A0A024R3B0_HUMAN Loading...

Chromosome 11 open reading frame 54, isoform CRA_b

AlphaFold DB , UniProt , Accession A0A024R3B0, Species HUMAN (Homo sapiens, Human), Gene C11orf54, Length 265 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
1M65.9Low91.5Very high111 Ų11174.4 Ų74.455%0.54743%0.425SS..  0-156.20-80.5144.4-74.700108.6Y78 E86 I253 D254M1-Y78 HydrophobicContact CE-CD1 4.43Å; M1-Y78 HydrophobicContact SD-CD1 3.82Å; M1-Y78 HydrophobicContact SD-CE1 3.78Å; M1-E86 WeakPolarHBondContact CA-OE1 3.41Å; M1-E86 WeakPolarHBondContact CE-OE2 3.48Å; M1-E86 PolarHBondContact N-OE1 3.2Å; M1-E86 PolarHBondContact N-OE2 2.99Å; M1-I253 HydrophobicContact CB-CG2 4.12Å; M1-I253 HydrophobicContact CE-CG2 4.19Å; M1-I253 HydrophobicContact SD-CG2 4.36Å; M1-D254 HydrophobicContact CB-CB 4.11Å; M1-D254 HydrophobicContact CG-CB 4.43Å; M1-D254 HydrophobicContact SD-CB 4.26Å
2A86.3Confident91.4Very high78 Ų7872.6 Ų72.665%0.64542%0.42SS*.  trans-74.9127.6159.400000107.4I253 D254A2-I253 WeakPolarHBondContact O-CA 3.49Å; A2-D254 PolarHBondContact O-N 3.36Å
3C95.6Very high90.9Very high56 Ų5669.8 Ų69.838%0.37840%0.403SS..EExtended strand (participates in β ladder)trans-134.9128.3-178.8-1770000109.2E86 R252 I253C3-E86 HydrophobicContact CB-CG 4.05Å; C3-E86 WeakPolarHBondContact CB-OE1 3.39Å; C3-R252 VanDerWaalsContact CA-O 3.32Å; C3-R252 WeakPolarHBondContact CA-O 3.35Å; C3-I253 HydrophobicContact CB-CG1 4.29Å
4A97.8Very high90.7Very high39 Ų3973.8 Ų73.832%0.32242%0.416SS..EExtended strand (participates in β ladder)trans-115143.3172.700000110.2F210 Y251 R252A4-F210 HydrophobicContact CB-CD1 4.43Å; A4-F210 HydrophobicContact CB-CE1 3.8Å; A4-Y251 CarbonylContact O-C 3.57Å; A4-Y251 WeakPolarHBondContact O-CA 3.42Å; A4-R252 HydrophobicContact CB-CB 4.46Å; A4-R252 PolarHBondContact N-O 3.02Å; A4-R252 PolarHBondContact O-N 3.21Å
5E98.3Very high90.6Very high87 Ų8775.9 Ų75.941%0.40742%0.421SS..EExtended strand (participates in β ladder)trans-113.3135.6-179.3178.6172.378.200109.6K88 F249 L250 Y251E5-K88 IonicContact OE1-NZ 2.7Å; E5-K88 PolarHBondContact OE1-NZ 3.06Å; E5-K88 WeakPolarHBondContact OE2-CD 3.4Å; E5-K88 WeakPolarHBondContact OE2-CE 3.48Å; E5-K88 IonicContact OE2-NZ 3.99Å; E5-K88 PolarHBondContact OE2-NZ 3.3Å; E5-F249 HydrophobicContact CG-CD1 4.17Å; E5-L250 WeakPolarHBondContact CA-O 3.4Å; E5-Y251 HydrophobicContact CB-CD1 4.39Å; E5-Y251 HydrophobicContact CB-CE1 4.14Å; E5-Y251 HydrophobicContact CG-CE1 3.97Å; E5-Y251 WeakPolarHBondContact OE2-CE1 3.5Å; E5-Y251 PolarHBondContact OE2-OH 3.45Å
6F98.3Very high90.2Very high72 Ų7273.5 Ų73.532%0.31641%0.407SS..EExtended strand (participates in β ladder)trans-136.5133.4176172.6-91.4000109.7F8 P208 F210 F249 L250F6-F8 HydrophobicContact CD1-CD1 4.19Å; F6-F8 HydrophobicContact CD1-CE1 4.33Å; F6-F8 AromaticContact CE1-CD1 3.83Å; F6-F8 HydrophobicContact CE1-CD1 3.83Å; F6-F8 HydrophobicContact CE1-CE1 4.17Å; F6-P208 HydrophobicContact CD1-CG 3.89Å; F6-P208 HydrophobicContact CD2-CB 4.15Å; F6-P208 HydrophobicContact CD2-CG 4.33Å; F6-P208 HydrophobicContact CE1-CB 4.16Å; F6-P208 HydrophobicContact CE1-CG 3.49Å; F6-P208 VanDerWaalsContact CE1-CG 3.49Å; F6-P208 HydrophobicContact CE2-CB 3.68Å; F6-P208 HydrophobicContact CE2-CG 3.97Å; F6-P208 HydrophobicContact CG-CG 4.3Å; F6-P208 HydrophobicContact CZ-CB 3.69Å; F6-P208 HydrophobicContact CZ-CG 3.54Å; F6-F210 HydrophobicContact CB-CD2 4.49Å; F6-F210 HydrophobicContact CB-CE2 3.6Å; F6-F210 HydrophobicContact CB-CZ 3.85Å; F6-F210 AromaticContact CD2-CE2 3.74Å; F6-F210 HydrophobicContact CD2-CE2 3.74Å; F6-F210 HydrophobicContact CD2-CZ 4.33Å; F6-F210 AromaticContact CG-CE2 3.76Å; F6-F210 HydrophobicContact CG-CE2 3.76Å; F6-F210 HydrophobicContact CG-CZ 4.4Å; F6-F249 CarbonylContact O-C 3.46Å; F6-F249 WeakPolarHBondContact O-CA 3.29Å; F6-L250 HydrophobicContact CB-CB 4.23Å; F6-L250 HydrophobicContact CB-CD2 4.37Å; F6-L250 HydrophobicContact CD1-CB 4.31Å; F6-L250 HydrophobicContact CD1-CD2 4.4Å; F6-L250 PolarHBondContact N-O 2.85Å; F6-L250 PolarHBondContact O-N 3.36Å
7S97.9Very high89.8Confident77 Ų7769.6 Ų69.654%0.53839%0.386SS..EExtended strand (participates in β ladder)trans-88.1126.5177-53.30000110.4
8F94.6Very high89.3Confident45 Ų4568 Ų6820%0.19739%0.388CS..PPolyproline II helixtrans-77.5162174.8-76.9-61000112.2F6 I59 V204 A247 E248 L250F6-F8 HydrophobicContact CD1-CD1 4.19Å; F6-F8 HydrophobicContact CD1-CE1 4.33Å; F6-F8 AromaticContact CE1-CD1 3.83Å; F6-F8 HydrophobicContact CE1-CD1 3.83Å; F6-F8 HydrophobicContact CE1-CE1 4.17Å; F8-I59 HydrophobicContact CE2-CB 4.42Å; F8-I59 HydrophobicContact CE2-CD1 4.2Å; F8-I59 HydrophobicContact CZ-CD1 4.46Å; F8-V204 HydrophobicContact CE1-CG1 3.73Å; F8-V204 HydrophobicContact CZ-CG1 3.91Å; F8-V204 HydrophobicContact CZ-CG2 4.09Å; F8-A247 WeakPolarHBondContact CB-O 2.9Å; F8-A247 HydrophobicContact CD2-CB 3.85Å; F8-A247 WeakPolarHBondContact CD2-O 3.23Å; F8-A247 HydrophobicContact CE2-CB 3.98Å; F8-E248 PolarHBondContact N-O 3.46Å; F8-L250 HydrophobicContact CD2-CB 4.39Å; F8-L250 HydrophobicContact CE1-CB 4.47Å; F8-L250 HydrophobicContact CE2-CB 3.64Å; F8-L250 HydrophobicContact CZ-CB 3.69Å; F8-L250 HydrophobicContact CZ-CD2 4.42Å; F8-L250 HydrophobicContact CZ-CG 4.48Å
9H93.4Very high89.2Confident155 Ų15569.5 Ų69.572%0.71840%0.399SS*.PPolyproline II helixtrans-76118.9160.6178.8-91.2000109.1P11H9-P11 WeakPolarHBondContact O-CD 3.21Å
10V92.9Very high88.9Confident73 Ų7368.2 Ų68.244%0.44239%0.389SS..  trans-107.798.8178.5-174.70000108.9P246V10-P246 HydrophobicContact CG1-CB 4.32Å; V10-P246 HydrophobicContact CG1-CG 3.96Å
11P85.3Confident88.7Confident25 Ų2567.8 Ų67.816%0.16238%0.384CS..  trans-70.7173.4171.332.8-35.7000110.8H9 E15 L16H9-P11 WeakPolarHBondContact O-CD 3.21Å; P11-E15 HydrophobicContact CB-CB 4.23Å; P11-E15 VanDerWaalsContact CB-CD 3.45Å; P11-E15 HydrophobicContact CB-CG 4.13Å; P11-E15 WeakPolarHBondContact CB-OE2 3.42Å; P11-L16 HydrophobicContact CG-CB 4.21Å
12S90.5Very high89.7Confident53 Ų5369.7 Ų69.737%0.37139%0.389SS..  trans-66.2156.1168.3109.40000110.6E14 E15 L16S12-E14 VanDerWaalsContact CB-OE2 3.3Å; S12-E14 WeakPolarHBondContact CB-OE2 3.46Å; S12-E14 PolarHBondContact O-N 2.98Å; S12-E14 PolarHBondContact OG-N 2.94Å; S12-E14 PolarHBondContact OG-OE2 3.32Å; S12-E15 PolarHBondContact O-N 3.26Å; S12-E15 PolarHBondContact OG-N 3.36Å; S12-E15 VanDerWaalsContact OG-N 3.12Å; S12-L16 WeakPolarHBondContact O-CB 3.46Å; S12-L16 PolarHBondContact O-N 3.44Å
13L85.1Confident89.6Confident37 Ų3767.5 Ų67.519%0.19438%0.375CS..Hα-helixtrans-65.7-32.2178-64.1174.2000111.4A17 V35 K169 L245 P246L13-A17 WeakPolarHBondContact O-CB 3.38Å; L13-A17 PolarHBondContact O-N 2.99Å; L13-V35 HydrophobicContact CB-CG1 3.87Å; L13-V35 HydrophobicContact CB-CG2 3.79Å; L13-V35 HydrophobicContact CD1-CG1 4.01Å; L13-V35 WeakPolarHBondContact O-CG2 3.12Å; L13-K169 HydrophobicContact CD1-CB 4.26Å; L13-K169 WeakPolarHBondContact CD1-O 3.45Å; L13-L245 HydrophobicContact CD2-CD2 3.96Å; L13-P246 HydrophobicContact CD2-CG 4.24Å
14E88.3Confident88.9Confident125 Ų12566.6 Ų66.658%0.58437%0.366SS*.Hα-helixtrans-69.8-38.6175.8-54.374.4-164.500111.7S12 G18 V35S12-E14 VanDerWaalsContact CB-OE2 3.3Å; S12-E14 WeakPolarHBondContact CB-OE2 3.46Å; S12-E14 PolarHBondContact O-N 2.98Å; S12-E14 PolarHBondContact OG-N 2.94Å; S12-E14 PolarHBondContact OG-OE2 3.32Å; E14-G18 PolarHBondContact O-N 3.28Å; E14-V35 HydrophobicContact CG-CG2 4.32Å
15E89.3Confident88.4Confident106 Ų10670 Ų7050%0.49537%0.373SS..Hα-helixtrans-65.3-49.4172.2-176.7-170.1151.900110.9P11 S12 A17 G18 V19P11-E15 HydrophobicContact CB-CB 4.23Å; P11-E15 VanDerWaalsContact CB-CD 3.45Å; P11-E15 HydrophobicContact CB-CG 4.13Å; P11-E15 WeakPolarHBondContact CB-OE2 3.42Å; S12-E15 PolarHBondContact O-N 3.26Å; S12-E15 PolarHBondContact OG-N 3.36Å; S12-E15 VanDerWaalsContact OG-N 3.12Å; E15-A17 VanDerWaalsContact C-N 3.35Å; E15-A17 PolarHBondContact O-N 3.19Å; E15-G18 PolarHBondContact O-N 3.14Å; E15-V19 WeakPolarHBondContact O-CG2 2.95Å; E15-V19 PolarHBondContact O-N 3.31Å
16L84.4Confident87.9Confident37 Ų3772 Ų7219%0.19439%0.386CS..Hα-helixtrans-58.9-46.1177.4-177.162.4000111.4P11 S12 G18 V19 M20 P246P11-L16 HydrophobicContact CG-CB 4.21Å; S12-L16 WeakPolarHBondContact O-CB 3.46Å; S12-L16 PolarHBondContact O-N 3.44Å; L16-G18 PolarHBondContact O-N 3.38Å; L16-V19 PolarHBondContact O-N 2.89Å; L16-M20 HydrophobicContact CD1-CG 4.14Å; L16-M20 HydrophobicContact CD1-SD 3.68Å; L16-M20 HydrophobicContact CG-SD 3.87Å; L16-M20 WeakPolarHBondContact O-CB 3.3Å; L16-M20 WeakPolarHBondContact O-CG 3.34Å; L16-M20 PolarHBondContact O-N 2.93Å; L16-P246 HydrophobicContact CD2-CB 4.41Å; L16-P246 HydrophobicContact CD2-CG 4.28Å
17A83Confident87.2Confident7 Ų772.8 Ų72.86%0.05839%0.394CS..Hα-helixtrans-58.1-46.6174.800000111.7L13 E15 Q21 V33 V35L13-A17 WeakPolarHBondContact O-CB 3.38Å; L13-A17 PolarHBondContact O-N 2.99Å; E15-A17 VanDerWaalsContact C-N 3.35Å; E15-A17 PolarHBondContact O-N 3.19Å; A17-Q21 WeakPolarHBondContact O-CB 3.16Å; A17-Q21 PolarHBondContact O-N 2.92Å; A17-V33 HydrophobicContact CB-CG1 3.72Å; A17-V33 WeakPolarHBondContact O-CG1 3.43Å; A17-V35 HydrophobicContact CB-CG2 4.03Å
18G80.2Confident86.4Confident41 Ų4170.6 Ų70.642%0.42338%0.375SS..Hα-helixtrans-62.5-42.2177.800000113.6E14 E15 L16 K22E14-G18 PolarHBondContact O-N 3.28Å; E15-G18 PolarHBondContact O-N 3.14Å; L16-G18 PolarHBondContact O-N 3.38Å; G18-K22 PolarHBondContact O-N 3.49Å
19V88.4Confident86Confident96 Ų9674.1 Ų74.158%0.58241%0.412SS*.Hα-helixtrans-66.9-49.6178.2170.30000111.3E15 L16 K22 G23E15-V19 WeakPolarHBondContact O-CG2 2.95Å; E15-V19 PolarHBondContact O-N 3.31Å; L16-V19 PolarHBondContact O-N 2.89Å; V19-K22 WeakPolarHBondContact O-CB 3.26Å; V19-K22 PolarHBondContact O-N 3.18Å; V19-G23 PolarHBondContact O-N 2.97Å
20M82.8Confident85.7Confident44 Ų4473.1 Ų73.122%0.21741%0.412CS..Hα-helixtrans-69-40.3-178.3-70.2178.672.600111.6L16 K22 G23 L24 F173 F203L16-M20 HydrophobicContact CD1-CG 4.14Å; L16-M20 HydrophobicContact CD1-SD 3.68Å; L16-M20 HydrophobicContact CG-SD 3.87Å; L16-M20 WeakPolarHBondContact O-CB 3.3Å; L16-M20 WeakPolarHBondContact O-CG 3.34Å; L16-M20 PolarHBondContact O-N 2.93Å; M20-K22 PolarHBondContact O-N 3.36Å; M20-K22 VanDerWaalsContact O-N 3.14Å; M20-G23 PolarHBondContact O-N 3.45Å; M20-L24 VanDerWaalsContact O-CG 3.23Å; M20-L24 WeakPolarHBondContact O-CG 2.92Å; M20-L24 PolarHBondContact O-N 2.86Å; M20-F173 HydrophobicContact CB-CD1 4.33Å; M20-F173 HydrophobicContact CB-CE1 3.49Å; M20-F173 VanDerWaalsContact CB-CE1 3.49Å; M20-F173 HydrophobicContact CB-CZ 4.25Å; M20-F173 HydrophobicContact CE-CD1 4.03Å; M20-F173 HydrophobicContact CE-CE1 3.45Å; M20-F173 VanDerWaalsContact CE-CE1 3.45Å; M20-F173 HydrophobicContact CE-CE2 4.13Å; M20-F173 HydrophobicContact CE-CZ 3.49Å; M20-F173 VanDerWaalsContact CE-CZ 3.49Å; M20-F173 HydrophobicContact CG-CE1 4.17Å; M20-F173 HydrophobicContact SD-CE1 3.68Å; M20-F173 HydrophobicContact SD-CZ 3.51Å; M20-F173 VanDerWaalsContact SD-CZ 3.51Å; M20-F203 HydrophobicContact CE-CZ 4.43Å
21Q85Confident85.1Confident60 Ų6069.8 Ų69.828%0.2839%0.392SS..Hα-helixtrans-55.1-36.3174.7-167161-141.500112.7A17 K25 V31 V33A17-Q21 WeakPolarHBondContact O-CB 3.16Å; A17-Q21 PolarHBondContact O-N 2.92Å; Q21-K25 HydrophobicContact CG-CD 4.33Å; Q21-K25 VanDerWaalsContact O-CG 3.29Å; Q21-K25 WeakPolarHBondContact O-CG 3.41Å; Q21-K25 PolarHBondContact O-N 3.12Å; Q21-V31 HydrophobicContact CG-CG1 4.24Å; Q21-V33 HydrophobicContact CB-CB 3.78Å; Q21-V33 HydrophobicContact CB-CG2 3.81Å; Q21-V33 HydrophobicContact CG-CB 4.1Å; Q21-V33 HydrophobicContact CG-CG2 4.08Å
22K85.8Confident85.1Confident151 Ų15174.3 Ų74.366%0.65741%0.411SS*.Hα-helixtrans-67.9-53.3178.5-172.6-173173.1-168.40111G18 V19 M20 L24 K25 D26G18-K22 PolarHBondContact O-N 3.49Å; V19-K22 WeakPolarHBondContact O-CB 3.26Å; V19-K22 PolarHBondContact O-N 3.18Å; M20-K22 PolarHBondContact O-N 3.36Å; M20-K22 VanDerWaalsContact O-N 3.14Å; K22-L24 PolarHBondContact O-N 2.93Å; K22-K25 PolarHBondContact O-N 3.28Å; K22-D26 PolarHBondContact O-N 3.39Å
23G83.9Confident84.7Confident32 Ų3272.3 Ų72.333%0.3340%0.396SS..Hα-helixtrans-66.3-34.5-176.300000113.9V19 M20 D26 N27V19-G23 PolarHBondContact O-N 2.97Å; M20-G23 PolarHBondContact O-N 3.45Å; G23-D26 PolarHBondContact O-N 2.59Å; G23-N27 PolarHBondContact O-ND2 2.79Å
24L82.9Confident84.3Confident37 Ų3772.2 Ų72.219%0.19440%0.399CS..Hα-helixtrans-69.5-34.2176.9-59.2172.7000111.3M20 K22 D26 N27 F28 V31 V33 F173M20-L24 VanDerWaalsContact O-CG 3.23Å; M20-L24 WeakPolarHBondContact O-CG 2.92Å; M20-L24 PolarHBondContact O-N 2.86Å; K22-L24 PolarHBondContact O-N 2.93Å; L24-D26 PolarHBondContact O-N 3.19Å; L24-N27 PolarHBondContact O-N 3.41Å; L24-F28 HydrophobicContact CB-CD1 3.75Å; L24-F28 HydrophobicContact CB-CE1 3.57Å; L24-F28 HydrophobicContact CB-CG 4.49Å; L24-F28 HydrophobicContact CB-CZ 4.15Å; L24-F28 HydrophobicContact CD1-CE1 4.22Å; L24-F28 HydrophobicContact CD2-CD1 4.4Å; L24-F28 HydrophobicContact CD2-CE1 3.36Å; L24-F28 HydrophobicContact CD2-CE2 4.44Å; L24-F28 HydrophobicContact CD2-CZ 3.36Å; L24-F28 HydrophobicContact CG-CD1 4.49Å; L24-F28 HydrophobicContact CG-CE1 3.83Å; L24-F28 HydrophobicContact CG-CZ 4.25Å; L24-F28 WeakPolarHBondContact O-CB 3.01Å; L24-F28 VanDerWaalsContact O-CG 3.26Å; L24-F28 WeakPolarHBondContact O-CG 3.23Å; L24-F28 PolarHBondContact O-N 2.98Å; L24-V31 HydrophobicContact CB-CG1 3.95Å; L24-V31 HydrophobicContact CB-CG2 4.14Å; L24-V33 HydrophobicContact CD1-CG2 4.22Å; L24-F173 HydrophobicContact CD1-CB 4.38Å; L24-F173 HydrophobicContact CD1-CD1 3.51Å; L24-F173 HydrophobicContact CD1-CE1 4.3Å; L24-F173 HydrophobicContact CD1-CG 4.34Å
25K85.8Confident84.3Confident110 Ų11068 Ų6848%0.47838%0.381SS..Hα-helixtrans-68.4-16.6174.5-76.9-177.8180-176.10114.9Q21 K22 V31Q21-K25 HydrophobicContact CG-CD 4.33Å; Q21-K25 VanDerWaalsContact O-CG 3.29Å; Q21-K25 WeakPolarHBondContact O-CG 3.41Å; Q21-K25 PolarHBondContact O-N 3.12Å; K22-K25 PolarHBondContact O-N 3.28Å; K25-V31 HydrophobicContact CD-CB 4.34Å; K25-V31 WeakPolarHBondContact CE-O 3.27Å; K25-V31 HydrophobicContact CG-CB 3.63Å; K25-V31 HydrophobicContact CG-CG1 4.13Å; K25-V31 HydrophobicContact CG-CG2 3.82Å; K25-V31 PolarHBondContact NZ-O 3.23Å
26D88.4Confident84Confident128 Ų12864.6 Ų64.668%0.68437%0.368SS*.THydrogen-bonded Turntrans-78.2-9.2172.2-64.2-37.3000112.1K22 G23 L24K22-D26 PolarHBondContact O-N 3.39Å; G23-D26 PolarHBondContact O-N 2.59Å; L24-D26 PolarHBondContact O-N 3.19Å
27N83.6Confident84.2Confident90 Ų9068.2 Ų68.248%0.48139%0.388SS..THydrogen-bonded Turntrans-121.7-37.3-177.4-65-96.2000112.5G23 L24G23-N27 PolarHBondContact O-ND2 2.79Å; L24-N27 PolarHBondContact O-N 3.41Å
28F80.8Confident84.5Confident31 Ų3168.7 Ų68.714%0.13639%0.39CS..  trans-112.2147.4-163.9-46.1168.2000111.8L24 V31 S174 S175 C176L24-F28 HydrophobicContact CB-CD1 3.75Å; L24-F28 HydrophobicContact CB-CE1 3.57Å; L24-F28 HydrophobicContact CB-CG 4.49Å; L24-F28 HydrophobicContact CB-CZ 4.15Å; L24-F28 HydrophobicContact CD1-CE1 4.22Å; L24-F28 HydrophobicContact CD2-CD1 4.4Å; L24-F28 HydrophobicContact CD2-CE1 3.36Å; L24-F28 HydrophobicContact CD2-CE2 4.44Å; L24-F28 HydrophobicContact CD2-CZ 3.36Å; L24-F28 HydrophobicContact CG-CD1 4.49Å; L24-F28 HydrophobicContact CG-CE1 3.83Å; L24-F28 HydrophobicContact CG-CZ 4.25Å; L24-F28 WeakPolarHBondContact O-CB 3.01Å; L24-F28 VanDerWaalsContact O-CG 3.26Å; L24-F28 WeakPolarHBondContact O-CG 3.23Å; L24-F28 PolarHBondContact O-N 2.98Å; F28-V31 HydrophobicContact CB-CG2 3.59Å; F28-V31 HydrophobicContact CD1-CG2 3.84Å; F28-V31 HydrophobicContact CG-CG2 4.15Å; F28-S174 VanDerWaalsContact CD1-O 3.28Å; F28-S174 WeakPolarHBondContact CD1-O 3.43Å; F28-S174 WeakPolarHBondContact CE1-O 3.42Å; F28-S175 VanDerWaalsContact CB-O 3.27Å; F28-S175 WeakPolarHBondContact CB-O 3.28Å; F28-S175 VanDerWaalsContact CD1-CA 3.42Å; F28-S175 WeakPolarHBondContact CD1-O 3.48Å; F28-S175 VanDerWaalsContact CE1-CA 3.48Å; F28-S175 WeakPolarHBondContact CG-O 3.19Å; F28-C176 WeakPolarHBondContact CD2-O 3.37Å; F28-C176 WeakPolarHBondContact CE2-O 3.33Å
29A87.3Confident85Confident118 Ų11869 Ų6998%0.97539%0.385SS*.SBendtrans-74.2-37.7-175.400000114.6
30D86.3Confident85.5Confident134 Ų13466.7 Ų66.772%0.71737%0.369SS*.SBendtrans-130.4137.3171.5-169.216.2000110.6
31V80.7Confident86.1Confident3 Ų364.9 Ų64.92%0.01836%0.36CS..  trans-151.4113.9-174.7179.80000109.6Q21 L24 K25 F28 V33Q21-V31 HydrophobicContact CG-CG1 4.24Å; L24-V31 HydrophobicContact CB-CG1 3.95Å; L24-V31 HydrophobicContact CB-CG2 4.14Å; K25-V31 HydrophobicContact CD-CB 4.34Å; K25-V31 WeakPolarHBondContact CE-O 3.27Å; K25-V31 HydrophobicContact CG-CB 3.63Å; K25-V31 HydrophobicContact CG-CG1 4.13Å; K25-V31 HydrophobicContact CG-CG2 3.82Å; K25-V31 PolarHBondContact NZ-O 3.23Å; F28-V31 HydrophobicContact CB-CG2 3.59Å; F28-V31 HydrophobicContact CD1-CG2 3.84Å; F28-V31 HydrophobicContact CG-CG2 4.15Å; V31-V33 HydrophobicContact CG1-CG2 3.89Å
32Q84.6Confident86.8Confident121 Ų12164.1 Ų64.157%0.56536%0.36SS*.  trans-102.8136.3157.4177.3171.7-65.900108.9E172Q32-E172 PolarHBondContact NE2-OE2 2.85Å
33V82.9Confident87.3Confident10 Ų1062.4 Ų62.46%0.06135%0.352CS..  trans-134.7126.6164178.70000108.8A17 Q21 L24 V31 E172 F173A17-V33 HydrophobicContact CB-CG1 3.72Å; A17-V33 WeakPolarHBondContact O-CG1 3.43Å; Q21-V33 HydrophobicContact CB-CB 3.78Å; Q21-V33 HydrophobicContact CB-CG2 3.81Å; Q21-V33 HydrophobicContact CG-CB 4.1Å; Q21-V33 HydrophobicContact CG-CG2 4.08Å; L24-V33 HydrophobicContact CD1-CG2 4.22Å; V31-V33 HydrophobicContact CG1-CG2 3.89Å; V33-E172 VanDerWaalsContact CA-O 3.23Å; V33-E172 WeakPolarHBondContact CA-O 3.41Å; V33-E172 WeakPolarHBondContact CG1-O 3.4Å; V33-F173 HydrophobicContact CB-CD1 4.23Å; V33-F173 HydrophobicContact CB-CE1 4.18Å; V33-F173 HydrophobicContact CG1-CD1 3.8Å; V33-F173 HydrophobicContact CG1-CE1 3.31Å; V33-F173 HydrophobicContact CG1-CZ 3.9Å; V33-F173 HydrophobicContact CG2-CD1 3.43Å; V33-F173 VanDerWaalsContact CG2-CD1 3.43Å; V33-F173 HydrophobicContact CG2-CE1 3.76Å; V33-F173 HydrophobicContact CG2-CG 4.39Å
34S76.6Confident87.9Confident36 Ų3666.5 Ų66.525%0.25236%0.363SS..  trans-148.2160.2-177.677.80000112.6V36 A171 E172S34-V36 WeakPolarHBondContact OG-CG1 3.12Å; S34-A171 WeakPolarHBondContact O-CA 3.13Å; S34-E172 PolarHBondContact O-N 3.2Å; S34-E172 PolarHBondContact OG-OE2 3.06Å
35V86.9Confident88.5Confident35 Ų3567.8 Ų67.821%0.21237%0.374CS..BIsolated β-bridgetrans-9796.4177.9-1760000108.4L13 E14 A17 K169L13-V35 HydrophobicContact CB-CG1 3.87Å; L13-V35 HydrophobicContact CB-CG2 3.79Å; L13-V35 HydrophobicContact CD1-CG1 4.01Å; L13-V35 WeakPolarHBondContact O-CG2 3.12Å; E14-V35 HydrophobicContact CG-CG2 4.32Å; A17-V35 HydrophobicContact CB-CG2 4.03Å; V35-K169 HydrophobicContact CG1-CB 3.99Å; V35-K169 HydrophobicContact CG1-CD 4.2Å
36V84.6Confident89.1Confident36 Ų3664.5 Ų64.522%0.21836%0.359CS..  trans-104.2168.2-173.7-63.20000111.2S34 K169 P170 E172 Y243S34-V36 WeakPolarHBondContact OG-CG1 3.12Å; V36-K169 WeakPolarHBondContact O-CA 3.42Å; V36-K169 VanDerWaalsContact O-CB 3.26Å; V36-K169 WeakPolarHBondContact O-CB 3.35Å; V36-K169 WeakPolarHBondContact O-CG 3.26Å; V36-P170 PolarHBondContact N-O 3.42Å; V36-P170 WeakPolarHBondContact O-CD 3.45Å; V36-E172 HydrophobicContact CG2-CB 4.28Å; V36-Y243 HydrophobicContact CG2-CD1 4.34Å; V36-Y243 HydrophobicContact CG2-CE1 4.13Å
37D87.4Confident89.5Confident113 Ų11361.4 Ų61.460%0.60435%0.345SS*.PPolyproline II helixtrans-77.2138.7163.7-67.5-59.5000109.8K169D37-K169 WeakPolarHBondContact OD1-CE 3.48Å; D37-K169 WeakPolarHBondContact OD1-CG 3.32Å
38C90.5Very high90.3Very high17 Ų1757.7 Ų57.712%0.11533%0.325CS..PPolyproline II helixtrans-61.1128.2-178.4-166.20000110.4G168 P170C38-G168 WeakPolarHBondContact CB-O 3.36Å; C38-G168 PolarHBondContact N-O 2.83Å; C38-P170 HydrophobicContact CB-CG 4.06Å
39P90.9Very high91.1Very high48 Ų4858.3 Ų58.331%0.31233%0.332SS..PPolyproline II helixtrans-63.2155.4170.327.9-33.8000110.3L41 K51 Y243P39-L41 HydrophobicContact CG-CD2 4.04Å; P39-L41 WeakPolarHBondContact O-CG 3.43Å; P39-L41 PolarHBondContact O-N 2.96Å; P39-K51 VanDerWaalsContact O-O 3.06Å; P39-Y243 HydrophobicContact CG-CD2 3.99Å; P39-Y243 HydrophobicContact CG-CE1 4.33Å; P39-Y243 HydrophobicContact CG-CE2 3.53Å
40D97Very high91.6Very high47 Ų4753.3 Ų53.325%0.25129%0.289SS..  trans-67.895178.3-174.3-14.3000110.1T42 K43 K51D40-T42 VanDerWaalsContact CG-OG1 3.31Å; D40-T42 PolarHBondContact O-N 2.69Å; D40-T42 WeakPolarHBondContact OD1-CB 3.48Å; D40-T42 PolarHBondContact OD1-N 2.95Å; D40-T42 PolarHBondContact OD1-OG1 2.93Å; D40-K43 HydrophobicContact CB-CG 4.11Å; D40-K43 VanDerWaalsContact O-CB 3.27Å; D40-K43 WeakPolarHBondContact O-CB 3.35Å; D40-K43 VanDerWaalsContact O-CG 3.24Å; D40-K43 WeakPolarHBondContact O-CG 3.38Å; D40-K43 PolarHBondContact O-N 2.76Å; D40-K43 IonicContact OD2-NZ 2.67Å; D40-K51 WeakPolarHBondContact OD1-CG 3.4Å; D40-K51 IonicContact OD1-NZ 3.54Å; D40-K51 WeakPolarHBondContact OD2-CE 3.37Å; D40-K51 IonicContact OD2-NZ 2.88Å; D40-K51 PolarHBondContact OD2-NZ 3.04Å
41L97.2Very high92.1Very high5 Ų552 Ų523%0.02628%0.277CS..THydrogen-bonded Turntrans-65.2-4.7-173.8-56.2-177.1000114.1P39 K43 F46 T47 F48 V50 K51 I53P39-L41 HydrophobicContact CG-CD2 4.04Å; P39-L41 WeakPolarHBondContact O-CG 3.43Å; P39-L41 PolarHBondContact O-N 2.96Å; L41-K43 PolarHBondContact O-N 3.49Å; L41-F46 HydrophobicContact CB-CB 4.38Å; L41-F46 HydrophobicContact CD2-CD2 3.55Å; L41-F46 HydrophobicContact CD2-CE2 3.81Å; L41-F46 HydrophobicContact CD2-CG 3.94Å; L41-F46 HydrophobicContact CD2-CZ 4.41Å; L41-T47 PolarHBondContact O-N 2.75Å; L41-F48 HydrophobicContact CB-CB 4.21Å; L41-F48 HydrophobicContact CB-CD2 3.76Å; L41-F48 HydrophobicContact CB-CG 4.32Å; L41-F48 HydrophobicContact CD1-CD2 3.78Å; L41-F48 HydrophobicContact CD1-CE2 4.05Å; L41-F48 HydrophobicContact CG-CD2 4.34Å; L41-F48 PolarHBondContact O-N 3.45Å; L41-V50 CarbonylContact C-O 3.58Å; L41-K51 PolarHBondContact N-O 2.91Å; L41-I53 HydrophobicContact CD1-CG2 3.89Å
42T97.9Very high92.8Very high45 Ų4551.9 Ų51.928%0.27628%0.277SS..THydrogen-bonded Turntrans-73.81.8166.769.40000113.3D40 F48 V50 K51D40-T42 VanDerWaalsContact CG-OG1 3.31Å; D40-T42 PolarHBondContact O-N 2.69Å; D40-T42 WeakPolarHBondContact OD1-CB 3.48Å; D40-T42 PolarHBondContact OD1-N 2.95Å; D40-T42 PolarHBondContact OD1-OG1 2.93Å; T42-F48 WeakPolarHBondContact CA-O 3.37Å; T42-V50 VanDerWaalsContact CG2-O 3.32Å; T42-V50 WeakPolarHBondContact CG2-O 3.27Å; T42-V50 PolarHBondContact N-O 3.36Å; T42-K51 HydrophobicContact CG2-CG 4.1Å
43K98Very high93.4Very high114 Ų11446.6 Ų46.650%0.49625%0.252SS..SBendtrans-107.7173-179.3-54.9-67.8165.5-840111.6D40 L41 F46 T47D40-K43 HydrophobicContact CB-CG 4.11Å; D40-K43 VanDerWaalsContact O-CB 3.27Å; D40-K43 WeakPolarHBondContact O-CB 3.35Å; D40-K43 VanDerWaalsContact O-CG 3.24Å; D40-K43 WeakPolarHBondContact O-CG 3.38Å; D40-K43 PolarHBondContact O-N 2.76Å; D40-K43 IonicContact OD2-NZ 2.67Å; L41-K43 PolarHBondContact O-N 3.49Å; K43-F46 PolarHBondContact O-N 3.12Å; K43-F46 VanDerWaalsContact O-N 3.16Å; K43-T47 PolarHBondContact O-N 2.95Å
44E96.1Very high94Very high119 Ų11946.8 Ų46.856%0.55625%0.253SS*.THydrogen-bonded Turntrans-56.3143.4171.5-59-59.9153.800111.6R222E44-R222 IonicContact OE1-CZ 3.25Å; E44-R222 IonicContact OE1-NH1 3.66Å; E44-R222 PolarHBondContact OE1-NH1 2.84Å; E44-R222 IonicContact OE1-NH2 3.65Å; E44-R222 PolarHBondContact OE1-NH2 3.25Å; E44-R222 IonicContact OE2-CZ 3.09Å; E44-R222 IonicContact OE2-NE 3.98Å; E44-R222 PolarHBondContact OE2-NE 2.85Å; E44-R222 IonicContact OE2-NH1 2.76Å; E44-R222 PolarHBondContact OE2-NH1 3.44Å; E44-R222 IonicContact OE2-NH2 2.76Å; E44-R222 PolarHBondContact OE2-NH2 2.74Å
45P96.1Very high94.8Very high64 Ų6446.2 Ų46.242%0.41625%0.254SS..THydrogen-bonded Turncis-80-23.2-732.9-35.7000113.3T47 V198P45-T47 PolarHBondContact O-N 2.81Å; P45-T47 PolarHBondContact O-OG1 2.78Å; P45-V198 HydrophobicContact CB-CG2 3.88Å; P45-V198 HydrophobicContact CG-CG2 4.24Å
46F96.9Very high95.3Very high40 Ų4049.2 Ų49.218%0.17526%0.264CS..THydrogen-bonded Turntrans-59.4-49.2-165.6-53.5-75.1000114.4L41 K43 F48 V198 Y243L41-F46 HydrophobicContact CB-CB 4.38Å; L41-F46 HydrophobicContact CD2-CD2 3.55Å; L41-F46 HydrophobicContact CD2-CE2 3.81Å; L41-F46 HydrophobicContact CD2-CG 3.94Å; L41-F46 HydrophobicContact CD2-CZ 4.41Å; K43-F46 PolarHBondContact O-N 3.12Å; K43-F46 VanDerWaalsContact O-N 3.16Å; F46-F48 HydrophobicContact CB-CD1 3.98Å; F46-F48 HydrophobicContact CB-CD2 4.1Å; F46-F48 HydrophobicContact CB-CE1 4Å; F46-F48 HydrophobicContact CB-CE2 4.09Å; F46-F48 HydrophobicContact CB-CG 4.03Å; F46-F48 HydrophobicContact CB-CZ 4.05Å; F46-F48 HydrophobicContact CD1-CE2 4.14Å; F46-F48 AromaticContact CD1-CZ 3.96Å; F46-F48 HydrophobicContact CD1-CZ 3.96Å; F46-F48 HydrophobicContact CG-CE2 4.41Å; F46-F48 HydrophobicContact CG-CZ 4.44Å; F46-F48 VanDerWaalsContact O-CD1 3.23Å; F46-F48 WeakPolarHBondContact O-CD1 3.36Å; F46-F48 PolarHBondContact O-N 2.92Å; F46-V198 HydrophobicContact CD1-CG1 3.92Å; F46-V198 HydrophobicContact CE1-CG1 4.47Å; F46-Y243 HydrophobicContact CE2-CD2 4.38Å; F46-Y243 HydrophobicContact CE2-CE2 4.18Å; F46-Y243 AromaticContact CZ-CD2 3.93Å; F46-Y243 HydrophobicContact CZ-CD2 3.93Å; F46-Y243 AromaticContact CZ-CE2 3.97Å; F46-Y243 HydrophobicContact CZ-CE2 3.97Å
47T98.1Very high95.9Very high63 Ų6348 Ų4839%0.38726%0.257SS..  trans56.132.9179.1-29.10000113.9L41 K43 P45 R222L41-T47 PolarHBondContact O-N 2.75Å; K43-T47 PolarHBondContact O-N 2.95Å; P45-T47 PolarHBondContact O-N 2.81Å; P45-T47 PolarHBondContact O-OG1 2.78Å; T47-R222 PolarHBondContact OG1-NH2 3.03Å
48F98.5Very high96.4Very high12 Ų1243.1 Ų43.15%0.05323%0.23CC..  trans-71.3157.5-177-66.4-13.3000112.5L41 T42 F46 V50 F93 L95 V114 V198 L200 F220L41-F48 HydrophobicContact CB-CB 4.21Å; L41-F48 HydrophobicContact CB-CD2 3.76Å; L41-F48 HydrophobicContact CB-CG 4.32Å; L41-F48 HydrophobicContact CD1-CD2 3.78Å; L41-F48 HydrophobicContact CD1-CE2 4.05Å; L41-F48 HydrophobicContact CG-CD2 4.34Å; L41-F48 PolarHBondContact O-N 3.45Å; T42-F48 WeakPolarHBondContact CA-O 3.37Å; F46-F48 HydrophobicContact CB-CD1 3.98Å; F46-F48 HydrophobicContact CB-CD2 4.1Å; F46-F48 HydrophobicContact CB-CE1 4Å; F46-F48 HydrophobicContact CB-CE2 4.09Å; F46-F48 HydrophobicContact CB-CG 4.03Å; F46-F48 HydrophobicContact CB-CZ 4.05Å; F46-F48 HydrophobicContact CD1-CE2 4.14Å; F46-F48 AromaticContact CD1-CZ 3.96Å; F46-F48 HydrophobicContact CD1-CZ 3.96Å; F46-F48 HydrophobicContact CG-CE2 4.41Å; F46-F48 HydrophobicContact CG-CZ 4.44Å; F46-F48 VanDerWaalsContact O-CD1 3.23Å; F46-F48 WeakPolarHBondContact O-CD1 3.36Å; F46-F48 PolarHBondContact O-N 2.92Å; F48-V50 PolarHBondContact O-N 2.99Å; F48-V50 VanDerWaalsContact O-N 3.14Å; F48-F93 HydrophobicContact CB-CE2 4.47Å; F48-F93 HydrophobicContact CB-CZ 3.94Å; F48-F93 HydrophobicContact CD2-CE1 4.02Å; F48-F93 AromaticContact CD2-CZ 3.65Å; F48-F93 HydrophobicContact CD2-CZ 3.65Å; F48-F93 HydrophobicContact CE2-CZ 4.29Å; F48-F93 AromaticContact CG-CZ 3.85Å; F48-F93 HydrophobicContact CG-CZ 3.85Å; F48-L95 HydrophobicContact CD2-CD1 4.5Å; F48-L95 HydrophobicContact CD2-CD2 4.47Å; F48-L95 HydrophobicContact CE1-CD2 4.26Å; F48-L95 HydrophobicContact CE2-CD1 3.74Å; F48-L95 HydrophobicContact CE2-CD2 4.02Å; F48-L95 HydrophobicContact CZ-CD1 4.14Å; F48-L95 HydrophobicContact CZ-CD2 3.9Å; F48-V114 HydrophobicContact CD1-CG1 3.56Å; F48-V114 HydrophobicContact CE1-CG1 4.02Å; F48-V114 HydrophobicContact CE1-CG2 4.27Å; F48-V114 HydrophobicContact CG-CG1 4.16Å; F48-V198 HydrophobicContact CE1-CG1 4.43Å; F48-V198 HydrophobicContact CZ-CG1 4.42Å; F48-L200 HydrophobicContact CE1-CD2 4.34Å; F48-L200 HydrophobicContact CZ-CD2 3.85Å; F48-F220 HydrophobicContact CE1-CE1 4.32Å; F48-F220 HydrophobicContact CE1-CZ 4.08Å
49P97.9Very high96.8Very high45 Ų4543 Ų4329%0.29223%0.228SC..SBendtrans-71.2-0.3176.730.1-36.9000114.5F93 Q116 V125P49-F93 HydrophobicContact CG-CD2 4.18Å; P49-F93 HydrophobicContact CG-CE2 3.81Å; P49-Q116 HydrophobicContact CB-CB 4.16Å; P49-Q116 HydrophobicContact CG-CB 4.03Å; P49-V125 HydrophobicContact CB-CB 3.92Å; P49-V125 HydrophobicContact CB-CG1 3.9Å
50V97.5Very high97.2Very high12 Ų1240.7 Ų40.77%0.07321%0.213CC..SBendtrans-138.7167.5-178.6-56.80000111.2L41 T42 F48 G52 F93 Q116 G165L41-V50 CarbonylContact C-O 3.58Å; T42-V50 VanDerWaalsContact CG2-O 3.32Å; T42-V50 WeakPolarHBondContact CG2-O 3.27Å; T42-V50 PolarHBondContact N-O 3.36Å; F48-V50 PolarHBondContact O-N 2.99Å; F48-V50 VanDerWaalsContact O-N 3.14Å; V50-G52 WeakPolarHBondContact CG2-O 3.06Å; V50-F93 HydrophobicContact CB-CG 4.43Å; V50-F93 HydrophobicContact CG1-CB 4.21Å; V50-F93 HydrophobicContact CG1-CD2 4.12Å; V50-F93 HydrophobicContact CG1-CG 4.18Å; V50-F93 HydrophobicContact CG2-CB 4.05Å; V50-F93 HydrophobicContact CG2-CD1 3.33Å; V50-F93 HydrophobicContact CG2-CD2 3.67Å; V50-F93 HydrophobicContact CG2-CE1 3.52Å; V50-F93 HydrophobicContact CG2-CE2 3.88Å; V50-F93 HydrophobicContact CG2-CG 3.39Å; V50-F93 HydrophobicContact CG2-CZ 3.79Å; V50-Q116 HydrophobicContact CG1-CB 4.36Å; V50-G165 WeakPolarHBondContact CB-O 3.43Å
51K97.1Very high97.3Very high108 Ų10838.7 Ų38.747%0.4720%0.202SC..SBendtrans-86.5-16.5-173.1-68.3-152.3168.9-138.20115.7P39 D40 L41 T42 P167P39-K51 VanDerWaalsContact O-O 3.06Å; D40-K51 WeakPolarHBondContact OD1-CG 3.4Å; D40-K51 IonicContact OD1-NZ 3.54Å; D40-K51 WeakPolarHBondContact OD2-CE 3.37Å; D40-K51 IonicContact OD2-NZ 2.88Å; D40-K51 PolarHBondContact OD2-NZ 3.04Å; L41-K51 PolarHBondContact N-O 2.91Å; T42-K51 HydrophobicContact CG2-CG 4.1Å; K51-P167 HydrophobicContact CB-CG 3.94Å
52G96.2Very high97.4Very high0 Ų038.5 Ų38.50%020%0.201CC..  trans-168-174.4-175.900000112.6V50 G165 Q166V50-G52 WeakPolarHBondContact CG2-O 3.06Å; G52-G165 PolarHBondContact N-O 3.48Å; G52-G165 CarbonylContact O-C 3.51Å; G52-G165 VanDerWaalsContact O-CA 3.22Å; G52-G165 WeakPolarHBondContact O-CA 3.21Å; G52-Q166 CarbonylContact C-O 3.41Å; G52-Q166 VanDerWaalsContact C-O 3.27Å; G52-Q166 VanDerWaalsContact CA-O 3.27Å; G52-Q166 WeakPolarHBondContact CA-O 3.45Å
53I97.1Very high97.4Very high10 Ų1036.3 Ų36.35%0.05119%0.188CC..SBendtrans-111.89.3-177.350.6165.9000113.5L41 F93 L95 F161 S163 Q166 P170 Y243 L245L41-I53 HydrophobicContact CD1-CG2 3.89Å; I53-F93 HydrophobicContact CG2-CE1 4.28Å; I53-L95 HydrophobicContact CG2-CD1 4.01Å; I53-F161 HydrophobicContact CB-CE1 3.92Å; I53-F161 HydrophobicContact CB-CZ 4.35Å; I53-F161 HydrophobicContact CG2-CE1 4.25Å; I53-S163 WeakPolarHBondContact O-CB 3.42Å; I53-S163 PolarHBondContact O-OG 3.36Å; I53-Q166 PolarHBondContact N-O 2.92Å; I53-P170 HydrophobicContact CD1-CB 4.21Å; I53-Y243 WeakPolarHBondContact CD1-O 3.18Å; I53-L245 HydrophobicContact CB-CD1 4.4Å; I53-L245 HydrophobicContact CD1-CD1 4.12Å; I53-L245 HydrophobicContact CD1-CG 4.17Å; I53-L245 HydrophobicContact CG1-CD1 3.91Å; I53-L245 HydrophobicContact CG1-CG 4.47Å; I53-L245 VanDerWaalsContact O-CD1 3.27Å; I53-L245 WeakPolarHBondContact O-CD1 3.48Å
54C94.8Very high97.3Very high13 Ų1331.1 Ų31.19%0.08817%0.166CC..BIsolated β-bridgetrans-87.5158.4-171.1-55.30000113.6E164 G165 Q166 G168 L245C54-E164 PolarHBondContact O-N 3.43Å; C54-G165 PolarHBondContact O-N 3.06Å; C54-Q166 HydrophobicContact CB-CB 4.37Å; C54-Q166 VanDerWaalsContact CB-O 3.27Å; C54-Q166 WeakPolarHBondContact CB-O 3.44Å; C54-Q166 PolarHBondContact N-O 3.4Å; C54-Q166 WeakPolarHBondContact O-CB 3.14Å; C54-Q166 PolarHBondContact O-N 3.06Å; C54-Q166 VanDerWaalsContact O-N 3.08Å; C54-G168 VanDerWaalsContact SG-C 3.54Å; C54-G168 VanDerWaalsContact SG-CA 3.51Å; C54-L245 HydrophobicContact CB-CD1 4.32Å
55G94.3Very high97Very high25 Ų2526.1 Ų26.126%0.25814%0.144SC..SBendtrans96.3123.7175.400000113.9T57 S163 E164G55-T57 VanDerWaalsContact C-N 3.33Å; G55-T57 PolarHBondContact O-N 2.96Å; G55-S163 CarbonylContact O-C 3.54Å; G55-S163 WeakPolarHBondContact O-CA 3.48Å; G55-E164 PolarHBondContact O-N 2.84Å
56K97Very high96.9Very high97 Ų9724 Ų2442%0.42213%0.13SC..SBendtrans48.144.3173.1-62.6-169.2-172.271.10115R58 L89 E164 E248K56-R58 PolarHBondContact O-NE 3.29Å; K56-R58 PolarHBondContact O-NH2 2.8Å; K56-L89 HydrophobicContact CB-CD1 4.12Å; K56-L89 HydrophobicContact CD-CD1 4.04Å; K56-E164 HydrophobicContact CB-CG 4.15Å; K56-E164 HydrophobicContact CG-CG 4.34Å; K56-E164 IonicContact NZ-OE1 2.67Å; K56-E164 PolarHBondContact NZ-OE1 2.73Å; K56-E164 IonicContact NZ-OE2 2.64Å; K56-E164 PolarHBondContact NZ-OE2 2.81Å; K56-E248 WeakPolarHBondContact CA-OE1 3.36Å
57T97.6Very high96.9Very high11 Ų1123.1 Ų23.17%0.06713%0.126CC..  trans-61.2138.8-169.253.70000112.4G55 F161 A162 L245 P246 E248G55-T57 VanDerWaalsContact C-N 3.33Å; G55-T57 PolarHBondContact O-N 2.96Å; T57-F161 HydrophobicContact CG2-CE2 4.03Å; T57-F161 HydrophobicContact CG2-CZ 3.67Å; T57-A162 CarbonylContact C-O 3.5Å; T57-A162 WeakPolarHBondContact CA-O 3.36Å; T57-L245 HydrophobicContact CG2-CB 4.16Å; T57-L245 HydrophobicContact CG2-CD1 3.85Å; T57-P246 WeakPolarHBondContact CB-O 3.18Å; T57-P246 PolarHBondContact OG1-O 3.14Å; T57-E248 WeakPolarHBondContact O-CB 3.37Å; T57-E248 PolarHBondContact O-N 2.8Å; T57-E248 PolarHBondContact OG1-N 2.85Å
58R98.5Very high96.3Very high11 Ų1121.8 Ų21.84%0.04212%0.116CC..EExtended strand (participates in β ladder)trans-153.6151.3179.262.2-156.961.6-135.4-18.3111.8K56 I87 A162 F249 Y251K56-R58 PolarHBondContact O-NE 3.29Å; K56-R58 PolarHBondContact O-NH2 2.8Å; R58-I87 WeakPolarHBondContact CD-O 3.32Å; R58-I87 HydrophobicContact CG-CD1 4.11Å; R58-I87 PolarHBondContact NH1-O 3.07Å; R58-A162 HydrophobicContact CG-CB 3.81Å; R58-A162 PolarHBondContact N-O 3.26Å; R58-A162 PolarHBondContact O-N 2.93Å; R58-F249 CarbonylContact C-O 3.03Å; R58-F249 VanDerWaalsContact CA-O 3.23Å; R58-F249 WeakPolarHBondContact CA-O 3.43Å; R58-F249 HydrophobicContact CB-CB 4.17Å; R58-F249 WeakPolarHBondContact CB-O 3.32Å; R58-Y251 HydrophobicContact CB-CD2 4.11Å; R58-Y251 HydrophobicContact CB-CE2 3.94Å; R58-Y251 HydrophobicContact CG-CD2 4.34Å; R58-Y251 HydrophobicContact CG-CE2 4.24Å; R58-Y251 PolarHBondContact NH1-OH 2.82Å
59I98.8Very high95.3Very high14 Ų1422.9 Ų22.97%0.07212%0.122CC..EExtended strand (participates in β ladder)trans-99.6142.9169-72.2169000109.2F8 L160 V202 V204 A247 F249 L250 Y251F8-I59 HydrophobicContact CE2-CB 4.42Å; F8-I59 HydrophobicContact CE2-CD1 4.2Å; F8-I59 HydrophobicContact CZ-CD1 4.46Å; I59-L160 CarbonylContact C-O 3.58Å; I59-L160 VanDerWaalsContact CA-O 3.23Å; I59-L160 WeakPolarHBondContact CA-O 3.34Å; I59-V202 HydrophobicContact CD1-CG1 4.08Å; I59-V202 HydrophobicContact CG1-CG1 4.12Å; I59-V202 HydrophobicContact CG2-CG1 4.07Å; I59-V204 HydrophobicContact CD1-CG2 3.81Å; I59-A247 HydrophobicContact CB-CB 4.5Å; I59-A247 HydrophobicContact CD1-CB 4.07Å; I59-A247 HydrophobicContact CG1-CB 3.86Å; I59-F249 PolarHBondContact N-O 3.33Å; I59-L250 HydrophobicContact CB-CD1 4.47Å; I59-L250 HydrophobicContact CG2-CD1 3.99Å; I59-L250 CarbonylContact O-C 3.13Å; I59-L250 WeakPolarHBondContact O-CA 3.18Å; I59-Y251 PolarHBondContact O-N 2.76Å
60A98.8Very high94.7Very high0 Ų026.2 Ų26.20%014%0.144CC..EExtended strand (participates in β ladder)trans-120.1125.816600000110.2V62 I83 I87 L160 Y251A60-V62 HydrophobicContact CB-CG2 4.32Å; A60-I83 HydrophobicContact CB-CG2 4.39Å; A60-I87 HydrophobicContact CB-CD1 4.48Å; A60-I87 HydrophobicContact CB-CG2 3.86Å; A60-L160 HydrophobicContact CB-CB 4.17Å; A60-L160 HydrophobicContact CB-CD1 4.4Å; A60-L160 PolarHBondContact N-O 2.94Å; A60-L160 PolarHBondContact O-N 2.88Å; A60-Y251 WeakPolarHBondContact CA-O 3.27Å
61E98.7Very high94.1Very high5 Ų533 Ų332%0.02318%0.179CC..EExtended strand (participates in β ladder)trans-109.3100.3174.4173.589.6-125.200107.3N159 L212 R213 L250 Y251 R252 I253E61-N159 PolarHBondContact OE1-ND2 3.03Å; E61-N159 PolarHBondContact OE2-ND2 2.82Å; E61-L212 HydrophobicContact CB-CD2 3.88Å; E61-L212 HydrophobicContact CG-CD2 3.64Å; E61-L212 WeakPolarHBondContact OE2-CA 3.15Å; E61-R213 PolarHBondContact OE2-N 2.85Å; E61-L250 HydrophobicContact CB-CD1 4.24Å; E61-Y251 PolarHBondContact N-O 2.76Å; E61-R252 VanDerWaalsContact CG-CD 3.41Å; E61-R252 PolarHBondContact O-NH1 2.94Å; E61-I253 PolarHBondContact O-N 3.18Å
62V98.8Very high93.6Very high0 Ų031 Ų310%018%0.176CC..EExtended strand (participates in β ladder)trans-104.3126.3-172.8-170.60000109.4A60 G64 Y78 I83 L157 A158 L160 I253A60-V62 HydrophobicContact CB-CG2 4.32Å; V62-G64 PolarHBondContact O-N 3.23Å; V62-Y78 HydrophobicContact CG1-CD1 3.76Å; V62-Y78 HydrophobicContact CG1-CD2 3.93Å; V62-Y78 HydrophobicContact CG1-CE1 3.87Å; V62-Y78 HydrophobicContact CG1-CE2 4.03Å; V62-Y78 HydrophobicContact CG1-CG 3.79Å; V62-I83 HydrophobicContact CG1-CD1 4.16Å; V62-I83 HydrophobicContact CG2-CD1 3.98Å; V62-I83 HydrophobicContact CG2-CG1 4.4Å; V62-I83 HydrophobicContact CG2-CG2 4.34Å; V62-L157 CarbonylContact O-C 3.48Å; V62-L157 VanDerWaalsContact O-CA 3.28Å; V62-L157 WeakPolarHBondContact O-CA 3.25Å; V62-A158 HydrophobicContact CB-CB 4.25Å; V62-A158 PolarHBondContact N-O 3.42Å; V62-A158 PolarHBondContact O-N 2.96Å; V62-L160 HydrophobicContact CG2-CD1 4.16Å; V62-I253 WeakPolarHBondContact CA-O 3.38Å; V62-I253 HydrophobicContact CG1-CB 4.33Å; V62-I253 HydrophobicContact CG1-CG2 4.16Å; V62-I253 HydrophobicContact CG2-CB 4.29Å; V62-I253 HydrophobicContact CG2-CD1 4.38Å
63G98.4Very high93.5Very high0 Ų034.1 Ų34.10%019%0.192CC..EExtended strand (participates in β ladder)trans63.3-132.1177.400000112.6Y78 R252 I253 P256G63-Y78 WeakPolarHBondContact CA-OH 3.4Å; G63-R252 VanDerWaalsContact O-CZ 3.29Å; G63-R252 PolarHBondContact O-NH1 2.92Å; G63-R252 PolarHBondContact O-NH2 2.88Å; G63-I253 PolarHBondContact N-O 3.4Å; G63-P256 WeakPolarHBondContact O-CD 3.33Å
64G95.9Very high93.2Very high5 Ų539.5 Ų39.55%0.05222%0.217CC..  trans158.1171.6172.900000113.9V62 P66 Y67 L156V62-G64 PolarHBondContact O-N 3.23Å; G64-P66 VanDerWaalsContact C-N 3.27Å; G64-Y67 WeakPolarHBondContact O-CB 3.46Å; G64-Y67 PolarHBondContact O-N 3.07Å; G64-L156 PolarHBondContact N-O 2.84Å
65V91.1Very high93.4Very high13 Ų1347.8 Ų47.88%0.07925%0.252CS..G310 helixtrans-51.1-36.2177.9-171.40000113.7Y67 L68 L69 L157 G263 R264V65-Y67 PolarHBondContact O-N 2.8Å; V65-L68 WeakPolarHBondContact O-CA 3.26Å; V65-L68 WeakPolarHBondContact O-CB 3.13Å; V65-L68 PolarHBondContact O-N 3.15Å; V65-L69 HydrophobicContact CG1-CB 4.47Å; V65-L69 HydrophobicContact CG1-CD1 3.87Å; V65-L69 HydrophobicContact CG1-CG 4.2Å; V65-L69 PolarHBondContact O-N 2.79Å; V65-L157 HydrophobicContact CB-CD2 4.48Å; V65-L157 HydrophobicContact CG2-CD2 4.1Å; V65-G263 WeakPolarHBondContact CG1-O 3.19Å; V65-G263 VanDerWaalsContact CG2-O 3.29Å; V65-G263 WeakPolarHBondContact CG2-O 3.12Å; V65-R264 HydrophobicContact CG2-CG 4.33Å
66P94.1Very high93.6Very high19 Ų1948.2 Ų48.212%0.12325%0.246CC..G310 helixtrans-65.50.9173.6-20.932.6000116.3G64 L69 P256 E258 T259G64-P66 VanDerWaalsContact C-N 3.27Å; P66-L69 CarbonylContact C-O 3.59Å; P66-L69 WeakPolarHBondContact CA-O 3.34Å; P66-P256 HydrophobicContact CB-CB 3.92Å; P66-P256 HydrophobicContact CB-CG 4.08Å; P66-P256 HydrophobicContact CG-CB 4.18Å; P66-P256 HydrophobicContact CG-CG 4.09Å; P66-E258 WeakPolarHBondContact CB-O 3.34Å; P66-T259 WeakPolarHBondContact CG-OG1 3.27Å
67Y95.3Very high93.6Very high22 Ų2246.3 Ų46.39%0.08624%0.243CC..G310 helixtrans-98.8-11166.3-63.4-22.7000113.1G64 V65 N73 K76 Y78 L156 D254 Q255 P256G64-Y67 WeakPolarHBondContact O-CB 3.46Å; G64-Y67 PolarHBondContact O-N 3.07Å; V65-Y67 PolarHBondContact O-N 2.8Å; Y67-N73 PolarHBondContact O-N 2.85Å; Y67-K76 HydrophobicContact CD1-CG 4.25Å; Y67-K76 HydrophobicContact CD2-CB 4.04Å; Y67-K76 HydrophobicContact CD2-CD 3.66Å; Y67-K76 HydrophobicContact CD2-CG 3.64Å; Y67-K76 HydrophobicContact CE1-CD 4.44Å; Y67-K76 HydrophobicContact CE2-CD 3.57Å; Y67-K76 VanDerWaalsContact CE2-CE 3.48Å; Y67-K76 HydrophobicContact CE2-CG 4.09Å; Y67-K76 VanDerWaalsContact CE2-NZ 3.33Å; Y67-K76 HydrophobicContact CG-CB 4.33Å; Y67-K76 HydrophobicContact CG-CD 4.16Å; Y67-K76 HydrophobicContact CG-CG 3.74Å; Y67-K76 PolarHBondContact OH-NZ 3.02Å; Y67-Y78 WeakPolarHBondContact CE2-OH 3.06Å; Y67-L156 WeakPolarHBondContact CD2-O 3.29Å; Y67-D254 VanDerWaalsContact CE2-O 3.23Å; Y67-D254 WeakPolarHBondContact CE2-O 3.42Å; Y67-D254 VanDerWaalsContact CZ-O 3.31Å; Y67-D254 PolarHBondContact OH-O 2.69Å; Y67-Q255 PolarHBondContact OH-O 2.97Å; Y67-P256 HydrophobicContact CD1-CB 4.39Å; Y67-P256 HydrophobicContact CD1-CG 4.23Å; Y67-P256 HydrophobicContact CE1-CB 3.81Å; Y67-P256 HydrophobicContact CE1-CG 3.87Å; Y67-P256 HydrophobicContact CE2-CG 4.19Å; Y67-P256 WeakPolarHBondContact OH-CA 3.43Å
68L86.4Confident93.7Very high36 Ų3646.1 Ų46.119%0.18824%0.241CC..THydrogen-bonded Turntrans-95.8-44.3168.917561.6000111.4V65 L71 V72 L156 W187V65-L68 WeakPolarHBondContact O-CA 3.26Å; V65-L68 WeakPolarHBondContact O-CB 3.13Å; V65-L68 PolarHBondContact O-N 3.15Å; L68-L71 CarbonylContact O-C 3.53Å; L68-V72 HydrophobicContact CD1-CB 4.41Å; L68-V72 HydrophobicContact CD1-CG2 4.33Å; L68-V72 VanDerWaalsContact O-CA 3.31Å; L68-V72 WeakPolarHBondContact O-CA 3.27Å; L68-V72 PolarHBondContact O-N 2.92Å; L68-V72 VanDerWaalsContact O-N 3.16Å; L68-L156 HydrophobicContact CB-CD1 3.92Å; L68-L156 HydrophobicContact CD1-CD1 3.65Å; L68-L156 HydrophobicContact CG-CD1 4.32Å; L68-W187 HydrophobicContact CD1-CH2 4.2Å; L68-W187 HydrophobicContact CD2-CH2 4.18Å; L68-W187 HydrophobicContact CD2-CZ3 4.16Å; L68-W187 HydrophobicContact CG-CH2 4.45Å
69L77.3Confident93.7Very high35 Ų3546.9 Ų46.918%0.18325%0.246CC..SBendtrans-114.8156.7-173.6-60.4-178.1000111.9V65 P66 H260 I262V65-L69 HydrophobicContact CG1-CB 4.47Å; V65-L69 HydrophobicContact CG1-CD1 3.87Å; V65-L69 HydrophobicContact CG1-CG 4.2Å; V65-L69 PolarHBondContact O-N 2.79Å; P66-L69 CarbonylContact C-O 3.59Å; P66-L69 WeakPolarHBondContact CA-O 3.34Å; L69-H260 PolarHBondContact O-NE2 2.81Å; L69-I262 HydrophobicContact CD1-CG2 4.43Å
70P86.1Confident93.7Very high115 Ų11546.2 Ų46.275%0.74724%0.243SC*.SBendcis-73.2-10.1-13.432.7-36.1000112.9
71L83.8Confident93.6Very high154 Ų15447 Ų4781%0.80625%0.247SC*.SBendtrans-137.4127.2175-69175.5000110L68 N73L68-L71 CarbonylContact O-C 3.53Å; L71-N73 PolarHBondContact O-N 2.83Å
72V86.8Confident93.6Very high66 Ų6652.8 Ų52.840%0.427%0.272SS..  trans-67.7126.3-171.259.30000113.6L68 Q74 L156L68-V72 HydrophobicContact CD1-CB 4.41Å; L68-V72 HydrophobicContact CD1-CG2 4.33Å; L68-V72 VanDerWaalsContact O-CA 3.31Å; L68-V72 WeakPolarHBondContact O-CA 3.27Å; L68-V72 PolarHBondContact O-N 2.92Å; L68-V72 VanDerWaalsContact O-N 3.16Å; V72-Q74 HydrophobicContact CG1-CG 4.13Å; V72-Q74 HydrophobicContact CG2-CG 4.01Å; V72-Q74 PolarHBondContact O-N 2.96Å; V72-L156 HydrophobicContact CG2-CD1 3.67Å; V72-L156 HydrophobicContact CG2-CD2 3.78Å; V72-L156 HydrophobicContact CG2-CG 4.4Å
73N93.6Very high93.6Very high65 Ų6552.9 Ų52.935%0.34827%0.272SS..  trans-91.479.9173.2-172.6-4000110.5Y67 L71 K75 K76Y67-N73 PolarHBondContact O-N 2.85Å; L71-N73 PolarHBondContact O-N 2.83Å; N73-K75 PolarHBondContact O-N 2.82Å; N73-K76 HydrophobicContact CB-CG 4.14Å; N73-K76 WeakPolarHBondContact O-CB 3.42Å; N73-K76 PolarHBondContact O-N 3.25Å
74Q92.3Very high93.6Very high124 Ų12452.9 Ų52.958%0.57927%0.272SS*.THydrogen-bonded Turntrans-58.7-5.6-176.7-65.7179.9-100115.5V72 K76 F102V72-Q74 HydrophobicContact CG1-CG 4.13Å; V72-Q74 HydrophobicContact CG2-CG 4.01Å; V72-Q74 PolarHBondContact O-N 2.96Å; Q74-K76 VanDerWaalsContact C-N 3.28Å; Q74-F102 HydrophobicContact CB-CE2 3.85Å; Q74-F102 HydrophobicContact CB-CZ 3.95Å; Q74-F102 HydrophobicContact CG-CE2 4.11Å; Q74-F102 HydrophobicContact CG-CZ 4.17Å
75K97.6Very high93.7Very high186 Ų18657 Ų5781%0.80929%0.289SS*.THydrogen-bonded Turntrans-80-9.6172.2-57.8178.9-176.4175.30113N73 V77N73-K75 PolarHBondContact O-N 2.82Å; K75-V77 PolarHBondContact O-N 2.92Å; K75-V77 VanDerWaalsContact O-N 3.16Å
76K98Very high94Very high34 Ų3458.8 Ų58.815%0.14830%0.296CS..  trans-85.780.7179.1-65.9-70.3-172.2159.40109.6Y67 N73 Q74 Y78 A155 L156 D254Y67-K76 HydrophobicContact CD1-CG 4.25Å; Y67-K76 HydrophobicContact CD2-CB 4.04Å; Y67-K76 HydrophobicContact CD2-CD 3.66Å; Y67-K76 HydrophobicContact CD2-CG 3.64Å; Y67-K76 HydrophobicContact CE1-CD 4.44Å; Y67-K76 HydrophobicContact CE2-CD 3.57Å; Y67-K76 VanDerWaalsContact CE2-CE 3.48Å; Y67-K76 HydrophobicContact CE2-CG 4.09Å; Y67-K76 VanDerWaalsContact CE2-NZ 3.33Å; Y67-K76 HydrophobicContact CG-CB 4.33Å; Y67-K76 HydrophobicContact CG-CD 4.16Å; Y67-K76 HydrophobicContact CG-CG 3.74Å; Y67-K76 PolarHBondContact OH-NZ 3.02Å; N73-K76 HydrophobicContact CB-CG 4.14Å; N73-K76 WeakPolarHBondContact O-CB 3.42Å; N73-K76 PolarHBondContact O-N 3.25Å; Q74-K76 VanDerWaalsContact C-N 3.28Å; K76-Y78 HydrophobicContact CB-CE2 4.4Å; K76-A155 CarbonylContact O-C 3.47Å; K76-A155 WeakPolarHBondContact O-CA 3.34Å; K76-L156 HydrophobicContact CB-CD2 4.22Å; K76-L156 PolarHBondContact O-N 3.45Å; K76-D254 WeakPolarHBondContact CD-OD2 3.37Å; K76-D254 IonicContact NZ-OD1 2.68Å; K76-D254 PolarHBondContact NZ-OD1 2.92Å; K76-D254 IonicContact NZ-OD2 2.69Å; K76-D254 PolarHBondContact NZ-OD2 2.59Å
77V98.4Very high94.2Very high58 Ų5857.9 Ų57.935%0.35229%0.291SS..EExtended strand (participates in β ladder)trans-118.9140179.5-65.10000109.6K75 F102 Q103 A155K75-V77 PolarHBondContact O-N 2.92Å; K75-V77 VanDerWaalsContact O-N 3.16Å; V77-F102 HydrophobicContact CG1-CE2 4.37Å; V77-F102 HydrophobicContact CG1-CZ 4.17Å; V77-Q103 HydrophobicContact CB-CG 4.36Å; V77-Q103 HydrophobicContact CG1-CB 4.22Å; V77-Q103 HydrophobicContact CG1-CG 3.87Å; V77-A155 HydrophobicContact CG1-CB 4.4Å
78Y98.7Very high94.3Very high6 Ų663 Ų632%0.02431%0.313CS..EExtended strand (participates in β ladder)trans-132.4164.1-169.4-55.6-68.9000112M1 V62 G63 Y67 K76 Q153 C154 D254M1-Y78 HydrophobicContact CE-CD1 4.43Å; M1-Y78 HydrophobicContact SD-CD1 3.82Å; M1-Y78 HydrophobicContact SD-CE1 3.78Å; V62-Y78 HydrophobicContact CG1-CD1 3.76Å; V62-Y78 HydrophobicContact CG1-CD2 3.93Å; V62-Y78 HydrophobicContact CG1-CE1 3.87Å; V62-Y78 HydrophobicContact CG1-CE2 4.03Å; V62-Y78 HydrophobicContact CG1-CG 3.79Å; G63-Y78 WeakPolarHBondContact CA-OH 3.4Å; Y67-Y78 WeakPolarHBondContact CE2-OH 3.06Å; K76-Y78 HydrophobicContact CB-CE2 4.4Å; Y78-Q153 WeakPolarHBondContact O-CA 3.47Å; Y78-Q153 PolarHBondContact O-NE2 2.85Å; Y78-Q153 PolarHBondContact O-OE1 2.91Å; Y78-C154 PolarHBondContact N-O 3.23Å; Y78-C154 PolarHBondContact O-N 3.14Å; Y78-C154 VanDerWaalsContact O-N 3.08Å; Y78-D254 HydrophobicContact CE1-CB 4.15Å; Y78-D254 WeakPolarHBondContact CE1-OD2 3.46Å; Y78-D254 PolarHBondContact OH-OD2 2.95Å
79D98.6Very high94.9Very high27 Ų2761.8 Ų61.814%0.14431%0.307CS..EExtended strand (participates in β ladder)trans-133.8114.3-176.4178.7-41.1000108.8N81 K82 I83 F152D79-N81 VanDerWaalsContact C-N 3.29Å; D79-N81 PolarHBondContact O-N 2.98Å; D79-N81 WeakPolarHBondContact OD1-CA 3.03Å; D79-N81 WeakPolarHBondContact OD1-CB 3.33Å; D79-N81 PolarHBondContact OD1-N 2.87Å; D79-K82 HydrophobicContact CB-CB 4.01Å; D79-K82 HydrophobicContact CB-CD 3.97Å; D79-K82 HydrophobicContact CB-CG 3.93Å; D79-K82 CarbonylContact O-C 3.47Å; D79-K82 PolarHBondContact O-N 2.94Å; D79-K82 VanDerWaalsContact O-N 3.09Å; D79-K82 PolarHBondContact OD1-N 2.89Å; D79-K82 IonicContact OD2-NZ 2.93Å; D79-K82 PolarHBondContact OD2-NZ 2.76Å; D79-I83 WeakPolarHBondContact O-CG1 3.27Å; D79-I83 PolarHBondContact O-N 2.8Å; D79-F152 WeakPolarHBondContact CA-O 3.45Å
80L98.6Very high95.8Very high1 Ų163.8 Ų63.81%0.00532%0.322CS..Hα-helixtrans-69.5-26.1-172.4-67.8161.5000112.4I83 A84 F111 P113 I115 F152 C154 L160L80-I83 HydrophobicContact CD2-CD1 3.86Å; L80-I83 HydrophobicContact CG-CD1 4.45Å; L80-A84 PolarHBondContact O-N 3.41Å; L80-F111 HydrophobicContact CD1-CE1 3.9Å; L80-P113 HydrophobicContact CD1-CB 4.21Å; L80-I115 HydrophobicContact CB-CD1 3.98Å; L80-I115 HydrophobicContact CD1-CD1 3.44Å; L80-I115 VanDerWaalsContact CD1-CD1 3.44Å; L80-I115 HydrophobicContact CG-CD1 4.32Å; L80-F152 HydrophobicContact CB-CB 4.41Å; L80-F152 PolarHBondContact N-O 3.41Å; L80-C154 HydrophobicContact CD1-CB 4.3Å; L80-L160 HydrophobicContact CD2-CD1 3.43Å; L80-L160 VanDerWaalsContact CD2-CD1 3.43Å; L80-L160 HydrophobicContact CD2-CD2 4.16Å; L80-L160 HydrophobicContact CD2-CG 4.45Å
81N97.9Very high96.4Very high16 Ų1658.7 Ų58.79%0.08629%0.29CS..Hα-helixtrans-74.1-31171.9-171.636.3000112D79 K85 E118 F152D79-N81 VanDerWaalsContact C-N 3.29Å; D79-N81 PolarHBondContact O-N 2.98Å; D79-N81 WeakPolarHBondContact OD1-CA 3.03Å; D79-N81 WeakPolarHBondContact OD1-CB 3.33Å; D79-N81 PolarHBondContact OD1-N 2.87Å; N81-K85 PolarHBondContact ND2-NZ 3.21Å; N81-K85 WeakPolarHBondContact O-CD 3.23Å; N81-K85 WeakPolarHBondContact O-CG 3.23Å; N81-E118 PolarHBondContact ND2-OE2 2.9Å; N81-E118 WeakPolarHBondContact OD1-CB 3.46Å; N81-E118 PolarHBondContact OD1-N 3.36Å; N81-F152 HydrophobicContact CB-CB 4.18Å; N81-F152 HydrophobicContact CB-CD2 4.2Å; N81-F152 HydrophobicContact CB-CG 4.1Å
82K98.2Very high97.1Very high127 Ų12751.3 Ų51.355%0.55225%0.251SS*.Hα-helixtrans-75.1-39.1169.9-63.2-175.6-174.792.50111.8D79 A84 K85 E86D79-K82 HydrophobicContact CB-CB 4.01Å; D79-K82 HydrophobicContact CB-CD 3.97Å; D79-K82 HydrophobicContact CB-CG 3.93Å; D79-K82 CarbonylContact O-C 3.47Å; D79-K82 PolarHBondContact O-N 2.94Å; D79-K82 VanDerWaalsContact O-N 3.09Å; D79-K82 PolarHBondContact OD1-N 2.89Å; D79-K82 IonicContact OD2-NZ 2.93Å; D79-K82 PolarHBondContact OD2-NZ 2.76Å; K82-A84 PolarHBondContact O-N 3.35Å; K82-K85 WeakPolarHBondContact O-CB 3.41Å; K82-K85 PolarHBondContact O-N 2.84Å; K82-K85 VanDerWaalsContact O-N 3.1Å; K82-E86 PolarHBondContact O-N 2.96Å
83I98.6Very high97.6Very high1 Ų148.2 Ų48.21%0.00523%0.233CC..Hα-helixtrans-58.6-46.2175.8-72.2158.3000110.7A60 V62 D79 L80 K85 E86 I87 L160 I253A60-I83 HydrophobicContact CB-CG2 4.39Å; V62-I83 HydrophobicContact CG1-CD1 4.16Å; V62-I83 HydrophobicContact CG2-CD1 3.98Å; V62-I83 HydrophobicContact CG2-CG1 4.4Å; V62-I83 HydrophobicContact CG2-CG2 4.34Å; D79-I83 WeakPolarHBondContact O-CG1 3.27Å; D79-I83 PolarHBondContact O-N 2.8Å; L80-I83 HydrophobicContact CD2-CD1 3.86Å; L80-I83 HydrophobicContact CG-CD1 4.45Å; I83-K85 PolarHBondContact O-N 3.2Å; I83-K85 VanDerWaalsContact O-N 3.17Å; I83-E86 CarbonylContact O-C 3.59Å; I83-E86 WeakPolarHBondContact O-CA 3.39Å; I83-E86 PolarHBondContact O-N 2.59Å; I83-I87 HydrophobicContact CG2-CG2 4.13Å; I83-I87 WeakPolarHBondContact O-CG1 3.37Å; I83-I87 WeakPolarHBondContact O-CG2 3.37Å; I83-I87 PolarHBondContact O-N 3.31Å; I83-L160 HydrophobicContact CG2-CD1 4.18Å; I83-I253 HydrophobicContact CG2-CD1 4.1Å
84A98.3Very high97.9Very high0 Ų045.2 Ų45.20%022%0.216CC..Hα-helixtrans-50.9-40.6174.200000113.2L80 K82 I87 L89 A92 I94 T117L80-A84 PolarHBondContact O-N 3.41Å; K82-A84 PolarHBondContact O-N 3.35Å; A84-I87 WeakPolarHBondContact O-CG1 3.26Å; A84-L89 CarbonylContact O-C 3.59Å; A84-L89 WeakPolarHBondContact O-CA 3.36Å; A84-L89 PolarHBondContact O-N 2.78Å; A84-L89 VanDerWaalsContact O-O 3.12Å; A84-A92 HydrophobicContact CB-CB 4.12Å; A84-I94 HydrophobicContact CB-CD1 4.28Å; A84-T117 HydrophobicContact CB-CG2 3.89Å; A84-T117 WeakPolarHBondContact CB-OG1 3.03Å
85K97.4Very high98.2Very high93 Ų9340.1 Ų40.140%0.40419%0.193SC..Hα-helixtrans-75-36178.6-62.6165.6-171.7175.70111.4N81 K82 I83 K88 P90 E118N81-K85 PolarHBondContact ND2-NZ 3.21Å; N81-K85 WeakPolarHBondContact O-CD 3.23Å; N81-K85 WeakPolarHBondContact O-CG 3.23Å; K82-K85 WeakPolarHBondContact O-CB 3.41Å; K82-K85 PolarHBondContact O-N 2.84Å; K82-K85 VanDerWaalsContact O-N 3.1Å; I83-K85 PolarHBondContact O-N 3.2Å; I83-K85 VanDerWaalsContact O-N 3.17Å; K85-K88 PolarHBondContact O-N 2.61Å; K85-P90 HydrophobicContact CG-CB 4.09Å; K85-P90 HydrophobicContact CG-CG 4.16Å; K85-E118 IonicContact NZ-OE2 3.39Å; K85-E118 PolarHBondContact NZ-OE2 2.86Å
86E98.3Very high98.3Very high49 Ų4931.3 Ų31.323%0.22916%0.155CC..Hα-helixtrans-71.4-32.3176.5-171158.8175.900113.3M1 C3 K82 I83 K88 I253M1-E86 WeakPolarHBondContact CA-OE1 3.41Å; M1-E86 WeakPolarHBondContact CE-OE2 3.48Å; M1-E86 PolarHBondContact N-OE1 3.2Å; M1-E86 PolarHBondContact N-OE2 2.99Å; C3-E86 HydrophobicContact CB-CG 4.05Å; C3-E86 WeakPolarHBondContact CB-OE1 3.39Å; K82-E86 PolarHBondContact O-N 2.96Å; I83-E86 CarbonylContact O-C 3.59Å; I83-E86 WeakPolarHBondContact O-CA 3.39Å; I83-E86 PolarHBondContact O-N 2.59Å; E86-K88 PolarHBondContact O-N 2.68Å; E86-I253 HydrophobicContact CB-CD1 4.31Å; E86-I253 HydrophobicContact CG-CD1 4.05Å
87I98.3Very high98.3Very high1 Ų129.7 Ų29.71%0.00515%0.148CC..THydrogen-bonded Turntrans-83.918.6172.671.7-175.9000113.7R58 A60 I83 A84 L89 A162 Y251 I253R58-I87 WeakPolarHBondContact CD-O 3.32Å; R58-I87 HydrophobicContact CG-CD1 4.11Å; R58-I87 PolarHBondContact NH1-O 3.07Å; A60-I87 HydrophobicContact CB-CD1 4.48Å; A60-I87 HydrophobicContact CB-CG2 3.86Å; I83-I87 HydrophobicContact CG2-CG2 4.13Å; I83-I87 WeakPolarHBondContact O-CG1 3.37Å; I83-I87 WeakPolarHBondContact O-CG2 3.37Å; I83-I87 PolarHBondContact O-N 3.31Å; A84-I87 WeakPolarHBondContact O-CG1 3.26Å; I87-L89 HydrophobicContact CG1-CB 4.38Å; I87-L89 PolarHBondContact O-N 2.94Å; I87-A162 HydrophobicContact CD1-CB 3.64Å; I87-Y251 HydrophobicContact CB-CD1 4.13Å; I87-Y251 HydrophobicContact CB-CD2 3.68Å; I87-Y251 HydrophobicContact CB-CE2 4.1Å; I87-Y251 HydrophobicContact CB-CG 3.7Å; I87-Y251 HydrophobicContact CG2-CD1 4.27Å; I87-Y251 HydrophobicContact CG2-CD2 4.04Å; I87-Y251 HydrophobicContact CG2-CG 3.68Å; I87-Y251 WeakPolarHBondContact O-CE2 3.4Å; I87-Y251 VanDerWaalsContact O-CZ 3.3Å; I87-I253 HydrophobicContact CG2-CD1 3.74Å
88K98Very high98.3Very high129 Ų12927 Ų2756%0.56113%0.131SC*.THydrogen-bonded Turntrans5730.2178.5-49.6178.6-172.7169.40114.3E5 K85 E86 Y251E5-K88 IonicContact OE1-NZ 2.7Å; E5-K88 PolarHBondContact OE1-NZ 3.06Å; E5-K88 WeakPolarHBondContact OE2-CD 3.4Å; E5-K88 WeakPolarHBondContact OE2-CE 3.48Å; E5-K88 IonicContact OE2-NZ 3.99Å; E5-K88 PolarHBondContact OE2-NZ 3.3Å; K85-K88 PolarHBondContact O-N 2.61Å; E86-K88 PolarHBondContact O-N 2.68Å; K88-Y251 HydrophobicContact CD-CE1 4.26Å; K88-Y251 HydrophobicContact CG-CE1 4.2Å
89L97.8Very high98.2Very high10 Ų1027.4 Ų27.45%0.05214%0.136CC..  trans-137.768.3176.3-166.265.4000112.5K56 A84 I87 G91 A92 E164K56-L89 HydrophobicContact CB-CD1 4.12Å; K56-L89 HydrophobicContact CD-CD1 4.04Å; A84-L89 CarbonylContact O-C 3.59Å; A84-L89 WeakPolarHBondContact O-CA 3.36Å; A84-L89 PolarHBondContact O-N 2.78Å; A84-L89 VanDerWaalsContact O-O 3.12Å; I87-L89 HydrophobicContact CG1-CB 4.38Å; I87-L89 PolarHBondContact O-N 2.94Å; L89-G91 PolarHBondContact O-N 3.35Å; L89-A92 HydrophobicContact CB-CB 4.25Å; L89-A92 HydrophobicContact CD2-CB 3.8Å; L89-A92 HydrophobicContact CG-CB 3.9Å; L89-A92 VanDerWaalsContact O-CB 3.27Å; L89-A92 WeakPolarHBondContact O-CB 3.36Å; L89-A92 PolarHBondContact O-N 3.25Å; L89-E164 HydrophobicContact CD1-CG 4.09Å
90P97.4Very high98.2Very high78 Ų7826.1 Ų26.151%0.50613%0.13SC..THydrogen-bonded Turntrans-56.1134.7170.8-20.132.1000111K85 A92K85-P90 HydrophobicContact CG-CB 4.09Å; K85-P90 HydrophobicContact CG-CG 4.16Å; P90-A92 VanDerWaalsContact C-N 3.33Å
91G97.3Very high98.2Very high7 Ų726.1 Ų26.17%0.07213%0.13CC..THydrogen-bonded Turntrans77.414.6-173.500000115L89 Q116 T117 E118L89-G91 PolarHBondContact O-N 3.35Å; G91-Q116 PolarHBondContact O-NE2 3.08Å; G91-T117 WeakPolarHBondContact CA-OG1 3.46Å; G91-T117 PolarHBondContact N-OG1 2.97Å; G91-E118 PolarHBondContact N-O 3.15Å
92A98.3Very high98.1Very high0 Ų026.8 Ų26.80%013%0.132CC..  trans-52.1140.3168.800000112.1A84 L89 P90 I94 T117 A162 S163A84-A92 HydrophobicContact CB-CB 4.12Å; L89-A92 HydrophobicContact CB-CB 4.25Å; L89-A92 HydrophobicContact CD2-CB 3.8Å; L89-A92 HydrophobicContact CG-CB 3.9Å; L89-A92 VanDerWaalsContact O-CB 3.27Å; L89-A92 WeakPolarHBondContact O-CB 3.36Å; L89-A92 PolarHBondContact O-N 3.25Å; P90-A92 VanDerWaalsContact C-N 3.33Å; A92-I94 HydrophobicContact CB-CD1 4.5Å; A92-I94 HydrophobicContact CB-CG1 4.02Å; A92-T117 PolarHBondContact N-OG1 3.29Å; A92-T117 WeakPolarHBondContact O-CB 3.48Å; A92-T117 PolarHBondContact O-N 2.76Å; A92-T117 PolarHBondContact O-OG1 2.83Å; A92-A162 HydrophobicContact CB-CB 4.27Å; A92-S163 CarbonylContact C-O 3.5Å; A92-S163 VanDerWaalsContact CA-O 3.3Å; A92-S163 WeakPolarHBondContact CA-O 3.44Å
93F98.7Very high98.1Very high1 Ų123.9 Ų23.90%0.00412%0.12CC..EExtended strand (participates in β ladder)trans-83.2128.5153.3176.8-124.1000108.6F48 P49 V50 I53 L95 V114 I115 A162 S163F48-F93 HydrophobicContact CB-CE2 4.47Å; F48-F93 HydrophobicContact CB-CZ 3.94Å; F48-F93 HydrophobicContact CD2-CE1 4.02Å; F48-F93 AromaticContact CD2-CZ 3.65Å; F48-F93 HydrophobicContact CD2-CZ 3.65Å; F48-F93 HydrophobicContact CE2-CZ 4.29Å; F48-F93 AromaticContact CG-CZ 3.85Å; F48-F93 HydrophobicContact CG-CZ 3.85Å; P49-F93 HydrophobicContact CG-CD2 4.18Å; P49-F93 HydrophobicContact CG-CE2 3.81Å; V50-F93 HydrophobicContact CB-CG 4.43Å; V50-F93 HydrophobicContact CG1-CB 4.21Å; V50-F93 HydrophobicContact CG1-CD2 4.12Å; V50-F93 HydrophobicContact CG1-CG 4.18Å; V50-F93 HydrophobicContact CG2-CB 4.05Å; V50-F93 HydrophobicContact CG2-CD1 3.33Å; V50-F93 HydrophobicContact CG2-CD2 3.67Å; V50-F93 HydrophobicContact CG2-CE1 3.52Å; V50-F93 HydrophobicContact CG2-CE2 3.88Å; V50-F93 HydrophobicContact CG2-CG 3.39Å; V50-F93 HydrophobicContact CG2-CZ 3.79Å; I53-F93 HydrophobicContact CG2-CE1 4.28Å; F93-L95 HydrophobicContact CD1-CG 4.47Å; F93-L95 HydrophobicContact CE1-CD1 3.84Å; F93-L95 HydrophobicContact CE1-CD2 3.93Å; F93-L95 HydrophobicContact CE1-CG 3.66Å; F93-L95 HydrophobicContact CE2-CD2 4.14Å; F93-L95 HydrophobicContact CZ-CD1 4.18Å; F93-L95 HydrophobicContact CZ-CD2 3.43Å; F93-L95 VanDerWaalsContact CZ-CD2 3.43Å; F93-L95 HydrophobicContact CZ-CG 3.73Å; F93-V114 HydrophobicContact CE2-CG1 4.1Å; F93-V114 HydrophobicContact CZ-CG1 4.29Å; F93-I115 CarbonylContact C-O 3.54Å; F93-I115 WeakPolarHBondContact CA-O 3.37Å; F93-I115 WeakPolarHBondContact CD2-O 3.41Å; F93-A162 VanDerWaalsContact O-CA 3.31Å; F93-A162 WeakPolarHBondContact O-CA 3.32Å; F93-S163 PolarHBondContact N-O 3.05Å; F93-S163 PolarHBondContact O-N 2.73Å
94I98.9Very high98Very high1 Ų126.3 Ų26.31%0.00514%0.135CC..EExtended strand (participates in β ladder)trans-120132.1-175.5-60.3-177.8000109.9A84 A92 I115 T117 L160 F161 A162A84-I94 HydrophobicContact CB-CD1 4.28Å; A92-I94 HydrophobicContact CB-CD1 4.5Å; A92-I94 HydrophobicContact CB-CG1 4.02Å; I94-I115 PolarHBondContact N-O 2.94Å; I94-I115 PolarHBondContact O-N 3.41Å; I94-T117 HydrophobicContact CD1-CG2 3.78Å; I94-T117 HydrophobicContact CG1-CG2 4.28Å; I94-L160 HydrophobicContact CG2-CB 4.08Å; I94-L160 HydrophobicContact CG2-CD1 4.27Å; I94-L160 HydrophobicContact CG2-CD2 3.86Å; I94-L160 HydrophobicContact CG2-CG 4.29Å; I94-F161 WeakPolarHBondContact CA-O 3.27Å; I94-A162 HydrophobicContact CG1-CB 4.14Å
95L98.9Very high97.9Very high18 Ų1827.4 Ų27.49%0.09414%0.141CC..EExtended strand (participates in β ladder)trans-123.5165.3169.2-67.4-178.4000110.1F48 I53 F93 P113 V114 L160 F161 L200F48-L95 HydrophobicContact CD2-CD1 4.5Å; F48-L95 HydrophobicContact CD2-CD2 4.47Å; F48-L95 HydrophobicContact CE1-CD2 4.26Å; F48-L95 HydrophobicContact CE2-CD1 3.74Å; F48-L95 HydrophobicContact CE2-CD2 4.02Å; F48-L95 HydrophobicContact CZ-CD1 4.14Å; F48-L95 HydrophobicContact CZ-CD2 3.9Å; I53-L95 HydrophobicContact CG2-CD1 4.01Å; F93-L95 HydrophobicContact CD1-CG 4.47Å; F93-L95 HydrophobicContact CE1-CD1 3.84Å; F93-L95 HydrophobicContact CE1-CD2 3.93Å; F93-L95 HydrophobicContact CE1-CG 3.66Å; F93-L95 HydrophobicContact CE2-CD2 4.14Å; F93-L95 HydrophobicContact CZ-CD1 4.18Å; F93-L95 HydrophobicContact CZ-CD2 3.43Å; F93-L95 VanDerWaalsContact CZ-CD2 3.43Å; F93-L95 HydrophobicContact CZ-CG 3.73Å; L95-P113 VanDerWaalsContact CA-O 3.32Å; L95-P113 WeakPolarHBondContact CA-O 3.29Å; L95-V114 HydrophobicContact CD2-CB 4.29Å; L95-V114 HydrophobicContact CD2-CG1 4.07Å; L95-V114 HydrophobicContact CD2-CG2 3.97Å; L95-L160 CarbonylContact O-C 3.5Å; L95-L160 WeakPolarHBondContact O-CA 3.39Å; L95-F161 PolarHBondContact N-O 2.8Å; L95-F161 PolarHBondContact O-N 3.45Å; L95-L200 HydrophobicContact CD1-CD2 4.38Å; L95-L200 HydrophobicContact CD2-CD2 3.89Å; L95-L200 HydrophobicContact CG-CD2 4.5Å
96G98.6Very high97.8Very high0 Ų026.2 Ų26.20%016%0.156CC..EExtended strand (participates in β ladder)trans144.7-145.3165.700000114.2P113 N159 L200G96-P113 WeakPolarHBondContact O-CD 3.38Å; G96-N159 WeakPolarHBondContact CA-O 3.22Å; G96-L200 CarbonylContact C-O 3.56Å; G96-L200 VanDerWaalsContact O-CB 3.28Å; G96-L200 WeakPolarHBondContact O-CB 3.24Å
97A98.7Very high97.7Very high0 Ų027.3 Ų27.30%016%0.16CC..EExtended strand (participates in β ladder)trans-135.8160.9-17500000111.8A158 N159 H216 H218A97-A158 CarbonylContact O-C 3.57Å; A97-A158 WeakPolarHBondContact O-CA 3.27Å; A97-N159 PolarHBondContact N-O 3.05Å; A97-N159 PolarHBondContact O-N 3.16Å; A97-H216 HydrophobicContact CB-CB 4.33Å; A97-H216 VanDerWaalsContact CB-CD2 3.48Å; A97-H216 WeakPolarHBondContact CB-CD2 3.35Å; A97-H218 HydrophobicContact CB-CB 3.73Å; A97-H218 VanDerWaalsContact CB-CG 3.44Å
98G98.3Very high97.5Very high1 Ų132.6 Ų32.61%0.0119%0.188CC..EExtended strand (participates in β ladder)trans162.1175.2177.600000113.9F111 L157 H218G98-F111 PolarHBondContact N-O 3.48Å; G98-F111 WeakPolarHBondContact O-CA 3.17Å; G98-F111 WeakPolarHBondContact O-CB 3.38Å; G98-F111 PolarHBondContact O-N 2.89Å; G98-L157 VanDerWaalsContact CA-O 3.23Å; G98-L157 WeakPolarHBondContact CA-O 3.24Å; G98-H218 PolarHBondContact N-ND1 2.79Å; G98-H218 PolarHBondContact O-CE1 3.16Å; G98-H218 VanDerWaalsContact O-CE1 3.23Å
99A97.8Very high97.5Very high15 Ų1526.9 Ų26.912%0.12416%0.164CC..EExtended strand (participates in β ladder)trans-84.8138.2179.100000112.1A155 L156 L157A99-A155 WeakPolarHBondContact CB-O 3.32Å; A99-A155 PolarHBondContact O-N 3.12Å; A99-A155 VanDerWaalsContact O-N 3.08Å; A99-L156 HydrophobicContact CB-CB 4.38Å; A99-L157 HydrophobicContact CB-CG 4.49Å; A99-L157 PolarHBondContact N-O 2.89Å
100G98.1Very high97.5Very high1 Ų129.7 Ų29.71%0.0118%0.177CC..  trans-69153.3-176.200000113.4F102 S109G100-F102 PolarHBondContact O-N 3.31Å; G100-S109 WeakPolarHBondContact CA-O 3.39Å; G100-S109 PolarHBondContact N-O 3.38Å
101P97.9Very high97.6Very high0 Ų026 Ų260%015%0.153CC..  trans-75.784.3-176.932-35.9000111.7Q103 T104 L105 Y145 Q153P101-Q103 VanDerWaalsContact C-OE1 3.26Å; P101-Q103 PolarHBondContact O-N 3.2Å; P101-T104 WeakPolarHBondContact CB-OG1 3.04Å; P101-T104 WeakPolarHBondContact CG-OG1 3.41Å; P101-T104 PolarHBondContact O-N 3.19Å; P101-T104 PolarHBondContact O-OG1 3.36Å; P101-T104 VanDerWaalsContact O-OG1 3.09Å; P101-L105 HydrophobicContact CG-CD1 4.29Å; P101-L105 HydrophobicContact CG-CG 4.43Å; P101-L105 PolarHBondContact O-N 3.33Å; P101-Y145 HydrophobicContact CG-CD2 4.44Å; P101-Y145 HydrophobicContact CG-CE2 3.44Å; P101-Y145 VanDerWaalsContact CG-CE2 3.44Å; P101-Y145 WeakPolarHBondContact CG-OH 3.17Å; P101-Q153 HydrophobicContact CB-CB 3.53Å; P101-Q153 HydrophobicContact CG-CB 4.04Å; P101-Q153 WeakPolarHBondContact CG-O 3.36Å
102F96.3Very high97.7Very high31 Ų3125.7 Ų25.714%0.13615%0.15CC..Hα-helixtrans-54.8-23.9172.357-101.9000112.6Q74 V77 G100 T104 G106 F107 A155 L156Q74-F102 HydrophobicContact CB-CE2 3.85Å; Q74-F102 HydrophobicContact CB-CZ 3.95Å; Q74-F102 HydrophobicContact CG-CE2 4.11Å; Q74-F102 HydrophobicContact CG-CZ 4.17Å; V77-F102 HydrophobicContact CG1-CE2 4.37Å; V77-F102 HydrophobicContact CG1-CZ 4.17Å; G100-F102 PolarHBondContact O-N 3.31Å; F102-T104 VanDerWaalsContact C-N 3.27Å; F102-T104 PolarHBondContact O-N 3Å; F102-G106 VanDerWaalsContact O-CA 3.27Å; F102-G106 WeakPolarHBondContact O-CA 3.46Å; F102-G106 PolarHBondContact O-N 3.43Å; F102-F107 WeakPolarHBondContact CA-O 3.29Å; F102-F107 WeakPolarHBondContact CB-O 3.42Å; F102-A155 HydrophobicContact CD1-CB 3.9Å; F102-A155 HydrophobicContact CE1-CB 3.34Å; F102-A155 HydrophobicContact CZ-CB 3.9Å; F102-L156 HydrophobicContact CE1-CD1 4.25Å; F102-L156 HydrophobicContact CE1-CD2 3.85Å; F102-L156 HydrophobicContact CE1-CG 3.92Å; F102-L156 HydrophobicContact CZ-CD2 4.2Å
103Q97.3Very high97.7Very high65 Ų6525.8 Ų25.830%0.30415%0.15SC..Hα-helixtrans-71.3-14.6176.574.6-80.612.600114.6V77 P101 C154V77-Q103 HydrophobicContact CB-CG 4.36Å; V77-Q103 HydrophobicContact CG1-CB 4.22Å; V77-Q103 HydrophobicContact CG1-CG 3.87Å; P101-Q103 VanDerWaalsContact C-OE1 3.26Å; P101-Q103 PolarHBondContact O-N 3.2Å; Q103-C154 PolarHBondContact NE2-O 2.84Å; Q103-C154 VanDerWaalsContact NE2-O 3.1Å
104T96.7Very high97.7Very high53 Ų5325.9 Ų25.933%0.32515%0.151SC..Hα-helixtrans-115.5-38.4173.454.50000112.2P101 F102 Y145 Q153P101-T104 WeakPolarHBondContact CB-OG1 3.04Å; P101-T104 WeakPolarHBondContact CG-OG1 3.41Å; P101-T104 PolarHBondContact O-N 3.19Å; P101-T104 PolarHBondContact O-OG1 3.36Å; P101-T104 VanDerWaalsContact O-OG1 3.09Å; F102-T104 VanDerWaalsContact C-N 3.27Å; F102-T104 PolarHBondContact O-N 3Å; T104-Y145 PolarHBondContact OG1-OH 2.9Å; T104-Q153 HydrophobicContact CG2-CB 4.33Å; T104-Q153 HydrophobicContact CG2-CG 3.97Å
105L96.3Very high97.7Very high22 Ų2225.9 Ų25.912%0.11515%0.151CC..Hα-helixtrans-77-30.9178.9-65.7172.1000113.2P101 F107 S109 F130 Y145 K148P101-L105 HydrophobicContact CG-CD1 4.29Å; P101-L105 HydrophobicContact CG-CG 4.43Å; P101-L105 PolarHBondContact O-N 3.33Å; L105-F107 VanDerWaalsContact C-N 3.32Å; L105-F107 HydrophobicContact CB-CD1 4.3Å; L105-F107 HydrophobicContact CB-CD2 4.44Å; L105-F107 HydrophobicContact CB-CE1 4.04Å; L105-F107 HydrophobicContact CB-CE2 4.17Å; L105-F107 HydrophobicContact CB-CG 4.5Å; L105-F107 HydrophobicContact CB-CZ 3.97Å; L105-F107 HydrophobicContact CD1-CE2 4.37Å; L105-F107 HydrophobicContact CD2-CZ 4.29Å; L105-F107 WeakPolarHBondContact O-CD1 3.34Å; L105-F107 WeakPolarHBondContact O-CE1 3.42Å; L105-S109 VanDerWaalsContact CD1-OG 3.29Å; L105-S109 WeakPolarHBondContact CD1-OG 3.29Å; L105-F130 HydrophobicContact CD1-CB 4.45Å; L105-F130 HydrophobicContact CD1-CD1 4.32Å; L105-F130 HydrophobicContact CD1-CD2 3.96Å; L105-F130 HydrophobicContact CD1-CE2 4.29Å; L105-F130 HydrophobicContact CD1-CG 3.98Å; L105-F130 HydrophobicContact CD2-CD1 4.27Å; L105-F130 HydrophobicContact CD2-CE1 3.83Å; L105-F130 HydrophobicContact CD2-CE2 4.18Å; L105-F130 HydrophobicContact CD2-CZ 3.78Å; L105-Y145 HydrophobicContact CD1-CD2 4.48Å; L105-Y145 HydrophobicContact CD1-CE2 4.28Å; L105-Y145 HydrophobicContact CD2-CD2 4.14Å; L105-Y145 HydrophobicContact CD2-CE2 3.95Å; L105-Y145 HydrophobicContact CG-CE2 4.04Å; L105-K148 HydrophobicContact CD2-CB 4.35Å
106G96.6Very high97.7Very high69 Ų6925.4 Ų25.471%0.71115%0.148SC*.SBendtrans83.40.9-174.400000115F102F102-G106 VanDerWaalsContact O-CA 3.27Å; F102-G106 WeakPolarHBondContact O-CA 3.46Å; F102-G106 PolarHBondContact O-N 3.43Å
107F94.9Very high97.6Very high72 Ų7225.4 Ų25.432%0.31615%0.148SC..SBendtrans-147.5161.6179.752.4-94000111.6F102 L105 F130 H132F102-F107 WeakPolarHBondContact CA-O 3.29Å; F102-F107 WeakPolarHBondContact CB-O 3.42Å; L105-F107 VanDerWaalsContact C-N 3.32Å; L105-F107 HydrophobicContact CB-CD1 4.3Å; L105-F107 HydrophobicContact CB-CD2 4.44Å; L105-F107 HydrophobicContact CB-CE1 4.04Å; L105-F107 HydrophobicContact CB-CE2 4.17Å; L105-F107 HydrophobicContact CB-CG 4.5Å; L105-F107 HydrophobicContact CB-CZ 3.97Å; L105-F107 HydrophobicContact CD1-CE2 4.37Å; L105-F107 HydrophobicContact CD2-CZ 4.29Å; L105-F107 WeakPolarHBondContact O-CD1 3.34Å; L105-F107 WeakPolarHBondContact O-CE1 3.42Å; F107-F130 HydrophobicContact CE2-CD2 4.06Å; F107-F130 AromaticContact CE2-CE2 3.62Å; F107-F130 HydrophobicContact CE2-CE2 3.62Å; F107-F130 HydrophobicContact CZ-CD2 4.49Å; F107-F130 AromaticContact CZ-CE2 3.64Å; F107-F130 HydrophobicContact CZ-CE2 3.64Å; F107-F130 HydrophobicContact CZ-CZ 4.21Å; F107-H132 HydrophobicContact CD2-CB 4.01Å; F107-H132 AromaticContact CD2-ND1 3.99Å; F107-H132 HydrophobicContact CE2-CB 3.93Å; F107-H132 AromaticContact CE2-CD2 3.73Å; F107-H132 AromaticContact CE2-CE1 3.9Å; F107-H132 AromaticContact CE2-CG 3.57Å; F107-H132 AromaticContact CE2-ND1 3.7Å; F107-H132 AromaticContact CE2-NE2 3.93Å
108N95.5Very high97.5Very high111 Ų11129.3 Ų29.359%0.59417%0.166SC*.  trans-73.9143.2175.1-67.51.3000110.6
109S97.4Very high97.3Very high9 Ų931.1 Ų31.16%0.06318%0.179CC..  trans-155.2155.9176.943.90000110.7G100 L105 A131G100-S109 WeakPolarHBondContact CA-O 3.39Å; G100-S109 PolarHBondContact N-O 3.38Å; L105-S109 VanDerWaalsContact CD1-OG 3.29Å; L105-S109 WeakPolarHBondContact CD1-OG 3.29Å; S109-A131 CarbonylContact C-O 3.27Å; S109-A131 WeakPolarHBondContact CA-O 3.48Å; S109-A131 WeakPolarHBondContact CB-O 3.46Å
110E98.4Very high96.8Very high69 Ų6939.1 Ų39.132%0.32221%0.214SC..EExtended strand (participates in β ladder)trans-80.6137.4163.9-57.5-44.4142.700109.5F130 A131 H218E110-F130 CarbonylContact O-C 3.59Å; E110-F130 WeakPolarHBondContact O-CA 3.35Å; E110-A131 PolarHBondContact N-O 3.05Å; E110-A131 PolarHBondContact O-N 2.93Å; E110-H218 IonicContact OE2-CE1 2.61Å; E110-H218 PolarHBondContact OE2-CE1 3.42Å; E110-H218 IonicContact OE2-NE2 3.05Å
111F98.8Very high96.3Very high2 Ų247.3 Ų47.31%0.00925%0.251CS..EExtended strand (participates in β ladder)trans-111.4132.5-174.4-155.8-118.2000111.8L80 G98 P113 F130 Y145 C154 H218L80-F111 HydrophobicContact CD1-CE1 3.9Å; G98-F111 PolarHBondContact N-O 3.48Å; G98-F111 WeakPolarHBondContact O-CA 3.17Å; G98-F111 WeakPolarHBondContact O-CB 3.38Å; G98-F111 PolarHBondContact O-N 2.89Å; F111-P113 VanDerWaalsContact C-CD 3.41Å; F111-P113 HydrophobicContact CD1-CB 4.05Å; F111-P113 HydrophobicContact CD1-CG 4.31Å; F111-P113 HydrophobicContact CE1-CB 4.04Å; F111-P113 WeakPolarHBondContact O-CD 3.48Å; F111-F130 HydrophobicContact CD2-CB 4.01Å; F111-F130 HydrophobicContact CE2-CB 4.48Å; F111-Y145 HydrophobicContact CE2-CD1 4.5Å; F111-Y145 AromaticContact CE2-CD2 3.73Å; F111-Y145 HydrophobicContact CE2-CD2 3.73Å; F111-Y145 HydrophobicContact CE2-CE2 4.25Å; F111-Y145 AromaticContact CE2-CG 3.86Å; F111-Y145 HydrophobicContact CE2-CG 3.86Å; F111-Y145 HydrophobicContact CZ-CD1 4.36Å; F111-Y145 HydrophobicContact CZ-CD2 4.36Å; F111-Y145 HydrophobicContact CZ-CG 4.14Å; F111-C154 HydrophobicContact CD1-CB 4.29Å; F111-C154 HydrophobicContact CE1-CB 4.5Å; F111-H218 PolarHBondContact O-ND1 2.88Å
112M98.8Very high95.3Very high0 Ų050.3 Ų50.30%026%0.264CS..EExtended strand (participates in β ladder)trans-112.778.7176.3-74.16880.500107.7V114 S128 Y129 A131 L142 L200 H218 F219 F220M112-V114 PolarHBondContact O-N 3.13Å; M112-S128 VanDerWaalsContact O-CA 3.24Å; M112-S128 WeakPolarHBondContact O-CA 3.4Å; M112-S128 VanDerWaalsContact O-CB 3.25Å; M112-S128 WeakPolarHBondContact O-CB 3.39Å; M112-Y129 PolarHBondContact N-O 2.8Å; M112-Y129 PolarHBondContact O-N 3.49Å; M112-Y129 VanDerWaalsContact O-N 3.16Å; M112-A131 HydrophobicContact CE-CB 3.84Å; M112-L142 HydrophobicContact CE-CD1 3.44Å; M112-L142 VanDerWaalsContact CE-CD1 3.44Å; M112-L200 HydrophobicContact CB-CD1 3.98Å; M112-H218 HydrophobicContact CG-CB 3.85Å; M112-H218 HydrophobicContact SD-CB 3.93Å; M112-F219 WeakPolarHBondContact CE-O 3.48Å; M112-F219 WeakPolarHBondContact CG-O 3.23Å; M112-F220 HydrophobicContact CB-CD1 4.22Å; M112-F220 HydrophobicContact CE-CB 4.34Å; M112-F220 HydrophobicContact CG-CB 4.35Å; M112-F220 HydrophobicContact CG-CD1 4.38Å
113P98.8Very high95.1Very high2 Ų253.9 Ų53.91%0.01329%0.29CS..  trans-60.5121.6-179.123.1-33.3000111.1L80 L95 G96 F111 S128 L160L80-P113 HydrophobicContact CD1-CB 4.21Å; L95-P113 VanDerWaalsContact CA-O 3.32Å; L95-P113 WeakPolarHBondContact CA-O 3.29Å; G96-P113 WeakPolarHBondContact O-CD 3.38Å; F111-P113 VanDerWaalsContact C-CD 3.41Å; F111-P113 HydrophobicContact CD1-CB 4.05Å; F111-P113 HydrophobicContact CD1-CG 4.31Å; F111-P113 HydrophobicContact CE1-CB 4.04Å; F111-P113 WeakPolarHBondContact O-CD 3.48Å; P113-S128 WeakPolarHBondContact CA-OG 3.32Å; P113-L160 HydrophobicContact CB-CD2 4.29Å; P113-L160 HydrophobicContact CG-CD2 3.7Å
114V98.8Very high95.1Very high3 Ų353 Ų532%0.01829%0.291CS..EExtended strand (participates in β ladder)trans-135.385.5173-178.20000107.6F48 F93 L95 M112 G127 S128 L200 F220F48-V114 HydrophobicContact CD1-CG1 3.56Å; F48-V114 HydrophobicContact CE1-CG1 4.02Å; F48-V114 HydrophobicContact CE1-CG2 4.27Å; F48-V114 HydrophobicContact CG-CG1 4.16Å; F93-V114 HydrophobicContact CE2-CG1 4.1Å; F93-V114 HydrophobicContact CZ-CG1 4.29Å; L95-V114 HydrophobicContact CD2-CB 4.29Å; L95-V114 HydrophobicContact CD2-CG1 4.07Å; L95-V114 HydrophobicContact CD2-CG2 3.97Å; M112-V114 PolarHBondContact O-N 3.13Å; V114-G127 CarbonylContact O-C 3.59Å; V114-G127 WeakPolarHBondContact O-CA 3.43Å; V114-G127 PolarHBondContact O-N 2.88Å; V114-S128 PolarHBondContact N-OG 2.79Å; V114-S128 PolarHBondContact O-N 3.42Å; V114-L200 HydrophobicContact CG2-CD1 3.68Å; V114-F220 HydrophobicContact CG2-CE1 4.1Å
115I98.6Very high95.1Very high0 Ų053.8 Ų53.80%030%0.295CS..EExtended strand (participates in β ladder)trans-130.5119.9-163-54.1-171000111.9L80 F93 I94 T117 V125 S128 F152L80-I115 HydrophobicContact CB-CD1 3.98Å; L80-I115 HydrophobicContact CD1-CD1 3.44Å; L80-I115 VanDerWaalsContact CD1-CD1 3.44Å; L80-I115 HydrophobicContact CG-CD1 4.32Å; F93-I115 CarbonylContact C-O 3.54Å; F93-I115 WeakPolarHBondContact CA-O 3.37Å; F93-I115 WeakPolarHBondContact CD2-O 3.41Å; I94-I115 PolarHBondContact N-O 2.94Å; I94-I115 PolarHBondContact O-N 3.41Å; I115-T117 HydrophobicContact CG2-CG2 3.73Å; I115-V125 WeakPolarHBondContact CA-O 3.47Å; I115-S128 WeakPolarHBondContact CG1-OG 3.31Å; I115-F152 HydrophobicContact CD1-CD1 4.28Å; I115-F152 HydrophobicContact CG2-CD1 3.68Å; I115-F152 HydrophobicContact CG2-CE1 3.97Å
116Q98.4Very high95.3Very high8 Ų853.6 Ų53.64%0.03729%0.294CS..EExtended strand (participates in β ladder)trans-81.5109.9156171.656.883.500107P49 V50 G91 K122 P124 V125P49-Q116 HydrophobicContact CB-CB 4.16Å; P49-Q116 HydrophobicContact CG-CB 4.03Å; V50-Q116 HydrophobicContact CG1-CB 4.36Å; G91-Q116 PolarHBondContact O-NE2 3.08Å; Q116-K122 VanDerWaalsContact CD-CD 3.47Å; Q116-K122 HydrophobicContact CG-CD 4.33Å; Q116-P124 CarbonylContact O-C 3.53Å; Q116-P124 WeakPolarHBondContact O-CA 3.32Å; Q116-P124 WeakPolarHBondContact O-CB 3.27Å; Q116-V125 HydrophobicContact CB-CB 4.28Å; Q116-V125 PolarHBondContact N-O 2.93Å; Q116-V125 PolarHBondContact O-N 2.84Å
117T98.1Very high95.3Very high0 Ų051.3 Ų51.30%027%0.271CS..  trans-78.1171.6178.961.20000111.9A84 G91 A92 I94 I115A84-T117 HydrophobicContact CB-CG2 3.89Å; A84-T117 WeakPolarHBondContact CB-OG1 3.03Å; G91-T117 WeakPolarHBondContact CA-OG1 3.46Å; G91-T117 PolarHBondContact N-OG1 2.97Å; A92-T117 PolarHBondContact N-OG1 3.29Å; A92-T117 WeakPolarHBondContact O-CB 3.48Å; A92-T117 PolarHBondContact O-N 2.76Å; A92-T117 PolarHBondContact O-OG1 2.83Å; I94-T117 HydrophobicContact CD1-CG2 3.78Å; I94-T117 HydrophobicContact CG1-CG2 4.28Å; I115-T117 HydrophobicContact CG2-CG2 3.73Å
118E96.4Very high95.5Very high83 Ų8347.9 Ų47.939%0.38826%0.256SS..  trans-78.5139.7-172-177.5-170.7-131.500112.1N81 K85 G91 P124N81-E118 PolarHBondContact ND2-OE2 2.9Å; N81-E118 WeakPolarHBondContact OD1-CB 3.46Å; N81-E118 PolarHBondContact OD1-N 3.36Å; K85-E118 IonicContact NZ-OE2 3.39Å; K85-E118 PolarHBondContact NZ-OE2 2.86Å; G91-E118 PolarHBondContact N-O 3.15Å; E118-P124 HydrophobicContact CB-CB 4.09Å; E118-P124 HydrophobicContact CB-CG 4.14Å
119S92.4Very high95.7Very high38 Ų3844 Ų4427%0.26623%0.233SC..BIsolated β-bridgetrans-146.1170.2165.766.10000111.3H121 K122S119-H121 PolarHBondContact O-N 3.01Å; S119-H121 PolarHBondContact OG-N 2.95Å; S119-K122 PolarHBondContact N-O 2.9Å; S119-K122 PolarHBondContact O-N 2.84Å; S119-K122 VanDerWaalsContact O-O 3.12Å; S119-K122 PolarHBondContact OG-N 2.93Å; S119-K122 VanDerWaalsContact OG-N 3.11Å
120E88.3Confident95.8Very high184 Ų18443.5 Ų43.586%0.8623%0.23SC*.THydrogen-bonded Turntrans-60.2-10.2174.5-59-177.6178.300113.9
121H87.2Confident95.7Very high173 Ų17340.6 Ų40.680%0.80122%0.217SC*.THydrogen-bonded Turntrans-125.9-10.4-174.3-55.2-18.1000113.9S119S119-H121 PolarHBondContact O-N 3.01Å; S119-H121 PolarHBondContact OG-N 2.95Å
122K78.4Confident95.7Very high62 Ų6241.9 Ų41.927%0.2722%0.224SC..BIsolated β-bridgetrans-135.5124.9178-63.1-176.7-179.1173.60110.1Q116 S119 E164Q116-K122 VanDerWaalsContact CD-CD 3.47Å; Q116-K122 HydrophobicContact CG-CD 4.33Å; S119-K122 PolarHBondContact N-O 2.9Å; S119-K122 PolarHBondContact O-N 2.84Å; S119-K122 VanDerWaalsContact O-O 3.12Å; S119-K122 PolarHBondContact OG-N 2.93Å; S119-K122 VanDerWaalsContact OG-N 3.11Å; K122-E164 PolarHBondContact NZ-O 3.3Å
123P90.9Very high95.4Very high106 Ų10644.9 Ų44.969%0.68824%0.241SC*.  trans-64.6145.9166.230.2-34.1000109.4
124P96.8Very high95.1Very high47 Ų4746 Ų4631%0.30525%0.248SC..  trans-74.4149.4179.432.3-35.8000111.5Q116 E118 F152Q116-P124 CarbonylContact O-C 3.53Å; Q116-P124 WeakPolarHBondContact O-CA 3.32Å; Q116-P124 WeakPolarHBondContact O-CB 3.27Å; E118-P124 HydrophobicContact CB-CB 4.09Å; E118-P124 HydrophobicContact CB-CG 4.14Å; P124-F152 HydrophobicContact CB-CE1 3.89Å; P124-F152 HydrophobicContact CB-CE2 4.36Å; P124-F152 HydrophobicContact CB-CZ 3.53Å; P124-F152 HydrophobicContact CG-CE2 4.32Å; P124-F152 HydrophobicContact CG-CZ 3.79Å
125V98.4Very high94.8Very high70 Ų7051.8 Ų51.842%0.42429%0.285SS..EExtended strand (participates in β ladder)trans-135.8119.5175.6-175.80000108.9P49 I115 Q116P49-V125 HydrophobicContact CB-CB 3.92Å; P49-V125 HydrophobicContact CB-CG1 3.9Å; I115-V125 WeakPolarHBondContact CA-O 3.47Å; Q116-V125 HydrophobicContact CB-CB 4.28Å; Q116-V125 PolarHBondContact N-O 2.93Å; Q116-V125 PolarHBondContact O-N 2.84Å
126N98.6Very high94.6Very high17 Ų1756 Ų569%0.09132%0.319CS..EExtended strand (participates in β ladder)trans-9899.3173.6-165.2-18.1000109.8S128 Y145 S146 D151 F152N126-S128 WeakPolarHBondContact OD1-CB 3.32Å; N126-S128 PolarHBondContact OD1-N 3.45Å; N126-S128 VanDerWaalsContact OD1-N 3.14Å; N126-S128 PolarHBondContact OD1-OG 2.91Å; N126-Y145 VanDerWaalsContact ND2-CD1 3.33Å; N126-Y145 WeakPolarHBondContact ND2-CD1 3.45Å; N126-S146 VanDerWaalsContact O-CB 3.27Å; N126-S146 WeakPolarHBondContact O-CB 3.28Å; N126-S146 PolarHBondContact O-OG 2.96Å; N126-D151 PolarHBondContact ND2-O 3.29Å; N126-F152 HydrophobicContact CB-CD1 4.17Å; N126-F152 HydrophobicContact CB-CE1 3.82Å
127G98.4Very high94.4Very high22 Ų2261.3 Ų61.323%0.22735%0.348CS..  trans-97.312.8175.200000113.6V114V114-G127 CarbonylContact O-C 3.59Å; V114-G127 WeakPolarHBondContact O-CA 3.43Å; V114-G127 PolarHBondContact O-N 2.88Å
128S98.8Very high94.1Very high0 Ų062.8 Ų62.80%036%0.363CS..  trans-65.7152-174.3-46.70000112.5M112 P113 V114 I115 N126 Y145M112-S128 VanDerWaalsContact O-CA 3.24Å; M112-S128 WeakPolarHBondContact O-CA 3.4Å; M112-S128 VanDerWaalsContact O-CB 3.25Å; M112-S128 WeakPolarHBondContact O-CB 3.39Å; P113-S128 WeakPolarHBondContact CA-OG 3.32Å; V114-S128 PolarHBondContact N-OG 2.79Å; V114-S128 PolarHBondContact O-N 3.42Å; I115-S128 WeakPolarHBondContact CG1-OG 3.31Å; N126-S128 WeakPolarHBondContact OD1-CB 3.32Å; N126-S128 PolarHBondContact OD1-N 3.45Å; N126-S128 VanDerWaalsContact OD1-N 3.14Å; N126-S128 PolarHBondContact OD1-OG 2.91Å; S128-Y145 WeakPolarHBondContact O-CB 3.41Å; S128-Y145 PolarHBondContact O-N 3.36Å
129Y98.8Very high94Very high28 Ų2859.8 Ų59.811%0.1136%0.355CS..EExtended strand (participates in β ladder)trans-110161169.5-60.8-102.5000110.1M112 L142 E143 K144 F220M112-Y129 PolarHBondContact N-O 2.8Å; M112-Y129 PolarHBondContact O-N 3.49Å; M112-Y129 VanDerWaalsContact O-N 3.16Å; Y129-L142 HydrophobicContact CD1-CD1 4.27Å; Y129-L142 HydrophobicContact CD1-CD2 4.43Å; Y129-L142 HydrophobicContact CD1-CG 4.22Å; Y129-L142 HydrophobicContact CG-CD1 4.36Å; Y129-E143 CarbonylContact C-O 3.51Å; Y129-E143 WeakPolarHBondContact CA-O 3.38Å; Y129-K144 HydrophobicContact CD1-CG 3.67Å; Y129-K144 HydrophobicContact CE1-CD 4.16Å; Y129-K144 HydrophobicContact CE1-CG 3.39Å; Y129-K144 HydrophobicContact CG-CG 4.46Å; Y129-K144 WeakPolarHBondContact OH-CE 3.5Å; Y129-F220 HydrophobicContact CD1-CB 4.46Å; Y129-F220 HydrophobicContact CD1-CD2 4.47Å; Y129-F220 HydrophobicContact CD2-CB 4.02Å; Y129-F220 AromaticContact CD2-CD1 3.85Å; Y129-F220 HydrophobicContact CD2-CD1 3.85Å; Y129-F220 AromaticContact CD2-CD2 3.63Å; Y129-F220 HydrophobicContact CD2-CD2 3.63Å; Y129-F220 HydrophobicContact CD2-CE1 4.18Å; Y129-F220 AromaticContact CD2-CE2 3.99Å; Y129-F220 HydrophobicContact CD2-CE2 3.99Å; Y129-F220 AromaticContact CD2-CG 3.55Å; Y129-F220 HydrophobicContact CD2-CG 3.55Å; Y129-F220 HydrophobicContact CD2-CZ 4.25Å; Y129-F220 HydrophobicContact CE1-CD2 4.25Å; Y129-F220 HydrophobicContact CE2-CD1 4.22Å; Y129-F220 AromaticContact CE2-CD2 3.38Å; Y129-F220 HydrophobicContact CE2-CD2 3.38Å; Y129-F220 HydrophobicContact CE2-CE1 4.2Å; Y129-F220 AromaticContact CE2-CE2 3.38Å; Y129-F220 HydrophobicContact CE2-CE2 3.38Å; Y129-F220 AromaticContact CE2-CG 3.83Å; Y129-F220 HydrophobicContact CE2-CG 3.83Å; Y129-F220 AromaticContact CE2-CZ 3.8Å; Y129-F220 HydrophobicContact CE2-CZ 3.8Å; Y129-F220 HydrophobicContact CG-CB 3.96Å; Y129-F220 HydrophobicContact CG-CD2 4.19Å; Y129-F220 HydrophobicContact CG-CG 4.01Å; Y129-F220 AromaticContact CZ-CD2 3.72Å; Y129-F220 AromaticContact CZ-CE2 3.83Å
130F98.8Very high94.2Very high0 Ų059.6 Ų59.60%035%0.353CS..EExtended strand (participates in β ladder)trans-135.1147165.968.4-87.6000110.1L105 F107 E110 F111 H132 E143 Y145 K148L105-F130 HydrophobicContact CD1-CB 4.45Å; L105-F130 HydrophobicContact CD1-CD1 4.32Å; L105-F130 HydrophobicContact CD1-CD2 3.96Å; L105-F130 HydrophobicContact CD1-CE2 4.29Å; L105-F130 HydrophobicContact CD1-CG 3.98Å; L105-F130 HydrophobicContact CD2-CD1 4.27Å; L105-F130 HydrophobicContact CD2-CE1 3.83Å; L105-F130 HydrophobicContact CD2-CE2 4.18Å; L105-F130 HydrophobicContact CD2-CZ 3.78Å; F107-F130 HydrophobicContact CE2-CD2 4.06Å; F107-F130 AromaticContact CE2-CE2 3.62Å; F107-F130 HydrophobicContact CE2-CE2 3.62Å; F107-F130 HydrophobicContact CZ-CD2 4.49Å; F107-F130 AromaticContact CZ-CE2 3.64Å; F107-F130 HydrophobicContact CZ-CE2 3.64Å; F107-F130 HydrophobicContact CZ-CZ 4.21Å; E110-F130 CarbonylContact O-C 3.59Å; E110-F130 WeakPolarHBondContact O-CA 3.35Å; F111-F130 HydrophobicContact CD2-CB 4.01Å; F111-F130 HydrophobicContact CE2-CB 4.48Å; F130-H132 AromaticContact CD2-CD2 3.86Å; F130-H132 AromaticContact CE2-CD2 3.52Å; F130-H132 AromaticContact CE2-NE2 3.76Å; F130-E143 HydrophobicContact CD1-CB 4.45Å; F130-E143 HydrophobicContact CE1-CB 3.77Å; F130-E143 HydrophobicContact CE2-CB 4.07Å; F130-E143 HydrophobicContact CE2-CG 4.47Å; F130-E143 HydrophobicContact CZ-CB 3.56Å; F130-E143 HydrophobicContact CZ-CG 4.24Å; F130-E143 WeakPolarHBondContact CZ-OE2 3.37Å; F130-E143 PolarHBondContact N-O 3Å; F130-E143 PolarHBondContact O-N 3.05Å; F130-Y145 HydrophobicContact CD1-CD2 4Å; F130-Y145 HydrophobicContact CE1-CD2 4.41Å; F130-K148 HydrophobicContact CE1-CG 3.92Å; F130-K148 HydrophobicContact CZ-CG 3.92Å
131A98.3Very high94.6Very high7 Ų753.7 Ų53.76%0.05833%0.327CS..EExtended strand (participates in β ladder)trans-119.2134.5178.200000110.1S109 E110 M112 L141 L142 G226S109-A131 CarbonylContact C-O 3.27Å; S109-A131 WeakPolarHBondContact CA-O 3.48Å; S109-A131 WeakPolarHBondContact CB-O 3.46Å; E110-A131 PolarHBondContact N-O 3.05Å; E110-A131 PolarHBondContact O-N 2.93Å; M112-A131 HydrophobicContact CE-CB 3.84Å; A131-L141 WeakPolarHBondContact CA-O 3.3Å; A131-L142 HydrophobicContact CB-CD1 4.3Å; A131-G226 VanDerWaalsContact CB-O 3.25Å; A131-G226 WeakPolarHBondContact CB-O 3.33Å
132H97.1Very high95.1Very high30 Ų3046.8 Ų46.814%0.13930%0.296CS..EExtended strand (participates in β ladder)trans-139.1160177.663.1118000112.2F107 F130 N134 L141 E143F107-H132 HydrophobicContact CD2-CB 4.01Å; F107-H132 AromaticContact CD2-ND1 3.99Å; F107-H132 HydrophobicContact CE2-CB 3.93Å; F107-H132 AromaticContact CE2-CD2 3.73Å; F107-H132 AromaticContact CE2-CE1 3.9Å; F107-H132 AromaticContact CE2-CG 3.57Å; F107-H132 AromaticContact CE2-ND1 3.7Å; F107-H132 AromaticContact CE2-NE2 3.93Å; F130-H132 AromaticContact CD2-CD2 3.86Å; F130-H132 AromaticContact CE2-CD2 3.52Å; F130-H132 AromaticContact CE2-NE2 3.76Å; H132-N134 PolarHBondContact O-N 3.48Å; H132-L141 PolarHBondContact CD2-O 3.29Å; H132-L141 PolarHBondContact N-O 2.84Å; H132-L141 PolarHBondContact O-N 2.87Å; H132-E143 IonicContact CE1-OE2 3.68Å; H132-E143 IonicContact NE2-OE2 3.08Å; H132-E143 PolarHBondContact NE2-OE2 3.17Å; H132-E143 VanDerWaalsContact NE2-OE2 3.08Å
133V94.3Very high96.1Very high62 Ų6246.4 Ų46.438%0.37630%0.295SS..EExtended strand (participates in β ladder)trans-74.8121.2178-178.20000109.4P135 G139 H189V133-P135 WeakPolarHBondContact O-CD 3.47Å; V133-G139 WeakPolarHBondContact CA-O 3.41Å; V133-H189 HydrophobicContact CG2-CB 4.38Å
134N92.5Very high96.4Very high27 Ų2745.1 Ų45.114%0.14428%0.279CS..  trans-61.8118.1177.1-171.8-1.4000110.7H132 A136 D137 G138 G139 L141H132-N134 PolarHBondContact O-N 3.48Å; N134-A136 PolarHBondContact O-N 2.92Å; N134-A136 VanDerWaalsContact O-N 3.14Å; N134-A136 WeakPolarHBondContact OD1-CB 3.46Å; N134-A136 PolarHBondContact OD1-N 2.61Å; N134-A136 VanDerWaalsContact OD1-N 3.08Å; N134-D137 VanDerWaalsContact CB-OD1 3.27Å; N134-D137 WeakPolarHBondContact CB-OD1 3.46Å; N134-D137 PolarHBondContact ND2-OD1 2.85Å; N134-D137 PolarHBondContact ND2-OD2 2.67Å; N134-G138 VanDerWaalsContact O-CA 3.31Å; N134-G138 WeakPolarHBondContact O-CA 3.49Å; N134-G138 PolarHBondContact O-N 2.88Å; N134-G139 WeakPolarHBondContact CB-O 3.4Å; N134-G139 PolarHBondContact N-O 2.63Å; N134-L141 HydrophobicContact CB-CD1 3.95Å; N134-L141 HydrophobicContact CB-CG 3.85Å
135P91.1Very high96.5Very high124 Ų12442.9 Ų42.981%0.80526%0.264SS*.THydrogen-bonded Turntrans-69.3-9.4178.129.2-36000113.7V133V133-P135 WeakPolarHBondContact O-CD 3.47Å
136A94.9Very high96.5Very high87 Ų8741.7 Ų41.772%0.71926%0.259SS*.THydrogen-bonded Turntrans-87.2-36.1-18000000114.3N134N134-A136 PolarHBondContact O-N 2.92Å; N134-A136 VanDerWaalsContact O-N 3.14Å; N134-A136 WeakPolarHBondContact OD1-CB 3.46Å; N134-A136 PolarHBondContact OD1-N 2.61Å; N134-A136 VanDerWaalsContact OD1-N 3.08Å
137D93.8Very high96.4Very high120 Ų12047.3 Ų47.364%0.64229%0.285SS*.THydrogen-bonded Turntrans-139-5.4-173.956.833.2000114.7N134 G139N134-D137 VanDerWaalsContact CB-OD1 3.27Å; N134-D137 WeakPolarHBondContact CB-OD1 3.46Å; N134-D137 PolarHBondContact ND2-OD1 2.85Å; N134-D137 PolarHBondContact ND2-OD2 2.67Å; D137-G139 VanDerWaalsContact C-N 3.31Å; D137-G139 PolarHBondContact OD1-N 2.65Å
138G93.1Very high96.4Very high31 Ų3151.4 Ų51.432%0.3230%0.296SS..SBendtrans78.94.6-177.600000115.2N134 Y191N134-G138 VanDerWaalsContact O-CA 3.31Å; N134-G138 WeakPolarHBondContact O-CA 3.49Å; N134-G138 PolarHBondContact O-N 2.88Å; G138-Y191 VanDerWaalsContact O-CE1 3.27Å; G138-Y191 WeakPolarHBondContact O-CE1 3.5Å; G138-Y191 PolarHBondContact O-OH 3.12Å
139G93Very high96.3Very high21 Ų2152.1 Ų52.122%0.21630%0.302CS..  trans-75.9-173.917600000114.4V133 N134 D137V133-G139 WeakPolarHBondContact CA-O 3.41Å; N134-G139 WeakPolarHBondContact CB-O 3.4Å; N134-G139 PolarHBondContact N-O 2.63Å; D137-G139 VanDerWaalsContact C-N 3.31Å; D137-G139 PolarHBondContact OD1-N 2.65Å
140C96.1Very high96.2Very high33 Ų3358.7 Ų58.722%0.22333%0.333CS..EExtended strand (participates in β ladder)trans-86.1133.9174.2172.50000111.6M193 G224 G226C140-M193 HydrophobicContact CB-CE 3.76Å; C140-G224 PolarHBondContact SG-O 2.83Å; C140-G224 VanDerWaalsContact SG-O 3.36Å; C140-G226 PolarHBondContact SG-O 2.83Å; C140-G226 VanDerWaalsContact SG-O 3.37Å
141L97.3Very high96.2Very high61 Ų6160.8 Ų60.832%0.31934%0.344SS..EExtended strand (participates in β ladder)trans-112.9104.5161.9-71.1174.7000109.7A131 H132 N134A131-L141 WeakPolarHBondContact CA-O 3.3Å; H132-L141 PolarHBondContact CD2-O 3.29Å; H132-L141 PolarHBondContact N-O 2.84Å; H132-L141 PolarHBondContact O-N 2.87Å; N134-L141 HydrophobicContact CB-CD1 3.95Å; N134-L141 HydrophobicContact CB-CG 3.85Å
142L98.4Very high96.2Very high28 Ų2862.1 Ų62.115%0.14735%0.348CS..EExtended strand (participates in β ladder)trans-90.7123.2170.1-179.670.8000110.4M112 Y129 A131 F220 S221 G224 E225M112-L142 HydrophobicContact CE-CD1 3.44Å; M112-L142 VanDerWaalsContact CE-CD1 3.44Å; Y129-L142 HydrophobicContact CD1-CD1 4.27Å; Y129-L142 HydrophobicContact CD1-CD2 4.43Å; Y129-L142 HydrophobicContact CD1-CG 4.22Å; Y129-L142 HydrophobicContact CG-CD1 4.36Å; A131-L142 HydrophobicContact CB-CD1 4.3Å; L142-F220 HydrophobicContact CD1-CB 3.98Å; L142-F220 HydrophobicContact CD2-CB 4Å; L142-S221 WeakPolarHBondContact CD2-O 3.23Å; L142-G224 WeakPolarHBondContact CB-O 3.19Å; L142-E225 WeakPolarHBondContact CD2-O 3.29Å
143E98.4Very high96.2Very high53 Ų5362.4 Ų62.425%0.24835%0.35CS..EExtended strand (participates in β ladder)trans-133.3154.6179.8-56.1-168.497.300111.3Y129 F130 H132 K148Y129-E143 CarbonylContact C-O 3.51Å; Y129-E143 WeakPolarHBondContact CA-O 3.38Å; F130-E143 HydrophobicContact CD1-CB 4.45Å; F130-E143 HydrophobicContact CE1-CB 3.77Å; F130-E143 HydrophobicContact CE2-CB 4.07Å; F130-E143 HydrophobicContact CE2-CG 4.47Å; F130-E143 HydrophobicContact CZ-CB 3.56Å; F130-E143 HydrophobicContact CZ-CG 4.24Å; F130-E143 WeakPolarHBondContact CZ-OE2 3.37Å; F130-E143 PolarHBondContact N-O 3Å; F130-E143 PolarHBondContact O-N 3.05Å; H132-E143 IonicContact CE1-OE2 3.68Å; H132-E143 IonicContact NE2-OE2 3.08Å; H132-E143 PolarHBondContact NE2-OE2 3.17Å; H132-E143 VanDerWaalsContact NE2-OE2 3.08Å; E143-K148 WeakPolarHBondContact OE1-CE 3.41Å; E143-K148 IonicContact OE1-NZ 2.61Å; E143-K148 PolarHBondContact OE1-NZ 2.93Å; E143-K148 IonicContact OE2-NZ 2.87Å; E143-K148 PolarHBondContact OE2-NZ 3.21Å
144K98.4Very high96.4Very high79 Ų7959.6 Ų59.634%0.34333%0.333SS..EExtended strand (participates in β ladder)trans-79.9131.1172.6-82179.1176172.80110.5Y129 S146 E147Y129-K144 HydrophobicContact CD1-CG 3.67Å; Y129-K144 HydrophobicContact CE1-CD 4.16Å; Y129-K144 HydrophobicContact CE1-CG 3.39Å; Y129-K144 HydrophobicContact CG-CG 4.46Å; Y129-K144 WeakPolarHBondContact OH-CE 3.5Å; K144-S146 VanDerWaalsContact C-N 3.31Å; K144-S146 PolarHBondContact O-N 2.8Å; K144-E147 HydrophobicContact CB-CB 4.4Å; K144-E147 HydrophobicContact CB-CG 3.95Å; K144-E147 WeakPolarHBondContact CD-OE1 3.45Å; K144-E147 PolarHBondContact O-N 2.9Å
145Y98.6Very high96.7Very high0 Ų058.3 Ų58.30%033%0.326CS..G310 helixtrans-62.4-39.9-179.4-170.9-106.7000112.2P101 T104 L105 F111 N126 S128 F130 E147 K148 C149 D151P101-Y145 HydrophobicContact CG-CD2 4.44Å; P101-Y145 HydrophobicContact CG-CE2 3.44Å; P101-Y145 VanDerWaalsContact CG-CE2 3.44Å; P101-Y145 WeakPolarHBondContact CG-OH 3.17Å; T104-Y145 PolarHBondContact OG1-OH 2.9Å; L105-Y145 HydrophobicContact CD1-CD2 4.48Å; L105-Y145 HydrophobicContact CD1-CE2 4.28Å; L105-Y145 HydrophobicContact CD2-CD2 4.14Å; L105-Y145 HydrophobicContact CD2-CE2 3.95Å; L105-Y145 HydrophobicContact CG-CE2 4.04Å; F111-Y145 HydrophobicContact CE2-CD1 4.5Å; F111-Y145 AromaticContact CE2-CD2 3.73Å; F111-Y145 HydrophobicContact CE2-CD2 3.73Å; F111-Y145 HydrophobicContact CE2-CE2 4.25Å; F111-Y145 AromaticContact CE2-CG 3.86Å; F111-Y145 HydrophobicContact CE2-CG 3.86Å; F111-Y145 HydrophobicContact CZ-CD1 4.36Å; F111-Y145 HydrophobicContact CZ-CD2 4.36Å; F111-Y145 HydrophobicContact CZ-CG 4.14Å; N126-Y145 VanDerWaalsContact ND2-CD1 3.33Å; N126-Y145 WeakPolarHBondContact ND2-CD1 3.45Å; S128-Y145 WeakPolarHBondContact O-CB 3.41Å; S128-Y145 PolarHBondContact O-N 3.36Å; F130-Y145 HydrophobicContact CD1-CD2 4Å; F130-Y145 HydrophobicContact CE1-CD2 4.41Å; Y145-E147 PolarHBondContact O-N 2.95Å; Y145-E147 VanDerWaalsContact O-N 3.15Å; Y145-K148 PolarHBondContact O-N 2.89Å; Y145-C149 HydrophobicContact CD1-CB 4.21Å; Y145-C149 HydrophobicContact CD2-CB 4.34Å; Y145-C149 HydrophobicContact CE1-CB 3.62Å; Y145-C149 HydrophobicContact CE2-CB 3.73Å; Y145-C149 PolarHBondContact O-N 3.5Å; Y145-C149 WeakPolarHBondContact OH-CB 3.34Å; Y145-D151 WeakPolarHBondContact CE1-OD1 3.45Å; Y145-D151 VanDerWaalsContact OH-CG 3.31Å; Y145-D151 PolarHBondContact OH-OD1 2.65Å; Y145-D151 PolarHBondContact OH-OD2 3.03Å
146S97.6Very high97Very high45 Ų4552.7 Ų52.732%0.31529%0.289SS..G310 helixtrans-67.3-10.4179.730.10000115.2N126 K144 C149 H150N126-S146 VanDerWaalsContact O-CB 3.27Å; N126-S146 WeakPolarHBondContact O-CB 3.28Å; N126-S146 PolarHBondContact O-OG 2.96Å; K144-S146 VanDerWaalsContact C-N 3.31Å; K144-S146 PolarHBondContact O-N 2.8Å; S146-C149 WeakPolarHBondContact CA-O 3.36Å; S146-H150 PolarHBondContact O-CE1 3.01Å; S146-H150 VanDerWaalsContact O-CE1 3.29Å; S146-H150 PolarHBondContact O-ND1 2.77Å
147E97.3Very high97.1Very high136 Ų13649.2 Ų49.264%0.63626%0.259SS*.G310 helixtrans-90.3-9.2173.8-65.2172.6-176.100112.5K144 Y145K144-E147 HydrophobicContact CB-CB 4.4Å; K144-E147 HydrophobicContact CB-CG 3.95Å; K144-E147 WeakPolarHBondContact CD-OE1 3.45Å; K144-E147 PolarHBondContact O-N 2.9Å; Y145-E147 PolarHBondContact O-N 2.95Å; Y145-E147 VanDerWaalsContact O-N 3.15Å
148K97Very high97.4Very high107 Ų10743.6 Ų43.647%0.46523%0.229SC..THydrogen-bonded Turntrans-117.6-39.6179.1-56.5-65.3174110.80112.9L105 F130 E143 Y145L105-K148 HydrophobicContact CD2-CB 4.35Å; F130-K148 HydrophobicContact CE1-CG 3.92Å; F130-K148 HydrophobicContact CZ-CG 3.92Å; E143-K148 WeakPolarHBondContact OE1-CE 3.41Å; E143-K148 IonicContact OE1-NZ 2.61Å; E143-K148 PolarHBondContact OE1-NZ 2.93Å; E143-K148 IonicContact OE2-NZ 2.87Å; E143-K148 PolarHBondContact OE2-NZ 3.21Å; Y145-K148 PolarHBondContact O-N 2.89Å
149C97.1Very high97.6Very high16 Ų1642.3 Ų42.311%0.10822%0.215CC..  trans-136.5156.6-171.6-580000110.1Y145 S146Y145-C149 HydrophobicContact CD1-CB 4.21Å; Y145-C149 HydrophobicContact CD2-CB 4.34Å; Y145-C149 HydrophobicContact CE1-CB 3.62Å; Y145-C149 HydrophobicContact CE2-CB 3.73Å; Y145-C149 PolarHBondContact O-N 3.5Å; Y145-C149 WeakPolarHBondContact OH-CB 3.34Å; S146-C149 WeakPolarHBondContact CA-O 3.36Å
150H97.2Very high97.9Very high166 Ų16641.4 Ų41.477%0.76921%0.205SC*.  trans-126.423-173.3-60.3-29.3000113.2S146S146-H150 PolarHBondContact O-CE1 3.01Å; S146-H150 VanDerWaalsContact O-CE1 3.29Å; S146-H150 PolarHBondContact O-ND1 2.77Å
151D98.1Very high98Very high44 Ų4440.9 Ų40.924%0.23520%0.199CC..SBendtrans-112.9-165.4-179.559.273000111.5N126 Y145 Q153N126-D151 PolarHBondContact ND2-O 3.29Å; Y145-D151 WeakPolarHBondContact CE1-OD1 3.45Å; Y145-D151 VanDerWaalsContact OH-CG 3.31Å; Y145-D151 PolarHBondContact OH-OD1 2.65Å; Y145-D151 PolarHBondContact OH-OD2 3.03Å; D151-Q153 HydrophobicContact CB-CG 4.34Å; D151-Q153 VanDerWaalsContact OD1-CB 3.23Å; D151-Q153 WeakPolarHBondContact OD1-CB 3.25Å; D151-Q153 WeakPolarHBondContact OD1-CG 3.42Å; D151-Q153 PolarHBondContact OD1-N 2.9Å
152F98.4Very high98.1Very high34 Ų3438 Ų3815%0.14918%0.184CC..  trans-127.732.2-177.4-56.4-84.8000111.5D79 L80 N81 I115 P124 N126D79-F152 WeakPolarHBondContact CA-O 3.45Å; L80-F152 HydrophobicContact CB-CB 4.41Å; L80-F152 PolarHBondContact N-O 3.41Å; N81-F152 HydrophobicContact CB-CB 4.18Å; N81-F152 HydrophobicContact CB-CD2 4.2Å; N81-F152 HydrophobicContact CB-CG 4.1Å; I115-F152 HydrophobicContact CD1-CD1 4.28Å; I115-F152 HydrophobicContact CG2-CD1 3.68Å; I115-F152 HydrophobicContact CG2-CE1 3.97Å; P124-F152 HydrophobicContact CB-CE1 3.89Å; P124-F152 HydrophobicContact CB-CE2 4.36Å; P124-F152 HydrophobicContact CB-CZ 3.53Å; P124-F152 HydrophobicContact CG-CE2 4.32Å; P124-F152 HydrophobicContact CG-CZ 3.79Å; N126-F152 HydrophobicContact CB-CD1 4.17Å; N126-F152 HydrophobicContact CB-CE1 3.82Å
153Q98.6Very high98.1Very high37 Ų3736.7 Ų36.717%0.17318%0.177CC..EExtended strand (participates in β ladder)trans-75.5150.4-175.2-67.2-68.3-77.300113.8Y78 P101 T104 D151Y78-Q153 WeakPolarHBondContact O-CA 3.47Å; Y78-Q153 PolarHBondContact O-NE2 2.85Å; Y78-Q153 PolarHBondContact O-OE1 2.91Å; P101-Q153 HydrophobicContact CB-CB 3.53Å; P101-Q153 HydrophobicContact CG-CB 4.04Å; P101-Q153 WeakPolarHBondContact CG-O 3.36Å; T104-Q153 HydrophobicContact CG2-CB 4.33Å; T104-Q153 HydrophobicContact CG2-CG 3.97Å; D151-Q153 HydrophobicContact CB-CG 4.34Å; D151-Q153 VanDerWaalsContact OD1-CB 3.23Å; D151-Q153 WeakPolarHBondContact OD1-CB 3.25Å; D151-Q153 WeakPolarHBondContact OD1-CG 3.42Å; D151-Q153 PolarHBondContact OD1-N 2.9Å
154C97.9Very high98Very high2 Ų236.9 Ų36.91%0.01418%0.178CC..EExtended strand (participates in β ladder)trans-146.1-177.5157.558.10000108.9Y78 L80 Q103 F111Y78-C154 PolarHBondContact N-O 3.23Å; Y78-C154 PolarHBondContact O-N 3.14Å; Y78-C154 VanDerWaalsContact O-N 3.08Å; L80-C154 HydrophobicContact CD1-CB 4.3Å; Q103-C154 PolarHBondContact NE2-O 2.84Å; Q103-C154 VanDerWaalsContact NE2-O 3.1Å; F111-C154 HydrophobicContact CD1-CB 4.29Å; F111-C154 HydrophobicContact CE1-CB 4.5Å
155A98.2Very high97.9Very high0 Ų033.4 Ų33.40%016%0.164CC..EExtended strand (participates in β ladder)trans-146.3164.5-179.900000113.4K76 V77 A99 F102 L157K76-A155 CarbonylContact O-C 3.47Å; K76-A155 WeakPolarHBondContact O-CA 3.34Å; V77-A155 HydrophobicContact CG1-CB 4.4Å; A99-A155 WeakPolarHBondContact CB-O 3.32Å; A99-A155 PolarHBondContact O-N 3.12Å; A99-A155 VanDerWaalsContact O-N 3.08Å; F102-A155 HydrophobicContact CD1-CB 3.9Å; F102-A155 HydrophobicContact CE1-CB 3.34Å; F102-A155 HydrophobicContact CZ-CB 3.9Å; A155-L157 PolarHBondContact O-N 3.48Å
156L97.6Very high97.8Very high6 Ų637.7 Ų37.73%0.03118%0.184CC..EExtended strand (participates in β ladder)trans58.9-58.2172.8-44.6-178.6000116.7G64 Y67 L68 V72 K76 A99 F102G64-L156 PolarHBondContact N-O 2.84Å; Y67-L156 WeakPolarHBondContact CD2-O 3.29Å; L68-L156 HydrophobicContact CB-CD1 3.92Å; L68-L156 HydrophobicContact CD1-CD1 3.65Å; L68-L156 HydrophobicContact CG-CD1 4.32Å; V72-L156 HydrophobicContact CG2-CD1 3.67Å; V72-L156 HydrophobicContact CG2-CD2 3.78Å; V72-L156 HydrophobicContact CG2-CG 4.4Å; K76-L156 HydrophobicContact CB-CD2 4.22Å; K76-L156 PolarHBondContact O-N 3.45Å; A99-L156 HydrophobicContact CB-CB 4.38Å; F102-L156 HydrophobicContact CE1-CD1 4.25Å; F102-L156 HydrophobicContact CE1-CD2 3.85Å; F102-L156 HydrophobicContact CE1-CG 3.92Å; F102-L156 HydrophobicContact CZ-CD2 4.2Å
157L97.8Very high97.6Very high15 Ų1539.1 Ų39.18%0.07919%0.192CC..EExtended strand (participates in β ladder)trans-151.7142.6-176.264.497.6000111V62 V65 G98 A99 A155V62-L157 CarbonylContact O-C 3.48Å; V62-L157 VanDerWaalsContact O-CA 3.28Å; V62-L157 WeakPolarHBondContact O-CA 3.25Å; V65-L157 HydrophobicContact CB-CD2 4.48Å; V65-L157 HydrophobicContact CG2-CD2 4.1Å; G98-L157 VanDerWaalsContact CA-O 3.23Å; G98-L157 WeakPolarHBondContact CA-O 3.24Å; A99-L157 HydrophobicContact CB-CG 4.49Å; A99-L157 PolarHBondContact N-O 2.89Å; A155-L157 PolarHBondContact O-N 3.48Å
158A98.6Very high97.2Very high2 Ų234 Ų342%0.01718%0.175CC..EExtended strand (participates in β ladder)trans-149.7133.2169.500000111.6V62 A97 L160V62-A158 HydrophobicContact CB-CB 4.25Å; V62-A158 PolarHBondContact N-O 3.42Å; V62-A158 PolarHBondContact O-N 2.96Å; A97-A158 CarbonylContact O-C 3.57Å; A97-A158 WeakPolarHBondContact O-CA 3.27Å; A158-L160 HydrophobicContact CB-CD1 4.14Å; A158-L160 HydrophobicContact CB-CD2 4.05Å; A158-L160 HydrophobicContact CB-CG 3.99Å
159N98.8Very high96.4Very high4 Ų433.9 Ų33.92%0.02118%0.175CC..EExtended strand (participates in β ladder)trans-114.8107.8178.8-64.292.7000107.3E61 G96 A97 V202 H216E61-N159 PolarHBondContact OE1-ND2 3.03Å; E61-N159 PolarHBondContact OE2-ND2 2.82Å; G96-N159 WeakPolarHBondContact CA-O 3.22Å; A97-N159 PolarHBondContact N-O 3.05Å; A97-N159 PolarHBondContact O-N 3.16Å; N159-V202 HydrophobicContact CB-CB 4.38Å; N159-V202 WeakPolarHBondContact O-CG2 3.28Å; N159-H216 HydrophobicContact CB-CB 3.98Å; N159-H216 PolarHBondContact OD1-ND1 3.14Å
160L98.9Very high95.1Very high1 Ų133.1 Ų33.11%0.00517%0.17CC..EExtended strand (participates in β ladder)trans-125.2133.7-161.1-56.6173.2000111.4I59 A60 V62 L80 I83 I94 L95 P113 A158I59-L160 CarbonylContact C-O 3.58Å; I59-L160 VanDerWaalsContact CA-O 3.23Å; I59-L160 WeakPolarHBondContact CA-O 3.34Å; A60-L160 HydrophobicContact CB-CB 4.17Å; A60-L160 HydrophobicContact CB-CD1 4.4Å; A60-L160 PolarHBondContact N-O 2.94Å; A60-L160 PolarHBondContact O-N 2.88Å; V62-L160 HydrophobicContact CG2-CD1 4.16Å; L80-L160 HydrophobicContact CD2-CD1 3.43Å; L80-L160 VanDerWaalsContact CD2-CD1 3.43Å; L80-L160 HydrophobicContact CD2-CD2 4.16Å; L80-L160 HydrophobicContact CD2-CG 4.45Å; I83-L160 HydrophobicContact CG2-CD1 4.18Å; I94-L160 HydrophobicContact CG2-CB 4.08Å; I94-L160 HydrophobicContact CG2-CD1 4.27Å; I94-L160 HydrophobicContact CG2-CD2 3.86Å; I94-L160 HydrophobicContact CG2-CG 4.29Å; L95-L160 CarbonylContact O-C 3.5Å; L95-L160 WeakPolarHBondContact O-CA 3.39Å; P113-L160 HydrophobicContact CB-CD2 4.29Å; P113-L160 HydrophobicContact CG-CD2 3.7Å; A158-L160 HydrophobicContact CB-CD1 4.14Å; A158-L160 HydrophobicContact CB-CD2 4.05Å; A158-L160 HydrophobicContact CB-CG 3.99Å
161F98.8Very high93.1Very high23 Ų2325.2 Ų25.210%0.10113%0.133CC..EExtended strand (participates in β ladder)trans-96.8132.3162.1172.9-88.5000109.1I53 T57 I94 L95 V202 L245I53-F161 HydrophobicContact CB-CE1 3.92Å; I53-F161 HydrophobicContact CB-CZ 4.35Å; I53-F161 HydrophobicContact CG2-CE1 4.25Å; T57-F161 HydrophobicContact CG2-CE2 4.03Å; T57-F161 HydrophobicContact CG2-CZ 3.67Å; I94-F161 WeakPolarHBondContact CA-O 3.27Å; L95-F161 PolarHBondContact N-O 2.8Å; L95-F161 PolarHBondContact O-N 3.45Å; F161-V202 HydrophobicContact CB-CG2 4.14Å; F161-L245 HydrophobicContact CE2-CB 4.37Å; F161-L245 HydrophobicContact CZ-CB 4.31Å; F161-L245 HydrophobicContact CZ-CD1 4.49Å
162A98.8Very high90.6Very high0 Ų024.5 Ų24.50%013%0.129CC..EExtended strand (participates in β ladder)trans-129.7140.1-179.200000112.2T57 R58 I87 A92 F93 I94T57-A162 CarbonylContact C-O 3.5Å; T57-A162 WeakPolarHBondContact CA-O 3.36Å; R58-A162 HydrophobicContact CG-CB 3.81Å; R58-A162 PolarHBondContact N-O 3.26Å; R58-A162 PolarHBondContact O-N 2.93Å; I87-A162 HydrophobicContact CD1-CB 3.64Å; A92-A162 HydrophobicContact CB-CB 4.27Å; F93-A162 VanDerWaalsContact O-CA 3.31Å; F93-A162 WeakPolarHBondContact O-CA 3.32Å; I94-A162 HydrophobicContact CG1-CB 4.14Å
163S98.2Very high88.1Confident0 Ų023.6 Ų23.60%013%0.125CC..EExtended strand (participates in β ladder)trans-149.8177-177.465.60000112I53 G55 A92 F93 G165I53-S163 WeakPolarHBondContact O-CB 3.42Å; I53-S163 PolarHBondContact O-OG 3.36Å; G55-S163 CarbonylContact O-C 3.54Å; G55-S163 WeakPolarHBondContact O-CA 3.48Å; A92-S163 CarbonylContact C-O 3.5Å; A92-S163 VanDerWaalsContact CA-O 3.3Å; A92-S163 WeakPolarHBondContact CA-O 3.44Å; F93-S163 PolarHBondContact N-O 3.05Å; F93-S163 PolarHBondContact O-N 2.73Å; S163-G165 PolarHBondContact O-N 3.47Å; S163-G165 PolarHBondContact OG-N 3.02Å
164E97.3Very high85Confident58 Ų5823.6 Ų23.627%0.27113%0.129SC..  trans-77.6-4.6172-64.2-173.6119.500113.7C54 G55 K56 L89 K122 Q166C54-E164 PolarHBondContact O-N 3.43Å; G55-E164 PolarHBondContact O-N 2.84Å; K56-E164 HydrophobicContact CB-CG 4.15Å; K56-E164 HydrophobicContact CG-CG 4.34Å; K56-E164 IonicContact NZ-OE1 2.67Å; K56-E164 PolarHBondContact NZ-OE1 2.73Å; K56-E164 IonicContact NZ-OE2 2.64Å; K56-E164 PolarHBondContact NZ-OE2 2.81Å; L89-E164 HydrophobicContact CD1-CG 4.09Å; K122-E164 PolarHBondContact NZ-O 3.3Å; E164-Q166 HydrophobicContact CB-CG 3.84Å
165G96.3Very high81.9Confident5 Ų524 Ų245%0.05213%0.132CC..  trans75.721.6178.800000114.5V50 G52 C54 S163V50-G165 WeakPolarHBondContact CB-O 3.43Å; G52-G165 PolarHBondContact N-O 3.48Å; G52-G165 CarbonylContact O-C 3.51Å; G52-G165 VanDerWaalsContact O-CA 3.22Å; G52-G165 WeakPolarHBondContact O-CA 3.21Å; C54-G165 PolarHBondContact O-N 3.06Å; S163-G165 PolarHBondContact O-N 3.47Å; S163-G165 PolarHBondContact OG-N 3.02Å
166Q95.7Very high78.9Confident90 Ų9025 Ų2542%0.42114%0.138SC..BIsolated β-bridgetrans-89155.6-169.5-57-62.9-14.800112.7G52 I53 C54 E164G52-Q166 CarbonylContact C-O 3.41Å; G52-Q166 VanDerWaalsContact C-O 3.27Å; G52-Q166 VanDerWaalsContact CA-O 3.27Å; G52-Q166 WeakPolarHBondContact CA-O 3.45Å; I53-Q166 PolarHBondContact N-O 2.92Å; C54-Q166 HydrophobicContact CB-CB 4.37Å; C54-Q166 VanDerWaalsContact CB-O 3.27Å; C54-Q166 WeakPolarHBondContact CB-O 3.44Å; C54-Q166 PolarHBondContact N-O 3.4Å; C54-Q166 WeakPolarHBondContact O-CB 3.14Å; C54-Q166 PolarHBondContact O-N 3.06Å; C54-Q166 VanDerWaalsContact O-N 3.08Å; E164-Q166 HydrophobicContact CB-CG 3.84Å
167P93.3Very high76.8Confident75 Ų7527.3 Ų27.349%0.48715%0.154SC..  trans-59.6159.2156.3-17.331.5000111.6K51K51-P167 HydrophobicContact CB-CG 3.94Å
168G88.3Confident73.8Confident28 Ų2833.5 Ų33.529%0.28919%0.186SC..  trans157.1-157.4-17800000108.9C38 C54 P170C38-G168 WeakPolarHBondContact CB-O 3.36Å; C38-G168 PolarHBondContact N-O 2.83Å; C54-G168 VanDerWaalsContact SG-C 3.54Å; C54-G168 VanDerWaalsContact SG-CA 3.51Å; G168-P170 WeakPolarHBondContact O-CD 3.49Å
169K80.3Confident71Confident105 Ų10538.6 Ų38.646%0.45721%0.213SC..  trans-111.5109-175.6-64.8-164.2170.5-1640114.6L13 V35 V36 D37 L245L13-K169 HydrophobicContact CD1-CB 4.26Å; L13-K169 WeakPolarHBondContact CD1-O 3.45Å; V35-K169 HydrophobicContact CG1-CB 3.99Å; V35-K169 HydrophobicContact CG1-CD 4.2Å; V36-K169 WeakPolarHBondContact O-CA 3.42Å; V36-K169 VanDerWaalsContact O-CB 3.26Å; V36-K169 WeakPolarHBondContact O-CB 3.35Å; V36-K169 WeakPolarHBondContact O-CG 3.26Å; D37-K169 WeakPolarHBondContact OD1-CE 3.48Å; D37-K169 WeakPolarHBondContact OD1-CG 3.32Å; K169-L245 WeakPolarHBondContact O-CD2 3.32Å
170P70.1Confident68.7Low0 Ų043.2 Ų43.20%025%0.246CC..  trans-88.1175164.635.6-36.1000112.4V36 C38 I53 G168 Y243 F244 L245V36-P170 PolarHBondContact N-O 3.42Å; V36-P170 WeakPolarHBondContact O-CD 3.45Å; C38-P170 HydrophobicContact CB-CG 4.06Å; I53-P170 HydrophobicContact CD1-CB 4.21Å; G168-P170 WeakPolarHBondContact O-CD 3.49Å; P170-Y243 HydrophobicContact CG-CD1 4.12Å; P170-Y243 HydrophobicContact CG-CG 4.46Å; P170-F244 WeakPolarHBondContact CA-O 3.31Å; P170-F244 VanDerWaalsContact CB-O 3.27Å; P170-F244 WeakPolarHBondContact CB-O 3.44Å; P170-L245 HydrophobicContact CB-CD2 4.45Å; P170-L245 HydrophobicContact CB-CG 4.32Å
171A55.3Low66.3Low0 Ų048.2 Ų48.20%027%0.273CS..EExtended strand (participates in β ladder)trans-97.4147.8164.700000111.5S34 F173 Y243 F244S34-A171 WeakPolarHBondContact O-CA 3.13Å; A171-F173 HydrophobicContact CB-CE2 3.67Å; A171-F173 HydrophobicContact CB-CZ 3.64Å; A171-F173 WeakPolarHBondContact O-CE2 3.23Å; A171-Y243 WeakPolarHBondContact O-CA 3.22Å; A171-F244 PolarHBondContact N-O 2.87Å; A171-F244 PolarHBondContact O-N 3.06Å
172E46.8Very low63.8Low30 Ų3054.1 Ų54.114%0.1430%0.3CS..EExtended strand (participates in β ladder)trans-112.2147-173.3178.6-178.9-109.100112.8Q32 V33 S34 V36 L241 G242 Y243Q32-E172 PolarHBondContact NE2-OE2 2.85Å; V33-E172 VanDerWaalsContact CA-O 3.23Å; V33-E172 WeakPolarHBondContact CA-O 3.41Å; V33-E172 WeakPolarHBondContact CG1-O 3.4Å; S34-E172 PolarHBondContact O-N 3.2Å; S34-E172 PolarHBondContact OG-OE2 3.06Å; V36-E172 HydrophobicContact CG2-CB 4.28Å; E172-L241 HydrophobicContact CG-CD1 3.96Å; E172-G242 WeakPolarHBondContact CA-O 3.37Å; E172-Y243 HydrophobicContact CB-CE1 4.43Å; E172-Y243 HydrophobicContact CG-CE1 4.28Å
173F45.2Very low61.3Low14 Ų1462.1 Ų62.16%0.06134%0.338CS..EExtended strand (participates in β ladder)trans-152.8161.7-174.2-53.6-87.2000115.8M20 L24 V33 A171 L241 G242 F244M20-F173 HydrophobicContact CB-CD1 4.33Å; M20-F173 HydrophobicContact CB-CE1 3.49Å; M20-F173 VanDerWaalsContact CB-CE1 3.49Å; M20-F173 HydrophobicContact CB-CZ 4.25Å; M20-F173 HydrophobicContact CE-CD1 4.03Å; M20-F173 HydrophobicContact CE-CE1 3.45Å; M20-F173 VanDerWaalsContact CE-CE1 3.45Å; M20-F173 HydrophobicContact CE-CE2 4.13Å; M20-F173 HydrophobicContact CE-CZ 3.49Å; M20-F173 VanDerWaalsContact CE-CZ 3.49Å; M20-F173 HydrophobicContact CG-CE1 4.17Å; M20-F173 HydrophobicContact SD-CE1 3.68Å; M20-F173 HydrophobicContact SD-CZ 3.51Å; M20-F173 VanDerWaalsContact SD-CZ 3.51Å; L24-F173 HydrophobicContact CD1-CB 4.38Å; L24-F173 HydrophobicContact CD1-CD1 3.51Å; L24-F173 HydrophobicContact CD1-CE1 4.3Å; L24-F173 HydrophobicContact CD1-CG 4.34Å; V33-F173 HydrophobicContact CB-CD1 4.23Å; V33-F173 HydrophobicContact CB-CE1 4.18Å; V33-F173 HydrophobicContact CG1-CD1 3.8Å; V33-F173 HydrophobicContact CG1-CE1 3.31Å; V33-F173 HydrophobicContact CG1-CZ 3.9Å; V33-F173 HydrophobicContact CG2-CD1 3.43Å; V33-F173 VanDerWaalsContact CG2-CD1 3.43Å; V33-F173 HydrophobicContact CG2-CE1 3.76Å; V33-F173 HydrophobicContact CG2-CG 4.39Å; A171-F173 HydrophobicContact CB-CE2 3.67Å; A171-F173 HydrophobicContact CB-CZ 3.64Å; A171-F173 WeakPolarHBondContact O-CE2 3.23Å; F173-L241 WeakPolarHBondContact O-CA 3.31Å; F173-G242 PolarHBondContact N-O 2.93Å; F173-G242 PolarHBondContact O-N 3.16Å; F173-F244 HydrophobicContact CB-CE2 4.46Å; F173-F244 AromaticContact CD2-CD2 3.25Å; F173-F244 HydrophobicContact CD2-CD2 3.25Å; F173-F244 AromaticContact CD2-CE2 3.49Å; F173-F244 HydrophobicContact CD2-CE2 3.49Å; F173-F244 VanDerWaalsContact CD2-CE2 3.49Å; F173-F244 HydrophobicContact CD2-CG 4.28Å; F173-F244 HydrophobicContact CE2-CB 4.11Å; F173-F244 AromaticContact CE2-CD2 3.46Å; F173-F244 HydrophobicContact CE2-CD2 3.46Å; F173-F244 VanDerWaalsContact CE2-CD2 3.46Å; F173-F244 HydrophobicContact CE2-CE2 4.14Å; F173-F244 HydrophobicContact CE2-CG 4.1Å; F173-F244 HydrophobicContact CG-CD2 4.4Å; F173-F244 HydrophobicContact CG-CE2 4.29Å
174S32.8Very low59.1Low37 Ų3763.2 Ų63.226%0.25934%0.344SS..  trans-134.1-171.4169.1-169.30000112F28 Y240F28-S174 VanDerWaalsContact CD1-O 3.28Å; F28-S174 WeakPolarHBondContact CD1-O 3.43Å; F28-S174 WeakPolarHBondContact CE1-O 3.42Å; S174-Y240 WeakPolarHBondContact CA-O 3.47Å; S174-Y240 WeakPolarHBondContact CB-O 3.35Å; S174-Y240 PolarHBondContact OG-O 2.83Å
175S33.9Very low57.3Low12 Ų1262.9 Ų62.98%0.08435%0.345CS..  trans-135.9162.6-137.847.70000119.7F28 V238 E239 Y240F28-S175 VanDerWaalsContact CB-O 3.27Å; F28-S175 WeakPolarHBondContact CB-O 3.28Å; F28-S175 VanDerWaalsContact CD1-CA 3.42Å; F28-S175 WeakPolarHBondContact CD1-O 3.48Å; F28-S175 VanDerWaalsContact CE1-CA 3.48Å; F28-S175 WeakPolarHBondContact CG-O 3.19Å; S175-V238 PolarHBondContact OG-O 3.39Å; S175-E239 WeakPolarHBondContact OG-CA 3.43Å; S175-Y240 VanDerWaalsContact CB-CG 3.43Å; S175-Y240 PolarHBondContact OG-N 2.84Å
176C35Very low55.1Low19 Ų1969.9 Ų69.913%0.12837%0.374CS..  cis-156.9-148.1-19.145.50000114F28 D232 V238 Y240F28-C176 WeakPolarHBondContact CD2-O 3.37Å; F28-C176 WeakPolarHBondContact CE2-O 3.33Å; C176-D232 VanDerWaalsContact SG-CG 3.54Å; C176-D232 PolarHBondContact SG-OD1 3.43Å; C176-V238 WeakPolarHBondContact SG-CG1 3.44Å; C176-V238 VanDerWaalsContact SG-CG2 3.55Å; C176-Y240 HydrophobicContact CB-CD2 4.26Å; C176-Y240 HydrophobicContact CB-CE2 3.52Å; C176-Y240 VanDerWaalsContact SG-CZ 3.57Å; C176-Y240 PolarHBondContact SG-OH 3.1Å; C176-Y240 VanDerWaalsContact SG-OH 3.36Å
177P53Low52.4Low55 Ų5573 Ų7336%0.35738%0.381SS..  -116.3-166.1-107.740.9-24000118.4D232P177-D232 WeakPolarHBondContact CD-OD1 3.42Å; P177-D232 WeakPolarHBondContact CG-OD1 3.17Å
178L34.3Very low50.9Low145 Ų14571.7 Ų71.776%0.75937%0.37SS*.  trans-135.1166.3172.7-91.6172.2000111.2
179N40.7Very low49.3Very low109 Ų10976.4 Ų76.458%0.58339%0.385SS*.  trans-133.8176.1-161.5-22.3-83.1000112.7
180S49.9Very low49.1Very low101 Ų10175.4 Ų75.471%0.70638%0.38SS*.  cis-169.4152.36.6470000112.1
181D49.2Very low49.1Very low107 Ų10779.5 Ų79.557%0.57240%0.396SS*.  trans-110.6153.1169.2-70.9-84.8000112.5N185 D265D181-N185 PolarHBondContact O-ND2 3.09Å; D181-D265 HydrophobicContact CB-CB 4.27Å; D181-D265 WeakPolarHBondContact CB-OD2 3.16Å
182E46.4Very low50.2Low146 Ų14686.5 Ų86.568%0.68243%0.429SS*.  trans-119.4-29.6-162.6-153.5-166.1142.900117.8K186E182-K186 IonicContact OE1-NZ 2.78Å
183E45.3Very low52Low168 Ų16886.9 Ų86.979%0.78543%0.432SS*.SBendtrans-89.7-30.5-171.2-66.4-156.3137.400114.8N185E183-N185 PolarHBondContact O-N 2.95Å
184V52.6Low53.9Low23 Ų2392 Ų9214%0.13945%0.453CS..G310 helixtrans-63.9-31.8176.5176.60000111.2K186 W187 L188 I262 D265V184-K186 PolarHBondContact O-N 3.25Å; V184-W187 PolarHBondContact O-N 2.77Å; V184-W187 VanDerWaalsContact O-N 3.15Å; V184-L188 HydrophobicContact CG1-CD1 3.87Å; V184-L188 HydrophobicContact CG1-CG 4.29Å; V184-I262 HydrophobicContact CG2-CG2 4.45Å; V184-D265 VanDerWaalsContact CB-OD2 3.29Å; V184-D265 WeakPolarHBondContact CB-OD2 3.27Å; V184-D265 WeakPolarHBondContact CG2-OD2 3.34Å
185N59.9Low56.5Low52 Ų5294.4 Ų94.428%0.27848%0.476SS..G310 helixtrans-67.1-2.3-174.5-54.9-10000114.7D181 E183 F190D181-N185 PolarHBondContact O-ND2 3.09Å; E183-N185 PolarHBondContact O-N 2.95Å; N185-F190 VanDerWaalsContact CA-CE2 3.47Å; N185-F190 HydrophobicContact CB-CE2 3.68Å; N185-F190 HydrophobicContact CB-CZ 3.64Å; N185-F190 WeakPolarHBondContact O-CE2 3.37Å; N185-F190 WeakPolarHBondContact OD1-CZ 3.39Å
186K49.1Very low59.3Low152 Ų15298.5 Ų98.566%0.66150%0.502SS*.G310 helixtrans-95.6-4.4178.2-68.7162.5-172.1151.10113.3E182 V184E182-K186 IonicContact OE1-NZ 2.78Å; V184-K186 PolarHBondContact O-N 3.25Å
187W40.1Very low62.2Low154 Ų154100 Ų10058%0.58351%0.509SS*.THydrogen-bonded Turntrans-115.7-29.4176.1-176.371.8000113.7L68 V184L68-W187 HydrophobicContact CD1-CH2 4.2Å; L68-W187 HydrophobicContact CD2-CH2 4.18Å; L68-W187 HydrophobicContact CD2-CZ3 4.16Å; L68-W187 HydrophobicContact CG-CH2 4.45Å; V184-W187 PolarHBondContact O-N 2.77Å; V184-W187 VanDerWaalsContact O-N 3.15Å
188L61.2Low64.4Low48 Ų4898 Ų9825%0.25150%0.496SS..SBendtrans-76.3150.4174.7-60.4177.4000111.8V184 F190V184-L188 HydrophobicContact CG1-CD1 3.87Å; V184-L188 HydrophobicContact CG1-CG 4.29Å; L188-F190 HydrophobicContact CB-CD2 4.4Å; L188-F190 HydrophobicContact CB-CE2 3.66Å; L188-F190 HydrophobicContact CB-CZ 4Å; L188-F190 HydrophobicContact CD1-CZ 4.25Å
189H54.7Low67.4Low127 Ų12793.8 Ų93.859%0.58848%0.478SS*.  trans-93.2110.5171.3-79.2-112.5000109.7V133 Y191V133-H189 HydrophobicContact CG2-CB 4.38Å; H189-Y191 HydrophobicContact CB-CE2 3.73Å; H189-Y191 WeakPolarHBondContact O-CD2 3.49Å; H189-Y191 WeakPolarHBondContact O-CE2 3.27Å
190F76.1Confident70.1Confident84 Ų8488.8 Ų88.837%0.36845%0.451SS..  trans-87.8139.3178.3-66.7-96.1000111.3N185 L188 H230N185-F190 VanDerWaalsContact CA-CE2 3.47Å; N185-F190 HydrophobicContact CB-CE2 3.68Å; N185-F190 HydrophobicContact CB-CZ 3.64Å; N185-F190 WeakPolarHBondContact O-CE2 3.37Å; N185-F190 WeakPolarHBondContact OD1-CZ 3.39Å; L188-F190 HydrophobicContact CB-CD2 4.4Å; L188-F190 HydrophobicContact CB-CE2 3.66Å; L188-F190 HydrophobicContact CB-CZ 4Å; L188-F190 HydrophobicContact CD1-CZ 4.25Å; F190-H230 AromaticContact CD1-CD2 3.89Å; F190-H230 AromaticContact CE1-CD2 3.5Å; F190-H230 AromaticContact CE1-CE1 3.93Å; F190-H230 AromaticContact CE1-NE2 3.42Å; F190-H230 WeakPolarHBondContact CE1-NE2 3.48Å
191Y69.6Low72.4Confident86 Ų8686 Ų8634%0.33743%0.43SS..  trans-134.5137.5176.5-56.9-84.3000109.2G138 H189 M193G138-Y191 VanDerWaalsContact O-CE1 3.27Å; G138-Y191 WeakPolarHBondContact O-CE1 3.5Å; G138-Y191 PolarHBondContact O-OH 3.12Å; H189-Y191 HydrophobicContact CB-CE2 3.73Å; H189-Y191 WeakPolarHBondContact O-CD2 3.49Å; H189-Y191 WeakPolarHBondContact O-CE2 3.27Å; Y191-M193 HydrophobicContact CD2-CE 3.81Å; Y191-M193 HydrophobicContact CG-CE 3.83Å
192E79.4Confident74.7Confident148 Ų14881.3 Ų81.369%0.69241%0.406SS*.  trans-78.7120.1162.4-175167.1-131.200108T233E192-T233 VanDerWaalsContact OE1-CB 3.29Å; E192-T233 WeakPolarHBondContact OE1-CB 3.23Å; E192-T233 PolarHBondContact OE1-OG1 2.99Å
193M83.9Confident77.1Confident38 Ų3879 Ų7919%0.18739%0.393CS..  trans-123.4144.3-177.5-63.5-164.7-174.300110.3C140 Y191 L197 F219 E225 G226C140-M193 HydrophobicContact CB-CE 3.76Å; Y191-M193 HydrophobicContact CD2-CE 3.81Å; Y191-M193 HydrophobicContact CG-CE 3.83Å; M193-L197 HydrophobicContact CB-CD1 4.44Å; M193-F219 HydrophobicContact CB-CE2 4.19Å; M193-F219 HydrophobicContact CB-CZ 4.18Å; M193-F219 HydrophobicContact CG-CE2 4.48Å; M193-F219 HydrophobicContact CG-CZ 4.28Å; M193-F219 HydrophobicContact SD-CE2 3.53Å; M193-F219 VanDerWaalsContact SD-CE2 3.53Å; M193-F219 HydrophobicContact SD-CZ 3.47Å; M193-F219 WeakPolarHBondContact SD-CZ 3.43Å; M193-E225 VanDerWaalsContact CA-OE2 3.24Å; M193-E225 WeakPolarHBondContact CA-OE2 3.25Å; M193-E225 HydrophobicContact CB-CB 4.18Å; M193-E225 HydrophobicContact CB-CG 4.43Å; M193-E225 WeakPolarHBondContact CB-OE2 3.17Å; M193-E225 HydrophobicContact CG-CB 4.07Å; M193-E225 HydrophobicContact CG-CG 4.16Å; M193-E225 HydrophobicContact SD-CB 3.61Å; M193-E225 HydrophobicContact SD-CG 4.17Å; M193-G226 PolarHBondContact SD-N 2.92Å; M193-G226 VanDerWaalsContact SD-N 3.37Å
194K85.5Confident79.5Confident120 Ų12071.6 Ų71.652%0.52236%0.36SS..  trans-107.5150.6-165.573.6-157.9173.1-120.60113.5L197 H223 E225K194-L197 VanDerWaalsContact O-CD2 3.22Å; K194-L197 WeakPolarHBondContact O-CD2 3.44Å; K194-L197 WeakPolarHBondContact O-CG 3.48Å; K194-H223 PolarHBondContact O-CE1 2.9Å; K194-H223 PolarHBondContact O-NE2 3.08Å; K194-H223 VanDerWaalsContact O-NE2 3.12Å; K194-E225 WeakPolarHBondContact CE-OE1 3.42Å; K194-E225 PolarHBondContact N-OE2 2.92Å; K194-E225 IonicContact NZ-OE1 3.14Å; K194-E225 PolarHBondContact NZ-OE1 3Å
195A86.1Confident81.2Confident89 Ų8976.2 Ų76.274%0.73639%0.393SS*.SBendtrans-60.7149.1171.800000112.2
196P94.1Very high82.7Confident97 Ų9783.5 Ų83.563%0.6342%0.417SS*.  cis-84142.1-1.733.3-34.3000112.7H223P196-H223 PolarHBondContact O-NE2 2.62Å
197L95.8Very high84.9Confident52 Ų5279.1 Ų79.127%0.27240%0.4SS..  trans-124.1143.2174.4-56.3176000108.9M193 K194 F219M193-L197 HydrophobicContact CB-CD1 4.44Å; K194-L197 VanDerWaalsContact O-CD2 3.22Å; K194-L197 WeakPolarHBondContact O-CD2 3.44Å; K194-L197 WeakPolarHBondContact O-CG 3.48Å; L197-F219 HydrophobicContact CB-CD2 4Å; L197-F219 HydrophobicContact CD1-CD2 3.81Å; L197-F219 HydrophobicContact CD1-CE2 3.65Å; L197-F219 HydrophobicContact CD1-CZ 4.24Å; L197-F219 HydrophobicContact CD2-CD2 3.81Å; L197-F219 HydrophobicContact CD2-CE2 3.76Å; L197-F219 HydrophobicContact CG-CD2 4.07Å; L197-F219 HydrophobicContact CG-CE2 4.2Å
198V98.2Very high87.5Confident13 Ų1374.5 Ų74.58%0.07939%0.39CS..EExtended strand (participates in β ladder)trans-105.6105.2173.9-178.90000108.3P45 F46 F48 F219 F220P45-V198 HydrophobicContact CB-CG2 3.88Å; P45-V198 HydrophobicContact CG-CG2 4.24Å; F46-V198 HydrophobicContact CD1-CG1 3.92Å; F46-V198 HydrophobicContact CE1-CG1 4.47Å; F48-V198 HydrophobicContact CE1-CG1 4.43Å; F48-V198 HydrophobicContact CZ-CG1 4.42Å; V198-F219 VanDerWaalsContact O-CA 3.25Å; V198-F219 WeakPolarHBondContact O-CA 3.4Å; V198-F219 WeakPolarHBondContact O-CB 3.45Å; V198-F220 HydrophobicContact CB-CD1 4.34Å; V198-F220 HydrophobicContact CB-CD2 4.33Å; V198-F220 HydrophobicContact CB-CE1 3.96Å; V198-F220 HydrophobicContact CB-CE2 3.94Å; V198-F220 HydrophobicContact CB-CZ 3.75Å; V198-F220 HydrophobicContact CG1-CD1 4.49Å; V198-F220 HydrophobicContact CG1-CE1 3.7Å; V198-F220 HydrophobicContact CG1-CE2 4.23Å; V198-F220 HydrophobicContact CG1-CZ 3.55Å; V198-F220 HydrophobicContact CG2-CE2 4.23Å; V198-F220 HydrophobicContact CG2-CZ 4.35Å; V198-F220 PolarHBondContact N-O 3.15Å; V198-F220 PolarHBondContact O-N 2.65Å
199C97.7Very high89.1Confident56 Ų5675.1 Ų75.138%0.37841%0.408SS..EExtended strand (participates in β ladder)trans-93.4144.9-175.7-56.50000111.8P201 T217 F219C199-P201 VanDerWaalsContact O-CD 3.29Å; C199-P201 WeakPolarHBondContact O-CD 3.22Å; C199-T217 HydrophobicContact CB-CG2 3.9Å; C199-F219 HydrophobicContact CB-CB 4.22Å
200L98.4Very high91.1Very high4 Ų470.9 Ų70.92%0.02139%0.388CS..EExtended strand (participates in β ladder)trans-12165-178.6-56.3-176.8000110.8F48 L95 G96 M112 V114 H218 F220F48-L200 HydrophobicContact CE1-CD2 4.34Å; F48-L200 HydrophobicContact CZ-CD2 3.85Å; L95-L200 HydrophobicContact CD1-CD2 4.38Å; L95-L200 HydrophobicContact CD2-CD2 3.89Å; L95-L200 HydrophobicContact CG-CD2 4.5Å; G96-L200 CarbonylContact C-O 3.56Å; G96-L200 VanDerWaalsContact O-CB 3.28Å; G96-L200 WeakPolarHBondContact O-CB 3.24Å; M112-L200 HydrophobicContact CB-CD1 3.98Å; V114-L200 HydrophobicContact CG2-CD1 3.68Å; L200-H218 PolarHBondContact N-O 2.7Å; L200-F220 HydrophobicContact CD1-CD1 4.42Å; L200-F220 HydrophobicContact CD1-CE1 4.26Å; L200-F220 HydrophobicContact CD2-CE1 4.35Å; L200-F220 HydrophobicContact CG-CE1 4.39Å
201P97.4Very high92.1Very high42 Ų4268.1 Ų68.127%0.27338%0.377SS..EExtended strand (participates in β ladder)trans-70.4140.9-176.429.6-36.5000112.8C199 T217 F244C199-P201 VanDerWaalsContact O-CD 3.29Å; C199-P201 WeakPolarHBondContact O-CD 3.22Å; P201-T217 HydrophobicContact CB-CG2 4.05Å; P201-T217 WeakPolarHBondContact CB-OG1 3.41Å; P201-F244 HydrophobicContact CB-CE1 4.33Å; P201-F244 HydrophobicContact CG-CD1 4.4Å; P201-F244 HydrophobicContact CG-CE1 3.48Å; P201-F244 VanDerWaalsContact CG-CE1 3.48Å; P201-F244 HydrophobicContact CG-CZ 4.12Å
202V98.3Very high93.4Very high9 Ų964.3 Ų64.36%0.05536%0.362CS..EExtended strand (participates in β ladder)trans-129126162.8-179.30000107.9I59 N159 F161 H216I59-V202 HydrophobicContact CD1-CG1 4.08Å; I59-V202 HydrophobicContact CG1-CG1 4.12Å; I59-V202 HydrophobicContact CG2-CG1 4.07Å; N159-V202 HydrophobicContact CB-CB 4.38Å; N159-V202 WeakPolarHBondContact O-CG2 3.28Å; F161-V202 HydrophobicContact CB-CG2 4.14Å; V202-H216 PolarHBondContact N-O 2.82Å; V202-H216 PolarHBondContact O-N 3.26Å
203F95.9Very high94.1Very high96 Ų9658.4 Ų58.442%0.42133%0.334SS..EExtended strand (participates in β ladder)trans-141.8153.1178.359.6-94000112.7M20 L214 E215 F244M20-F203 HydrophobicContact CE-CZ 4.43Å; F203-L214 CarbonylContact C-O 3.45Å; F203-L214 WeakPolarHBondContact CA-O 3.18Å; F203-L214 WeakPolarHBondContact CB-O 3.27Å; F203-E215 HydrophobicContact CB-CG 4.09Å; F203-F244 AromaticContact CE1-CD1 3.77Å; F203-F244 HydrophobicContact CE1-CD1 3.77Å; F203-F244 AromaticContact CE1-CE1 3.69Å; F203-F244 HydrophobicContact CE1-CE1 3.69Å; F203-F244 HydrophobicContact CZ-CD1 4.16Å; F203-F244 HydrophobicContact CZ-CE1 4.39Å
204V95.1Very high94.6Very high13 Ų1360.2 Ų60.28%0.07934%0.344CS..  trans-137121.3179.7-177.40000108.6F8 I59 R206 L212 L214F8-V204 HydrophobicContact CE1-CG1 3.73Å; F8-V204 HydrophobicContact CZ-CG1 3.91Å; F8-V204 HydrophobicContact CZ-CG2 4.09Å; I59-V204 HydrophobicContact CD1-CG2 3.81Å; V204-R206 VanDerWaalsContact C-N 3.27Å; V204-R206 WeakPolarHBondContact CG1-O 3.25Å; V204-R206 PolarHBondContact O-N 3.37Å; V204-L212 HydrophobicContact CB-CD1 4.32Å; V204-L212 HydrophobicContact CG1-CD1 4.01Å; V204-L212 HydrophobicContact CG2-CD1 4.35Å; V204-L214 PolarHBondContact N-O 2.96Å
205S88.6Confident95Very high120 Ų12061.5 Ų61.584%0.83935%0.352SS*.SBendtrans-66.5-22.4-17059.60000115.3
206R92Very high95.6Very high206 Ų20657.5 Ų57.578%0.77732%0.318SS*.SBendtrans-154.4136.1174.7-60.2-173-179.2-178.1-0.6110.5V204 P208V204-R206 VanDerWaalsContact C-N 3.27Å; V204-R206 WeakPolarHBondContact CG1-O 3.25Å; V204-R206 PolarHBondContact O-N 3.37Å; R206-P208 WeakPolarHBondContact O-CD 3.15Å
207D95.5Very high95.8Very high60 Ų6054.1 Ų54.132%0.32130%0.295SS..  trans-72.9123.6169.7-171.2-10.8000110.7G209 F210 D211 L212 L214D207-G209 PolarHBondContact O-N 3.37Å; D207-G209 PolarHBondContact OD1-N 3.11Å; D207-F210 PolarHBondContact OD1-N 3.04Å; D207-D211 VanDerWaalsContact OD2-CA 3.26Å; D207-D211 WeakPolarHBondContact OD2-CA 3.15Å; D207-D211 PolarHBondContact OD2-N 2.67Å; D207-L212 HydrophobicContact CB-CB 4.43Å; D207-L212 HydrophobicContact CB-CD1 4.41Å; D207-L212 HydrophobicContact CB-CG 4.39Å; D207-L212 PolarHBondContact OD2-N 3.23Å; D207-L214 HydrophobicContact CB-CD2 3.99Å
208P93.4Very high95.9Very high57 Ų5751.6 Ų51.637%0.3728%0.282SS..  trans-74.4-5.3173-11.426.8000115.1F6 R206 F210F6-P208 HydrophobicContact CD1-CG 3.89Å; F6-P208 HydrophobicContact CD2-CB 4.15Å; F6-P208 HydrophobicContact CD2-CG 4.33Å; F6-P208 HydrophobicContact CE1-CB 4.16Å; F6-P208 HydrophobicContact CE1-CG 3.49Å; F6-P208 VanDerWaalsContact CE1-CG 3.49Å; F6-P208 HydrophobicContact CE2-CB 3.68Å; F6-P208 HydrophobicContact CE2-CG 3.97Å; F6-P208 HydrophobicContact CG-CG 4.3Å; F6-P208 HydrophobicContact CZ-CB 3.69Å; F6-P208 HydrophobicContact CZ-CG 3.54Å; R206-P208 WeakPolarHBondContact O-CD 3.15Å; P208-F210 HydrophobicContact CB-CD2 3.91Å; P208-F210 HydrophobicContact CB-CE2 3.94Å; P208-F210 HydrophobicContact CG-CD2 4Å; P208-F210 HydrophobicContact CG-CE2 4.26Å
209G96.1Very high95.9Very high61 Ų6151.5 Ų51.563%0.62928%0.281SS*.SBendtrans120.622.3-175.100000114.6D207D207-G209 PolarHBondContact O-N 3.37Å; D207-G209 PolarHBondContact OD1-N 3.11Å
210F96.7Very high96Very high38 Ų3849 Ų4917%0.16726%0.264CS..SBendtrans-103.23-175.3-71.1-73.9000114.4A4 F6 D207 P208 L212 L250 R252 Q255A4-F210 HydrophobicContact CB-CD1 4.43Å; A4-F210 HydrophobicContact CB-CE1 3.8Å; F6-F210 HydrophobicContact CB-CD2 4.49Å; F6-F210 HydrophobicContact CB-CE2 3.6Å; F6-F210 HydrophobicContact CB-CZ 3.85Å; F6-F210 AromaticContact CD2-CE2 3.74Å; F6-F210 HydrophobicContact CD2-CE2 3.74Å; F6-F210 HydrophobicContact CD2-CZ 4.33Å; F6-F210 AromaticContact CG-CE2 3.76Å; F6-F210 HydrophobicContact CG-CE2 3.76Å; F6-F210 HydrophobicContact CG-CZ 4.4Å; D207-F210 PolarHBondContact OD1-N 3.04Å; P208-F210 HydrophobicContact CB-CD2 3.91Å; P208-F210 HydrophobicContact CB-CE2 3.94Å; P208-F210 HydrophobicContact CG-CD2 4Å; P208-F210 HydrophobicContact CG-CE2 4.26Å; F210-L212 HydrophobicContact CB-CD2 3.7Å; F210-L212 HydrophobicContact CB-CG 4.08Å; F210-L250 HydrophobicContact CB-CD2 4.34Å; F210-L250 HydrophobicContact CD2-CD2 3.77Å; F210-L250 HydrophobicContact CE2-CD2 4.38Å; F210-L250 HydrophobicContact CG-CD2 4.15Å; F210-R252 HydrophobicContact CB-CB 4.34Å; F210-R252 HydrophobicContact CB-CG 4.1Å; F210-R252 HydrophobicContact CD1-CB 3.85Å; F210-R252 HydrophobicContact CD1-CG 4.13Å; F210-R252 HydrophobicContact CG-CB 4.34Å; F210-R252 WeakPolarHBondContact O-CD 3.5Å; F210-R252 PolarHBondContact O-NE 3.03Å; F210-Q255 PolarHBondContact O-NE2 2.79Å; F210-Q255 VanDerWaalsContact O-NE2 3.12Å
211D96.6Very high96Very high26 Ų2649.1 Ų49.114%0.13927%0.265CS..  trans5863.9-177.1-17133.2000111.3D207 R252 Q255 T259 R264D207-D211 VanDerWaalsContact OD2-CA 3.26Å; D207-D211 WeakPolarHBondContact OD2-CA 3.15Å; D207-D211 PolarHBondContact OD2-N 2.67Å; D211-R252 PolarHBondContact O-NH2 2.76Å; D211-Q255 HydrophobicContact CB-CG 4.36Å; D211-T259 PolarHBondContact OD1-OG1 3.44Å; D211-T259 VanDerWaalsContact OD2-CB 3.26Å; D211-T259 WeakPolarHBondContact OD2-CB 3.41Å; D211-T259 PolarHBondContact OD2-OG1 3.3Å; D211-R264 IonicContact OD1-CZ 3.81Å; D211-R264 IonicContact OD1-NH1 2.76Å; D211-R264 PolarHBondContact OD1-NH1 2.87Å; D211-R264 IonicContact OD1-NH2 3.53Å; D211-R264 PolarHBondContact OD1-NH2 3.03Å; D211-R264 IonicContact OD2-NH2 3.17Å
212L95.9Very high95.9Very high5 Ų554.4 Ų54.43%0.02628%0.279CS..  trans-89.2157-175.2-57-175.3000112.9E61 V204 D207 F210 L214 L250 R264E61-L212 HydrophobicContact CB-CD2 3.88Å; E61-L212 HydrophobicContact CG-CD2 3.64Å; E61-L212 WeakPolarHBondContact OE2-CA 3.15Å; V204-L212 HydrophobicContact CB-CD1 4.32Å; V204-L212 HydrophobicContact CG1-CD1 4.01Å; V204-L212 HydrophobicContact CG2-CD1 4.35Å; D207-L212 HydrophobicContact CB-CB 4.43Å; D207-L212 HydrophobicContact CB-CD1 4.41Å; D207-L212 HydrophobicContact CB-CG 4.39Å; D207-L212 PolarHBondContact OD2-N 3.23Å; F210-L212 HydrophobicContact CB-CD2 3.7Å; F210-L212 HydrophobicContact CB-CG 4.08Å; L212-L214 HydrophobicContact CB-CD2 4.46Å; L212-L250 HydrophobicContact CD1-CD2 3.93Å; L212-L250 HydrophobicContact CD2-CD1 4.17Å; L212-L250 HydrophobicContact CD2-CD2 4.09Å; L212-R264 PolarHBondContact O-NH1 2.61Å
213R95Very high95.8Very high24 Ų2457.2 Ų57.29%0.09129%0.292CS..  trans-90.9104.9158.3174.181.9-170-138.83.7106E61 E215 H216 H228 G263 R264 D265E61-R213 PolarHBondContact OE2-N 2.85Å; R213-E215 VanDerWaalsContact C-N 3.28Å; R213-E215 PolarHBondContact NE-O 2.89Å; R213-E215 PolarHBondContact NH2-O 3.16Å; R213-E215 PolarHBondContact O-N 2.86Å; R213-H216 HydrophobicContact CG-CB 3.8Å; R213-H228 PolarHBondContact NH2-CE1 3.19Å; R213-H228 VanDerWaalsContact NH2-CE1 3.31Å; R213-H228 PolarHBondContact NH2-NE2 3.43Å; R213-H228 VanDerWaalsContact NH2-NE2 3.12Å; R213-G263 PolarHBondContact NH1-O 2.83Å; R213-R264 PolarHBondContact NE-O 3.08Å; R213-R264 PolarHBondContact NH2-O 3.27Å; R213-D265 VanDerWaalsContact CZ-O 3.24Å; R213-D265 PolarHBondContact NH1-O 3.15Å; R213-D265 PolarHBondContact NH2-O 2.92Å
214L94.8Very high95.8Very high76 Ų7654.2 Ų54.240%0.39829%0.288SS..SBendtrans-63.9-32.3-170.3-64.6-178.6000113.3F203 V204 D207 L212F203-L214 CarbonylContact C-O 3.45Å; F203-L214 WeakPolarHBondContact CA-O 3.18Å; F203-L214 WeakPolarHBondContact CB-O 3.27Å; V204-L214 PolarHBondContact N-O 2.96Å; D207-L214 HydrophobicContact CB-CD2 3.99Å; L212-L214 HydrophobicContact CB-CD2 4.46Å
215E94.5Very high95.9Very high147 Ų14755.2 Ų55.269%0.68729%0.292SS*.EExtended strand (participates in β ladder)trans-140.3126.5179.9-64-179.6-138.700108.7F203 R213F203-E215 HydrophobicContact CB-CG 4.09Å; R213-E215 VanDerWaalsContact C-N 3.28Å; R213-E215 PolarHBondContact NE-O 2.89Å; R213-E215 PolarHBondContact NH2-O 3.16Å; R213-E215 PolarHBondContact O-N 2.86Å
216H97.6Very high96.4Very high5 Ų549.7 Ų49.72%0.02325%0.253CS..EExtended strand (participates in β ladder)trans-149.4119.2176.2-160.4173.7000110.1A97 N159 V202 R213 H218 H228A97-H216 HydrophobicContact CB-CB 4.33Å; A97-H216 VanDerWaalsContact CB-CD2 3.48Å; A97-H216 WeakPolarHBondContact CB-CD2 3.35Å; N159-H216 HydrophobicContact CB-CB 3.98Å; N159-H216 PolarHBondContact OD1-ND1 3.14Å; V202-H216 PolarHBondContact N-O 2.82Å; V202-H216 PolarHBondContact O-N 3.26Å; R213-H216 HydrophobicContact CG-CB 3.8Å; H216-H218 AromaticContact CD2-CD2 3.85Å; H216-H218 AromaticContact CD2-NE2 3.95Å; H216-H218 AromaticContact NE2-CD2 3.5Å; H216-H218 PolarHBondContact NE2-CD2 2.56Å; H216-H218 AromaticContact NE2-CE1 3.9Å; H216-H218 AromaticContact NE2-NE2 3.13Å; H216-H218 PolarHBondContact NE2-NE2 3.24Å; H216-H218 VanDerWaalsContact NE2-NE2 3.13Å; H216-H228 AromaticContact CD2-CE1 3.19Å; H216-H228 PolarHBondContact CD2-CE1 3.45Å; H216-H228 AromaticContact CD2-ND1 3.65Å; H216-H228 AromaticContact NE2-CE1 3.2Å; H216-H228 PolarHBondContact NE2-CE1 3.11Å; H216-H228 AromaticContact NE2-ND1 3.33Å; H216-H228 PolarHBondContact NE2-ND1 2.95Å
217T98.1Very high96.6Very high26 Ų2640.2 Ų40.216%0.1622%0.22CC..EExtended strand (participates in β ladder)trans-131.2115.2-178.4-57.20000110C199 P201 Y229C199-T217 HydrophobicContact CB-CG2 3.9Å; P201-T217 HydrophobicContact CB-CG2 4.05Å; P201-T217 WeakPolarHBondContact CB-OG1 3.41Å; T217-Y229 HydrophobicContact CG2-CD1 4.27Å; T217-Y229 HydrophobicContact CG2-CG 4.3Å; T217-Y229 PolarHBondContact O-N 2.64Å
218H98.6Very high96.6Very high0 Ų039.1 Ų39.10%021%0.213CC..EExtended strand (participates in β ladder)trans-104.4156.9166.1-77.4-167.7000110.2A97 G98 E110 F111 M112 L200 H216 G227 H228A97-H218 HydrophobicContact CB-CB 3.73Å; A97-H218 VanDerWaalsContact CB-CG 3.44Å; G98-H218 PolarHBondContact N-ND1 2.79Å; G98-H218 PolarHBondContact O-CE1 3.16Å; G98-H218 VanDerWaalsContact O-CE1 3.23Å; E110-H218 IonicContact OE2-CE1 2.61Å; E110-H218 PolarHBondContact OE2-CE1 3.42Å; E110-H218 IonicContact OE2-NE2 3.05Å; F111-H218 PolarHBondContact O-ND1 2.88Å; M112-H218 HydrophobicContact CG-CB 3.85Å; M112-H218 HydrophobicContact SD-CB 3.93Å; L200-H218 PolarHBondContact N-O 2.7Å; H216-H218 AromaticContact CD2-CD2 3.85Å; H216-H218 AromaticContact CD2-NE2 3.95Å; H216-H218 AromaticContact NE2-CD2 3.5Å; H216-H218 PolarHBondContact NE2-CD2 2.56Å; H216-H218 AromaticContact NE2-CE1 3.9Å; H216-H218 AromaticContact NE2-NE2 3.13Å; H216-H218 PolarHBondContact NE2-NE2 3.24Å; H216-H218 VanDerWaalsContact NE2-NE2 3.13Å; H218-G227 CarbonylContact C-O 3.57Å; H218-G227 WeakPolarHBondContact CA-O 3.41Å; H218-H228 AromaticContact CD2-CG 3.82Å; H218-H228 AromaticContact CD2-ND1 3.36Å; H218-H228 PolarHBondContact CD2-ND1 3.38Å; H218-H228 AromaticContact NE2-CG 3.74Å; H218-H228 AromaticContact NE2-ND1 3Å; H218-H228 PolarHBondContact NE2-ND1 3.01Å
219F98.5Very high96.6Very high10 Ų1038.9 Ų38.94%0.04421%0.205CC..EExtended strand (participates in β ladder)trans-144.9159.3-178.167.7-87000113.3M112 M193 L197 V198 C199 G226 G227 H228M112-F219 WeakPolarHBondContact CE-O 3.48Å; M112-F219 WeakPolarHBondContact CG-O 3.23Å; M193-F219 HydrophobicContact CB-CE2 4.19Å; M193-F219 HydrophobicContact CB-CZ 4.18Å; M193-F219 HydrophobicContact CG-CE2 4.48Å; M193-F219 HydrophobicContact CG-CZ 4.28Å; M193-F219 HydrophobicContact SD-CE2 3.53Å; M193-F219 VanDerWaalsContact SD-CE2 3.53Å; M193-F219 HydrophobicContact SD-CZ 3.47Å; M193-F219 WeakPolarHBondContact SD-CZ 3.43Å; L197-F219 HydrophobicContact CB-CD2 4Å; L197-F219 HydrophobicContact CD1-CD2 3.81Å; L197-F219 HydrophobicContact CD1-CE2 3.65Å; L197-F219 HydrophobicContact CD1-CZ 4.24Å; L197-F219 HydrophobicContact CD2-CD2 3.81Å; L197-F219 HydrophobicContact CD2-CE2 3.76Å; L197-F219 HydrophobicContact CG-CD2 4.07Å; L197-F219 HydrophobicContact CG-CE2 4.2Å; V198-F219 VanDerWaalsContact O-CA 3.25Å; V198-F219 WeakPolarHBondContact O-CA 3.4Å; V198-F219 WeakPolarHBondContact O-CB 3.45Å; C199-F219 HydrophobicContact CB-CB 4.22Å; F219-G226 CarbonylContact O-C 3.52Å; F219-G226 WeakPolarHBondContact O-CA 3.24Å; F219-G227 VanDerWaalsContact CD1-O 3.25Å; F219-G227 WeakPolarHBondContact CD1-O 3.41Å; F219-G227 PolarHBondContact N-O 3.18Å; F219-G227 PolarHBondContact O-N 3.48Å; F219-H228 WeakPolarHBondContact CE1-O 3.19Å
220F98.6Very high96.3Very high4 Ų438.5 Ų38.52%0.01819%0.187CC..EExtended strand (participates in β ladder)trans-137.6165174.267.6-90.5000110.5F48 M112 V114 Y129 L142 V198 L200F48-F220 HydrophobicContact CE1-CE1 4.32Å; F48-F220 HydrophobicContact CE1-CZ 4.08Å; M112-F220 HydrophobicContact CB-CD1 4.22Å; M112-F220 HydrophobicContact CE-CB 4.34Å; M112-F220 HydrophobicContact CG-CB 4.35Å; M112-F220 HydrophobicContact CG-CD1 4.38Å; V114-F220 HydrophobicContact CG2-CE1 4.1Å; Y129-F220 HydrophobicContact CD1-CB 4.46Å; Y129-F220 HydrophobicContact CD1-CD2 4.47Å; Y129-F220 HydrophobicContact CD2-CB 4.02Å; Y129-F220 AromaticContact CD2-CD1 3.85Å; Y129-F220 HydrophobicContact CD2-CD1 3.85Å; Y129-F220 AromaticContact CD2-CD2 3.63Å; Y129-F220 HydrophobicContact CD2-CD2 3.63Å; Y129-F220 HydrophobicContact CD2-CE1 4.18Å; Y129-F220 AromaticContact CD2-CE2 3.99Å; Y129-F220 HydrophobicContact CD2-CE2 3.99Å; Y129-F220 AromaticContact CD2-CG 3.55Å; Y129-F220 HydrophobicContact CD2-CG 3.55Å; Y129-F220 HydrophobicContact CD2-CZ 4.25Å; Y129-F220 HydrophobicContact CE1-CD2 4.25Å; Y129-F220 HydrophobicContact CE2-CD1 4.22Å; Y129-F220 AromaticContact CE2-CD2 3.38Å; Y129-F220 HydrophobicContact CE2-CD2 3.38Å; Y129-F220 HydrophobicContact CE2-CE1 4.2Å; Y129-F220 AromaticContact CE2-CE2 3.38Å; Y129-F220 HydrophobicContact CE2-CE2 3.38Å; Y129-F220 AromaticContact CE2-CG 3.83Å; Y129-F220 HydrophobicContact CE2-CG 3.83Å; Y129-F220 AromaticContact CE2-CZ 3.8Å; Y129-F220 HydrophobicContact CE2-CZ 3.8Å; Y129-F220 HydrophobicContact CG-CB 3.96Å; Y129-F220 HydrophobicContact CG-CD2 4.19Å; Y129-F220 HydrophobicContact CG-CG 4.01Å; Y129-F220 AromaticContact CZ-CD2 3.72Å; Y129-F220 AromaticContact CZ-CE2 3.83Å; L142-F220 HydrophobicContact CD1-CB 3.98Å; L142-F220 HydrophobicContact CD2-CB 4Å; V198-F220 HydrophobicContact CB-CD1 4.34Å; V198-F220 HydrophobicContact CB-CD2 4.33Å; V198-F220 HydrophobicContact CB-CE1 3.96Å; V198-F220 HydrophobicContact CB-CE2 3.94Å; V198-F220 HydrophobicContact CB-CZ 3.75Å; V198-F220 HydrophobicContact CG1-CD1 4.49Å; V198-F220 HydrophobicContact CG1-CE1 3.7Å; V198-F220 HydrophobicContact CG1-CE2 4.23Å; V198-F220 HydrophobicContact CG1-CZ 3.55Å; V198-F220 HydrophobicContact CG2-CE2 4.23Å; V198-F220 HydrophobicContact CG2-CZ 4.35Å; V198-F220 PolarHBondContact N-O 3.15Å; V198-F220 PolarHBondContact O-N 2.65Å; L200-F220 HydrophobicContact CD1-CD1 4.42Å; L200-F220 HydrophobicContact CD1-CE1 4.26Å; L200-F220 HydrophobicContact CD2-CE1 4.35Å; L200-F220 HydrophobicContact CG-CE1 4.39Å
221S98.1Very high95.8Very high7 Ų742 Ų425%0.04920%0.199CC..  trans-138.6-176.1179.174.10000111.9L142 H223 G224 E225L142-S221 WeakPolarHBondContact CD2-O 3.23Å; S221-H223 PolarHBondContact OG-N 2.98Å; S221-G224 PolarHBondContact OG-N 2.94Å; S221-E225 WeakPolarHBondContact CB-O 3.45Å; S221-E225 PolarHBondContact N-O 2.81Å; S221-E225 VanDerWaalsContact N-O 3.11Å; S221-E225 PolarHBondContact OG-N 3.14Å; S221-E225 PolarHBondContact OG-O 3.1Å
222R96.2Very high95.4Very high153 Ų15342 Ų4258%0.57720%0.199SC*.SBendtrans-105.75.2171.1-69.2-177.5163.4-1493.4113.5E44 T47E44-R222 IonicContact OE1-CZ 3.25Å; E44-R222 IonicContact OE1-NH1 3.66Å; E44-R222 PolarHBondContact OE1-NH1 2.84Å; E44-R222 IonicContact OE1-NH2 3.65Å; E44-R222 PolarHBondContact OE1-NH2 3.25Å; E44-R222 IonicContact OE2-CZ 3.09Å; E44-R222 IonicContact OE2-NE 3.98Å; E44-R222 PolarHBondContact OE2-NE 2.85Å; E44-R222 IonicContact OE2-NH1 2.76Å; E44-R222 PolarHBondContact OE2-NH1 3.44Å; E44-R222 IonicContact OE2-NH2 2.76Å; E44-R222 PolarHBondContact OE2-NH2 2.74Å; T47-R222 PolarHBondContact OG1-NH2 3.03Å
223H96.8Very high95.2Very high68 Ų6845.5 Ų45.532%0.31522%0.221SC..SBendtrans-117.85.3-177.154.579000113.8K194 P196 S221 E225K194-H223 PolarHBondContact O-CE1 2.9Å; K194-H223 PolarHBondContact O-NE2 3.08Å; K194-H223 VanDerWaalsContact O-NE2 3.12Å; P196-H223 PolarHBondContact O-NE2 2.62Å; S221-H223 PolarHBondContact OG-N 2.98Å; H223-E225 IonicContact CE1-OE2 2.65Å; H223-E225 PolarHBondContact CE1-OE2 3.08Å; H223-E225 VanDerWaalsContact CE1-OE2 3.25Å; H223-E225 IonicContact ND1-OE1 3.01Å; H223-E225 IonicContact ND1-OE2 2.86Å
224G96.2Very high95Very high33 Ų3347.3 Ų47.334%0.3424%0.235SC..SBendtrans108.7-6.7170.200000114.9C140 L142 S221C140-G224 PolarHBondContact SG-O 2.83Å; C140-G224 VanDerWaalsContact SG-O 3.36Å; L142-G224 WeakPolarHBondContact CB-O 3.19Å; S221-G224 PolarHBondContact OG-N 2.94Å
225E97.1Very high94.6Very high34 Ų3448 Ų4816%0.15924%0.244CC..  trans-97133.9-175.7-72.1167.7-150.500111.6L142 M193 K194 S221 H223L142-E225 WeakPolarHBondContact CD2-O 3.29Å; M193-E225 VanDerWaalsContact CA-OE2 3.24Å; M193-E225 WeakPolarHBondContact CA-OE2 3.25Å; M193-E225 HydrophobicContact CB-CB 4.18Å; M193-E225 HydrophobicContact CB-CG 4.43Å; M193-E225 WeakPolarHBondContact CB-OE2 3.17Å; M193-E225 HydrophobicContact CG-CB 4.07Å; M193-E225 HydrophobicContact CG-CG 4.16Å; M193-E225 HydrophobicContact SD-CB 3.61Å; M193-E225 HydrophobicContact SD-CG 4.17Å; K194-E225 WeakPolarHBondContact CE-OE1 3.42Å; K194-E225 PolarHBondContact N-OE2 2.92Å; K194-E225 IonicContact NZ-OE1 3.14Å; K194-E225 PolarHBondContact NZ-OE1 3Å; S221-E225 WeakPolarHBondContact CB-O 3.45Å; S221-E225 PolarHBondContact N-O 2.81Å; S221-E225 VanDerWaalsContact N-O 3.11Å; S221-E225 PolarHBondContact OG-N 3.14Å; S221-E225 PolarHBondContact OG-O 3.1Å; H223-E225 IonicContact CE1-OE2 2.65Å; H223-E225 PolarHBondContact CE1-OE2 3.08Å; H223-E225 VanDerWaalsContact CE1-OE2 3.25Å; H223-E225 IonicContact ND1-OE1 3.01Å; H223-E225 IonicContact ND1-OE2 2.86Å
226G97.4Very high94.3Very high3 Ų348.7 Ų48.73%0.03125%0.253CS..  trans-176.7164.4178.400000112A131 C140 M193 F219A131-G226 VanDerWaalsContact CB-O 3.25Å; A131-G226 WeakPolarHBondContact CB-O 3.33Å; C140-G226 PolarHBondContact SG-O 2.83Å; C140-G226 VanDerWaalsContact SG-O 3.37Å; M193-G226 PolarHBondContact SD-N 2.92Å; M193-G226 VanDerWaalsContact SD-N 3.37Å; F219-G226 CarbonylContact O-C 3.52Å; F219-G226 WeakPolarHBondContact O-CA 3.24Å
227G96.3Very high94Very high7 Ų754.8 Ų54.87%0.07228%0.284CS..EExtended strand (participates in β ladder)trans146.7-149.4-176.800000112.7H218 F219H218-G227 CarbonylContact C-O 3.57Å; H218-G227 WeakPolarHBondContact CA-O 3.41Å; F219-G227 VanDerWaalsContact CD1-O 3.25Å; F219-G227 WeakPolarHBondContact CD1-O 3.41Å; F219-G227 PolarHBondContact N-O 3.18Å; F219-G227 PolarHBondContact O-N 3.48Å
228H96.1Very high93.6Very high38 Ų3854.9 Ų54.918%0.17628%0.284CS..EExtended strand (participates in β ladder)trans-83.7134.5176.6-159.9102.8000111.5R213 H216 H218 F219 H230 D265R213-H228 PolarHBondContact NH2-CE1 3.19Å; R213-H228 VanDerWaalsContact NH2-CE1 3.31Å; R213-H228 PolarHBondContact NH2-NE2 3.43Å; R213-H228 VanDerWaalsContact NH2-NE2 3.12Å; H216-H228 AromaticContact CD2-CE1 3.19Å; H216-H228 PolarHBondContact CD2-CE1 3.45Å; H216-H228 AromaticContact CD2-ND1 3.65Å; H216-H228 AromaticContact NE2-CE1 3.2Å; H216-H228 PolarHBondContact NE2-CE1 3.11Å; H216-H228 AromaticContact NE2-ND1 3.33Å; H216-H228 PolarHBondContact NE2-ND1 2.95Å; H218-H228 AromaticContact CD2-CG 3.82Å; H218-H228 AromaticContact CD2-ND1 3.36Å; H218-H228 PolarHBondContact CD2-ND1 3.38Å; H218-H228 AromaticContact NE2-CG 3.74Å; H218-H228 AromaticContact NE2-ND1 3Å; H218-H228 PolarHBondContact NE2-ND1 3.01Å; F219-H228 WeakPolarHBondContact CE1-O 3.19Å; H228-H230 AromaticContact CD2-CE1 3.45Å; H228-H230 PolarHBondContact CD2-CE1 2.92Å; H228-H230 VanDerWaalsContact CD2-CE1 3.45Å; H228-H230 AromaticContact CD2-ND1 3.76Å; H228-H230 AromaticContact CD2-NE2 3.84Å; H228-D265 PolarHBondContact NE2-O 2.87Å
229Y93.3Very high93.1Very high52 Ų5263.2 Ų63.220%0.20432%0.323CS..  trans-97.8133175.5167.2-84.1000110.5T217 Y231 Y240T217-Y229 HydrophobicContact CG2-CD1 4.27Å; T217-Y229 HydrophobicContact CG2-CG 4.3Å; T217-Y229 PolarHBondContact O-N 2.64Å; Y229-Y231 WeakPolarHBondContact OH-CA 3.46Å; Y229-Y240 PolarHBondContact OH-OH 2.67Å
230H89.2Confident92.5Very high53 Ų5367 Ų6725%0.24534%0.338CS..  trans-110.3-62.2172.7-55.1-80.5000111F190 H228 D265F190-H230 AromaticContact CD1-CD2 3.89Å; F190-H230 AromaticContact CE1-CD2 3.5Å; F190-H230 AromaticContact CE1-CE1 3.93Å; F190-H230 AromaticContact CE1-NE2 3.42Å; F190-H230 WeakPolarHBondContact CE1-NE2 3.48Å; H228-H230 AromaticContact CD2-CE1 3.45Å; H228-H230 PolarHBondContact CD2-CE1 2.92Å; H228-H230 VanDerWaalsContact CD2-CE1 3.45Å; H228-H230 AromaticContact CD2-ND1 3.76Å; H228-H230 AromaticContact CD2-NE2 3.84Å; H230-D265 PolarHBondContact CE1-OXT 3.38Å; H230-D265 VanDerWaalsContact CE1-OXT 3.25Å; H230-D265 PolarHBondContact ND1-OXT 3.29Å
231Y86.3Confident92.1Very high110 Ų11071.9 Ų71.943%0.43136%0.364SS..  trans-159.1166.1177.944.1-94.7000110.1Y229Y229-Y231 WeakPolarHBondContact OH-CA 3.46Å
232D88.2Confident91.6Very high26 Ų2672.3 Ų72.314%0.13937%0.37CS..  trans-79.9159.3168.768.4-70.6000112.5C176 P177 T234 P235 V238C176-D232 VanDerWaalsContact SG-CG 3.54Å; C176-D232 PolarHBondContact SG-OD1 3.43Å; P177-D232 WeakPolarHBondContact CD-OD1 3.42Å; P177-D232 WeakPolarHBondContact CG-OD1 3.17Å; D232-T234 PolarHBondContact OD2-N 2.65Å; D232-P235 WeakPolarHBondContact OD2-CA 3.48Å; D232-V238 HydrophobicContact CB-CG2 4.01Å
233T92.1Very high91.4Very high79 Ų7967.4 Ų67.449%0.48535%0.351SS..SBendtrans-105.93.617753.30000113E192E192-T233 VanDerWaalsContact OE1-CB 3.29Å; E192-T233 WeakPolarHBondContact OE1-CB 3.23Å; E192-T233 PolarHBondContact OE1-OG1 2.99Å
234T90.2Very high91.2Very high62 Ų6266.7 Ų66.738%0.3835%0.348SS..  trans-135.154.9-168.156.90000113.1D232 D236 I237 V238D232-T234 PolarHBondContact OD2-N 2.65Å; T234-D236 PolarHBondContact O-N 2.93Å; T234-I237 HydrophobicContact CG2-CD1 4.5Å; T234-I237 WeakPolarHBondContact O-CG1 3.35Å; T234-I237 PolarHBondContact O-N 3.33Å; T234-V238 PolarHBondContact O-N 3.27Å
235P87.2Confident91Very high92 Ų9266.6 Ų66.660%0.59734%0.339SS*.THydrogen-bonded Turntrans-62.2-22.4-167.124.6-36.2000114.9D232 I237D232-P235 WeakPolarHBondContact OD2-CA 3.48Å; P235-I237 VanDerWaalsContact C-N 3.3Å; P235-I237 PolarHBondContact O-N 3.01Å
236D88.1Confident90.8Very high161 Ų16166.3 Ų66.386%0.86134%0.34SS*.THydrogen-bonded Turntrans-74.1-16.3177.5-61.6-41.1000113.8T234T234-D236 PolarHBondContact O-N 2.93Å
237I90.9Very high90.7Very high133 Ų13366.5 Ų66.568%0.68234%0.341SS*.THydrogen-bonded Turntrans-139.410.8-169.762.5166.7000114.2T234 P235T234-I237 HydrophobicContact CG2-CD1 4.5Å; T234-I237 WeakPolarHBondContact O-CG1 3.35Å; T234-I237 PolarHBondContact O-N 3.33Å; P235-I237 VanDerWaalsContact C-N 3.3Å; P235-I237 PolarHBondContact O-N 3.01Å
238V90.9Very high90.6Very high27 Ų2769.6 Ų69.616%0.16435%0.354CS..  trans-83.8130-176.759.90000111.7S175 C176 D232 T234 Y240S175-V238 PolarHBondContact OG-O 3.39Å; C176-V238 WeakPolarHBondContact SG-CG1 3.44Å; C176-V238 VanDerWaalsContact SG-CG2 3.55Å; D232-V238 HydrophobicContact CB-CG2 4.01Å; T234-V238 PolarHBondContact O-N 3.27Å; V238-Y240 HydrophobicContact CG2-CD1 4.18Å; V238-Y240 HydrophobicContact CG2-CE1 3.5Å
239E87Confident90.7Very high175 Ų17570.3 Ų70.382%0.81836%0.357SS*.  trans-121.6126.6176.8-66.4178.4-153.500110S175S175-E239 WeakPolarHBondContact OG-CA 3.43Å
240Y87.4Confident91Very high89 Ų8967.9 Ų67.935%0.34935%0.347SS..  trans-111.1151.4165.8-60.6-20.8000112S174 S175 C176 Y229 V238S174-Y240 WeakPolarHBondContact CA-O 3.47Å; S174-Y240 WeakPolarHBondContact CB-O 3.35Å; S174-Y240 PolarHBondContact OG-O 2.83Å; S175-Y240 VanDerWaalsContact CB-CG 3.43Å; S175-Y240 PolarHBondContact OG-N 2.84Å; C176-Y240 HydrophobicContact CB-CD2 4.26Å; C176-Y240 HydrophobicContact CB-CE2 3.52Å; C176-Y240 VanDerWaalsContact SG-CZ 3.57Å; C176-Y240 PolarHBondContact SG-OH 3.1Å; C176-Y240 VanDerWaalsContact SG-OH 3.36Å; Y229-Y240 PolarHBondContact OH-OH 2.67Å; V238-Y240 HydrophobicContact CG2-CD1 4.18Å; V238-Y240 HydrophobicContact CG2-CE1 3.5Å
241L88.2Confident91.4Very high107 Ų10765.6 Ų65.656%0.5634%0.336SS*.  trans-136.9109.4166.4176.461.9000107.7E172 F173 Y243E172-L241 HydrophobicContact CG-CD1 3.96Å; F173-L241 WeakPolarHBondContact O-CA 3.31Å; L241-Y243 HydrophobicContact CD1-CE1 4.48Å; L241-Y243 HydrophobicContact CG-CE2 4.29Å
242G89.1Confident92Very high17 Ų1760.6 Ų60.618%0.17532%0.317CS..EExtended strand (participates in β ladder)trans-130.2145.7-177.800000113.1E172 F173 F244E172-G242 WeakPolarHBondContact CA-O 3.37Å; F173-G242 PolarHBondContact N-O 2.93Å; F173-G242 PolarHBondContact O-N 3.16Å; G242-F244 VanDerWaalsContact C-CE2 3.45Å
243Y92.4Very high92.5Very high50 Ų5059.3 Ų59.320%0.19631%0.31CS..EExtended strand (participates in β ladder)trans-117.9119.8179.8-60.2-68.5000110.3V36 P39 F46 I53 P170 A171 E172 L241V36-Y243 HydrophobicContact CG2-CD1 4.34Å; V36-Y243 HydrophobicContact CG2-CE1 4.13Å; P39-Y243 HydrophobicContact CG-CD2 3.99Å; P39-Y243 HydrophobicContact CG-CE1 4.33Å; P39-Y243 HydrophobicContact CG-CE2 3.53Å; F46-Y243 HydrophobicContact CE2-CD2 4.38Å; F46-Y243 HydrophobicContact CE2-CE2 4.18Å; F46-Y243 AromaticContact CZ-CD2 3.93Å; F46-Y243 HydrophobicContact CZ-CD2 3.93Å; F46-Y243 AromaticContact CZ-CE2 3.97Å; F46-Y243 HydrophobicContact CZ-CE2 3.97Å; I53-Y243 WeakPolarHBondContact CD1-O 3.18Å; P170-Y243 HydrophobicContact CG-CD1 4.12Å; P170-Y243 HydrophobicContact CG-CG 4.46Å; A171-Y243 WeakPolarHBondContact O-CA 3.22Å; E172-Y243 HydrophobicContact CB-CE1 4.43Å; E172-Y243 HydrophobicContact CG-CE1 4.28Å; L241-Y243 HydrophobicContact CD1-CE1 4.48Å; L241-Y243 HydrophobicContact CG-CE2 4.29Å
244F92Very high92.8Very high53 Ų5357 Ų5723%0.23230%0.295CS..EExtended strand (participates in β ladder)trans-132.3159.7-170.4-54.6-105.1000112.8P170 A171 F173 P201 F203 G242P170-F244 WeakPolarHBondContact CA-O 3.31Å; P170-F244 VanDerWaalsContact CB-O 3.27Å; P170-F244 WeakPolarHBondContact CB-O 3.44Å; A171-F244 PolarHBondContact N-O 2.87Å; A171-F244 PolarHBondContact O-N 3.06Å; F173-F244 HydrophobicContact CB-CE2 4.46Å; F173-F244 AromaticContact CD2-CD2 3.25Å; F173-F244 HydrophobicContact CD2-CD2 3.25Å; F173-F244 AromaticContact CD2-CE2 3.49Å; F173-F244 HydrophobicContact CD2-CE2 3.49Å; F173-F244 VanDerWaalsContact CD2-CE2 3.49Å; F173-F244 HydrophobicContact CD2-CG 4.28Å; F173-F244 HydrophobicContact CE2-CB 4.11Å; F173-F244 AromaticContact CE2-CD2 3.46Å; F173-F244 HydrophobicContact CE2-CD2 3.46Å; F173-F244 VanDerWaalsContact CE2-CD2 3.46Å; F173-F244 HydrophobicContact CE2-CE2 4.14Å; F173-F244 HydrophobicContact CE2-CG 4.1Å; F173-F244 HydrophobicContact CG-CD2 4.4Å; F173-F244 HydrophobicContact CG-CE2 4.29Å; P201-F244 HydrophobicContact CB-CE1 4.33Å; P201-F244 HydrophobicContact CG-CD1 4.4Å; P201-F244 HydrophobicContact CG-CE1 3.48Å; P201-F244 VanDerWaalsContact CG-CE1 3.48Å; P201-F244 HydrophobicContact CG-CZ 4.12Å; F203-F244 AromaticContact CE1-CD1 3.77Å; F203-F244 HydrophobicContact CE1-CD1 3.77Å; F203-F244 AromaticContact CE1-CE1 3.69Å; F203-F244 HydrophobicContact CE1-CE1 3.69Å; F203-F244 HydrophobicContact CZ-CD1 4.16Å; F203-F244 HydrophobicContact CZ-CE1 4.39Å; G242-F244 VanDerWaalsContact C-CE2 3.45Å
245L92Very high93.2Very high31 Ų3157.6 Ų57.616%0.16229%0.293CS..  trans-140.3145.5173.1-75.3169.5000110L13 I53 C54 T57 F161 K169 P170L13-L245 HydrophobicContact CD2-CD2 3.96Å; I53-L245 HydrophobicContact CB-CD1 4.4Å; I53-L245 HydrophobicContact CD1-CD1 4.12Å; I53-L245 HydrophobicContact CD1-CG 4.17Å; I53-L245 HydrophobicContact CG1-CD1 3.91Å; I53-L245 HydrophobicContact CG1-CG 4.47Å; I53-L245 VanDerWaalsContact O-CD1 3.27Å; I53-L245 WeakPolarHBondContact O-CD1 3.48Å; C54-L245 HydrophobicContact CB-CD1 4.32Å; T57-L245 HydrophobicContact CG2-CB 4.16Å; T57-L245 HydrophobicContact CG2-CD1 3.85Å; F161-L245 HydrophobicContact CE2-CB 4.37Å; F161-L245 HydrophobicContact CZ-CB 4.31Å; F161-L245 HydrophobicContact CZ-CD1 4.49Å; K169-L245 WeakPolarHBondContact O-CD2 3.32Å; P170-L245 HydrophobicContact CB-CD2 4.45Å; P170-L245 HydrophobicContact CB-CG 4.32Å
246P92.1Very high93.6Very high27 Ų2753.5 Ų53.518%0.17527%0.267CS..  trans-64.3146.5164.829.9-33.5000110V10 L13 L16 T57V10-P246 HydrophobicContact CG1-CB 4.32Å; V10-P246 HydrophobicContact CG1-CG 3.96Å; L13-P246 HydrophobicContact CD2-CG 4.24Å; L16-P246 HydrophobicContact CD2-CB 4.41Å; L16-P246 HydrophobicContact CD2-CG 4.28Å; T57-P246 WeakPolarHBondContact CB-O 3.18Å; T57-P246 PolarHBondContact OG1-O 3.14Å
247A95.8Very high94Very high8 Ų855.7 Ų55.77%0.06627%0.269CS..  trans-85.1139.1169.100000110.4F8 I59F8-A247 WeakPolarHBondContact CB-O 2.9Å; F8-A247 HydrophobicContact CD2-CB 3.85Å; F8-A247 WeakPolarHBondContact CD2-O 3.23Å; F8-A247 HydrophobicContact CE2-CB 3.98Å; I59-A247 HydrophobicContact CB-CB 4.5Å; I59-A247 HydrophobicContact CD1-CB 4.07Å; I59-A247 HydrophobicContact CG1-CB 3.86Å
248E94.9Very high94.1Very high71 Ų7157.5 Ų57.533%0.33227%0.274SS..SBendtrans-72.6-37.1171.5-61.8161.6-163.800111.1F8 K56 T57F8-E248 PolarHBondContact N-O 3.46Å; K56-E248 WeakPolarHBondContact CA-OE1 3.36Å; T57-E248 WeakPolarHBondContact O-CB 3.37Å; T57-E248 PolarHBondContact O-N 2.8Å; T57-E248 PolarHBondContact OG1-N 2.85Å
249F98.1Very high94.2Very high54 Ų5459.8 Ų59.824%0.23729%0.288CS..EExtended strand (participates in β ladder)trans-135.1150.6-172.8-59.8-84.1000112.9E5 F6 R58 I59 Y251E5-F249 HydrophobicContact CG-CD1 4.17Å; F6-F249 CarbonylContact O-C 3.46Å; F6-F249 WeakPolarHBondContact O-CA 3.29Å; R58-F249 CarbonylContact C-O 3.03Å; R58-F249 VanDerWaalsContact CA-O 3.23Å; R58-F249 WeakPolarHBondContact CA-O 3.43Å; R58-F249 HydrophobicContact CB-CB 4.17Å; R58-F249 WeakPolarHBondContact CB-O 3.32Å; I59-F249 PolarHBondContact N-O 3.33Å; F249-Y251 HydrophobicContact CB-CD2 4.26Å; F249-Y251 HydrophobicContact CB-CE2 3.64Å; F249-Y251 HydrophobicContact CG-CE2 4.38Å
250L98.6Very high94.2Very high1 Ų153.5 Ų53.51%0.00526%0.259CS..EExtended strand (participates in β ladder)trans-106.3134.6161.8166.965.7000109.1E5 F6 F8 I59 E61 F210 L212E5-L250 WeakPolarHBondContact CA-O 3.4Å; F6-L250 HydrophobicContact CB-CB 4.23Å; F6-L250 HydrophobicContact CB-CD2 4.37Å; F6-L250 HydrophobicContact CD1-CB 4.31Å; F6-L250 HydrophobicContact CD1-CD2 4.4Å; F6-L250 PolarHBondContact N-O 2.85Å; F6-L250 PolarHBondContact O-N 3.36Å; F8-L250 HydrophobicContact CD2-CB 4.39Å; F8-L250 HydrophobicContact CE1-CB 4.47Å; F8-L250 HydrophobicContact CE2-CB 3.64Å; F8-L250 HydrophobicContact CZ-CB 3.69Å; F8-L250 HydrophobicContact CZ-CD2 4.42Å; F8-L250 HydrophobicContact CZ-CG 4.48Å; I59-L250 HydrophobicContact CB-CD1 4.47Å; I59-L250 HydrophobicContact CG2-CD1 3.99Å; I59-L250 CarbonylContact O-C 3.13Å; I59-L250 WeakPolarHBondContact O-CA 3.18Å; E61-L250 HydrophobicContact CB-CD1 4.24Å; F210-L250 HydrophobicContact CB-CD2 4.34Å; F210-L250 HydrophobicContact CD2-CD2 3.77Å; F210-L250 HydrophobicContact CE2-CD2 4.38Å; F210-L250 HydrophobicContact CG-CD2 4.15Å; L212-L250 HydrophobicContact CD1-CD2 3.93Å; L212-L250 HydrophobicContact CD2-CD1 4.17Å; L212-L250 HydrophobicContact CD2-CD2 4.09Å
251Y98.8Very high94.1Very high4 Ų454 Ų542%0.01628%0.275CS..EExtended strand (participates in β ladder)trans-116.4110.9168.9-68.7-88.8000110.1A4 E5 R58 I59 A60 E61 I87 K88 F249A4-Y251 CarbonylContact O-C 3.57Å; A4-Y251 WeakPolarHBondContact O-CA 3.42Å; E5-Y251 HydrophobicContact CB-CD1 4.39Å; E5-Y251 HydrophobicContact CB-CE1 4.14Å; E5-Y251 HydrophobicContact CG-CE1 3.97Å; E5-Y251 WeakPolarHBondContact OE2-CE1 3.5Å; E5-Y251 PolarHBondContact OE2-OH 3.45Å; R58-Y251 HydrophobicContact CB-CD2 4.11Å; R58-Y251 HydrophobicContact CB-CE2 3.94Å; R58-Y251 HydrophobicContact CG-CD2 4.34Å; R58-Y251 HydrophobicContact CG-CE2 4.24Å; R58-Y251 PolarHBondContact NH1-OH 2.82Å; I59-Y251 PolarHBondContact O-N 2.76Å; A60-Y251 WeakPolarHBondContact CA-O 3.27Å; E61-Y251 PolarHBondContact N-O 2.76Å; I87-Y251 HydrophobicContact CB-CD1 4.13Å; I87-Y251 HydrophobicContact CB-CD2 3.68Å; I87-Y251 HydrophobicContact CB-CE2 4.1Å; I87-Y251 HydrophobicContact CB-CG 3.7Å; I87-Y251 HydrophobicContact CG2-CD1 4.27Å; I87-Y251 HydrophobicContact CG2-CD2 4.04Å; I87-Y251 HydrophobicContact CG2-CG 3.68Å; I87-Y251 WeakPolarHBondContact O-CE2 3.4Å; I87-Y251 VanDerWaalsContact O-CZ 3.3Å; K88-Y251 HydrophobicContact CD-CE1 4.26Å; K88-Y251 HydrophobicContact CG-CE1 4.2Å; F249-Y251 HydrophobicContact CB-CD2 4.26Å; F249-Y251 HydrophobicContact CB-CE2 3.64Å; F249-Y251 HydrophobicContact CG-CE2 4.38Å
252R98.6Very high93.7Very high5 Ų554.1 Ų54.12%0.01928%0.275CS..EExtended strand (participates in β ladder)trans-92.9109.6176.1-171.466.3176.6108.8-16.5109.7C3 A4 E61 G63 F210 D211 Q255C3-R252 VanDerWaalsContact CA-O 3.32Å; C3-R252 WeakPolarHBondContact CA-O 3.35Å; A4-R252 HydrophobicContact CB-CB 4.46Å; A4-R252 PolarHBondContact N-O 3.02Å; A4-R252 PolarHBondContact O-N 3.21Å; E61-R252 VanDerWaalsContact CG-CD 3.41Å; E61-R252 PolarHBondContact O-NH1 2.94Å; G63-R252 VanDerWaalsContact O-CZ 3.29Å; G63-R252 PolarHBondContact O-NH1 2.92Å; G63-R252 PolarHBondContact O-NH2 2.88Å; F210-R252 HydrophobicContact CB-CB 4.34Å; F210-R252 HydrophobicContact CB-CG 4.1Å; F210-R252 HydrophobicContact CD1-CB 3.85Å; F210-R252 HydrophobicContact CD1-CG 4.13Å; F210-R252 HydrophobicContact CG-CB 4.34Å; F210-R252 WeakPolarHBondContact O-CD 3.5Å; F210-R252 PolarHBondContact O-NE 3.03Å; D211-R252 PolarHBondContact O-NH2 2.76Å; R252-Q255 HydrophobicContact CG-CB 4.01Å; R252-Q255 HydrophobicContact CG-CG 4.38Å
253I98.7Very high93.1Very high0 Ų053.7 Ų53.70%027%0.271CS..EExtended strand (participates in β ladder)trans-109.3129.1-175.5-62.2176.2000110.3M1 A2 C3 E61 V62 G63 I83 E86 I87 Q255M1-I253 HydrophobicContact CB-CG2 4.12Å; M1-I253 HydrophobicContact CE-CG2 4.19Å; M1-I253 HydrophobicContact SD-CG2 4.36Å; A2-I253 WeakPolarHBondContact O-CA 3.49Å; C3-I253 HydrophobicContact CB-CG1 4.29Å; E61-I253 PolarHBondContact O-N 3.18Å; V62-I253 WeakPolarHBondContact CA-O 3.38Å; V62-I253 HydrophobicContact CG1-CB 4.33Å; V62-I253 HydrophobicContact CG1-CG2 4.16Å; V62-I253 HydrophobicContact CG2-CB 4.29Å; V62-I253 HydrophobicContact CG2-CD1 4.38Å; G63-I253 PolarHBondContact N-O 3.4Å; I83-I253 HydrophobicContact CG2-CD1 4.1Å; E86-I253 HydrophobicContact CB-CD1 4.31Å; E86-I253 HydrophobicContact CG-CD1 4.05Å; I87-I253 HydrophobicContact CG2-CD1 3.74Å; I253-Q255 VanDerWaalsContact C-N 3.26Å; I253-Q255 PolarHBondContact O-N 3.09Å
254D98.1Very high92.5Very high30 Ų3054.1 Ų54.116%0.1627%0.272CS..SBendtrans55.235.5171.5-16842.3000114.5M1 A2 Y67 K76 Y78M1-D254 HydrophobicContact CB-CB 4.11Å; M1-D254 HydrophobicContact CG-CB 4.43Å; M1-D254 HydrophobicContact SD-CB 4.26Å; A2-D254 PolarHBondContact O-N 3.36Å; Y67-D254 VanDerWaalsContact CE2-O 3.23Å; Y67-D254 WeakPolarHBondContact CE2-O 3.42Å; Y67-D254 VanDerWaalsContact CZ-O 3.31Å; Y67-D254 PolarHBondContact OH-O 2.69Å; K76-D254 WeakPolarHBondContact CD-OD2 3.37Å; K76-D254 IonicContact NZ-OD1 2.68Å; K76-D254 PolarHBondContact NZ-OD1 2.92Å; K76-D254 IonicContact NZ-OD2 2.69Å; K76-D254 PolarHBondContact NZ-OD2 2.59Å; Y78-D254 HydrophobicContact CE1-CB 4.15Å; Y78-D254 WeakPolarHBondContact CE1-OD2 3.46Å; Y78-D254 PolarHBondContact OH-OD2 2.95Å
255Q98Very high91.5Very high74 Ų7453.9 Ų53.935%0.34627%0.273SS..  trans-46.2133.1178.9-173.9179.2-6.900112.7Y67 F210 D211 R252 I253 K257Y67-Q255 PolarHBondContact OH-O 2.97Å; F210-Q255 PolarHBondContact O-NE2 2.79Å; F210-Q255 VanDerWaalsContact O-NE2 3.12Å; D211-Q255 HydrophobicContact CB-CG 4.36Å; R252-Q255 HydrophobicContact CG-CB 4.01Å; R252-Q255 HydrophobicContact CG-CG 4.38Å; I253-Q255 VanDerWaalsContact C-N 3.26Å; I253-Q255 PolarHBondContact O-N 3.09Å; Q255-K257 PolarHBondContact O-N 3.04Å
256P96.3Very high91.4Very high7 Ų755 Ų555%0.04528%0.279CS..  trans-56.2132174.3-24.834000112.4G63 P66 Y67 E258G63-P256 WeakPolarHBondContact O-CD 3.33Å; P66-P256 HydrophobicContact CB-CB 3.92Å; P66-P256 HydrophobicContact CB-CG 4.08Å; P66-P256 HydrophobicContact CG-CB 4.18Å; P66-P256 HydrophobicContact CG-CG 4.09Å; Y67-P256 HydrophobicContact CD1-CB 4.39Å; Y67-P256 HydrophobicContact CD1-CG 4.23Å; Y67-P256 HydrophobicContact CE1-CB 3.81Å; Y67-P256 HydrophobicContact CE1-CG 3.87Å; Y67-P256 HydrophobicContact CE2-CG 4.19Å; Y67-P256 WeakPolarHBondContact OH-CA 3.43Å; P256-E258 VanDerWaalsContact C-N 3.35Å; P256-E258 WeakPolarHBondContact CB-O 3.19Å
257K95.3Very high91.4Very high207 Ų20756.5 Ų56.590%0.928%0.284SS*.SBendtrans-78.7-24.4172.8-68.1-173.5175.5-174.60112.8Q255Q255-K257 PolarHBondContact O-N 3.04Å
258E93Very high91.2Very high170 Ų17059.2 Ų59.279%0.79430%0.296SS*.SBendtrans-118128.5173.8-69.3162.3-130.500105.3P66 P256P66-E258 WeakPolarHBondContact CB-O 3.34Å; P256-E258 VanDerWaalsContact C-N 3.35Å; P256-E258 WeakPolarHBondContact CB-O 3.19Å
259T92.9Very high90.9Very high75 Ų7558.5 Ų58.546%0.4629%0.294SS..  trans-147160.7-170.9-170.10000112.3P66 D211 R264P66-T259 WeakPolarHBondContact CG-OG1 3.27Å; D211-T259 PolarHBondContact OD1-OG1 3.44Å; D211-T259 VanDerWaalsContact OD2-CB 3.26Å; D211-T259 WeakPolarHBondContact OD2-CB 3.41Å; D211-T259 PolarHBondContact OD2-OG1 3.3Å; T259-R264 PolarHBondContact OG1-NH2 3.2Å; T259-R264 VanDerWaalsContact OG1-NH2 3.07Å
260H88.1Confident90.5Very high44 Ų4458.8 Ų58.820%0.20430%0.298CS..  trans-151.4160.4179.95665.5000110.8L69 I262 R264L69-H260 PolarHBondContact O-NE2 2.81Å; H260-I262 PolarHBondContact CE1-O 3.08Å; H260-I262 PolarHBondContact ND1-N 3.4Å; H260-I262 PolarHBondContact ND1-O 2.93Å; H260-R264 PolarHBondContact O-NE 2.62Å; H260-R264 VanDerWaalsContact O-NE 3.15Å; H260-R264 PolarHBondContact O-NH2 2.79Å
261S85.2Confident89.9Confident99 Ų9962.6 Ų62.669%0.69232%0.318SS*.SBendtrans-78.7-17.9174.749.40000114.3R264S261-R264 WeakPolarHBondContact O-CG 3.47Å
262I79.1Confident89.3Confident109 Ų10966.8 Ų66.856%0.55934%0.339SS*.THydrogen-bonded Turntrans-60.9135.1-176.7-52.7171.2000111L69 V184 H260L69-I262 HydrophobicContact CD1-CG2 4.43Å; V184-I262 HydrophobicContact CG2-CG2 4.45Å; H260-I262 PolarHBondContact CE1-O 3.08Å; H260-I262 PolarHBondContact ND1-N 3.4Å; H260-I262 PolarHBondContact ND1-O 2.93Å
263G77.2Confident88.6Confident9 Ų971.5 Ų71.59%0.09336%0.364CS..THydrogen-bonded Turntrans83.932.2170.900000115V65 R213V65-G263 WeakPolarHBondContact CG1-O 3.19Å; V65-G263 VanDerWaalsContact CG2-O 3.29Å; V65-G263 WeakPolarHBondContact CG2-O 3.12Å; R213-G263 PolarHBondContact NH1-O 2.83Å
264R80.8Confident87.8Confident59 Ų5977.5 Ų77.522%0.22339%0.394CS..  trans-108.922.6-175.4-66.7-169.5-170.9-143.84.9113.3V65 D211 L212 R213 T259 H260 S261V65-R264 HydrophobicContact CG2-CG 4.33Å; D211-R264 IonicContact OD1-CZ 3.81Å; D211-R264 IonicContact OD1-NH1 2.76Å; D211-R264 PolarHBondContact OD1-NH1 2.87Å; D211-R264 IonicContact OD1-NH2 3.53Å; D211-R264 PolarHBondContact OD1-NH2 3.03Å; D211-R264 IonicContact OD2-NH2 3.17Å; L212-R264 PolarHBondContact O-NH1 2.61Å; R213-R264 PolarHBondContact NE-O 3.08Å; R213-R264 PolarHBondContact NH2-O 3.27Å; T259-R264 PolarHBondContact OG1-NH2 3.2Å; T259-R264 VanDerWaalsContact OG1-NH2 3.07Å; H260-R264 PolarHBondContact O-NE 2.62Å; H260-R264 VanDerWaalsContact O-NE 3.15Å; H260-R264 PolarHBondContact O-NH2 2.79Å; S261-R264 WeakPolarHBondContact O-CG 3.47Å
265D69.3Low86.8Confident47 Ų4781.8 Ų81.825%0.25142%0.415SS..  trans-120.90-170.3-7.4-34.9000109.9D181 V184 R213 H228 H230D181-D265 HydrophobicContact CB-CB 4.27Å; D181-D265 WeakPolarHBondContact CB-OD2 3.16Å; V184-D265 VanDerWaalsContact CB-OD2 3.29Å; V184-D265 WeakPolarHBondContact CB-OD2 3.27Å; V184-D265 WeakPolarHBondContact CG2-OD2 3.34Å; R213-D265 VanDerWaalsContact CZ-O 3.24Å; R213-D265 PolarHBondContact NH1-O 3.15Å; R213-D265 PolarHBondContact NH2-O 2.92Å; H228-D265 PolarHBondContact NE2-O 2.87Å; H230-D265 PolarHBondContact CE1-OXT 3.38Å; H230-D265 VanDerWaalsContact CE1-OXT 3.25Å; H230-D265 PolarHBondContact ND1-OXT 3.29Å

Retrieved 265 of 265 residues in 935.5 ms (Link to these results)

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