185 HydrophobicContact CG2-CB 4.03Å; T159-M185 WeakPolarHBondContact CG2-O 3.3Å; T159-A187 HydrophobicContact CG2-CB 4.25Å
160Q98.7Very high97.8Very high13 Ų1316.4 Ų16.46%0.06110%0.096CC..Hα-helixtrans-65.6-41.5-178.9-68.9-17793.400112.6S156 V157 K163 W164 M185 I291 K292S156-Q160 WeakPolarHBondContact O-CG 3.46Å; S156-Q160 PolarHBondContact O-N 2.96Å; S156-Q160 PolarHBondContact O-NE2 3.39Å; V157-Q160 PolarHBondContact O-N 2.72Å; V157-Q160 VanDerWaalsContact O-N 3.09Å; Q160-K163 PolarHBondContact O-N 3.2Å; Q160-W164 VanDerWaalsContact O-CB 3.29Å; Q160-W164 WeakPolarHBondContact O-CB 3.36Å; Q160-W164 PolarHBondContact O-N 3.31Å; Q160-M185 HydrophobicContact CG-CB 4.33Å; Q160-M185 WeakPolarHBondContact CG-O 3.35Å; Q160-M185 HydrophobicContact CG-SD 4.44Å; Q160-I291 HydrophobicContact CB-CB 4.35Å; Q160-I291 HydrophobicContact CB-CG2 4Å; Q160-K292 PolarHBondContact NE2-O 3.39Å; Q160-K292 VanDerWaalsContact NE2-O 3.13Å; Q160-K292 PolarHBondContact OE1-O 3.3Å
161L98.5Very high97.9Very high0 Ų016.4 Ų16.40%010%0.096CC..Hα-helixtrans-66.1-41.1177.5-76.9177000112.3F125 A128 Y129 L132 F133 V157 A158 W164 A165 L285F125-L161 HydrophobicContact CD2-CD1 4.44Å; F125-L161 HydrophobicContact CE2-CD1 4.17Å; F125-L161 HydrophobicContact CE2-CD2 3.71Å; F125-L161 HydrophobicContact CE2-CG 4.11Å; F125-L161 HydrophobicContact CZ-CD1 4.39Å; F125-L161 HydrophobicContact CZ-CD2 3.77Å; A128-L161 HydrophobicContact CB-CD1 3.93Å; Y129-L161 HydrophobicContact CD2-CD1 4.41Å; L132-L161 HydrophobicContact CD1-CB 3.79Å; F133-L161 HydrophobicContact CE2-CB 4.13Å; F133-L161 HydrophobicContact CE2-CD1 4.32Å; F133-L161 HydrophobicContact CE2-CD2 4.24Å; F133-L161 HydrophobicContact CE2-CG 4.47Å; V157-L161 HydrophobicContact CG1-CD1 3.93Å; V157-L161 HydrophobicContact CG1-CG 4.19Å; V157-L161 PolarHBondContact O-N 3.04Å; A158-L161 PolarHBondContact O-N 2.86Å; L161-W164 HydrophobicContact CD2-CE3 4.15Å; L161-W164 WeakPolarHBondContact O-CB 3.27Å; L161-W164 PolarHBondContact O-N 3.15Å; L161-A165 WeakPolarHBondContact O-CB 3.45Å; L161-A165 PolarHBondContact O-N 2.94Å; L161-L285 HydrophobicContact CD2-CD1 4.24Å
162A98.5Very high98Very high0 Ų016.1 Ų16.10%09%0.094CC..Hα-helixtrans-66.1-39.3175.300000112I145 A158 T159 A165 G166 L167 V169I145-A162 HydrophobicContact CG2-CB 3.73Å; A158-A162 VanDerWaalsContact O-CB 3.25Å; A158-A162 WeakPolarHBondContact O-CB 3.22Å; A158-A162 PolarHBondContact O-N 3.4Å; T159-A162 PolarHBondContact O-N 2.95Å; A162-A165 CarbonylContact O-C 3.4Å; A162-A165 PolarHBondContact O-N 3.23Å; A162-G166 PolarHBondContact O-N 3.28Å; A162-L167 HydrophobicContact CB-CB 4.46Å; A162-L167 PolarHBondContact O-N 3.05Å; A162-V169 HydrophobicContact CB-CG2 3.55Å
163K97.6Very high98Very high72 Ų7215.8 Ų15.831%0.3139%0.09SC..Hα-helixtrans-64-41.7171.5-69.7-53.5-65.51760112.2T159 Q160 A165 G166 L167 V169 G186 D188T159-K163 WeakPolarHBondContact O-CG 3.49Å; T159-K163 PolarHBondContact O-N 3.39Å; Q160-K163 PolarHBondContact O-N 3.2Å; K163-A165 PolarHBondContact O-N 3.2Å; K163-G166 PolarHBondContact O-N 2.95Å; K163-L167 PolarHBondContact NZ-O 3.37Å; K163-V169 HydrophobicContact CD-CB 3.96Å; K163-V169 HydrophobicContact CD-CG2 3.48Å; K163-V169 VanDerWaalsContact CD-CG2 3.48Å; K163-V169 HydrophobicContact CG-CB 4.44Å; K163-V169 HydrophobicContact CG-CG2 3.82Å; K163-G186 WeakPolarHBondContact CD-O 3.4Å; K163-G186 VanDerWaalsContact CG-O 3.25Å; K163-G186 WeakPolarHBondContact CG-O 3.46Å; K163-D188 WeakPolarHBondContact CD-OD2 3.21Å; K163-D188 IonicContact NZ-OD1 2.8Å; K163-D188 PolarHBondContact NZ-OD1 3.43Å; K163-D188 IonicContact NZ-OD2 2.73Å; K163-D188 PolarHBondContact NZ-OD2 3.45Å
164W96.2Very high98Very high110 Ų11016.6 Ų16.642%0.4179%0.094SC..Hα-helixtrans-61.5-34.7175.5175.968.4000111.9F133 Q160 L161 G166 L281 L285F133-W164 HydrophobicContact CE1-CZ3 4.46Å; F133-W164 HydrophobicContact CE2-CZ3 4.49Å; F133-W164 HydrophobicContact CZ-CE3 4.06Å; F133-W164 AromaticContact CZ-CZ3 3.98Å; F133-W164 HydrophobicContact CZ-CZ3 3.98Å; Q160-W164 VanDerWaalsContact O-CB 3.29Å; Q160-W164 WeakPolarHBondContact O-CB 3.36Å; Q160-W164 PolarHBondContact O-N 3.31Å; L161-W164 HydrophobicContact CD2-CE3 4.15Å; L161-W164 WeakPolarHBondContact O-CB 3.27Å; L161-W164 PolarHBondContact O-N 3.15Å; W164-G166 VanDerWaalsContact C-N 3.26Å; W164-G166 PolarHBondContact O-N 2.85Å; W164-L281 HydrophobicContact CH2-CD1 4.37Å; W164-L281 HydrophobicContact CH2-CD2 4.35Å; W164-L285 HydrophobicContact CD2-CD1 4.35Å; W164-L285 HydrophobicContact CD2-CD2 4.44Å; W164-L285 HydrophobicContact CZ2-CD2 4.03Å
165A96Very high97.8Very high9 Ų920 Ų207%0.07411%0.105CC..THydrogen-bonded Turntrans-803172.700000114.5F133 L138 N141 L161 A162 K163 L167F133-A165 HydrophobicContact CE1-CB 4.03Å; F133-A165 HydrophobicContact CZ-CB 4.1Å; L138-A165 HydrophobicContact CD2-CB 3.57Å; N141-A165 WeakPolarHBondContact CA-O 3.18Å; L161-A165 WeakPolarHBondContact O-CB 3.45Å; L161-A165 PolarHBondContact O-N 2.94Å; A162-A165 CarbonylContact O-C 3.4Å; A162-A165 PolarHBondContact O-N 3.23Å; K163-A165 PolarHBondContact O-N 3.2Å; A165-L167 HydrophobicContact CB-CD1 4.15Å
166G95.6Very high97.7Very high45 Ų4526.6 Ų26.646%0.46413%0.133SC..THydrogen-bonded Turntrans84.311.9174.100000115.9A162 K163 W164A162-G166 PolarHBondContact O-N 3.28Å; K163-G166 PolarHBondContact O-N 2.95Å; W164-G166 VanDerWaalsContact C-N 3.26Å; W164-G166 PolarHBondContact O-N 2.85Å
167L97.9Very high97.7Very high1 Ų131.7 Ų31.71%0.00516%0.157CC..  trans-79157176.8-81.570.3000112.2L138 G143 I145 A162 K163 A165 Y211L138-L167 HydrophobicContact CD1-CD1 4.16Å; L138-L167 HydrophobicContact CD1-CD2 3.86Å; L138-L167 HydrophobicContact CD2-CD1 3.77Å; L138-L167 HydrophobicContact CG-CD1 4.22Å; L138-L167 HydrophobicContact CG-CD2 4.42Å; G143-L167 WeakPolarHBondContact O-CA 3.4Å; I145-L167 HydrophobicContact CB-CD2 3.91Å; I145-L167 HydrophobicContact CG2-CB 4.4Å; I145-L167 HydrophobicContact CG2-CD2 3.97Å; A162-L167 HydrophobicContact CB-CB 4.46Å; A162-L167 PolarHBondContact O-N 3.05Å; K163-L167 PolarHBondContact NZ-O 3.37Å; A165-L167 HydrophobicContact CB-CD1 4.15Å; L167-Y211 HydrophobicContact CD2-CD2 3.72Å; L167-Y211 HydrophobicContact CD2-CE2 4.16Å
168T98.4Very high97.6Very high45 Ų4532 Ų3228%0.27616%0.159SC..EExtended strand (participates in β ladder)trans-79.4126.1158.4-55.80000108.9G143 A144 I145 D188 Y206G143-T168 PolarHBondContact O-N 3.43Å; A144-T168 CarbonylContact C-O 3.59Å; A144-T168 WeakPolarHBondContact CA-O 3.1Å; I145-T168 PolarHBondContact N-O 2.91Å; T168-D188 WeakPolarHBondContact CA-OD2 3.43Å; T168-D188 HydrophobicContact CG2-CB 3.83Å; T168-Y206 VanDerWaalsContact CG2-OH 3.27Å; T168-Y206 WeakPolarHBondContact CG2-OH 3.46Å
169V98.7Very high97.6Very high0 Ų035.8 Ų35.80%018%0.175CC..EExtended strand (participates in β ladder)trans-109.3118.7-174.5-178.90000110.3I145 I147 T159 A162 K163 T171 D188 H189I145-V169 HydrophobicContact CG2-CB 4.33Å; I145-V169 HydrophobicContact CG2-CG1 4.27Å; I145-V169 HydrophobicContact CG2-CG2 3.83Å; I147-V169 HydrophobicContact CD1-CG1 3.8Å; I147-V169 HydrophobicContact CG1-CG1 4.44Å; T159-V169 HydrophobicContact CG2-CG1 3.91Å; A162-V169 HydrophobicContact CB-CG2 3.55Å; K163-V169 HydrophobicContact CD-CB 3.96Å; K163-V169 HydrophobicContact CD-CG2 3.48Å; K163-V169 VanDerWaalsContact CD-CG2 3.48Å; K163-V169 HydrophobicContact CG-CB 4.44Å; K163-V169 HydrophobicContact CG-CG2 3.82Å; V169-T171 HydrophobicContact CG1-CG2 3.88Å; V169-D188 PolarHBondContact N-OD2 2.83Å; V169-D188 PolarHBondContact O-N 3.28Å; V169-H189 PolarHBondContact O-N 3.06Å
170I98.9Very high97.5Very high0 Ų040.6 Ų40.60%020%0.198CC..EExtended strand (participates in β ladder)trans-100.7127.6168.8-53.992.2000107.7A144 I145 L146 I147 H189 I191 L201 I204 Y206 L209A144-I170 HydrophobicContact CB-CD1 3.89Å; I145-I170 WeakPolarHBondContact O-CD1 3.48Å; I145-I170 PolarHBondContact O-N 3.29Å; L146-I170 CarbonylContact C-O 3.58Å; L146-I170 WeakPolarHBondContact CA-O 3.48Å; L146-I170 HydrophobicContact CD1-CB 4.16Å; L146-I170 HydrophobicContact CD1-CG2 3.82Å; I147-I170 PolarHBondContact N-O 2.89Å; I170-H189 CarbonylContact C-O 3.56Å; I170-H189 WeakPolarHBondContact CA-O 2.96Å; I170-H189 HydrophobicContact CB-CB 4.42Å; I170-H189 HydrophobicContact CG1-CB 4Å; I170-H189 HydrophobicContact CG2-CB 4.15Å; I170-I191 HydrophobicContact CG2-CD1 4.06Å; I170-I191 HydrophobicContact CG2-CG1 4.18Å; I170-I191 HydrophobicContact CG2-CG2 4.41Å; I170-L201 HydrophobicContact CG2-CD2 4.02Å; I170-I204 HydrophobicContact CG1-CD1 4.35Å; I170-I204 HydrophobicContact CG2-CD1 4.4Å; I170-Y206 HydrophobicContact CD1-CD2 4.32Å; I170-Y206 HydrophobicContact CD1-CE1 4.38Å; I170-Y206 HydrophobicContact CD1-CE2 4.12Å; I170-Y206 HydrophobicContact CG1-CD2 4.43Å; I170-Y206 HydrophobicContact CG1-CE2 4.29Å; I170-L209 HydrophobicContact CD1-CD2 4.16Å
171T98.8Very high97.5Very high0 Ų041 Ų410%020%0.199CC..EExtended strand (participates in β ladder)trans-117.6157.7173.665.30000111.8I147 T159 V169 S182 A187 H189 I190 I191I147-T171 HydrophobicContact CB-CG2 4.33Å; I147-T171 WeakPolarHBondContact O-CA 3.3Å; T159-T171 HydrophobicContact CG2-CG2 4.38Å; T159-T171 WeakPolarHBondContact OG1-CG2 3.44Å; V169-T171 HydrophobicContact CG1-CG2 3.88Å; T171-S182 WeakPolarHBondContact OG1-CB 3.14Å; T171-A187 HydrophobicContact CG2-CB 3.61Å; T171-H189 PolarHBondContact N-O 3.05Å; T171-I190 WeakPolarHBondContact O-CA 3.46Å; T171-I191 PolarHBondContact O-N 2.74Å
172T98.6Very high97.5Very high2 Ų241 Ų411%0.01220%0.199CC..EExtended strand (participates in β ladder)trans-100.5126.8168.275.70000112.1L146 I147 I148 N149 G150 I191 H193 L197L146-T172 HydrophobicContact CD1-CG2 3.97Å; I147-T172 PolarHBondContact O-N 2.81Å; I148-T172 WeakPolarHBondContact CA-OG1 3.48Å; I148-T172 HydrophobicContact CB-CG2 4.42Å; I148-T172 HydrophobicContact CG1-CG2 3.9Å; N149-T172 PolarHBondContact N-OG1 3.29Å; G150-T172 PolarHBondContact N-O 3.33Å; T172-I191 CarbonylContact C-O 3.48Å; T172-I191 WeakPolarHBondContact CA-O 3.34Å; T172-I191 HydrophobicContact CG2-CD1 4.45Å; T172-I191 HydrophobicContact CG2-CG1 4.02Å; T172-H193 HydrophobicContact CG2-CB 4.35Å; T172-L197 HydrophobicContact CG2-CD1 4.34Å; T172-L197 HydrophobicContact CG2-CD2 3.86Å
173A97.3Very high97.5Very high2 Ų247.3 Ų47.32%0.01723%0.228CC..  trans-153146.7172.600000111K179 I190 I191A173-K179 HydrophobicContact CB-CG 3.88Å; A173-K179 WeakPolarHBondContact O-CE 3.37Å; A173-I190 HydrophobicContact CB-CG2 3.79Å; A173-I191 PolarHBondContact N-O 3.36Å
174S95.5Very high97.6Very high29 Ų2950 Ų5020%0.20324%0.24CC..  trans-114.9-44.7-172.657.70000113.5K179 N192 H193 H194S174-K179 WeakPolarHBondContact O-CE 3.37Å; S174-N192 WeakPolarHBondContact CB-OD1 3.26Å; S174-H193 PolarHBondContact OG-CE1 3.47Å; S174-H193 PolarHBondContact OG-NE2 3.18Å; S174-H194 WeakPolarHBondContact CB-CD2 3.23Å; S174-H194 PolarHBondContact OG-NE2 3.07Å
175R95.5Very high97.7Very high91 Ų9145 Ų4534%0.34322%0.221SC..SBendtrans-76.5150.3177.7-60.3179.3-68.31612.3111.4E177 S178 K179 D318R175-E177 VanDerWaalsContact C-N 3.31Å; R175-E177 PolarHBondContact O-N 2.95Å; R175-S178 WeakPolarHBondContact CA-OG 3.38Å; R175-S178 WeakPolarHBondContact CB-OG 3.3Å; R175-S178 PolarHBondContact N-OG 3.41Å; R175-S178 VanDerWaalsContact N-OG 3.1Å; R175-S178 PolarHBondContact O-N 2.93Å; R175-S178 PolarHBondContact O-OG 3.49Å; R175-K179 WeakPolarHBondContact O-CG 3.32Å; R175-K179 PolarHBondContact O-N 3.39Å; R175-D318 VanDerWaalsContact NH1-CB 3.35Å; R175-D318 PolarHBondContact NH1-O 2.88Å; R175-D318 IonicContact NH1-OD2 3.73Å; R175-D318 VanDerWaalsContact NH2-C 3.34Å; R175-D318 PolarHBondContact NH2-O 3.42Å
176K96.9Very high97.8Very high139 Ų13945.8 Ų45.860%0.60423%0.23SC*.Hα-helixtrans-55.5-49-178.6179.1-178.7169-174.30111S178 K179 E180K176-S178 VanDerWaalsContact C-N 3.33Å; K176-S178 PolarHBondContact O-N 2.94Å; K176-K179 WeakPolarHBondContact O-CB 3.32Å; K176-K179 PolarHBondContact O-N 3.44Å; K176-K179 VanDerWaalsContact O-N 3.1Å; K176-E180 WeakPolarHBondContact CE-OE1 3.47Å; K176-E180 IonicContact NZ-OE1 3.36Å; K176-E180 WeakPolarHBondContact O-CG 3.41Å; K176-E180 PolarHBondContact O-N 2.83Å
177E97Very high97.9Very high107 Ų10744.1 Ų44.150%0.521%0.212SC..Hα-helixtrans-62.3-41.5-178.6-57.273.6-16100110.9R175 K179 W181 I320R175-E177 VanDerWaalsContact C-N 3.31Å; R175-E177 PolarHBondContact O-N 2.95Å; E177-K179 VanDerWaalsContact C-N 3.31Å; E177-K179 PolarHBondContact O-N 3Å; E177-W181 VanDerWaalsContact O-CB 3.3Å; E177-W181 WeakPolarHBondContact O-CB 3.37Å; E177-W181 PolarHBondContact O-N 3.47Å; E177-I320 HydrophobicContact CB-CD1 3.55Å
178S97.3Very high98Very high6 Ų647.5 Ų47.54%0.04223%0.23CC..Hα-helixtrans-68.3-29.5177.564.10000113.1R175 K176 S182R175-S178 WeakPolarHBondContact CA-OG 3.38Å; R175-S178 WeakPolarHBondContact CB-OG 3.3Å; R175-S178 PolarHBondContact N-OG 3.41Å; R175-S178 VanDerWaalsContact N-OG 3.1Å; R175-S178 PolarHBondContact O-N 2.93Å; R175-S178 PolarHBondContact O-OG 3.49Å; K176-S178 VanDerWaalsContact C-N 3.33Å; K176-S178 PolarHBondContact O-N 2.94Å; S178-S182 WeakPolarHBondContact O-CB 3.32Å; S178-S182 PolarHBondContact O-N 2.57Å; S178-S182 VanDerWaalsContact O-N 3.08Å; S178-S182 PolarHBondContact O-OG 2.87Å
179K98.3Very high98Very high80 Ų8048.5 Ų48.535%0.34823%0.231SC..Hα-helixtrans-73.7-50.9174.8-66.7175.2-179.6176.40110.7A173 S174 R175 K176 E177 W181 S182 E183 I190A173-K179 HydrophobicContact CB-CG 3.88Å; A173-K179 WeakPolarHBondContact O-CE 3.37Å; S174-K179 WeakPolarHBondContact O-CE 3.37Å; R175-K179 WeakPolarHBondContact O-CG 3.32Å; R175-K179 PolarHBondContact O-N 3.39Å; K176-K179 WeakPolarHBondContact O-CB 3.32Å; K176-K179 PolarHBondContact O-N 3.44Å; K176-K179 VanDerWaalsContact O-N 3.1Å; E177-K179 VanDerWaalsContact C-N 3.31Å; E177-K179 PolarHBondContact O-N 3Å; K179-W181 PolarHBondContact O-N 3.36Å; K179-S182 WeakPolarHBondContact O-CB 3.36Å; K179-S182 PolarHBondContact O-N 2.58Å; K179-E183 PolarHBondContact O-N 3.12Å; K179-I190 HydrophobicContact CB-CD1 4.27Å; K179-I190 HydrophobicContact CB-CG2 4.26Å; K179-I190 HydrophobicContact CG-CG2 3.81Å; K179-I190 VanDerWaalsContact O-CD1 3.23Å; K179-I190 WeakPolarHBondContact O-CD1 3.38Å
180E98.3Very high98Very high101 Ų10151 Ų5147%0.47224%0.244SC..Hα-helixtrans-56.9-39.8176.7-70.4172.917300111.2K176 K184K176-E180 WeakPolarHBondContact CE-OE1 3.47Å; K176-E180 IonicContact NZ-OE1 3.36Å; K176-E180 WeakPolarHBondContact O-CG 3.41Å; K176-E180 PolarHBondContact O-N 2.83Å; E180-K184 WeakPolarHBondContact O-CB 2.97Å; E180-K184 PolarHBondContact O-N 3.28Å
181W98.4Very high98Very high22 Ų2251.4 Ų51.48%0.08325%0.247CC..Hα-helixtrans-64.4-45.6173.4180-98.3000112.9S156 E177 K179 E183 K184 M185 T296 I320S156-W181 PolarHBondContact OG-NE1 2.68Å; E177-W181 VanDerWaalsContact O-CB 3.3Å; E177-W181 WeakPolarHBondContact O-CB 3.37Å; E177-W181 PolarHBondContact O-N 3.47Å; K179-W181 PolarHBondContact O-N 3.36Å; W181-E183 VanDerWaalsContact C-N 3.3Å; W181-E183 PolarHBondContact O-N 3.42Å; W181-K184 HydrophobicContact CE3-CD 4.06Å; W181-K184 HydrophobicContact CZ3-CD 4.1Å; W181-K184 WeakPolarHBondContact O-CB 3.38Å; W181-K184 PolarHBondContact O-N 3.05Å; W181-M185 HydrophobicContact CD2-CE 4.38Å; W181-M185 HydrophobicContact CD2-CG 4.42Å; W181-M185 HydrophobicContact CE3-CE 4.43Å; W181-M185 HydrophobicContact CH2-CE 3.8Å; W181-M185 HydrophobicContact CH2-SD 4.37Å; W181-M185 HydrophobicContact CZ2-CE 3.72Å; W181-M185 HydrophobicContact CZ2-CG 4.23Å; W181-M185 HydrophobicContact CZ2-SD 3.73Å; W181-M185 HydrophobicContact CZ3-CE 4.18Å; W181-M185 WeakPolarHBondContact O-CG 3.23Å; W181-M185 PolarHBondContact O-N 3.44Å; W181-T296 HydrophobicContact CE3-CG2 4.08Å; W181-T296 HydrophobicContact CH2-CG2 3.37Å; W181-T296 HydrophobicContact CZ2-CG2 3.88Å; W181-T296 HydrophobicContact CZ3-CG2 3.47Å; W181-T296 VanDerWaalsContact CZ3-CG2 3.47Å; W181-I320 HydrophobicContact CB-CG2 3.48Å; W181-I320 VanDerWaalsContact CB-CG2 3.48Å; W181-I320 VanDerWaalsContact CD1-CG2 3.46Å; W181-I320 HydrophobicContact CD2-CG2 3.5Å; W181-I320 VanDerWaalsContact CD2-CG2 3.5Å; W181-I320 HydrophobicContact CE3-CG2 4.13Å; W181-I320 HydrophobicContact CG-CG2 3.14Å
182S98.5Very high97.9Very high0 Ų052.7 Ų52.70%025%0.253CS..Hα-helixtrans-61.3-40.4178.4-60.20000111.7T171 S178 K179 M185 G186 A187T171-S182 WeakPolarHBondContact OG1-CB 3.14Å; S178-S182 WeakPolarHBondContact O-CB 3.32Å; S178-S182 PolarHBondContact O-N 2.57Å; S178-S182 VanDerWaalsContact O-N 3.08Å; S178-S182 PolarHBondContact O-OG 2.87Å; K179-S182 WeakPolarHBondContact O-CB 3.36Å; K179-S182 PolarHBondContact O-N 2.58Å; S182-M185 PolarHBondContact O-N 3.2Å; S182-G186 PolarHBondContact O-N 3.43Å; S182-A187 VanDerWaalsContact O-CB 3.26Å; S182-A187 WeakPolarHBondContact O-CB 3.37Å; S182-A187 PolarHBondContact O-N 3.44Å
183E98.4Very high97.7Very high132 Ų13254.2 Ų54.262%0.61726%0.26SS*.Hα-helixtrans-63.1-45.5173.5-172.4174.1-168.800111.1K179 W181 M185 G186 I190K179-E183 PolarHBondContact O-N 3.12Å; W181-E183 VanDerWaalsContact C-N 3.3Å; W181-E183 PolarHBondContact O-N 3.42Å; E183-M185 PolarHBondContact O-N 3.24Å; E183-G186 WeakPolarHBondContact O-CA 3.43Å; E183-G186 PolarHBondContact O-N 2.94Å; E183-I190 HydrophobicContact CB-CD1 3.93Å
184K98.2Very high97.6Very high128 Ų12860 Ų6056%0.55729%0.286SS*.Hα-helixtrans-58.4-34.1175.4-176.8-172.6175.1-172.60112.7E180 W181 G186E180-K184 WeakPolarHBondContact O-CB 2.97Å; E180-K184 PolarHBondContact O-N 3.28Å; W181-K184 HydrophobicContact CE3-CD 4.06Å; W181-K184 HydrophobicContact CZ3-CD 4.1Å; W181-K184 WeakPolarHBondContact O-CB 3.38Å; W181-K184 PolarHBondContact O-N 3.05Å; K184-G186 VanDerWaalsContact C-N 3.26Å
185M98.5Very high97.5Very high6 Ų665 Ų653%0.0331%0.305CS..THydrogen-bonded Turntrans-77.8-9.8175.4-65.1-58.89800113.1T159 Q160 W181 S182 E183 T294T159-M185 HydrophobicContact CG2-CB 4.03Å; T159-M185 WeakPolarHBondContact CG2-O 3.3Å; Q160-M185 HydrophobicContact CG-CB 4.33Å; Q160-M185 WeakPolarHBondContact CG-O 3.35Å; Q160-M185 HydrophobicContact CG-SD 4.44Å; W181-M185 HydrophobicContact CD2-CE 4.38Å; W181-M185 HydrophobicContact CD2-CG 4.42Å; W181-M185 HydrophobicContact CE3-CE 4.43Å; W181-M185 HydrophobicContact CH2-CE 3.8Å; W181-M185 HydrophobicContact CH2-SD 4.37Å; W181-M185 HydrophobicContact CZ2-CE 3.72Å; W181-M185 HydrophobicContact CZ2-CG 4.23Å; W181-M185 HydrophobicContact CZ2-SD 3.73Å; W181-M185 HydrophobicContact CZ3-CE 4.18Å; W181-M185 WeakPolarHBondContact O-CG 3.23Å; W181-M185 PolarHBondContact O-N 3.44Å; S182-M185 PolarHBondContact O-N 3.2Å; E183-M185 PolarHBondContact O-N 3.24Å; M185-T294 HydrophobicContact SD-CG2 4.31Å
186G98.2Very high97.5Very high25 Ų2563.7 Ų63.726%0.25831%0.305SS..THydrogen-bonded Turntrans109.812.1172.400000115.4K163 S182 E183 K184 D188K163-G186 WeakPolarHBondContact CD-O 3.4Å; K163-G186 VanDerWaalsContact CG-O 3.25Å; K163-G186 WeakPolarHBondContact CG-O 3.46Å; S182-G186 PolarHBondContact O-N 3.43Å; E183-G186 WeakPolarHBondContact O-CA 3.43Å; E183-G186 PolarHBondContact O-N 2.94Å; K184-G186 VanDerWaalsContact C-N 3.26Å; G186-D188 PolarHBondContact O-N 3.46Å
187A98.7Very high97.5Very high10 Ų1057.1 Ų57.18%0.08328%0.276CS..  trans-61.2130.5174.100000111.1T159 T171 S182 I190T159-A187 HydrophobicContact CG2-CB 4.25Å; T171-A187 HydrophobicContact CG2-CB 3.61Å; S182-A187 VanDerWaalsContact O-CB 3.26Å; S182-A187 WeakPolarHBondContact O-CB 3.37Å; S182-A187 PolarHBondContact O-N 3.44Å; A187-I190 HydrophobicContact CB-CG1 4.08Å
188D98.7Very high97.5Very high73 Ų7353.1 Ų53.139%0.3926%0.259SS..SBendtrans-82.5-32.3177.2-55.6-77.9000111.5K163 T168 V169 G186K163-D188 WeakPolarHBondContact CD-OD2 3.21Å; K163-D188 IonicContact NZ-OD1 2.8Å; K163-D188 PolarHBondContact NZ-OD1 3.43Å; K163-D188 IonicContact NZ-OD2 2.73Å; K163-D188 PolarHBondContact NZ-OD2 3.45Å; T168-D188 WeakPolarHBondContact CA-OD2 3.43Å; T168-D188 HydrophobicContact CG2-CB 3.83Å; V169-D188 PolarHBondContact N-OD2 2.83Å; V169-D188 PolarHBondContact O-N 3.28Å; G186-D188 PolarHBondContact O-N 3.46Å
189H98.7Very high97.5Very high65 Ų6559.8 Ų59.830%0.30129%0.287SS..EExtended strand (participates in β ladder)trans-135.1141.9176.5-56.7-54.8000111.1V169 I170 T171 I204 Y206V169-H189 PolarHBondContact O-N 3.06Å; I170-H189 CarbonylContact C-O 3.56Å; I170-H189 WeakPolarHBondContact CA-O 2.96Å; I170-H189 HydrophobicContact CB-CB 4.42Å; I170-H189 HydrophobicContact CG1-CB 4Å; I170-H189 HydrophobicContact CG2-CB 4.15Å; T171-H189 PolarHBondContact N-O 3.05Å; H189-I204 HydrophobicContact CB-CD1 3.74Å; H189-Y206 AromaticContact CD2-CE2 3.66Å; H189-Y206 AromaticContact NE2-CE2 3.83Å
190I98.7Very high97.5Very high52 Ų5257.8 Ų57.827%0.26728%0.279SS..EExtended strand (participates in β ladder)trans-128.6119.7179.5-54160.4000109.3T171 A173 K179 E183 A187T171-I190 WeakPolarHBondContact O-CA 3.46Å; A173-I190 HydrophobicContact CB-CG2 3.79Å; K179-I190 HydrophobicContact CB-CD1 4.27Å; K179-I190 HydrophobicContact CB-CG2 4.26Å; K179-I190 HydrophobicContact CG-CG2 3.81Å; K179-I190 VanDerWaalsContact O-CD1 3.23Å; K179-I190 WeakPolarHBondContact O-CD1 3.38Å; E183-I190 HydrophobicContact CB-CD1 3.93Å; A187-I190 HydrophobicContact CB-CG1 4.08Å
191I98.5Very high97.5Very high10 Ų1053 Ų535%0.05126%0.257CS..EExtended strand (participates in β ladder)trans-116159.7-179.863.9179.5000111L146 I170 T171 T172 A173 L197 Q200 L201 I204L146-I191 HydrophobicContact CD1-CD1 4.05Å; I170-I191 HydrophobicContact CG2-CD1 4.06Å; I170-I191 HydrophobicContact CG2-CG1 4.18Å; I170-I191 HydrophobicContact CG2-CG2 4.41Å; T171-I191 PolarHBondContact O-N 2.74Å; T172-I191 CarbonylContact C-O 3.48Å; T172-I191 WeakPolarHBondContact CA-O 3.34Å; T172-I191 HydrophobicContact CG2-CD1 4.45Å; T172-I191 HydrophobicContact CG2-CG1 4.02Å; A173-I191 PolarHBondContact N-O 3.36Å; I191-L197 HydrophobicContact CD1-CB 4.47Å; I191-L197 HydrophobicContact CD1-CD2 3.66Å; I191-L197 HydrophobicContact CG1-CD2 3.89Å; I191-Q200 HydrophobicContact CB-CB 4.08Å; I191-Q200 HydrophobicContact CD1-CB 4.48Å; I191-Q200 HydrophobicContact CG2-CB 3.97Å; I191-L201 HydrophobicContact CD1-CD2 3.84Å; I191-L201 HydrophobicContact CD1-CG 3.84Å; I191-I204 HydrophobicContact CG2-CD1 4.26Å
192N97.7Very high97.4Very high27 Ų2756.9 Ų56.914%0.14427%0.274CS..  trans-96.8117-174.4-173.4-21.7000110.9S174 H194 K195 Q200S174-N192 WeakPolarHBondContact CB-OD1 3.26Å; N192-H194 PolarHBondContact O-N 3.3Å; N192-H194 WeakPolarHBondContact OD1-CB 2.77Å; N192-H194 PolarHBondContact OD1-CD2 3.24Å; N192-H194 PolarHBondContact OD1-N 3.34Å; N192-K195 HydrophobicContact CB-CD 4.36Å; N192-K195 HydrophobicContact CB-CG 4.38Å; N192-K195 PolarHBondContact O-N 3.28Å; N192-Q200 PolarHBondContact O-NE2 3.08Å
193H95.3Very high97.4Very high34 Ų3465.9 Ų65.916%0.15731%0.313CS..THydrogen-bonded Turntrans-69.4-10.3179.254.7-103.3000115.2T172 S174 L197 R220 Y221T172-H193 HydrophobicContact CG2-CB 4.35Å; S174-H193 PolarHBondContact OG-CE1 3.47Å; S174-H193 PolarHBondContact OG-NE2 3.18Å; H193-L197 HydrophobicContact CB-CD2 4.5Å; H193-R220 PolarHBondContact O-NH2 3.32Å; H193-Y221 WeakPolarHBondContact CB-OH 3.45Å
194H93.2Very high97.4Very high122 Ų12262.5 Ų62.557%0.56530%0.299SS*.THydrogen-bonded Turntrans-82.7-3.3169.1-57.8-71.4000113.3S174 N192S174-H194 WeakPolarHBondContact CB-CD2 3.23Å; S174-H194 PolarHBondContact OG-NE2 3.07Å; N192-H194 PolarHBondContact O-N 3.3Å; N192-H194 WeakPolarHBondContact OD1-CB 2.77Å; N192-H194 PolarHBondContact OD1-CD2 3.24Å; N192-H194 PolarHBondContact OD1-N 3.34Å
195K94.9Very high97.3Very high135 Ų13558.9 Ų58.959%0.58730%0.298SS*.SBendtrans-115.9164.5176.9-60.9-176.3-178.4-173.70109.1N192 L197 Q200N192-K195 HydrophobicContact CB-CD 4.36Å; N192-K195 HydrophobicContact CB-CG 4.38Å; N192-K195 PolarHBondContact O-N 3.28Å; K195-L197 PolarHBondContact O-N 2.97Å; K195-L197 VanDerWaalsContact O-N 3.08Å; K195-Q200 PolarHBondContact O-NE2 3.02Å
196D94.8Very high97.3Very high64 Ų6461 Ų6134%0.34231%0.306SS..  trans-53111.2173.5-175.4-44.2000110T198 K199 Q200D196-T198 WeakPolarHBondContact OD1-CB 3.22Å; D196-T198 PolarHBondContact OD1-N 2.58Å; D196-K199 HydrophobicContact CB-CB 4.22Å; D196-K199 HydrophobicContact CB-CD 4.15Å; D196-K199 HydrophobicContact CB-CG 4.38Å; D196-K199 WeakPolarHBondContact OD1-CB 3.43Å; D196-K199 WeakPolarHBondContact OD1-CG 3.23Å; D196-K199 PolarHBondContact OD1-N 3.04Å; D196-K199 WeakPolarHBondContact OD2-CD 3.36Å; D196-K199 WeakPolarHBondContact OD2-CE 3.4Å; D196-K199 WeakPolarHBondContact OD2-CG 3.49Å; D196-K199 IonicContact OD2-NZ 3.13Å; D196-K199 PolarHBondContact OD2-NZ 3.09Å; D196-K199 VanDerWaalsContact OD2-NZ 3.13Å; D196-Q200 WeakPolarHBondContact O-CG 3.14Å; D196-Q200 PolarHBondContact O-N 3.46Å; D196-Q200 PolarHBondContact O-NE2 2.82Å
197L97.2Very high97.2Very high1 Ų166.1 Ų66.11%0.00532%0.323CS..Hα-helixtrans-72.9-40.5-174.6-68.5177.3000109.6I148 T172 I191 H193 K195 K199 Q200 L201 Y221 E224 M225I148-L197 HydrophobicContact CD1-CD1 4.15Å; T172-L197 HydrophobicContact CG2-CD1 4.34Å; T172-L197 HydrophobicContact CG2-CD2 3.86Å; I191-L197 HydrophobicContact CD1-CB 4.47Å; I191-L197 HydrophobicContact CD1-CD2 3.66Å; I191-L197 HydrophobicContact CG1-CD2 3.89Å; H193-L197 HydrophobicContact CB-CD2 4.5Å; K195-L197 PolarHBondContact O-N 2.97Å; K195-L197 VanDerWaalsContact O-N 3.08Å; L197-K199 PolarHBondContact O-N 2.81Å; L197-Q200 PolarHBondContact O-N 3.39Å; L197-Q200 VanDerWaalsContact O-N 3.13Å; L197-L201 WeakPolarHBondContact O-CB 3.48Å; L197-L201 VanDerWaalsContact O-CG 3.32Å; L197-L201 WeakPolarHBondContact O-CG 3.27Å; L197-L201 PolarHBondContact O-N 3.46Å; L197-Y221 HydrophobicContact CD1-CD1 3.89Å; L197-Y221 HydrophobicContact CD1-CE1 3.81Å; L197-E224 WeakPolarHBondContact CB-OE1 3.08Å; L197-E224 PolarHBondContact N-OE1 2.8Å; L197-M225 HydrophobicContact CB-CE 4.22Å; L197-M225 HydrophobicContact CD1-CE 3.72Å
198T96.1Very high97.2Very high23 Ų2367.6 Ų67.614%0.14133%0.333CS..Hα-helixtrans-55.3-48.4177.4-600000112.4D196 L201 K202 E224 L228D196-T198 WeakPolarHBondContact OD1-CB 3.22Å; D196-T198 PolarHBondContact OD1-N 2.58Å; T198-L201 PolarHBondContact O-N 2.7Å; T198-K202 HydrophobicContact CG2-CD 4.17Å; T198-K202 WeakPolarHBondContact O-CB 3.42Å; T198-K202 VanDerWaalsContact O-CG 3.32Å; T198-K202 WeakPolarHBondContact O-CG 3.35Å; T198-K202 PolarHBondContact O-N 3.44Å; T198-E224 PolarHBondContact N-OE1 3.49Å; T198-E224 WeakPolarHBondContact OG1-CG 3.49Å; T198-E224 PolarHBondContact OG1-OE1 2.88Å; T198-L228 HydrophobicContact CG2-CD2 4.01Å; T198-L228 WeakPolarHBondContact OG1-CD1 3.36Å
199K97.3Very high97.1Very high145 Ų14564.2 Ų64.263%0.6332%0.315SS*.Hα-helixtrans-65.3-38.9177-75.3177.6-170.3152.50112.3D196 L197 K203D196-K199 HydrophobicContact CB-CB 4.22Å; D196-K199 HydrophobicContact CB-CD 4.15Å; D196-K199 HydrophobicContact CB-CG 4.38Å; D196-K199 WeakPolarHBondContact OD1-CB 3.43Å; D196-K199 WeakPolarHBondContact OD1-CG 3.23Å; D196-K199 PolarHBondContact OD1-N 3.04Å; D196-K199 WeakPolarHBondContact OD2-CD 3.36Å; D196-K199 WeakPolarHBondContact OD2-CE 3.4Å; D196-K199 WeakPolarHBondContact OD2-CG 3.49Å; D196-K199 IonicContact OD2-NZ 3.13Å; D196-K199 PolarHBondContact OD2-NZ 3.09Å; D196-K199 VanDerWaalsContact OD2-NZ 3.13Å; L197-K199 PolarHBondContact O-N 2.81Å; K199-K203 WeakPolarHBondContact O-CB 3.07Å; K199-K203 PolarHBondContact O-N 2.71Å; K199-K203 VanDerWaalsContact O-N 3.07Å
200Q98.4Very high97Very high39 Ų3962.2 Ų62.218%0.18231%0.307CS..Hα-helixtrans-65.1-45.8177.8-73.7174.1101.600111.2I191 N192 K195 D196 L197 K203 I204I191-Q200 HydrophobicContact CB-CB 4.08Å; I191-Q200 HydrophobicContact CD1-CB 4.48Å; I191-Q200 HydrophobicContact CG2-CB 3.97Å; N192-Q200 PolarHBondContact O-NE2 3.08Å; K195-Q200 PolarHBondContact O-NE2 3.02Å; D196-Q200 WeakPolarHBondContact O-CG 3.14Å; D196-Q200 PolarHBondContact O-N 3.46Å; D196-Q200 PolarHBondContact O-NE2 2.82Å; L197-Q200 PolarHBondContact O-N 3.39Å; L197-Q200 VanDerWaalsContact O-N 3.13Å; Q200-K203 WeakPolarHBondContact O-CB 3.31Å; Q200-K203 PolarHBondContact O-N 3.37Å; Q200-I204 WeakPolarHBondContact O-CG1 3.22Å; Q200-I204 PolarHBondContact O-N 2.93Å
201L98.5Very high97Very high0 Ų060 Ų600%030%0.296CS..Hα-helixtrans-60-48176.5-72165.8000111.7L146 I170 I191 L197 T198 K203 I204 G205 Y206 L209 L228L146-L201 HydrophobicContact CD2-CD1 4.09Å; I170-L201 HydrophobicContact CG2-CD2 4.02Å; I191-L201 HydrophobicContact CD1-CD2 3.84Å; I191-L201 HydrophobicContact CD1-CG 3.84Å; L197-L201 WeakPolarHBondContact O-CB 3.48Å; L197-L201 VanDerWaalsContact O-CG 3.32Å; L197-L201 WeakPolarHBondContact O-CG 3.27Å; L197-L201 PolarHBondContact O-N 3.46Å; T198-L201 PolarHBondContact O-N 2.7Å; L201-K203 PolarHBondContact O-N 3.16Å; L201-I204 HydrophobicContact CD2-CD1 4.44Å; L201-I204 CarbonylContact O-C 3.47Å; L201-I204 WeakPolarHBondContact O-CG1 3.28Å; L201-I204 PolarHBondContact O-N 3.01Å; L201-G205 PolarHBondContact O-N 3.13Å; L201-G205 VanDerWaalsContact O-N 3.15Å; L201-Y206 CarbonylContact C-O 3.56Å; L201-Y206 WeakPolarHBondContact CB-O 3.47Å; L201-Y206 PolarHBondContact O-N 2.76Å; L201-L209 HydrophobicContact CD1-CD1 4.28Å; L201-L209 HydrophobicContact CD2-CD1 4.15Å; L201-L228 HydrophobicContact CD1-CD1 3.52Å; L201-L228 HydrophobicContact CD1-CD2 3.97Å; L201-L228 HydrophobicContact CD1-CG 4.34Å
202K97.6Very high97Very high103 Ų10359.5 Ų59.545%0.44829%0.293SS..Hα-helixtrans-58.2-38.6176.3-73.3173.2-178.2175.20112T198 I204 G205 Y206T198-K202 HydrophobicContact CG2-CD 4.17Å; T198-K202 WeakPolarHBondContact O-CB 3.42Å; T198-K202 VanDerWaalsContact O-CG 3.32Å; T198-K202 WeakPolarHBondContact O-CG 3.35Å; T198-K202 PolarHBondContact O-N 3.44Å; K202-I204 VanDerWaalsContact C-N 3.27Å; K202-I204 PolarHBondContact O-N 3.4Å; K202-G205 PolarHBondContact O-N 3.12Å; K202-G205 VanDerWaalsContact O-N 3.13Å; K202-Y206 WeakPolarHBondContact CA-O 3.33Å; K202-Y206 PolarHBondContact N-O 2.98Å; K202-Y206 VanDerWaalsContact N-O 3.15Å
203K98Very high97.1Very high189 Ų18958.2 Ų58.282%0.82229%0.286SS*.Hα-helixtrans-63.9-31177.8-176.3177.3177.9-179.50113K199 Q200 L201K199-K203 WeakPolarHBondContact O-CB 3.07Å; K199-K203 PolarHBondContact O-N 2.71Å; K199-K203 VanDerWaalsContact O-N 3.07Å; Q200-K203 WeakPolarHBondContact O-CB 3.31Å; Q200-K203 PolarHBondContact O-N 3.37Å; L201-K203 PolarHBondContact O-N 3.16Å
204I97.6Very high97.3Very high61 Ų6156.6 Ų56.631%0.31328%0.279SS..THydrogen-bonded Turntrans-96.513.4176.559.4160.2000112.7I170 H189 I191 Q200 L201 K202 Y206I170-I204 HydrophobicContact CG1-CD1 4.35Å; I170-I204 HydrophobicContact CG2-CD1 4.4Å; H189-I204 HydrophobicContact CB-CD1 3.74Å; I191-I204 HydrophobicContact CG2-CD1 4.26Å; Q200-I204 WeakPolarHBondContact O-CG1 3.22Å; Q200-I204 PolarHBondContact O-N 2.93Å; L201-I204 HydrophobicContact CD2-CD1 4.44Å; L201-I204 CarbonylContact O-C 3.47Å; L201-I204 WeakPolarHBondContact O-CG1 3.28Å; L201-I204 PolarHBondContact O-N 3.01Å; K202-I204 VanDerWaalsContact C-N 3.27Å; K202-I204 PolarHBondContact O-N 3.4Å; I204-Y206 HydrophobicContact CD1-CD2 3.81Å; I204-Y206 HydrophobicContact CD1-CE2 4.17Å; I204-Y206 HydrophobicContact CG1-CD2 3.88Å; I204-Y206 HydrophobicContact CG1-CE2 4.48Å
205G97.5Very high97.5Very high53 Ų5351.3 Ų51.355%0.54626%0.255SS..THydrogen-bonded Turntrans92.83.4172.400000116L201 K202L201-G205 PolarHBondContact O-N 3.13Å; L201-G205 VanDerWaalsContact O-N 3.15Å; K202-G205 PolarHBondContact O-N 3.12Å; K202-G205 VanDerWaalsContact O-N 3.13Å
206Y97.7Very high97.4Very high51 Ų5148.1 Ų48.120%0.224%0.242CC..  trans-101.3105.9179-64-80000110.9A144 T168 I170 H189 L201 K202 I204 L209A144-Y206 HydrophobicContact CB-CD1 4.07Å; A144-Y206 HydrophobicContact CB-CE1 3.48Å; A144-Y206 VanDerWaalsContact CB-CE1 3.48Å; T168-Y206 VanDerWaalsContact CG2-OH 3.27Å; T168-Y206 WeakPolarHBondContact CG2-OH 3.46Å; I170-Y206 HydrophobicContact CD1-CD2 4.32Å; I170-Y206 HydrophobicContact CD1-CE1 4.38Å; I170-Y206 HydrophobicContact CD1-CE2 4.12Å; I170-Y206 HydrophobicContact CG1-CD2 4.43Å; I170-Y206 HydrophobicContact CG1-CE2 4.29Å; H189-Y206 AromaticContact CD2-CE2 3.66Å; H189-Y206 AromaticContact NE2-CE2 3.83Å; L201-Y206 CarbonylContact C-O 3.56Å; L201-Y206 WeakPolarHBondContact CB-O 3.47Å; L201-Y206 PolarHBondContact O-N 2.76Å; K202-Y206 WeakPolarHBondContact CA-O 3.33Å; K202-Y206 PolarHBondContact N-O 2.98Å; K202-Y206 VanDerWaalsContact N-O 3.15Å; I204-Y206 HydrophobicContact CD1-CD2 3.81Å; I204-Y206 HydrophobicContact CD1-CE2 4.17Å; I204-Y206 HydrophobicContact CG1-CD2 3.88Å; I204-Y206 HydrophobicContact CG1-CE2 4.48Å; Y206-L209 HydrophobicContact CD1-CD2 3.61Å; Y206-L209 HydrophobicContact CE1-CD2 4.32Å; Y206-L209 HydrophobicContact CG-CD2 4.07Å
207H96.8Very high97.4Very high132 Ų13246.9 Ų46.961%0.61124%0.238SC*.SBendtrans-88.7-25.1176.9-69.7-98.8000112.8
208S97.2Very high97.4Very high41 Ų4146.8 Ų46.829%0.28724%0.238SC..  trans-153.316417755.80000108.9L228 E230S208-L228 CarbonylContact C-O 3.53Å; S208-L228 WeakPolarHBondContact CA-O 3.13Å; S208-L228 WeakPolarHBondContact CB-O 3.31Å; S208-E230 VanDerWaalsContact C-OE1 3.31Å; S208-E230 WeakPolarHBondContact OG-CG 3.28Å; S208-E230 PolarHBondContact OG-OE1 2.81Å
209L98Very high97.4Very high1 Ų147.1 Ų47.11%0.00524%0.238CC..EExtended strand (participates in β ladder)trans-137.9140.7178.1-68.8167.5000112.2A144 L146 I170 L201 Y206 I212 L228 E230A144-L209 HydrophobicContact CB-CD2 3.62Å; L146-L209 HydrophobicContact CB-CD1 3.41Å; L146-L209 VanDerWaalsContact CB-CD1 3.41Å; L146-L209 HydrophobicContact CD2-CD1 4.32Å; L146-L209 HydrophobicContact CG-CD1 4.47Å; I170-L209 HydrophobicContact CD1-CD2 4.16Å; L201-L209 HydrophobicContact CD1-CD1 4.28Å; L201-L209 HydrophobicContact CD2-CD1 4.15Å; Y206-L209 HydrophobicContact CD1-CD2 3.61Å; Y206-L209 HydrophobicContact CE1-CD2 4.32Å; Y206-L209 HydrophobicContact CG-CD2 4.07Å; L209-I212 HydrophobicContact CB-CD1 4.37Å; L209-I212 HydrophobicContact CB-CG1 4.01Å; L209-I212 HydrophobicContact CD1-CG1 4.37Å; L209-L228 PolarHBondContact N-O 3.19Å; L209-E230 PolarHBondContact O-N 2.8Å
210P96.9Very high97.3Very high23 Ų2345.9 Ų45.915%0.14923%0.23CC..EExtended strand (participates in β ladder)trans-74.4-27.5177.429.4-34.1000112.4A144 E230 G233 H234A144-P210 WeakPolarHBondContact O-CD 3.47Å; A144-P210 WeakPolarHBondContact O-CG 3.09Å; P210-E230 WeakPolarHBondContact CD-OE2 3.25Å; P210-G233 CarbonylContact O-C 3.54Å; P210-G233 WeakPolarHBondContact O-CA 3.12Å; P210-H234 PolarHBondContact O-N 3.33Å
211Y98.5Very high97.2Very high5 Ų544.3 Ų44.32%0.0222%0.222CC..EExtended strand (participates in β ladder)trans-130126.6-178.3-58-69.5000110.4M136 L138 Q140 I145 L146 L167 H234M136-Y211 HydrophobicContact CB-CD1 4.42Å; M136-Y211 HydrophobicContact CE-CD1 3.68Å; M136-Y211 HydrophobicContact CE-CG 4.18Å; M136-Y211 WeakPolarHBondContact O-CE1 3.21Å; L138-Y211 HydrophobicContact CG-CE2 4.47Å; Q140-Y211 PolarHBondContact NE2-OH 2.98Å; I145-Y211 WeakPolarHBondContact CA-O 3.32Å; L146-Y211 PolarHBondContact N-O 3.45Å; L167-Y211 HydrophobicContact CD2-CD2 3.72Å; L167-Y211 HydrophobicContact CD2-CE2 4.16Å; Y211-H234 HydrophobicContact CD1-CB 4.11Å; Y211-H234 HydrophobicContact CE1-CB 4.47Å; Y211-H234 AromaticContact CE1-CD2 3.63Å
212I98.7Very high97.2Very high0 Ų044.6 Ų44.60%022%0.224CC..EExtended strand (participates in β ladder)trans-133.6128.1173.5-57.3175.2000108.6L146 L209 M225 L228 L229 H234 L235 G236L146-I212 HydrophobicContact CB-CG1 4.45Å; L146-I212 HydrophobicContact CB-CG2 4.43Å; L146-I212 HydrophobicContact CD2-CG2 4.24Å; L146-I212 WeakPolarHBondContact O-CA 3.32Å; L209-I212 HydrophobicContact CB-CD1 4.37Å; L209-I212 HydrophobicContact CB-CG1 4.01Å; L209-I212 HydrophobicContact CD1-CG1 4.37Å; I212-M225 HydrophobicContact CD1-CB 4.24Å; I212-M225 WeakPolarHBondContact CD1-O 3.35Å; I212-M225 HydrophobicContact CD1-SD 4.3Å; I212-M225 HydrophobicContact CG2-CB 3.95Å; I212-M225 HydrophobicContact CG2-CG 3.75Å; I212-M225 HydrophobicContact CG2-SD 3.65Å; I212-L228 HydrophobicContact CD1-CB 3.96Å; I212-L229 HydrophobicContact CD1-CB 4.43Å; I212-L229 HydrophobicContact CD1-CD1 4.07Å; I212-L229 HydrophobicContact CG1-CD1 4.19Å; I212-H234 PolarHBondContact N-O 3.45Å; I212-L235 HydrophobicContact CB-CD1 3.75Å; I212-L235 HydrophobicContact CG2-CD1 3.67Å; I212-L235 CarbonylContact O-C 3.53Å; I212-L235 WeakPolarHBondContact O-CA 3.23Å; I212-G236 PolarHBondContact O-N 2.97Å
213L98.8Very high97.1Very high0 Ų043.6 Ų43.60%022%0.22CC..EExtended strand (participates in β ladder)trans-120.8116.3-177.8179.453.5000110.9M131 L132 I145 L146 I148 A158 L215M131-L213 HydrophobicContact CE-CD1 3.81Å; M131-L213 HydrophobicContact CG-CD1 3.57Å; M131-L213 HydrophobicContact CG-CD2 4.34Å; M131-L213 HydrophobicContact SD-CD1 4.19Å; L132-L213 HydrophobicContact CD2-CD2 4.4Å; I145-L213 HydrophobicContact CD1-CB 4.41Å; L146-L213 PolarHBondContact O-N 2.84Å; I148-L213 PolarHBondContact N-O 2.9Å; A158-L213 HydrophobicContact CB-CD2 3.85Å; L213-L215 HydrophobicContact CD1-CD2 3.67Å; L213-L215 HydrophobicContact CD1-CG 4.41Å; L213-L215 HydrophobicContact CD2-CD1 4.25Å; L213-L215 HydrophobicContact CD2-CD2 3.9Å; L213-L215 HydrophobicContact CD2-CG 4.26Å; L213-L215 HydrophobicContact CG-CD1 4.35Å; L213-L215 HydrophobicContact CG-CD2 3.59Å; L213-L215 HydrophobicContact CG-CG 3.86Å
214I98.6Very high97Very high0 Ų036.8 Ų36.80%019%0.191CC..EExtended strand (participates in β ladder)trans-95.1109.8177.6-56.7171000110I148 H216 Y221 M225 L235 G236 S237 I238I148-I214 HydrophobicContact CD1-CG1 4.24Å; I214-H216 WeakPolarHBondContact CG2-O 3.36Å; I214-Y221 HydrophobicContact CG2-CD2 4.28Å; I214-M225 HydrophobicContact CD1-CB 4.39Å; I214-M225 HydrophobicContact CD1-CG 4.18Å; I214-M225 HydrophobicContact CG1-CG 4.32Å; I214-L235 HydrophobicContact CD1-CD1 3.85Å; I214-L235 HydrophobicContact CG1-CD1 4.13Å; I214-G236 PolarHBondContact N-O 2.8Å; I214-S237 WeakPolarHBondContact O-CA 3.44Å; I214-S237 PolarHBondContact O-OG 2.99Å; I214-I238 PolarHBondContact O-N 2.83Å
215L97.8Very high97Very high11 Ų1133.9 Ų33.96%0.05818%0.176CC..  trans-110.311176.7-47.7173.7000113.2I147 I148 N149 V154 G155 L213 I238I147-L215 HydrophobicContact CG2-CD1 3.64Å; I147-L215 HydrophobicContact CG2-CG 4.43Å; I148-L215 VanDerWaalsContact O-CB 3.25Å; I148-L215 WeakPolarHBondContact O-CB 3.35Å; I148-L215 PolarHBondContact O-N 2.81Å; N149-L215 HydrophobicContact CB-CB 4.22Å; N149-L215 PolarHBondContact ND2-O 3.32Å; V154-L215 HydrophobicContact CB-CD1 4.09Å; V154-L215 HydrophobicContact CB-CD2 4.33Å; V154-L215 HydrophobicContact CG1-CD1 3.98Å; V154-L215 HydrophobicContact CG1-CD2 3.77Å; G155-L215 VanDerWaalsContact N-CD1 3.27Å; L213-L215 HydrophobicContact CD1-CD2 3.67Å; L213-L215 HydrophobicContact CD1-CG 4.41Å; L213-L215 HydrophobicContact CD2-CD1 4.25Å; L213-L215 HydrophobicContact CD2-CD2 3.9Å; L213-L215 HydrophobicContact CD2-CG 4.26Å; L213-L215 HydrophobicContact CG-CD1 4.35Å; L213-L215 HydrophobicContact CG-CD2 3.59Å; L213-L215 HydrophobicContact CG-CG 3.86Å; L215-I238 HydrophobicContact CB-CD1 4.39Å; L215-I238 HydrophobicContact CB-CG1 4.48Å; L215-I238 HydrophobicContact CD2-CD1 3.68Å; L215-I238 HydrophobicContact CD2-CG1 3.68Å; L215-I238 HydrophobicContact CD2-CG2 4.09Å
216H94.3Very high97Very high69 Ų6931.4 Ų31.432%0.31915%0.151SC..SBendtrans-155.5127.5173.8177.5-84.2000110N149 I214 Y221N149-H216 HydrophobicContact CB-CB 3.72Å; I214-H216 WeakPolarHBondContact CG2-O 3.36Å; H216-Y221 WeakPolarHBondContact O-CD2 3.25Å; H216-Y221 WeakPolarHBondContact O-CE2 3.16Å
217S93.3Very high97Very high37 Ų3734.8 Ų34.826%0.25917%0.169SC..  trans50.575.8172.8-166.70000115.5D219 R220 Y221S217-D219 PolarHBondContact O-N 3.27Å; S217-R220 WeakPolarHBondContact O-CB 3.38Å; S217-R220 PolarHBondContact O-N 2.72Å; S217-R220 VanDerWaalsContact OG-CB 3.31Å; S217-R220 WeakPolarHBondContact OG-CB 3.33Å; S217-Y221 VanDerWaalsContact O-CD2 3.28Å; S217-Y221 WeakPolarHBondContact O-CD2 3.41Å; S217-Y221 PolarHBondContact O-N 2.85Å
218T97.1Very high97Very high0 Ų028.7 Ų28.70%014%0.141CC..Hα-helixtrans-52.5-41.1172.6-54.70000112.1R220 Y221 F222 S237 V239 L245 F257 W259T218-R220 PolarHBondContact O-N 3.31Å; T218-R220 VanDerWaalsContact O-N 3.13Å; T218-Y221 PolarHBondContact O-N 3.19Å; T218-F222 HydrophobicContact CG2-CB 4.27Å; T218-F222 WeakPolarHBondContact O-CB 3.34Å; T218-F222 PolarHBondContact O-N 2.66Å; T218-S237 PolarHBondContact OG1-OG 3.16Å; T218-V239 WeakPolarHBondContact CB-O 3.44Å; T218-V239 PolarHBondContact OG1-O 2.85Å; T218-L245 HydrophobicContact CG2-CD1 3.75Å; T218-L245 HydrophobicContact CG2-CD2 4.09Å; T218-F257 HydrophobicContact CG2-CE2 4.5Å; T218-F257 HydrophobicContact CG2-CZ 4.24Å; T218-W259 HydrophobicContact CG2-CH2 4.07Å
219D96.3Very high97.1Very high29 Ų2926.8 Ų26.816%0.15513%0.127CC..Hα-helixtrans-55.5-33.5178.5-64.8-28.1000113.9S217 S241 S242 K243S217-D219 PolarHBondContact O-N 3.27Å; D219-S241 VanDerWaalsContact OD1-CA 3.23Å; D219-S241 WeakPolarHBondContact OD1-CA 3.26Å; D219-S241 WeakPolarHBondContact OD1-CB 3.34Å; D219-S242 PolarHBondContact OD1-N 2.8Å; D219-S242 VanDerWaalsContact OD1-N 3.12Å; D219-S242 WeakPolarHBondContact OD2-CB 3.5Å; D219-S242 PolarHBondContact OD2-N 2.75Å; D219-S242 PolarHBondContact OD2-OG 3.4Å; D219-K243 HydrophobicContact CB-CD 4.41Å; D219-K243 HydrophobicContact CB-CG 4.34Å; D219-K243 WeakPolarHBondContact O-CE 3.28Å; D219-K243 PolarHBondContact O-NZ 2.54Å; D219-K243 WeakPolarHBondContact OD1-CG 3.19Å
220R95.5Very high97Very high120 Ų12029.7 Ų29.745%0.45314%0.14SC..Hα-helixtrans-80.6-43-179176.1176.5176.2-180-3.3111.9H193 S217 T218H193-R220 PolarHBondContact O-NH2 3.32Å; S217-R220 WeakPolarHBondContact O-CB 3.38Å; S217-R220 PolarHBondContact O-N 2.72Å; S217-R220 VanDerWaalsContact OG-CB 3.31Å; S217-R220 WeakPolarHBondContact OG-CB 3.33Å; T218-R220 PolarHBondContact O-N 3.31Å; T218-R220 VanDerWaalsContact O-N 3.13Å
221Y96.9Very high97.1Very high5 Ų532.7 Ų32.72%0.0216%0.16CC..Hα-helixtrans-100.4-20.3-167.2-62.5-69.6000114.2I148 H193 L197 I214 H216 S217 T218 E223 E224 M225I148-Y221 HydrophobicContact CD1-CD1 3.76Å; I148-Y221 HydrophobicContact CD1-CD2 4.08Å; I148-Y221 HydrophobicContact CD1-CE1 4.34Å; I148-Y221 HydrophobicContact CD1-CG 3.61Å; I148-Y221 HydrophobicContact CG2-CD2 3.85Å; I148-Y221 HydrophobicContact CG2-CE1 4.47Å; I148-Y221 HydrophobicContact CG2-CE2 3.56Å; I148-Y221 HydrophobicContact CG2-CG 4.41Å; H193-Y221 WeakPolarHBondContact CB-OH 3.45Å; L197-Y221 HydrophobicContact CD1-CD1 3.89Å; L197-Y221 HydrophobicContact CD1-CE1 3.81Å; I214-Y221 HydrophobicContact CG2-CD2 4.28Å; H216-Y221 WeakPolarHBondContact O-CD2 3.25Å; H216-Y221 WeakPolarHBondContact O-CE2 3.16Å; S217-Y221 VanDerWaalsContact O-CD2 3.28Å; S217-Y221 WeakPolarHBondContact O-CD2 3.41Å; S217-Y221 PolarHBondContact O-N 2.85Å; T218-Y221 PolarHBondContact O-N 3.19Å; Y221-E223 PolarHBondContact O-N 2.77Å; Y221-E223 VanDerWaalsContact O-N 3.14Å; Y221-E224 PolarHBondContact O-N 3.36Å; Y221-M225 VanDerWaalsContact O-CB 3.31Å; Y221-M225 WeakPolarHBondContact O-CB 3.33Å; Y221-M225 WeakPolarHBondContact O-CG 2.84Å; Y221-M225 PolarHBondContact O-N 3.46Å
222F97.6Very high96.9Very high7 Ų739.8 Ų39.83%0.03119%0.191CC..Hα-helixtrans-51.6-44.7-173.8176.1-94.1000112.8T218 S226 L235 L245 N246 L247 L250 F257T218-F222 HydrophobicContact CG2-CB 4.27Å; T218-F222 WeakPolarHBondContact O-CB 3.34Å; T218-F222 PolarHBondContact O-N 2.66Å; F222-S226 VanDerWaalsContact O-CB 3.26Å; F222-S226 WeakPolarHBondContact O-CB 3.3Å; F222-S226 PolarHBondContact O-N 3.22Å; F222-S226 PolarHBondContact O-OG 3.08Å; F222-L235 HydrophobicContact CD2-CD2 3.93Å; F222-L235 HydrophobicContact CE2-CD2 4.04Å; F222-L245 HydrophobicContact CB-CD2 4Å; F222-L245 HydrophobicContact CD1-CB 4.26Å; F222-L245 HydrophobicContact CD1-CD2 4.21Å; F222-L245 HydrophobicContact CD2-CB 4.33Å; F222-L245 HydrophobicContact CD2-CD1 3.99Å; F222-L245 HydrophobicContact CD2-CD2 4.28Å; F222-L245 HydrophobicContact CD2-CG 4.43Å; F222-L245 HydrophobicContact CE1-CB 4.13Å; F222-L245 HydrophobicContact CE2-CB 4.19Å; F222-L245 HydrophobicContact CE2-CD1 4.28Å; F222-L245 HydrophobicContact CG-CB 4.38Å; F222-L245 HydrophobicContact CG-CD1 4.43Å; F222-L245 HydrophobicContact CG-CD2 3.88Å; F222-L245 HydrophobicContact CG-CG 4.46Å; F222-L245 HydrophobicContact CZ-CB 4.1Å; F222-N246 WeakPolarHBondContact CE1-O 3.31Å; F222-L247 HydrophobicContact CE2-CD2 4.03Å; F222-L247 HydrophobicContact CZ-CD2 3.91Å; F222-L250 HydrophobicContact CE2-CD1 4.34Å; F222-L250 HydrophobicContact CZ-CD1 4.41Å; F222-F257 HydrophobicContact CD2-CD2 4.17Å; F222-F257 AromaticContact CD2-CE2 3.97Å; F222-F257 HydrophobicContact CD2-CE2 3.97Å; F222-F257 AromaticContact CE2-CD2 3.86Å; F222-F257 HydrophobicContact CE2-CD2 3.86Å; F222-F257 HydrophobicContact CE2-CE2 4.1Å; F222-F257 HydrophobicContact CE2-CG 4.38Å
223E96.3Very high96.9Very high82 Ų8239.9 Ų39.938%0.38319%0.192SC..Hα-helixtrans-61.4-57.9-178.8-176.966.4-171.200112.1Y221 M225 S226 E227 K249Y221-E223 PolarHBondContact O-N 2.77Å; Y221-E223 VanDerWaalsContact O-N 3.14Å; E223-M225 VanDerWaalsContact C-N 3.31Å; E223-M225 PolarHBondContact O-N 3.27Å; E223-S226 PolarHBondContact O-N 3.31Å; E223-E227 PolarHBondContact O-N 2.71Å; E223-K249 WeakPolarHBondContact OE1-CE 3.43Å; E223-K249 IonicContact OE1-NZ 3.58Å; E223-K249 PolarHBondContact OE1-NZ 2.72Å; E223-K249 WeakPolarHBondContact OE2-CD 3.28Å; E223-K249 WeakPolarHBondContact OE2-CE 3.4Å; E223-K249 IonicContact OE2-NZ 3.82Å
224E96.2Very high96.8Very high45 Ų4542 Ų4221%0.2120%0.202CC..Hα-helixtrans-63-39.6-178.9-170.5-176.6-172.300111.2L197 T198 Y221 E227 L228L197-E224 WeakPolarHBondContact CB-OE1 3.08Å; L197-E224 PolarHBondContact N-OE1 2.8Å; T198-E224 PolarHBondContact N-OE1 3.49Å; T198-E224 WeakPolarHBondContact OG1-CG 3.49Å; T198-E224 PolarHBondContact OG1-OE1 2.88Å; Y221-E224 PolarHBondContact O-N 3.36Å; E224-E227 PolarHBondContact O-N 3.25Å; E224-L228 HydrophobicContact CG-CD1 4.26Å; E224-L228 PolarHBondContact O-N 2.68Å; E224-L228 VanDerWaalsContact O-N 3.09Å
225M97.6Very high96.8Very high0 Ų042 Ų420%020%0.202CC..Hα-helixtrans-70.9-33.8-179.6-64.5-5010400112.1L146 I148 L197 I212 I214 Y221 E223 E227 L228 L229 L235L146-M225 HydrophobicContact CD2-CE 4.43Å; L146-M225 HydrophobicContact CD2-SD 3.52Å; L146-M225 VanDerWaalsContact CD2-SD 3.52Å; I148-M225 HydrophobicContact CD1-CE 4.3Å; I148-M225 HydrophobicContact CD1-CG 3.88Å; I148-M225 HydrophobicContact CD1-SD 3.72Å; L197-M225 HydrophobicContact CB-CE 4.22Å; L197-M225 HydrophobicContact CD1-CE 3.72Å; I212-M225 HydrophobicContact CD1-CB 4.24Å; I212-M225 WeakPolarHBondContact CD1-O 3.35Å; I212-M225 HydrophobicContact CD1-SD 4.3Å; I212-M225 HydrophobicContact CG2-CB 3.95Å; I212-M225 HydrophobicContact CG2-CG 3.75Å; I212-M225 HydrophobicContact CG2-SD 3.65Å; I214-M225 HydrophobicContact CD1-CB 4.39Å; I214-M225 HydrophobicContact CD1-CG 4.18Å; I214-M225 HydrophobicContact CG1-CG 4.32Å; Y221-M225 VanDerWaalsContact O-CB 3.31Å; Y221-M225 WeakPolarHBondContact O-CB 3.33Å; Y221-M225 WeakPolarHBondContact O-CG 2.84Å; Y221-M225 PolarHBondContact O-N 3.46Å; E223-M225 VanDerWaalsContact C-N 3.31Å; E223-M225 PolarHBondContact O-N 3.27Å; M225-E227 PolarHBondContact O-N 2.97Å; M225-L228 HydrophobicContact CE-CD1 3.62Å; M225-L228 PolarHBondContact O-N 3.07Å; M225-L228 HydrophobicContact SD-CD1 4.13Å; M225-L229 PolarHBondContact O-N 2.95Å; M225-L235 HydrophobicContact CB-CD1 3.75Å; M225-L235 HydrophobicContact CB-CD2 4.26Å
226S98.1Very high96.9Very high1 Ų141.4 Ų41.41%0.00720%0.199CC..Hα-helixtrans-62-34.8172.9-63.60000111.7F222 E223 K253F222-S226 VanDerWaalsContact O-CB 3.26Å; F222-S226 WeakPolarHBondContact O-CB 3.3Å; F222-S226 PolarHBondContact O-N 3.22Å; F222-S226 PolarHBondContact O-OG 3.08Å; E223-S226 PolarHBondContact O-N 3.31Å; S226-K253 PolarHBondContact O-NZ 3Å
227E96.5Very high97.1Very high123 Ų12338.1 Ų38.158%0.57518%0.184SC*.Hα-helixtrans-74.1-33.1175.9-67.4-175.2173.900113.1E223 E224 M225 K253E223-E227 PolarHBondContact O-N 2.71Å; E224-E227 PolarHBondContact O-N 3.25Å; M225-E227 PolarHBondContact O-N 2.97Å; E227-K253 PolarHBondContact O-NZ 2.8Å
228L97.4Very high97.3Very high4 Ų438.8 Ų38.82%0.02118%0.184CC..Hα-helixtrans-80.3-18.3176.9-78.2165.8000114.4T198 L201 S208 L209 I212 E224 M225T198-L228 HydrophobicContact CG2-CD2 4.01Å; T198-L228 WeakPolarHBondContact OG1-CD1 3.36Å; L201-L228 HydrophobicContact CD1-CD1 3.52Å; L201-L228 HydrophobicContact CD1-CD2 3.97Å; L201-L228 HydrophobicContact CD1-CG 4.34Å; S208-L228 CarbonylContact C-O 3.53Å; S208-L228 WeakPolarHBondContact CA-O 3.13Å; S208-L228 WeakPolarHBondContact CB-O 3.31Å; L209-L228 PolarHBondContact N-O 3.19Å; I212-L228 HydrophobicContact CD1-CB 3.96Å; E224-L228 HydrophobicContact CG-CD1 4.26Å; E224-L228 PolarHBondContact O-N 2.68Å; E224-L228 VanDerWaalsContact O-N 3.09Å; M225-L228 HydrophobicContact CE-CD1 3.62Å; M225-L228 PolarHBondContact O-N 3.07Å; M225-L228 HydrophobicContact SD-CD1 4.13Å
229L98.3Very high97.1Very high1 Ų140.3 Ų40.31%0.00519%0.193CC..EExtended strand (participates in β ladder)trans-62.4139.4-178.3-16367.8000111.8I212 M225 L235 L250 K253I212-L229 HydrophobicContact CD1-CB 4.43Å; I212-L229 HydrophobicContact CD1-CD1 4.07Å; I212-L229 HydrophobicContact CG1-CD1 4.19Å; M225-L229 PolarHBondContact O-N 2.95Å; L229-L235 HydrophobicContact CD1-CB 4.33Å; L229-L235 HydrophobicContact CD2-CB 4.17Å; L229-L250 HydrophobicContact CD2-CD2 3.77Å; L229-K253 HydrophobicContact CB-CD 4.47Å; L229-K253 VanDerWaalsContact O-CD 3.27Å; L229-K253 WeakPolarHBondContact O-CD 3.23Å; L229-K253 VanDerWaalsContact O-CE 3.25Å; L229-K253 WeakPolarHBondContact O-CE 3.05Å; L229-K253 PolarHBondContact O-NZ 3.41Å
230E97Very high96.9Very high61 Ų6147 Ų4729%0.28522%0.223SC..EExtended strand (participates in β ladder)trans-70.9158.5170.5-78.9175.5-178.400112.1S208 L209 P210 F232 G233S208-E230 VanDerWaalsContact C-OE1 3.31Å; S208-E230 WeakPolarHBondContact OG-CG 3.28Å; S208-E230 PolarHBondContact OG-OE1 2.81Å; L209-E230 PolarHBondContact O-N 2.8Å; P210-E230 WeakPolarHBondContact CD-OE2 3.25Å; E230-F232 PolarHBondContact O-N 3.42Å; E230-G233 PolarHBondContact O-N 3.42Å
231P97.5Very high96.8Very high86 Ų8642.8 Ų42.856%0.55821%0.212SC*.EExtended strand (participates in β ladder)trans-51.6133.3161.7-23.835000110.7G233 K253P231-G233 PolarHBondContact O-N 3.01Å; P231-K253 CarbonylContact C-O 3.44Å; P231-K253 VanDerWaalsContact CA-O 3.23Å; P231-K253 WeakPolarHBondContact CA-O 3.39Å
232F96.1Very high96.6Very high154 Ų15447.8 Ų47.868%0.67525%0.248SC*.EExtended strand (participates in β ladder)trans62.113.8-174.7-46.3-79.8000114.8E230 K253E230-F232 PolarHBondContact O-N 3.42Å; F232-K253 PolarHBondContact N-O 3.18Å
233G97.2Very high96.4Very high2 Ų253.1 Ų53.12%0.02127%0.271CS..EExtended strand (participates in β ladder)trans-73.4164.9175.500000113.1P210 E230 P231 G255 S256P210-G233 CarbonylContact O-C 3.54Å; P210-G233 WeakPolarHBondContact O-CA 3.12Å; E230-G233 PolarHBondContact O-N 3.42Å; P231-G233 PolarHBondContact O-N 3.01Å; G233-G255 VanDerWaalsContact O-CA 3.3Å; G233-G255 WeakPolarHBondContact O-CA 3.21Å; G233-S256 PolarHBondContact O-N 3.11Å
234H98.2Very high96.4Very high44 Ų4457 Ų5720%0.20430%0.295CS..EExtended strand (participates in β ladder)trans-113.2124.8178.9-59.1-94.7000111.3M136 P210 Y211 I212 S256 D258M136-H234 HydrophobicContact CB-CB 3.87Å; M136-H234 HydrophobicContact CE-CB 3.84Å; M136-H234 WeakPolarHBondContact CE-O 3.37Å; M136-H234 HydrophobicContact CG-CB 3.9Å; M136-H234 PolarHBondContact O-CD2 2.8Å; M136-H234 PolarHBondContact O-NE2 2.85Å; P210-H234 PolarHBondContact O-N 3.33Å; Y211-H234 HydrophobicContact CD1-CB 4.11Å; Y211-H234 HydrophobicContact CE1-CB 4.47Å; Y211-H234 AromaticContact CE1-CD2 3.63Å; I212-H234 PolarHBondContact N-O 3.45Å; H234-S256 WeakPolarHBondContact CA-OG 3.36Å; H234-S256 PolarHBondContact ND1-OG 3.42Å; H234-D258 IonicContact ND1-OD2 2.71Å
235L98.4Very high96.4Very high0 Ų056.5 Ų56.50%029%0.293CS..EExtended strand (participates in β ladder)trans-107.3101173178.958.9000110I212 I214 F222 M225 L229 L250 S256 F257 D258I212-L235 HydrophobicContact CB-CD1 3.75Å; I212-L235 HydrophobicContact CG2-CD1 3.67Å; I212-L235 CarbonylContact O-C 3.53Å; I212-L235 WeakPolarHBondContact O-CA 3.23Å; I214-L235 HydrophobicContact CD1-CD1 3.85Å; I214-L235 HydrophobicContact CG1-CD1 4.13Å; F222-L235 HydrophobicContact CD2-CD2 3.93Å; F222-L235 HydrophobicContact CE2-CD2 4.04Å; M225-L235 HydrophobicContact CB-CD1 3.75Å; M225-L235 HydrophobicContact CB-CD2 4.26Å; L229-L235 HydrophobicContact CD1-CB 4.33Å; L229-L235 HydrophobicContact CD2-CB 4.17Å; L235-L250 HydrophobicContact CD2-CD2 4.46Å; L235-S256 PolarHBondContact N-O 2.89Å; L235-F257 HydrophobicContact CB-CD2 4.23Å; L235-F257 HydrophobicContact CD2-CD2 4.03Å; L235-F257 HydrophobicContact CD2-CE2 4.44Å; L235-F257 HydrophobicContact CG-CD2 3.86Å; L235-F257 HydrophobicContact CG-CE2 4.23Å; L235-F257 WeakPolarHBondContact O-CA 3.33Å; L235-F257 VanDerWaalsContact O-CD2 3.23Å; L235-F257 WeakPolarHBondContact O-CD2 3.33Å; L235-D258 PolarHBondContact O-N 3.17Å
236G98.5Very high96.4Very high0 Ų060.7 Ų60.70%032%0.316CS..EExtended strand (participates in β ladder)trans-91.8146.3179.300000113.3I212 I214 D258I212-G236 PolarHBondContact O-N 2.97Å; I214-G236 PolarHBondContact N-O 2.8Å; G236-D258 CarbonylContact C-O 3.07Å; G236-D258 WeakPolarHBondContact CA-O 3.44Å
237S98.7Very high96.4Very high0 Ų065.2 Ų65.20%034%0.339CS..EExtended strand (participates in β ladder)trans-143.1149165.9-173.20000113.8M131 I214 T218 V239 D258 W259 E260M131-S237 VanDerWaalsContact CE-C 3.45Å; M131-S237 VanDerWaalsContact CE-N 3.25Å; M131-S237 WeakPolarHBondContact CE-O 3.31Å; I214-S237 WeakPolarHBondContact O-CA 3.44Å; I214-S237 PolarHBondContact O-OG 2.99Å; T218-S237 PolarHBondContact OG1-OG 3.16Å; S237-V239 PolarHBondContact OG-N 2.74Å; S237-V239 VanDerWaalsContact OG-N 3.14Å; S237-D258 PolarHBondContact N-O 3.15Å; S237-W259 WeakPolarHBondContact O-CA 3.43Å; S237-E260 PolarHBondContact O-N 3.32Å
238I97.6Very high96.4Very high51 Ų5162.6 Ų62.626%0.26234%0.338SS..  trans-111.6-1.217168.6165.9000112.8T127 M131 V154 I214 L215 E260T127-I238 HydrophobicContact CG2-CB 4.44Å; T127-I238 HydrophobicContact CG2-CD1 4.35Å; T127-I238 HydrophobicContact CG2-CG2 3.7Å; M131-I238 HydrophobicContact CE-CG2 3.93Å; V154-I238 HydrophobicContact CB-CD1 4.08Å; V154-I238 HydrophobicContact CG1-CD1 4.16Å; V154-I238 HydrophobicContact CG2-CD1 3.79Å; I214-I238 PolarHBondContact O-N 2.83Å; L215-I238 HydrophobicContact CB-CD1 4.39Å; L215-I238 HydrophobicContact CB-CG1 4.48Å; L215-I238 HydrophobicContact CD2-CD1 3.68Å; L215-I238 HydrophobicContact CD2-CG1 3.68Å; L215-I238 HydrophobicContact CD2-CG2 4.09Å; I238-E260 HydrophobicContact CG2-CB 4.06Å
239V94.1Very high96.4Very high31 Ų3165.7 Ų65.719%0.18835%0.352CS..SBendtrans-110.5112.1-171.9-175.10000109.4T218 S237 S241 W259T218-V239 WeakPolarHBondContact CB-O 3.44Å; T218-V239 PolarHBondContact OG1-O 2.85Å; S237-V239 PolarHBondContact OG-N 2.74Å; S237-V239 VanDerWaalsContact OG-N 3.14Å; V239-S241 PolarHBondContact O-N 2.75Å; V239-W259 WeakPolarHBondContact O-CH2 3.32Å; V239-W259 WeakPolarHBondContact O-CZ3 3.41Å
240E91.7Very high96.5Very high170 Ų17066 Ų6679%0.79435%0.353SS*.  trans-49.1135175.1-174.8175.8-158.500111.9
241S93.6Very high96.5Very high31 Ų3170.5 Ų70.522%0.21737%0.372CS..  trans-84.4137.6174.851.50000110.7D219 V239 K243D219-S241 VanDerWaalsContact OD1-CA 3.23Å; D219-S241 WeakPolarHBondContact OD1-CA 3.26Å; D219-S241 WeakPolarHBondContact OD1-CB 3.34Å; V239-S241 PolarHBondContact O-N 2.75Å; S241-K243 WeakPolarHBondContact CB-O 3.39Å; S241-K243 PolarHBondContact OG-O 3.48Å
242S92.9Very high96.5Very high111 Ų11173.7 Ų73.778%0.77638%0.384SS*.SBendtrans-86.3-9.5174.266.60000113.6D219D219-S242 PolarHBondContact OD1-N 2.8Å; D219-S242 VanDerWaalsContact OD1-N 3.12Å; D219-S242 WeakPolarHBondContact OD2-CB 3.5Å; D219-S242 PolarHBondContact OD2-N 2.75Å; D219-S242 PolarHBondContact OD2-OG 3.4Å
243K93.3Very high96.6Very high119 Ų11968.6 Ų68.652%0.51736%0.362SS..SBendtrans-130.1163.4176.763.2178.3-177.3-170.90111D219 S241 L245D219-K243 HydrophobicContact CB-CD 4.41Å; D219-K243 HydrophobicContact CB-CG 4.34Å; D219-K243 WeakPolarHBondContact O-CE 3.28Å; D219-K243 PolarHBondContact O-NZ 2.54Å; D219-K243 WeakPolarHBondContact OD1-CG 3.19Å; S241-K243 WeakPolarHBondContact CB-O 3.39Å; S241-K243 PolarHBondContact OG-O 3.48Å; K243-L245 PolarHBondContact O-N 2.98Å
244D96Very high96.7Very high164 Ų16472.2 Ų72.288%0.87739%0.387SS*.  trans-61.6135.8174.1-64.7-23.3000111.4
245L96.1Very high96.7Very high33 Ų3370.9 Ų70.917%0.17339%0.385CS..  trans-93.3127.2175.1-56.7-178.4000109.9T218 F222 K243 L247 F257 W259T218-L245 HydrophobicContact CG2-CD1 3.75Å; T218-L245 HydrophobicContact CG2-CD2 4.09Å; F222-L245 HydrophobicContact CB-CD2 4Å; F222-L245 HydrophobicContact CD1-CB 4.26Å; F222-L245 HydrophobicContact CD1-CD2 4.21Å; F222-L245 HydrophobicContact CD2-CB 4.33Å; F222-L245 HydrophobicContact CD2-CD1 3.99Å; F222-L245 HydrophobicContact CD2-CD2 4.28Å; F222-L245 HydrophobicContact CD2-CG 4.43Å; F222-L245 HydrophobicContact CE1-CB 4.13Å; F222-L245 HydrophobicContact CE2-CB 4.19Å; F222-L245 HydrophobicContact CE2-CD1 4.28Å; F222-L245 HydrophobicContact CG-CB 4.38Å; F222-L245 HydrophobicContact CG-CD1 4.43Å; F222-L245 HydrophobicContact CG-CD2 3.88Å; F222-L245 HydrophobicContact CG-CG 4.46Å; F222-L245 HydrophobicContact CZ-CB 4.1Å; K243-L245 PolarHBondContact O-N 2.98Å; L245-L247 VanDerWaalsContact C-N 3.3Å; L245-L247 HydrophobicContact CB-CD2 4.45Å; L245-L247 PolarHBondContact O-N 3.44Å; L245-F257 HydrophobicContact CD1-CE1 3.88Å; L245-F257 HydrophobicContact CD1-CE2 4.32Å; L245-F257 HydrophobicContact CD1-CZ 3.64Å; L245-W259 HydrophobicContact CD1-CH2 4.29Å; L245-W259 HydrophobicContact CD1-CZ2 3.96Å
246N97.1Very high96.7Very high89 Ų8972.5 Ų72.548%0.47640%0.397SS..  trans-78.577.2178-175.34.6000111.5F222 A248 K249F222-N246 WeakPolarHBondContact CE1-O 3.31Å; N246-A248 PolarHBondContact O-N 3.22Å; N246-A248 VanDerWaalsContact OD1-CB 3.3Å; N246-A248 WeakPolarHBondContact OD1-CB 3.46Å; N246-A248 PolarHBondContact OD1-N 3Å; N246-K249 HydrophobicContact CB-CD 4.5Å; N246-K249 WeakPolarHBondContact O-CB 3.32Å; N246-K249 PolarHBondContact O-N 3.06Å; N246-K249 VanDerWaalsContact O-N 3.16Å
247L97.5Very high96.6Very high96 Ų9674.4 Ų74.450%0.50341%0.405SS..THydrogen-bonded Turntrans-58.9-18.9-179.8-62.3-178.8000113.8F222 L245 K249 L250 F257F222-L247 HydrophobicContact CE2-CD2 4.03Å; F222-L247 HydrophobicContact CZ-CD2 3.91Å; L245-L247 VanDerWaalsContact C-N 3.3Å; L245-L247 HydrophobicContact CB-CD2 4.45Å; L245-L247 PolarHBondContact O-N 3.44Å; L247-K249 PolarHBondContact O-N 2.77Å; L247-L250 HydrophobicContact CD2-CD1 4.42Å; L247-L250 PolarHBondContact O-N 3.44Å; L247-F257 HydrophobicContact CD2-CB 3.98Å; L247-F257 HydrophobicContact CD2-CD1 4.11Å; L247-F257 HydrophobicContact CD2-CG 4.09Å
248A97.9Very high96.6Very high67 Ų6775.5 Ų75.555%0.55441%0.411SS*.Hα-helixtrans-58.9-21.1176.500000112.8N246 L250 K251N246-A248 PolarHBondContact O-N 3.22Å; N246-A248 VanDerWaalsContact OD1-CB 3.3Å; N246-A248 WeakPolarHBondContact OD1-CB 3.46Å; N246-A248 PolarHBondContact OD1-N 3Å; A248-L250 PolarHBondContact O-N 2.98Å; A248-K251 WeakPolarHBondContact O-CB 3.37Å; A248-K251 PolarHBondContact O-N 2.91Å
249K97.7Very high96.6Very high70 Ų7078.4 Ų78.430%0.30442%0.419SS..Hα-helixtrans-65-25.9174.6-72.2-179.8168.4-88.10114E223 N246 L247E223-K249 WeakPolarHBondContact OE1-CE 3.43Å; E223-K249 IonicContact OE1-NZ 3.58Å; E223-K249 PolarHBondContact OE1-NZ 2.72Å; E223-K249 WeakPolarHBondContact OE2-CD 3.28Å; E223-K249 WeakPolarHBondContact OE2-CE 3.4Å; E223-K249 IonicContact OE2-NZ 3.82Å; N246-K249 HydrophobicContact CB-CD 4.5Å; N246-K249 WeakPolarHBondContact O-CB 3.32Å; N246-K249 PolarHBondContact O-N 3.06Å; N246-K249 VanDerWaalsContact O-N 3.16Å; L247-K249 PolarHBondContact O-N 2.77Å
250L98.4Very high96.8Very high6 Ų677.8 Ų77.83%0.03141%0.413CS..Hα-helixtrans-87.5-20.2179.6-57.3178.2000112.5F222 L229 L235 L247 A248 N252 K253 S254 G255 F257F222-L250 HydrophobicContact CE2-CD1 4.34Å; F222-L250 HydrophobicContact CZ-CD1 4.41Å; L229-L250 HydrophobicContact CD2-CD2 3.77Å; L235-L250 HydrophobicContact CD2-CD2 4.46Å; L247-L250 HydrophobicContact CD2-CD1 4.42Å; L247-L250 PolarHBondContact O-N 3.44Å; A248-L250 PolarHBondContact O-N 2.98Å; L250-N252 PolarHBondContact O-N 2.97Å; L250-K253 CarbonylContact O-C 3.41Å; L250-K253 PolarHBondContact O-N 3.13Å; L250-K253 VanDerWaalsContact O-N 3.08Å; L250-S254 PolarHBondContact O-N 3.15Å; L250-S254 VanDerWaalsContact O-N 3.17Å; L250-G255 PolarHBondContact O-N 2.76Å; L250-G255 VanDerWaalsContact O-N 3.1Å; L250-F257 HydrophobicContact CD1-CB 3.65Å
251K98.4Very high97Very high157 Ų15776 Ų7668%0.68340%0.4SS*.Hα-helixtrans-53.1-52.1-173.6178.4-172.1169.8-1750113.3A248 K253 S254A248-K251 WeakPolarHBondContact O-CB 3.37Å; A248-K251 PolarHBondContact O-N 2.91Å; K251-K253 PolarHBondContact O-N 3.47Å; K251-S254 PolarHBondContact O-N 2.65Å
252N97.9Very high96.9Very high152 Ų15274.8 Ų74.881%0.81339%0.391SS*.THydrogen-bonded Turntrans-71.9-12.1-174.1-70.3-11.2000113.1L250L250-N252 PolarHBondContact O-N 2.97Å
253K98.1Very high96.9Very high47 Ų4770.2 Ų70.220%0.20436%0.357CS..THydrogen-bonded Turntrans-97.5-4.8172.6-68.2177.5174.8-174.80111.9S226 E227 L229 P231 F232 L250 K251 G255S226-K253 PolarHBondContact O-NZ 3Å; E227-K253 PolarHBondContact O-NZ 2.8Å; L229-K253 HydrophobicContact CB-CD 4.47Å; L229-K253 VanDerWaalsContact O-CD 3.27Å; L229-K253 WeakPolarHBondContact O-CD 3.23Å; L229-K253 VanDerWaalsContact O-CE 3.25Å; L229-K253 WeakPolarHBondContact O-CE 3.05Å; L229-K253 PolarHBondContact O-NZ 3.41Å; P231-K253 CarbonylContact C-O 3.44Å; P231-K253 VanDerWaalsContact CA-O 3.23Å; P231-K253 WeakPolarHBondContact CA-O 3.39Å; F232-K253 PolarHBondContact N-O 3.18Å; L250-K253 CarbonylContact O-C 3.41Å; L250-K253 PolarHBondContact O-N 3.13Å; L250-K253 VanDerWaalsContact O-N 3.08Å; K251-K253 PolarHBondContact O-N 3.47Å; K253-G255 PolarHBondContact O-N 2.87Å; K253-G255 VanDerWaalsContact O-N 3.08Å
254S98.3Very high96.9Very high79 Ų7966.3 Ų66.355%0.55235%0.347SS*.THydrogen-bonded Turntrans49.231.9-165.8-61.30000112.1L250 K251L250-S254 PolarHBondContact O-N 3.15Å; L250-S254 VanDerWaalsContact O-N 3.17Å; K251-S254 PolarHBondContact O-N 2.65Å
255G98.1Very high96.9Very high16 Ų1659.3 Ų59.317%0.16531%0.309CS..  trans-77.6145.8-178.800000110.9G233 L250 K253G233-G255 VanDerWaalsContact O-CA 3.3Å; G233-G255 WeakPolarHBondContact O-CA 3.21Å; L250-G255 PolarHBondContact O-N 2.76Å; L250-G255 VanDerWaalsContact O-N 3.1Å; K253-G255 PolarHBondContact O-N 2.87Å; K253-G255 VanDerWaalsContact O-N 3.08Å
256S98Very high96.6Very high34 Ų3459.6 Ų59.624%0.23831%0.312CS..EExtended strand (participates in β ladder)trans-90.9154.3172.775.70000111.1G233 H234 L235 D258G233-S256 PolarHBondContact O-N 3.11Å; H234-S256 WeakPolarHBondContact CA-OG 3.36Å; H234-S256 PolarHBondContact ND1-OG 3.42Å; L235-S256 PolarHBondContact N-O 2.89Å; S256-D258 WeakPolarHBondContact CB-OD2 3.43Å; S256-D258 PolarHBondContact OG-OD2 3.34Å
257F98.2Very high96.2Very high39 Ų3959.2 Ų59.217%0.17131%0.31CS..EExtended strand (participates in β ladder)trans-122.4126.1163.6-179.4-102.6000108.8T218 F222 L235 L245 L247 L250 W259T218-F257 HydrophobicContact CG2-CE2 4.5Å; T218-F257 HydrophobicContact CG2-CZ 4.24Å; F222-F257 HydrophobicContact CD2-CD2 4.17Å; F222-F257 AromaticContact CD2-CE2 3.97Å; F222-F257 HydrophobicContact CD2-CE2 3.97Å; F222-F257 AromaticContact CE2-CD2 3.86Å; F222-F257 HydrophobicContact CE2-CD2 3.86Å; F222-F257 HydrophobicContact CE2-CE2 4.1Å; F222-F257 HydrophobicContact CE2-CG 4.38Å; L235-F257 HydrophobicContact CB-CD2 4.23Å; L235-F257 HydrophobicContact CD2-CD2 4.03Å; L235-F257 HydrophobicContact CD2-CE2 4.44Å; L235-F257 HydrophobicContact CG-CD2 3.86Å; L235-F257 HydrophobicContact CG-CE2 4.23Å; L235-F257 WeakPolarHBondContact O-CA 3.33Å; L235-F257 VanDerWaalsContact O-CD2 3.23Å; L235-F257 WeakPolarHBondContact O-CD2 3.33Å; L245-F257 HydrophobicContact CD1-CE1 3.88Å; L245-F257 HydrophobicContact CD1-CE2 4.32Å; L245-F257 HydrophobicContact CD1-CZ 3.64Å; L247-F257 HydrophobicContact CD2-CB 3.98Å; L247-F257 HydrophobicContact CD2-CD1 4.11Å; L247-F257 HydrophobicContact CD2-CG 4.09Å; L250-F257 HydrophobicContact CD1-CB 3.65Å; F257-W259 AromaticContact CE1-CD2 3.81Å; F257-W259 HydrophobicContact CE1-CD2 3.81Å; F257-W259 AromaticContact CE1-CE2 3.36Å; F257-W259 HydrophobicContact CE1-CE3 4.38Å; F257-W259 HydrophobicContact CE1-CG 4.25Å; F257-W259 HydrophobicContact CE1-CH2 4.16Å; F257-W259 AromaticContact CE1-CZ2 3.57Å; F257-W259 HydrophobicContact CE1-CZ2 3.57Å; F257-W259 AromaticContact CE1-NE1 3.54Å; F257-W259 HydrophobicContact CZ-CD2 4.15Å; F257-W259 AromaticContact CZ-CE2 3.88Å; F257-W259 HydrophobicContact CZ-CE3 4.26Å; F257-W259 AromaticContact CZ-CH2 3.84Å; F257-W259 HydrophobicContact CZ-CH2 3.84Å; F257-W259 AromaticContact CZ-CZ2 3.73Å; F257-W259 HydrophobicContact CZ-CZ2 3.73Å; F257-W259 HydrophobicContact CZ-CZ3 4.11Å
258D97.7Very high96Very high24 Ų2463.6 Ų63.613%0.12832%0.322CS..EExtended strand (participates in β ladder)trans-124.6120.2-169.3-69.1-72.4000111K135 H234 L235 G236 S237 S256K135-D258 HydrophobicContact CB-CB 4.11Å; H234-D258 IonicContact ND1-OD2 2.71Å; L235-D258 PolarHBondContact O-N 3.17Å; G236-D258 CarbonylContact C-O 3.07Å; G236-D258 WeakPolarHBondContact CA-O 3.44Å; S237-D258 PolarHBondContact N-O 3.15Å; S256-D258 WeakPolarHBondContact CB-OD2 3.43Å; S256-D258 PolarHBondContact OG-OD2 3.34Å
259W98Very high95.6Very high112 Ų11265.7 Ų65.742%0.42432%0.323SS..EExtended strand (participates in β ladder)trans-84.9134.8166.5-71120000109.9K135 T218 S237 V239 L245 F257K135-W259 VanDerWaalsContact CE-O 3.32Å; K135-W259 WeakPolarHBondContact CE-O 3.37Å; T218-W259 HydrophobicContact CG2-CH2 4.07Å; S237-W259 WeakPolarHBondContact O-CA 3.43Å; V239-W259 WeakPolarHBondContact O-CH2 3.32Å; V239-W259 WeakPolarHBondContact O-CZ3 3.41Å; L245-W259 HydrophobicContact CD1-CH2 4.29Å; L245-W259 HydrophobicContact CD1-CZ2 3.96Å; F257-W259 AromaticContact CE1-CD2 3.81Å; F257-W259 HydrophobicContact CE1-CD2 3.81Å; F257-W259 AromaticContact CE1-CE2 3.36Å; F257-W259 HydrophobicContact CE1-CE3 4.38Å; F257-W259 HydrophobicContact CE1-CG 4.25Å; F257-W259 HydrophobicContact CE1-CH2 4.16Å; F257-W259 AromaticContact CE1-CZ2 3.57Å; F257-W259 HydrophobicContact CE1-CZ2 3.57Å; F257-W259 AromaticContact CE1-NE1 3.54Å; F257-W259 HydrophobicContact CZ-CD2 4.15Å; F257-W259 AromaticContact CZ-CE2 3.88Å; F257-W259 HydrophobicContact CZ-CE3 4.26Å; F257-W259 AromaticContact CZ-CH2 3.84Å; F257-W259 HydrophobicContact CZ-CH2 3.84Å; F257-W259 AromaticContact CZ-CZ2 3.73Å; F257-W259 HydrophobicContact CZ-CZ2 3.73Å; F257-W259 HydrophobicContact CZ-CZ3 4.11Å
260E97.8Very high95.5Very high17 Ų1768.2 Ų68.28%0.07934%0.336CS..  trans-114.7124.6163.8177.748.1-120.200109.9T127 E130 M131 K135 S237 I238 M262T127-E260 HydrophobicContact CG2-CG 4.14Å; T127-E260 WeakPolarHBondContact O-CG 3.5Å; E130-E260 HydrophobicContact CB-CG 4.33Å; E130-E260 WeakPolarHBondContact CB-OE2 3.42Å; M131-E260 HydrophobicContact CB-CB 3.9Å; M131-E260 HydrophobicContact CB-CG 3.96Å; M131-E260 HydrophobicContact CE-CB 3.3Å; M131-E260 HydrophobicContact CG-CB 4.42Å; M131-E260 HydrophobicContact SD-CB 3.95Å; K135-E260 HydrophobicContact CG-CB 4.37Å; K135-E260 WeakPolarHBondContact CG-OE2 3.49Å; S237-E260 PolarHBondContact O-N 3.32Å; I238-E260 HydrophobicContact CG2-CB 4.06Å; E260-M262 WeakPolarHBondContact OE1-CA 3.07Å; E260-M262 PolarHBondContact OE1-N 2.89Å
261Y95.7Very high95.3Very high132 Ų13272.7 Ų72.752%0.51836%0.36SS..  trans-138.693.5175.8179.1-115.4000107.4F263 A264 D267Y261-F263 HydrophobicContact CD1-CB 4.18Å; Y261-F263 HydrophobicContact CD2-CD2 4.05Å; Y261-F263 HydrophobicContact CE1-CB 3.57Å; Y261-F263 HydrophobicContact CE1-CD2 4.31Å; Y261-F263 HydrophobicContact CE1-CG 4.43Å; Y261-F263 HydrophobicContact CE2-CB 4.29Å; Y261-F263 AromaticContact CE2-CD2 3.43Å; Y261-F263 HydrophobicContact CE2-CD2 3.43Å; Y261-F263 VanDerWaalsContact CE2-CD2 3.43Å; Y261-F263 HydrophobicContact CE2-CE2 4.25Å; Y261-F263 HydrophobicContact CE2-CG 4.31Å; Y261-F263 AromaticContact CZ-CD2 3.57Å; Y261-F263 AromaticContact CZ-CG 4Å; Y261-F263 PolarHBondContact O-N 3.43Å; Y261-A264 HydrophobicContact CD1-CB 4.09Å; Y261-A264 VanDerWaalsContact O-CB 3.23Å; Y261-A264 WeakPolarHBondContact O-CB 3.42Å; Y261-A264 PolarHBondContact O-N 3.17Å; Y261-D267 WeakPolarHBondContact CE1-OD2 3.31Å
262M92.4Very high95Very high6 Ų665.9 Ų65.93%0.0333%0.331CS..THydrogen-bonded Turntrans-61-15.5-168.964.4130.2-67.100114.2L123 I126 T127 E130 E260 A264 Q275L123-M262 HydrophobicContact CB-SD 4.38Å; L123-M262 HydrophobicContact CD1-SD 4.44Å; L123-M262 HydrophobicContact CG-SD 3.85Å; I126-M262 HydrophobicContact CB-SD 4.48Å; I126-M262 HydrophobicContact CG2-CB 3.89Å; I126-M262 HydrophobicContact CG2-SD 4.3Å; T127-M262 WeakPolarHBondContact OG1-CG 3.41Å; E130-M262 WeakPolarHBondContact OE2-CA 3.39Å; E260-M262 WeakPolarHBondContact OE1-CA 3.07Å; E260-M262 PolarHBondContact OE1-N 2.89Å; M262-A264 VanDerWaalsContact C-N 3.34Å; M262-Q275 PolarHBondContact O-NE2 2.8Å
263F92Very high94.9Very high15 Ų1561 Ų617%0.06631%0.312CS..THydrogen-bonded Turntrans-79.4-15174.7-52.4-78.7000113.1F66 L123 Y261 K265 T266 D267F66-F263 HydrophobicContact CB-CZ 4.45Å; F66-F263 AromaticContact CD1-CE1 3.39Å; F66-F263 HydrophobicContact CD1-CE1 3.39Å; F66-F263 AromaticContact CD1-CZ 3.55Å; F66-F263 HydrophobicContact CD1-CZ 3.55Å; F66-F263 AromaticContact CE1-CE1 3.76Å; F66-F263 HydrophobicContact CE1-CE1 3.76Å; F66-F263 AromaticContact CE1-CZ 3.85Å; F66-F263 HydrophobicContact CE1-CZ 3.85Å; F66-F263 HydrophobicContact CG-CE1 4.2Å; F66-F263 HydrophobicContact CG-CZ 4Å; L123-F263 HydrophobicContact CD1-CZ 4.09Å; Y261-F263 HydrophobicContact CD1-CB 4.18Å; Y261-F263 HydrophobicContact CD2-CD2 4.05Å; Y261-F263 HydrophobicContact CE1-CB 3.57Å; Y261-F263 HydrophobicContact CE1-CD2 4.31Å; Y261-F263 HydrophobicContact CE1-CG 4.43Å; Y261-F263 HydrophobicContact CE2-CB 4.29Å; Y261-F263 AromaticContact CE2-CD2 3.43Å; Y261-F263 HydrophobicContact CE2-CD2 3.43Å; Y261-F263 VanDerWaalsContact CE2-CD2 3.43Å; Y261-F263 HydrophobicContact CE2-CE2 4.25Å; Y261-F263 HydrophobicContact CE2-CG 4.31Å; Y261-F263 AromaticContact CZ-CD2 3.57Å; Y261-F263 AromaticContact CZ-CG 4Å; Y261-F263 PolarHBondContact O-N 3.43Å; F263-K265 PolarHBondContact O-N 3.49Å; F263-T266 PolarHBondContact O-N 2.75Å; F263-T266 PolarHBondContact O-OG1 3.08Å; F263-D267 WeakPolarHBondContact O-CB 3.36Å; F263-D267 PolarHBondContact O-N 3.23Å
264A94.5Very high94.8Very high37 Ų3759.6 Ų59.631%0.30631%0.308SS..Hα-helixtrans-54.8-41179.500000112.2Y261 M262 T266 D267 Y268Y261-A264 HydrophobicContact CD1-CB 4.09Å; Y261-A264 VanDerWaalsContact O-CB 3.23Å; Y261-A264 WeakPolarHBondContact O-CB 3.42Å; Y261-A264 PolarHBondContact O-N 3.17Å; M262-A264 VanDerWaalsContact C-N 3.34Å; A264-T266 VanDerWaalsContact C-N 3.32Å; A264-T266 PolarHBondContact O-N 3.02Å; A264-D267 PolarHBondContact O-N 3.35Å; A264-Y268 HydrophobicContact CB-CD2 4.48Å; A264-Y268 WeakPolarHBondContact O-CB 3.49Å; A264-Y268 WeakPolarHBondContact O-CD2 3.32Å; A264-Y268 PolarHBondContact O-N 3.3Å
265K94.4Very high94.7Very high18 Ų1855.8 Ų55.88%0.07828%0.281CS..Hα-helixtrans-60.8-40.1176.9-72.3-169.7-174.9168.10112.5E130 E134 F263 N269 H270 I272 S274 Q275E130-K265 VanDerWaalsContact OE1-CD 3.32Å; E130-K265 WeakPolarHBondContact OE1-CD 3.31Å; E130-K265 VanDerWaalsContact OE1-CE 3.24Å; E130-K265 WeakPolarHBondContact OE1-CE 3.23Å; E130-K265 IonicContact OE1-NZ 2.56Å; E130-K265 PolarHBondContact OE1-NZ 2.8Å; E134-K265 IonicContact OE1-NZ 3.8Å; E134-K265 PolarHBondContact OE1-NZ 3.37Å; E134-K265 VanDerWaalsContact OE2-CE 3.27Å; E134-K265 WeakPolarHBondContact OE2-CE 3.19Å; E134-K265 IonicContact OE2-NZ 2.8Å; E134-K265 PolarHBondContact OE2-NZ 2.96Å; F263-K265 PolarHBondContact O-N 3.49Å; K265-N269 CarbonylContact O-C 3.39Å; K265-N269 WeakPolarHBondContact O-CA 3.23Å; K265-N269 PolarHBondContact O-N 2.94Å; K265-N269 VanDerWaalsContact O-N 3.16Å; K265-H270 WeakPolarHBondContact CA-O 3.31Å; K265-H270 WeakPolarHBondContact CB-O 3.3Å; K265-H270 WeakPolarHBondContact CG-O 3.4Å; K265-H270 PolarHBondContact O-N 3.16Å; K265-I272 WeakPolarHBondContact O-CG1 3.33Å; K265-S274 WeakPolarHBondContact CD-OG 3.38Å; K265-S274 PolarHBondContact NZ-OG 2.89Å; K265-Q275 HydrophobicContact CD-CG 4.23Å
266T89.5Confident94.6Very high38 Ų3855.2 Ų55.223%0.23328%0.275CS..Hα-helixtrans-78.1-40.7178.1480000112.5I105 F263 A264 Y268 N269I105-T266 HydrophobicContact CG2-CG2 4.49Å; F263-T266 PolarHBondContact O-N 2.75Å; F263-T266 PolarHBondContact O-OG1 3.08Å; A264-T266 VanDerWaalsContact C-N 3.32Å; A264-T266 PolarHBondContact O-N 3.02Å; T266-Y268 VanDerWaalsContact C-N 3.31Å; T266-Y268 PolarHBondContact O-N 3.06Å; T266-N269 PolarHBondContact O-N 3.3Å
267D89.7Confident94.6Very high81 Ų8156 Ų5643%0.43328%0.284SS..Hα-helixtrans-66.2-35.5-177.2-66.8-8.5000111.7Y261 F263 A264Y261-D267 WeakPolarHBondContact CE1-OD2 3.31Å; F263-D267 WeakPolarHBondContact O-CB 3.36Å; F263-D267 PolarHBondContact O-N 3.23Å; A264-D267 PolarHBondContact O-N 3.35Å
268Y93.4Very high94.6Very high189 Ų18954.5 Ų54.574%0.74128%0.278SS*.THydrogen-bonded Turntrans-10710.8-178.9-62.8-78.1000113.8A264 T266 H270A264-Y268 HydrophobicContact CB-CD2 4.48Å; A264-Y268 WeakPolarHBondContact O-CB 3.49Å; A264-Y268 WeakPolarHBondContact O-CD2 3.32Å; A264-Y268 PolarHBondContact O-N 3.3Å; T266-Y268 VanDerWaalsContact C-N 3.31Å; T266-Y268 PolarHBondContact O-N 3.06Å; Y268-H270 PolarHBondContact O-N 2.83Å
269N90.1Very high94.6Very high111 Ų11153.3 Ų53.359%0.59427%0.271SS*.THydrogen-bonded Turntrans5042.4-178.7-172.244.3000113.5K265 T266 I272K265-N269 CarbonylContact O-C 3.39Å; K265-N269 WeakPolarHBondContact O-CA 3.23Å; K265-N269 PolarHBondContact O-N 2.94Å; K265-N269 VanDerWaalsContact O-N 3.16Å; T266-N269 PolarHBondContact O-N 3.3Å; N269-I272 HydrophobicContact CB-CD1 4.43Å; N269-I272 WeakPolarHBondContact OD1-CD1 3.37Å
270H94.8Very high94.5Very high123 Ų12352.6 Ų52.657%0.56927%0.273SS*.  trans-104.4114.9-176.8-178.982.4000110.7K265 Y268 I272K265-H270 WeakPolarHBondContact CA-O 3.31Å; K265-H270 WeakPolarHBondContact CB-O 3.3Å; K265-H270 WeakPolarHBondContact CG-O 3.4Å; K265-H270 PolarHBondContact O-N 3.16Å; Y268-H270 PolarHBondContact O-N 2.83Å; H270-I272 PolarHBondContact O-N 3.18Å
271N95.2Very high94.6Very high99 Ų9952.5 Ų52.553%0.52927%0.272SS..SBendtrans44.141176-163.615.5000114.5A273 S274N271-A273 PolarHBondContact O-N 2.9Å; N271-S274 WeakPolarHBondContact O-CB 3.14Å; N271-S274 PolarHBondContact O-N 3.36Å; N271-S274 PolarHBondContact O-OG 3.37Å
272I91.7Very high94.7Very high14 Ų1446.4 Ų46.47%0.07225%0.249CC..THydrogen-bonded Turntrans-50.5-39.9-173.6-67.7-179.4000112.4R104 I105 K265 N269 H270 S274 Q275R104-I272 HydrophobicContact CB-CG2 4.09Å; I105-I272 HydrophobicContact CG2-CG2 3.33Å; K265-I272 WeakPolarHBondContact O-CG1 3.33Å; N269-I272 HydrophobicContact CB-CD1 4.43Å; N269-I272 WeakPolarHBondContact OD1-CD1 3.37Å; H270-I272 PolarHBondContact O-N 3.18Å; I272-S274 PolarHBondContact O-N 2.79Å; I272-S274 VanDerWaalsContact O-N 3.15Å; I272-Q275 PolarHBondContact O-N 2.7Å; I272-Q275 VanDerWaalsContact O-N 3.08Å
273A94.8Very high94.9Very high51 Ų5146.7 Ų46.742%0.42125%0.251SS..Hα-helixtrans-62.1-20.4-17800000114R104 N271 Q275 G276 A277R104-A273 HydrophobicContact CB-CB 4.21Å; N271-A273 PolarHBondContact O-N 2.9Å; A273-Q275 PolarHBondContact O-N 2.89Å; A273-G276 PolarHBondContact O-N 2.79Å; A273-A277 PolarHBondContact O-N 2.89Å
274S97.4Very high95.2Very high16 Ų1651.8 Ų51.811%0.11227%0.27CS..Hα-helixtrans-61-31.6174.373.60000111.9K265 N271 I272 A277 I278K265-S274 WeakPolarHBondContact CD-OG 3.38Å; K265-S274 PolarHBondContact NZ-OG 2.89Å; N271-S274 WeakPolarHBondContact O-CB 3.14Å; N271-S274 PolarHBondContact O-N 3.36Å; N271-S274 PolarHBondContact O-OG 3.37Å; I272-S274 PolarHBondContact O-N 2.79Å; I272-S274 VanDerWaalsContact O-N 3.15Å; S274-A277 PolarHBondContact O-N 3.15Å; S274-I278 VanDerWaalsContact O-CG1 3.23Å; S274-I278 WeakPolarHBondContact O-CG1 3.17Å; S274-I278 PolarHBondContact O-N 3.47Å
275Q95.7Very high95.4Very high0 Ų050.1 Ų50.10%026%0.256CS..Hα-helixtrans-70.8-34179.5-70.1-170.7-15.200112.4I105 I126 E130 M262 K265 I272 A273 I278 L279I105-Q275 HydrophobicContact CG2-CB 4.21Å; I126-Q275 HydrophobicContact CD1-CB 4.19Å; I126-Q275 HydrophobicContact CD1-CG 4.49Å; I126-Q275 HydrophobicContact CG2-CG 4.03Å; E130-Q275 VanDerWaalsContact OE1-CG 3.26Å; E130-Q275 WeakPolarHBondContact OE1-CG 3.24Å; E130-Q275 PolarHBondContact OE1-NE2 2.92Å; E130-Q275 PolarHBondContact OE2-NE2 3.31Å; M262-Q275 PolarHBondContact O-NE2 2.8Å; K265-Q275 HydrophobicContact CD-CG 4.23Å; I272-Q275 PolarHBondContact O-N 2.7Å; I272-Q275 VanDerWaalsContact O-N 3.08Å; A273-Q275 PolarHBondContact O-N 2.89Å; Q275-I278 PolarHBondContact O-N 3.05Å; Q275-L279 VanDerWaalsContact O-CG 3.3Å; Q275-L279 WeakPolarHBondContact O-CG 3.45Å; Q275-L279 PolarHBondContact O-N 2.85Å
276G95.3Very high95.5Very high4 Ų450.5 Ų50.54%0.04126%0.258CS..Hα-helixtrans-61.7-46168.800000111.5R104 A273 I278 L279 E280R104-G276 VanDerWaalsContact O-CA 3.22Å; R104-G276 WeakPolarHBondContact O-CA 2.95Å; R104-G276 PolarHBondContact O-N 2.85Å; R104-G276 VanDerWaalsContact O-N 3.13Å; A273-G276 PolarHBondContact O-N 2.79Å; G276-I278 VanDerWaalsContact C-N 3.32Å; G276-I278 PolarHBondContact O-N 3.42Å; G276-L279 WeakPolarHBondContact O-CB 3.07Å; G276-L279 PolarHBondContact O-N 2.88Å; G276-E280 WeakPolarHBondContact O-CG 3.48Å; G276-E280 PolarHBondContact O-N 3.31Å
277A97.6Very high95.8Very high51 Ų5152.5 Ų52.542%0.42127%0.265SS..Hα-helixtrans-61.9-36.817700000113.1A273 S274 L279 E280 L281A273-A277 PolarHBondContact O-N 2.89Å; S274-A277 PolarHBondContact O-N 3.15Å; A277-L279 VanDerWaalsContact C-N 3.35Å; A277-E280 PolarHBondContact O-N 2.79Å; A277-L281 PolarHBondContact O-N 3.47Å
278I98.3Very high96.2Very high6 Ų653.6 Ų53.63%0.03127%0.268CS..Hα-helixtrans-64.6-39.7173.2-69.2165.1000110.9F125 I126 Y129 E130 S274 Q275 G276 L281 L282F125-I278 HydrophobicContact CD1-CG2 3.68Å; F125-I278 HydrophobicContact CE1-CG2 3.76Å; F125-I278 WeakPolarHBondContact CE1-O 3.33Å; I126-I278 HydrophobicContact CG1-CG2 3.95Å; Y129-I278 HydrophobicContact CD1-CD1 3.53Å; Y129-I278 HydrophobicContact CD1-CG1 3.54Å; Y129-I278 HydrophobicContact CD1-CG2 4.17Å; Y129-I278 HydrophobicContact CE1-CD1 3.99Å; Y129-I278 HydrophobicContact CE1-CG1 3.73Å; Y129-I278 HydrophobicContact CG-CD1 4.39Å; Y129-I278 HydrophobicContact CG-CG1 4.2Å; Y129-I278 HydrophobicContact CG-CG2 4Å; E130-I278 HydrophobicContact CG-CD1 3.76Å; S274-I278 VanDerWaalsContact O-CG1 3.23Å; S274-I278 WeakPolarHBondContact O-CG1 3.17Å; S274-I278 PolarHBondContact O-N 3.47Å; Q275-I278 PolarHBondContact O-N 3.05Å; G276-I278 VanDerWaalsContact C-N 3.32Å; G276-I278 PolarHBondContact O-N 3.42Å; I278-L281 WeakPolarHBondContact O-CB 3.2Å; I278-L281 PolarHBondContact O-N 3.06Å; I278-L282 PolarHBondContact O-N 3.25Å
279L97.7Very high96.3Very high0 Ų053 Ų530%027%0.269CS..Hα-helixtrans-69.5-33.4175.9-67.7170.6000112.4K90 I105 A107 P122 I126 Q275 G276 A277 L281 L282 V283K90-L279 HydrophobicContact CD-CD1 4.47Å; I105-L279 WeakPolarHBondContact O-CD1 3.37Å; A107-L279 HydrophobicContact CB-CB 3.58Å; P122-L279 HydrophobicContact CB-CD2 3.68Å; P122-L279 HydrophobicContact CG-CD2 4.43Å; I126-L279 HydrophobicContact CD1-CD1 4.13Å; I126-L279 HydrophobicContact CD1-CD2 3.95Å; I126-L279 HydrophobicContact CD1-CG 3.97Å; I126-L279 HydrophobicContact CG1-CD2 4.1Å; I126-L279 HydrophobicContact CG1-CG 4.3Å; Q275-L279 VanDerWaalsContact O-CG 3.3Å; Q275-L279 WeakPolarHBondContact O-CG 3.45Å; Q275-L279 PolarHBondContact O-N 2.85Å; G276-L279 WeakPolarHBondContact O-CB 3.07Å; G276-L279 PolarHBondContact O-N 2.88Å; A277-L279 VanDerWaalsContact C-N 3.35Å; L279-L281 VanDerWaalsContact C-N 3.33Å; L279-L282 HydrophobicContact CD2-CD2 3.92Å; L279-L282 WeakPolarHBondContact O-CB 3.34Å; L279-L282 PolarHBondContact O-N 3.34Å; L279-V283 WeakPolarHBondContact O-CG2 3.41Å; L279-V283 PolarHBondContact O-N 3.01Å
280E97.4Very high96.7Very high97 Ų9753.7 Ų53.745%0.45327%0.267SS..Hα-helixtrans-64.8-39.5171.1-70.2175178.700111.2A107 G276 A277 V283 R284A107-E280 HydrophobicContact CB-CB 4.48Å; A107-E280 HydrophobicContact CB-CG 3.8Å; G276-E280 WeakPolarHBondContact O-CG 3.48Å; G276-E280 PolarHBondContact O-N 3.31Å; A277-E280 PolarHBondContact O-N 2.79Å; E280-V283 PolarHBondContact O-N 3.11Å; E280-R284 WeakPolarHBondContact O-CG 3.35Å; E280-R284 PolarHBondContact O-N 3.42Å
281L98.2Very high96.8Very high14 Ų1448.1 Ų48.17%0.07324%0.241CC..Hα-helixtrans-61.8-45.4171.5176.165.3000111.4F125 Y129 W164 A277 I278 L279 V283 R284 L285F125-L281 HydrophobicContact CZ-CG 4.45Å; Y129-L281 HydrophobicContact CD2-CD2 3.92Å; Y129-L281 HydrophobicContact CE2-CD2 3.32Å; W164-L281 HydrophobicContact CH2-CD1 4.37Å; W164-L281 HydrophobicContact CH2-CD2 4.35Å; A277-L281 PolarHBondContact O-N 3.47Å; I278-L281 WeakPolarHBondContact O-CB 3.2Å; I278-L281 PolarHBondContact O-N 3.06Å; L279-L281 VanDerWaalsContact C-N 3.33Å; L281-V283 VanDerWaalsContact C-N 3.33Å; L281-V283 PolarHBondContact O-N 2.91Å; L281-R284 VanDerWaalsContact CD1-NH2 3.35Å; L281-R284 PolarHBondContact O-N 3.27Å; L281-L285 HydrophobicContact CD1-CD1 4.04Å; L281-L285 HydrophobicContact CD1-CD2 4.2Å; L281-L285 HydrophobicContact CD1-CG 3.86Å; L281-L285 HydrophobicContact CG-CD1 3.98Å; L281-L285 HydrophobicContact CG-CG 4.19Å; L281-L285 WeakPolarHBondContact O-CG 3.25Å; L281-L285 PolarHBondContact O-N 3.01Å
282L98.2Very high96.9Very high5 Ų549.2 Ų49.23%0.02624%0.241CC..Hα-helixtrans-51.8-51.6174162.560.9000111.2M121 F125 I278 L279 R284 L285 L286 I291M121-L282 HydrophobicContact CB-CD1 3.94Å; M121-L282 HydrophobicContact CB-CD2 3.71Å; M121-L282 HydrophobicContact CB-CG 4.46Å; M121-L282 HydrophobicContact CE-CD1 3.89Å; M121-L282 HydrophobicContact CG-CD1 4.3Å; F125-L282 HydrophobicContact CB-CD1 4.41Å; F125-L282 HydrophobicContact CB-CD2 4.14Å; F125-L282 HydrophobicContact CD1-CB 3.68Å; F125-L282 HydrophobicContact CD1-CD2 4.49Å; F125-L282 HydrophobicContact CD1-CG 4.46Å; F125-L282 HydrophobicContact CD2-CB 4.21Å; F125-L282 HydrophobicContact CD2-CD1 3.69Å; F125-L282 HydrophobicContact CD2-CG 4.41Å; F125-L282 HydrophobicContact CE1-CB 3.68Å; F125-L282 HydrophobicContact CE2-CB 4.24Å; F125-L282 HydrophobicContact CE2-CD1 4.08Å; F125-L282 HydrophobicContact CG-CB 3.94Å; F125-L282 HydrophobicContact CG-CD1 3.97Å; F125-L282 HydrophobicContact CG-CD2 4.22Å; F125-L282 HydrophobicContact CG-CG 4.26Å; F125-L282 HydrophobicContact CZ-CB 3.97Å; I278-L282 PolarHBondContact O-N 3.25Å; L279-L282 HydrophobicContact CD2-CD2 3.92Å; L279-L282 WeakPolarHBondContact O-CB 3.34Å; L279-L282 PolarHBondContact O-N 3.34Å; L282-R284 PolarHBondContact O-N 3.49Å; L282-L285 PolarHBondContact O-N 2.92Å; L282-L286 HydrophobicContact CD1-CD1 3.67Å; L282-L286 HydrophobicContact CD1-CG 3.96Å; L282-L286 HydrophobicContact CG-CD1 4.14Å; L282-L286 WeakPolarHBondContact O-CG 3.34Å; L282-L286 PolarHBondContact O-N 3.16Å; L282-I291 HydrophobicContact CD1-CD1 3.8Å
283V97.5Very high97.2Very high12 Ų1249.2 Ų49.27%0.07324%0.242CC..Hα-helixtrans-59.1-47.4179.8170.50000110.9A107 L109 P110 L279 E280 L281 L285 L286 Q287A107-V283 HydrophobicContact CB-CG2 4.36Å; L109-V283 HydrophobicContact CD1-CG2 4.2Å; P110-V283 VanDerWaalsContact CD-CG1 3.4Å; P110-V283 HydrophobicContact CG-CG1 3.92Å; L279-V283 WeakPolarHBondContact O-CG2 3.41Å; L279-V283 PolarHBondContact O-N 3.01Å; E280-V283 PolarHBondContact O-N 3.11Å; L281-V283 VanDerWaalsContact C-N 3.33Å; L281-V283 PolarHBondContact O-N 2.91Å; V283-L285 PolarHBondContact O-N 3.46Å; V283-L286 PolarHBondContact O-N 3.1Å; V283-Q287 WeakPolarHBondContact O-CG 3.22Å; V283-Q287 PolarHBondContact O-N 2.98Å
284R97.7Very high97.3Very high122 Ų12246.8 Ų46.846%0.4622%0.222SC..Hα-helixtrans-60.2-45.6177.4-71.9-171-63.2113.4-6112.3E280 L281 L282 L286 Q287 E288E280-R284 WeakPolarHBondContact O-CG 3.35Å; E280-R284 PolarHBondContact O-N 3.42Å; L281-R284 VanDerWaalsContact CD1-NH2 3.35Å; L281-R284 PolarHBondContact O-N 3.27Å; L282-R284 PolarHBondContact O-N 3.49Å; R284-L286 VanDerWaalsContact C-N 3.3Å; R284-L286 PolarHBondContact O-N 2.8Å; R284-Q287 PolarHBondContact O-N 2.97Å; R284-E288 WeakPolarHBondContact O-CB 3.35Å; R284-E288 WeakPolarHBondContact O-CG 3.43Å; R284-E288 PolarHBondContact O-N 2.76Å
285L98.2Very high97.4Very high2 Ų247.6 Ų47.61%0.0123%0.225CC..Hα-helixtrans-65.9-31.7179.9-66.7-178.7000112.8F125 L161 W164 L281 L282 V283 K289 K290 I291F125-L285 HydrophobicContact CE2-CD1 4.3Å; F125-L285 HydrophobicContact CZ-CD1 3.98Å; L161-L285 HydrophobicContact CD2-CD1 4.24Å; W164-L285 HydrophobicContact CD2-CD1 4.35Å; W164-L285 HydrophobicContact CD2-CD2 4.44Å; W164-L285 HydrophobicContact CZ2-CD2 4.03Å; L281-L285 HydrophobicContact CD1-CD1 4.04Å; L281-L285 HydrophobicContact CD1-CD2 4.2Å; L281-L285 HydrophobicContact CD1-CG 3.86Å; L281-L285 HydrophobicContact CG-CD1 3.98Å; L281-L285 HydrophobicContact CG-CG 4.19Å; L281-L285 WeakPolarHBondContact O-CG 3.25Å; L281-L285 PolarHBondContact O-N 3.01Å; L282-L285 PolarHBondContact O-N 2.92Å; V283-L285 PolarHBondContact O-N 3.46Å; L285-K289 PolarHBondContact O-N 3.41Å; L285-K290 HydrophobicContact CB-CB 4.31Å; L285-K290 HydrophobicContact CD2-CB 3.83Å; L285-K290 HydrophobicContact CD2-CG 4.13Å; L285-K290 PolarHBondContact O-N 3.25Å; L285-I291 HydrophobicContact CB-CD1 3.78Å; L285-I291 HydrophobicContact CB-CG1 3.81Å; L285-I291 HydrophobicContact CB-CG2 4.27Å; L285-I291 HydrophobicContact CD1-CD1 4.35Å; L285-I291 HydrophobicContact CD1-CG2 4.25Å; L285-I291 PolarHBondContact O-N 3.11Å
286L97.3Very high97.5Very high25 Ų2550.6 Ų50.613%0.13124%0.243CC..Hα-helixtrans-67.3-47.4171.7-73.8170000111.3V113 L282 V283 R284 E288 K289 I291V113-L286 HydrophobicContact CG1-CD1 4.22Å; L282-L286 HydrophobicContact CD1-CD1 3.67Å; L282-L286 HydrophobicContact CD1-CG 3.96Å; L282-L286 HydrophobicContact CG-CD1 4.14Å; L282-L286 WeakPolarHBondContact O-CG 3.34Å; L282-L286 PolarHBondContact O-N 3.16Å; V283-L286 PolarHBondContact O-N 3.1Å; R284-L286 VanDerWaalsContact C-N 3.3Å; R284-L286 PolarHBondContact O-N 2.8Å; L286-E288 PolarHBondContact O-N 3.46Å; L286-K289 PolarHBondContact O-N 3.11Å; L286-I291 HydrophobicContact CD2-CD1 4.45Å; L286-I291 HydrophobicContact CD2-CG1 3.96Å; L286-I291 HydrophobicContact CG-CD1 4.38Å; L286-I291 HydrophobicContact CG-CG1 4.19Å
287Q96.8Very high97.6Very high80 Ų8054.2 Ų54.237%0.37426%0.258SS..Hα-helixtrans-63.4-42.2178.7-70.6-173.3-68.900112.4D112 V113 V283 R284 K289D112-Q287 PolarHBondContact OD1-NE2 3.04Å; D112-Q287 PolarHBondContact OD2-NE2 3.3Å; V113-Q287 HydrophobicContact CG2-CG 3.77Å; V283-Q287 WeakPolarHBondContact O-CG 3.22Å; V283-Q287 PolarHBondContact O-N 2.98Å; R284-Q287 PolarHBondContact O-N 2.97Å; Q287-K289 PolarHBondContact O-N 2.97Å
288E96.9Very high97.6Very high104 Ų10455.7 Ų55.749%0.48626%0.258SS..THydrogen-bonded Turntrans-74.1-1.9175.6-67.1175.5-158.300113.1R284 L286 K290R284-E288 WeakPolarHBondContact O-CB 3.35Å; R284-E288 WeakPolarHBondContact O-CG 3.43Å; R284-E288 PolarHBondContact O-N 2.76Å; L286-E288 PolarHBondContact O-N 3.46Å; E288-K290 HydrophobicContact CB-CG 3.78Å; E288-K290 PolarHBondContact O-N 3.48Å; E288-K290 VanDerWaalsContact O-N 3.13Å
289K95.9Very high97.6Very high178 Ų17855.9 Ų55.977%0.77426%0.259SS*.THydrogen-bonded Turntrans54.628.7-177.5-54.4177.7-177.91770113L285 L286 Q287 I291L285-K289 PolarHBondContact O-N 3.41Å; L286-K289 PolarHBondContact O-N 3.11Å; Q287-K289 PolarHBondContact O-N 2.97Å; K289-I291 VanDerWaalsContact C-N 3.34Å
290K97.3Very high97.6Very high125 Ų12560.5 Ų60.554%0.54329%0.289SS..SBendtrans-76.4-28.7174.5-63.7-61.4-178.1179.40111.5L285 E288L285-K290 HydrophobicContact CB-CB 4.31Å; L285-K290 HydrophobicContact CD2-CB 3.83Å; L285-K290 HydrophobicContact CD2-CG 4.13Å; L285-K290 PolarHBondContact O-N 3.25Å; E288-K290 HydrophobicContact CB-CG 3.78Å; E288-K290 PolarHBondContact O-N 3.48Å; E288-K290 VanDerWaalsContact O-N 3.13Å
291I97.9Very high97.6Very high5 Ų557 Ų573%0.02628%0.279CS..SBendtrans-129.9167.6168.972.7-177.6000109.4M121 F125 Q160 L282 L285 L286 K289M121-I291 HydrophobicContact CE-CD1 4.28Å; F125-I291 HydrophobicContact CD2-CD1 3.95Å; F125-I291 HydrophobicContact CE2-CD1 3.45Å; F125-I291 VanDerWaalsContact CE2-CD1 3.45Å; F125-I291 HydrophobicContact CZ-CD1 4.41Å; Q160-I291 HydrophobicContact CB-CB 4.35Å; Q160-I291 HydrophobicContact CB-CG2 4Å; L282-I291 HydrophobicContact CD1-CD1 3.8Å; L285-I291 HydrophobicContact CB-CD1 3.78Å; L285-I291 HydrophobicContact CB-CG1 3.81Å; L285-I291 HydrophobicContact CB-CG2 4.27Å; L285-I291 HydrophobicContact CD1-CD1 4.35Å; L285-I291 HydrophobicContact CD1-CG2 4.25Å; L285-I291 PolarHBondContact O-N 3.11Å; L286-I291 HydrophobicContact CD2-CD1 4.45Å; L286-I291 HydrophobicContact CD2-CG1 3.96Å; L286-I291 HydrophobicContact CG-CD1 4.38Å; L286-I291 HydrophobicContact CG-CG1 4.19Å; K289-I291 VanDerWaalsContact C-N 3.34Å
292K97.3Very high97.6Very high122 Ų12256.8 Ų56.853%0.5328%0.277SS..  trans-124.2154177.6-59.1174.3-172.9169.30109.2Q160Q160-K292 PolarHBondContact NE2-O 3.39Å; Q160-K292 VanDerWaalsContact NE2-O 3.13Å; Q160-K292 PolarHBondContact OE1-O 3.3Å
293S97.8Very high97.6Very high14 Ų1459 Ų5910%0.09829%0.291CS..  trans-59.9143.8172.4-176.30000111.4E117 L295E117-S293 WeakPolarHBondContact CA-OG 3.47Å; E117-S293 WeakPolarHBondContact CB-OG 3.32Å; E117-S293 PolarHBondContact O-OG 3.03Å; S293-L295 VanDerWaalsContact C-N 3.29Å; S293-L295 WeakPolarHBondContact OG-CB 3.42Å; S293-L295 PolarHBondContact OG-N 2.87Å
294T98.2Very high97.6Very high0 Ų059.1 Ų59.10%029%0.292CS..  trans-91.68.7173.961.30000112.5M121 S156 V157 M185 T296 G321 K322M121-T294 HydrophobicContact CE-CG2 4.36Å; M121-T294 HydrophobicContact SD-CG2 3.87Å; M121-T294 PolarHBondContact SD-N 3.36Å; M121-T294 PolarHBondContact SD-OG1 2.91Å; M121-T294 VanDerWaalsContact SD-OG1 3.36Å; S156-T294 VanDerWaalsContact CB-CG2 3.47Å; V157-T294 HydrophobicContact CG2-CG2 3.82Å; M185-T294 HydrophobicContact SD-CG2 4.31Å; T294-T296 PolarHBondContact O-N 3.45Å; T294-G321 CarbonylContact O-C 3.47Å; T294-G321 WeakPolarHBondContact O-CA 3.48Å; T294-K322 PolarHBondContact O-N 2.9Å; T294-K322 WeakPolarHBondContact OG1-CG 3.33Å
295L98.3Very high97.7Very high33 Ų3358.7 Ų58.717%0.17330%0.295CS..EExtended strand (participates in β ladder)trans-61.2130176.3179.262.5000111.1D116 E117 A120 S293 K297 I298 V324D116-L295 HydrophobicContact CB-CD2 3.87Å; E117-L295 HydrophobicContact CG-CD2 4Å; A120-L295 HydrophobicContact CB-CB 3.88Å; A120-L295 HydrophobicContact CB-CD1 4.32Å; S293-L295 VanDerWaalsContact C-N 3.29Å; S293-L295 WeakPolarHBondContact OG-CB 3.42Å; S293-L295 PolarHBondContact OG-N 2.87Å; L295-K297 WeakPolarHBondContact CD1-O 3.13Å; L295-I298 HydrophobicContact CD1-CG1 3.98Å; L295-I298 HydrophobicContact CD2-CD1 3.97Å; L295-I298 HydrophobicContact CD2-CG1 3.98Å; L295-I298 HydrophobicContact CG-CG1 4.32Å; L295-V324 HydrophobicContact CD1-CB 3.72Å; L295-V324 HydrophobicContact CD1-CG2 3.65Å
296T97.7Very high97.7Very high63 Ų6359.3 Ų59.339%0.38730%0.299SS..EExtended strand (participates in β ladder)trans-134-19.3177.550.90000113W181 T294 M319 I320 K322W181-T296 HydrophobicContact CE3-CG2 4.08Å; W181-T296 HydrophobicContact CH2-CG2 3.37Å; W181-T296 HydrophobicContact CZ2-CG2 3.88Å; W181-T296 HydrophobicContact CZ3-CG2 3.47Å; W181-T296 VanDerWaalsContact CZ3-CG2 3.47Å; T294-T296 PolarHBondContact O-N 3.45Å; T296-M319 WeakPolarHBondContact OG1-CE 3.49Å; T296-I320 WeakPolarHBondContact CB-O 3.23Å; T296-I320 VanDerWaalsContact CG2-O 3.3Å; T296-I320 WeakPolarHBondContact CG2-O 3.41Å; T296-I320 PolarHBondContact OG1-O 3.4Å; T296-K322 PolarHBondContact N-O 2.71Å; T296-K322 PolarHBondContact OG1-N 2.81Å; T296-K322 PolarHBondContact OG1-O 3.44Å
297K97.7Very high97.7Very high81 Ų8158.1 Ų58.135%0.35229%0.293SS..EExtended strand (participates in β ladder)trans-142.4134.4178.8-164.9168.3-174.9-177.80111.5L295 I313 M319 K322 L323 V324L295-K297 WeakPolarHBondContact CD1-O 3.13Å; K297-I313 HydrophobicContact CD-CD1 4.24Å; K297-I313 HydrophobicContact CD-CG2 4.41Å; K297-M319 HydrophobicContact CB-CE 3.84Å; K297-K322 PolarHBondContact N-O 3.17Å; K297-L323 HydrophobicContact CB-CD1 4.48Å; K297-L323 HydrophobicContact CB-CG 4.3Å; K297-L323 HydrophobicContact CD-CD1 4.04Å; K297-L323 HydrophobicContact CG-CD1 4.37Å; K297-L323 WeakPolarHBondContact O-CA 3.39Å; K297-V324 PolarHBondContact O-N 3.17Å
298I98.2Very high97.8Very high81 Ų8156.2 Ų56.242%0.41528%0.283SS..EExtended strand (participates in β ladder)trans-117.3134.9172.7-57.8171.8000108.1D116 L295 V324 H326D116-I298 HydrophobicContact CB-CD1 4.24Å; L295-I298 HydrophobicContact CD1-CG1 3.98Å; L295-I298 HydrophobicContact CD2-CD1 3.97Å; L295-I298 HydrophobicContact CD2-CG1 3.98Å; L295-I298 HydrophobicContact CG-CG1 4.32Å; I298-V324 CarbonylContact C-O 3.48Å; I298-V324 VanDerWaalsContact CA-O 3.28Å; I298-V324 WeakPolarHBondContact CA-O 3.39Å; I298-H326 HydrophobicContact CG2-CB 3.98Å
299I98.2Very high97.9Very high10 Ų1055.5 Ų55.55%0.05128%0.279CS..EExtended strand (participates in β ladder)trans-116.6116.6165.7-51.3179.9000107.6V306 Q309 A310 I313 L323 V324 V325 H326I299-V306 HydrophobicContact CB-CG1 4.24Å; I299-V306 HydrophobicContact CG2-CB 4.44Å; I299-V306 HydrophobicContact CG2-CG1 3.69Å; I299-V306 HydrophobicContact CG2-CG2 4.3Å; I299-Q309 HydrophobicContact CD1-CG 4.2Å; I299-A310 HydrophobicContact CD1-CB 4.13Å; I299-I313 HydrophobicContact CD1-CD1 3.67Å; I299-L323 HydrophobicContact CD1-CD1 4.03Å; I299-L323 HydrophobicContact CD1-CD2 4.18Å; I299-L323 HydrophobicContact CG1-CD1 4.49Å; I299-L323 HydrophobicContact CG1-CD2 4.39Å; I299-V324 PolarHBondContact N-O 2.87Å; I299-V325 VanDerWaalsContact O-CA 3.28Å; I299-V325 WeakPolarHBondContact O-CA 3.39Å; I299-H326 PolarHBondContact O-N 2.86Å
300P98.2Very high98Very high97 Ų9747 Ų4763%0.6324%0.242SC*.EExtended strand (participates in β ladder)trans-79.2146.217832-34000111.6H326P300-H326 CarbonylContact C-O 3.53Å
301G97.4Very high98Very high23 Ų2341 Ų4124%0.23722%0.216CC..  trans112.1159.7171.300000114.2V306 V325 H326G301-V306 WeakPolarHBondContact O-CG1 3.37Å; G301-V325 WeakPolarHBondContact O-CG1 3.37Å; G301-H326 PolarHBondContact N-O 3.27Å
302F97Very high98Very high10 Ų1044.4 Ų44.44%0.04423%0.232CC..  trans-123.576.3178.4-169.3-102.2000110.1R4 I6 E97 F307 F327R4-F302 HydrophobicContact CG-CE1 4.24Å; I6-F302 HydrophobicContact CD1-CD1 4.4Å; I6-F302 HydrophobicContact CD1-CE1 4.12Å; I6-F302 HydrophobicContact CD1-CZ 4.45Å; I6-F302 HydrophobicContact CG1-CD1 4.31Å; I6-F302 HydrophobicContact CG1-CD2 4.44Å; I6-F302 HydrophobicContact CG1-CE1 3.91Å; I6-F302 HydrophobicContact CG1-CE2 4.06Å; I6-F302 HydrophobicContact CG1-CZ 3.77Å; E97-F302 HydrophobicContact CG-CD1 4.02Å; E97-F302 HydrophobicContact CG-CE1 3.8Å; E97-F302 HydrophobicContact CG-CZ 4.3Å; F302-F307 AromaticContact CD2-CE2 3.67Å; F302-F307 HydrophobicContact CD2-CE2 3.67Å; F302-F307 AromaticContact CD2-CZ 3.92Å; F302-F307 HydrophobicContact CD2-CZ 3.92Å; F302-F307 AromaticContact CE2-CE2 3.8Å; F302-F307 HydrophobicContact CE2-CE2 3.8Å; F302-F307 AromaticContact CE2-CZ 3.86Å; F302-F307 HydrophobicContact CE2-CZ 3.86Å; F302-F307 HydrophobicContact CG-CE2 4.48Å; F302-F327 AromaticContact CD2-CD1 3.74Å; F302-F327 HydrophobicContact CD2-CD1 3.74Å; F302-F327 HydrophobicContact CD2-CD2 4.06Å; F302-F327 AromaticContact CD2-CE1 3.76Å; F302-F327 HydrophobicContact CD2-CE1 3.76Å; F302-F327 HydrophobicContact CD2-CE2 4.06Å; F302-F327 AromaticContact CD2-CG 3.91Å; F302-F327 HydrophobicContact CD2-CG 3.91Å; F302-F327 AromaticContact CD2-CZ 3.93Å; F302-F327 HydrophobicContact CD2-CZ 3.93Å; F302-F327 HydrophobicContact CE2-CD1 4.48Å; F302-F327 HydrophobicContact CE2-CD2 4.32Å; F302-F327 HydrophobicContact CE2-CE1 4.13Å; F302-F327 AromaticContact CE2-CE2 3.94Å; F302-F327 HydrophobicContact CE2-CE2 3.94Å; F302-F327 AromaticContact CE2-CZ 3.85Å; F302-F327 HydrophobicContact CE2-CZ 3.85Å
303T98.2Very high98Very high53 Ų5339.2 Ų39.233%0.32521%0.21SC..SBendtrans-137.9158.117882.20000111.3E305 V306 F307T303-E305 VanDerWaalsContact CB-OE2 3.24Å; T303-E305 WeakPolarHBondContact CB-OE2 3.47Å; T303-E305 PolarHBondContact O-N 3.33Å; T303-E305 PolarHBondContact OG1-N 3.15Å; T303-E305 PolarHBondContact OG1-OE2 3.42Å; T303-V306 WeakPolarHBondContact O-CB 3.5Å; T303-V306 PolarHBondContact O-N 3.34Å; T303-V306 VanDerWaalsContact O-N 3.11Å; T303-V306 PolarHBondContact OG1-N 2.96Å; T303-F307 WeakPolarHBondContact O-CD2 3.44Å; T303-F307 PolarHBondContact O-N 2.59Å
304P98.5Very high97.9Very high13 Ų1339.5 Ų39.58%0.08421%0.21CC..Hα-helixtrans-52.1-37.8174.4-30.639.1000114.9I6 N18 F20 V306 F307 Y308I6-P304 HydrophobicContact CD1-CG 4.1Å; N18-P304 PolarHBondContact ND2-O 3.39Å; F20-P304 HydrophobicContact CB-CB 3.81Å; F20-P304 VanDerWaalsContact O-CB 3.25Å; F20-P304 WeakPolarHBondContact O-CB 3.36Å; P304-V306 VanDerWaalsContact C-N 3.33Å; P304-V306 PolarHBondContact O-N 3.45Å; P304-F307 PolarHBondContact O-N 2.98Å; P304-Y308 WeakPolarHBondContact O-CB 3.39Å; P304-Y308 PolarHBondContact O-N 2.93Å
305E98.6Very high97.7Very high114 Ų11443 Ų4353%0.53323%0.226SC..Hα-helixtrans-65.1-38-179.9-60.869-147.800111.5T303 Y308 Q309T303-E305 VanDerWaalsContact CB-OE2 3.24Å; T303-E305 WeakPolarHBondContact CB-OE2 3.47Å; T303-E305 PolarHBondContact O-N 3.33Å; T303-E305 PolarHBondContact OG1-N 3.15Å; T303-E305 PolarHBondContact OG1-OE2 3.42Å; E305-Y308 PolarHBondContact O-N 3.43Å; E305-Q309 WeakPolarHBondContact O-CB 3.35Å; E305-Q309 PolarHBondContact O-N 3.45Å
306V98.6Very high97.3Very high15 Ų1547.4 Ų47.49%0.09125%0.246CC..Hα-helixtrans-63.8-47.21771680000110.8I299 G301 T303 P304 Q309 A310 V325I299-V306 HydrophobicContact CB-CG1 4.24Å; I299-V306 HydrophobicContact CG2-CB 4.44Å; I299-V306 HydrophobicContact CG2-CG1 3.69Å; I299-V306 HydrophobicContact CG2-CG2 4.3Å; G301-V306 WeakPolarHBondContact O-CG1 3.37Å; T303-V306 WeakPolarHBondContact O-CB 3.5Å; T303-V306 PolarHBondContact O-N 3.34Å; T303-V306 VanDerWaalsContact O-N 3.11Å; T303-V306 PolarHBondContact OG1-N 2.96Å; P304-V306 VanDerWaalsContact C-N 3.33Å; P304-V306 PolarHBondContact O-N 3.45Å; V306-Q309 PolarHBondContact O-N 3.31Å; V306-A310 WeakPolarHBondContact O-CB 3.42Å; V306-A310 PolarHBondContact O-N 3.37Å; V306-V325 HydrophobicContact CG1-CB 4.42Å; V306-V325 HydrophobicContact CG1-CG1 3.53Å; V306-V325 HydrophobicContact CG1-CG2 4Å
307F98.2Very high96.4Very high0 Ų050.2 Ų50.20%026%0.259CS..Hα-helixtrans-70.2-33.5179.2-73.5-82.9000112.4I6 F20 T42 I44 Y95 F302 T303 P304 H311 V325 F327I6-F307 HydrophobicContact CB-CD2 3.74Å; I6-F307 HydrophobicContact CB-CE2 3.96Å; I6-F307 HydrophobicContact CB-CG 4.34Å; I6-F307 HydrophobicContact CG1-CD2 3.6Å; I6-F307 HydrophobicContact CG1-CE2 3.56Å; I6-F307 HydrophobicContact CG2-CB 4.05Å; I6-F307 HydrophobicContact CG2-CD2 3.69Å; I6-F307 HydrophobicContact CG2-CE2 4.42Å; I6-F307 HydrophobicContact CG2-CG 4.02Å; F20-F307 HydrophobicContact CD2-CB 4.33Å; F20-F307 HydrophobicContact CE2-CB 4.42Å; F20-F307 HydrophobicContact CG-CB 4.48Å; T42-F307 HydrophobicContact CG2-CE1 3.87Å; T42-F307 HydrophobicContact CG2-CZ 4.25Å; I44-F307 HydrophobicContact CD1-CD1 4.09Å; I44-F307 HydrophobicContact CD1-CE1 4.17Å; Y95-F307 AromaticContact CD1-CD1 3.87Å; Y95-F307 HydrophobicContact CD1-CD1 3.87Å; Y95-F307 AromaticContact CD1-CE1 3.31Å; Y95-F307 HydrophobicContact CD1-CE1 3.31Å; Y95-F307 HydrophobicContact CD1-CZ 4.16Å; Y95-F307 AromaticContact CD2-CD1 3.37Å; Y95-F307 HydrophobicContact CD2-CD1 3.37Å; Y95-F307 AromaticContact CD2-CE1 3.63Å; Y95-F307 HydrophobicContact CD2-CE1 3.63Å; Y95-F307 HydrophobicContact CD2-CG 4.08Å; Y95-F307 HydrophobicContact CD2-CZ 4.49Å; Y95-F307 AromaticContact CE1-CD1 3.93Å; Y95-F307 HydrophobicContact CE1-CD1 3.93Å; Y95-F307 AromaticContact CE1-CE1 3.66Å; Y95-F307 HydrophobicContact CE1-CE1 3.66Å; Y95-F307 AromaticContact CE2-CD1 3.41Å; Y95-F307 HydrophobicContact CE2-CD1 3.41Å; Y95-F307 VanDerWaalsContact CE2-CD1 3.41Å; Y95-F307 AromaticContact CE2-CE1 3.93Å; Y95-F307 HydrophobicContact CE2-CE1 3.93Å; Y95-F307 HydrophobicContact CE2-CG 4.27Å; Y95-F307 AromaticContact CG-CD1 3.64Å; Y95-F307 HydrophobicContact CG-CD1 3.64Å; Y95-F307 AromaticContact CG-CE1 3.33Å; Y95-F307 HydrophobicContact CG-CE1 3.33Å; Y95-F307 HydrophobicContact CG-CZ 4.01Å; Y95-F307 AromaticContact CZ-CD1 3.72Å; Y95-F307 AromaticContact CZ-CE1 3.96Å; F302-F307 AromaticContact CD2-CE2 3.67Å; F302-F307 HydrophobicContact CD2-CE2 3.67Å; F302-F307 AromaticContact CD2-CZ 3.92Å; F302-F307 HydrophobicContact CD2-CZ 3.92Å; F302-F307 AromaticContact CE2-CE2 3.8Å; F302-F307 HydrophobicContact CE2-CE2 3.8Å; F302-F307 AromaticContact CE2-CZ 3.86Å; F302-F307 HydrophobicContact CE2-CZ 3.86Å; F302-F307 HydrophobicContact CG-CE2 4.48Å; T303-F307 WeakPolarHBondContact O-CD2 3.44Å; T303-F307 PolarHBondContact O-N 2.59Å; P304-F307 PolarHBondContact O-N 2.98Å; F307-H311 WeakPolarHBondContact O-CB 3.45Å; F307-H311 PolarHBondContact O-CD2 3.21Å; F307-H311 PolarHBondContact O-N 3.3Å; F307-V325 HydrophobicContact CE1-CB 4.43Å; F307-V325 HydrophobicContact CE1-CG1 4.38Å; F307-V325 HydrophobicContact CE1-CG2 4.35Å; F307-V325 HydrophobicContact CE2-CG1 4.39Å; F307-V325 HydrophobicContact CZ-CG1 4.06Å; F307-F327 AromaticContact CZ-CE1 3.81Å; F307-F327 HydrophobicContact CZ-CE1 3.81Å; F307-F327 HydrophobicContact CZ-CZ 4.17Å
308Y98.5Very high95.8Very high40 Ų4049.9 Ų49.916%0.15726%0.261CS..Hα-helixtrans-61.8-50.4170.8-176-103.8000111.9F12 L14 G17 N18 F20 P304 E305 A310 H311 Q312F12-Y308 HydrophobicContact CE2-CD2 4.49Å; L14-Y308 HydrophobicContact CB-CE2 4.2Å; L14-Y308 HydrophobicContact CD2-CD2 3.54Å; L14-Y308 HydrophobicContact CD2-CE2 3.32Å; L14-Y308 HydrophobicContact CD2-CG 4.5Å; L14-Y308 HydrophobicContact CG-CE2 4.36Å; L14-Y308 PolarHBondContact O-OH 2.72Å; G17-Y308 WeakPolarHBondContact O-CE2 3.45Å; N18-Y308 HydrophobicContact CB-CD1 4.15Å; N18-Y308 HydrophobicContact CB-CD2 3.6Å; N18-Y308 HydrophobicContact CB-CE1 4.42Å; N18-Y308 HydrophobicContact CB-CE2 3.9Å; N18-Y308 HydrophobicContact CB-CG 3.72Å; N18-Y308 WeakPolarHBondContact OD1-CB 3.34Å; N18-Y308 WeakPolarHBondContact OD1-CD2 3.01Å; F20-Y308 HydrophobicContact CD2-CD2 4.5Å; P304-Y308 WeakPolarHBondContact O-CB 3.39Å; P304-Y308 PolarHBondContact O-N 2.93Å; E305-Y308 PolarHBondContact O-N 3.43Å; Y308-A310 VanDerWaalsContact C-N 3.34Å; Y308-A310 PolarHBondContact O-N 3.34Å; Y308-H311 PolarHBondContact O-N 2.92Å; Y308-Q312 HydrophobicContact CD1-CG 4.36Å; Y308-Q312 HydrophobicContact CE1-CG 4.09Å; Y308-Q312 WeakPolarHBondContact O-CG 3.24Å; Y308-Q312 PolarHBondContact O-N 2.99Å
309Q97.8Very high95.5Very high88 Ų8847.9 Ų47.941%0.41125%0.25SS..Hα-helixtrans-59.3-44.9176.8-176-171.711.700111.6I299 E305 V306 H311 Q312 I313I299-Q309 HydrophobicContact CD1-CG 4.2Å; E305-Q309 WeakPolarHBondContact O-CB 3.35Å; E305-Q309 PolarHBondContact O-N 3.45Å; V306-Q309 PolarHBondContact O-N 3.31Å; Q309-H311 VanDerWaalsContact C-N 3.32Å; Q309-H311 PolarHBondContact O-N 2.84Å; Q309-Q312 WeakPolarHBondContact O-CB 2.88Å; Q309-Q312 PolarHBondContact O-N 2.69Å; Q309-I313 HydrophobicContact CG-CD1 4.07Å; Q309-I313 WeakPolarHBondContact O-CD1 3.47Å; Q309-I313 WeakPolarHBondContact O-CG1 3.32Å; Q309-I313 PolarHBondContact O-N 3.45Å; Q309-I313 VanDerWaalsContact O-N 3.08Å
310A98Very high95.3Very high0 Ų048.9 Ų48.90%026%0.255CS..Hα-helixtrans-56.4-45.8175.100000112.2I44 I299 V306 Y308 I313 I314 L323 V325I44-A310 HydrophobicContact CD1-CB 4.25Å; I44-A310 HydrophobicContact CG1-CB 3.85Å; I44-A310 HydrophobicContact CG2-CB 4.42Å; I299-A310 HydrophobicContact CD1-CB 4.13Å; V306-A310 WeakPolarHBondContact O-CB 3.42Å; V306-A310 PolarHBondContact O-N 3.37Å; Y308-A310 VanDerWaalsContact C-N 3.34Å; Y308-A310 PolarHBondContact O-N 3.34Å; A310-I313 PolarHBondContact O-N 3.3Å; A310-I314 WeakPolarHBondContact O-CG1 3.35Å; A310-I314 PolarHBondContact O-N 2.8Å; A310-I314 VanDerWaalsContact O-N 3.15Å; A310-L323 HydrophobicContact CB-CD2 3.86Å; A310-V325 HydrophobicContact CB-CG2 4.13Å
311H98.2Very high95.2Very high0 Ų044.4 Ų44.40%023%0.227CC..Hα-helixtrans-65.7-37.4177.6-84.3-125.8000112.4L14 F20 R52 Y95 F307 Y308 Q309 I313 I314 E315L14-H311 HydrophobicContact CD1-CB 4.38Å; L14-H311 HydrophobicContact CD2-CB 4.13Å; F20-H311 HydrophobicContact CE2-CB 4.5Å; F20-H311 AromaticContact CZ-CE1 3.69Å; F20-H311 AromaticContact CZ-ND1 3.81Å; F20-H311 AromaticContact CZ-NE2 3.85Å; R52-H311 PolarHBondContact NH1-ND1 3Å; Y95-H311 AromaticContact CE2-NE2 3.56Å; Y95-H311 AromaticContact CZ-NE2 3.71Å; Y95-H311 PolarHBondContact OH-NE2 3.39Å; F307-H311 WeakPolarHBondContact O-CB 3.45Å; F307-H311 PolarHBondContact O-CD2 3.21Å; F307-H311 PolarHBondContact O-N 3.3Å; Y308-H311 PolarHBondContact O-N 2.92Å; Q309-H311 VanDerWaalsContact C-N 3.32Å; Q309-H311 PolarHBondContact O-N 2.84Å; H311-I313 VanDerWaalsContact C-N 3.35Å; H311-I313 PolarHBondContact O-N 3.02Å; H311-I314 PolarHBondContact O-N 2.66Å; H311-E315 PolarHBondContact O-N 3.42Å
312Q97.6Very high95.2Very high75 Ų7543.7 Ų43.735%0.3522%0.218SC..Hα-helixtrans-57.1-48.4172.8-70.2177.1-67.200111.3L14 Y308 Q309 I314 E315 E316L14-Q312 HydrophobicContact CD1-CB 4.28Å; L14-Q312 HydrophobicContact CD1-CG 3.81Å; L14-Q312 HydrophobicContact CD2-CG 4.39Å; Y308-Q312 HydrophobicContact CD1-CG 4.36Å; Y308-Q312 HydrophobicContact CE1-CG 4.09Å; Y308-Q312 WeakPolarHBondContact O-CG 3.24Å; Y308-Q312 PolarHBondContact O-N 2.99Å; Q309-Q312 WeakPolarHBondContact O-CB 2.88Å; Q309-Q312 PolarHBondContact O-N 2.69Å; Q312-I314 VanDerWaalsContact C-N 3.31Å; Q312-I314 PolarHBondContact O-N 2.96Å; Q312-E315 PolarHBondContact O-N 3.21Å; Q312-E315 VanDerWaalsContact O-N 3.17Å; Q312-E316 WeakPolarHBondContact O-CG 3.36Å; Q312-E316 PolarHBondContact O-N 2.79Å; Q312-E316 VanDerWaalsContact O-N 3.07Å
313I96.4Very high95.2Very high13 Ų1343.2 Ų43.27%0.06722%0.216CC..Hα-helixtrans-62.5-37.7-179.9-65.2153.2000111.8K297 I299 Q309 A310 H311 M319 L323K297-I313 HydrophobicContact CD-CD1 4.24Å; K297-I313 HydrophobicContact CD-CG2 4.41Å; I299-I313 HydrophobicContact CD1-CD1 3.67Å; Q309-I313 HydrophobicContact CG-CD1 4.07Å; Q309-I313 WeakPolarHBondContact O-CD1 3.47Å; Q309-I313 WeakPolarHBondContact O-CG1 3.32Å; Q309-I313 PolarHBondContact O-N 3.45Å; Q309-I313 VanDerWaalsContact O-N 3.08Å; A310-I313 PolarHBondContact O-N 3.3Å; H311-I313 VanDerWaalsContact C-N 3.35Å; H311-I313 PolarHBondContact O-N 3.02Å; I313-M319 HydrophobicContact CG2-SD 4.03Å; I313-L323 HydrophobicContact CB-CD1 3.93Å; I313-L323 HydrophobicContact CD1-CD1 3.74Å; I313-L323 HydrophobicContact CG1-CD1 4.47Å; I313-L323 HydrophobicContact CG2-CD1 3.7Å
314I95.6Very high95.2Very high21 Ų2140.7 Ų40.711%0.10820%0.2CC..Hα-helixtrans-70.6-35177.6-63-55.9000111.8I44 P46 T49 A310 H311 Q312 D317 M319 L323I44-I314 HydrophobicContact CB-CG1 4.15Å; I44-I314 HydrophobicContact CG2-CG1 3.67Å; P46-I314 HydrophobicContact CG-CG2 4.33Å; T49-I314 HydrophobicContact CG2-CB 3.98Å; T49-I314 HydrophobicContact CG2-CG2 3.68Å; A310-I314 WeakPolarHBondContact O-CG1 3.35Å; A310-I314 PolarHBondContact O-N 2.8Å; A310-I314 VanDerWaalsContact O-N 3.15Å; H311-I314 PolarHBondContact O-N 2.66Å; Q312-I314 VanDerWaalsContact C-N 3.31Å; Q312-I314 PolarHBondContact O-N 2.96Å; I314-D317 PolarHBondContact O-N 2.75Å; I314-M319 HydrophobicContact CD1-CG 4.23Å; I314-L323 HydrophobicContact CD1-CB 4.26Å
315E95.5Very high95.2Very high73 Ų7340.1 Ų40.134%0.34120%0.196SC..Hα-helixtrans-79.5-14.3179.4-72.9-174.1-156.400114.4L14 T49 R52 Q53 H311 Q312 D317L14-E315 HydrophobicContact CD1-CB 4.17Å; L14-E315 VanDerWaalsContact CD1-CD 3.48Å; L14-E315 HydrophobicContact CD1-CG 4.15Å; L14-E315 WeakPolarHBondContact CD1-OE2 3.45Å; T49-E315 WeakPolarHBondContact CB-OE1 3.43Å; T49-E315 HydrophobicContact CG2-CG 3.95Å; R52-E315 IonicContact CZ-OE1 3.12Å; R52-E315 IonicContact NH1-OE1 2.76Å; R52-E315 PolarHBondContact NH1-OE1 3.38Å; R52-E315 IonicContact NH2-OE1 2.65Å; R52-E315 PolarHBondContact NH2-OE1 2.89Å; R52-E315 IonicContact NH2-OE2 3.69Å; Q53-E315 PolarHBondContact NE2-OE1 3.02Å; Q53-E315 VanDerWaalsContact NE2-OE1 3.15Å; H311-E315 PolarHBondContact O-N 3.42Å; Q312-E315 PolarHBondContact O-N 3.21Å; Q312-E315 VanDerWaalsContact O-N 3.17Å; E315-D317 PolarHBondContact O-N 3.17Å
316E90.3Very high95.2Very high126 Ų12637.9 Ų37.959%0.58919%0.185SC*.THydrogen-bonded Turntrans-67.4-11.9170.1-75.4169.6-176.600112.8Q312 D318Q312-E316 WeakPolarHBondContact O-CG 3.36Å; Q312-E316 PolarHBondContact O-N 2.79Å; Q312-E316 VanDerWaalsContact O-N 3.07Å; E316-D318 PolarHBondContact O-N 3Å; E316-D318 VanDerWaalsContact O-N 3.09Å
317D78.1Confident94.9Very high121 Ų12140.2 Ų40.265%0.64720%0.195SC*.THydrogen-bonded Turntrans5425.2176.2-160.637.2000114.6I314 E315I314-D317 PolarHBondContact O-N 2.75Å; E315-D317 PolarHBondContact O-N 3.17Å
318D84.8Confident94.7Very high75 Ų7542.3 Ų42.340%0.40120%0.204SC..  trans-115.45-177.895.4-35.7000112.1R175 E316 I320R175-D318 VanDerWaalsContact NH1-CB 3.35Å; R175-D318 PolarHBondContact NH1-O 2.88Å; R175-D318 IonicContact NH1-OD2 3.73Å; R175-D318 VanDerWaalsContact NH2-C 3.34Å; R175-D318 PolarHBondContact NH2-O 3.42Å; E316-D318 PolarHBondContact O-N 3Å; E316-D318 VanDerWaalsContact O-N 3.09Å; D318-I320 PolarHBondContact O-N 2.89Å
319M91.4Very high94.5Very high38 Ų3842.4 Ų42.419%0.18721%0.207CC..  trans-67.3129.9-177.2-169.661.2-167.600112T296 K297 I313 I314 K322 L323T296-M319 WeakPolarHBondContact OG1-CE 3.49Å; K297-M319 HydrophobicContact CB-CE 3.84Å; I313-M319 HydrophobicContact CG2-SD 4.03Å; I314-M319 HydrophobicContact CD1-CG 4.23Å; M319-K322 VanDerWaalsContact CE-C 3.46Å; M319-L323 HydrophobicContact CE-CB 3.96Å
320I95Very high94.4Very high31 Ų3139.8 Ų39.816%0.15920%0.196CC..  trans-104.2128.5172.1-65.6172.6000107.5E177 W181 T296 D318E177-I320 HydrophobicContact CB-CD1 3.55Å; W181-I320 HydrophobicContact CB-CG2 3.48Å; W181-I320 VanDerWaalsContact CB-CG2 3.48Å; W181-I320 VanDerWaalsContact CD1-CG2 3.46Å; W181-I320 HydrophobicContact CD2-CG2 3.5Å; W181-I320 VanDerWaalsContact CD2-CG2 3.5Å; W181-I320 HydrophobicContact CE3-CG2 4.13Å; W181-I320 HydrophobicContact CG-CG2 3.14Å; T296-I320 WeakPolarHBondContact CB-O 3.23Å; T296-I320 VanDerWaalsContact CG2-O 3.3Å; T296-I320 WeakPolarHBondContact CG2-O 3.41Å; T296-I320 PolarHBondContact OG1-O 3.4Å; D318-I320 PolarHBondContact O-N 2.89Å
321G95Very high94.1Very high4 Ų442.2 Ų42.24%0.04121%0.207CC..SBendtrans67.1-131.1-176.800000112.5A151 T294A151-G321 PolarHBondContact O-N 3.37Å; T294-G321 CarbonylContact O-C 3.47Å; T294-G321 WeakPolarHBondContact O-CA 3.48Å
322K97.3Very high93.9Very high8 Ų844.8 Ų44.84%0.03522%0.22CC..EExtended strand (participates in β ladder)trans-135.8140.3-167.9-74.5-69-65.3170.30113.7S43 I44 N45 A120 T124 T294 T296 K297 M319S43-K322 WeakPolarHBondContact OG-CE 3.37Å; S43-K322 PolarHBondContact OG-NZ 2.79Å; I44-K322 PolarHBondContact O-NZ 2.84Å; N45-K322 VanDerWaalsContact CG-NZ 3.31Å; N45-K322 PolarHBondContact OD1-NZ 2.89Å; A120-K322 HydrophobicContact CB-CB 3.89Å; A120-K322 WeakPolarHBondContact O-CE 3.23Å; A120-K322 WeakPolarHBondContact O-CG 3.46Å; T124-K322 HydrophobicContact CG2-CD 3.94Å; T294-K322 PolarHBondContact O-N 2.9Å; T294-K322 WeakPolarHBondContact OG1-CG 3.33Å; T296-K322 PolarHBondContact N-O 2.71Å; T296-K322 PolarHBondContact OG1-N 2.81Å; T296-K322 PolarHBondContact OG1-O 3.44Å; K297-K322 PolarHBondContact N-O 3.17Å; M319-K322 VanDerWaalsContact CE-C 3.46Å
323L97.9Very high93.6Very high0 Ų042.8 Ų42.80%021%0.211CC..EExtended strand (participates in β ladder)trans-97.9132.7173.3-170.3150.9000109.6S43 I44 K297 I299 A310 I313 I314 M319 V325S43-L323 WeakPolarHBondContact CA-O 3.39Å; I44-L323 HydrophobicContact CB-CD2 4.09Å; I44-L323 HydrophobicContact CG1-CD2 3.5Å; I44-L323 VanDerWaalsContact CG1-CD2 3.5Å; I44-L323 PolarHBondContact N-O 3.13Å; K297-L323 HydrophobicContact CB-CD1 4.48Å; K297-L323 HydrophobicContact CB-CG 4.3Å; K297-L323 HydrophobicContact CD-CD1 4.04Å; K297-L323 HydrophobicContact CG-CD1 4.37Å; K297-L323 WeakPolarHBondContact O-CA 3.39Å; I299-L323 HydrophobicContact CD1-CD1 4.03Å; I299-L323 HydrophobicContact CD1-CD2 4.18Å; I299-L323 HydrophobicContact CG1-CD1 4.49Å; I299-L323 HydrophobicContact CG1-CD2 4.39Å; A310-L323 HydrophobicContact CB-CD2 3.86Å; I313-L323 HydrophobicContact CB-CD1 3.93Å; I313-L323 HydrophobicContact CD1-CD1 3.74Å; I313-L323 HydrophobicContact CG1-CD1 4.47Å; I313-L323 HydrophobicContact CG2-CD1 3.7Å; I314-L323 HydrophobicContact CD1-CB 4.26Å; M319-L323 HydrophobicContact CE-CB 3.96Å; L323-V325 HydrophobicContact CD2-CG2 4.19Å
324V98.3Very high93.4Very high0 Ų044.9 Ų44.90%022%0.222CC..EExtended strand (participates in β ladder)trans-119.7140173.4167.10000110.2A41 T42 D116 A119 A120 L295 K297 I298 I299A41-V324 HydrophobicContact CB-CG1 3.86Å; T42-V324 CarbonylContact O-C 3.47Å; T42-V324 WeakPolarHBondContact O-CA 3.35Å; D116-V324 HydrophobicContact CB-CG1 4.25Å; A119-V324 HydrophobicContact CB-CG1 4.34Å; A119-V324 HydrophobicContact CB-CG2 4.31Å; A120-V324 HydrophobicContact CB-CG2 3.74Å; L295-V324 HydrophobicContact CD1-CB 3.72Å; L295-V324 HydrophobicContact CD1-CG2 3.65Å; K297-V324 PolarHBondContact O-N 3.17Å; I298-V324 CarbonylContact C-O 3.48Å; I298-V324 VanDerWaalsContact CA-O 3.28Å; I298-V324 WeakPolarHBondContact CA-O 3.39Å; I299-V324 PolarHBondContact N-O 2.87Å
325V98.5Very high93.3Very high0 Ų046.8 Ų46.80%023%0.23CC..EExtended strand (participates in β ladder)trans-98.6121.2164.7177.40000107.6A41 T42 I44 I299 G301 V306 F307 A310 L323 F327A41-V325 VanDerWaalsContact CA-O 3.26Å; A41-V325 WeakPolarHBondContact CA-O 3.32Å; T42-V325 HydrophobicContact CG2-CB 4.1Å; T42-V325 PolarHBondContact N-O 3.47Å; T42-V325 PolarHBondContact O-N 3.3Å; I44-V325 HydrophobicContact CD1-CG2 3.86Å; I44-V325 HydrophobicContact CG1-CG2 4Å; I299-V325 VanDerWaalsContact O-CA 3.28Å; I299-V325 WeakPolarHBondContact O-CA 3.39Å; G301-V325 WeakPolarHBondContact O-CG1 3.37Å; V306-V325 HydrophobicContact CG1-CB 4.42Å; V306-V325 HydrophobicContact CG1-CG1 3.53Å; V306-V325 HydrophobicContact CG1-CG2 4Å; F307-V325 HydrophobicContact CE1-CB 4.43Å; F307-V325 HydrophobicContact CE1-CG1 4.38Å; F307-V325 HydrophobicContact CE1-CG2 4.35Å; F307-V325 HydrophobicContact CE2-CG1 4.39Å; F307-V325 HydrophobicContact CZ-CG1 4.06Å; A310-V325 HydrophobicContact CB-CG2 4.13Å; L323-V325 HydrophobicContact CD2-CG2 4.19Å; V325-F327 HydrophobicContact CB-CE1 4.29Å; V325-F327 HydrophobicContact CG1-CD1 4.02Å; V325-F327 HydrophobicContact CG1-CE1 3.89Å
326H98Very high93.1Very high67 Ų6744.6 Ų44.631%0.3122%0.221SC..EExtended strand (participates in β ladder)trans-94.5128.8175.4-177.694.5000109D116 I298 I299 P300 G301D116-H326 IonicContact OD1-CE1 3.86Å; D116-H326 IonicContact OD1-CG 2.97Å; D116-H326 IonicContact OD1-ND1 3.25Å; D116-H326 PolarHBondContact OD1-ND1 2.7Å; D116-H326 IonicContact OD2-ND1 3.37Å; D116-H326 PolarHBondContact OD2-ND1 2.92Å; I298-H326 HydrophobicContact CG2-CB 3.98Å; I299-H326 PolarHBondContact O-N 2.86Å; P300-H326 CarbonylContact C-O 3.53Å; G301-H326 PolarHBondContact N-O 3.27Å
327F92.5Very high93.3Very high65 Ų6537.2 Ų37.229%0.28519%0.188SC..  trans-82.90-170.9-65-2.7000112.9N39 M40 T42 S94 S96 F302 F307 V325N39-F327 HydrophobicContact CB-CD2 3.75Å; N39-F327 HydrophobicContact CB-CE2 3.45Å; N39-F327 VanDerWaalsContact CB-CE2 3.45Å; M40-F327 WeakPolarHBondContact O-CB 3.5Å; M40-F327 PolarHBondContact O-N 3Å; T42-F327 HydrophobicContact CG2-CE1 3.54Å; T42-F327 HydrophobicContact CG2-CZ 3.55Å; S94-F327 WeakPolarHBondContact O-CE2 3.46Å; S94-F327 WeakPolarHBondContact O-CZ 3.25Å; S96-F327 WeakPolarHBondContact O-CE2 3.29Å; F302-F327 AromaticContact CD2-CD1 3.74Å; F302-F327 HydrophobicContact CD2-CD1 3.74Å; F302-F327 HydrophobicContact CD2-CD2 4.06Å; F302-F327 AromaticContact CD2-CE1 3.76Å; F302-F327 HydrophobicContact CD2-CE1 3.76Å; F302-F327 HydrophobicContact CD2-CE2 4.06Å; F302-F327 AromaticContact CD2-CG 3.91Å; F302-F327 HydrophobicContact CD2-CG 3.91Å; F302-F327 AromaticContact CD2-CZ 3.93Å; F302-F327 HydrophobicContact CD2-CZ 3.93Å; F302-F327 HydrophobicContact CE2-CD1 4.48Å; F302-F327 HydrophobicContact CE2-CD2 4.32Å; F302-F327 HydrophobicContact CE2-CE1 4.13Å; F302-F327 AromaticContact CE2-CE2 3.94Å; F302-F327 HydrophobicContact CE2-CE2 3.94Å; F302-F327 AromaticContact CE2-CZ 3.85Å; F302-F327 HydrophobicContact CE2-CZ 3.85Å; F307-F327 AromaticContact CZ-CE1 3.81Å; F307-F327 HydrophobicContact CZ-CE1 3.81Å; F307-F327 HydrophobicContact CZ-CZ 4.17Å; V325-F327 HydrophobicContact CB-CE1 4.29Å; V325-F327 HydrophobicContact CG1-CD1 4.02Å; V325-F327 HydrophobicContact CG1-CE1 3.89Å

Retrieved 327 of 327 residues in 280.5 ms (Link to these results)

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