A0A087YEB0_POEFO Loading...

Signal peptidase complex catalytic subunit SEC11

Catalytic component of the signal peptidase complex (SPC) which catalyzes the cleavage of N-terminal signal sequences from nascent proteins as they are translocated into the lumen of the endoplasmic reticulum. Specifically cleaves N-terminal signal peptides that contain a hydrophobic alpha-helix (h-region) shorter than 18-20 amino acids.

AlphaFold DB (M4ARS6), UniProt , Accession A0A087YEB0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 179 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
1M44.4Very low58.4Low212 Ų212116.5 Ų116.5100%1.04459%0.589SS**  0-38.20-120165.9167.600112.5S3M1-S3 VanDerWaalsContact C-N 3.33Å; M1-S3 PolarHBondContact O-N 3.39Å
2L52.3Low59.6Low138 Ų138123.2 Ų123.272%0.72360%0.601SS**Hα-helixtrans-63.3-16.1179-80.2149000118.1
3S51.9Low60.4Low86 Ų86116.2 Ų116.260%0.60157%0.567SS**Hα-helixtrans-82.6-18.3-176.961.40000114.2M1M1-S3 VanDerWaalsContact C-N 3.33Å; M1-S3 PolarHBondContact O-N 3.39Å
4L59.3Low61.8Low109 Ų109116 Ų11657%0.57157%0.57SS**Hα-helixtrans-89.9-38.4-175.7-68.8169.7000111.8F6 L7 D8L4-F6 VanDerWaalsContact C-N 3.26Å; L4-F6 PolarHBondContact O-N 2.83Å; L4-L7 PolarHBondContact O-N 3.48Å; L4-L7 VanDerWaalsContact O-N 3.16Å; L4-D8 PolarHBondContact O-N 3.32Å; L4-D8 VanDerWaalsContact O-N 3.13Å
5D60.1Low63.3Low104 Ų104119.7 Ų119.756%0.55658%0.582SS**Hα-helixtrans-61.3-33.8177.8-66.7-29.4000112.7D8 D9D5-D8 PolarHBondContact O-N 2.89Å; D5-D9 WeakPolarHBondContact O-CB 3.45Å; D5-D9 PolarHBondContact O-N 2.81Å
6F58.3Low64.5Low100 Ų100123.1 Ų123.144%0.43959%0.587SS.*Hα-helixtrans-64.1-44.9175.1167.2-100.9000113L4 D8 D9 V10L4-F6 VanDerWaalsContact C-N 3.26Å; L4-F6 PolarHBondContact O-N 2.83Å; F6-D8 VanDerWaalsContact C-N 3.25Å; F6-D8 PolarHBondContact O-N 3.18Å; F6-D9 PolarHBondContact O-N 3.42Å; F6-V10 HydrophobicContact CD2-CG2 4.03Å; F6-V10 HydrophobicContact CE1-CG2 4.17Å; F6-V10 HydrophobicContact CE2-CG2 3.56Å; F6-V10 HydrophobicContact CZ-CG2 3.65Å; F6-V10 WeakPolarHBondContact O-CB 3.2Å; F6-V10 VanDerWaalsContact O-CG2 3.32Å; F6-V10 WeakPolarHBondContact O-CG2 3.47Å; F6-V10 PolarHBondContact O-N 3.2Å
7L61.9Low65.2Low103 Ų103121.9 Ų121.954%0.53958%0.58SS.*Hα-helixtrans-66.2-36179.8-69.8174.8000110.1L4 R11L4-L7 PolarHBondContact O-N 3.48Å; L4-L7 VanDerWaalsContact O-N 3.16Å; L7-R11 WeakPolarHBondContact O-CB 3.42Å; L7-R11 PolarHBondContact O-N 3.39Å
8D64.9Low66.1Low70 Ų70119.6 Ų119.637%0.37457%0.571SS.*Hα-helixtrans-71-38.3176.1-76.2-23.5000112.5L4 D5 F6 R11 R12L4-D8 PolarHBondContact O-N 3.32Å; L4-D8 VanDerWaalsContact O-N 3.13Å; D5-D8 PolarHBondContact O-N 2.89Å; F6-D8 VanDerWaalsContact C-N 3.25Å; F6-D8 PolarHBondContact O-N 3.18Å; D8-R11 PolarHBondContact O-N 2.9Å; D8-R12 WeakPolarHBondContact O-CB 3.4Å; D8-R12 WeakPolarHBondContact O-CD 3.35Å; D8-R12 WeakPolarHBondContact O-CG 3.43Å; D8-R12 PolarHBondContact O-N 3.27Å
9D64.2Low67.2Low91 Ų91121.7 Ų121.749%0.48757%0.574SS.*Hα-helixtrans-66.3-47.3174.3-90.9-12000112.2D5 F6 R11 R12 M13D5-D9 WeakPolarHBondContact O-CB 3.45Å; D5-D9 PolarHBondContact O-N 2.81Å; F6-D9 PolarHBondContact O-N 3.42Å; D9-R11 PolarHBondContact O-N 3.21Å; D9-R12 PolarHBondContact O-N 3Å; D9-R12 VanDerWaalsContact O-N 3.1Å; D9-M13 WeakPolarHBondContact O-CG 3.4Å; D9-M13 PolarHBondContact O-N 3.36Å
10V61.9Low68.2Low55 Ų55121.3 Ų121.333%0.33357%0.568SS.*Hα-helixtrans-60.5-35.9175.7172.10000111F6 R12 M13F6-V10 HydrophobicContact CD2-CG2 4.03Å; F6-V10 HydrophobicContact CE1-CG2 4.17Å; F6-V10 HydrophobicContact CE2-CG2 3.56Å; F6-V10 HydrophobicContact CZ-CG2 3.65Å; F6-V10 WeakPolarHBondContact O-CB 3.2Å; F6-V10 VanDerWaalsContact O-CG2 3.32Å; F6-V10 WeakPolarHBondContact O-CG2 3.47Å; F6-V10 PolarHBondContact O-N 3.2Å; V10-R12 VanDerWaalsContact C-N 3.35Å; V10-M13 WeakPolarHBondContact O-CB 2.92Å; V10-M13 PolarHBondContact O-N 2.99Å
11R63.4Low68.7Low214 Ų214119.2 Ų119.281%0.80856%0.558SS**Hα-helixtrans-75.2-23.6178.6-164.8175.2-168.4-176.33113.1L7 D8 D9L7-R11 WeakPolarHBondContact O-CB 3.42Å; L7-R11 PolarHBondContact O-N 3.39Å; D8-R11 PolarHBondContact O-N 2.9Å; D9-R11 PolarHBondContact O-N 3.21Å
12R72.1Confident70.7Confident196 Ų196113.5 Ų113.574%0.7454%0.535SS*.Hα-helixtrans-84.4-10.1173.8-74.2170.4-176-163.73.3113.5D8 D9 V10 N14D8-R12 WeakPolarHBondContact O-CB 3.4Å; D8-R12 WeakPolarHBondContact O-CD 3.35Å; D8-R12 WeakPolarHBondContact O-CG 3.43Å; D8-R12 PolarHBondContact O-N 3.27Å; D9-R12 PolarHBondContact O-N 3Å; D9-R12 VanDerWaalsContact O-N 3.1Å; V10-R12 VanDerWaalsContact C-N 3.35Å; R12-N14 PolarHBondContact O-N 2.65Å
13M70.2Confident72.4Confident33 Ų33112.2 Ų112.216%0.16353%0.528CS..SBendtrans-69.3132179.6-71.6177.171.200112.2D9 V10 Q17 L18 Q21D9-M13 WeakPolarHBondContact O-CG 3.4Å; D9-M13 PolarHBondContact O-N 3.36Å; V10-M13 WeakPolarHBondContact O-CB 2.92Å; V10-M13 PolarHBondContact O-N 2.99Å; M13-Q17 HydrophobicContact CE-CB 4.04Å; M13-L18 HydrophobicContact CE-CB 4.17Å; M13-L18 HydrophobicContact CE-CD1 4.24Å; M13-L18 HydrophobicContact SD-CD1 4.44Å; M13-Q21 HydrophobicContact CE-CB 4.45Å; M13-Q21 HydrophobicContact CE-CG 3.93Å
14N80.5Confident74.1Confident113 Ų113112.2 Ų112.260%0.60452%0.521SS*.  trans-64.8143.2167.2-81.1-36.7000109.8R12 R16 Q17 L18R12-N14 PolarHBondContact O-N 2.65Å; N14-R16 PolarHBondContact O-N 2.82Å; N14-Q17 HydrophobicContact CB-CG 4.43Å; N14-Q17 VanDerWaalsContact N-OE1 3.14Å; N14-Q17 WeakPolarHBondContact O-CA 3.46Å; N14-Q17 WeakPolarHBondContact O-CB 3.37Å; N14-Q17 PolarHBondContact O-N 3.4Å; N14-L18 PolarHBondContact O-N 2.77Å; N14-L18 VanDerWaalsContact O-N 3.09Å
15K83.2Confident75.3Confident172 Ų172113.7 Ų113.775%0.74852%0.523SS*.Hα-helixtrans-47.7-40.3179.5-66.2-177.2-180179.60112.3L18 Y19K15-L18 PolarHBondContact O-N 3Å; K15-Y19 HydrophobicContact CB-CE2 4.24Å; K15-Y19 WeakPolarHBondContact O-CD2 3.49Å; K15-Y19 PolarHBondContact O-N 3.18Å
16R82.8Confident76.8Confident174 Ų174110.5 Ų110.566%0.65752%0.515SS*.Hα-helixtrans-61.1-43.4176.1-175.9177.9176.3-139.3-7.5113.4N14 L18 Y19 Y20N14-R16 PolarHBondContact O-N 2.82Å; R16-L18 VanDerWaalsContact C-N 3.35Å; R16-Y19 PolarHBondContact O-N 2.95Å; R16-Y20 HydrophobicContact CG-CD2 3.97Å; R16-Y20 HydrophobicContact CG-CE2 3.5Å; R16-Y20 VanDerWaalsContact NE-CE2 3.34Å; R16-Y20 PolarHBondContact NE-OH 3.25Å; R16-Y20 PolarHBondContact NH2-OH 3.25Å; R16-Y20 WeakPolarHBondContact O-CD2 3.22Å; R16-Y20 PolarHBondContact O-N 2.7Å; R16-Y20 VanDerWaalsContact O-N 3.1Å
17Q77.6Confident78.4Confident102 Ų102110.8 Ų110.848%0.47752%0.519SS..Hα-helixtrans-67.1-38.9177.6-71169.1-38.300111.1M13 N14 Y20 Q21M13-Q17 HydrophobicContact CE-CB 4.04Å; N14-Q17 HydrophobicContact CB-CG 4.43Å; N14-Q17 VanDerWaalsContact N-OE1 3.14Å; N14-Q17 WeakPolarHBondContact O-CA 3.46Å; N14-Q17 WeakPolarHBondContact O-CB 3.37Å; N14-Q17 PolarHBondContact O-N 3.4Å; Q17-Y20 PolarHBondContact O-N 2.86Å; Q17-Q21 PolarHBondContact O-N 2.74Å
18L81.1Confident79.8Confident80 Ų80111.5 Ų111.542%0.41952%0.522SS..Hα-helixtrans-61.4-45.2174.6-175.465.2000111.2M13 N14 K15 R16 Y20 Q21 V22M13-L18 HydrophobicContact CE-CB 4.17Å; M13-L18 HydrophobicContact CE-CD1 4.24Å; M13-L18 HydrophobicContact SD-CD1 4.44Å; N14-L18 PolarHBondContact O-N 2.77Å; N14-L18 VanDerWaalsContact O-N 3.09Å; K15-L18 PolarHBondContact O-N 3Å; R16-L18 VanDerWaalsContact C-N 3.35Å; L18-Y20 PolarHBondContact O-N 2.84Å; L18-Q21 PolarHBondContact O-N 2.9Å; L18-V22 WeakPolarHBondContact O-CG2 3.45Å; L18-V22 PolarHBondContact O-N 2.94Å
19Y87.3Confident81.1Confident160 Ų160111.2 Ų111.263%0.62752%0.523SS*.Hα-helixtrans-59-45.4175.2-74.2-62.2000112.7K15 R16 Q21 V22 L23K15-Y19 HydrophobicContact CB-CE2 4.24Å; K15-Y19 WeakPolarHBondContact O-CD2 3.49Å; K15-Y19 PolarHBondContact O-N 3.18Å; R16-Y19 PolarHBondContact O-N 2.95Å; Y19-Q21 PolarHBondContact O-N 2.86Å; Y19-V22 PolarHBondContact O-N 2.83Å; Y19-L23 WeakPolarHBondContact O-CB 3.25Å; Y19-L23 VanDerWaalsContact O-CG 3.31Å; Y19-L23 WeakPolarHBondContact O-CG 3.44Å; Y19-L23 PolarHBondContact O-N 2.57Å
20Y86.1Confident82.6Confident114 Ų114109.6 Ų109.645%0.44752%0.518SS..Hα-helixtrans-63-40.6177.7-74.3-58.5000112.8R16 Q17 L18 L23 N24R16-Y20 HydrophobicContact CG-CD2 3.97Å; R16-Y20 HydrophobicContact CG-CE2 3.5Å; R16-Y20 VanDerWaalsContact NE-CE2 3.34Å; R16-Y20 PolarHBondContact NE-OH 3.25Å; R16-Y20 PolarHBondContact NH2-OH 3.25Å; R16-Y20 WeakPolarHBondContact O-CD2 3.22Å; R16-Y20 PolarHBondContact O-N 2.7Å; R16-Y20 VanDerWaalsContact O-N 3.1Å; Q17-Y20 PolarHBondContact O-N 2.86Å; L18-Y20 PolarHBondContact O-N 2.84Å; Y20-L23 PolarHBondContact O-N 2.85Å; Y20-N24 WeakPolarHBondContact O-CB 3.17Å; Y20-N24 PolarHBondContact O-N 2.82Å
21Q79.7Confident84.2Confident78 Ų78110 Ų11036%0.36452%0.524SS..Hα-helixtrans-63.6-42.8176.6-74.2-170.91.900111.8M13 Q17 L18 Y19 N24 F25M13-Q21 HydrophobicContact CE-CB 4.45Å; M13-Q21 HydrophobicContact CE-CG 3.93Å; Q17-Q21 PolarHBondContact O-N 2.74Å; L18-Q21 PolarHBondContact O-N 2.9Å; Y19-Q21 PolarHBondContact O-N 2.86Å; Q21-N24 PolarHBondContact O-N 3.41Å; Q21-F25 WeakPolarHBondContact O-CB 3.33Å; Q21-F25 PolarHBondContact O-N 2.88Å
22V85.1Confident85.6Confident92 Ų92102.5 Ų102.556%0.55851%0.508SS*.Hα-helixtrans-63-43.9176.11720000111.1L18 Y19 F25 G26L18-V22 WeakPolarHBondContact O-CG2 3.45Å; L18-V22 PolarHBondContact O-N 2.94Å; Y19-V22 PolarHBondContact O-N 2.83Å; V22-F25 PolarHBondContact O-N 3.4Å; V22-G26 PolarHBondContact O-N 2.9Å
23L89.7Confident86.7Confident110 Ų11098.4 Ų98.458%0.57650%0.5SS*.Hα-helixtrans-64.6-45.3177.6-72.8172.2000112Y19 Y20 F25 G26 M27Y19-L23 WeakPolarHBondContact O-CB 3.25Å; Y19-L23 VanDerWaalsContact O-CG 3.31Å; Y19-L23 WeakPolarHBondContact O-CG 3.44Å; Y19-L23 PolarHBondContact O-N 2.57Å; Y20-L23 PolarHBondContact O-N 2.85Å; L23-F25 PolarHBondContact O-N 3.09Å; L23-G26 PolarHBondContact O-N 2.73Å; L23-M27 WeakPolarHBondContact O-CG 3.06Å; L23-M27 PolarHBondContact O-N 3.02Å
24N86.2Confident87.9Confident86 Ų86103 Ų10346%0.4652%0.522SS..Hα-helixtrans-60.9-45.5176.9-77.8-13.7000111.7Y20 Q21 G26 M27 I28Y20-N24 WeakPolarHBondContact O-CB 3.17Å; Y20-N24 PolarHBondContact O-N 2.82Å; Q21-N24 PolarHBondContact O-N 3.41Å; N24-G26 VanDerWaalsContact C-N 3.33Å; N24-G26 PolarHBondContact O-N 3.21Å; N24-M27 HydrophobicContact CB-CE 4.44Å; N24-M27 PolarHBondContact O-N 3.44Å; N24-M27 WeakPolarHBondContact OD1-CE 3.42Å; N24-I28 WeakPolarHBondContact O-CG1 3.49Å; N24-I28 PolarHBondContact O-N 3.06Å
25F84.6Confident88.7Confident140 Ų140103 Ų10361%0.61452%0.521SS*.Hα-helixtrans-60.3-45.1174.7-179.2-100.9000111.5Q21 V22 L23 M27 I28 V29Q21-F25 WeakPolarHBondContact O-CB 3.33Å; Q21-F25 PolarHBondContact O-N 2.88Å; V22-F25 PolarHBondContact O-N 3.4Å; L23-F25 PolarHBondContact O-N 3.09Å; F25-M27 VanDerWaalsContact C-N 3.32Å; F25-M27 PolarHBondContact O-N 2.85Å; F25-I28 PolarHBondContact O-N 2.91Å; F25-V29 HydrophobicContact CD1-CG2 4.27Å; F25-V29 HydrophobicContact CE1-CG2 3.81Å; F25-V29 HydrophobicContact CE2-CG2 4.16Å; F25-V29 HydrophobicContact CZ-CG2 3.75Å; F25-V29 WeakPolarHBondContact O-CG2 3.45Å; F25-V29 PolarHBondContact O-N 2.83Å
26G91.6Very high89.2Confident37 Ų3799.8 Ų99.838%0.38151%0.505SS..Hα-helixtrans-57.5-41.8174.600000113V22 L23 N24 S30V22-G26 PolarHBondContact O-N 2.9Å; L23-G26 PolarHBondContact O-N 2.73Å; N24-G26 VanDerWaalsContact C-N 3.33Å; N24-G26 PolarHBondContact O-N 3.21Å; G26-S30 WeakPolarHBondContact O-CB 3.16Å; G26-S30 PolarHBondContact O-N 3.18Å
27M92.8Very high89.8Confident107 Ų10797.5 Ų97.553%0.52750%0.5SS..Hα-helixtrans-65.2-41.5176.7-74.2-171.1-65.500112.7L23 N24 F25 S30 S31L23-M27 WeakPolarHBondContact O-CG 3.06Å; L23-M27 PolarHBondContact O-N 3.02Å; N24-M27 HydrophobicContact CB-CE 4.44Å; N24-M27 PolarHBondContact O-N 3.44Å; N24-M27 WeakPolarHBondContact OD1-CE 3.42Å; F25-M27 VanDerWaalsContact C-N 3.32Å; F25-M27 PolarHBondContact O-N 2.85Å; M27-S30 PolarHBondContact O-N 3.36Å; M27-S31 VanDerWaalsContact O-CB 3.28Å; M27-S31 WeakPolarHBondContact O-CB 3.44Å; M27-S31 PolarHBondContact O-N 3.21Å; M27-S31 PolarHBondContact O-OG 2.69Å
28I91.1Very high90.7Very high118 Ų11894.2 Ų94.261%0.60549%0.493SS*.Hα-helixtrans-62.5-49.9176.7-67.7166.1000110.2N24 F25 S30 S31 A32N24-I28 WeakPolarHBondContact O-CG1 3.49Å; N24-I28 PolarHBondContact O-N 3.06Å; F25-I28 PolarHBondContact O-N 2.91Å; I28-S30 PolarHBondContact O-N 2.92Å; I28-S31 PolarHBondContact O-N 2.83Å; I28-A32 PolarHBondContact O-N 3.47Å
29V92Very high91.3Very high63 Ų6393.6 Ų93.638%0.38249%0.489SS..Hα-helixtrans-62-45178.8174.30000110.8F25 S31 A32 L33F25-V29 HydrophobicContact CD1-CG2 4.27Å; F25-V29 HydrophobicContact CE1-CG2 3.81Å; F25-V29 HydrophobicContact CE2-CG2 4.16Å; F25-V29 HydrophobicContact CZ-CG2 3.75Å; F25-V29 WeakPolarHBondContact O-CG2 3.45Å; F25-V29 PolarHBondContact O-N 2.83Å; V29-S31 PolarHBondContact O-N 3.03Å; V29-A32 PolarHBondContact O-N 3.27Å; V29-L33 HydrophobicContact CG1-CD1 4.07Å; V29-L33 HydrophobicContact CG1-CG 4.49Å; V29-L33 WeakPolarHBondContact O-CG 3.35Å; V29-L33 PolarHBondContact O-N 3.44Å
30S95.3Very high91.7Very high57 Ų5787.8 Ų87.840%0.39947%0.468SS..Hα-helixtrans-60.1-45.1177.7-1780000111.6G26 M27 I28 A32 L33 M34G26-S30 WeakPolarHBondContact O-CB 3.16Å; G26-S30 PolarHBondContact O-N 3.18Å; M27-S30 PolarHBondContact O-N 3.36Å; I28-S30 PolarHBondContact O-N 2.92Å; S30-A32 PolarHBondContact O-N 2.6Å; S30-L33 PolarHBondContact O-N 2.78Å; S30-M34 WeakPolarHBondContact O-CB 3.09Å; S30-M34 VanDerWaalsContact O-CG 3.27Å; S30-M34 WeakPolarHBondContact O-CG 3.36Å; S30-M34 PolarHBondContact O-N 3.06Å
31S95.3Very high92.1Very high63 Ų6388.1 Ų88.144%0.44148%0.482SS..Hα-helixtrans-62.9-42.8178.8-63.50000111.9M27 I28 V29 L33 M34 I35M27-S31 VanDerWaalsContact O-CB 3.28Å; M27-S31 WeakPolarHBondContact O-CB 3.44Å; M27-S31 PolarHBondContact O-N 3.21Å; M27-S31 PolarHBondContact O-OG 2.69Å; I28-S31 PolarHBondContact O-N 2.83Å; V29-S31 PolarHBondContact O-N 3.03Å; S31-L33 PolarHBondContact O-N 2.84Å; S31-M34 PolarHBondContact O-N 2.98Å; S31-I35 VanDerWaalsContact O-CG1 3.31Å; S31-I35 WeakPolarHBondContact O-CG1 3.14Å; S31-I35 PolarHBondContact O-N 3.02Å
32A93.1Very high92.7Very high58 Ų5888.9 Ų88.948%0.47949%0.492SS..Hα-helixtrans-61.2-43.9174.900000112.1I28 V29 S30 I35 W36I28-A32 PolarHBondContact O-N 3.47Å; V29-A32 PolarHBondContact O-N 3.27Å; S30-A32 PolarHBondContact O-N 2.6Å; A32-I35 PolarHBondContact O-N 3.16Å; A32-W36 PolarHBondContact O-N 2.93Å
33L94.9Very high93.1Very high109 Ų10985.4 Ų85.457%0.57147%0.471SS*.Hα-helixtrans-65.6-38176.1-68.7174.4000112.3V29 S30 S31 W36 K37V29-L33 HydrophobicContact CG1-CD1 4.07Å; V29-L33 HydrophobicContact CG1-CG 4.49Å; V29-L33 WeakPolarHBondContact O-CG 3.35Å; V29-L33 PolarHBondContact O-N 3.44Å; S30-L33 PolarHBondContact O-N 2.78Å; S31-L33 PolarHBondContact O-N 2.84Å; L33-W36 PolarHBondContact O-N 2.92Å; L33-K37 WeakPolarHBondContact O-CB 3.39Å; L33-K37 WeakPolarHBondContact O-CG 3.42Å; L33-K37 PolarHBondContact O-N 3.01Å
34M96.8Very high93.3Very high129 Ų12982 Ų8264%0.63546%0.462SS*.Hα-helixtrans-64.3-43.2175.6-75.6176.567.500111.6S30 S31 W36 K37 G38S30-M34 WeakPolarHBondContact O-CB 3.09Å; S30-M34 VanDerWaalsContact O-CG 3.27Å; S30-M34 WeakPolarHBondContact O-CG 3.36Å; S30-M34 PolarHBondContact O-N 3.06Å; S31-M34 PolarHBondContact O-N 2.98Å; M34-W36 VanDerWaalsContact C-N 3.35Å; M34-K37 PolarHBondContact O-N 3.23Å; M34-G38 PolarHBondContact O-N 3.07Å
35I96Very high93.5Very high113 Ų11378 Ų7858%0.57944%0.441SS*.Hα-helixtrans-60.1-47.3174.9-69.1164.1000110S31 A32 K37 G38 L39S31-I35 VanDerWaalsContact O-CG1 3.31Å; S31-I35 WeakPolarHBondContact O-CG1 3.14Å; S31-I35 PolarHBondContact O-N 3.02Å; A32-I35 PolarHBondContact O-N 3.16Å; I35-K37 PolarHBondContact O-N 2.92Å; I35-G38 PolarHBondContact O-N 2.77Å; I35-L39 HydrophobicContact CG2-CD1 4.33Å; I35-L39 WeakPolarHBondContact O-CG 3.25Å; I35-L39 PolarHBondContact O-N 3.03Å
36W94.4Very high93.8Very high105 Ų10578.2 Ų78.240%0.39844%0.444SS..Hα-helixtrans-60.6-47.4178.7-175-98000112.4A32 L33 M34 L39 M40 P48 I49A32-W36 PolarHBondContact O-N 2.93Å; L33-W36 PolarHBondContact O-N 2.92Å; M34-W36 VanDerWaalsContact C-N 3.35Å; W36-L39 WeakPolarHBondContact O-CB 3.04Å; W36-L39 PolarHBondContact O-N 2.92Å; W36-M40 WeakPolarHBondContact O-CG 3.45Å; W36-M40 PolarHBondContact O-N 2.88Å; W36-P48 HydrophobicContact CH2-CG 4.33Å; W36-P48 HydrophobicContact CZ2-CG 4.39Å; W36-I49 HydrophobicContact CZ3-CD1 4.39Å
37K95Very high93.8Very high127 Ų12778.2 Ų78.255%0.55244%0.438SS*.Hα-helixtrans-65.8-37.8177-73.1-68.5177-169.70112.4L33 M34 I35 L39 M40 V41L33-K37 WeakPolarHBondContact O-CB 3.39Å; L33-K37 WeakPolarHBondContact O-CG 3.42Å; L33-K37 PolarHBondContact O-N 3.01Å; M34-K37 PolarHBondContact O-N 3.23Å; I35-K37 PolarHBondContact O-N 2.92Å; K37-L39 VanDerWaalsContact C-N 3.34Å; K37-L39 PolarHBondContact O-N 2.79Å; K37-M40 HydrophobicContact CD-SD 3.8Å; K37-M40 WeakPolarHBondContact O-CB 3.06Å; K37-M40 PolarHBondContact O-N 2.8Å; K37-V41 WeakPolarHBondContact O-CG2 3.5Å; K37-V41 PolarHBondContact O-N 2.87Å
38G95.9Very high93.8Very high32 Ų3273.2 Ų73.233%0.3341%0.414SS..Hα-helixtrans-58.1-46.1172.500000111.6M34 I35 M40 V41 V42M34-G38 PolarHBondContact O-N 3.07Å; I35-G38 PolarHBondContact O-N 2.77Å; G38-M40 PolarHBondContact O-N 3.13Å; G38-V41 PolarHBondContact O-N 3.07Å; G38-V42 WeakPolarHBondContact O-CB 3.45Å; G38-V42 VanDerWaalsContact O-CG2 3.29Å; G38-V42 WeakPolarHBondContact O-CG2 3.21Å; G38-V42 PolarHBondContact O-N 3.39Å
39L94.8Very high94Very high67 Ų6770 Ų7035%0.35140%0.397SS..Hα-helixtrans-60.4-43.2175-72.7170.8000112.2I35 W36 K37 V41 V42 T43 P48I35-L39 HydrophobicContact CG2-CD1 4.33Å; I35-L39 WeakPolarHBondContact O-CG 3.25Å; I35-L39 PolarHBondContact O-N 3.03Å; W36-L39 WeakPolarHBondContact O-CB 3.04Å; W36-L39 PolarHBondContact O-N 2.92Å; K37-L39 VanDerWaalsContact C-N 3.34Å; K37-L39 PolarHBondContact O-N 2.79Å; L39-V41 VanDerWaalsContact C-N 3.32Å; L39-V41 PolarHBondContact O-N 2.79Å; L39-V42 PolarHBondContact O-N 3.34Å; L39-T43 WeakPolarHBondContact O-CB 3.45Å; L39-T43 VanDerWaalsContact O-CG2 3.29Å; L39-T43 WeakPolarHBondContact O-CG2 3.36Å; L39-T43 PolarHBondContact O-N 3.43Å; L39-T43 PolarHBondContact O-OG1 2.86Å; L39-P48 HydrophobicContact CB-CB 4.31Å; L39-P48 HydrophobicContact CB-CG 3.97Å
40M94.9Very high94.2Very high38 Ų3867.7 Ų67.719%0.18738%0.383CS..Hα-helixtrans-58.4-44.2176.1-68174.274.300111.6W36 K37 G38 T43 G44 S45 E46 P48W36-M40 WeakPolarHBondContact O-CG 3.45Å; W36-M40 PolarHBondContact O-N 2.88Å; K37-M40 HydrophobicContact CD-SD 3.8Å; K37-M40 WeakPolarHBondContact O-CB 3.06Å; K37-M40 PolarHBondContact O-N 2.8Å; G38-M40 PolarHBondContact O-N 3.13Å; M40-T43 PolarHBondContact O-OG1 2.83Å; M40-G44 CarbonylContact O-C 3.59Å; M40-G44 WeakPolarHBondContact O-CA 3.13Å; M40-G44 PolarHBondContact O-N 3.27Å; M40-S45 WeakPolarHBondContact CA-O 3.4Å; M40-S45 PolarHBondContact O-N 3.4Å; M40-E46 HydrophobicContact CE-CB 4.22Å; M40-E46 WeakPolarHBondContact CE-O 3.43Å; M40-P48 HydrophobicContact CG-CG 4.34Å
41V94.3Very high94.2Very high122 Ų12266.4 Ų66.474%0.73937%0.373SS*.Hα-helixtrans-67.5-46.8179.31740000111.5K37 G38 L39 T43 G44K37-V41 WeakPolarHBondContact O-CG2 3.5Å; K37-V41 PolarHBondContact O-N 2.87Å; G38-V41 PolarHBondContact O-N 3.07Å; L39-V41 VanDerWaalsContact C-N 3.32Å; L39-V41 PolarHBondContact O-N 2.79Å; V41-T43 PolarHBondContact O-N 3.14Å; V41-G44 PolarHBondContact O-N 3.41Å
42V93.7Very high94.3Very high93 Ų9363.6 Ų63.656%0.56435%0.353SS*.Hα-helixtrans-65.2-40.7-177.1169.10000112.3G38 L39 R72G38-V42 WeakPolarHBondContact O-CB 3.45Å; G38-V42 VanDerWaalsContact O-CG2 3.29Å; G38-V42 WeakPolarHBondContact O-CG2 3.21Å; G38-V42 PolarHBondContact O-N 3.39Å; L39-V42 PolarHBondContact O-N 3.34Å; V42-R72 PolarHBondContact O-NH2 2.98Å
43T93.4Very high94.3Very high20 Ų2065 Ų6512%0.12335%0.352CS..Hα-helixtrans-82.7-20.8-179.961.50000112.8L39 M40 V41 S45 P48 L69 T70 N71L39-T43 WeakPolarHBondContact O-CB 3.45Å; L39-T43 VanDerWaalsContact O-CG2 3.29Å; L39-T43 WeakPolarHBondContact O-CG2 3.36Å; L39-T43 PolarHBondContact O-N 3.43Å; L39-T43 PolarHBondContact O-OG1 2.86Å; M40-T43 PolarHBondContact O-OG1 2.83Å; V41-T43 PolarHBondContact O-N 3.14Å; T43-S45 PolarHBondContact O-N 2.76Å; T43-S45 PolarHBondContact OG1-N 3.49Å; T43-P48 HydrophobicContact CG2-CB 3.94Å; T43-L69 VanDerWaalsContact CB-O 3.31Å; T43-L69 WeakPolarHBondContact CB-O 3.25Å; T43-L69 WeakPolarHBondContact CG2-O 3.43Å; T43-T70 HydrophobicContact CG2-CG2 4.44Å; T43-T70 CarbonylContact O-C 3.56Å; T43-T70 WeakPolarHBondContact O-CA 3.35Å; T43-N71 PolarHBondContact O-N 3.12Å
44G92.4Very high94.2Very high38 Ų3862.6 Ų62.639%0.39234%0.344SS..  trans69.28.8-170.700000113.7M40 V41 N71M40-G44 CarbonylContact O-C 3.59Å; M40-G44 WeakPolarHBondContact O-CA 3.13Å; M40-G44 PolarHBondContact O-N 3.27Å; V41-G44 PolarHBondContact O-N 3.41Å; G44-N71 WeakPolarHBondContact O-CB 3.31Å
45S91.9Very high94.2Very high2 Ų257.7 Ų57.71%0.01433%0.327CS..  trans-105.8139.7-178.8-175.70000111M40 T43 S47 V139M40-S45 WeakPolarHBondContact CA-O 3.4Å; M40-S45 PolarHBondContact O-N 3.4Å; T43-S45 PolarHBondContact O-N 2.76Å; T43-S45 PolarHBondContact OG1-N 3.49Å; S45-S47 PolarHBondContact O-N 3.22Å; S45-S47 PolarHBondContact OG-N 3.22Å; S45-S47 PolarHBondContact OG-O 3.16Å; S45-V139 PolarHBondContact OG-O 3.27Å
46E89.4Confident94.1Very high145 Ų14553.3 Ų53.368%0.67831%0.306SS*.SBendtrans-67.9-22.9173.4-62.9-175168.700112.6M40M40-E46 HydrophobicContact CE-CB 4.22Å; M40-E46 WeakPolarHBondContact CE-O 3.43Å
47S92.2Very high94.2Very high36 Ų3648.3 Ų48.325%0.25229%0.287SS..  trans-132.778.2177.8-169.60000109.3S45 I49 V50 L69S45-S47 PolarHBondContact O-N 3.22Å; S45-S47 PolarHBondContact OG-N 3.22Å; S45-S47 PolarHBondContact OG-O 3.16Å; S47-I49 PolarHBondContact O-N 2.99Å; S47-I49 PolarHBondContact OG-O 2.67Å; S47-V50 WeakPolarHBondContact OG-CG1 3.43Å; S47-L69 WeakPolarHBondContact O-CD1 3.36Å
48P93.9Very high94.3Very high3 Ų345.8 Ų45.82%0.01928%0.277CS..SBendtrans-63.5-17-174.426-35.6000113.6W36 L39 M40 T43 F68 L69W36-P48 HydrophobicContact CH2-CG 4.33Å; W36-P48 HydrophobicContact CZ2-CG 4.39Å; L39-P48 HydrophobicContact CB-CB 4.31Å; L39-P48 HydrophobicContact CB-CG 3.97Å; M40-P48 HydrophobicContact CG-CG 4.34Å; T43-P48 HydrophobicContact CG2-CB 3.94Å; P48-F68 CarbonylContact O-C 3.59Å; P48-F68 WeakPolarHBondContact O-CA 3.47Å; P48-L69 PolarHBondContact O-N 3.37Å
49I94.9Very high94.2Very high49 Ų4949.6 Ų49.625%0.25130%0.296SS..EExtended strand (participates in β ladder)trans-132.7130.3-179.5-56.9177.6000108.2W36 S47 L66 L67 F68W36-I49 HydrophobicContact CZ3-CD1 4.39Å; S47-I49 PolarHBondContact O-N 2.99Å; S47-I49 PolarHBondContact OG-O 2.67Å; I49-L66 HydrophobicContact CG2-CD1 3.37Å; I49-L66 HydrophobicContact CG2-CD2 4.06Å; I49-L66 HydrophobicContact CG2-CG 3.72Å; I49-L67 WeakPolarHBondContact CA-O 3.36Å; I49-F68 HydrophobicContact CD1-CD1 4.43Å; I49-F68 HydrophobicContact CD1-CE1 4.1Å; I49-F68 HydrophobicContact CG1-CD1 3.98Å; I49-F68 HydrophobicContact CG1-CE1 4.13Å
50V95Very high94.2Very high15 Ų1548 Ų489%0.09129%0.293CS..EExtended strand (participates in β ladder)trans-138.8160.4174.4-60.80000110.9S47 L66 L67 L69 V84S47-V50 WeakPolarHBondContact OG-CG1 3.43Å; V50-L66 CarbonylContact O-C 3.54Å; V50-L67 HydrophobicContact CG2-CB 3.86Å; V50-L67 HydrophobicContact CG2-CD1 4.23Å; V50-L67 HydrophobicContact CG2-CG 4.34Å; V50-L67 PolarHBondContact N-O 2.97Å; V50-L67 PolarHBondContact O-N 3.23Å; V50-L69 HydrophobicContact CB-CD1 4.43Å; V50-L69 HydrophobicContact CG1-CD1 3.72Å; V50-L69 HydrophobicContact CG1-CG 4.43Å; V50-L69 HydrophobicContact CG2-CD1 3.81Å; V50-L69 HydrophobicContact CG2-CD2 4.01Å; V50-L69 HydrophobicContact CG2-CG 3.99Å; V50-V84 HydrophobicContact CG2-CG2 4.12Å
51V96.1Very high94.3Very high30 Ų3047 Ų4718%0.18229%0.288CS..EExtended strand (participates in β ladder)trans-115.1137.7178.7175.10000110.1L53 D65 L66 I154V51-L53 HydrophobicContact CG1-CD2 4.26Å; V51-L53 PolarHBondContact O-N 2.9Å; V51-D65 WeakPolarHBondContact CA-O 3.46Å; V51-L66 HydrophobicContact CG2-CD1 3.44Å; V51-L66 VanDerWaalsContact CG2-CD1 3.44Å; V51-I154 HydrophobicContact CG1-CD1 3.92Å; V51-I154 HydrophobicContact CG1-CG1 4.06Å
52V96.1Very high94.4Very high4 Ų444.4 Ų44.42%0.02427%0.267CS..  trans-74.7120.3174.2179.30000109.8S54 F61 H62 G64 D65 L67V52-S54 VanDerWaalsContact CG1-O 3.25Å; V52-S54 WeakPolarHBondContact CG1-O 3.13Å; V52-F61 HydrophobicContact CG2-CB 4.14Å; V52-H62 WeakPolarHBondContact CB-O 3.2Å; V52-H62 WeakPolarHBondContact CG1-O 3.43Å; V52-G64 PolarHBondContact O-N 3.3Å; V52-D65 HydrophobicContact CB-CB 4.41Å; V52-D65 HydrophobicContact CG2-CB 4.16Å; V52-D65 PolarHBondContact N-O 3.03Å; V52-L67 HydrophobicContact CG2-CD1 3.7Å; V52-L67 HydrophobicContact CG2-CD2 4.03Å; V52-L67 HydrophobicContact CG2-CG 3.83Å
53L94.4Very high94.5Very high89 Ų8946.2 Ų46.247%0.46626%0.264SS..  trans-99.3-16.2-173.3-58.2179000114V51 R63 I92 I154V51-L53 HydrophobicContact CG1-CD2 4.26Å; V51-L53 PolarHBondContact O-N 2.9Å; L53-R63 WeakPolarHBondContact O-CD 3.43Å; L53-R63 PolarHBondContact O-NE 3.06Å; L53-I92 HydrophobicContact CD1-CG2 3.63Å; L53-I154 HydrophobicContact CD2-CD1 4.18Å; L53-I154 HydrophobicContact CD2-CG1 3.91Å
54S93.6Very high94.6Very high58 Ų5845.3 Ų45.341%0.40626%0.258SS..SBendtrans-135.5168.3-174.564.50000112V52 S56V52-S54 VanDerWaalsContact CG1-O 3.25Å; V52-S54 WeakPolarHBondContact CG1-O 3.13Å; S54-S56 VanDerWaalsContact C-N 3.33Å; S54-S56 PolarHBondContact OG-OG 3.46Å
55G94.8Very high94.8Very high26 Ų2643.5 Ų43.527%0.26824%0.24SC..SBendtrans-89.218.4175.100000114.7M57 E58 N117G55-M57 PolarHBondContact O-N 3.43Å; G55-E58 PolarHBondContact O-N 3.14Å; G55-N117 WeakPolarHBondContact O-CB 3.34Å; G55-N117 PolarHBondContact O-ND2 3.04Å
56S95.4Very high95.1Very high20 Ų2044.8 Ų44.814%0.1425%0.246CC..THydrogen-bonded Turntrans-69.9-16.3-177.960.30000113.3S54 H96 G115 D116 N117 N118S54-S56 VanDerWaalsContact C-N 3.33Å; S54-S56 PolarHBondContact OG-OG 3.46Å; S56-H96 WeakPolarHBondContact CB-NE2 3.45Å; S56-H96 PolarHBondContact OG-NE2 2.85Å; S56-G115 CarbonylContact O-C 3.21Å; S56-G115 WeakPolarHBondContact O-CA 3.44Å; S56-D116 PolarHBondContact O-N 3.34Å; S56-N117 PolarHBondContact O-N 2.94Å; S56-N118 WeakPolarHBondContact CB-OD1 3.19Å
57M96.8Very high95.4Very high1 Ų137.9 Ų37.91%0.00521%0.214CC..THydrogen-bonded Turntrans-103.19.1179.7-72.7-59.4-67.900113.9G55 A60 F61 I82 V95 H96 R97 D116G55-M57 PolarHBondContact O-N 3.43Å; M57-A60 WeakPolarHBondContact O-CA 3.41Å; M57-A60 WeakPolarHBondContact O-CB 3.33Å; M57-A60 PolarHBondContact O-N 2.86Å; M57-F61 CarbonylContact C-O 3.27Å; M57-F61 VanDerWaalsContact C-O 3.27Å; M57-F61 HydrophobicContact CB-CB 3.95Å; M57-F61 HydrophobicContact CB-CD2 4.33Å; M57-F61 HydrophobicContact CE-CD2 4.18Å; M57-F61 PolarHBondContact O-N 3.47Å; M57-I82 HydrophobicContact CE-CB 4.49Å; M57-I82 HydrophobicContact CE-CD1 3.86Å; M57-I82 HydrophobicContact CE-CG1 3.94Å; M57-I82 HydrophobicContact CE-CG2 3.78Å; M57-V95 HydrophobicContact CG-CG1 4.47Å; M57-V95 WeakPolarHBondContact CG-O 3.25Å; M57-H96 VanDerWaalsContact SD-CA 3.56Å; M57-H96 HydrophobicContact SD-CB 4.37Å; M57-R97 HydrophobicContact CE-CB 4.48Å; M57-D116 WeakPolarHBondContact CE-OD2 3.49Å; M57-D116 HydrophobicContact SD-CB 4.44Å
58E95.8Very high95.6Very high73 Ų7340.2 Ų40.234%0.34122%0.22SC..THydrogen-bonded Turntrans-67.1141.7175.3-70.2177.8-168.600110.9G55 F61 H62 N117G55-E58 PolarHBondContact O-N 3.14Å; E58-F61 PolarHBondContact N-O 2.93Å; E58-H62 IonicContact OE1-CD2 3.99Å; E58-N117 HydrophobicContact CB-CB 4.3Å; E58-N117 WeakPolarHBondContact O-CB 3.48Å; E58-N117 PolarHBondContact O-N 2.78Å
59P94.7Very high95.7Very high113 Ų11340.1 Ų40.173%0.73422%0.219SC*.THydrogen-bonded Turncis-89.11.33.636.4-36.8000114.8H62P59-H62 PolarHBondContact O-CE1 3.26Å
60A94.6Very high95.7Very high34 Ų3438.9 Ų38.928%0.28121%0.214SC..THydrogen-bonded Turntrans-68.9-41.5-174.400000112.7M57 D116M57-A60 WeakPolarHBondContact O-CA 3.41Å; M57-A60 WeakPolarHBondContact O-CB 3.33Å; M57-A60 PolarHBondContact O-N 2.86Å; A60-D116 WeakPolarHBondContact CB-OD2 3.16Å
61F96.3Very high95.6Very high16 Ų1640 Ų407%0.0722%0.22CC..SBendtrans-135.9146.1174.1-61.4-51.5000111.1V52 M57 E58 D65 L67 I82 A142 F145V52-F61 HydrophobicContact CG2-CB 4.14Å; M57-F61 CarbonylContact C-O 3.27Å; M57-F61 VanDerWaalsContact C-O 3.27Å; M57-F61 HydrophobicContact CB-CB 3.95Å; M57-F61 HydrophobicContact CB-CD2 4.33Å; M57-F61 HydrophobicContact CE-CD2 4.18Å; M57-F61 PolarHBondContact O-N 3.47Å; E58-F61 PolarHBondContact N-O 2.93Å; F61-D65 WeakPolarHBondContact CA-OD2 3.45Å; F61-L67 HydrophobicContact CD1-CD2 3.86Å; F61-L67 HydrophobicContact CD2-CD1 4.36Å; F61-L67 HydrophobicContact CD2-CD2 4.22Å; F61-L67 HydrophobicContact CE1-CD2 3.78Å; F61-L67 HydrophobicContact CE2-CD1 4.24Å; F61-L67 HydrophobicContact CE2-CD2 4.07Å; F61-L67 HydrophobicContact CG-CD2 4.12Å; F61-L67 HydrophobicContact CZ-CD2 3.89Å; F61-I82 HydrophobicContact CD2-CD1 3.97Å; F61-I82 HydrophobicContact CD2-CG2 4.42Å; F61-I82 HydrophobicContact CE2-CB 4.21Å; F61-I82 HydrophobicContact CE2-CD1 3.2Å; F61-I82 HydrophobicContact CE2-CG1 4.24Å; F61-I82 HydrophobicContact CE2-CG2 3.82Å; F61-I82 HydrophobicContact CZ-CD1 3.71Å; F61-A142 HydrophobicContact CE2-CB 4.43Å; F61-A142 HydrophobicContact CZ-CB 4.4Å; F61-F145 HydrophobicContact CD1-CD1 4.28Å; F61-F145 HydrophobicContact CD1-CD2 4.22Å; F61-F145 HydrophobicContact CD1-CE2 4.45Å; F61-F145 HydrophobicContact CD1-CG 4.12Å; F61-F145 HydrophobicContact CE1-CB 4.08Å; F61-F145 AromaticContact CE1-CD1 3.54Å; F61-F145 HydrophobicContact CE1-CD1 3.54Å; F61-F145 HydrophobicContact CE1-CD2 4.25Å; F61-F145 AromaticContact CE1-CE1 3.93Å; F61-F145 HydrophobicContact CE1-CE1 3.93Å; F61-F145 AromaticContact CE1-CG 3.71Å; F61-F145 HydrophobicContact CE1-CG 3.71Å; F61-F145 HydrophobicContact CE1-CZ 4.44Å; F61-F145 HydrophobicContact CZ-CD1 4.49Å
62H96.5Very high95.2Very high68 Ų6845 Ų4532%0.31524%0.235SC..  trans-110.2158.1178.6-59.884.5000110.7V52 E58 P59 G64 D65V52-H62 WeakPolarHBondContact CB-O 3.2Å; V52-H62 WeakPolarHBondContact CG1-O 3.43Å; E58-H62 IonicContact OE1-CD2 3.99Å; P59-H62 PolarHBondContact O-CE1 3.26Å; H62-G64 PolarHBondContact O-N 2.79Å; H62-D65 PolarHBondContact N-OD2 2.94Å; H62-D65 WeakPolarHBondContact O-CB 3.45Å; H62-D65 VanDerWaalsContact O-CG 3.28Å; H62-D65 PolarHBondContact O-N 2.86Å
63R95.8Very high94.4Very high131 Ų13150.2 Ų50.249%0.49427%0.267SS..THydrogen-bonded Turntrans-56.5125.9172.5179.8177.6177.2-166.1-1.3109.9L53 I154 D158L53-R63 WeakPolarHBondContact O-CD 3.43Å; L53-R63 PolarHBondContact O-NE 3.06Å; R63-I154 HydrophobicContact CG-CD1 4.02Å; R63-D158 IonicContact NH2-OD2 2.57Å; R63-D158 PolarHBondContact NH2-OD2 3.42Å
64G96Very high93.8Very high0 Ų054.7 Ų54.70%029%0.285CS..THydrogen-bonded Turntrans97.8-1.7-177.600000114.8V52 H62 Y148 I149 G150V52-G64 PolarHBondContact O-N 3.3Å; H62-G64 PolarHBondContact O-N 2.79Å; G64-Y148 CarbonylContact O-C 3.59Å; G64-Y148 VanDerWaalsContact O-C 3.27Å; G64-Y148 WeakPolarHBondContact O-CA 3.27Å; G64-Y148 PolarHBondContact O-N 3.31Å; G64-I149 PolarHBondContact O-N 2.97Å; G64-G150 WeakPolarHBondContact O-CA 3.42Å; G64-G150 PolarHBondContact O-N 3.26Å
65D97.4Very high93.4Very high1 Ų154.1 Ų54.11%0.00528%0.277CS..  trans-69.6133.9171.8-68.5-9.4000110.6V51 V52 F61 H62 L67 F145 P147 Y148V51-D65 WeakPolarHBondContact CA-O 3.46Å; V52-D65 HydrophobicContact CB-CB 4.41Å; V52-D65 HydrophobicContact CG2-CB 4.16Å; V52-D65 PolarHBondContact N-O 3.03Å; F61-D65 WeakPolarHBondContact CA-OD2 3.45Å; H62-D65 PolarHBondContact N-OD2 2.94Å; H62-D65 WeakPolarHBondContact O-CB 3.45Å; H62-D65 VanDerWaalsContact O-CG 3.28Å; H62-D65 PolarHBondContact O-N 2.86Å; D65-L67 HydrophobicContact CB-CD2 4.37Å; D65-F145 HydrophobicContact CB-CD2 4.24Å; D65-P147 WeakPolarHBondContact OD1-CA 3.35Å; D65-Y148 PolarHBondContact OD1-N 3.19Å
66L96.8Very high93Very high28 Ų2856 Ų5615%0.14729%0.285CS..EExtended strand (participates in β ladder)trans-94.1115.8176.1-172.376.4000108.8I49 V50 V51 F68 F145 V146 I149I49-L66 HydrophobicContact CG2-CD1 3.37Å; I49-L66 HydrophobicContact CG2-CD2 4.06Å; I49-L66 HydrophobicContact CG2-CG 3.72Å; V50-L66 CarbonylContact O-C 3.54Å; V51-L66 HydrophobicContact CG2-CD1 3.44Å; V51-L66 VanDerWaalsContact CG2-CD1 3.44Å; L66-F68 HydrophobicContact CD2-CZ 4.48Å; L66-F145 CarbonylContact O-C 3.27Å; L66-F145 WeakPolarHBondContact O-CA 3.41Å; L66-F145 WeakPolarHBondContact O-CB 3.44Å; L66-V146 PolarHBondContact N-O 2.89Å; L66-V146 PolarHBondContact O-N 3.22Å; L66-I149 HydrophobicContact CB-CB 4.45Å; L66-I149 HydrophobicContact CD2-CG2 4.23Å
67L96.9Very high92.8Very high0 Ų055.9 Ų55.90%028%0.283CS..EExtended strand (participates in β ladder)trans-99.7137.5-177.7-48.5-176.6000111.2I49 V50 V52 F61 D65 L69 V95 A142 F145I49-L67 WeakPolarHBondContact CA-O 3.36Å; V50-L67 HydrophobicContact CG2-CB 3.86Å; V50-L67 HydrophobicContact CG2-CD1 4.23Å; V50-L67 HydrophobicContact CG2-CG 4.34Å; V50-L67 PolarHBondContact N-O 2.97Å; V50-L67 PolarHBondContact O-N 3.23Å; V52-L67 HydrophobicContact CG2-CD1 3.7Å; V52-L67 HydrophobicContact CG2-CD2 4.03Å; V52-L67 HydrophobicContact CG2-CG 3.83Å; F61-L67 HydrophobicContact CD1-CD2 3.86Å; F61-L67 HydrophobicContact CD2-CD1 4.36Å; F61-L67 HydrophobicContact CD2-CD2 4.22Å; F61-L67 HydrophobicContact CE1-CD2 3.78Å; F61-L67 HydrophobicContact CE2-CD1 4.24Å; F61-L67 HydrophobicContact CE2-CD2 4.07Å; F61-L67 HydrophobicContact CG-CD2 4.12Å; F61-L67 HydrophobicContact CZ-CD2 3.89Å; D65-L67 HydrophobicContact CB-CD2 4.37Å; L67-L69 HydrophobicContact CB-CD2 4.11Å; L67-V95 HydrophobicContact CD1-CB 4.47Å; L67-V95 HydrophobicContact CD1-CG1 3.62Å; L67-V95 HydrophobicContact CD1-CG2 4.13Å; L67-A142 HydrophobicContact CD1-CB 4.36Å; L67-F145 HydrophobicContact CD2-CB 3.5Å; L67-F145 HydrophobicContact CD2-CG 4.43Å
68F96.8Very high92.6Very high85 Ų8563.2 Ų63.237%0.37331%0.31SS..EExtended strand (participates in β ladder)trans-95.8123.7169.3-62.8-73.1000110.2P48 I49 L66 A142 R143 G144 V146P48-F68 CarbonylContact O-C 3.59Å; P48-F68 WeakPolarHBondContact O-CA 3.47Å; I49-F68 HydrophobicContact CD1-CD1 4.43Å; I49-F68 HydrophobicContact CD1-CE1 4.1Å; I49-F68 HydrophobicContact CG1-CD1 3.98Å; I49-F68 HydrophobicContact CG1-CE1 4.13Å; L66-F68 HydrophobicContact CD2-CZ 4.48Å; F68-A142 WeakPolarHBondContact O-CA 3.44Å; F68-R143 PolarHBondContact O-N 2.88Å; F68-G144 PolarHBondContact N-O 2.91Å; F68-V146 HydrophobicContact CE2-CG2 3.65Å; F68-V146 HydrophobicContact CZ-CG2 4.11Å
69L96.2Very high92.6Very high1 Ų164 Ų641%0.00532%0.32CS..EExtended strand (participates in β ladder)trans-105.9147.5-174.7-53.4-166.6000112.4T43 S47 P48 V50 L67 V84 R141 A142T43-L69 VanDerWaalsContact CB-O 3.31Å; T43-L69 WeakPolarHBondContact CB-O 3.25Å; T43-L69 WeakPolarHBondContact CG2-O 3.43Å; S47-L69 WeakPolarHBondContact O-CD1 3.36Å; P48-L69 PolarHBondContact O-N 3.37Å; V50-L69 HydrophobicContact CB-CD1 4.43Å; V50-L69 HydrophobicContact CG1-CD1 3.72Å; V50-L69 HydrophobicContact CG1-CG 4.43Å; V50-L69 HydrophobicContact CG2-CD1 3.81Å; V50-L69 HydrophobicContact CG2-CD2 4.01Å; V50-L69 HydrophobicContact CG2-CG 3.99Å; L67-L69 HydrophobicContact CB-CD2 4.11Å; L69-V84 HydrophobicContact CD1-CB 3.64Å; L69-V84 HydrophobicContact CD1-CG1 4.04Å; L69-V84 HydrophobicContact CD1-CG2 3.51Å; L69-V84 HydrophobicContact CD2-CB 4.49Å; L69-V84 HydrophobicContact CD2-CG2 3.53Å; L69-V84 HydrophobicContact CG-CG2 4.2Å; L69-R141 CarbonylContact C-O 3.58Å; L69-R141 VanDerWaalsContact CA-O 3.25Å; L69-R141 WeakPolarHBondContact CA-O 3.42Å; L69-A142 HydrophobicContact CD2-CB 4.12Å
70T94.3Very high92.6Very high24 Ų2460.1 Ų60.115%0.14730%0.3CS..EExtended strand (participates in β ladder)trans-134.6144169.260.20000110.2T43 G140 R141 R143T43-T70 HydrophobicContact CG2-CG2 4.44Å; T43-T70 CarbonylContact O-C 3.56Å; T43-T70 WeakPolarHBondContact O-CA 3.35Å; T70-G140 WeakPolarHBondContact O-CA 3.46Å; T70-R141 PolarHBondContact N-O 3.33Å; T70-R141 PolarHBondContact O-N 2.8Å; T70-R143 HydrophobicContact CG2-CB 4.49Å; T70-R143 HydrophobicContact CG2-CG 3.76Å; T70-R143 WeakPolarHBondContact OG1-CG 3.02Å; T70-R143 PolarHBondContact OG1-NE 3.02Å
71N92.6Very high92.6Very high39 Ų3960.7 Ų60.721%0.20930%0.297CS..  trans-138.457.4178.9-162.118.2000111.8T43 G44 V138 V139T43-N71 PolarHBondContact O-N 3.12Å; G44-N71 WeakPolarHBondContact O-CB 3.31Å; N71-V138 PolarHBondContact ND2-O 2.98Å; N71-V139 WeakPolarHBondContact CB-O 3.27Å; N71-V139 PolarHBondContact ND2-O 2.96Å
72R86.8Confident92.7Very high133 Ų13360.9 Ų60.950%0.50230%0.299SS..  trans-78.1133.5178-65.2-172.7178.5169.2-0.1111V42 E74 D75V42-R72 PolarHBondContact O-NH2 2.98Å; R72-E74 VanDerWaalsContact C-N 3.3Å; R72-E74 PolarHBondContact O-N 3.31Å; R72-D75 PolarHBondContact O-N 2.77Å
73V80Confident92.6Very high114 Ų11457.8 Ų57.869%0.69128%0.284SS*.THydrogen-bonded Turntrans-64.6-36.3-179.1177.80000112D75V73-D75 VanDerWaalsContact C-N 3.25Å; V73-D75 PolarHBondContact O-N 3.36Å
74E82.3Confident92.7Very high184 Ų18451.5 Ų51.586%0.8626%0.261SS*.THydrogen-bonded Turntrans-68.7-19.6-176.3-65.4161.8-168.100113.9R72 P76R72-E74 VanDerWaalsContact C-N 3.3Å; R72-E74 PolarHBondContact O-N 3.31Å; E74-P76 WeakPolarHBondContact O-CD 3.46Å
75D83.9Confident92.6Very high45 Ų4551.5 Ų51.524%0.24126%0.261CS..SBendtrans-113100.4-176.4-178.727.4000110.3R72 V73 R141 R143R72-D75 PolarHBondContact O-N 2.77Å; V73-D75 VanDerWaalsContact C-N 3.25Å; V73-D75 PolarHBondContact O-N 3.36Å; D75-R141 VanDerWaalsContact CB-NH2 3.34Å; D75-R141 VanDerWaalsContact CG-NH2 3.25Å; D75-R141 PolarHBondContact O-NH2 2.91Å; D75-R141 IonicContact OD1-NH1 3.78Å; D75-R141 IonicContact OD2-CZ 3.63Å; D75-R141 VanDerWaalsContact OD2-CZ 3.22Å; D75-R141 IonicContact OD2-NH1 2.84Å; D75-R141 PolarHBondContact OD2-NH1 2.86Å; D75-R141 IonicContact OD2-NH2 3.62Å; D75-R141 PolarHBondContact OD2-NH2 3.34Å; D75-R143 IonicContact OD2-CZ 3.4Å; D75-R143 IonicContact OD2-NH2 3.63Å; D75-R143 PolarHBondContact OD2-NH2 3.33Å
76P86.8Confident92.5Very high66 Ų6658.4 Ų58.443%0.42929%0.287SS..  trans-68.2144.6-172.628.2-34.5000111.5E74E74-P76 WeakPolarHBondContact O-CD 3.46Å
77I91.2Very high92.2Very high18 Ų1857.4 Ų57.49%0.09228%0.281CS..  trans-67137176.9-52.1-177.8000109.1E81 V83 V98 I101 F111 V138 R141I77-E81 WeakPolarHBondContact CA-OE2 3.26Å; I77-E81 WeakPolarHBondContact CG2-OE2 3.36Å; I77-V83 HydrophobicContact CD1-CG1 4.28Å; I77-V83 HydrophobicContact CG2-CG1 3.84Å; I77-V98 HydrophobicContact CG2-CG2 3.86Å; I77-I101 WeakPolarHBondContact O-CD1 3.47Å; I77-F111 HydrophobicContact CB-CD1 4.47Å; I77-F111 HydrophobicContact CB-CE1 3.73Å; I77-F111 HydrophobicContact CB-CZ 4.2Å; I77-F111 HydrophobicContact CD1-CE1 4.16Å; I77-F111 HydrophobicContact CD1-CE2 4.33Å; I77-F111 HydrophobicContact CD1-CZ 3.9Å; I77-F111 HydrophobicContact CG1-CE1 4.38Å; I77-F111 HydrophobicContact CG1-CZ 4.37Å; I77-F111 HydrophobicContact CG2-CD1 4.27Å; I77-F111 HydrophobicContact CG2-CE1 4.02Å; I77-V138 HydrophobicContact CD1-CB 4.28Å; I77-V138 HydrophobicContact CD1-CG1 3.91Å; I77-V138 HydrophobicContact CD1-CG2 4Å; I77-R141 HydrophobicContact CG1-CG 4.45Å
78R92.4Very high91.6Very high155 Ų15564 Ų6459%0.58531%0.312SS*.  trans-117.8156.8-179.2-59.9-178.7-171.7-178.71.4112.4G80 E81 I101R78-G80 PolarHBondContact O-N 3.32Å; R78-E81 HydrophobicContact CB-CG 4.16Å; R78-E81 PolarHBondContact N-OE2 2.7Å; R78-E81 WeakPolarHBondContact O-CB 2.98Å; R78-E81 PolarHBondContact O-N 3.18Å; R78-I101 VanDerWaalsContact C-CD1 3.45Å
79V95.8Very high91Very high90 Ų9064 Ų6455%0.54534%0.336SS..THydrogen-bonded Turntrans-58.3134.9171.5177.20000108.9L99 I101V79-L99 WeakPolarHBondContact CG1-O 3.36Å; V79-I101 HydrophobicContact CG2-CB 4.19Å; V79-I101 HydrophobicContact CG2-CD1 4.13Å; V79-I101 HydrophobicContact CG2-CG1 3.73Å
80G95.4Very high90.5Very high31 Ų3169.4 Ų69.432%0.3236%0.357SS..THydrogen-bonded Turntrans91.2-13.1-177.700000114.8R78 R97 V98R78-G80 PolarHBondContact O-N 3.32Å; G80-R97 WeakPolarHBondContact O-CG 3.37Å; G80-R97 PolarHBondContact O-NH1 2.92Å; G80-V98 PolarHBondContact N-O 3.46Å
81E95.4Very high90.1Very high45 Ų4577.2 Ų77.221%0.2139%0.392CS..  trans-70.4153.8174.1-68.4-169.5141.900111.9I77 R78 R97 V98 R141I77-E81 WeakPolarHBondContact CA-OE2 3.26Å; I77-E81 WeakPolarHBondContact CG2-OE2 3.36Å; R78-E81 HydrophobicContact CB-CG 4.16Å; R78-E81 PolarHBondContact N-OE2 2.7Å; R78-E81 WeakPolarHBondContact O-CB 2.98Å; R78-E81 PolarHBondContact O-N 3.18Å; E81-R97 CarbonylContact O-C 3.58Å; E81-R97 WeakPolarHBondContact O-CA 3.42Å; E81-V98 PolarHBondContact O-N 3.24Å; E81-R141 IonicContact OE1-NH1 3.55Å; E81-R141 PolarHBondContact OE1-NH1 3.31Å; E81-R141 VanDerWaalsContact OE1-NH1 3.09Å; E81-R141 WeakPolarHBondContact OE2-CD 3.46Å; E81-R141 IonicContact OE2-NH1 2.77Å; E81-R141 PolarHBondContact OE2-NH1 3.49Å
82I96.8Very high89.9Confident21 Ų2180.4 Ų80.411%0.10841%0.407CS..EExtended strand (participates in β ladder)trans-100.6118.1177.4-55.8169.2000108.7M57 F61 V95 R141 A142M57-I82 HydrophobicContact CE-CB 4.49Å; M57-I82 HydrophobicContact CE-CD1 3.86Å; M57-I82 HydrophobicContact CE-CG1 3.94Å; M57-I82 HydrophobicContact CE-CG2 3.78Å; F61-I82 HydrophobicContact CD2-CD1 3.97Å; F61-I82 HydrophobicContact CD2-CG2 4.42Å; F61-I82 HydrophobicContact CE2-CB 4.21Å; F61-I82 HydrophobicContact CE2-CD1 3.2Å; F61-I82 HydrophobicContact CE2-CG1 4.24Å; F61-I82 HydrophobicContact CE2-CG2 3.82Å; F61-I82 HydrophobicContact CZ-CD1 3.71Å; I82-V95 HydrophobicContact CG2-CG1 3.6Å; I82-R141 WeakPolarHBondContact O-CA 3.25Å; I82-A142 HydrophobicContact CB-CB 4.29Å; I82-A142 HydrophobicContact CG2-CB 4.38Å; I82-A142 PolarHBondContact O-N 2.98Å
83V96.3Very high90.3Very high2 Ų276.7 Ų76.71%0.01240%0.401CS..EExtended strand (participates in β ladder)trans-112.2147.4-176-68.10000110.3I77 F85 V95 H96 V98 T113 V138 R141I77-V83 HydrophobicContact CD1-CG1 4.28Å; I77-V83 HydrophobicContact CG2-CG1 3.84Å; V83-F85 HydrophobicContact CG2-CD1 4.26Å; V83-V95 WeakPolarHBondContact O-CA 3.38Å; V83-H96 WeakPolarHBondContact CG2-O 3.13Å; V83-H96 PolarHBondContact N-O 3.49Å; V83-H96 PolarHBondContact O-N 2.69Å; V83-V98 HydrophobicContact CB-CG2 4.32Å; V83-V98 HydrophobicContact CG1-CG2 3.63Å; V83-V98 HydrophobicContact CG2-CG2 3.71Å; V83-T113 HydrophobicContact CG2-CG2 3.58Å; V83-V138 HydrophobicContact CB-CG1 4.35Å; V83-V138 HydrophobicContact CG1-CG1 4.4Å; V83-R141 HydrophobicContact CG1-CG 3.98Å
84V96.5Very high91Very high0 Ų072.5 Ų72.50%037%0.374CS..EExtended strand (participates in β ladder)trans-108.1120.2169.7-174.20000107.1V50 L69 P93 I94 V95 V139 G140V50-V84 HydrophobicContact CG2-CG2 4.12Å; L69-V84 HydrophobicContact CD1-CB 3.64Å; L69-V84 HydrophobicContact CD1-CG1 4.04Å; L69-V84 HydrophobicContact CD1-CG2 3.51Å; L69-V84 HydrophobicContact CD2-CB 4.49Å; L69-V84 HydrophobicContact CD2-CG2 3.53Å; L69-V84 HydrophobicContact CG-CG2 4.2Å; V84-P93 HydrophobicContact CG1-CB 3.82Å; V84-P93 HydrophobicContact CG1-CG 4.38Å; V84-I94 VanDerWaalsContact CA-O 3.32Å; V84-I94 WeakPolarHBondContact CA-O 3.36Å; V84-V95 HydrophobicContact CG1-CG2 4.27Å; V84-V95 HydrophobicContact CG2-CB 4.39Å; V84-V95 HydrophobicContact CG2-CG1 4.2Å; V84-V95 HydrophobicContact CG2-CG2 3.83Å; V84-V139 HydrophobicContact CG1-CB 4.46Å; V84-V139 WeakPolarHBondContact O-CB 3.28Å; V84-V139 PolarHBondContact O-N 3.48Å; V84-G140 PolarHBondContact N-O 2.98Å; V84-G140 PolarHBondContact O-N 3.42Å
85F94.9Very high91.7Very high0 Ų064.5 Ų64.50%034%0.337CS..EExtended strand (participates in β ladder)trans-130.9154.2-177.165.7-86.1000111V83 I87 P93 I94 H96 T113 Y126 L133 D137V83-F85 HydrophobicContact CG2-CD1 4.26Å; F85-I87 HydrophobicContact CD2-CG1 3.99Å; F85-I87 HydrophobicContact CE2-CD1 3.89Å; F85-I87 HydrophobicContact CE2-CG1 3.73Å; F85-P93 WeakPolarHBondContact O-CA 3.43Å; F85-I94 WeakPolarHBondContact CD1-O 3.48Å; F85-I94 HydrophobicContact CE1-CB 4.01Å; F85-I94 HydrophobicContact CE1-CG2 3.87Å; F85-I94 HydrophobicContact CE2-CB 4.11Å; F85-I94 HydrophobicContact CE2-CD1 4.25Å; F85-I94 HydrophobicContact CE2-CG2 4.48Å; F85-I94 HydrophobicContact CZ-CB 3.79Å; F85-I94 HydrophobicContact CZ-CD1 4.37Å; F85-I94 HydrophobicContact CZ-CG2 3.7Å; F85-I94 PolarHBondContact N-O 3.42Å; F85-I94 PolarHBondContact O-N 2.91Å; F85-H96 HydrophobicContact CE1-CB 4.17Å; F85-T113 HydrophobicContact CD1-CG2 4.44Å; F85-T113 HydrophobicContact CE1-CG2 4.18Å; F85-T113 WeakPolarHBondContact CE1-OG1 3.15Å; F85-Y126 HydrophobicContact CE2-CD1 4.44Å; F85-Y126 HydrophobicContact CE2-CE1 4.07Å; F85-Y126 HydrophobicContact CZ-CE1 4.26Å; F85-L133 HydrophobicContact CB-CD1 4.19Å; F85-L133 HydrophobicContact CD1-CD1 3.81Å; F85-L133 HydrophobicContact CD2-CD1 3.48Å; F85-L133 VanDerWaalsContact CD2-CD1 3.48Å; F85-L133 HydrophobicContact CD2-CD2 3.75Å; F85-L133 HydrophobicContact CD2-CG 4.27Å; F85-L133 HydrophobicContact CE1-CD1 3.98Å; F85-L133 HydrophobicContact CE2-CD1 3.65Å; F85-L133 HydrophobicContact CE2-CD2 4.03Å; F85-L133 HydrophobicContact CE2-CG 4.45Å; F85-L133 HydrophobicContact CG-CD1 3.55Å; F85-L133 HydrophobicContact CG-CD2 4.48Å; F85-L133 HydrophobicContact CZ-CD1 3.9Å; F85-D137 CarbonylContact C-O 3.49Å; F85-D137 WeakPolarHBondContact CA-O 3.5Å; F85-D137 VanDerWaalsContact CB-O 3.29Å; F85-D137 WeakPolarHBondContact CB-O 3.43Å
86R93.6Very high92.3Very high146 Ų14662.5 Ų62.555%0.55133%0.327SS*.  trans-109.4136.3175.7-174.7173.162.1-173.6-3.6109.1D137 V139R86-D137 PolarHBondContact N-O 3.49Å; R86-V139 HydrophobicContact CB-CG2 4.3Å
87I90.9Very high92.8Very high6 Ų663 Ų633%0.03132%0.32CS..  trans-97.9133171.6-53.8-176.5000107.6F85 G89 R90 I94 L125 Y126F85-I87 HydrophobicContact CD2-CG1 3.99Å; F85-I87 HydrophobicContact CE2-CD1 3.89Å; F85-I87 HydrophobicContact CE2-CG1 3.73Å; I87-G89 PolarHBondContact O-N 3.47Å; I87-R90 HydrophobicContact CB-CB 4.46Å; I87-R90 HydrophobicContact CB-CG 4.4Å; I87-R90 PolarHBondContact O-N 3.42Å; I87-I94 HydrophobicContact CD1-CD1 3.53Å; I87-I94 HydrophobicContact CG1-CD1 4.13Å; I87-L125 HydrophobicContact CD1-CB 4.06Å; I87-L125 WeakPolarHBondContact CD1-O 3.42Å; I87-Y126 HydrophobicContact CD1-CD1 4.26Å
88E85.6Confident93.1Very high138 Ų13862.2 Ų62.265%0.64532%0.316SS*.THydrogen-bonded Turntrans-57.4129.5174.9-164.9-173.7168.700110.4K127E88-K127 VanDerWaalsContact CD-NZ 3.34Å; E88-K127 IonicContact OE1-NZ 3.4Å; E88-K127 PolarHBondContact OE1-NZ 2.69Å; E88-K127 IonicContact OE2-NZ 3.22Å; E88-K127 PolarHBondContact OE2-NZ 3.46Å
89G83.5Confident93.3Very high85 Ų8558.5 Ų58.588%0.87631%0.308SS*.THydrogen-bonded Turntrans86.8-0.8-174.800000115I87I87-G89 PolarHBondContact O-N 3.47Å
90R86.4Confident93.3Very high116 Ų11659.8 Ų59.844%0.43831%0.306SS..  trans-114132167.4-62.9-167.8-173.9-155.13.4110.6I87I87-R90 HydrophobicContact CB-CB 4.46Å; I87-R90 HydrophobicContact CB-CG 4.4Å; I87-R90 PolarHBondContact O-N 3.42Å
91E84.4Confident93.2Very high188 Ų18860.6 Ų60.688%0.87930%0.302SS*.SBendtrans-77.2-32.3177.9-62.2-173167.100112.3
92I89.9Confident93Very high106 Ų10662.5 Ų62.554%0.54431%0.311SS..SBendtrans-93.2123.5-174.2-57.2177.2000109.8L53L53-I92 HydrophobicContact CD1-CG2 3.63Å
93P93.5Very high92.5Very high55 Ų5568.6 Ų68.636%0.35734%0.339SS..  trans-70.1155.3176.130.5-34.9000111.7V84 F85V84-P93 HydrophobicContact CG1-CB 3.82Å; V84-P93 HydrophobicContact CG1-CG 4.38Å; F85-P93 WeakPolarHBondContact O-CA 3.43Å
94I95.4Very high91.9Very high25 Ų2573.7 Ų73.713%0.12836%0.361CS..EExtended strand (participates in β ladder)trans-112.5137.1-178.3-61.4168.3000108.8V84 F85 I87 H96V84-I94 VanDerWaalsContact CA-O 3.32Å; V84-I94 WeakPolarHBondContact CA-O 3.36Å; F85-I94 WeakPolarHBondContact CD1-O 3.48Å; F85-I94 HydrophobicContact CE1-CB 4.01Å; F85-I94 HydrophobicContact CE1-CG2 3.87Å; F85-I94 HydrophobicContact CE2-CB 4.11Å; F85-I94 HydrophobicContact CE2-CD1 4.25Å; F85-I94 HydrophobicContact CE2-CG2 4.48Å; F85-I94 HydrophobicContact CZ-CB 3.79Å; F85-I94 HydrophobicContact CZ-CD1 4.37Å; F85-I94 HydrophobicContact CZ-CG2 3.7Å; F85-I94 PolarHBondContact N-O 3.42Å; F85-I94 PolarHBondContact O-N 2.91Å; I87-I94 HydrophobicContact CD1-CD1 3.53Å; I87-I94 HydrophobicContact CG1-CD1 4.13Å; I94-H96 WeakPolarHBondContact CG2-ND1 3.32Å
95V96.6Very high91Very high16 Ų1683.7 Ų83.710%0.09741%0.408CS..EExtended strand (participates in β ladder)trans-108.9109.3178.7-176.50000108.3M57 L67 I82 V83 V84M57-V95 HydrophobicContact CG-CG1 4.47Å; M57-V95 WeakPolarHBondContact CG-O 3.25Å; L67-V95 HydrophobicContact CD1-CB 4.47Å; L67-V95 HydrophobicContact CD1-CG1 3.62Å; L67-V95 HydrophobicContact CD1-CG2 4.13Å; I82-V95 HydrophobicContact CG2-CG1 3.6Å; V83-V95 WeakPolarHBondContact O-CA 3.38Å; V84-V95 HydrophobicContact CG1-CG2 4.27Å; V84-V95 HydrophobicContact CG2-CB 4.39Å; V84-V95 HydrophobicContact CG2-CG1 4.2Å; V84-V95 HydrophobicContact CG2-CG2 3.83Å
96H97.6Very high90.2Very high4 Ų488.7 Ų88.72%0.01944%0.435CS..EExtended strand (participates in β ladder)trans-143.2166.3177.6-71162.8000113S56 M57 V83 F85 I94 G115 D122S56-H96 WeakPolarHBondContact CB-NE2 3.45Å; S56-H96 PolarHBondContact OG-NE2 2.85Å; M57-H96 VanDerWaalsContact SD-CA 3.56Å; M57-H96 HydrophobicContact SD-CB 4.37Å; V83-H96 WeakPolarHBondContact CG2-O 3.13Å; V83-H96 PolarHBondContact N-O 3.49Å; V83-H96 PolarHBondContact O-N 2.69Å; F85-H96 HydrophobicContact CE1-CB 4.17Å; I94-H96 WeakPolarHBondContact CG2-ND1 3.32Å; H96-G115 WeakPolarHBondContact CD2-CA 3.41Å; H96-D122 WeakPolarHBondContact CB-OD2 3.32Å; H96-D122 IonicContact CE1-OD1 2.7Å; H96-D122 PolarHBondContact CE1-OD1 3.19Å; H96-D122 IonicContact CE1-OD2 3.16Å; H96-D122 IonicContact CG-OD2 3.4Å; H96-D122 IonicContact ND1-OD1 2.69Å; H96-D122 PolarHBondContact ND1-OD1 3.23Å; H96-D122 IonicContact ND1-OD2 2.93Å; H96-D122 PolarHBondContact ND1-OD2 3.4Å
97R97.6Very high89.3Confident76 Ų7684 Ų8429%0.28743%0.431SS..EExtended strand (participates in β ladder)trans-85137.9-179.9-169177.7-57.4-84.70.7111.4M57 G80 E81 L99 T113 K114 D116M57-R97 HydrophobicContact CE-CB 4.48Å; G80-R97 WeakPolarHBondContact O-CG 3.37Å; G80-R97 PolarHBondContact O-NH1 2.92Å; E81-R97 CarbonylContact O-C 3.58Å; E81-R97 WeakPolarHBondContact O-CA 3.42Å; R97-L99 PolarHBondContact O-N 3.28Å; R97-T113 CarbonylContact O-C 3.43Å; R97-T113 WeakPolarHBondContact O-CA 3.42Å; R97-K114 PolarHBondContact N-O 2.99Å; R97-K114 PolarHBondContact O-N 2.85Å; R97-D116 WeakPolarHBondContact CB-OD1 3.29Å; R97-D116 IonicContact CZ-OD1 2.73Å; R97-D116 IonicContact CZ-OD2 3.09Å; R97-D116 IonicContact NE-OD1 2.69Å; R97-D116 PolarHBondContact NE-OD1 3.38Å; R97-D116 IonicContact NE-OD2 3.72Å; R97-D116 PolarHBondContact NE-OD2 3.3Å; R97-D116 IonicContact NH2-OD1 3.73Å; R97-D116 IonicContact NH2-OD2 2.85Å; R97-D116 PolarHBondContact NH2-OD2 3.49Å
98V97.2Very high89Confident1 Ų187.6 Ų87.61%0.00645%0.451CS..EExtended strand (participates in β ladder)trans-70114.3172.2-178.10000109.4I77 G80 E81 V83 I101 F111 T113I77-V98 HydrophobicContact CG2-CG2 3.86Å; G80-V98 PolarHBondContact N-O 3.46Å; E81-V98 PolarHBondContact O-N 3.24Å; V83-V98 HydrophobicContact CB-CG2 4.32Å; V83-V98 HydrophobicContact CG1-CG2 3.63Å; V83-V98 HydrophobicContact CG2-CG2 3.71Å; V98-I101 HydrophobicContact CG1-CD1 4.05Å; V98-I101 HydrophobicContact CG1-CG1 3.64Å; V98-F111 HydrophobicContact CG1-CD1 4.41Å; V98-T113 HydrophobicContact CG2-CG2 4.35Å
99L96.3Very high89.1Confident78 Ų7883 Ų8341%0.40843%0.43SS..EExtended strand (participates in β ladder)trans-87.1-42.6178.9-173.866.7000111.9V79 R97 L112 K114V79-L99 WeakPolarHBondContact CG1-O 3.36Å; R97-L99 PolarHBondContact O-N 3.28Å; L99-L112 WeakPolarHBondContact CA-O 3.49Å; L99-L112 WeakPolarHBondContact CB-O 3.29Å; L99-L112 HydrophobicContact CD2-CD2 4.09Å; L99-L112 HydrophobicContact CD2-CG 4.48Å; L99-L112 PolarHBondContact N-O 3.08Å; L99-K114 HydrophobicContact CB-CB 4.47Å; L99-K114 HydrophobicContact CD2-CB 4.43Å
100K94.6Very high89.6Confident117 Ų11781.4 Ų81.451%0.50940%0.399SS..EExtended strand (participates in β ladder)trans-145.2148-179.7-66.7-174.4180-179.50111.4L112K100-L112 HydrophobicContact CB-CB 4.28Å; K100-L112 PolarHBondContact N-O 2.82Å; K100-L112 PolarHBondContact O-N 3.4Å
101I94Very high90Very high47 Ų4776 Ų7624%0.24138%0.379CS..EExtended strand (participates in β ladder)trans-121.8131.8173.5-59.1-172.4000108.2I77 R78 V79 V98 I109 K110 F111I77-I101 WeakPolarHBondContact O-CD1 3.47Å; R78-I101 VanDerWaalsContact C-CD1 3.45Å; V79-I101 HydrophobicContact CG2-CB 4.19Å; V79-I101 HydrophobicContact CG2-CD1 4.13Å; V79-I101 HydrophobicContact CG2-CG1 3.73Å; V98-I101 HydrophobicContact CG1-CD1 4.05Å; V98-I101 HydrophobicContact CG1-CG1 3.64Å; I101-I109 HydrophobicContact CG2-CG2 3.46Å; I101-I109 VanDerWaalsContact CG2-CG2 3.46Å; I101-K110 CarbonylContact C-O 3.49Å; I101-K110 WeakPolarHBondContact CA-O 3.18Å; I101-F111 HydrophobicContact CD1-CD1 4.1Å; I101-F111 HydrophobicContact CD1-CE1 4.1Å; I101-F111 HydrophobicContact CG1-CD1 3.91Å; I101-F111 HydrophobicContact CG1-CE1 4.31Å; I101-F111 HydrophobicContact CG2-CD1 4.43Å; I101-F111 HydrophobicContact CG2-CE1 4.31Å
102H90.5Very high90.5Very high86 Ų8667.2 Ų67.240%0.39834%0.338SS..EExtended strand (participates in β ladder)trans-115.9116.4169.6-67.874.8000108.1K110 W132H102-K110 HydrophobicContact CB-CB 4.28Å; H102-K110 PolarHBondContact N-O 2.99Å; H102-K110 PolarHBondContact O-N 3.24Å; H102-W132 AromaticContact CE1-CH2 3.09Å; H102-W132 WeakPolarHBondContact CE1-CH2 3.4Å; H102-W132 AromaticContact CE1-CZ2 3.95Å; H102-W132 AromaticContact CE1-CZ3 3.35Å; H102-W132 WeakPolarHBondContact CE1-CZ3 3.49Å; H102-W132 AromaticContact ND1-CE3 3.83Å; H102-W132 AromaticContact ND1-CH2 3.36Å; H102-W132 WeakPolarHBondContact ND1-CH2 3.4Å; H102-W132 AromaticContact ND1-CZ3 3.16Å; H102-W132 WeakPolarHBondContact ND1-CZ3 3.32Å; H102-W132 AromaticContact NE2-CH2 3.93Å
103E87.5Confident90.9Very high149 Ų14962.2 Ų62.270%0.69631%0.312SS*.EExtended strand (participates in β ladder)trans-100.7123.4173.6-171.8169.8-16700108.4I109E103-I109 HydrophobicContact CG-CG1 4.41Å
104K82.9Confident91Very high109 Ų10961.9 Ų61.947%0.47431%0.305SS..  trans-88.9156.2173.2-75.4-174.7174-172.20110.1N106 G107 D108K104-N106 WeakPolarHBondContact CB-OD1 3.35Å; K104-N106 PolarHBondContact O-N 2.94Å; K104-G107 PolarHBondContact O-N 3.35Å; K104-D108 HydrophobicContact CB-CB 4.27Å; K104-D108 HydrophobicContact CD-CB 4.29Å; K104-D108 PolarHBondContact N-O 3.37Å
105Q77.4Confident91.1Very high209 Ų20960.7 Ų60.798%0.97730%0.299SS*.THydrogen-bonded Turntrans-59.8-19.7178.5-66.8-177.7-7.700114.3G107Q105-G107 VanDerWaalsContact C-N 3.27Å
106N78.3Confident91.1Very high106 Ų10662 Ų6257%0.56731%0.305SS*.THydrogen-bonded Turntrans-84.43.3175.267.1-17.2000113.5K104 D108K104-N106 WeakPolarHBondContact CB-OD1 3.35Å; K104-N106 PolarHBondContact O-N 2.94Å; N106-D108 VanDerWaalsContact C-N 3.35Å; N106-D108 PolarHBondContact ND2-OD2 3.41Å; N106-D108 WeakPolarHBondContact OD1-CB 3.39Å; N106-D108 PolarHBondContact OD1-N 3.38Å; N106-D108 VanDerWaalsContact OD1-N 3.14Å
107G75.7Confident91.1Very high47 Ų4766.4 Ų66.449%0.48533%0.329SS..SBendtrans84.62.1-177.100000114.6K104 Q105 I109K104-G107 PolarHBondContact O-N 3.35Å; Q105-G107 VanDerWaalsContact C-N 3.27Å; G107-I109 PolarHBondContact O-N 3.43Å
108D84.3Confident91Very high81 Ų8165.2 Ų65.243%0.43333%0.328SS..  trans-73123.5174.9-72.9-23.7000110.5K104 N106K104-D108 HydrophobicContact CB-CB 4.27Å; K104-D108 HydrophobicContact CD-CB 4.29Å; K104-D108 PolarHBondContact N-O 3.37Å; N106-D108 VanDerWaalsContact C-N 3.35Å; N106-D108 PolarHBondContact ND2-OD2 3.41Å; N106-D108 WeakPolarHBondContact OD1-CB 3.39Å; N106-D108 PolarHBondContact OD1-N 3.38Å; N106-D108 VanDerWaalsContact OD1-N 3.14Å
109I88.5Confident90.8Very high41 Ų4170.2 Ų70.221%0.2137%0.369CS..EExtended strand (participates in β ladder)trans-105.6127.3177.5-49.4177.6000109.5I101 E103 G107 F111I101-I109 HydrophobicContact CG2-CG2 3.46Å; I101-I109 VanDerWaalsContact CG2-CG2 3.46Å; E103-I109 HydrophobicContact CG-CG1 4.41Å; G107-I109 PolarHBondContact O-N 3.43Å; I109-F111 HydrophobicContact CB-CE1 4.33Å; I109-F111 HydrophobicContact CB-CE2 4.36Å; I109-F111 HydrophobicContact CB-CZ 3.81Å; I109-F111 HydrophobicContact CG2-CD1 4.15Å; I109-F111 HydrophobicContact CG2-CE1 3.31Å; I109-F111 HydrophobicContact CG2-CE2 4.1Å; I109-F111 HydrophobicContact CG2-CZ 3.28Å
110K92.8Very high90.8Very high52 Ų5271.6 Ų71.623%0.22638%0.381CS..EExtended strand (participates in β ladder)trans-116.9133.9178.1-74.8-170.8178.6-156.40110.7I101 H102 W132 L133I101-K110 CarbonylContact C-O 3.49Å; I101-K110 WeakPolarHBondContact CA-O 3.18Å; H102-K110 HydrophobicContact CB-CB 4.28Å; H102-K110 PolarHBondContact N-O 2.99Å; H102-K110 PolarHBondContact O-N 3.24Å; K110-W132 HydrophobicContact CB-CB 3.86Å; K110-W132 HydrophobicContact CB-CD2 4.49Å; K110-W132 HydrophobicContact CB-CG 4.19Å; K110-W132 HydrophobicContact CD-CB 3.95Å; K110-W132 HydrophobicContact CD-CG 4.09Å; K110-W132 HydrophobicContact CG-CB 4.13Å; K110-L133 CarbonylContact C-O 3.59Å; K110-L133 WeakPolarHBondContact CA-O 3.48Å
111F94.3Very high90.8Very high4 Ų468.1 Ų68.12%0.01837%0.368CS..EExtended strand (participates in β ladder)trans-115.2142.9-175.8-45.3-81.9000111I77 V98 I101 I109 W132 L133 K135I77-F111 HydrophobicContact CB-CD1 4.47Å; I77-F111 HydrophobicContact CB-CE1 3.73Å; I77-F111 HydrophobicContact CB-CZ 4.2Å; I77-F111 HydrophobicContact CD1-CE1 4.16Å; I77-F111 HydrophobicContact CD1-CE2 4.33Å; I77-F111 HydrophobicContact CD1-CZ 3.9Å; I77-F111 HydrophobicContact CG1-CE1 4.38Å; I77-F111 HydrophobicContact CG1-CZ 4.37Å; I77-F111 HydrophobicContact CG2-CD1 4.27Å; I77-F111 HydrophobicContact CG2-CE1 4.02Å; V98-F111 HydrophobicContact CG1-CD1 4.41Å; I101-F111 HydrophobicContact CD1-CD1 4.1Å; I101-F111 HydrophobicContact CD1-CE1 4.1Å; I101-F111 HydrophobicContact CG1-CD1 3.91Å; I101-F111 HydrophobicContact CG1-CE1 4.31Å; I101-F111 HydrophobicContact CG2-CD1 4.43Å; I101-F111 HydrophobicContact CG2-CE1 4.31Å; I109-F111 HydrophobicContact CB-CE1 4.33Å; I109-F111 HydrophobicContact CB-CE2 4.36Å; I109-F111 HydrophobicContact CB-CZ 3.81Å; I109-F111 HydrophobicContact CG2-CD1 4.15Å; I109-F111 HydrophobicContact CG2-CE1 3.31Å; I109-F111 HydrophobicContact CG2-CE2 4.1Å; I109-F111 HydrophobicContact CG2-CZ 3.28Å; F111-W132 WeakPolarHBondContact O-CA 3.48Å; F111-L133 HydrophobicContact CB-CB 4.3Å; F111-L133 WeakPolarHBondContact CD2-O 3.39Å; F111-L133 PolarHBondContact N-O 3.05Å; F111-L133 PolarHBondContact O-N 3.32Å; F111-K135 HydrophobicContact CE2-CB 4.35Å
112L96Very high90.8Very high3 Ų366 Ų662%0.01636%0.357CS..EExtended strand (participates in β ladder)trans-114.6125.1163.4176.963.3000107.8L99 K100 D121 R123 Y126 W132L99-L112 WeakPolarHBondContact CA-O 3.49Å; L99-L112 WeakPolarHBondContact CB-O 3.29Å; L99-L112 HydrophobicContact CD2-CD2 4.09Å; L99-L112 HydrophobicContact CD2-CG 4.48Å; L99-L112 PolarHBondContact N-O 3.08Å; K100-L112 HydrophobicContact CB-CB 4.28Å; K100-L112 PolarHBondContact N-O 2.82Å; K100-L112 PolarHBondContact O-N 3.4Å; L112-D121 HydrophobicContact CD1-CB 3.98Å; L112-D121 HydrophobicContact CD2-CB 4.35Å; L112-D121 HydrophobicContact CG-CB 4.31Å; L112-R123 HydrophobicContact CD1-CG 3.65Å; L112-Y126 HydrophobicContact CD1-CE2 4.36Å; L112-W132 HydrophobicContact CB-CE3 3.84Å; L112-W132 HydrophobicContact CB-CZ3 3.52Å; L112-W132 HydrophobicContact CD2-CZ3 4.29Å; L112-W132 HydrophobicContact CG-CZ3 4.45Å
113T97.1Very high90.9Very high0 Ų066.5 Ų66.50%036%0.355CS..EExtended strand (participates in β ladder)trans-108.6161.3177.957.30000111.1V83 F85 R97 V98 D122 Y126 L133V83-T113 HydrophobicContact CG2-CG2 3.58Å; F85-T113 HydrophobicContact CD1-CG2 4.44Å; F85-T113 HydrophobicContact CE1-CG2 4.18Å; F85-T113 WeakPolarHBondContact CE1-OG1 3.15Å; R97-T113 CarbonylContact O-C 3.43Å; R97-T113 WeakPolarHBondContact O-CA 3.42Å; V98-T113 HydrophobicContact CG2-CG2 4.35Å; T113-D122 WeakPolarHBondContact CB-OD2 3.39Å; T113-D122 WeakPolarHBondContact O-CB 3.48Å; T113-D122 VanDerWaalsContact O-CG 3.29Å; T113-D122 PolarHBondContact O-N 2.9Å; T113-D122 PolarHBondContact OG1-OD2 2.94Å; T113-Y126 PolarHBondContact N-OH 3.29Å; T113-Y126 VanDerWaalsContact N-OH 3.07Å; T113-Y126 PolarHBondContact OG1-OH 3.06Å; T113-Y126 VanDerWaalsContact OG1-OH 3.13Å; T113-L133 HydrophobicContact CG2-CD1 3.86Å
114K97.2Very high91Very high49 Ų4963 Ų6321%0.21336%0.359CS..EExtended strand (participates in β ladder)trans-152.1137173.8170.4176.3179.9-59.60109.3R97 L99 D116 N118 D122R97-K114 PolarHBondContact N-O 2.99Å; R97-K114 PolarHBondContact O-N 2.85Å; L99-K114 HydrophobicContact CB-CB 4.47Å; L99-K114 HydrophobicContact CD2-CB 4.43Å; K114-D116 PolarHBondContact NZ-O 3.33Å; K114-N118 WeakPolarHBondContact CE-O 3.19Å; K114-N118 PolarHBondContact NZ-O 3.06Å; K114-D122 WeakPolarHBondContact CA-OD2 3.44Å; K114-D122 PolarHBondContact N-OD2 3.22Å
115G97.2Very high91.3Very high0 Ų060.4 Ų60.40%035%0.35CS..  trans-66.2135.3166.200000111.4S56 H96 N117 N118S56-G115 CarbonylContact O-C 3.21Å; S56-G115 WeakPolarHBondContact O-CA 3.44Å; H96-G115 WeakPolarHBondContact CD2-CA 3.41Å; G115-N117 PolarHBondContact O-N 3.42Å; G115-N118 WeakPolarHBondContact O-CB 3.44Å; G115-N118 PolarHBondContact O-N 3.25Å
116D96.6Very high92Very high43 Ų4351.2 Ų51.223%0.2331%0.307CS..THydrogen-bonded Turntrans-55.2-39.3-176.7-70.7-17.8000112S56 M57 A60 R97 K114S56-D116 PolarHBondContact O-N 3.34Å; M57-D116 WeakPolarHBondContact CE-OD2 3.49Å; M57-D116 HydrophobicContact SD-CB 4.44Å; A60-D116 WeakPolarHBondContact CB-OD2 3.16Å; R97-D116 WeakPolarHBondContact CB-OD1 3.29Å; R97-D116 IonicContact CZ-OD1 2.73Å; R97-D116 IonicContact CZ-OD2 3.09Å; R97-D116 IonicContact NE-OD1 2.69Å; R97-D116 PolarHBondContact NE-OD1 3.38Å; R97-D116 IonicContact NE-OD2 3.72Å; R97-D116 PolarHBondContact NE-OD2 3.3Å; R97-D116 IonicContact NH2-OD1 3.73Å; R97-D116 IonicContact NH2-OD2 2.85Å; R97-D116 PolarHBondContact NH2-OD2 3.49Å; K114-D116 PolarHBondContact NZ-O 3.33Å
117N96.6Very high92.5Very high96 Ų9650.9 Ų50.951%0.51330%0.3SS..THydrogen-bonded Turntrans-90.70.8179.3-157.917.3000114.3G55 S56 E58 G115G55-N117 WeakPolarHBondContact O-CB 3.34Å; G55-N117 PolarHBondContact O-ND2 3.04Å; S56-N117 PolarHBondContact O-N 2.94Å; E58-N117 HydrophobicContact CB-CB 4.3Å; E58-N117 WeakPolarHBondContact O-CB 3.48Å; E58-N117 PolarHBondContact O-N 2.78Å; G115-N117 PolarHBondContact O-N 3.42Å
118N95.7Very high92.9Very high52 Ų5258 Ų5828%0.27832%0.321SS..  trans-84.5148.3-179.8-66.7-10.5000110.9S56 K114 G115S56-N118 WeakPolarHBondContact CB-OD1 3.19Å; K114-N118 WeakPolarHBondContact CE-O 3.19Å; K114-N118 PolarHBondContact NZ-O 3.06Å; G115-N118 WeakPolarHBondContact O-CB 3.44Å; G115-N118 PolarHBondContact O-N 3.25Å
119A93.7Very high92.9Very high105 Ų10557.6 Ų57.687%0.86834%0.336SS*.SBendtrans-78.3-27.1175.700000113.2
120V95.3Very high92.9Very high107 Ų10757.7 Ų57.765%0.64834%0.336SS*.SBendtrans-121.7163.7-174.7-63.10000111.2
121D95.3Very high92.8Very high44 Ų4460.6 Ų60.624%0.23535%0.35CS..  trans-73.8168.3172.770.440.3000112.2L112 R123L112-D121 HydrophobicContact CD1-CB 3.98Å; L112-D121 HydrophobicContact CD2-CB 4.35Å; L112-D121 HydrophobicContact CG-CB 4.31Å; D121-R123 PolarHBondContact O-N 3.42Å; D121-R123 WeakPolarHBondContact OD1-CB 3.37Å; D121-R123 WeakPolarHBondContact OD1-CD 3.29Å; D121-R123 WeakPolarHBondContact OD1-CG 3.48Å; D121-R123 PolarHBondContact OD1-N 2.91Å; D121-R123 VanDerWaalsContact OD1-N 3.07Å; D121-R123 IonicContact OD2-CZ 3.47Å; D121-R123 IonicContact OD2-NE 3.43Å; D121-R123 IonicContact OD2-NH1 2.7Å; D121-R123 PolarHBondContact OD2-NH1 3.11Å
122D94.6Very high92.7Very high2 Ų263.2 Ų63.21%0.01136%0.36CS..G310 helixtrans-80.97.4-172.4-62.4-33.1000114.4H96 T113 K114 G124 L125 Y126H96-D122 WeakPolarHBondContact CB-OD2 3.32Å; H96-D122 IonicContact CE1-OD1 2.7Å; H96-D122 PolarHBondContact CE1-OD1 3.19Å; H96-D122 IonicContact CE1-OD2 3.16Å; H96-D122 IonicContact CG-OD2 3.4Å; H96-D122 IonicContact ND1-OD1 2.69Å; H96-D122 PolarHBondContact ND1-OD1 3.23Å; H96-D122 IonicContact ND1-OD2 2.93Å; H96-D122 PolarHBondContact ND1-OD2 3.4Å; T113-D122 WeakPolarHBondContact CB-OD2 3.39Å; T113-D122 WeakPolarHBondContact O-CB 3.48Å; T113-D122 VanDerWaalsContact O-CG 3.29Å; T113-D122 PolarHBondContact O-N 2.9Å; T113-D122 PolarHBondContact OG1-OD2 2.94Å; K114-D122 WeakPolarHBondContact CA-OD2 3.44Å; K114-D122 PolarHBondContact N-OD2 3.22Å; D122-G124 PolarHBondContact O-N 3.23Å; D122-G124 VanDerWaalsContact O-N 3.14Å; D122-L125 HydrophobicContact CB-CD1 4.21Å; D122-L125 WeakPolarHBondContact O-CA 3.24Å; D122-L125 WeakPolarHBondContact O-CB 3.49Å; D122-L125 PolarHBondContact O-N 2.96Å; D122-Y126 HydrophobicContact CB-CD1 4.4Å; D122-Y126 HydrophobicContact CB-CE1 3.57Å; D122-Y126 VanDerWaalsContact O-CD1 3.25Å; D122-Y126 WeakPolarHBondContact O-CD1 3.35Å; D122-Y126 WeakPolarHBondContact O-CE1 3.29Å; D122-Y126 PolarHBondContact O-N 2.89Å
123R92.9Very high92.6Very high97 Ų9763.2 Ų63.237%0.36636%0.359SS..G310 helixtrans-58.6-31.9-178.2-71.7170.5176.3148.3-14113.1L112 D121 L125 Y126L112-R123 HydrophobicContact CD1-CG 3.65Å; D121-R123 PolarHBondContact O-N 3.42Å; D121-R123 WeakPolarHBondContact OD1-CB 3.37Å; D121-R123 WeakPolarHBondContact OD1-CD 3.29Å; D121-R123 WeakPolarHBondContact OD1-CG 3.48Å; D121-R123 PolarHBondContact OD1-N 2.91Å; D121-R123 VanDerWaalsContact OD1-N 3.07Å; D121-R123 IonicContact OD2-CZ 3.47Å; D121-R123 IonicContact OD2-NE 3.43Å; D121-R123 IonicContact OD2-NH1 2.7Å; D121-R123 PolarHBondContact OD2-NH1 3.11Å; R123-L125 PolarHBondContact O-N 3.44Å; R123-Y126 HydrophobicContact CG-CD2 4.44Å; R123-Y126 HydrophobicContact CG-CE2 4.16Å
124G89.6Confident92.4Very high75 Ų7566.5 Ų66.577%0.77338%0.375SS*.G310 helixtrans-71.4-16.4175.300000114D122D122-G124 PolarHBondContact O-N 3.23Å; D122-G124 VanDerWaalsContact O-N 3.14Å
125L89.2Confident92Very high56 Ų5668.5 Ų68.529%0.29338%0.384SS..THydrogen-bonded Turntrans-89.7-27.5178.7-59.8178.7000112.5I87 D122 R123I87-L125 HydrophobicContact CD1-CB 4.06Å; I87-L125 WeakPolarHBondContact CD1-O 3.42Å; D122-L125 HydrophobicContact CB-CD1 4.21Å; D122-L125 WeakPolarHBondContact O-CA 3.24Å; D122-L125 WeakPolarHBondContact O-CB 3.49Å; D122-L125 PolarHBondContact O-N 2.96Å; R123-L125 PolarHBondContact O-N 3.44Å
126Y91.8Very high91.6Very high15 Ų1576.1 Ų76.16%0.05942%0.417CS..SBendtrans-62.8167.5-179.3-56.8-17.8000112.3F85 I87 L112 T113 D122 R123 Q130 L133F85-Y126 HydrophobicContact CE2-CD1 4.44Å; F85-Y126 HydrophobicContact CE2-CE1 4.07Å; F85-Y126 HydrophobicContact CZ-CE1 4.26Å; I87-Y126 HydrophobicContact CD1-CD1 4.26Å; L112-Y126 HydrophobicContact CD1-CE2 4.36Å; T113-Y126 PolarHBondContact N-OH 3.29Å; T113-Y126 VanDerWaalsContact N-OH 3.07Å; T113-Y126 PolarHBondContact OG1-OH 3.06Å; T113-Y126 VanDerWaalsContact OG1-OH 3.13Å; D122-Y126 HydrophobicContact CB-CD1 4.4Å; D122-Y126 HydrophobicContact CB-CE1 3.57Å; D122-Y126 VanDerWaalsContact O-CD1 3.25Å; D122-Y126 WeakPolarHBondContact O-CD1 3.35Å; D122-Y126 WeakPolarHBondContact O-CE1 3.29Å; D122-Y126 PolarHBondContact O-N 2.89Å; R123-Y126 HydrophobicContact CG-CD2 4.44Å; R123-Y126 HydrophobicContact CG-CE2 4.16Å; Y126-Q130 WeakPolarHBondContact CB-O 3.48Å; Y126-L133 HydrophobicContact CD1-CD2 3.87Å; Y126-L133 HydrophobicContact CD1-CG 4.24Å; Y126-L133 HydrophobicContact CE1-CD1 3.78Å; Y126-L133 HydrophobicContact CE1-CD2 3.73Å; Y126-L133 HydrophobicContact CE1-CG 3.62Å; Y126-L133 HydrophobicContact CE2-CG 4.29Å; Y126-L133 HydrophobicContact CG-CD2 4.46Å
127K87.7Confident91.5Very high99 Ų9975.4 Ų75.443%0.4341%0.413SS..PPolyproline II helixtrans-57.1148.5174.1-170.9177.7-176.6176.50110.3E88 G129 Q130E88-K127 VanDerWaalsContact CD-NZ 3.34Å; E88-K127 IonicContact OE1-NZ 3.4Å; E88-K127 PolarHBondContact OE1-NZ 2.69Å; E88-K127 IonicContact OE2-NZ 3.22Å; E88-K127 PolarHBondContact OE2-NZ 3.46Å; K127-G129 PolarHBondContact O-N 3.43Å; K127-Q130 HydrophobicContact CB-CB 4.08Å; K127-Q130 WeakPolarHBondContact O-CA 3.39Å; K127-Q130 VanDerWaalsContact O-CB 3.24Å; K127-Q130 WeakPolarHBondContact O-CB 3.31Å; K127-Q130 PolarHBondContact O-N 3.39Å
128Q84.9Confident91.3Very high197 Ų19771.2 Ų71.292%0.92139%0.391SS*.THydrogen-bonded Turntrans-54.2127.7175.2-71.2-172.6-1300110.9Q130Q128-Q130 VanDerWaalsContact C-N 3.29Å; Q128-Q130 PolarHBondContact O-N 3.48Å
129G83.7Confident91.2Very high73 Ų7370.1 Ų70.175%0.75339%0.386SS*.THydrogen-bonded Turntrans81.6-3.4-175.400000115.2K127K127-G129 PolarHBondContact O-N 3.43Å
130Q88.4Confident91.2Very high43 Ų4365.1 Ų65.120%0.20134%0.344CS..  trans-94.8119.3173.8-174.5175.21.100110.1Y126 K127 Q128 W132 D137Y126-Q130 WeakPolarHBondContact CB-O 3.48Å; K127-Q130 HydrophobicContact CB-CB 4.08Å; K127-Q130 WeakPolarHBondContact O-CA 3.39Å; K127-Q130 VanDerWaalsContact O-CB 3.24Å; K127-Q130 WeakPolarHBondContact O-CB 3.31Å; K127-Q130 PolarHBondContact O-N 3.39Å; Q128-Q130 VanDerWaalsContact C-N 3.29Å; Q128-Q130 PolarHBondContact O-N 3.48Å; Q130-W132 WeakPolarHBondContact CG-O 3.41Å; Q130-W132 PolarHBondContact NE2-O 3Å; Q130-D137 PolarHBondContact NE2-OD2 2.88Å
131H90.8Very high91.2Very high112 Ų11260.1 Ų60.152%0.51931%0.314SS..  trans-107.8-7.3177.8-63.7-59.9000114
132W93Very high91.2Very high60 Ų6059 Ų5923%0.22731%0.311CS..SBendtrans-145.3143.5-175.5-54.193.5000109.6H102 K110 F111 L112 Q130H102-W132 AromaticContact CE1-CH2 3.09Å; H102-W132 WeakPolarHBondContact CE1-CH2 3.4Å; H102-W132 AromaticContact CE1-CZ2 3.95Å; H102-W132 AromaticContact CE1-CZ3 3.35Å; H102-W132 WeakPolarHBondContact CE1-CZ3 3.49Å; H102-W132 AromaticContact ND1-CE3 3.83Å; H102-W132 AromaticContact ND1-CH2 3.36Å; H102-W132 WeakPolarHBondContact ND1-CH2 3.4Å; H102-W132 AromaticContact ND1-CZ3 3.16Å; H102-W132 WeakPolarHBondContact ND1-CZ3 3.32Å; H102-W132 AromaticContact NE2-CH2 3.93Å; K110-W132 HydrophobicContact CB-CB 3.86Å; K110-W132 HydrophobicContact CB-CD2 4.49Å; K110-W132 HydrophobicContact CB-CG 4.19Å; K110-W132 HydrophobicContact CD-CB 3.95Å; K110-W132 HydrophobicContact CD-CG 4.09Å; K110-W132 HydrophobicContact CG-CB 4.13Å; F111-W132 WeakPolarHBondContact O-CA 3.48Å; L112-W132 HydrophobicContact CB-CE3 3.84Å; L112-W132 HydrophobicContact CB-CZ3 3.52Å; L112-W132 HydrophobicContact CD2-CZ3 4.29Å; L112-W132 HydrophobicContact CG-CZ3 4.45Å; Q130-W132 WeakPolarHBondContact CG-O 3.41Å; Q130-W132 PolarHBondContact NE2-O 3Å
133L93.3Very high91.2Very high2 Ų265.8 Ų65.81%0.0134%0.337CS..EExtended strand (participates in β ladder)trans-83.4148.6169.9-63.7170.7000109.9F85 K110 F111 T113 Y126 D137F85-L133 HydrophobicContact CB-CD1 4.19Å; F85-L133 HydrophobicContact CD1-CD1 3.81Å; F85-L133 HydrophobicContact CD2-CD1 3.48Å; F85-L133 VanDerWaalsContact CD2-CD1 3.48Å; F85-L133 HydrophobicContact CD2-CD2 3.75Å; F85-L133 HydrophobicContact CD2-CG 4.27Å; F85-L133 HydrophobicContact CE1-CD1 3.98Å; F85-L133 HydrophobicContact CE2-CD1 3.65Å; F85-L133 HydrophobicContact CE2-CD2 4.03Å; F85-L133 HydrophobicContact CE2-CG 4.45Å; F85-L133 HydrophobicContact CG-CD1 3.55Å; F85-L133 HydrophobicContact CG-CD2 4.48Å; F85-L133 HydrophobicContact CZ-CD1 3.9Å; K110-L133 CarbonylContact C-O 3.59Å; K110-L133 WeakPolarHBondContact CA-O 3.48Å; F111-L133 HydrophobicContact CB-CB 4.3Å; F111-L133 WeakPolarHBondContact CD2-O 3.39Å; F111-L133 PolarHBondContact N-O 3.05Å; F111-L133 PolarHBondContact O-N 3.32Å; T113-L133 HydrophobicContact CG2-CD1 3.86Å; Y126-L133 HydrophobicContact CD1-CD2 3.87Å; Y126-L133 HydrophobicContact CD1-CG 4.24Å; Y126-L133 HydrophobicContact CE1-CD1 3.78Å; Y126-L133 HydrophobicContact CE1-CD2 3.73Å; Y126-L133 HydrophobicContact CE1-CG 3.62Å; Y126-L133 HydrophobicContact CE2-CG 4.29Å; Y126-L133 HydrophobicContact CG-CD2 4.46Å; L133-D137 HydrophobicContact CD2-CB 4.19Å
134E92.1Very high91.3Very high70 Ų7062.5 Ų62.533%0.32733%0.333SS..EExtended strand (participates in β ladder)trans-108165.7173.8-68.9175.8-177.100110.3K136 D137E134-K136 HydrophobicContact CB-CD 4.47Å; E134-K136 HydrophobicContact CB-CG 4.17Å; E134-K136 PolarHBondContact O-N 3.4Å; E134-K136 VanDerWaalsContact O-N 3.12Å; E134-K136 WeakPolarHBondContact OE2-CE 3.45Å; E134-K136 IonicContact OE2-NZ 3.46Å; E134-K136 PolarHBondContact OE2-NZ 3.47Å; E134-D137 PolarHBondContact N-OD2 2.83Å; E134-D137 WeakPolarHBondContact O-CB 3.48Å; E134-D137 PolarHBondContact O-N 2.81Å
135K89.6Confident91.6Very high91 Ų9163.6 Ų63.640%0.39632%0.317SS..G310 helixtrans-57.1-31.1-179.6-171.2174.2-177.5173.90112.8F111 D137 V138F111-K135 HydrophobicContact CE2-CB 4.35Å; K135-D137 PolarHBondContact O-N 3.29Å; K135-V138 PolarHBondContact O-N 3.24Å
136K89.8Confident92Very high160 Ų16063.3 Ų63.370%0.69632%0.317SS*.G310 helixtrans-66.6-23.7177.775.8-167-173.6-157.40113.8E134 V138E134-K136 HydrophobicContact CB-CD 4.47Å; E134-K136 HydrophobicContact CB-CG 4.17Å; E134-K136 PolarHBondContact O-N 3.4Å; E134-K136 VanDerWaalsContact O-N 3.12Å; E134-K136 WeakPolarHBondContact OE2-CE 3.45Å; E134-K136 IonicContact OE2-NZ 3.46Å; E134-K136 PolarHBondContact OE2-NZ 3.47Å; K136-V138 VanDerWaalsContact C-N 3.31Å
137D92.8Very high92.2Very high27 Ų2765.6 Ų65.614%0.14433%0.334CS..G310 helixtrans-82.6-17.2-179.5-54.8-36.1000110.8F85 R86 Q130 L133 E134 K135F85-D137 CarbonylContact C-O 3.49Å; F85-D137 WeakPolarHBondContact CA-O 3.5Å; F85-D137 VanDerWaalsContact CB-O 3.29Å; F85-D137 WeakPolarHBondContact CB-O 3.43Å; R86-D137 PolarHBondContact N-O 3.49Å; Q130-D137 PolarHBondContact NE2-OD2 2.88Å; L133-D137 HydrophobicContact CD2-CB 4.19Å; E134-D137 PolarHBondContact N-OD2 2.83Å; E134-D137 WeakPolarHBondContact O-CB 3.48Å; E134-D137 PolarHBondContact O-N 2.81Å; K135-D137 PolarHBondContact O-N 3.29Å
138V93.4Very high92.4Very high9 Ų967.5 Ų67.56%0.05534%0.339CS..EExtended strand (participates in β ladder)trans-85.9117.3-177.4-178.10000110.6N71 I77 V83 K135 K136N71-V138 PolarHBondContact ND2-O 2.98Å; I77-V138 HydrophobicContact CD1-CB 4.28Å; I77-V138 HydrophobicContact CD1-CG1 3.91Å; I77-V138 HydrophobicContact CD1-CG2 4Å; V83-V138 HydrophobicContact CB-CG1 4.35Å; V83-V138 HydrophobicContact CG1-CG1 4.4Å; K135-V138 PolarHBondContact O-N 3.24Å; K136-V138 VanDerWaalsContact C-N 3.31Å
139V93.6Very high92.9Very high28 Ų2862.5 Ų62.517%0.1732%0.318CS..EExtended strand (participates in β ladder)trans-77.5-37.4175.6-178.80000110.8S45 N71 V84 R86S45-V139 PolarHBondContact OG-O 3.27Å; N71-V139 WeakPolarHBondContact CB-O 3.27Å; N71-V139 PolarHBondContact ND2-O 2.96Å; V84-V139 HydrophobicContact CG1-CB 4.46Å; V84-V139 WeakPolarHBondContact O-CB 3.28Å; V84-V139 PolarHBondContact O-N 3.48Å; R86-V139 HydrophobicContact CB-CG2 4.3Å
140G94.4Very high93.4Very high0 Ų059 Ų590%028%0.282CS..EExtended strand (participates in β ladder)trans173177.6175.400000113.7T70 V84T70-G140 WeakPolarHBondContact O-CA 3.46Å; V84-G140 PolarHBondContact N-O 2.98Å; V84-G140 PolarHBondContact O-N 3.42Å
141R94.9Very high93.6Very high2 Ų260.9 Ų60.91%0.00829%0.293CS..EExtended strand (participates in β ladder)trans-110135.7178.5-68.9179.6-72.7162.13.3110.8L69 T70 D75 I77 E81 I82 V83 R143L69-R141 CarbonylContact C-O 3.58Å; L69-R141 VanDerWaalsContact CA-O 3.25Å; L69-R141 WeakPolarHBondContact CA-O 3.42Å; T70-R141 PolarHBondContact N-O 3.33Å; T70-R141 PolarHBondContact O-N 2.8Å; D75-R141 VanDerWaalsContact CB-NH2 3.34Å; D75-R141 VanDerWaalsContact CG-NH2 3.25Å; D75-R141 PolarHBondContact O-NH2 2.91Å; D75-R141 IonicContact OD1-NH1 3.78Å; D75-R141 IonicContact OD2-CZ 3.63Å; D75-R141 VanDerWaalsContact OD2-CZ 3.22Å; D75-R141 IonicContact OD2-NH1 2.84Å; D75-R141 PolarHBondContact OD2-NH1 2.86Å; D75-R141 IonicContact OD2-NH2 3.62Å; D75-R141 PolarHBondContact OD2-NH2 3.34Å; I77-R141 HydrophobicContact CG1-CG 4.45Å; E81-R141 IonicContact OE1-NH1 3.55Å; E81-R141 PolarHBondContact OE1-NH1 3.31Å; E81-R141 VanDerWaalsContact OE1-NH1 3.09Å; E81-R141 WeakPolarHBondContact OE2-CD 3.46Å; E81-R141 IonicContact OE2-NH1 2.77Å; E81-R141 PolarHBondContact OE2-NH1 3.49Å; I82-R141 WeakPolarHBondContact O-CA 3.25Å; V83-R141 HydrophobicContact CG1-CG 3.98Å; R141-R143 PolarHBondContact O-N 3.45Å
142A95.5Very high93.7Very high22 Ų2259.8 Ų59.818%0.18229%0.294CS..EExtended strand (participates in β ladder)trans-69.2124174.800000110.5F61 L67 F68 L69 I82F61-A142 HydrophobicContact CE2-CB 4.43Å; F61-A142 HydrophobicContact CZ-CB 4.4Å; L67-A142 HydrophobicContact CD1-CB 4.36Å; F68-A142 WeakPolarHBondContact O-CA 3.44Å; L69-A142 HydrophobicContact CD2-CB 4.12Å; I82-A142 HydrophobicContact CB-CB 4.29Å; I82-A142 HydrophobicContact CG2-CB 4.38Å; I82-A142 PolarHBondContact O-N 2.98Å
143R94.1Very high93.6Very high143 Ų14360.3 Ų60.354%0.5430%0.304SS..EExtended strand (participates in β ladder)trans-111.5-21177.9-70.2-61.3-166.8136.27.1114.1F68 T70 D75 R141F68-R143 PolarHBondContact O-N 2.88Å; T70-R143 HydrophobicContact CG2-CB 4.49Å; T70-R143 HydrophobicContact CG2-CG 3.76Å; T70-R143 WeakPolarHBondContact OG1-CG 3.02Å; T70-R143 PolarHBondContact OG1-NE 3.02Å; D75-R143 IonicContact OD2-CZ 3.4Å; D75-R143 IonicContact OD2-NH2 3.63Å; D75-R143 PolarHBondContact OD2-NH2 3.33Å; R141-R143 PolarHBondContact O-N 3.45Å
144G95.1Very high93.5Very high28 Ų2861 Ų6129%0.28931%0.307SS..EExtended strand (participates in β ladder)trans-164.9166.7178.600000109F68F68-G144 PolarHBondContact N-O 2.91Å
145F96.5Very high93.5Very high98 Ų9860.9 Ų60.943%0.4331%0.308SS..EExtended strand (participates in β ladder)trans-149.3160.4176.972.4-75.4000111.3F61 D65 L66 L67 P147F61-F145 HydrophobicContact CD1-CD1 4.28Å; F61-F145 HydrophobicContact CD1-CD2 4.22Å; F61-F145 HydrophobicContact CD1-CE2 4.45Å; F61-F145 HydrophobicContact CD1-CG 4.12Å; F61-F145 HydrophobicContact CE1-CB 4.08Å; F61-F145 AromaticContact CE1-CD1 3.54Å; F61-F145 HydrophobicContact CE1-CD1 3.54Å; F61-F145 HydrophobicContact CE1-CD2 4.25Å; F61-F145 AromaticContact CE1-CE1 3.93Å; F61-F145 HydrophobicContact CE1-CE1 3.93Å; F61-F145 AromaticContact CE1-CG 3.71Å; F61-F145 HydrophobicContact CE1-CG 3.71Å; F61-F145 HydrophobicContact CE1-CZ 4.44Å; F61-F145 HydrophobicContact CZ-CD1 4.49Å; D65-F145 HydrophobicContact CB-CD2 4.24Å; L66-F145 CarbonylContact O-C 3.27Å; L66-F145 WeakPolarHBondContact O-CA 3.41Å; L66-F145 WeakPolarHBondContact O-CB 3.44Å; L67-F145 HydrophobicContact CD2-CB 3.5Å; L67-F145 HydrophobicContact CD2-CG 4.43Å; F145-P147 HydrophobicContact CE2-CB 4.26Å
146V96.8Very high93.5Very high50 Ų5059 Ų5930%0.30330%0.302SS..EExtended strand (participates in β ladder)trans-120.9122.3166.8-1620000108.3L66 F68 I149L66-V146 PolarHBondContact N-O 2.89Å; L66-V146 PolarHBondContact O-N 3.22Å; F68-V146 HydrophobicContact CE2-CG2 3.65Å; F68-V146 HydrophobicContact CZ-CG2 4.11Å; V146-I149 HydrophobicContact CB-CD1 3.83Å; V146-I149 HydrophobicContact CB-CG1 4.29Å; V146-I149 HydrophobicContact CG1-CD1 3.28Å; V146-I149 HydrophobicContact CG1-CG1 3.82Å; V146-I149 HydrophobicContact CG2-CD1 4.49Å
147P95.9Very high93.5Very high64 Ų6457.4 Ų57.442%0.41630%0.301SS..SBendtrans-69145.8-174.327.8-34.5000111.7D65 F145 I149D65-P147 WeakPolarHBondContact OD1-CA 3.35Å; F145-P147 HydrophobicContact CE2-CB 4.26Å; P147-I149 PolarHBondContact O-N 3.46Å
148Y92.4Very high93.4Very high138 Ų13860.1 Ų60.154%0.54132%0.315SS..SBendtrans60.8-11.6170.7-50.7-61.5000118.6G64 D65 G150 I151G64-Y148 CarbonylContact O-C 3.59Å; G64-Y148 VanDerWaalsContact O-C 3.27Å; G64-Y148 WeakPolarHBondContact O-CA 3.27Å; G64-Y148 PolarHBondContact O-N 3.31Å; D65-Y148 PolarHBondContact OD1-N 3.19Å; Y148-G150 PolarHBondContact O-N 2.99Å; Y148-I151 HydrophobicContact CD1-CD1 3.89Å; Y148-I151 HydrophobicContact CG-CD1 4.36Å; Y148-I151 VanDerWaalsContact O-CB 3.25Å; Y148-I151 WeakPolarHBondContact O-CB 3.34Å; Y148-I151 VanDerWaalsContact O-CG1 3.26Å; Y148-I151 WeakPolarHBondContact O-CG1 3.45Å; Y148-I151 PolarHBondContact O-N 3.38Å
149I94.3Very high93.3Very high93 Ų9366.6 Ų66.648%0.47734%0.34SS..THydrogen-bonded Turntrans-59.7-36.8179.3-68.9-170000111.8G64 L66 V146 P147 I151 V152G64-I149 PolarHBondContact O-N 2.97Å; L66-I149 HydrophobicContact CB-CB 4.45Å; L66-I149 HydrophobicContact CD2-CG2 4.23Å; V146-I149 HydrophobicContact CB-CD1 3.83Å; V146-I149 HydrophobicContact CB-CG1 4.29Å; V146-I149 HydrophobicContact CG1-CD1 3.28Å; V146-I149 HydrophobicContact CG1-CG1 3.82Å; V146-I149 HydrophobicContact CG2-CD1 4.49Å; P147-I149 PolarHBondContact O-N 3.46Å; I149-I151 PolarHBondContact O-N 2.99Å; I149-I151 VanDerWaalsContact O-N 3.16Å; I149-V152 PolarHBondContact O-N 3.35Å
150G93.8Very high93.2Very high0 Ų068.6 Ų68.60%035%0.353CS..Hα-helixtrans-63-17.5177.700000113.8G64 Y148 V152 T153 I154G64-G150 WeakPolarHBondContact O-CA 3.42Å; G64-G150 PolarHBondContact O-N 3.26Å; Y148-G150 PolarHBondContact O-N 2.99Å; G150-V152 PolarHBondContact O-N 3.46Å; G150-T153 PolarHBondContact O-N 3.33Å; G150-T153 PolarHBondContact O-OG1 3.5Å; G150-I154 WeakPolarHBondContact O-CG1 3.37Å; G150-I154 PolarHBondContact O-N 2.9Å
151I94.4Very high93.1Very high82 Ų8277.6 Ų77.642%0.42139%0.392SS..Hα-helixtrans-56.6-37175.3-64.4179000111Y148 I149 T153 I154 L155Y148-I151 HydrophobicContact CD1-CD1 3.89Å; Y148-I151 HydrophobicContact CG-CD1 4.36Å; Y148-I151 VanDerWaalsContact O-CB 3.25Å; Y148-I151 WeakPolarHBondContact O-CB 3.34Å; Y148-I151 VanDerWaalsContact O-CG1 3.26Å; Y148-I151 WeakPolarHBondContact O-CG1 3.45Å; Y148-I151 PolarHBondContact O-N 3.38Å; I149-I151 PolarHBondContact O-N 2.99Å; I149-I151 VanDerWaalsContact O-N 3.16Å; I151-T153 VanDerWaalsContact C-N 3.31Å; I151-T153 PolarHBondContact O-N 3.26Å; I151-I154 PolarHBondContact O-N 3.4Å; I151-L155 WeakPolarHBondContact O-CB 3.49Å; I151-L155 PolarHBondContact O-N 3.01Å
152V91.8Very high92.9Very high89 Ų8981.6 Ų81.654%0.53941%0.41SS..Hα-helixtrans-60.2-45177.5179.90000110.6I149 G150 L155 M156I149-V152 PolarHBondContact O-N 3.35Å; G150-V152 PolarHBondContact O-N 3.46Å; V152-L155 PolarHBondContact O-N 2.85Å; V152-M156 HydrophobicContact CG1-SD 4.21Å; V152-M156 VanDerWaalsContact O-CG 3.29Å; V152-M156 WeakPolarHBondContact O-CG 3.47Å; V152-M156 PolarHBondContact O-N 3.48Å
153T90.4Very high92.5Very high71 Ų7185 Ų8544%0.43642%0.421SS..Hα-helixtrans-67.7-38.6179670000112.2G150 I151 M156 N157G150-T153 PolarHBondContact O-N 3.33Å; G150-T153 PolarHBondContact O-OG1 3.5Å; I151-T153 VanDerWaalsContact C-N 3.31Å; I151-T153 PolarHBondContact O-N 3.26Å; T153-M156 PolarHBondContact O-N 3.47Å; T153-N157 WeakPolarHBondContact O-CB 3.13Å; T153-N157 PolarHBondContact O-N 3.02Å
154I91.8Very high92.4Very high15 Ų1585.5 Ų85.58%0.07742%0.424CS..Hα-helixtrans-62.3-48.5175-66.3170.8000109.6V51 L53 R63 G150 I151 M156 N157 D158V51-I154 HydrophobicContact CG1-CD1 3.92Å; V51-I154 HydrophobicContact CG1-CG1 4.06Å; L53-I154 HydrophobicContact CD2-CD1 4.18Å; L53-I154 HydrophobicContact CD2-CG1 3.91Å; R63-I154 HydrophobicContact CG-CD1 4.02Å; G150-I154 WeakPolarHBondContact O-CG1 3.37Å; G150-I154 PolarHBondContact O-N 2.9Å; I151-I154 PolarHBondContact O-N 3.4Å; I154-M156 VanDerWaalsContact C-N 3.33Å; I154-M156 PolarHBondContact O-N 2.86Å; I154-N157 PolarHBondContact O-N 3.02Å; I154-N157 VanDerWaalsContact O-N 3.08Å; I154-D158 WeakPolarHBondContact CG2-OD2 3.38Å; I154-D158 WeakPolarHBondContact O-CB 3.47Å; I154-D158 VanDerWaalsContact O-CG 3.28Å; I154-D158 PolarHBondContact O-N 3.23Å
155L91.9Very high92.3Very high69 Ų6986.4 Ų86.436%0.36143%0.428SS..Hα-helixtrans-61.4-40.9179.6-170.674.1000112.1I151 V152 N157 Y159 F162I151-L155 WeakPolarHBondContact O-CB 3.49Å; I151-L155 PolarHBondContact O-N 3.01Å; V152-L155 PolarHBondContact O-N 2.85Å; L155-N157 VanDerWaalsContact C-N 3.29Å; L155-N157 PolarHBondContact O-N 3.49Å; L155-Y159 HydrophobicContact CD1-CD2 3.52Å; L155-Y159 HydrophobicContact CD1-CE2 3.66Å; L155-Y159 HydrophobicContact CG-CD2 4.22Å; L155-Y159 PolarHBondContact O-N 3.46Å; L155-F162 HydrophobicContact CD2-CD1 4Å; L155-F162 HydrophobicContact CD2-CE1 3.68Å; L155-F162 HydrophobicContact CD2-CZ 4.02Å; L155-F162 HydrophobicContact CG-CD1 4.12Å; L155-F162 HydrophobicContact CG-CE1 4.24Å
156M90.1Very high92Very high51 Ų5183.3 Ų83.325%0.25142%0.417SS..Hα-helixtrans-64.9-32.1175.5-73177.272.100112.9V152 T153 I154 F162 K163V152-M156 HydrophobicContact CG1-SD 4.21Å; V152-M156 VanDerWaalsContact O-CG 3.29Å; V152-M156 WeakPolarHBondContact O-CG 3.47Å; V152-M156 PolarHBondContact O-N 3.48Å; T153-M156 PolarHBondContact O-N 3.47Å; I154-M156 VanDerWaalsContact C-N 3.33Å; I154-M156 PolarHBondContact O-N 2.86Å; M156-F162 HydrophobicContact CG-CD1 4.17Å; M156-F162 HydrophobicContact CG-CE1 4.18Å; M156-K163 HydrophobicContact CB-CB 4.32Å; M156-K163 HydrophobicContact CE-CB 4.47Å; M156-K163 HydrophobicContact CE-CG 4.03Å; M156-K163 WeakPolarHBondContact O-CB 3.34Å
157N89.3Confident91.7Very high126 Ų12685.3 Ų85.367%0.67443%0.426SS*.Hα-helixtrans-78.7-44.3177.3-17167.4000111.9T153 I154 L155T153-N157 WeakPolarHBondContact O-CB 3.13Å; T153-N157 PolarHBondContact O-N 3.02Å; I154-N157 PolarHBondContact O-N 3.02Å; I154-N157 VanDerWaalsContact O-N 3.08Å; L155-N157 VanDerWaalsContact C-N 3.29Å; L155-N157 PolarHBondContact O-N 3.49Å
158D90.4Very high91.4Very high84 Ų8489 Ų8945%0.44944%0.435SS..Hα-helixtrans-69.8-32.7-178-69-1.9000111.8R63 I154 P160R63-D158 IonicContact NH2-OD2 2.57Å; R63-D158 PolarHBondContact NH2-OD2 3.42Å; I154-D158 WeakPolarHBondContact CG2-OD2 3.38Å; I154-D158 WeakPolarHBondContact O-CB 3.47Å; I154-D158 VanDerWaalsContact O-CG 3.28Å; I154-D158 PolarHBondContact O-N 3.23Å; D158-P160 WeakPolarHBondContact O-CD 3.31Å
159Y92.7Very high91.3Very high145 Ų14588.1 Ų88.157%0.56944%0.438SS*.  trans-120.385.9178.8-59.9-86.7000111.7L155 K161 F162 K163L155-Y159 HydrophobicContact CD1-CD2 3.52Å; L155-Y159 HydrophobicContact CD1-CE2 3.66Å; L155-Y159 HydrophobicContact CG-CD2 4.22Å; L155-Y159 PolarHBondContact O-N 3.46Å; Y159-K161 PolarHBondContact O-N 2.95Å; Y159-K161 VanDerWaalsContact O-N 3.11Å; Y159-F162 WeakPolarHBondContact O-CA 3.34Å; Y159-F162 VanDerWaalsContact O-CB 3.32Å; Y159-F162 WeakPolarHBondContact O-CB 3.01Å; Y159-F162 PolarHBondContact O-N 3.47Å; Y159-K163 PolarHBondContact O-N 3.22Å
160P91Very high91Very high71 Ų7188.3 Ų88.346%0.46144%0.439SS..Hα-helixtrans-55.6-34.2179.8-2834.5000113.9D158 F162 K163 Y164D158-P160 WeakPolarHBondContact O-CD 3.31Å; P160-F162 VanDerWaalsContact C-N 3.31Å; P160-F162 PolarHBondContact O-N 3.3Å; P160-K163 WeakPolarHBondContact O-CB 3.42Å; P160-K163 PolarHBondContact O-N 2.88Å; P160-Y164 HydrophobicContact CB-CE2 4.18Å; P160-Y164 WeakPolarHBondContact O-CD2 3.18Å; P160-Y164 PolarHBondContact O-N 3.33Å
161K92.4Very high90.5Very high188 Ų18889.9 Ų89.982%0.81746%0.456SS*.Hα-helixtrans-60.5-39.9175.2-66.2-176.5-178.3178.90112.2Y159 Y164 A165Y159-K161 PolarHBondContact O-N 2.95Å; Y159-K161 VanDerWaalsContact O-N 3.11Å; K161-Y164 PolarHBondContact O-N 3.02Å; K161-A165 WeakPolarHBondContact O-CB 3.35Å; K161-A165 PolarHBondContact O-N 2.9Å
162F90Very high90Very high87 Ų8789.2 Ų89.238%0.38245%0.453SS..Hα-helixtrans-65.2-44.4176.1179-105.4000110.8L155 M156 Y159 P160 Y164 A165 V166L155-F162 HydrophobicContact CD2-CD1 4Å; L155-F162 HydrophobicContact CD2-CE1 3.68Å; L155-F162 HydrophobicContact CD2-CZ 4.02Å; L155-F162 HydrophobicContact CG-CD1 4.12Å; L155-F162 HydrophobicContact CG-CE1 4.24Å; M156-F162 HydrophobicContact CG-CD1 4.17Å; M156-F162 HydrophobicContact CG-CE1 4.18Å; Y159-F162 WeakPolarHBondContact O-CA 3.34Å; Y159-F162 VanDerWaalsContact O-CB 3.32Å; Y159-F162 WeakPolarHBondContact O-CB 3.01Å; Y159-F162 PolarHBondContact O-N 3.47Å; P160-F162 VanDerWaalsContact C-N 3.31Å; P160-F162 PolarHBondContact O-N 3.3Å; F162-Y164 PolarHBondContact O-N 3.03Å; F162-A165 PolarHBondContact O-N 2.86Å; F162-V166 HydrophobicContact CD1-CG2 4.33Å; F162-V166 HydrophobicContact CD2-CG2 4.5Å; F162-V166 HydrophobicContact CE1-CG2 3.91Å; F162-V166 HydrophobicContact CE2-CG2 4.1Å; F162-V166 HydrophobicContact CZ-CG2 3.78Å; F162-V166 WeakPolarHBondContact O-CG2 3.36Å; F162-V166 PolarHBondContact O-N 3.36Å
163K88.4Confident89.6Confident92 Ų9290.5 Ų90.540%0.445%0.451SS..Hα-helixtrans-55.3-47.9173.5175.1-179179.1179.70112.2M156 Y159 P160 V166 L167M156-K163 HydrophobicContact CB-CB 4.32Å; M156-K163 HydrophobicContact CE-CB 4.47Å; M156-K163 HydrophobicContact CE-CG 4.03Å; M156-K163 WeakPolarHBondContact O-CB 3.34Å; Y159-K163 PolarHBondContact O-N 3.22Å; P160-K163 WeakPolarHBondContact O-CB 3.42Å; P160-K163 PolarHBondContact O-N 2.88Å; K163-V166 PolarHBondContact O-N 2.98Å; K163-L167 HydrophobicContact CG-CD1 4.22Å; K163-L167 WeakPolarHBondContact O-CG 3.32Å; K163-L167 PolarHBondContact O-N 2.92Å
164Y91.9Very high89Confident155 Ų15591.6 Ų91.661%0.60846%0.458SS*.Hα-helixtrans-66.2-36.9178.3-64.3-54.4000112.7P160 K161 F162 L167 F168P160-Y164 HydrophobicContact CB-CE2 4.18Å; P160-Y164 WeakPolarHBondContact O-CD2 3.18Å; P160-Y164 PolarHBondContact O-N 3.33Å; K161-Y164 PolarHBondContact O-N 3.02Å; F162-Y164 PolarHBondContact O-N 3.03Å; Y164-L167 PolarHBondContact O-N 3.36Å; Y164-F168 VanDerWaalsContact O-CB 3.27Å; Y164-F168 WeakPolarHBondContact O-CB 3.47Å; Y164-F168 PolarHBondContact O-N 3.28Å
165A92.9Very high87.8Confident46 Ų4694.9 Ų94.938%0.3848%0.475SS..Hα-helixtrans-62.9-44174.800000112K161 F162 F168 M169K161-A165 WeakPolarHBondContact O-CB 3.35Å; K161-A165 PolarHBondContact O-N 2.9Å; F162-A165 PolarHBondContact O-N 2.86Å; A165-F168 PolarHBondContact O-N 3.4Å; A165-M169 WeakPolarHBondContact O-CG 3.49Å; A165-M169 PolarHBondContact O-N 3.1Å
166V89.8Confident87Confident34 Ų3496.6 Ų96.621%0.20649%0.488CS..Hα-helixtrans-62.8-46.5176.3172.40000111.2F162 K163 F168 M169 L170F162-V166 HydrophobicContact CD1-CG2 4.33Å; F162-V166 HydrophobicContact CD2-CG2 4.5Å; F162-V166 HydrophobicContact CE1-CG2 3.91Å; F162-V166 HydrophobicContact CE2-CG2 4.1Å; F162-V166 HydrophobicContact CZ-CG2 3.78Å; F162-V166 WeakPolarHBondContact O-CG2 3.36Å; F162-V166 PolarHBondContact O-N 3.36Å; K163-V166 PolarHBondContact O-N 2.98Å; V166-F168 VanDerWaalsContact C-N 3.31Å; V166-F168 PolarHBondContact O-N 3.33Å; V166-M169 PolarHBondContact O-N 3.22Å; V166-L170 HydrophobicContact CG1-CD1 4.01Å; V166-L170 WeakPolarHBondContact O-CB 3.39Å; V166-L170 WeakPolarHBondContact O-CG 3.47Å; V166-L170 PolarHBondContact O-N 3.46Å
167L89.4Confident86Confident92 Ų92100.3 Ų100.348%0.48251%0.505SS..Hα-helixtrans-62.5-39.1177.1-70.6174.6000112K163 Y164 L170 G171K163-L167 HydrophobicContact CG-CD1 4.22Å; K163-L167 WeakPolarHBondContact O-CG 3.32Å; K163-L167 PolarHBondContact O-N 2.92Å; Y164-L167 PolarHBondContact O-N 3.36Å; L167-L170 PolarHBondContact O-N 3.34Å; L167-G171 PolarHBondContact O-N 2.99Å
168F91.3Very high84.6Confident140 Ų14099.9 Ų99.961%0.61449%0.494SS*.Hα-helixtrans-64-45.7175.2178.8-97.8000111.7Y164 A165 V166 G171 L172Y164-F168 VanDerWaalsContact O-CB 3.27Å; Y164-F168 WeakPolarHBondContact O-CB 3.47Å; Y164-F168 PolarHBondContact O-N 3.28Å; A165-F168 PolarHBondContact O-N 3.4Å; V166-F168 VanDerWaalsContact C-N 3.31Å; V166-F168 PolarHBondContact O-N 3.33Å; F168-G171 PolarHBondContact O-N 2.89Å; F168-L172 HydrophobicContact CE1-CD1 4.21Å; F168-L172 HydrophobicContact CZ-CD1 4.32Å; F168-L172 WeakPolarHBondContact O-CB 3.48Å; F168-L172 PolarHBondContact O-N 2.84Å
169M90.3Very high82.5Confident121 Ų121108.6 Ų108.660%0.59653%0.531SS*.Hα-helixtrans-64.3-40176.6-72.7-166.4-63.600112.4A165 V166 L172 F173A165-M169 WeakPolarHBondContact O-CG 3.49Å; A165-M169 PolarHBondContact O-N 3.1Å; V166-M169 PolarHBondContact O-N 3.22Å; M169-L172 PolarHBondContact O-N 3.39Å; M169-F173 WeakPolarHBondContact O-CB 3.44Å; M169-F173 PolarHBondContact O-N 3.46Å
170L87.2Confident82Confident96 Ų96106.8 Ų106.850%0.50353%0.529SS..Hα-helixtrans-63.5-43.9173.9-78.5168.7000111.5V166 L167 L172 F173 V174V166-L170 HydrophobicContact CG1-CD1 4.01Å; V166-L170 WeakPolarHBondContact O-CB 3.39Å; V166-L170 WeakPolarHBondContact O-CG 3.47Å; V166-L170 PolarHBondContact O-N 3.46Å; L167-L170 PolarHBondContact O-N 3.34Å; L170-L172 VanDerWaalsContact C-N 3.35Å; L170-L172 PolarHBondContact O-N 3.34Å; L170-F173 PolarHBondContact O-N 3.09Å; L170-V174 WeakPolarHBondContact O-CG2 3.14Å; L170-V174 PolarHBondContact O-N 3.16Å
171G83.2Confident81.5Confident34 Ų34108.6 Ų108.635%0.35153%0.533SS..Hα-helixtrans-56.5-49.9172.700000111.2L167 F168 F173 V174 L175L167-G171 PolarHBondContact O-N 2.99Å; F168-G171 PolarHBondContact O-N 2.89Å; G171-F173 PolarHBondContact O-N 3.13Å; G171-V174 PolarHBondContact O-N 3.1Å; G171-L175 WeakPolarHBondContact O-CB 3.31Å; G171-L175 WeakPolarHBondContact O-CD1 3.35Å; G171-L175 WeakPolarHBondContact O-CG 3.45Å; G171-L175 PolarHBondContact O-N 2.94Å
172L84.1Confident80.9Confident67 Ų67104.2 Ų104.235%0.35152%0.517SS..Hα-helixtrans-63-40.2178.2-167.8143.6000112.5F168 M169 L170 L175 V176F168-L172 HydrophobicContact CE1-CD1 4.21Å; F168-L172 HydrophobicContact CZ-CD1 4.32Å; F168-L172 WeakPolarHBondContact O-CB 3.48Å; F168-L172 PolarHBondContact O-N 2.84Å; M169-L172 PolarHBondContact O-N 3.39Å; L170-L172 VanDerWaalsContact C-N 3.35Å; L170-L172 PolarHBondContact O-N 3.34Å; L172-L175 WeakPolarHBondContact O-CB 3.16Å; L172-L175 PolarHBondContact O-N 3.3Å; L172-V176 HydrophobicContact CD2-CG2 3.92Å; L172-V176 HydrophobicContact CG-CG2 4.5Å; L172-V176 WeakPolarHBondContact O-CG2 3.05Å; L172-V176 PolarHBondContact O-N 3Å
173F83.3Confident80.4Confident117 Ų117105.2 Ų105.251%0.51353%0.525SS..Hα-helixtrans-61.3-49176.3175.7-96.4000111.7M169 L170 G171 L175 V176 H177M169-F173 WeakPolarHBondContact O-CB 3.44Å; M169-F173 PolarHBondContact O-N 3.46Å; L170-F173 PolarHBondContact O-N 3.09Å; G171-F173 PolarHBondContact O-N 3.13Å; F173-L175 PolarHBondContact O-N 3.37Å; F173-V176 PolarHBondContact O-N 3.18Å; F173-H177 AromaticContact CD2-ND1 3.77Å; F173-H177 AromaticContact CE2-CE1 3.5Å; F173-H177 VanDerWaalsContact CE2-CE1 3.5Å; F173-H177 WeakPolarHBondContact CE2-CE1 2.93Å; F173-H177 AromaticContact CE2-CG 3.96Å; F173-H177 AromaticContact CE2-ND1 3.43Å; F173-H177 WeakPolarHBondContact CE2-ND1 3.49Å; F173-H177 HydrophobicContact CZ-CB 4.46Å; F173-H177 AromaticContact CZ-CG 3.95Å; F173-H177 AromaticContact CZ-ND1 3.91Å; F173-H177 PolarHBondContact O-N 3.4Å
174V77.6Confident79.9Confident93 Ų93106.1 Ų106.156%0.56453%0.533SS*.Hα-helixtrans-60.6-33.5175.6171.80000111L170 G171 R178L170-V174 WeakPolarHBondContact O-CG2 3.14Å; L170-V174 PolarHBondContact O-N 3.16Å; G171-V174 PolarHBondContact O-N 3.1Å; V174-R178 VanDerWaalsContact O-CG 3.31Å; V174-R178 WeakPolarHBondContact O-CG 3.38Å
175L65.9Low79.1Confident85 Ų85102.8 Ų102.845%0.44553%0.528SS..Hα-helixtrans-72.3-38.5177.2-69.7168.2000112.9G171 L172 F173 R178G171-L175 WeakPolarHBondContact O-CB 3.31Å; G171-L175 WeakPolarHBondContact O-CD1 3.35Å; G171-L175 WeakPolarHBondContact O-CG 3.45Å; G171-L175 PolarHBondContact O-N 2.94Å; L172-L175 WeakPolarHBondContact O-CB 3.16Å; L172-L175 PolarHBondContact O-N 3.3Å; F173-L175 PolarHBondContact O-N 3.37Å; L175-R178 WeakPolarHBondContact O-CG 3.36Å
176V76.8Confident78.1Confident105 Ų105106.9 Ų106.964%0.63654%0.539SS*.Hα-helixtrans-77.4-35.9179.7173.10000111.9L172 F173 R178L172-V176 HydrophobicContact CD2-CG2 3.92Å; L172-V176 HydrophobicContact CG-CG2 4.5Å; L172-V176 WeakPolarHBondContact O-CG2 3.05Å; L172-V176 PolarHBondContact O-N 3Å; F173-V176 PolarHBondContact O-N 3.18Å; V176-R178 PolarHBondContact O-N 3.5Å
177H68.9Low77.2Confident129 Ų129112.5 Ų112.560%0.59756%0.564SS**THydrogen-bonded Turntrans-9031.1177.1-78.671.5000112.9F173 E179F173-H177 AromaticContact CD2-ND1 3.77Å; F173-H177 AromaticContact CE2-CE1 3.5Å; F173-H177 VanDerWaalsContact CE2-CE1 3.5Å; F173-H177 WeakPolarHBondContact CE2-CE1 2.93Å; F173-H177 AromaticContact CE2-CG 3.96Å; F173-H177 AromaticContact CE2-ND1 3.43Å; F173-H177 WeakPolarHBondContact CE2-ND1 3.49Å; F173-H177 HydrophobicContact CZ-CB 4.46Å; F173-H177 AromaticContact CZ-CG 3.95Å; F173-H177 AromaticContact CZ-ND1 3.91Å; F173-H177 PolarHBondContact O-N 3.4Å; H177-E179 VanDerWaalsContact C-N 3.32Å; H177-E179 PolarHBondContact O-N 3.01Å
178R58.1Low76.2Confident117 Ų117114.2 Ų114.244%0.44257%0.571SS.*  trans-73.587.6169.3-77.1-175.2163.1-169.4-7.7109.5V174 L175 V176V174-R178 VanDerWaalsContact O-CG 3.31Å; V174-R178 WeakPolarHBondContact O-CG 3.38Å; L175-R178 WeakPolarHBondContact O-CG 3.36Å; V176-R178 PolarHBondContact O-N 3.5Å
179E47.3Very low74.8Confident266 Ų266111.8 Ų111.8100%1.24357%0.567SS**  trans-850151.9-69.6-169.1170.800110.6H177H177-E179 VanDerWaalsContact C-N 3.32Å; H177-E179 PolarHBondContact O-N 3.01Å

Retrieved 179 of 179 residues in 85.2 ms (Link to these results)

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