A0A3Q0KM88_SCHMA Loading...

Lengsin

May act as a component of the cytoskeleton or as a chaperone for the reorganization of intermediate filament proteins during terminal differentiation in the lens. Does not seem to have enzymatic activity.

AlphaFold DB , UniProt , Accession A0A3Q0KM88, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 507 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
1M51.9Low52.3Low219 Ų219112.5 Ų112.5100%1.07960%0.598SS**  0-17.40-78.2-179.8175.600112.6
2D54.9Low52.8Low127 Ų127112.8 Ų112.868%0.67960%0.598SS**Hα-helixtrans-85.1-20.1176.9-72.4-32.1000116.3S5 N6D2-S5 PolarHBondContact O-OG 3.16Å; D2-N6 PolarHBondContact O-N 3.18Å
3S52.1Low54.7Low83 Ų83114.3 Ų114.358%0.5860%0.596SS**Hα-helixtrans-69.7-37.1177.357.20000112.5N7S3-N7 PolarHBondContact O-N 2.95Å; S3-N7 VanDerWaalsContact O-N 3.16Å
4D54.1Low56.2Low107 Ų107113.1 Ų113.157%0.57259%0.588SS**Hα-helixtrans-74-30.2-178.8-77.4-10000112.6K8D4-K8 WeakPolarHBondContact O-CB 3.44Å; D4-K8 VanDerWaalsContact O-CG 3.3Å; D4-K8 WeakPolarHBondContact O-CG 3.3Å; D4-K8 PolarHBondContact O-N 3.35Å
5S44.3Very low58.1Low58 Ų58110.8 Ų110.841%0.40658%0.577SS.*Hα-helixtrans-73.4-42.5176.653.80000111.6D2 K8 L9D2-S5 PolarHBondContact O-OG 3.16Å; S5-K8 PolarHBondContact O-N 3.42Å; S5-L9 PolarHBondContact O-N 3.45Å
6N48.9Very low60Low100 Ų100111.3 Ų111.354%0.53558%0.581SS.*Hα-helixtrans-64.2-45.4175.8-79.9-13.5000112.1D2 K8 L9 E10D2-N6 PolarHBondContact O-N 3.18Å; N6-K8 VanDerWaalsContact C-N 3.33Å; N6-K8 PolarHBondContact O-N 2.86Å; N6-L9 PolarHBondContact O-N 3.3Å; N6-L9 VanDerWaalsContact O-N 3.17Å; N6-E10 PolarHBondContact O-N 2.9Å
7N52.5Low61.8Low95 Ų95108.9 Ų108.951%0.50857%0.571SS.*Hα-helixtrans-60.4-41.1176-83.8-14.7000112.3S3 T11S3-N7 PolarHBondContact O-N 2.95Å; S3-N7 VanDerWaalsContact O-N 3.16Å; N7-T11 WeakPolarHBondContact O-CB 3.12Å; N7-T11 PolarHBondContact O-N 3.36Å; N7-T11 PolarHBondContact O-OG1 3.3Å
8K48.7Very low63.6Low149 Ų149106.3 Ų106.365%0.64856%0.555SS**Hα-helixtrans-63.6-41.2175.4-80.2177.2-179.91780112.1D4 S5 N6 T11 L12D4-K8 WeakPolarHBondContact O-CB 3.44Å; D4-K8 VanDerWaalsContact O-CG 3.3Å; D4-K8 WeakPolarHBondContact O-CG 3.3Å; D4-K8 PolarHBondContact O-N 3.35Å; S5-K8 PolarHBondContact O-N 3.42Å; N6-K8 VanDerWaalsContact C-N 3.33Å; N6-K8 PolarHBondContact O-N 2.86Å; K8-T11 PolarHBondContact O-N 3.18Å; K8-L12 WeakPolarHBondContact O-CB 3.23Å; K8-L12 VanDerWaalsContact O-CG 3.29Å; K8-L12 WeakPolarHBondContact O-CG 3.34Å; K8-L12 PolarHBondContact O-N 3.15Å
9L46.9Very low65.3Low92 Ų92104.5 Ų104.548%0.48254%0.543SS..Hα-helixtrans-67.5-42.6179.6-168.473.3000112S5 N6 T11 L12 K13S5-L9 PolarHBondContact O-N 3.45Å; N6-L9 PolarHBondContact O-N 3.3Å; N6-L9 VanDerWaalsContact O-N 3.17Å; L9-T11 VanDerWaalsContact C-N 3.34Å; L9-L12 PolarHBondContact O-N 3.33Å; L9-K13 WeakPolarHBondContact O-CG 3.41Å; L9-K13 PolarHBondContact O-N 2.91Å
10E59.8Low66.8Low131 Ų131108.5 Ų108.561%0.61255%0.551SS**Hα-helixtrans-63.8-40.2174.4-73.6-175.8173.600111.9N6 K13 M14N6-E10 PolarHBondContact O-N 2.9Å; E10-K13 PolarHBondContact O-N 2.91Å; E10-M14 WeakPolarHBondContact O-CB 3.39Å; E10-M14 PolarHBondContact O-N 2.82Å
11T61.4Low68.2Low77 Ų77103.7 Ų103.747%0.47253%0.526SS..Hα-helixtrans-62.2-47.3175.2-54.60000111.1N7 K8 L9 K13 M14 D15N7-T11 WeakPolarHBondContact O-CB 3.12Å; N7-T11 PolarHBondContact O-N 3.36Å; N7-T11 PolarHBondContact O-OG1 3.3Å; K8-T11 PolarHBondContact O-N 3.18Å; L9-T11 VanDerWaalsContact C-N 3.34Å; T11-K13 VanDerWaalsContact C-N 3.34Å; T11-K13 PolarHBondContact O-N 2.89Å; T11-M14 PolarHBondContact O-N 2.95Å; T11-M14 VanDerWaalsContact O-N 3.16Å; T11-D15 PolarHBondContact O-N 3.1Å
12L57.6Low70.3Confident116 Ų11693.5 Ų93.561%0.60748%0.476SS*.Hα-helixtrans-60.6-41.2177.1-75.9166.1000112.3K8 L9 D15 D16K8-L12 WeakPolarHBondContact O-CB 3.23Å; K8-L12 VanDerWaalsContact O-CG 3.29Å; K8-L12 WeakPolarHBondContact O-CG 3.34Å; K8-L12 PolarHBondContact O-N 3.15Å; L9-L12 PolarHBondContact O-N 3.33Å; L12-D15 PolarHBondContact O-N 2.81Å; L12-D16 PolarHBondContact O-N 3.22Å; L12-D16 VanDerWaalsContact O-N 3.07Å
13K77.8Confident72.3Confident132 Ų13294 Ų9457%0.57447%0.472SS*.Hα-helixtrans-63.3-43.1174.4-74.8177.7-179.8179.60111.5L9 E10 T11 D15 D16 V17L9-K13 WeakPolarHBondContact O-CG 3.41Å; L9-K13 PolarHBondContact O-N 2.91Å; E10-K13 PolarHBondContact O-N 2.91Å; T11-K13 VanDerWaalsContact C-N 3.34Å; T11-K13 PolarHBondContact O-N 2.89Å; K13-D15 VanDerWaalsContact C-N 3.34Å; K13-D16 PolarHBondContact O-N 2.94Å; K13-V17 VanDerWaalsContact O-CG2 3.26Å; K13-V17 WeakPolarHBondContact O-CG2 3.48Å; K13-V17 PolarHBondContact O-N 3.39Å
14M76.5Confident74.4Confident97 Ų9793.3 Ų93.348%0.47846%0.46SS..Hα-helixtrans-65.3-38.5179-175.358.364.700111.9E10 T11 V17 K18E10-M14 WeakPolarHBondContact O-CB 3.39Å; E10-M14 PolarHBondContact O-N 2.82Å; T11-M14 PolarHBondContact O-N 2.95Å; T11-M14 VanDerWaalsContact O-N 3.16Å; M14-V17 PolarHBondContact O-N 3.39Å; M14-K18 HydrophobicContact CG-CD 4.4Å; M14-K18 WeakPolarHBondContact O-CB 3.29Å; M14-K18 VanDerWaalsContact O-CG 3.29Å; M14-K18 WeakPolarHBondContact O-CG 3.19Å; M14-K18 PolarHBondContact O-N 2.87Å
15D83.5Confident76.4Confident79 Ų7988.2 Ų88.242%0.42243%0.433SS..Hα-helixtrans-67.7-38.8176.9-72.2-19.9000112T11 L12 K13 K18 E19T11-D15 PolarHBondContact O-N 3.1Å; L12-D15 PolarHBondContact O-N 2.81Å; K13-D15 VanDerWaalsContact C-N 3.34Å; D15-K18 PolarHBondContact O-N 3.39Å; D15-K18 IonicContact OD1-NZ 2.94Å; D15-E19 PolarHBondContact O-N 2.93Å
16D88.5Confident78.8Confident119 Ų11989.3 Ų89.364%0.63643%0.431SS*.Hα-helixtrans-63.5-44.4173.4-173.846.1000112.1L12 K13 K18 E19 R20L12-D16 PolarHBondContact O-N 3.22Å; L12-D16 VanDerWaalsContact O-N 3.07Å; K13-D16 PolarHBondContact O-N 2.94Å; D16-K18 VanDerWaalsContact C-N 3.34Å; D16-K18 PolarHBondContact O-N 2.96Å; D16-E19 PolarHBondContact O-N 3.49Å; D16-R20 WeakPolarHBondContact O-CB 3.32Å; D16-R20 PolarHBondContact O-N 2.69Å
17V91.3Very high81Confident70 Ų7088.3 Ų88.342%0.42442%0.422SS..Hα-helixtrans-62-41.9175.7176.30000111.2K13 M14 R20 F21 F95K13-V17 VanDerWaalsContact O-CG2 3.26Å; K13-V17 WeakPolarHBondContact O-CG2 3.48Å; K13-V17 PolarHBondContact O-N 3.39Å; M14-V17 PolarHBondContact O-N 3.39Å; V17-R20 PolarHBondContact O-N 2.99Å; V17-F21 PolarHBondContact O-N 3.03Å; V17-F95 HydrophobicContact CG1-CD2 3.74Å
18K94.2Very high83Confident62 Ų6284.3 Ų84.327%0.2740%0.4SS..Hα-helixtrans-62.4-46.4175.7-78.1172-174.2163.90112.2M14 D15 D16 R20 F21 I22 F95M14-K18 HydrophobicContact CG-CD 4.4Å; M14-K18 WeakPolarHBondContact O-CB 3.29Å; M14-K18 VanDerWaalsContact O-CG 3.29Å; M14-K18 WeakPolarHBondContact O-CG 3.19Å; M14-K18 PolarHBondContact O-N 2.87Å; D15-K18 PolarHBondContact O-N 3.39Å; D15-K18 IonicContact OD1-NZ 2.94Å; D16-K18 VanDerWaalsContact C-N 3.34Å; D16-K18 PolarHBondContact O-N 2.96Å; K18-R20 VanDerWaalsContact C-N 3.32Å; K18-R20 PolarHBondContact O-N 3.17Å; K18-F21 WeakPolarHBondContact O-CB 3.12Å; K18-F21 PolarHBondContact O-N 3.01Å; K18-I22 WeakPolarHBondContact O-CD1 3.29Å; K18-I22 VanDerWaalsContact O-CG1 3.28Å; K18-I22 WeakPolarHBondContact O-CG1 3.35Å; K18-I22 PolarHBondContact O-N 2.95Å; K18-F95 HydrophobicContact CB-CE2 4.38Å; K18-F95 HydrophobicContact CG-CE2 3.5Å; K18-F95 HydrophobicContact CG-CZ 3.74Å
19E95.6Very high85.3Confident73 Ų7378.1 Ų78.134%0.34138%0.375SS..Hα-helixtrans-66.3-34.7178.8-72.8-60.6134.200111.8D15 D16 I22 K23 R53D15-E19 PolarHBondContact O-N 2.93Å; D16-E19 PolarHBondContact O-N 3.49Å; E19-I22 PolarHBondContact O-N 3.19Å; E19-K23 WeakPolarHBondContact O-CG 3.45Å; E19-K23 PolarHBondContact O-N 2.91Å; E19-R53 IonicContact OE1-NH1 2.63Å; E19-R53 PolarHBondContact OE1-NH1 3.13Å; E19-R53 IonicContact OE2-CZ 3.56Å; E19-R53 IonicContact OE2-NH1 3.04Å; E19-R53 PolarHBondContact OE2-NH1 3.06Å; E19-R53 IonicContact OE2-NH2 2.69Å
20R95Very high87.7Confident184 Ų18478.3 Ų78.369%0.69437%0.37SS*.Hα-helixtrans-62.1-47.7170.4-177178.4176.7-174.6-2.4111.4D16 V17 K18 I22 K23 E24D16-R20 WeakPolarHBondContact O-CB 3.32Å; D16-R20 PolarHBondContact O-N 2.69Å; V17-R20 PolarHBondContact O-N 2.99Å; K18-R20 VanDerWaalsContact C-N 3.32Å; K18-R20 PolarHBondContact O-N 3.17Å; R20-I22 VanDerWaalsContact C-N 3.34Å; R20-I22 PolarHBondContact O-N 2.68Å; R20-K23 PolarHBondContact O-N 3.03Å; R20-E24 WeakPolarHBondContact O-CG 3.16Å; R20-E24 PolarHBondContact O-N 3.19Å
21F96.7Very high89.5Confident7 Ų772.1 Ų72.13%0.03134%0.34CS..Hα-helixtrans-56.7-47.6176.1169.8-95.7000111.5V17 K18 K23 E24 V25 I31 I55 A56 P93 F95 L98 V133V17-F21 PolarHBondContact O-N 3.03Å; K18-F21 WeakPolarHBondContact O-CB 3.12Å; K18-F21 PolarHBondContact O-N 3.01Å; F21-K23 PolarHBondContact O-N 2.93Å; F21-E24 PolarHBondContact O-N 2.88Å; F21-V25 HydrophobicContact CD1-CG2 4.23Å; F21-V25 HydrophobicContact CD2-CG2 4.07Å; F21-V25 HydrophobicContact CE1-CG2 3.84Å; F21-V25 HydrophobicContact CE2-CG2 3.66Å; F21-V25 HydrophobicContact CG-CG2 4.35Å; F21-V25 HydrophobicContact CZ-CG2 3.55Å; F21-V25 VanDerWaalsContact O-CG2 3.31Å; F21-V25 WeakPolarHBondContact O-CG2 3.45Å; F21-V25 PolarHBondContact O-N 3.18Å; F21-I31 HydrophobicContact CZ-CD1 4.02Å; F21-I55 HydrophobicContact CE1-CG2 4.17Å; F21-I55 HydrophobicContact CZ-CG2 4.2Å; F21-A56 HydrophobicContact CD1-CB 3.78Å; F21-A56 HydrophobicContact CE1-CB 3.98Å; F21-P93 HydrophobicContact CZ-CB 4.37Å; F21-F95 HydrophobicContact CB-CB 4.3Å; F21-F95 HydrophobicContact CB-CD1 3.88Å; F21-F95 HydrophobicContact CB-CD2 4.4Å; F21-F95 HydrophobicContact CB-CE1 4.23Å; F21-F95 HydrophobicContact CB-CG 3.95Å; F21-F95 AromaticContact CD1-CD1 3.72Å; F21-F95 HydrophobicContact CD1-CD1 3.72Å; F21-F95 AromaticContact CD1-CE1 3.53Å; F21-F95 HydrophobicContact CD1-CE1 3.53Å; F21-F95 HydrophobicContact CD1-CZ 4.32Å; F21-F95 HydrophobicContact CD2-CB 3.97Å; F21-F95 AromaticContact CD2-CD1 3.29Å; F21-F95 HydrophobicContact CD2-CD1 3.29Å; F21-F95 HydrophobicContact CD2-CE1 4.01Å; F21-F95 AromaticContact CD2-CG 3.89Å; F21-F95 HydrophobicContact CD2-CG 3.89Å; F21-F95 HydrophobicContact CE1-CD1 4.03Å; F21-F95 AromaticContact CE1-CE1 3.78Å; F21-F95 HydrophobicContact CE1-CE1 3.78Å; F21-F95 AromaticContact CE2-CD1 3.63Å; F21-F95 HydrophobicContact CE2-CD1 3.63Å; F21-F95 HydrophobicContact CE2-CE1 4.22Å; F21-F95 HydrophobicContact CG-CB 4.35Å; F21-F95 AromaticContact CG-CD1 3.33Å; F21-F95 HydrophobicContact CG-CD1 3.33Å; F21-F95 AromaticContact CG-CE1 3.65Å; F21-F95 HydrophobicContact CG-CE1 3.65Å; F21-F95 AromaticContact CG-CG 3.9Å; F21-F95 HydrophobicContact CG-CG 3.9Å; F21-F95 HydrophobicContact CG-CZ 4.46Å; F21-F95 AromaticContact CZ-CD1 3.98Å; F21-F95 HydrophobicContact CZ-CD1 3.98Å; F21-F95 HydrophobicContact CZ-CE1 4.1Å; F21-L98 HydrophobicContact CD2-CB 4.39Å; F21-L98 HydrophobicContact CD2-CD2 3.98Å; F21-L98 HydrophobicContact CE2-CB 4.32Å; F21-L98 HydrophobicContact CE2-CD1 4.19Å; F21-L98 HydrophobicContact CE2-CD2 4.23Å; F21-L98 HydrophobicContact CE2-CG 4.48Å; F21-V133 HydrophobicContact CE2-CB 4.31Å; F21-V133 HydrophobicContact CE2-CG1 4.49Å; F21-V133 HydrophobicContact CE2-CG2 4.03Å; F21-V133 HydrophobicContact CZ-CG1 4.35Å
22I97.2Very high91.2Very high6 Ų670.9 Ų70.93%0.03133%0.327CS..Hα-helixtrans-56.6-49.7178.6-69.7157.7000110.8K18 E19 R20 E24 V25 E26 A52 R53 A56K18-I22 WeakPolarHBondContact O-CD1 3.29Å; K18-I22 VanDerWaalsContact O-CG1 3.28Å; K18-I22 WeakPolarHBondContact O-CG1 3.35Å; K18-I22 PolarHBondContact O-N 2.95Å; E19-I22 PolarHBondContact O-N 3.19Å; R20-I22 VanDerWaalsContact C-N 3.34Å; R20-I22 PolarHBondContact O-N 2.68Å; I22-E24 VanDerWaalsContact C-N 3.31Å; I22-E24 PolarHBondContact O-N 3.42Å; I22-V25 PolarHBondContact O-N 2.73Å; I22-E26 HydrophobicContact CG2-CG 4.23Å; I22-E26 WeakPolarHBondContact CG2-OE1 3.42Å; I22-E26 WeakPolarHBondContact O-CB 3.17Å; I22-E26 WeakPolarHBondContact O-CG 3.4Å; I22-E26 PolarHBondContact O-N 3.44Å; I22-A52 HydrophobicContact CG2-CB 4.15Å; I22-R53 HydrophobicContact CD1-CG 4Å; I22-R53 HydrophobicContact CG1-CG 4.44Å; I22-R53 HydrophobicContact CG2-CG 4.14Å; I22-A56 HydrophobicContact CD1-CB 3.93Å; I22-A56 HydrophobicContact CG1-CB 3.7Å
23K96.3Very high93.1Very high137 Ų13765.4 Ų65.460%0.59630%0.299SS*.Hα-helixtrans-60.6-37.3179.2-73.6175.1-177.3174.90113.2E19 R20 F21E19-K23 WeakPolarHBondContact O-CG 3.45Å; E19-K23 PolarHBondContact O-N 2.91Å; R20-K23 PolarHBondContact O-N 3.03Å; F21-K23 PolarHBondContact O-N 2.93Å
24E95.7Very high94.1Very high69 Ų6959.7 Ų59.732%0.32228%0.275SS..Hα-helixtrans-71.7-39.3177.2-68.9-55.2131.300111.9R20 F21 I22 K27 F28 L98R20-E24 WeakPolarHBondContact O-CG 3.16Å; R20-E24 PolarHBondContact O-N 3.19Å; F21-E24 PolarHBondContact O-N 2.88Å; I22-E24 VanDerWaalsContact C-N 3.31Å; I22-E24 PolarHBondContact O-N 3.42Å; E24-K27 PolarHBondContact O-N 2.79Å; E24-K27 IonicContact OE1-NZ 3.65Å; E24-K27 PolarHBondContact OE1-NZ 2.89Å; E24-K27 WeakPolarHBondContact OE2-CE 3.27Å; E24-K27 IonicContact OE2-NZ 3.53Å; E24-K27 PolarHBondContact OE2-NZ 2.79Å; E24-F28 WeakPolarHBondContact O-CD2 2.77Å; E24-L98 HydrophobicContact CB-CD2 3.54Å
25V96.3Very high95.1Very high0 Ų055.3 Ų55.30%025%0.253CS..Hα-helixtrans-66.7-40.8176.7172.50000111.8F21 I22 K27 F28 I31 T49 A52 L98F21-V25 HydrophobicContact CD1-CG2 4.23Å; F21-V25 HydrophobicContact CD2-CG2 4.07Å; F21-V25 HydrophobicContact CE1-CG2 3.84Å; F21-V25 HydrophobicContact CE2-CG2 3.66Å; F21-V25 HydrophobicContact CG-CG2 4.35Å; F21-V25 HydrophobicContact CZ-CG2 3.55Å; F21-V25 VanDerWaalsContact O-CG2 3.31Å; F21-V25 WeakPolarHBondContact O-CG2 3.45Å; F21-V25 PolarHBondContact O-N 3.18Å; I22-V25 PolarHBondContact O-N 2.73Å; V25-K27 PolarHBondContact O-N 2.69Å; V25-F28 PolarHBondContact O-N 3.08Å; V25-I31 HydrophobicContact CG1-CB 4.24Å; V25-I31 HydrophobicContact CG1-CD1 3.94Å; V25-I31 HydrophobicContact CG1-CG2 4.27Å; V25-I31 HydrophobicContact CG2-CD1 3.74Å; V25-T49 HydrophobicContact CG1-CG2 3.58Å; V25-T49 WeakPolarHBondContact O-CG2 3.14Å; V25-A52 HydrophobicContact CB-CB 4.28Å; V25-A52 HydrophobicContact CG1-CB 3.87Å; V25-L98 HydrophobicContact CG2-CD1 3.87Å; V25-L98 HydrophobicContact CG2-CD2 3.98Å
26E95.5Very high95.8Very high80 Ų8051.5 Ų51.537%0.37423%0.233SC..THydrogen-bonded Turntrans-65.7-2.2178.6-73.5175.4169.200114I22 F28 A52 H113I22-E26 HydrophobicContact CG2-CG 4.23Å; I22-E26 WeakPolarHBondContact CG2-OE1 3.42Å; I22-E26 WeakPolarHBondContact O-CB 3.17Å; I22-E26 WeakPolarHBondContact O-CG 3.4Å; I22-E26 PolarHBondContact O-N 3.44Å; E26-F28 VanDerWaalsContact C-N 3.31Å; E26-A52 HydrophobicContact CG-CB 3.99Å; E26-H113 PolarHBondContact O-CD2 2.96Å; E26-H113 PolarHBondContact O-NE2 3.29Å; E26-H113 VanDerWaalsContact O-NE2 3.11Å
27K94Very high96.1Very high79 Ų7946 Ų4634%0.34320%0.204SC..THydrogen-bonded Turntrans-82.1-9.4168.7-57.2176.6-174168.80113.2E24 V25 H111E24-K27 PolarHBondContact O-N 2.79Å; E24-K27 IonicContact OE1-NZ 3.65Å; E24-K27 PolarHBondContact OE1-NZ 2.89Å; E24-K27 WeakPolarHBondContact OE2-CE 3.27Å; E24-K27 IonicContact OE2-NZ 3.53Å; E24-K27 PolarHBondContact OE2-NZ 2.79Å; V25-K27 PolarHBondContact O-N 2.69Å; K27-H111 WeakPolarHBondContact CB-ND1 3.44Å; K27-H111 WeakPolarHBondContact O-CA 3.35Å; K27-H111 VanDerWaalsContact O-CB 3.28Å; K27-H111 WeakPolarHBondContact O-CB 3.04Å; K27-H111 PolarHBondContact O-ND1 2.77Å
28F95.4Very high96.4Very high11 Ų1142.7 Ų42.75%0.04818%0.184CC..SBendtrans-115155-177.1-60.9-95.6000111.4E24 V25 E26 T49 P100 H111 H113 S129 C131E24-F28 WeakPolarHBondContact O-CD2 2.77Å; V25-F28 PolarHBondContact O-N 3.08Å; E26-F28 VanDerWaalsContact C-N 3.31Å; F28-T49 HydrophobicContact CB-CG2 4.32Å; F28-T49 VanDerWaalsContact O-CB 3.26Å; F28-T49 WeakPolarHBondContact O-CB 3.43Å; F28-T49 WeakPolarHBondContact O-CG2 3.48Å; F28-T49 PolarHBondContact O-OG1 3.01Å; F28-P100 HydrophobicContact CE1-CB 3.9Å; F28-P100 HydrophobicContact CZ-CB 3.87Å; F28-H111 AromaticContact CZ-CE1 3.78Å; F28-H111 AromaticContact CZ-ND1 3.87Å; F28-H113 PolarHBondContact O-CE1 3.01Å; F28-H113 PolarHBondContact O-NE2 3.5Å; F28-S129 VanDerWaalsContact CA-OG 3.29Å; F28-S129 WeakPolarHBondContact CA-OG 3.31Å; F28-C131 HydrophobicContact CB-CB 4.33Å; F28-C131 HydrophobicContact CD1-CB 3.89Å; F28-C131 HydrophobicContact CD2-CB 3.7Å; F28-C131 HydrophobicContact CE1-CB 4.1Å; F28-C131 HydrophobicContact CE2-CB 3.9Å; F28-C131 HydrophobicContact CG-CB 3.7Å; F28-C131 HydrophobicContact CZ-CB 4.11Å
29D95.5Very high96.4Very high20 Ų2040.7 Ų40.711%0.10718%0.176CC..SBendtrans-73.2-38175-72.1-63.8000112.2T49 S112 H113 Y128 S129D29-T49 PolarHBondContact O-N 3.3Å; D29-T49 PolarHBondContact O-OG1 2.91Å; D29-S112 PolarHBondContact N-O 3.42Å; D29-S112 WeakPolarHBondContact OD2-CB 3.06Å; D29-S112 PolarHBondContact OD2-OG 3.17Å; D29-H113 WeakPolarHBondContact OD1-CA 3.48Å; D29-H113 IonicContact OD1-CG 2.65Å; D29-H113 IonicContact OD1-ND1 3.23Å; D29-H113 PolarHBondContact OD1-ND1 3.03Å; D29-H113 VanDerWaalsContact OD1-ND1 3.13Å; D29-Y128 VanDerWaalsContact OD2-CA 3.25Å; D29-Y128 WeakPolarHBondContact OD2-CA 3.47Å; D29-S129 WeakPolarHBondContact CB-O 3.17Å; D29-S129 PolarHBondContact N-O 3.18Å; D29-S129 VanDerWaalsContact N-O 3.11Å; D29-S129 PolarHBondContact N-OG 3.36Å; D29-S129 PolarHBondContact OD2-N 2.91Å; D29-S129 VanDerWaalsContact OD2-N 3.07Å
30Y97.2Very high96.4Very high96 Ų9637.5 Ų37.538%0.37616%0.162SC..EExtended strand (participates in β ladder)trans-136.6155.1-177.2-57-89.5000112.8L46 L47 S129 I130 C131Y30-L46 HydrophobicContact CD1-CD2 4.33Å; Y30-L46 HydrophobicContact CD1-CG 4.24Å; Y30-L46 HydrophobicContact CG-CD1 4.41Å; Y30-L46 HydrophobicContact CG-CD2 4.46Å; Y30-L46 HydrophobicContact CG-CG 4.41Å; Y30-L47 CarbonylContact C-O 3.42Å; Y30-L47 VanDerWaalsContact CA-O 3.23Å; Y30-L47 WeakPolarHBondContact CA-O 3.26Å; Y30-L47 WeakPolarHBondContact CB-O 3.38Å; Y30-S129 PolarHBondContact N-O 2.99Å; Y30-S129 VanDerWaalsContact N-O 3.08Å; Y30-I130 WeakPolarHBondContact O-CA 3.29Å; Y30-C131 PolarHBondContact O-N 3.46Å
31I97.8Very high96.4Very high0 Ų030.1 Ų30.10%014%0.136CC..EExtended strand (participates in β ladder)trans-127.4134.6172.5-176.7171.6000110.7F21 V25 L33 L47 T49 I55 L98 C131 V133F21-I31 HydrophobicContact CZ-CD1 4.02Å; V25-I31 HydrophobicContact CG1-CB 4.24Å; V25-I31 HydrophobicContact CG1-CD1 3.94Å; V25-I31 HydrophobicContact CG1-CG2 4.27Å; V25-I31 HydrophobicContact CG2-CD1 3.74Å; I31-L33 HydrophobicContact CD1-CD2 4.16Å; I31-L33 HydrophobicContact CG1-CD2 4.21Å; I31-L47 HydrophobicContact CG2-CB 4.22Å; I31-L47 PolarHBondContact N-O 3.39Å; I31-L47 PolarHBondContact O-N 3.23Å; I31-T49 HydrophobicContact CB-CG2 4.23Å; I31-T49 HydrophobicContact CG2-CG2 4.23Å; I31-I55 HydrophobicContact CG2-CD1 3.39Å; I31-L98 HydrophobicContact CD1-CD1 4.39Å; I31-C131 CarbonylContact C-O 3.59Å; I31-C131 VanDerWaalsContact CA-O 3.27Å; I31-C131 WeakPolarHBondContact CA-O 3.44Å; I31-V133 HydrophobicContact CD1-CB 4.32Å; I31-V133 HydrophobicContact CD1-CG1 3.74Å; I31-V133 HydrophobicContact CG1-CG1 4.32Å
32R97.9Very high96.3Very high52 Ų5231.3 Ų31.320%0.19614%0.142CC..EExtended strand (participates in β ladder)trans-91.2122.1168.2-68.2179.4174.9-172.9-2.1110.1K45 L46 I130 C131 A132 V133 E278R32-K45 CarbonylContact C-O 3.45Å; R32-K45 WeakPolarHBondContact CA-O 3.3Å; R32-L46 HydrophobicContact CG-CD1 3.58Å; R32-I130 HydrophobicContact CG-CG2 4.07Å; R32-C131 PolarHBondContact N-O 3.41Å; R32-A132 HydrophobicContact CB-CB 3.86Å; R32-A132 CarbonylContact O-C 3.56Å; R32-A132 VanDerWaalsContact O-CA 3.27Å; R32-A132 WeakPolarHBondContact O-CA 3.47Å; R32-V133 PolarHBondContact O-N 2.89Å; R32-E278 IonicContact CZ-OE1 3.94Å; R32-E278 IonicContact NH1-OE1 3.61Å; R32-E278 PolarHBondContact NH1-OE1 3.44Å; R32-E278 IonicContact NH1-OE2 2.66Å; R32-E278 PolarHBondContact NH1-OE2 3.42Å; R32-E278 IonicContact NH2-OE1 3.83Å; R32-E278 PolarHBondContact NH2-OE1 3.07Å
33L98.3Very high96.2Very high1 Ų133 Ų331%0.00515%0.151CC..EExtended strand (participates in β ladder)trans-90.5102.6167.8-55.3-168.4000108.3I31 S44 K45 L47 I55 S60 L91 V133I31-L33 HydrophobicContact CD1-CD2 4.16Å; I31-L33 HydrophobicContact CG1-CD2 4.21Å; L33-S44 CarbonylContact O-C 3.53Å; L33-S44 WeakPolarHBondContact O-CA 3.37Å; L33-K45 PolarHBondContact N-O 2.63Å; L33-K45 PolarHBondContact O-N 3.04Å; L33-L47 HydrophobicContact CD1-CD1 3.49Å; L33-L47 VanDerWaalsContact CD1-CD1 3.49Å; L33-L47 HydrophobicContact CG-CD1 3.88Å; L33-I55 HydrophobicContact CD1-CG2 4.35Å; L33-I55 HydrophobicContact CD2-CG2 3.64Å; L33-S60 VanDerWaalsContact CD1-CB 3.43Å; L33-L91 HydrophobicContact CB-CD1 4.05Å; L33-L91 HydrophobicContact CD1-CB 4.35Å; L33-L91 HydrophobicContact CD1-CD1 4Å; L33-V133 HydrophobicContact CD2-CG1 3.49Å; L33-V133 VanDerWaalsContact CD2-CG1 3.49Å
34S98.1Very high96.2Very high12 Ų1229.3 Ų29.38%0.08414%0.142CC..EExtended strand (participates in β ladder)trans-107.4145.5-170.3-63.60000112.3L43 S44 V133 L134 C135S34-L43 CarbonylContact C-O 3.47Å; S34-L43 VanDerWaalsContact CA-O 3.23Å; S34-L43 WeakPolarHBondContact CA-O 3.39Å; S34-S44 PolarHBondContact OG-OG 2.69Å; S34-V133 PolarHBondContact N-O 2.89Å; S34-L134 CarbonylContact O-C 3.57Å; S34-L134 VanDerWaalsContact O-CA 3.25Å; S34-L134 WeakPolarHBondContact O-CA 3.21Å; S34-C135 PolarHBondContact O-N 2.99Å
35F97.9Very high96.2Very high4 Ų430 Ų302%0.01814%0.144CC..EExtended strand (participates in β ladder)trans-157.4151.9178.155.3-82.8000110.5L43 V62 I67 L91 C135 L137F35-L43 HydrophobicContact CD2-CB 4Å; F35-L43 HydrophobicContact CD2-CD1 4.28Å; F35-L43 HydrophobicContact CE1-CB 4.1Å; F35-L43 HydrophobicContact CE2-CB 3.57Å; F35-L43 HydrophobicContact CE2-CD1 3.56Å; F35-L43 HydrophobicContact CE2-CG 4.18Å; F35-L43 HydrophobicContact CG-CB 4.45Å; F35-L43 HydrophobicContact CZ-CB 3.6Å; F35-L43 HydrophobicContact CZ-CD1 4.13Å; F35-L43 PolarHBondContact N-O 2.7Å; F35-L43 PolarHBondContact O-N 3.37Å; F35-V62 HydrophobicContact CZ-CB 4.38Å; F35-V62 HydrophobicContact CZ-CG1 4.04Å; F35-V62 HydrophobicContact CZ-CG2 3.99Å; F35-I67 HydrophobicContact CD2-CG2 4.12Å; F35-I67 HydrophobicContact CE2-CG2 4.07Å; F35-L91 HydrophobicContact CD1-CD2 3.5Å; F35-L91 HydrophobicContact CE1-CD1 4.29Å; F35-L91 HydrophobicContact CE1-CD2 3.61Å; F35-L91 HydrophobicContact CG-CD2 4.17Å; F35-L91 HydrophobicContact CZ-CD2 4.32Å; F35-C135 WeakPolarHBondContact CB-O 3.15Å; F35-L137 HydrophobicContact CB-CD1 4Å; F35-L137 HydrophobicContact CD1-CD1 4.41Å; F35-L137 HydrophobicContact CD2-CD1 3.61Å; F35-L137 HydrophobicContact CE2-CD1 4.18Å; F35-L137 HydrophobicContact CG-CD1 3.75Å
36P97.1Very high96.2Very high0 Ų034.5 Ų34.50%017%0.168CC..EExtended strand (participates in β ladder)trans-78.1144.417532.8-37.2000112.1P149 R150 F270 Y403P36-P149 HydrophobicContact CB-CB 4.44Å; P36-P149 HydrophobicContact CB-CG 4.28Å; P36-P149 HydrophobicContact CG-CB 3.96Å; P36-P149 HydrophobicContact CG-CG 4.08Å; P36-R150 HydrophobicContact CG-CG 4.1Å; P36-F270 HydrophobicContact CB-CE2 3.72Å; P36-F270 HydrophobicContact CB-CZ 3.73Å; P36-F270 HydrophobicContact CG-CZ 4.48Å; P36-Y403 HydrophobicContact CB-CD2 3.93Å; P36-Y403 HydrophobicContact CB-CE2 4.01Å; P36-Y403 HydrophobicContact CG-CD2 3.63Å; P36-Y403 HydrophobicContact CG-CE2 3.65Å
37D95.9Very high96.3Very high4 Ų432.7 Ų32.72%0.02116%0.16CC..  trans-85.7-179.3158.378.6-3.9000111.9N39 G40 I41 L43 I67D37-N39 PolarHBondContact O-N 3.11Å; D37-N39 VanDerWaalsContact OD1-C 3.29Å; D37-N39 VanDerWaalsContact OD1-CA 3.27Å; D37-N39 WeakPolarHBondContact OD1-CA 3.2Å; D37-N39 WeakPolarHBondContact OD1-CB 3.43Å; D37-N39 PolarHBondContact OD1-N 3.13Å; D37-G40 PolarHBondContact O-N 3.3Å; D37-G40 PolarHBondContact OD1-N 3.46Å; D37-I41 PolarHBondContact N-O 3.05Å; D37-I41 VanDerWaalsContact N-O 3.13Å; D37-I41 WeakPolarHBondContact OD1-CB 3.25Å; D37-I41 PolarHBondContact OD1-N 3.17Å; D37-L43 HydrophobicContact CB-CD1 3.78Å; D37-L43 HydrophobicContact CB-CG 4.21Å; D37-I67 HydrophobicContact CB-CB 4.31Å
38L95.9Very high96.5Very high0 Ų030.6 Ų30.60%016%0.155CC..THydrogen-bonded Turntrans-71.9-4.4177-71.1167.5000114.5I67 T68 A147 P149 H404 F467 W470 V474L38-I67 VanDerWaalsContact CB-O 3.31Å; L38-I67 WeakPolarHBondContact CB-O 3.17Å; L38-I67 HydrophobicContact CG-CD1 4.42Å; L38-I67 WeakPolarHBondContact CG-O 3.37Å; L38-I67 PolarHBondContact N-O 2.65Å; L38-T68 HydrophobicContact CD1-CG2 3.89Å; L38-A147 WeakPolarHBondContact CD2-O 3.35Å; L38-P149 HydrophobicContact CD2-CG 4.39Å; L38-H404 PolarHBondContact O-CE1 3.03Å; L38-F467 HydrophobicContact CD2-CD2 4.12Å; L38-F467 HydrophobicContact CD2-CE2 4.02Å; L38-W470 HydrophobicContact CD1-CB 3.56Å; L38-W470 HydrophobicContact CD1-CE3 4.2Å; L38-V474 HydrophobicContact CB-CB 4.49Å; L38-V474 HydrophobicContact CB-CG2 4.08Å; L38-V474 HydrophobicContact CD1-CG2 3.85Å
39N95Very high96.5Very high20 Ų2030 Ų3011%0.10715%0.153CC..THydrogen-bonded Turntrans-98.1-5.7168.6-68.9-57.2000112.5D37 I41 G69 V474 K475D37-N39 PolarHBondContact O-N 3.11Å; D37-N39 VanDerWaalsContact OD1-C 3.29Å; D37-N39 VanDerWaalsContact OD1-CA 3.27Å; D37-N39 WeakPolarHBondContact OD1-CA 3.2Å; D37-N39 WeakPolarHBondContact OD1-CB 3.43Å; D37-N39 PolarHBondContact OD1-N 3.13Å; N39-I41 VanDerWaalsContact C-N 3.34Å; N39-I41 HydrophobicContact CB-CD1 4.09Å; N39-I41 HydrophobicContact CB-CG1 4.04Å; N39-G69 PolarHBondContact ND2-O 2.87Å; N39-V474 VanDerWaalsContact ND2-CG1 3.34Å; N39-V474 WeakPolarHBondContact ND2-CG1 3.48Å; N39-V474 WeakPolarHBondContact OD1-CG1 3.45Å; N39-K475 PolarHBondContact OD1-NZ 3.48Å
40G95.3Very high96.5Very high5 Ų536 Ų365%0.05218%0.181CC..  trans8013-173.400000114.3D37D37-G40 PolarHBondContact O-N 3.3Å; D37-G40 PolarHBondContact OD1-N 3.46Å
41I94.8Very high96.5Very high29 Ų2935.7 Ų35.715%0.14918%0.181CC..  trans-73140.1175.7-59.2174.1000109.1D37 N39 L43 P71 F506D37-I41 PolarHBondContact N-O 3.05Å; D37-I41 VanDerWaalsContact N-O 3.13Å; D37-I41 WeakPolarHBondContact OD1-CB 3.25Å; D37-I41 PolarHBondContact OD1-N 3.17Å; N39-I41 VanDerWaalsContact C-N 3.34Å; N39-I41 HydrophobicContact CB-CD1 4.09Å; N39-I41 HydrophobicContact CB-CG1 4.04Å; I41-L43 HydrophobicContact CG2-CD2 4.37Å; I41-L43 PolarHBondContact O-N 3.41Å; I41-P71 HydrophobicContact CD1-CB 4.09Å; I41-F506 HydrophobicContact CD1-CB 3.99Å; I41-F506 HydrophobicContact CD1-CD1 4.48Å; I41-F506 HydrophobicContact CG1-CB 4.34Å
42H94.4Very high96.5Very high33 Ų3335.8 Ų35.815%0.15318%0.182CC..EExtended strand (participates in β ladder)trans-71.9111.3172.7-72.986.3000111F270H42-F270 HydrophobicContact CB-CZ 4.3Å; H42-F270 AromaticContact CD2-CD1 3.59Å; H42-F270 AromaticContact CD2-CD2 4Å; H42-F270 AromaticContact CD2-CE1 3.14Å; H42-F270 WeakPolarHBondContact CD2-CE1 3.35Å; H42-F270 AromaticContact CD2-CE2 3.58Å; H42-F270 AromaticContact CD2-CG 4Å; H42-F270 AromaticContact CD2-CZ 3.14Å; H42-F270 WeakPolarHBondContact CD2-CZ 3.06Å; H42-F270 AromaticContact CE1-CD2 3.51Å; H42-F270 AromaticContact CE1-CE2 3.53Å; H42-F270 AromaticContact CE1-CG 3.87Å; H42-F270 AromaticContact CE1-CZ 3.95Å; H42-F270 PolarHBondContact CE1-O 3.5Å; H42-F270 AromaticContact CG-CE2 3.89Å; H42-F270 AromaticContact CG-CZ 3.64Å; H42-F270 AromaticContact ND1-CE2 3.87Å; H42-F270 VanDerWaalsContact NE2-C 3.33Å; H42-F270 AromaticContact NE2-CD1 3.22Å; H42-F270 WeakPolarHBondContact NE2-CD1 3.27Å; H42-F270 AromaticContact NE2-CD2 3.29Å; H42-F270 VanDerWaalsContact NE2-CD2 3.29Å; H42-F270 WeakPolarHBondContact NE2-CD2 3.46Å; H42-F270 AromaticContact NE2-CE1 3.31Å; H42-F270 VanDerWaalsContact NE2-CE1 3.31Å; H42-F270 WeakPolarHBondContact NE2-CE1 3.24Å; H42-F270 AromaticContact NE2-CE2 3.35Å; H42-F270 WeakPolarHBondContact NE2-CE2 3.25Å; H42-F270 AromaticContact NE2-CG 3.22Å; H42-F270 WeakPolarHBondContact NE2-CG 3.22Å; H42-F270 AromaticContact NE2-CZ 3.37Å; H42-F270 WeakPolarHBondContact NE2-CZ 3.42Å; H42-F270 PolarHBondContact NE2-O 3.15Å
43L95.6Very high96.4Very high42 Ų4239.2 Ų39.222%0.2220%0.195CC..EExtended strand (participates in β ladder)trans-103140168.8-58.1-175.5000109.5S34 F35 D37 I41 A66S34-L43 CarbonylContact C-O 3.47Å; S34-L43 VanDerWaalsContact CA-O 3.23Å; S34-L43 WeakPolarHBondContact CA-O 3.39Å; F35-L43 HydrophobicContact CD2-CB 4Å; F35-L43 HydrophobicContact CD2-CD1 4.28Å; F35-L43 HydrophobicContact CE1-CB 4.1Å; F35-L43 HydrophobicContact CE2-CB 3.57Å; F35-L43 HydrophobicContact CE2-CD1 3.56Å; F35-L43 HydrophobicContact CE2-CG 4.18Å; F35-L43 HydrophobicContact CG-CB 4.45Å; F35-L43 HydrophobicContact CZ-CB 3.6Å; F35-L43 HydrophobicContact CZ-CD1 4.13Å; F35-L43 PolarHBondContact N-O 2.7Å; F35-L43 PolarHBondContact O-N 3.37Å; D37-L43 HydrophobicContact CB-CD1 3.78Å; D37-L43 HydrophobicContact CB-CG 4.21Å; I41-L43 HydrophobicContact CG2-CD2 4.37Å; I41-L43 PolarHBondContact O-N 3.41Å; L43-A66 HydrophobicContact CD1-CB 4.32Å; L43-A66 WeakPolarHBondContact CD1-O 3.34Å
44S96.1Very high96.3Very high59 Ų5944.7 Ų44.741%0.41322%0.218SC..EExtended strand (participates in β ladder)trans-145.8154178.9-52.70000113.5L33 S34L33-S44 CarbonylContact O-C 3.53Å; L33-S44 WeakPolarHBondContact O-CA 3.37Å; S34-S44 PolarHBondContact OG-OG 2.69Å
45K96.5Very high96.2Very high84 Ų8444.2 Ų44.237%0.36522%0.215SC..EExtended strand (participates in β ladder)trans-116128.5160.3-68.7-167.4171.9-161.50110.3R32 L33 E61 L91R32-K45 CarbonylContact C-O 3.45Å; R32-K45 WeakPolarHBondContact CA-O 3.3Å; L33-K45 PolarHBondContact N-O 2.63Å; L33-K45 PolarHBondContact O-N 3.04Å; K45-E61 VanDerWaalsContact CE-O 3.27Å; K45-E61 WeakPolarHBondContact CE-O 3.16Å; K45-E61 PolarHBondContact NZ-O 3.48Å; K45-L91 HydrophobicContact CD-CD1 4.34Å
46L96.8Very high96.2Very high94 Ų9444.3 Ų44.349%0.49222%0.216SC..EExtended strand (participates in β ladder)trans-90.1124.1173.1-171.872.3000109.4Y30 R32 I130Y30-L46 HydrophobicContact CD1-CD2 4.33Å; Y30-L46 HydrophobicContact CD1-CG 4.24Å; Y30-L46 HydrophobicContact CG-CD1 4.41Å; Y30-L46 HydrophobicContact CG-CD2 4.46Å; Y30-L46 HydrophobicContact CG-CG 4.41Å; R32-L46 HydrophobicContact CG-CD1 3.58Å; L46-I130 HydrophobicContact CD1-CD1 4.46Å; L46-I130 HydrophobicContact CD1-CG2 4.18Å
47L97.3Very high96.1Very high42 Ų4250.8 Ų50.822%0.2224%0.244CC..EExtended strand (participates in β ladder)trans-125.5150.1-179-61.6172000109.9Y30 I31 L33 I55 S60Y30-L47 CarbonylContact C-O 3.42Å; Y30-L47 VanDerWaalsContact CA-O 3.23Å; Y30-L47 WeakPolarHBondContact CA-O 3.26Å; Y30-L47 WeakPolarHBondContact CB-O 3.38Å; I31-L47 HydrophobicContact CG2-CB 4.22Å; I31-L47 PolarHBondContact N-O 3.39Å; I31-L47 PolarHBondContact O-N 3.23Å; L33-L47 HydrophobicContact CD1-CD1 3.49Å; L33-L47 VanDerWaalsContact CD1-CD1 3.49Å; L33-L47 HydrophobicContact CG-CD1 3.88Å; L47-I55 HydrophobicContact CB-CD1 3.95Å; L47-I55 HydrophobicContact CD1-CD1 3.69Å; L47-I55 HydrophobicContact CD1-CG1 3.81Å; L47-I55 HydrophobicContact CG-CD1 4.5Å; L47-S60 WeakPolarHBondContact CD1-OG 3.34Å
48S96.9Very high96Very high34 Ų3450.6 Ų50.624%0.23824%0.244CC..EExtended strand (participates in β ladder)trans-71.2138.8167.1173.70000109.8Q50 F51S48-Q50 PolarHBondContact O-N 3.46Å; S48-Q50 WeakPolarHBondContact OG-CG 3.42Å; S48-Q50 PolarHBondContact OG-N 3.31Å; S48-F51 PolarHBondContact O-N 3.09Å; S48-F51 VanDerWaalsContact O-N 3.11Å
49T96.3Very high95.9Very high0 Ų055.3 Ų55.30%027%0.266CS..G310 helixtrans-69.9-8.2179.356.30000113.5V25 F28 D29 I31 F51 A52 H113V25-T49 HydrophobicContact CG1-CG2 3.58Å; V25-T49 WeakPolarHBondContact O-CG2 3.14Å; F28-T49 HydrophobicContact CB-CG2 4.32Å; F28-T49 VanDerWaalsContact O-CB 3.26Å; F28-T49 WeakPolarHBondContact O-CB 3.43Å; F28-T49 WeakPolarHBondContact O-CG2 3.48Å; F28-T49 PolarHBondContact O-OG1 3.01Å; D29-T49 PolarHBondContact O-N 3.3Å; D29-T49 PolarHBondContact O-OG1 2.91Å; I31-T49 HydrophobicContact CB-CG2 4.23Å; I31-T49 HydrophobicContact CG2-CG2 4.23Å; T49-F51 PolarHBondContact O-N 3.19Å; T49-A52 WeakPolarHBondContact O-CB 3.43Å; T49-A52 PolarHBondContact O-N 2.9Å; T49-H113 PolarHBondContact OG1-CE1 3.14Å; T49-H113 PolarHBondContact OG1-NE2 2.74Å
50Q96.2Very high96Very high146 Ų14655.3 Ų55.368%0.68227%0.267SS*.G310 helixtrans-56.3-19.7165.276.7-174.9-10.100112.6S48S48-Q50 PolarHBondContact O-N 3.46Å; S48-Q50 WeakPolarHBondContact OG-CG 3.42Å; S48-Q50 PolarHBondContact OG-N 3.31Å
51F97Very high96Very high89 Ų8959 Ų5939%0.3928%0.283SS..G310 helixtrans-97.713.4175.1-56.1-61.4000113.6S48 T49 R53 K54 I55S48-F51 PolarHBondContact O-N 3.09Å; S48-F51 VanDerWaalsContact O-N 3.11Å; T49-F51 PolarHBondContact O-N 3.19Å; F51-R53 PolarHBondContact O-N 3.21Å; F51-R53 VanDerWaalsContact O-N 3.12Å; F51-K54 HydrophobicContact CD1-CD 4.43Å; F51-K54 WeakPolarHBondContact O-CA 3.21Å; F51-K54 WeakPolarHBondContact O-CB 3.49Å; F51-K54 PolarHBondContact O-N 3.5Å; F51-I55 HydrophobicContact CB-CD1 4.41Å; F51-I55 WeakPolarHBondContact O-CG1 3.31Å; F51-I55 PolarHBondContact O-N 3.44Å
52A96.8Very high96.1Very high1 Ų158.2 Ų58.21%0.00828%0.28CS..Hα-helixtrans-50.2-41.4-176.700000113I22 V25 E26 T49 K54 I55 A56I22-A52 HydrophobicContact CG2-CB 4.15Å; V25-A52 HydrophobicContact CB-CB 4.28Å; V25-A52 HydrophobicContact CG1-CB 3.87Å; E26-A52 HydrophobicContact CG-CB 3.99Å; T49-A52 WeakPolarHBondContact O-CB 3.43Å; T49-A52 PolarHBondContact O-N 2.9Å; A52-K54 PolarHBondContact O-N 3.33Å; A52-I55 PolarHBondContact O-N 3.46Å; A52-A56 WeakPolarHBondContact O-CB 3.36Å; A52-A56 PolarHBondContact O-N 3.28Å
53R96.7Very high96.1Very high125 Ų12560 Ų6047%0.47229%0.285SS..Hα-helixtrans-63.1-40.1176.2-64.5-168.8-176.9-81.5-7.9113.6E19 I22 F51 K57E19-R53 IonicContact OE1-NH1 2.63Å; E19-R53 PolarHBondContact OE1-NH1 3.13Å; E19-R53 IonicContact OE2-CZ 3.56Å; E19-R53 IonicContact OE2-NH1 3.04Å; E19-R53 PolarHBondContact OE2-NH1 3.06Å; E19-R53 IonicContact OE2-NH2 2.69Å; I22-R53 HydrophobicContact CD1-CG 4Å; I22-R53 HydrophobicContact CG1-CG 4.44Å; I22-R53 HydrophobicContact CG2-CG 4.14Å; F51-R53 PolarHBondContact O-N 3.21Å; F51-R53 VanDerWaalsContact O-N 3.12Å; R53-K57 WeakPolarHBondContact O-CG 3.16Å; R53-K57 PolarHBondContact O-N 2.72Å
54K96Very high96Very high116 Ų11658 Ų5850%0.50428%0.275SS..Hα-helixtrans-69.8-39.2176.2-65.9-167174.6-175.10111.2F51 A52 K57 G58 E59F51-K54 HydrophobicContact CD1-CD 4.43Å; F51-K54 WeakPolarHBondContact O-CA 3.21Å; F51-K54 WeakPolarHBondContact O-CB 3.49Å; F51-K54 PolarHBondContact O-N 3.5Å; A52-K54 PolarHBondContact O-N 3.33Å; K54-K57 PolarHBondContact O-N 3.39Å; K54-G58 PolarHBondContact O-N 2.96Å; K54-E59 HydrophobicContact CB-CB 4.3Å; K54-E59 WeakPolarHBondContact CG-OE2 3.22Å; K54-E59 WeakPolarHBondContact O-CB 3.42Å; K54-E59 PolarHBondContact O-N 2.94Å; K54-E59 VanDerWaalsContact O-N 3.08Å
55I96.8Very high95.9Very high2 Ų255.2 Ų55.21%0.0126%0.256CS..Hα-helixtrans-61.1-48.8175.7-66.9170.2000110.2F21 I31 L33 L47 F51 A52 K57 G58 P93F21-I55 HydrophobicContact CE1-CG2 4.17Å; F21-I55 HydrophobicContact CZ-CG2 4.2Å; I31-I55 HydrophobicContact CG2-CD1 3.39Å; L33-I55 HydrophobicContact CD1-CG2 4.35Å; L33-I55 HydrophobicContact CD2-CG2 3.64Å; L47-I55 HydrophobicContact CB-CD1 3.95Å; L47-I55 HydrophobicContact CD1-CD1 3.69Å; L47-I55 HydrophobicContact CD1-CG1 3.81Å; L47-I55 HydrophobicContact CG-CD1 4.5Å; F51-I55 HydrophobicContact CB-CD1 4.41Å; F51-I55 WeakPolarHBondContact O-CG1 3.31Å; F51-I55 PolarHBondContact O-N 3.44Å; A52-I55 PolarHBondContact O-N 3.46Å; I55-K57 PolarHBondContact O-N 2.84Å; I55-G58 WeakPolarHBondContact O-CA 3.17Å; I55-G58 PolarHBondContact O-N 3.41Å; I55-P93 WeakPolarHBondContact O-CG 3.29Å
56A96.7Very high95.8Very high6 Ų652.6 Ų52.65%0.0525%0.25CS..Hα-helixtrans-61-27.2178.400000113.4F21 I22 A52 G58 F95F21-A56 HydrophobicContact CD1-CB 3.78Å; F21-A56 HydrophobicContact CE1-CB 3.98Å; I22-A56 HydrophobicContact CD1-CB 3.93Å; I22-A56 HydrophobicContact CG1-CB 3.7Å; A52-A56 WeakPolarHBondContact O-CB 3.36Å; A52-A56 PolarHBondContact O-N 3.28Å; A56-G58 VanDerWaalsContact C-N 3.29Å; A56-F95 HydrophobicContact CB-CE1 4.41Å; A56-F95 HydrophobicContact CB-CZ 4.31Å
57K94.3Very high95.6Very high135 Ų13548.1 Ų48.159%0.58723%0.227SC*.THydrogen-bonded Turntrans-81.7-5.9173.6-69.7176.1-177.9-174.60113.6R53 K54 I55 E59R53-K57 WeakPolarHBondContact O-CG 3.16Å; R53-K57 PolarHBondContact O-N 2.72Å; K54-K57 PolarHBondContact O-N 3.39Å; I55-K57 PolarHBondContact O-N 2.84Å; K57-E59 VanDerWaalsContact C-N 3.34Å; K57-E59 HydrophobicContact CB-CG 3.86Å; K57-E59 WeakPolarHBondContact CD-OE1 3.48Å
58G94.7Very high95.5Very high1 Ų146.1 Ų46.11%0.0122%0.216CC..THydrogen-bonded Turntrans66.336.2-175.600000112.7K54 I55 A56 S60 L91K54-G58 PolarHBondContact O-N 2.96Å; I55-G58 WeakPolarHBondContact O-CA 3.17Å; I55-G58 PolarHBondContact O-N 3.41Å; A56-G58 VanDerWaalsContact C-N 3.29Å; G58-S60 VanDerWaalsContact C-N 3.33Å; G58-L91 VanDerWaalsContact CA-O 3.31Å; G58-L91 WeakPolarHBondContact CA-O 3.47Å
59E94.1Very high95.1Very high99 Ų9945 Ų4546%0.46321%0.21SC..  trans-88.3-0.4177.2-64.3175.2-169.300112.5K54 K57K54-E59 HydrophobicContact CB-CB 4.3Å; K54-E59 WeakPolarHBondContact CG-OE2 3.22Å; K54-E59 WeakPolarHBondContact O-CB 3.42Å; K54-E59 PolarHBondContact O-N 2.94Å; K54-E59 VanDerWaalsContact O-N 3.08Å; K57-E59 VanDerWaalsContact C-N 3.34Å; K57-E59 HydrophobicContact CB-CG 3.86Å; K57-E59 WeakPolarHBondContact CD-OE1 3.48Å
60S96.1Very high94.5Very high19 Ų1945.4 Ų45.413%0.13321%0.214CC..  trans-80.6136.7171-660000109.9L33 L47 G58 L91L33-S60 VanDerWaalsContact CD1-CB 3.43Å; L47-S60 WeakPolarHBondContact CD1-OG 3.34Å; G58-S60 VanDerWaalsContact C-N 3.33Å; S60-L91 PolarHBondContact O-N 2.95Å
61E96.4Very high93.7Very high84 Ų8439.4 Ų39.439%0.39319%0.188SC..EExtended strand (participates in β ladder)trans-121156.2-173.6-72.7-174172.500111.8K45 N88 S89K45-E61 VanDerWaalsContact CE-O 3.27Å; K45-E61 WeakPolarHBondContact CE-O 3.16Å; K45-E61 PolarHBondContact NZ-O 3.48Å; E61-N88 HydrophobicContact CB-CB 3.91Å; E61-N88 HydrophobicContact CG-CB 4.31Å; E61-N88 WeakPolarHBondContact OE2-CB 3.49Å; E61-N88 PolarHBondContact OE2-ND2 3.46Å; E61-S89 CarbonylContact C-O 3.29Å; E61-S89 WeakPolarHBondContact CA-O 2.97Å
62V96Very high93.1Very high12 Ų1239.3 Ų39.37%0.07319%0.185CC..EExtended strand (participates in β ladder)trans-140.8152.5169.366.10000109.9F35 S64 A66 N88 S89 L91 L137F35-V62 HydrophobicContact CZ-CB 4.38Å; F35-V62 HydrophobicContact CZ-CG1 4.04Å; F35-V62 HydrophobicContact CZ-CG2 3.99Å; V62-S64 PolarHBondContact O-N 3.34Å; V62-A66 HydrophobicContact CG2-CB 3.94Å; V62-N88 CarbonylContact O-C 3.53Å; V62-N88 WeakPolarHBondContact O-CA 3.01Å; V62-N88 WeakPolarHBondContact O-CB 3.12Å; V62-S89 PolarHBondContact N-O 3.43Å; V62-S89 PolarHBondContact O-N 3.45Å; V62-L91 HydrophobicContact CB-CD1 4.45Å; V62-L91 HydrophobicContact CG1-CD2 3.85Å; V62-L91 HydrophobicContact CG1-CG 4.14Å; V62-L137 HydrophobicContact CG1-CD2 4.37Å
63Y94.9Very high92.4Very high69 Ų6942.2 Ų42.227%0.27122%0.215SC..EExtended strand (participates in β ladder)trans-53.8126.3172169.3-125.7000110.2G65 A66 V75 I81 H86Y63-G65 VanDerWaalsContact CE1-C 3.44Å; Y63-G65 PolarHBondContact O-N 2.85Å; Y63-A66 WeakPolarHBondContact O-CB 3.31Å; Y63-A66 PolarHBondContact O-N 2.79Å; Y63-V75 HydrophobicContact CE1-CG1 4.18Å; Y63-I81 HydrophobicContact CE2-CG2 4.19Å; Y63-H86 HydrophobicContact CE2-CB 3.77Å; Y63-H86 AromaticContact CE2-ND1 3.87Å; Y63-H86 AromaticContact CZ-ND1 3.88Å; Y63-H86 PolarHBondContact OH-ND1 2.75Å
64S94.5Very high92Very high0 Ų039.5 Ų39.50%021%0.207CC..G310 helixtrans-60.1-31.5-175.3-65.80000113.5V62 A66 V87 S89 W139V62-S64 PolarHBondContact O-N 3.34Å; S64-A66 PolarHBondContact O-N 3.01Å; S64-V87 VanDerWaalsContact CB-O 3.31Å; S64-V87 WeakPolarHBondContact CB-O 3.32Å; S64-V87 PolarHBondContact N-O 3.1Å; S64-V87 PolarHBondContact OG-O 3.16Å; S64-S89 WeakPolarHBondContact CB-OG 3.47Å; S64-S89 PolarHBondContact OG-N 2.96Å; S64-S89 PolarHBondContact OG-OG 3.25Å; S64-W139 WeakPolarHBondContact OG-CZ3 3.47Å
65G93.3Very high91.5Very high1 Ų138 Ų381%0.0121%0.208CC..G310 helixtrans-79.45.6175.900000114.9Y63 I67 T68 I81Y63-G65 VanDerWaalsContact CE1-C 3.44Å; Y63-G65 PolarHBondContact O-N 2.85Å; G65-I67 PolarHBondContact O-N 2.83Å; G65-T68 PolarHBondContact O-N 2.94Å; G65-T68 PolarHBondContact O-OG1 3.31Å; G65-I81 VanDerWaalsContact CA-CD1 3.4Å
66A93.3Very high91.2Very high30 Ų3039 Ų3925%0.24821%0.212CC..G310 helixtrans-61.7-27.8175.700000112.4L43 V62 Y63 S64 T68L43-A66 HydrophobicContact CD1-CB 4.32Å; L43-A66 WeakPolarHBondContact CD1-O 3.34Å; V62-A66 HydrophobicContact CG2-CB 3.94Å; Y63-A66 WeakPolarHBondContact O-CB 3.31Å; Y63-A66 PolarHBondContact O-N 2.79Å; S64-A66 PolarHBondContact O-N 3.01Å; A66-T68 VanDerWaalsContact C-N 3.32Å
67I94.4Very high90.8Very high0 Ų044 Ų440%024%0.238CC..G310 helixtrans-82.8-6.2-179.265.6159.2000114.1F35 D37 L38 G65 L137 M145 H148 W470F35-I67 HydrophobicContact CD2-CG2 4.12Å; F35-I67 HydrophobicContact CE2-CG2 4.07Å; D37-I67 HydrophobicContact CB-CB 4.31Å; L38-I67 VanDerWaalsContact CB-O 3.31Å; L38-I67 WeakPolarHBondContact CB-O 3.17Å; L38-I67 HydrophobicContact CG-CD1 4.42Å; L38-I67 WeakPolarHBondContact CG-O 3.37Å; L38-I67 PolarHBondContact N-O 2.65Å; G65-I67 PolarHBondContact O-N 2.83Å; I67-L137 HydrophobicContact CG2-CD2 3.67Å; I67-M145 HydrophobicContact CD1-SD 3.48Å; I67-M145 WeakPolarHBondContact CD1-SD 3.26Å; I67-M145 HydrophobicContact CG1-SD 4.14Å; I67-H148 HydrophobicContact CD1-CB 4.48Å; I67-W470 HydrophobicContact CD1-CE3 4.01Å; I67-W470 HydrophobicContact CD1-CZ3 3.83Å; I67-W470 HydrophobicContact CG1-CE3 4.33Å; I67-W470 HydrophobicContact CG1-CZ3 4.05Å
68T94.6Very high90.7Very high0 Ų037.8 Ų37.80%021%0.211CC..G310 helixtrans-106.818.6-178.861.50000111.7L38 G65 A66 F76 V78 I81 W470L38-T68 HydrophobicContact CD1-CG2 3.89Å; G65-T68 PolarHBondContact O-N 2.94Å; G65-T68 PolarHBondContact O-OG1 3.31Å; A66-T68 VanDerWaalsContact C-N 3.32Å; T68-F76 WeakPolarHBondContact O-CD2 3.47Å; T68-F76 PolarHBondContact O-N 3.28Å; T68-F76 PolarHBondContact OG1-O 2.85Å; T68-V78 HydrophobicContact CG2-CG2 3.51Å; T68-I81 HydrophobicContact CG2-CD1 4.18Å; T68-W470 HydrophobicContact CG2-CD2 4.28Å; T68-W470 HydrophobicContact CG2-CE3 3.48Å; T68-W470 VanDerWaalsContact CG2-CE3 3.48Å; T68-W470 HydrophobicContact CG2-CZ3 3.97Å
69G87.7Confident90.6Very high10 Ų1042 Ų4210%0.10324%0.237CC..BIsolated β-bridgetrans-80.4154.718000000113N39 E74N39-G69 PolarHBondContact ND2-O 2.87Å; G69-E74 CarbonylContact C-O 3.44Å; G69-E74 WeakPolarHBondContact CA-O 3.46Å
70G84.2Confident90.6Very high8 Ų839.4 Ų39.48%0.08223%0.225CC..  trans-82.1163.8165.300000111.6R72 G73 E74G70-R72 PolarHBondContact O-N 3.27Å; G70-G73 PolarHBondContact O-N 2.86Å; G70-E74 VanDerWaalsContact C-OE2 3.27Å; G70-E74 VanDerWaalsContact CA-OE2 3.28Å; G70-E74 WeakPolarHBondContact CA-OE2 3.5Å; G70-E74 PolarHBondContact N-O 3.33Å
71P79.3Confident90.5Very high21 Ų2138.7 Ų38.714%0.13622%0.219CC..THydrogen-bonded Turntrans-59.5-19.8-179.724.9-34.1000113.2I41 E502 F506I41-P71 HydrophobicContact CD1-CB 4.09Å; P71-E502 WeakPolarHBondContact CG-OE2 3.39Å; P71-F506 HydrophobicContact CB-CB 3.96Å; P71-F506 HydrophobicContact CB-CD1 4.28Å; P71-F506 HydrophobicContact CB-CD2 3.63Å; P71-F506 HydrophobicContact CB-CE2 4.17Å; P71-F506 HydrophobicContact CB-CG 3.67Å; P71-F506 WeakPolarHBondContact O-CD1 3.29Å; P71-F506 WeakPolarHBondContact O-CE1 3.43Å; P71-F506 WeakPolarHBondContact O-CZ 3.46Å
72R84.6Confident90.4Very high86 Ų8638.3 Ų38.333%0.32522%0.219SC..THydrogen-bonded Turntrans-103.315.5179.9-53.3-56.1-151.3161.23.7113.7G70 E74 Y501G70-R72 PolarHBondContact O-N 3.27Å; R72-E74 VanDerWaalsContact C-OE2 3.32Å; R72-E74 WeakPolarHBondContact CA-OE2 3.43Å; R72-E74 WeakPolarHBondContact CB-OE1 3.49Å; R72-E74 WeakPolarHBondContact CB-OE2 3.28Å; R72-E74 PolarHBondContact N-OE2 3.2Å; R72-Y501 HydrophobicContact CG-CE1 3.83Å; R72-Y501 PolarHBondContact NE-O 3.06Å; R72-Y501 VanDerWaalsContact NH2-C 3.35Å; R72-Y501 PolarHBondContact NH2-O 3.49Å
73G81.1Confident90.3Very high62 Ų6245.5 Ų45.564%0.63925%0.25SC*.SBendtrans83.115.317800000113.7G70G70-G73 PolarHBondContact O-N 2.86Å
74E88.2Confident90.3Very high68 Ų6845.8 Ų45.832%0.31825%0.25SS..  trans-55.4146.1161.8-58.486170.300109.4G69 G70 R72 F76G69-E74 CarbonylContact C-O 3.44Å; G69-E74 WeakPolarHBondContact CA-O 3.46Å; G70-E74 VanDerWaalsContact C-OE2 3.27Å; G70-E74 VanDerWaalsContact CA-OE2 3.28Å; G70-E74 WeakPolarHBondContact CA-OE2 3.5Å; G70-E74 PolarHBondContact N-O 3.33Å; R72-E74 VanDerWaalsContact C-OE2 3.32Å; R72-E74 WeakPolarHBondContact CA-OE2 3.43Å; R72-E74 WeakPolarHBondContact CB-OE1 3.49Å; R72-E74 WeakPolarHBondContact CB-OE2 3.28Å; R72-E74 PolarHBondContact N-OE2 3.2Å; E74-F76 HydrophobicContact CB-CE1 3.83Å; E74-F76 HydrophobicContact CB-CE2 4.48Å; E74-F76 HydrophobicContact CB-CZ 3.72Å; E74-F76 HydrophobicContact CG-CE1 4.44Å; E74-F76 HydrophobicContact CG-CZ 4.33Å
75V85.7Confident90.4Very high85 Ų8554.5 Ų54.552%0.51529%0.288SS..BIsolated β-bridgetrans-122.3118.6171.71790000106.6Y63Y63-V75 HydrophobicContact CE1-CG1 4.18Å
76F90.8Very high90.4Very high22 Ų2258.6 Ų58.610%0.09631%0.307CS..  trans-91.6134.9178.3-53.4-56.2000111.2T68 E74 V78 L473 V474 L477T68-F76 WeakPolarHBondContact O-CD2 3.47Å; T68-F76 PolarHBondContact O-N 3.28Å; T68-F76 PolarHBondContact OG1-O 2.85Å; E74-F76 HydrophobicContact CB-CE1 3.83Å; E74-F76 HydrophobicContact CB-CE2 4.48Å; E74-F76 HydrophobicContact CB-CZ 3.72Å; E74-F76 HydrophobicContact CG-CE1 4.44Å; E74-F76 HydrophobicContact CG-CZ 4.33Å; F76-V78 PolarHBondContact O-N 2.94Å; F76-L473 HydrophobicContact CB-CD2 3.45Å; F76-L473 VanDerWaalsContact CB-CD2 3.45Å; F76-L473 HydrophobicContact CG-CD2 4.28Å; F76-V474 HydrophobicContact CD2-CB 4.46Å; F76-V474 HydrophobicContact CD2-CG1 4.49Å; F76-V474 HydrophobicContact CD2-CG2 4.18Å; F76-V474 HydrophobicContact CE2-CG1 4.37Å; F76-L477 HydrophobicContact CB-CD1 4.16Å; F76-L477 HydrophobicContact CD1-CB 3.58Å; F76-L477 HydrophobicContact CD1-CD1 4.18Å; F76-L477 HydrophobicContact CE1-CB 3.79Å; F76-L477 HydrophobicContact CG-CB 4.03Å; F76-L477 HydrophobicContact CG-CD1 4.35Å; F76-L477 HydrophobicContact CZ-CB 4.4Å
77D88.6Confident90.5Very high112 Ų11259.6 Ų59.660%0.59931%0.31SS*.  trans-71.8109.3-178.8-85.4-18000111I82D77-I82 HydrophobicContact CB-CD1 3.8Å
78V92.5Very high90.6Very high4 Ų462.8 Ų62.82%0.02433%0.327CS..  trans-103.5127.2176.4171.90000110.2T68 F76 E80 I81 I82 W470 L473T68-V78 HydrophobicContact CG2-CG2 3.51Å; F76-V78 PolarHBondContact O-N 2.94Å; V78-E80 VanDerWaalsContact C-N 3.29Å; V78-E80 PolarHBondContact O-N 3.46Å; V78-I81 HydrophobicContact CB-CB 4.29Å; V78-I81 HydrophobicContact CB-CD1 3.82Å; V78-I81 HydrophobicContact CB-CG1 4.27Å; V78-I81 HydrophobicContact CG1-CD1 4.15Å; V78-I81 HydrophobicContact CG1-CG1 4.32Å; V78-I81 HydrophobicContact CG2-CD1 4.33Å; V78-I81 PolarHBondContact O-N 3.16Å; V78-I82 PolarHBondContact O-N 2.91Å; V78-W470 HydrophobicContact CG1-CD2 3.71Å; V78-W470 HydrophobicContact CG1-CE3 4.36Å; V78-W470 HydrophobicContact CG1-CG 4.07Å; V78-W470 HydrophobicContact CG1-CH2 4.34Å; V78-W470 HydrophobicContact CG1-CZ2 3.7Å; V78-W470 HydrophobicContact CG2-CD2 4.41Å; V78-L473 HydrophobicContact CG2-CD1 4.25Å; V78-L473 HydrophobicContact CG2-CD2 4.04Å
79T92.7Very high90.7Very high89 Ų8962.8 Ų62.855%0.54633%0.327SS..Hα-helixtrans-52.8-42.9-175.2-66.90000112.9I82 K83T79-I82 PolarHBondContact O-N 3.48Å; T79-K83 HydrophobicContact CG2-CD 3.84Å; T79-K83 VanDerWaalsContact CG2-CE 3.4Å; T79-K83 HydrophobicContact CG2-CG 4.32Å; T79-K83 WeakPolarHBondContact O-CB 3.5Å; T79-K83 VanDerWaalsContact O-CG 3.23Å; T79-K83 WeakPolarHBondContact O-CG 3.39Å; T79-K83 PolarHBondContact O-N 3.12Å
80E94.1Very high91.2Very high46 Ų4664.3 Ų64.322%0.21533%0.331CS..Hα-helixtrans-67.4-40.5179.3-176.8170.5-173.400112.4V78 K83 R84 W139 W470V78-E80 VanDerWaalsContact C-N 3.29Å; V78-E80 PolarHBondContact O-N 3.46Å; E80-K83 PolarHBondContact O-N 3.33Å; E80-R84 HydrophobicContact CG-CG 4.42Å; E80-R84 WeakPolarHBondContact O-CB 3.44Å; E80-R84 VanDerWaalsContact O-CG 3.29Å; E80-R84 WeakPolarHBondContact O-CG 3.29Å; E80-R84 PolarHBondContact O-N 2.94Å; E80-R84 IonicContact OE1-CZ 3.3Å; E80-R84 VanDerWaalsContact OE1-CZ 3.3Å; E80-R84 IonicContact OE1-NE 2.91Å; E80-R84 PolarHBondContact OE1-NE 3.44Å; E80-R84 IonicContact OE1-NH2 2.82Å; E80-R84 PolarHBondContact OE1-NH2 3.36Å; E80-W139 HydrophobicContact CG-CH2 4.25Å; E80-W139 HydrophobicContact CG-CZ2 4.08Å; E80-W139 WeakPolarHBondContact OE1-CZ2 3.3Å; E80-W470 HydrophobicContact CB-CZ2 4.04Å; E80-W470 HydrophobicContact CG-CZ2 4.46Å
81I93.6Very high91.9Very high3 Ų363.9 Ų63.92%0.01533%0.327CS..Hα-helixtrans-63.5-43.4177-69.6163.6000110.4Y63 G65 T68 V78 R84 K85 H86 W139 W470Y63-I81 HydrophobicContact CE2-CG2 4.19Å; G65-I81 VanDerWaalsContact CA-CD1 3.4Å; T68-I81 HydrophobicContact CG2-CD1 4.18Å; V78-I81 HydrophobicContact CB-CB 4.29Å; V78-I81 HydrophobicContact CB-CD1 3.82Å; V78-I81 HydrophobicContact CB-CG1 4.27Å; V78-I81 HydrophobicContact CG1-CD1 4.15Å; V78-I81 HydrophobicContact CG1-CG1 4.32Å; V78-I81 HydrophobicContact CG2-CD1 4.33Å; V78-I81 PolarHBondContact O-N 3.16Å; I81-R84 CarbonylContact O-C 3.57Å; I81-R84 PolarHBondContact O-N 2.91Å; I81-K85 PolarHBondContact O-N 3.03Å; I81-K85 VanDerWaalsContact O-N 3.15Å; I81-H86 PolarHBondContact O-N 2.9Å; I81-W139 HydrophobicContact CG1-CH2 4.33Å; I81-W470 HydrophobicContact CD1-CE3 4.44Å; I81-W470 HydrophobicContact CD1-CH2 3.65Å; I81-W470 HydrophobicContact CD1-CZ2 4.39Å; I81-W470 HydrophobicContact CD1-CZ3 3.68Å; I81-W470 HydrophobicContact CG1-CH2 3.75Å; I81-W470 HydrophobicContact CG1-CZ2 4.29Å; I81-W470 HydrophobicContact CG1-CZ3 4.31Å
82I94.3Very high92.7Very high76 Ų7665.7 Ų65.739%0.3933%0.332SS..Hα-helixtrans-63.5-47.4176.1-66.2168.3000110.8D77 V78 T79 R84 K85D77-I82 HydrophobicContact CB-CD1 3.8Å; V78-I82 PolarHBondContact O-N 2.91Å; T79-I82 PolarHBondContact O-N 3.48Å; I82-R84 PolarHBondContact O-N 3.24Å; I82-K85 WeakPolarHBondContact O-CA 3.34Å; I82-K85 PolarHBondContact O-N 2.93Å
83K95Very high93.4Very high163 Ų16362.4 Ų62.471%0.70932%0.322SS*.Hα-helixtrans-59.6-35.8177.4-78.2175179.3174.10112.1T79 E80 K85T79-K83 HydrophobicContact CG2-CD 3.84Å; T79-K83 VanDerWaalsContact CG2-CE 3.4Å; T79-K83 HydrophobicContact CG2-CG 4.32Å; T79-K83 WeakPolarHBondContact O-CB 3.5Å; T79-K83 VanDerWaalsContact O-CG 3.23Å; T79-K83 WeakPolarHBondContact O-CG 3.39Å; T79-K83 PolarHBondContact O-N 3.12Å; E80-K83 PolarHBondContact O-N 3.33Å; K83-K85 PolarHBondContact O-N 3.39Å
84R94.6Very high94.1Very high76 Ų7661 Ų6129%0.28730%0.3SS..THydrogen-bonded Turntrans-82.38174-65.1176.5-179.1-98.55.7113.1E80 I81 I82 H86 V87E80-R84 HydrophobicContact CG-CG 4.42Å; E80-R84 WeakPolarHBondContact O-CB 3.44Å; E80-R84 VanDerWaalsContact O-CG 3.29Å; E80-R84 WeakPolarHBondContact O-CG 3.29Å; E80-R84 PolarHBondContact O-N 2.94Å; E80-R84 IonicContact OE1-CZ 3.3Å; E80-R84 VanDerWaalsContact OE1-CZ 3.3Å; E80-R84 IonicContact OE1-NE 2.91Å; E80-R84 PolarHBondContact OE1-NE 3.44Å; E80-R84 IonicContact OE1-NH2 2.82Å; E80-R84 PolarHBondContact OE1-NH2 3.36Å; I81-R84 CarbonylContact O-C 3.57Å; I81-R84 PolarHBondContact O-N 2.91Å; I82-R84 PolarHBondContact O-N 3.24Å; R84-H86 PolarHBondContact O-N 3.47Å; R84-V87 HydrophobicContact CB-CG2 3.81Å; R84-V87 WeakPolarHBondContact O-CG1 3.43Å
85K95.2Very high94.5Very high182 Ų18259.7 Ų59.779%0.79129%0.293SS*.THydrogen-bonded Turntrans56.943.2177.8-56.1179.7179.4179.10113.8I81 I82 K83 V87I81-K85 PolarHBondContact O-N 3.03Å; I81-K85 VanDerWaalsContact O-N 3.15Å; I82-K85 WeakPolarHBondContact O-CA 3.34Å; I82-K85 PolarHBondContact O-N 2.93Å; K83-K85 PolarHBondContact O-N 3.39Å; K85-V87 PolarHBondContact O-N 2.99Å
86H93.4Very high95Very high88 Ų8860.2 Ų60.241%0.40730%0.301SS..THydrogen-bonded Turntrans57.233.6173.9-57.5-86.5000113.9Y63 I81 R84Y63-H86 HydrophobicContact CE2-CB 3.77Å; Y63-H86 AromaticContact CE2-ND1 3.87Å; Y63-H86 AromaticContact CZ-ND1 3.88Å; Y63-H86 PolarHBondContact OH-ND1 2.75Å; I81-H86 PolarHBondContact O-N 2.9Å; R84-H86 PolarHBondContact O-N 3.47Å
87V95.8Very high95.3Very high51 Ų5159.8 Ų59.831%0.30930%0.3SS..PPolyproline II helixtrans-55.9160.2175.7-73.50000111.9S64 R84 K85 W139 P140S64-V87 VanDerWaalsContact CB-O 3.31Å; S64-V87 WeakPolarHBondContact CB-O 3.32Å; S64-V87 PolarHBondContact N-O 3.1Å; S64-V87 PolarHBondContact OG-O 3.16Å; R84-V87 HydrophobicContact CB-CG2 3.81Å; R84-V87 WeakPolarHBondContact O-CG1 3.43Å; K85-V87 PolarHBondContact O-N 2.99Å; V87-W139 HydrophobicContact CG2-CE3 4.29Å; V87-W139 HydrophobicContact CG2-CZ3 4.3Å; V87-P140 HydrophobicContact CB-CG 4.1Å; V87-P140 HydrophobicContact CG2-CG 4.23Å
88N96.9Very high95.7Very high67 Ų6756.4 Ų56.436%0.35828%0.282SS..EExtended strand (participates in β ladder)trans-78.4151.1166.1-68.4-21.2000111E61 V62 P140E61-N88 HydrophobicContact CB-CB 3.91Å; E61-N88 HydrophobicContact CG-CB 4.31Å; E61-N88 WeakPolarHBondContact OE2-CB 3.49Å; E61-N88 PolarHBondContact OE2-ND2 3.46Å; V62-N88 CarbonylContact O-C 3.53Å; V62-N88 WeakPolarHBondContact O-CA 3.01Å; V62-N88 WeakPolarHBondContact O-CB 3.12Å; N88-P140 WeakPolarHBondContact O-CD 3.21Å; N88-P140 WeakPolarHBondContact O-CG 3.31Å
89S97.1Very high96Very high0 Ų056.8 Ų56.80%028%0.283CS..EExtended strand (participates in β ladder)trans-97.9145.9163.6-74.40000110.5E61 V62 S64 A138 M145E61-S89 CarbonylContact C-O 3.29Å; E61-S89 WeakPolarHBondContact CA-O 2.97Å; V62-S89 PolarHBondContact N-O 3.43Å; V62-S89 PolarHBondContact O-N 3.45Å; S64-S89 WeakPolarHBondContact CB-OG 3.47Å; S64-S89 PolarHBondContact OG-N 2.96Å; S64-S89 PolarHBondContact OG-OG 3.25Å; S89-A138 CarbonylContact C-O 3.5Å; S89-A138 WeakPolarHBondContact CA-O 3.19Å; S89-A138 WeakPolarHBondContact CB-O 3.48Å; S89-A138 PolarHBondContact OG-O 2.99Å; S89-M145 WeakPolarHBondContact OG-CE 3.49Å
90K97.7Very high96.1Very high41 Ų4153.5 Ų53.518%0.17826%0.263CS..EExtended strand (participates in β ladder)trans-76.3138.2169.5-64.1-179.1-171.71700109.7K92 A138 P140 D142K90-K92 HydrophobicContact CB-CD 4.4Å; K90-A138 PolarHBondContact N-O 3Å; K90-A138 PolarHBondContact O-N 2.8Å; K90-P140 WeakPolarHBondContact CE-O 3.36Å; K90-P140 PolarHBondContact NZ-O 3.06Å; K90-D142 VanDerWaalsContact CD-OD1 3.25Å; K90-D142 WeakPolarHBondContact CD-OD1 3.48Å; K90-D142 IonicContact NZ-OD1 2.81Å; K90-D142 PolarHBondContact NZ-OD1 2.55Å; K90-D142 IonicContact NZ-OD2 3.85Å; K90-D142 PolarHBondContact NZ-OD2 3.23Å
91L98Very high96.2Very high0 Ų051.5 Ų51.50%025%0.254CS..EExtended strand (participates in β ladder)trans-88.7113.2169.1-67.2171.4000108.4L33 F35 K45 G58 S60 V62 P93 C135 L137L33-L91 HydrophobicContact CB-CD1 4.05Å; L33-L91 HydrophobicContact CD1-CB 4.35Å; L33-L91 HydrophobicContact CD1-CD1 4Å; F35-L91 HydrophobicContact CD1-CD2 3.5Å; F35-L91 HydrophobicContact CE1-CD1 4.29Å; F35-L91 HydrophobicContact CE1-CD2 3.61Å; F35-L91 HydrophobicContact CG-CD2 4.17Å; F35-L91 HydrophobicContact CZ-CD2 4.32Å; K45-L91 HydrophobicContact CD-CD1 4.34Å; G58-L91 VanDerWaalsContact CA-O 3.31Å; G58-L91 WeakPolarHBondContact CA-O 3.47Å; S60-L91 PolarHBondContact O-N 2.95Å; V62-L91 HydrophobicContact CB-CD1 4.45Å; V62-L91 HydrophobicContact CG1-CD2 3.85Å; V62-L91 HydrophobicContact CG1-CG 4.14Å; L91-P93 WeakPolarHBondContact O-CD 3.48Å; L91-C135 HydrophobicContact CB-CB 4.14Å; L91-C135 HydrophobicContact CD2-CB 4.02Å; L91-L137 HydrophobicContact CD2-CD1 3.76Å; L91-L137 HydrophobicContact CD2-CG 4.41Å
92K97.5Very high96.1Very high58 Ų5853.3 Ų53.325%0.25226%0.263SS..EExtended strand (participates in β ladder)trans-99102178.9-60.5-54.8-170.8-179.30109.2K90 D94 C135 D136 A138 D142K90-K92 HydrophobicContact CB-CD 4.4Å; K92-D94 PolarHBondContact O-N 2.95Å; K92-C135 CarbonylContact O-C 3.46Å; K92-C135 VanDerWaalsContact O-CA 3.27Å; K92-C135 WeakPolarHBondContact O-CA 3.46Å; K92-D136 HydrophobicContact CB-CB 4.44Å; K92-D136 PolarHBondContact N-O 3.01Å; K92-D136 PolarHBondContact O-N 3.37Å; K92-A138 HydrophobicContact CG-CB 3.98Å; K92-D142 WeakPolarHBondContact CE-OD1 3.43Å; K92-D142 IonicContact NZ-OD1 3.75Å; K92-D142 PolarHBondContact NZ-OD1 3.38Å
93P97.9Very high95.9Very high18 Ų1850 Ų5012%0.11725%0.245CC..EExtended strand (participates in β ladder)trans-65.9132.6-177.627.5-36.3000111.5F21 I55 L91 F95 V133F21-P93 HydrophobicContact CZ-CB 4.37Å; I55-P93 WeakPolarHBondContact O-CG 3.29Å; L91-P93 WeakPolarHBondContact O-CD 3.48Å; P93-F95 HydrophobicContact CB-CD1 4.13Å; P93-F95 HydrophobicContact CB-CE1 4.01Å; P93-F95 HydrophobicContact CG-CD1 4.13Å; P93-F95 HydrophobicContact CG-CE1 3.51Å; P93-F95 HydrophobicContact CG-CZ 4.35Å; P93-F95 PolarHBondContact O-N 3.38Å; P93-V133 HydrophobicContact CB-CG1 3.91Å; P93-V133 HydrophobicContact CB-CG2 3.96Å
94D97.1Very high95.7Very high32 Ų3243.6 Ų43.617%0.17122%0.218CC..  trans-87.994.6169.7-165.6-32.6000108.5K92 S96 T97 V133 L134 R150 K154K92-D94 PolarHBondContact O-N 2.95Å; D94-S96 PolarHBondContact O-N 3.35Å; D94-S96 PolarHBondContact OD1-N 3.29Å; D94-S96 PolarHBondContact OD1-OG 3.01Å; D94-T97 HydrophobicContact CB-CG2 4.03Å; D94-T97 WeakPolarHBondContact O-CB 3.38Å; D94-T97 PolarHBondContact O-N 3.31Å; D94-T97 PolarHBondContact O-OG1 3.05Å; D94-V133 WeakPolarHBondContact O-CG2 3.48Å; D94-L134 PolarHBondContact N-O 3.1Å; D94-R150 IonicContact OD2-NH2 3.73Å; D94-R150 PolarHBondContact OD2-NH2 3.07Å; D94-K154 IonicContact OD2-NZ 2.55Å; D94-K154 PolarHBondContact OD2-NZ 3.44Å; D94-K154 VanDerWaalsContact OD2-NZ 3.1Å
95F97.2Very high95.3Very high40 Ų4040.7 Ų40.718%0.17521%0.21CC..G310 helixtrans-56.9-24.1-171.8-55.6-35.7000114.2V17 K18 F21 A56 P93 T97 L98V17-F95 HydrophobicContact CG1-CD2 3.74Å; K18-F95 HydrophobicContact CB-CE2 4.38Å; K18-F95 HydrophobicContact CG-CE2 3.5Å; K18-F95 HydrophobicContact CG-CZ 3.74Å; F21-F95 HydrophobicContact CB-CB 4.3Å; F21-F95 HydrophobicContact CB-CD1 3.88Å; F21-F95 HydrophobicContact CB-CD2 4.4Å; F21-F95 HydrophobicContact CB-CE1 4.23Å; F21-F95 HydrophobicContact CB-CG 3.95Å; F21-F95 AromaticContact CD1-CD1 3.72Å; F21-F95 HydrophobicContact CD1-CD1 3.72Å; F21-F95 AromaticContact CD1-CE1 3.53Å; F21-F95 HydrophobicContact CD1-CE1 3.53Å; F21-F95 HydrophobicContact CD1-CZ 4.32Å; F21-F95 HydrophobicContact CD2-CB 3.97Å; F21-F95 AromaticContact CD2-CD1 3.29Å; F21-F95 HydrophobicContact CD2-CD1 3.29Å; F21-F95 HydrophobicContact CD2-CE1 4.01Å; F21-F95 AromaticContact CD2-CG 3.89Å; F21-F95 HydrophobicContact CD2-CG 3.89Å; F21-F95 HydrophobicContact CE1-CD1 4.03Å; F21-F95 AromaticContact CE1-CE1 3.78Å; F21-F95 HydrophobicContact CE1-CE1 3.78Å; F21-F95 AromaticContact CE2-CD1 3.63Å; F21-F95 HydrophobicContact CE2-CD1 3.63Å; F21-F95 HydrophobicContact CE2-CE1 4.22Å; F21-F95 HydrophobicContact CG-CB 4.35Å; F21-F95 AromaticContact CG-CD1 3.33Å; F21-F95 HydrophobicContact CG-CD1 3.33Å; F21-F95 AromaticContact CG-CE1 3.65Å; F21-F95 HydrophobicContact CG-CE1 3.65Å; F21-F95 AromaticContact CG-CG 3.9Å; F21-F95 HydrophobicContact CG-CG 3.9Å; F21-F95 HydrophobicContact CG-CZ 4.46Å; F21-F95 AromaticContact CZ-CD1 3.98Å; F21-F95 HydrophobicContact CZ-CD1 3.98Å; F21-F95 HydrophobicContact CZ-CE1 4.1Å; A56-F95 HydrophobicContact CB-CE1 4.41Å; A56-F95 HydrophobicContact CB-CZ 4.31Å; P93-F95 HydrophobicContact CB-CD1 4.13Å; P93-F95 HydrophobicContact CB-CE1 4.01Å; P93-F95 HydrophobicContact CG-CD1 4.13Å; P93-F95 HydrophobicContact CG-CE1 3.51Å; P93-F95 HydrophobicContact CG-CZ 4.35Å; P93-F95 PolarHBondContact O-N 3.38Å; F95-T97 PolarHBondContact O-N 3.23Å; F95-L98 PolarHBondContact O-N 2.94Å
96S94.8Very high94.5Very high96 Ų9634.7 Ų34.767%0.67119%0.186SC*.G310 helixtrans-66.4-17.2177.272.90000113.3D94D94-S96 PolarHBondContact O-N 3.35Å; D94-S96 PolarHBondContact OD1-N 3.29Å; D94-S96 PolarHBondContact OD1-OG 3.01Å
97T97.6Very high93Very high13 Ų1332.2 Ų32.28%0.0819%0.185CC..G310 helixtrans-101.76.6-176.6700000113.4D94 F95 H99 V133 L134 D267D94-T97 HydrophobicContact CB-CG2 4.03Å; D94-T97 WeakPolarHBondContact O-CB 3.38Å; D94-T97 PolarHBondContact O-N 3.31Å; D94-T97 PolarHBondContact O-OG1 3.05Å; F95-T97 PolarHBondContact O-N 3.23Å; T97-H99 PolarHBondContact O-N 2.65Å; T97-H99 PolarHBondContact O-ND1 2.79Å; T97-V133 WeakPolarHBondContact OG1-CG2 3.42Å; T97-L134 HydrophobicContact CG2-CB 4.14Å; T97-L134 HydrophobicContact CG2-CD1 4.05Å; T97-L134 HydrophobicContact CG2-CG 4.28Å; T97-L134 WeakPolarHBondContact OG1-CB 3.48Å; T97-L134 PolarHBondContact OG1-N 3.29Å; T97-D267 VanDerWaalsContact CG2-OD2 3.29Å; T97-D267 WeakPolarHBondContact CG2-OD2 3.35Å
98L97.9Very high91.1Very high41 Ų4140.2 Ų40.222%0.21522%0.216CC..  trans-62.7122.4176.6177.465.6000109.8F21 E24 V25 I31 F95 C131 A132F21-L98 HydrophobicContact CD2-CB 4.39Å; F21-L98 HydrophobicContact CD2-CD2 3.98Å; F21-L98 HydrophobicContact CE2-CB 4.32Å; F21-L98 HydrophobicContact CE2-CD1 4.19Å; F21-L98 HydrophobicContact CE2-CD2 4.23Å; F21-L98 HydrophobicContact CE2-CG 4.48Å; E24-L98 HydrophobicContact CB-CD2 3.54Å; V25-L98 HydrophobicContact CG2-CD1 3.87Å; V25-L98 HydrophobicContact CG2-CD2 3.98Å; I31-L98 HydrophobicContact CD1-CD1 4.39Å; F95-L98 PolarHBondContact O-N 2.94Å; L98-C131 HydrophobicContact CD1-CB 4.12Å; L98-A132 WeakPolarHBondContact CA-O 3.49Å
99H97Very high88.9Confident13 Ų1337.7 Ų37.76%0.0620%0.204CC..EExtended strand (participates in β ladder)trans-142.3150.7178.859.5-81.2000111.8T97 W103 C131 A132 A237T97-H99 PolarHBondContact O-N 2.65Å; T97-H99 PolarHBondContact O-ND1 2.79Å; H99-W103 AromaticContact CD2-CH2 3.93Å; H99-C131 CarbonylContact O-C 3.51Å; H99-C131 VanDerWaalsContact O-CA 3.29Å; H99-C131 WeakPolarHBondContact O-CA 3.01Å; H99-C131 WeakPolarHBondContact O-CB 3.35Å; H99-A132 PolarHBondContact N-O 3.46Å; H99-A132 PolarHBondContact ND1-O 2.93Å; H99-A132 PolarHBondContact O-N 3.04Å; H99-A237 HydrophobicContact CB-CB 3.71Å
100P96.2Very high86.9Confident20 Ų2044.4 Ų44.413%0.1324%0.235CC..EExtended strand (participates in β ladder)trans-71.9147.9171.430.5-34.3000111.1F28 H102 W103 L236F28-P100 HydrophobicContact CE1-CB 3.9Å; F28-P100 HydrophobicContact CZ-CB 3.87Å; P100-H102 VanDerWaalsContact CB-NE2 3.32Å; P100-H102 WeakPolarHBondContact CB-NE2 3.44Å; P100-W103 WeakPolarHBondContact O-CZ3 3.47Å; P100-L236 VanDerWaalsContact CD-O 3.27Å; P100-L236 WeakPolarHBondContact CD-O 3.39Å; P100-L236 HydrophobicContact CG-CB 3.98Å; P100-L236 VanDerWaalsContact CG-O 3.31Å; P100-L236 WeakPolarHBondContact CG-O 3.44Å
101C95.2Very high84.8Confident3 Ų347.5 Ų47.52%0.0225%0.25CC..  trans-117.363.7172.2-52.40000109.7W103 I104 S105 I130 A132C101-W103 HydrophobicContact CB-CD2 4.42Å; C101-W103 HydrophobicContact CB-CE3 4.49Å; C101-W103 HydrophobicContact CB-CH2 4.14Å; C101-W103 HydrophobicContact CB-CZ2 3.95Å; C101-W103 HydrophobicContact CB-CZ3 4.4Å; C101-W103 PolarHBondContact O-N 3.47Å; C101-I104 HydrophobicContact CB-CD1 3.48Å; C101-I104 VanDerWaalsContact CB-CD1 3.48Å; C101-I104 HydrophobicContact CB-CG1 3.47Å; C101-I104 VanDerWaalsContact CB-CG1 3.47Å; C101-I104 WeakPolarHBondContact O-CG1 3.41Å; C101-I104 PolarHBondContact O-N 2.93Å; C101-I104 VanDerWaalsContact O-N 3.12Å; C101-S105 PolarHBondContact O-N 3.45Å; C101-S105 PolarHBondContact O-OG 2.88Å; C101-I130 WeakPolarHBondContact CA-O 3.45Å; C101-I130 HydrophobicContact CB-CB 4.43Å; C101-I130 HydrophobicContact CB-CG2 4.34Å; C101-I130 PolarHBondContact N-O 3.47Å; C101-A132 VanDerWaalsContact SG-CB 3.51Å
102H91Very high82.1Confident42 Ų4248.3 Ų48.319%0.19426%0.256CS..G310 helixtrans-62.2-30.6-178.4-64.2-58.7000112.2P100 I104 S105 Q110 L236P100-H102 VanDerWaalsContact CB-NE2 3.32Å; P100-H102 WeakPolarHBondContact CB-NE2 3.44Å; H102-I104 PolarHBondContact O-N 3.39Å; H102-S105 PolarHBondContact O-N 3.43Å; H102-S105 VanDerWaalsContact O-N 3.15Å; H102-Q110 PolarHBondContact CE1-O 3.33Å; H102-L236 VanDerWaalsContact CD2-CD1 3.44Å; H102-L236 WeakPolarHBondContact CD2-CD1 3.4Å
103W90.9Very high79.6Confident7 Ų750.5 Ų50.53%0.02727%0.267CS..G310 helixtrans-65.3-4.4175.167.891.1000115H99 P100 C101 N233 M234 A275 E278 I279 K282H99-W103 AromaticContact CD2-CH2 3.93Å; P100-W103 WeakPolarHBondContact O-CZ3 3.47Å; C101-W103 HydrophobicContact CB-CD2 4.42Å; C101-W103 HydrophobicContact CB-CE3 4.49Å; C101-W103 HydrophobicContact CB-CH2 4.14Å; C101-W103 HydrophobicContact CB-CZ2 3.95Å; C101-W103 HydrophobicContact CB-CZ3 4.4Å; C101-W103 PolarHBondContact O-N 3.47Å; W103-N233 HydrophobicContact CD2-CB 4.44Å; W103-N233 HydrophobicContact CE3-CB 3.55Å; W103-N233 HydrophobicContact CZ3-CB 4.02Å; W103-N233 PolarHBondContact N-OD1 3.09Å; W103-M234 HydrophobicContact CE3-CE 4.35Å; W103-M234 HydrophobicContact CH2-CE 3.71Å; W103-M234 HydrophobicContact CZ2-CE 4.42Å; W103-M234 HydrophobicContact CZ3-CE 3.67Å; W103-A275 HydrophobicContact CD2-CB 4.49Å; W103-A275 HydrophobicContact CH2-CB 4.17Å; W103-A275 HydrophobicContact CZ2-CB 3.71Å; W103-E278 PolarHBondContact NE1-OE2 3.29Å; W103-I279 HydrophobicContact CB-CD1 4.14Å; W103-I279 HydrophobicContact CB-CG1 3.59Å; W103-I279 HydrophobicContact CG-CD1 4.22Å; W103-I279 HydrophobicContact CG-CG1 3.81Å; W103-K282 WeakPolarHBondContact O-CE 3.25Å; W103-K282 PolarHBondContact O-NZ 2.94Å
104I90Very high76.9Confident27 Ų2755.9 Ų55.914%0.13829%0.294CS..G310 helixtrans-125.9-6.9170.353171.8000112.9C101 H102 Y128 I130 E278C101-I104 HydrophobicContact CB-CD1 3.48Å; C101-I104 VanDerWaalsContact CB-CD1 3.48Å; C101-I104 HydrophobicContact CB-CG1 3.47Å; C101-I104 VanDerWaalsContact CB-CG1 3.47Å; C101-I104 WeakPolarHBondContact O-CG1 3.41Å; C101-I104 PolarHBondContact O-N 2.93Å; C101-I104 VanDerWaalsContact O-N 3.12Å; H102-I104 PolarHBondContact O-N 3.39Å; I104-Y128 WeakPolarHBondContact O-CE2 3.14Å; I104-Y128 PolarHBondContact O-OH 2.97Å; I104-Y128 VanDerWaalsContact O-OH 3.14Å; I104-I130 HydrophobicContact CD1-CB 4.07Å; I104-I130 HydrophobicContact CD1-CD1 3.89Å; I104-I130 HydrophobicContact CD1-CG2 3.8Å; I104-I130 HydrophobicContact CG1-CB 4.24Å; I104-I130 HydrophobicContact CG1-CD1 4.12Å; I104-E278 HydrophobicContact CG2-CB 4.17Å; I104-E278 HydrophobicContact CG2-CG 4.39Å; I104-E278 WeakPolarHBondContact CG2-OE2 3.46Å
105S86.9Confident74Confident15 Ų1561.7 Ų61.711%0.10533%0.326CS..  trans-68.7150.2172.5-60.70000109.7C101 H102 Y128 I130C101-S105 PolarHBondContact O-N 3.45Å; C101-S105 PolarHBondContact O-OG 2.88Å; H102-S105 PolarHBondContact O-N 3.43Å; H102-S105 VanDerWaalsContact O-N 3.15Å; S105-Y128 WeakPolarHBondContact CA-O 3.33Å; S105-Y128 WeakPolarHBondContact CB-O 3.44Å; S105-I130 PolarHBondContact OG-N 3.21Å
106N79.3Confident71.5Confident56 Ų5662.7 Ų62.730%0.29933%0.333SS..BIsolated β-bridgetrans-112.5139.2-179.5-168.822.8000111.6R124 R126 K127 Y128N106-R124 PolarHBondContact ND2-O 3.2Å; N106-R124 VanDerWaalsContact ND2-O 3.1Å; N106-R126 PolarHBondContact ND2-O 3.01Å; N106-K127 VanDerWaalsContact O-CA 3.26Å; N106-K127 WeakPolarHBondContact O-CA 3.06Å; N106-Y128 HydrophobicContact CB-CD1 3.71Å; N106-Y128 HydrophobicContact CB-CE1 3.31Å; N106-Y128 HydrophobicContact CB-CE2 4.2Å; N106-Y128 HydrophobicContact CB-CG 4.31Å; N106-Y128 PolarHBondContact N-O 3.26Å; N106-Y128 PolarHBondContact O-N 3.23Å
107G60.6Low68.8Low37 Ų3765 Ų6538%0.38134%0.343SS..SBendtrans70.8165.4-165.900000111.9A109G107-A109 PolarHBondContact O-N 3.38Å
108K56.7Low66.3Low219 Ų21970 Ų7095%0.95237%0.369SS*.SBendtrans-66.431.6174.9-63.8-175.8177.3-177.50113.3Q110K108-Q110 PolarHBondContact O-N 3.39Å
109A51.3Low63.5Low14 Ų1473.6 Ų73.612%0.11640%0.398CS..  trans-71.792.1176.900000108.8G107G107-A109 PolarHBondContact O-N 3.38Å
110Q54.1Low61Low140 Ų14079.8 Ų79.865%0.65443%0.431SS*.SBendtrans-62.7-37.2160.5-73-179.3-27.100109.3H102 K108H102-Q110 PolarHBondContact CE1-O 3.33Å; K108-Q110 PolarHBondContact O-N 3.39Å
111H52.7Low58.8Low106 Ų10686.1 Ų86.149%0.49146%0.464SS..SBendtrans-146139.6172.9-61.4-58.7000108.8K27 F28K27-H111 WeakPolarHBondContact CB-ND1 3.44Å; K27-H111 WeakPolarHBondContact O-CA 3.35Å; K27-H111 VanDerWaalsContact O-CB 3.28Å; K27-H111 WeakPolarHBondContact O-CB 3.04Å; K27-H111 PolarHBondContact O-ND1 2.77Å; F28-H111 AromaticContact CZ-CE1 3.78Å; F28-H111 AromaticContact CZ-ND1 3.87Å
112S42.6Very low56.7Low18 Ų1890.6 Ų90.613%0.12649%0.488CS..  trans-154.5139.3173.1145.40000111D29 N114 S129D29-S112 PolarHBondContact N-O 3.42Å; D29-S112 WeakPolarHBondContact OD2-CB 3.06Å; D29-S112 PolarHBondContact OD2-OG 3.17Å; S112-N114 PolarHBondContact OG-N 2.85Å; S112-S129 PolarHBondContact N-OG 2.99Å
113H44.3Very low54.7Low103 Ų10399.1 Ų99.148%0.47752%0.518SS..SBendtrans-137.973157.7-84.2-41.6000104.2E26 F28 D29 T49E26-H113 PolarHBondContact O-CD2 2.96Å; E26-H113 PolarHBondContact O-NE2 3.29Å; E26-H113 VanDerWaalsContact O-NE2 3.11Å; F28-H113 PolarHBondContact O-CE1 3.01Å; F28-H113 PolarHBondContact O-NE2 3.5Å; D29-H113 WeakPolarHBondContact OD1-CA 3.48Å; D29-H113 IonicContact OD1-CG 2.65Å; D29-H113 IonicContact OD1-ND1 3.23Å; D29-H113 PolarHBondContact OD1-ND1 3.03Å; D29-H113 VanDerWaalsContact OD1-ND1 3.13Å; T49-H113 PolarHBondContact OG1-CE1 3.14Å; T49-H113 PolarHBondContact OG1-NE2 2.74Å
114N41.9Very low52.9Low131 Ų131109.5 Ų109.570%0.70156%0.558SS**  trans58.3106.4-178.5-73.1-31.2000117.7S112S112-N114 PolarHBondContact OG-N 2.85Å
115N36.7Very low51.4Low155 Ų155113.6 Ų113.683%0.82958%0.58SS**  trans-122.848156.9-102.4-8.2000111
116N44Very low50.5Low60 Ų60121.5 Ų121.532%0.32161%0.607SS.*  trans-131.595.2173.5-88.118.1000110.6D118 K127N116-D118 HydrophobicContact CB-CB 4.33Å; N116-D118 PolarHBondContact O-N 2.86Å; N116-K127 WeakPolarHBondContact OD1-CE 3.31Å; N116-K127 PolarHBondContact OD1-NZ 3.32Å
117T37.6Very low50.6Low146 Ų146123.5 Ų123.590%0.89661%0.613SS**  trans-73.877.7140.348.40000107.3
118D45.2Very low52.1Low117 Ų117125.7 Ų125.763%0.62661%0.611SS**  trans-132.4103.2172.2-85.5-33.5000109.1N116 D120N116-D118 HydrophobicContact CB-CB 4.33Å; N116-D118 PolarHBondContact O-N 2.86Å; D118-D120 VanDerWaalsContact C-N 3.32Å; D118-D120 PolarHBondContact O-N 3.3Å; D118-D120 VanDerWaalsContact O-N 3.1Å
119S38.5Very low53.9Low117 Ų117115.2 Ų115.282%0.81857%0.565SS**  trans-65.890.3159.452.10000108.4
120D45.1Very low56Low142 Ų142115 Ų11576%0.75956%0.562SS**  trans-158.9131158.3-114-17.7000111.9D118 N122D118-D120 VanDerWaalsContact C-N 3.32Å; D118-D120 PolarHBondContact O-N 3.3Å; D118-D120 VanDerWaalsContact O-N 3.1Å; D120-N122 PolarHBondContact O-N 3.43Å
121D49.8Very low58.1Low154 Ų154108.3 Ų108.382%0.82453%0.531SS*.  trans-74.234.2-170.3-157.16.8000113.4
122N51Low60.2Low97 Ų97103.4 Ų103.452%0.51951%0.508SS..  trans-101.190.8178.8-96.5-36.4000110.4D120 R124 N125D120-N122 PolarHBondContact O-N 3.43Å; N122-R124 PolarHBondContact O-N 2.85Å; N122-N125 HydrophobicContact CB-CB 4.32Å; N122-N125 PolarHBondContact O-N 3.36Å
123R49.2Very low62.9Low220 Ų220102.5 Ų102.583%0.8350%0.502SS*.G310 helixtrans-50.8-21.2175.6-70.5-177.3-174.9-178.81.4114.4
124R53.6Low65.5Low226 Ų22697.7 Ų97.785%0.85348%0.48SS*.G310 helixtrans-78.7-15.4176.4-72.3-176.4178175-0.3114.7N106 N122N106-R124 PolarHBondContact ND2-O 3.2Å; N106-R124 VanDerWaalsContact ND2-O 3.1Å; N122-R124 PolarHBondContact O-N 2.85Å
125N58.4Low68.2Low112 Ų11291.5 Ų91.560%0.59945%0.447SS*.G310 helixtrans-998.1-174.8-78.8-2.2000114.8N122 K127N122-N125 HydrophobicContact CB-CB 4.32Å; N122-N125 PolarHBondContact O-N 3.36Å; N125-K127 PolarHBondContact O-N 2.98Å; N125-K127 VanDerWaalsContact O-N 3.16Å
126R67.6Low71.1Confident182 Ų18285.4 Ų85.469%0.68741%0.414SS*.  trans-68.9115.7175.8-71.7-174.2-179.9175.6-0.4110N106 Y128N106-R126 PolarHBondContact ND2-O 3.01Å; R126-Y128 WeakPolarHBondContact O-CD1 3.16Å
127K82.6Confident73.7Confident98 Ų9882.6 Ų82.643%0.42640%0.399SS..  trans-69.9134.8170.7-60.9177.1-174.8152.50108.9N106 N116 N125N106-K127 VanDerWaalsContact O-CA 3.26Å; N106-K127 WeakPolarHBondContact O-CA 3.06Å; N116-K127 WeakPolarHBondContact OD1-CE 3.31Å; N116-K127 PolarHBondContact OD1-NZ 3.32Å; N125-K127 PolarHBondContact O-N 2.98Å; N125-K127 VanDerWaalsContact O-N 3.16Å
128Y90.8Very high76.5Confident82 Ų8275.9 Ų75.932%0.32236%0.359SS..BIsolated β-bridgetrans-154.1150172.860.7-98.8000109.9D29 I104 S105 N106 R126 I130D29-Y128 VanDerWaalsContact OD2-CA 3.25Å; D29-Y128 WeakPolarHBondContact OD2-CA 3.47Å; I104-Y128 WeakPolarHBondContact O-CE2 3.14Å; I104-Y128 PolarHBondContact O-OH 2.97Å; I104-Y128 VanDerWaalsContact O-OH 3.14Å; S105-Y128 WeakPolarHBondContact CA-O 3.33Å; S105-Y128 WeakPolarHBondContact CB-O 3.44Å; N106-Y128 HydrophobicContact CB-CD1 3.71Å; N106-Y128 HydrophobicContact CB-CE1 3.31Å; N106-Y128 HydrophobicContact CB-CE2 4.2Å; N106-Y128 HydrophobicContact CB-CG 4.31Å; N106-Y128 PolarHBondContact N-O 3.26Å; N106-Y128 PolarHBondContact O-N 3.23Å; R126-Y128 WeakPolarHBondContact O-CD1 3.16Å; Y128-I130 HydrophobicContact CD2-CD1 3.93Å; Y128-I130 HydrophobicContact CD2-CG1 3.79Å; Y128-I130 HydrophobicContact CE2-CD1 3.59Å; Y128-I130 HydrophobicContact CE2-CG1 3.94Å
129S94.5Very high79Confident0 Ų070.6 Ų70.60%033%0.33CS..  trans-115.1145.2172.563.10000112.5F28 D29 Y30 S112F28-S129 VanDerWaalsContact CA-OG 3.29Å; F28-S129 WeakPolarHBondContact CA-OG 3.31Å; D29-S129 WeakPolarHBondContact CB-O 3.17Å; D29-S129 PolarHBondContact N-O 3.18Å; D29-S129 VanDerWaalsContact N-O 3.11Å; D29-S129 PolarHBondContact N-OG 3.36Å; D29-S129 PolarHBondContact OD2-N 2.91Å; D29-S129 VanDerWaalsContact OD2-N 3.07Å; Y30-S129 PolarHBondContact N-O 2.99Å; Y30-S129 VanDerWaalsContact N-O 3.08Å; S112-S129 PolarHBondContact N-OG 2.99Å
130I96Very high81.7Confident8 Ų867.9 Ų67.94%0.04131%0.309CS..EExtended strand (participates in β ladder)trans-126.8134.1-178.2-54.3-176.4000109.4Y30 R32 L46 C101 I104 S105 Y128Y30-I130 WeakPolarHBondContact O-CA 3.29Å; R32-I130 HydrophobicContact CG-CG2 4.07Å; L46-I130 HydrophobicContact CD1-CD1 4.46Å; L46-I130 HydrophobicContact CD1-CG2 4.18Å; C101-I130 WeakPolarHBondContact CA-O 3.45Å; C101-I130 HydrophobicContact CB-CB 4.43Å; C101-I130 HydrophobicContact CB-CG2 4.34Å; C101-I130 PolarHBondContact N-O 3.47Å; I104-I130 HydrophobicContact CD1-CB 4.07Å; I104-I130 HydrophobicContact CD1-CD1 3.89Å; I104-I130 HydrophobicContact CD1-CG2 3.8Å; I104-I130 HydrophobicContact CG1-CB 4.24Å; I104-I130 HydrophobicContact CG1-CD1 4.12Å; S105-I130 PolarHBondContact OG-N 3.21Å; Y128-I130 HydrophobicContact CD2-CD1 3.93Å; Y128-I130 HydrophobicContact CD2-CG1 3.79Å; Y128-I130 HydrophobicContact CE2-CD1 3.59Å; Y128-I130 HydrophobicContact CE2-CG1 3.94Å
131C97.5Very high84Confident0 Ų065.3 Ų65.30%030%0.296CS..EExtended strand (participates in β ladder)trans-113.9170.9161.164.10000110.7F28 Y30 I31 R32 L98 H99F28-C131 HydrophobicContact CB-CB 4.33Å; F28-C131 HydrophobicContact CD1-CB 3.89Å; F28-C131 HydrophobicContact CD2-CB 3.7Å; F28-C131 HydrophobicContact CE1-CB 4.1Å; F28-C131 HydrophobicContact CE2-CB 3.9Å; F28-C131 HydrophobicContact CG-CB 3.7Å; F28-C131 HydrophobicContact CZ-CB 4.11Å; Y30-C131 PolarHBondContact O-N 3.46Å; I31-C131 CarbonylContact C-O 3.59Å; I31-C131 VanDerWaalsContact CA-O 3.27Å; I31-C131 WeakPolarHBondContact CA-O 3.44Å; R32-C131 PolarHBondContact N-O 3.41Å; L98-C131 HydrophobicContact CD1-CB 4.12Å; H99-C131 CarbonylContact O-C 3.51Å; H99-C131 VanDerWaalsContact O-CA 3.29Å; H99-C131 WeakPolarHBondContact O-CA 3.01Å; H99-C131 WeakPolarHBondContact O-CB 3.35Å
132A98.2Very high86.2Confident3 Ų361.8 Ų61.83%0.02528%0.277CS..EExtended strand (participates in β ladder)trans-139.9154.9174.900000111.4R32 L98 H99 C101R32-A132 HydrophobicContact CB-CB 3.86Å; R32-A132 CarbonylContact O-C 3.56Å; R32-A132 VanDerWaalsContact O-CA 3.27Å; R32-A132 WeakPolarHBondContact O-CA 3.47Å; L98-A132 WeakPolarHBondContact CA-O 3.49Å; H99-A132 PolarHBondContact N-O 3.46Å; H99-A132 PolarHBondContact ND1-O 2.93Å; H99-A132 PolarHBondContact O-N 3.04Å; C101-A132 VanDerWaalsContact SG-CB 3.51Å
133V98.4Very high88.4Confident0 Ų062 Ų620%027%0.274CS..EExtended strand (participates in β ladder)trans-140138.6173.567.10000108.7F21 I31 R32 L33 S34 P93 D94 T97F21-V133 HydrophobicContact CE2-CB 4.31Å; F21-V133 HydrophobicContact CE2-CG1 4.49Å; F21-V133 HydrophobicContact CE2-CG2 4.03Å; F21-V133 HydrophobicContact CZ-CG1 4.35Å; I31-V133 HydrophobicContact CD1-CB 4.32Å; I31-V133 HydrophobicContact CD1-CG1 3.74Å; I31-V133 HydrophobicContact CG1-CG1 4.32Å; R32-V133 PolarHBondContact O-N 2.89Å; L33-V133 HydrophobicContact CD2-CG1 3.49Å; L33-V133 VanDerWaalsContact CD2-CG1 3.49Å; S34-V133 PolarHBondContact N-O 2.89Å; P93-V133 HydrophobicContact CB-CG1 3.91Å; P93-V133 HydrophobicContact CB-CG2 3.96Å; D94-V133 WeakPolarHBondContact O-CG2 3.48Å; T97-V133 WeakPolarHBondContact OG1-CG2 3.42Å
134L98.5Very high90.6Very high2 Ų255.2 Ų55.21%0.0126%0.259CS..EExtended strand (participates in β ladder)trans-77.9144.7174.1-55.5178.6000109.8S34 D94 T97 D267 F270 I271S34-L134 CarbonylContact O-C 3.57Å; S34-L134 VanDerWaalsContact O-CA 3.25Å; S34-L134 WeakPolarHBondContact O-CA 3.21Å; D94-L134 PolarHBondContact N-O 3.1Å; T97-L134 HydrophobicContact CG2-CB 4.14Å; T97-L134 HydrophobicContact CG2-CD1 4.05Å; T97-L134 HydrophobicContact CG2-CG 4.28Å; T97-L134 WeakPolarHBondContact OG1-CB 3.48Å; T97-L134 PolarHBondContact OG1-N 3.29Å; L134-D267 HydrophobicContact CD1-CB 3.73Å; L134-F270 HydrophobicContact CD1-CD1 4.44Å; L134-F270 HydrophobicContact CD2-CD1 3.77Å; L134-F270 HydrophobicContact CD2-CE1 3.96Å; L134-I271 HydrophobicContact CD1-CD1 3.96Å; L134-I271 HydrophobicContact CD1-CG1 4.07Å; L134-I271 HydrophobicContact CD2-CG1 4.27Å; L134-I271 HydrophobicContact CG-CD1 4.38Å; L134-I271 HydrophobicContact CG-CG1 4.41Å
135C98.6Very high92.7Very high0 Ų044.5 Ų44.50%022%0.219CC..EExtended strand (participates in β ladder)trans-124.7143-175.6-63.80000111.1S34 F35 L91 K92 H148S34-C135 PolarHBondContact O-N 2.99Å; F35-C135 WeakPolarHBondContact CB-O 3.15Å; L91-C135 HydrophobicContact CB-CB 4.14Å; L91-C135 HydrophobicContact CD2-CB 4.02Å; K92-C135 CarbonylContact O-C 3.46Å; K92-C135 VanDerWaalsContact O-CA 3.27Å; K92-C135 WeakPolarHBondContact O-CA 3.46Å; C135-H148 PolarHBondContact O-CE1 3.46Å
136D98.1Very high94.6Very high27 Ų2745.8 Ų45.814%0.14422%0.219CC..EExtended strand (participates in β ladder)trans-89.7151.3161.4-64-22.7000110.1K92 R150 V151 K154K92-D136 HydrophobicContact CB-CB 4.44Å; K92-D136 PolarHBondContact N-O 3.01Å; K92-D136 PolarHBondContact O-N 3.37Å; D136-R150 WeakPolarHBondContact OD1-CB 3.43Å; D136-R150 VanDerWaalsContact OD1-CD 3.31Å; D136-R150 WeakPolarHBondContact OD1-CD 3.45Å; D136-R150 IonicContact OD1-CZ 3.72Å; D136-R150 IonicContact OD1-NE 3.31Å; D136-R150 PolarHBondContact OD1-NE 2.65Å; D136-V151 HydrophobicContact CB-CG2 4.17Å; D136-K154 IonicContact OD1-NZ 2.8Å; D136-K154 IonicContact OD2-NZ 3.86Å; D136-K154 PolarHBondContact OD2-NZ 3.45Å
137L97.6Very high96Very high1 Ų137.1 Ų37.11%0.00519%0.187CC..EExtended strand (participates in β ladder)trans-93.4132.2172.6-88.465.1000110.5F35 V62 I67 L91 M145 H148F35-L137 HydrophobicContact CB-CD1 4Å; F35-L137 HydrophobicContact CD1-CD1 4.41Å; F35-L137 HydrophobicContact CD2-CD1 3.61Å; F35-L137 HydrophobicContact CE2-CD1 4.18Å; F35-L137 HydrophobicContact CG-CD1 3.75Å; V62-L137 HydrophobicContact CG1-CD2 4.37Å; I67-L137 HydrophobicContact CG2-CD2 3.67Å; L91-L137 HydrophobicContact CD2-CD1 3.76Å; L91-L137 HydrophobicContact CD2-CG 4.41Å; L137-M145 HydrophobicContact CB-CB 4.03Å; L137-M145 HydrophobicContact CB-SD 4.12Å; L137-M145 HydrophobicContact CD2-CE 4.27Å; L137-M145 HydrophobicContact CD2-SD 3.85Å; L137-M145 WeakPolarHBondContact O-CB 3.27Å; L137-M145 PolarHBondContact O-N 3.25Å; L137-H148 HydrophobicContact CB-CB 4.26Å
138A97.7Very high96.7Very high5 Ų532.5 Ų32.54%0.04117%0.166CC..EExtended strand (participates in β ladder)trans-125150.2169.700000110.5S89 K90 K92 E143S89-A138 CarbonylContact C-O 3.5Å; S89-A138 WeakPolarHBondContact CA-O 3.19Å; S89-A138 WeakPolarHBondContact CB-O 3.48Å; S89-A138 PolarHBondContact OG-O 2.99Å; K90-A138 PolarHBondContact N-O 3Å; K90-A138 PolarHBondContact O-N 2.8Å; K92-A138 HydrophobicContact CG-CB 3.98Å; A138-E143 CarbonylContact C-O 3.45Å; A138-E143 VanDerWaalsContact CA-O 3.29Å; A138-E143 WeakPolarHBondContact CA-O 3.45Å
139W96.9Very high97Very high7 Ų728.6 Ų28.63%0.02715%0.151CC..  trans-65.2165.5170.3-64.8118.3000111.2S64 E80 I81 V87 N141 D142 E143 M145 W470S64-W139 WeakPolarHBondContact OG-CZ3 3.47Å; E80-W139 HydrophobicContact CG-CH2 4.25Å; E80-W139 HydrophobicContact CG-CZ2 4.08Å; E80-W139 WeakPolarHBondContact OE1-CZ2 3.3Å; I81-W139 HydrophobicContact CG1-CH2 4.33Å; V87-W139 HydrophobicContact CG2-CE3 4.29Å; V87-W139 HydrophobicContact CG2-CZ3 4.3Å; W139-N141 WeakPolarHBondContact CB-OD1 3.41Å; W139-N141 PolarHBondContact O-N 3.01Å; W139-N141 VanDerWaalsContact O-N 3.1Å; W139-D142 WeakPolarHBondContact O-CA 3.17Å; W139-D142 PolarHBondContact O-N 3.5Å; W139-E143 PolarHBondContact N-O 3.35Å; W139-M145 HydrophobicContact CD2-CE 4.42Å; W139-M145 HydrophobicContact CE3-CE 4.1Å; W139-M145 HydrophobicContact CH2-CE 3.6Å; W139-M145 HydrophobicContact CZ2-CE 3.93Å; W139-M145 HydrophobicContact CZ2-CG 4.14Å; W139-M145 HydrophobicContact CZ3-CE 3.68Å; W139-W470 AromaticContact CH2-CH2 3.88Å; W139-W470 HydrophobicContact CH2-CH2 3.88Å; W139-W470 HydrophobicContact CH2-CZ2 4.31Å; W139-W470 HydrophobicContact CZ2-CH2 4.08Å; W139-W470 HydrophobicContact CZ2-CZ2 4.27Å
140P95Very high97.2Very high59 Ų5928.6 Ų28.638%0.38315%0.151SC..THydrogen-bonded Turntrans-53.9-29.9178-30.335.9000115.1V87 N88 K90 D142V87-P140 HydrophobicContact CB-CG 4.1Å; V87-P140 HydrophobicContact CG2-CG 4.23Å; N88-P140 WeakPolarHBondContact O-CD 3.21Å; N88-P140 WeakPolarHBondContact O-CG 3.31Å; K90-P140 WeakPolarHBondContact CE-O 3.36Å; K90-P140 PolarHBondContact NZ-O 3.06Å; P140-D142 PolarHBondContact O-N 3.39Å
141N94.7Very high97.3Very high88 Ų8829.1 Ų29.147%0.47116%0.155SC..THydrogen-bonded Turntrans-82.411.5175.866.4-12.6000113.7W139 E143W139-N141 WeakPolarHBondContact CB-OD1 3.41Å; W139-N141 PolarHBondContact O-N 3.01Å; W139-N141 VanDerWaalsContact O-N 3.1Å; N141-E143 PolarHBondContact ND2-OE2 3.26Å; N141-E143 PolarHBondContact O-N 3.3Å; N141-E143 WeakPolarHBondContact OD1-CB 3.27Å; N141-E143 PolarHBondContact OD1-N 2.88Å
142D95.3Very high97.3Very high80 Ų8029.4 Ų29.443%0.42816%0.157SC..SBendtrans67.94.9-179.1-61.2-66.1000115.8K90 K92 W139 P140K90-D142 VanDerWaalsContact CD-OD1 3.25Å; K90-D142 WeakPolarHBondContact CD-OD1 3.48Å; K90-D142 IonicContact NZ-OD1 2.81Å; K90-D142 PolarHBondContact NZ-OD1 2.55Å; K90-D142 IonicContact NZ-OD2 3.85Å; K90-D142 PolarHBondContact NZ-OD2 3.23Å; K92-D142 WeakPolarHBondContact CE-OD1 3.43Å; K92-D142 IonicContact NZ-OD1 3.75Å; K92-D142 PolarHBondContact NZ-OD1 3.38Å; W139-D142 WeakPolarHBondContact O-CA 3.17Å; W139-D142 PolarHBondContact O-N 3.5Å; P140-D142 PolarHBondContact O-N 3.39Å
143E96.6Very high97.3Very high101 Ų10129.3 Ų29.347%0.47216%0.156SC..  trans-66.3133169.8-70.9177.9159.300110.7A138 W139 N141 M145A138-E143 CarbonylContact C-O 3.45Å; A138-E143 VanDerWaalsContact CA-O 3.29Å; A138-E143 WeakPolarHBondContact CA-O 3.45Å; W139-E143 PolarHBondContact N-O 3.35Å; N141-E143 PolarHBondContact ND2-OE2 3.26Å; N141-E143 PolarHBondContact O-N 3.3Å; N141-E143 WeakPolarHBondContact OD1-CB 3.27Å; N141-E143 PolarHBondContact OD1-N 2.88Å; E143-M145 PolarHBondContact O-N 2.88Å
144P96.9Very high97.3Very high79 Ų7932.4 Ų32.451%0.51317%0.17SC..BIsolated β-bridgetrans-58.6136.5176.1-24.333.7000112.1K146 V151P144-K146 PolarHBondContact O-N 2.76Å; P144-V151 HydrophobicContact CB-CG1 3.69Å; P144-V151 HydrophobicContact CB-CG2 4.34Å
145M97.3Very high97.3Very high1 Ų137.5 Ų37.51%0.00519%0.192CC..  trans-73.999.1170.6-179.5-177.6-78.900108.5I67 S89 L137 W139 E143 A147 H148 V151 W470I67-M145 HydrophobicContact CD1-SD 3.48Å; I67-M145 WeakPolarHBondContact CD1-SD 3.26Å; I67-M145 HydrophobicContact CG1-SD 4.14Å; S89-M145 WeakPolarHBondContact OG-CE 3.49Å; L137-M145 HydrophobicContact CB-CB 4.03Å; L137-M145 HydrophobicContact CB-SD 4.12Å; L137-M145 HydrophobicContact CD2-CE 4.27Å; L137-M145 HydrophobicContact CD2-SD 3.85Å; L137-M145 WeakPolarHBondContact O-CB 3.27Å; L137-M145 PolarHBondContact O-N 3.25Å; W139-M145 HydrophobicContact CD2-CE 4.42Å; W139-M145 HydrophobicContact CE3-CE 4.1Å; W139-M145 HydrophobicContact CH2-CE 3.6Å; W139-M145 HydrophobicContact CZ2-CE 3.93Å; W139-M145 HydrophobicContact CZ2-CG 4.14Å; W139-M145 HydrophobicContact CZ3-CE 3.68Å; E143-M145 PolarHBondContact O-N 2.88Å; M145-A147 PolarHBondContact O-N 2.66Å; M145-A147 VanDerWaalsContact O-N 3.13Å; M145-H148 HydrophobicContact CB-CB 4.29Å; M145-H148 HydrophobicContact CG-CB 4.38Å; M145-H148 WeakPolarHBondContact O-CB 3.38Å; M145-H148 PolarHBondContact O-N 3.1Å; M145-V151 WeakPolarHBondContact O-CB 3.4Å; M145-W470 HydrophobicContact CE-CH2 4.19Å; M145-W470 HydrophobicContact CE-CZ3 4.42Å; M145-W470 HydrophobicContact CG-CH2 4.3Å; M145-W470 HydrophobicContact CG-CZ3 4.48Å; M145-W470 HydrophobicContact SD-CH2 4.1Å; M145-W470 HydrophobicContact SD-CZ3 3.91Å
146K97.2Very high97.3Very high138 Ų13837.5 Ų37.560%0.619%0.192SC*.THydrogen-bonded Turntrans-60.9-23.7-173.5-67.9172.2-179.31730114.4P144 H148 D466P144-K146 PolarHBondContact O-N 2.76Å; K146-H148 VanDerWaalsContact C-N 3.32Å; K146-D466 HydrophobicContact CB-CB 4.01Å; K146-D466 VanDerWaalsContact CB-OD2 3.27Å; K146-D466 WeakPolarHBondContact CB-OD2 3.41Å; K146-D466 WeakPolarHBondContact CD-OD2 3.18Å
147A97.2Very high97.3Very high1 Ų137.6 Ų37.61%0.00819%0.192CC..THydrogen-bonded Turntrans-77.2-14.3173.700000113.9L38 M145 D466 W470L38-A147 WeakPolarHBondContact CD2-O 3.35Å; M145-A147 PolarHBondContact O-N 2.66Å; M145-A147 VanDerWaalsContact O-N 3.13Å; A147-D466 HydrophobicContact CB-CB 4.22Å; A147-W470 HydrophobicContact CB-CB 4.13Å; A147-W470 HydrophobicContact CB-CD2 3.36Å; A147-W470 HydrophobicContact CB-CE3 3.44Å; A147-W470 VanDerWaalsContact CB-CE3 3.44Å; A147-W470 HydrophobicContact CB-CG 3.73Å; A147-W470 HydrophobicContact CB-CH2 4.33Å; A147-W470 HydrophobicContact CB-CZ2 4.25Å; A147-W470 HydrophobicContact CB-CZ3 3.95Å
148H98Very high97.3Very high0 Ų042 Ų420%022%0.216CC..SBendtrans-68.6129.9-179.7-179.8-118.7000110.7I67 C135 L137 M145 K146 R150 V151 A152I67-H148 HydrophobicContact CD1-CB 4.48Å; C135-H148 PolarHBondContact O-CE1 3.46Å; L137-H148 HydrophobicContact CB-CB 4.26Å; M145-H148 HydrophobicContact CB-CB 4.29Å; M145-H148 HydrophobicContact CG-CB 4.38Å; M145-H148 WeakPolarHBondContact O-CB 3.38Å; M145-H148 PolarHBondContact O-N 3.1Å; K146-H148 VanDerWaalsContact C-N 3.32Å; H148-R150 VanDerWaalsContact C-N 3.34Å; H148-R150 PolarHBondContact O-N 2.87Å; H148-V151 HydrophobicContact CB-CB 4.2Å; H148-V151 HydrophobicContact CB-CG2 4.02Å; H148-V151 WeakPolarHBondContact O-CA 3.38Å; H148-V151 WeakPolarHBondContact O-CB 3.17Å; H148-V151 PolarHBondContact O-N 2.94Å; H148-A152 PolarHBondContact O-N 2.81Å
149P97.9Very high97.3Very high0 Ų043.8 Ų43.80%022%0.223CC..Hα-helixtrans-52.9-44.1-172.1-30.735.5000114.7P36 L38 V151 A152 V153 Y403 H404P36-P149 HydrophobicContact CB-CB 4.44Å; P36-P149 HydrophobicContact CB-CG 4.28Å; P36-P149 HydrophobicContact CG-CB 3.96Å; P36-P149 HydrophobicContact CG-CG 4.08Å; L38-P149 HydrophobicContact CD2-CG 4.39Å; P149-V151 VanDerWaalsContact C-N 3.34Å; P149-V151 PolarHBondContact O-N 3.41Å; P149-A152 PolarHBondContact O-N 3.11Å; P149-V153 WeakPolarHBondContact O-CG1 3.31Å; P149-V153 PolarHBondContact O-N 2.85Å; P149-Y403 HydrophobicContact CB-CD2 4.33Å; P149-Y403 HydrophobicContact CB-CG 4.31Å; P149-H404 VanDerWaalsContact CG-NE2 3.35Å; P149-H404 WeakPolarHBondContact CG-NE2 3.34Å
150R98.3Very high97.4Very high0 Ų043.5 Ų43.50%022%0.222CC..Hα-helixtrans-63.9-37.5176.8-66176.764.995.55.5112.5P36 D94 D136 H148 V153 K154 D267 Y403P36-R150 HydrophobicContact CG-CG 4.1Å; D94-R150 IonicContact OD2-NH2 3.73Å; D94-R150 PolarHBondContact OD2-NH2 3.07Å; D136-R150 WeakPolarHBondContact OD1-CB 3.43Å; D136-R150 VanDerWaalsContact OD1-CD 3.31Å; D136-R150 WeakPolarHBondContact OD1-CD 3.45Å; D136-R150 IonicContact OD1-CZ 3.72Å; D136-R150 IonicContact OD1-NE 3.31Å; D136-R150 PolarHBondContact OD1-NE 2.65Å; H148-R150 VanDerWaalsContact C-N 3.34Å; H148-R150 PolarHBondContact O-N 2.87Å; R150-V153 VanDerWaalsContact O-CG1 3.24Å; R150-V153 WeakPolarHBondContact O-CG1 3.43Å; R150-K154 WeakPolarHBondContact O-CB 3.38Å; R150-K154 WeakPolarHBondContact O-CG 3.33Å; R150-K154 PolarHBondContact O-N 3.19Å; R150-K154 VanDerWaalsContact O-N 3.1Å; R150-D267 IonicContact CZ-OD1 2.79Å; R150-D267 IonicContact CZ-OD2 3.93Å; R150-D267 IonicContact NH1-OD1 2.91Å; R150-D267 PolarHBondContact NH1-OD1 3.15Å; R150-D267 IonicContact NH1-OD2 2.65Å; R150-D267 PolarHBondContact NH1-OD2 3.16Å; R150-D267 IonicContact NH2-OD1 3.96Å; R150-D267 IonicContact NH2-OD2 3.11Å; R150-D267 PolarHBondContact NH2-OD2 2.97Å; R150-Y403 HydrophobicContact CG-CD1 4.01Å; R150-Y403 HydrophobicContact CG-CD2 4.33Å; R150-Y403 HydrophobicContact CG-CE1 3.75Å; R150-Y403 HydrophobicContact CG-CE2 4.09Å; R150-Y403 HydrophobicContact CG-CG 4.29Å; R150-Y403 PolarHBondContact NH1-OH 2.84Å
151V98Very high97.6Very high20 Ų2045.4 Ų45.412%0.12123%0.226CC..Hα-helixtrans-71.1-42.5-178.9174.60000110.2D136 P144 M145 H148 P149 V153 K154 K155D136-V151 HydrophobicContact CB-CG2 4.17Å; P144-V151 HydrophobicContact CB-CG1 3.69Å; P144-V151 HydrophobicContact CB-CG2 4.34Å; M145-V151 WeakPolarHBondContact O-CB 3.4Å; H148-V151 HydrophobicContact CB-CB 4.2Å; H148-V151 HydrophobicContact CB-CG2 4.02Å; H148-V151 WeakPolarHBondContact O-CA 3.38Å; H148-V151 WeakPolarHBondContact O-CB 3.17Å; H148-V151 PolarHBondContact O-N 2.94Å; P149-V151 VanDerWaalsContact C-N 3.34Å; P149-V151 PolarHBondContact O-N 3.41Å; V151-V153 PolarHBondContact O-N 3.44Å; V151-K154 PolarHBondContact O-N 3.41Å; V151-K155 PolarHBondContact O-N 3.2Å
152A97.6Very high97.7Very high6 Ų646 Ų465%0.0523%0.232CC..Hα-helixtrans-59.8-47.1178.500000111.9H148 P149 F467H148-A152 PolarHBondContact O-N 2.81Å; P149-A152 PolarHBondContact O-N 3.11Å; A152-F467 HydrophobicContact CB-CB 4.06Å; A152-F467 HydrophobicContact CB-CD2 3.97Å; A152-F467 HydrophobicContact CB-CG 3.99Å
153V98.1Very high97.8Very high0 Ų047.1 Ų47.10%023%0.234CC..Hα-helixtrans-70.2-36.5178.966.90000113P149 R150 V151 K155 L156 I157 L263 Y403 L406 A407 L410P149-V153 WeakPolarHBondContact O-CG1 3.31Å; P149-V153 PolarHBondContact O-N 2.85Å; R150-V153 VanDerWaalsContact O-CG1 3.24Å; R150-V153 WeakPolarHBondContact O-CG1 3.43Å; V151-V153 PolarHBondContact O-N 3.44Å; V153-K155 VanDerWaalsContact C-N 3.25Å; V153-K155 PolarHBondContact O-N 3.21Å; V153-L156 PolarHBondContact O-N 2.94Å; V153-I157 HydrophobicContact CG2-CD1 4.08Å; V153-I157 HydrophobicContact CG2-CG1 4.35Å; V153-I157 WeakPolarHBondContact O-CG1 3.36Å; V153-I157 PolarHBondContact O-N 3Å; V153-L263 HydrophobicContact CG1-CD1 3.39Å; V153-Y403 HydrophobicContact CG1-CD1 4.24Å; V153-L406 HydrophobicContact CG2-CB 3.52Å; V153-L406 HydrophobicContact CG2-CD2 4.09Å; V153-L406 HydrophobicContact CG2-CG 4.43Å; V153-A407 HydrophobicContact CB-CB 4.28Å; V153-L410 HydrophobicContact CG2-CD1 3.99Å
154K98.3Very high97.9Very high66 Ų6645.2 Ų45.229%0.28722%0.223SC..Hα-helixtrans-57.4-39.9177.8-81.8177.5179.4-169.70111.6D94 D136 R150 V151 L156 I157 D158 L263D94-K154 IonicContact OD2-NZ 2.55Å; D94-K154 PolarHBondContact OD2-NZ 3.44Å; D94-K154 VanDerWaalsContact OD2-NZ 3.1Å; D136-K154 IonicContact OD1-NZ 2.8Å; D136-K154 IonicContact OD2-NZ 3.86Å; D136-K154 PolarHBondContact OD2-NZ 3.45Å; R150-K154 WeakPolarHBondContact O-CB 3.38Å; R150-K154 WeakPolarHBondContact O-CG 3.33Å; R150-K154 PolarHBondContact O-N 3.19Å; R150-K154 VanDerWaalsContact O-N 3.1Å; V151-K154 PolarHBondContact O-N 3.41Å; K154-L156 VanDerWaalsContact C-N 3.35Å; K154-L156 PolarHBondContact O-N 2.94Å; K154-I157 PolarHBondContact O-N 3.05Å; K154-D158 WeakPolarHBondContact O-CB 3.49Å; K154-D158 PolarHBondContact O-N 3.4Å; K154-L263 HydrophobicContact CD-CD2 4.09Å; K154-L263 HydrophobicContact CG-CD2 3.84Å
155K97.6Very high98Very high108 Ų10844.5 Ų44.547%0.4722%0.215SC..Hα-helixtrans-59.6-42.9174.7-178.4-163165.6-152.20112.2V151 V153 D158 E159V151-K155 PolarHBondContact O-N 3.2Å; V153-K155 VanDerWaalsContact C-N 3.25Å; V153-K155 PolarHBondContact O-N 3.21Å; K155-D158 PolarHBondContact O-N 3.42Å; K155-E159 PolarHBondContact O-N 3.41Å
156L98.5Very high98Very high0 Ų044.7 Ų44.70%022%0.215CC..Hα-helixtrans-71.5-35.9-179.1-68.3165.9000112.2V153 K154 D158 E159 L160 A407 L410 A411 L414V153-L156 PolarHBondContact O-N 2.94Å; K154-L156 VanDerWaalsContact C-N 3.35Å; K154-L156 PolarHBondContact O-N 2.94Å; L156-D158 VanDerWaalsContact C-N 3.35Å; L156-E159 PolarHBondContact O-N 2.94Å; L156-L160 WeakPolarHBondContact O-CB 3.43Å; L156-L160 PolarHBondContact O-N 3.24Å; L156-A407 HydrophobicContact CD1-CB 3.94Å; L156-A407 WeakPolarHBondContact CD1-O 3.43Å; L156-L410 HydrophobicContact CB-CB 3.85Å; L156-L410 HydrophobicContact CB-CD1 3.85Å; L156-L410 HydrophobicContact CB-CG 4.49Å; L156-L410 HydrophobicContact CD1-CB 4.27Å; L156-A411 HydrophobicContact CD1-CB 4.24Å; L156-A411 HydrophobicContact CD2-CB 4.33Å; L156-L414 HydrophobicContact CB-CD1 4.43Å; L156-L414 HydrophobicContact CD2-CD1 3.93Å
157I98.6Very high98.1Very high29 Ų2942.8 Ų42.815%0.14921%0.205CC..Hα-helixtrans-63.4-43.5172.7-66.9169.8000110.3V153 K154 L160 Q161 L263 L410V153-I157 HydrophobicContact CG2-CD1 4.08Å; V153-I157 HydrophobicContact CG2-CG1 4.35Å; V153-I157 WeakPolarHBondContact O-CG1 3.36Å; V153-I157 PolarHBondContact O-N 3Å; K154-I157 PolarHBondContact O-N 3.05Å; I157-L160 PolarHBondContact O-N 3.34Å; I157-Q161 PolarHBondContact O-N 3.31Å; I157-L263 HydrophobicContact CD1-CB 3.97Å; I157-L263 HydrophobicContact CD1-CD1 4.46Å; I157-L410 HydrophobicContact CG1-CD1 3.57Å
158D98.1Very high98.2Very high95 Ų9542.9 Ų42.951%0.50821%0.205SC..Hα-helixtrans-63.3-43176.5-175.859000112K154 K155 L156 L160 Q161 T162K154-D158 WeakPolarHBondContact O-CB 3.49Å; K154-D158 PolarHBondContact O-N 3.4Å; K155-D158 PolarHBondContact O-N 3.42Å; L156-D158 VanDerWaalsContact C-N 3.35Å; D158-L160 PolarHBondContact O-N 2.91Å; D158-Q161 PolarHBondContact O-N 3.36Å; D158-T162 WeakPolarHBondContact O-CB 3.42Å; D158-T162 VanDerWaalsContact O-CG2 3.31Å; D158-T162 WeakPolarHBondContact O-CG2 3.3Å; D158-T162 PolarHBondContact O-N 3.06Å; D158-T162 PolarHBondContact O-OG1 3.46Å
159E98.2Very high98.2Very high41 Ų4145.5 Ų45.519%0.19222%0.216CC..Hα-helixtrans-59.9-44.8174.7-174.8175.3161.600111.8K155 L156 Q161 T162 K163 L414 K462K155-E159 PolarHBondContact O-N 3.41Å; L156-E159 PolarHBondContact O-N 2.94Å; E159-Q161 VanDerWaalsContact C-N 3.34Å; E159-Q161 PolarHBondContact O-N 2.94Å; E159-T162 PolarHBondContact O-OG1 3.28Å; E159-K163 WeakPolarHBondContact O-CB 3.49Å; E159-K163 PolarHBondContact O-N 2.98Å; E159-L414 HydrophobicContact CB-CD1 4.24Å; E159-L414 HydrophobicContact CG-CD1 4.2Å; E159-L414 HydrophobicContact CG-CD2 4.47Å; E159-K462 IonicContact OE1-NZ 3.76Å; E159-K462 PolarHBondContact OE1-NZ 2.86Å
160L98.5Very high98.2Very high1 Ų145.5 Ų45.51%0.00522%0.217CC..Hα-helixtrans-58.3-45.4176.3-18072.2000111.9L156 I157 D158 Y164 L166 L168 L308 W334 L410 L414L156-L160 WeakPolarHBondContact O-CB 3.43Å; L156-L160 PolarHBondContact O-N 3.24Å; I157-L160 PolarHBondContact O-N 3.34Å; D158-L160 PolarHBondContact O-N 2.91Å; L160-Y164 WeakPolarHBondContact O-CB 3.5Å; L160-Y164 PolarHBondContact O-N 3.1Å; L160-L166 HydrophobicContact CD1-CB 3.78Å; L160-L166 HydrophobicContact CD1-CD1 4.1Å; L160-L166 HydrophobicContact CD2-CB 4.39Å; L160-L166 HydrophobicContact CG-CB 3.82Å; L160-L166 PolarHBondContact O-N 3.5Å; L160-L168 HydrophobicContact CD2-CB 4.16Å; L160-L308 HydrophobicContact CD1-CD1 4.27Å; L160-L308 HydrophobicContact CD1-CD2 4.43Å; L160-L308 HydrophobicContact CD2-CD2 3.84Å; L160-W334 HydrophobicContact CD1-CH2 4.44Å; L160-W334 HydrophobicContact CD1-CZ3 4.05Å; L160-L410 HydrophobicContact CD2-CD2 3.83Å; L160-L414 HydrophobicContact CB-CD2 4.16Å; L160-L414 HydrophobicContact CD1-CD2 3.95Å
161Q98Very high98.2Very high100 Ų10045.8 Ų45.847%0.46722%0.219SC..Hα-helixtrans-71.9-46.5-178.6-174.2174.7-11.300112.1I157 D158 E159 N165 L166I157-Q161 PolarHBondContact O-N 3.31Å; D158-Q161 PolarHBondContact O-N 3.36Å; E159-Q161 VanDerWaalsContact C-N 3.34Å; E159-Q161 PolarHBondContact O-N 2.94Å; Q161-N165 WeakPolarHBondContact O-CA 3.48Å; Q161-N165 PolarHBondContact O-N 3.38Å; Q161-L166 VanDerWaalsContact CA-O 3.3Å; Q161-L166 WeakPolarHBondContact CA-O 3.35Å; Q161-L166 PolarHBondContact N-O 3.49Å
162T97.9Very high98.3Very high99 Ų9944.9 Ų44.961%0.60721%0.213SC*.Hα-helixtrans-74.7-37.5-174.254.70000113.1D158 E159D158-T162 WeakPolarHBondContact O-CB 3.42Å; D158-T162 VanDerWaalsContact O-CG2 3.31Å; D158-T162 WeakPolarHBondContact O-CG2 3.3Å; D158-T162 PolarHBondContact O-N 3.06Å; D158-T162 PolarHBondContact O-OG1 3.46Å; E159-T162 PolarHBondContact O-OG1 3.28Å
163K98.1Very high98.3Very high105 Ų10546.3 Ų46.346%0.45722%0.219SC..Hα-helixtrans-85.8-36.7-177-171.3174.7175.7-172.30113.2E159 D418E159-K163 WeakPolarHBondContact O-CB 3.49Å; E159-K163 PolarHBondContact O-N 2.98Å; K163-D418 IonicContact NZ-OD1 2.7Å; K163-D418 PolarHBondContact NZ-OD1 3.34Å; K163-D418 IonicContact NZ-OD2 2.97Å; K163-D418 PolarHBondContact NZ-OD2 3.33Å
164Y98.1Very high98.2Very high60 Ų6046.3 Ų46.324%0.23522%0.219CC..Hα-helixtrans-117-3.9-171.7-66.4-76.6000114.4L160 L166 L414 L417 D418L160-Y164 WeakPolarHBondContact O-CB 3.5Å; L160-Y164 PolarHBondContact O-N 3.1Å; Y164-L166 PolarHBondContact O-N 3.22Å; Y164-L414 HydrophobicContact CD2-CD2 3.86Å; Y164-L414 HydrophobicContact CE2-CD2 3.84Å; Y164-L417 HydrophobicContact CD1-CD1 4.25Å; Y164-L417 HydrophobicContact CD2-CD1 4.08Å; Y164-L417 HydrophobicContact CE1-CB 3.84Å; Y164-L417 HydrophobicContact CE1-CD1 4.36Å; Y164-L417 HydrophobicContact CE2-CB 4.06Å; Y164-L417 HydrophobicContact CE2-CD1 4.18Å; Y164-L417 HydrophobicContact CG-CD1 4.12Å; Y164-L417 PolarHBondContact OH-O 2.83Å; Y164-D418 WeakPolarHBondContact OH-CA 3.11Å; Y164-D418 PolarHBondContact OH-N 2.88Å; Y164-D418 PolarHBondContact OH-OD1 2.63Å
165N98.2Very high98.2Very high65 Ų6544.2 Ų44.235%0.34821%0.21SC..  trans56.533.1-172.7-164.841000112.7Q161 Y310 A311 D312Q161-N165 WeakPolarHBondContact O-CA 3.48Å; Q161-N165 PolarHBondContact O-N 3.38Å; N165-Y310 WeakPolarHBondContact O-CA 3.36Å; N165-A311 PolarHBondContact O-N 2.84Å; N165-A311 WeakPolarHBondContact OD1-CB 3.29Å; N165-D312 PolarHBondContact ND2-OD1 3.18Å; N165-D312 PolarHBondContact ND2-OD2 2.94Å
166L98.7Very high98.2Very high4 Ų439 Ų392%0.02119%0.188CC..EExtended strand (participates in β ladder)trans-109.6145.1-176.7-68.2175.8000111.6L160 Q161 Y164 L308 W309 Y310 A317 T330 L417L160-L166 HydrophobicContact CD1-CB 3.78Å; L160-L166 HydrophobicContact CD1-CD1 4.1Å; L160-L166 HydrophobicContact CD2-CB 4.39Å; L160-L166 HydrophobicContact CG-CB 3.82Å; L160-L166 PolarHBondContact O-N 3.5Å; Q161-L166 VanDerWaalsContact CA-O 3.3Å; Q161-L166 WeakPolarHBondContact CA-O 3.35Å; Q161-L166 PolarHBondContact N-O 3.49Å; Y164-L166 PolarHBondContact O-N 3.22Å; L166-L308 HydrophobicContact CD1-CB 4.43Å; L166-L308 HydrophobicContact CD1-CD1 3.91Å; L166-L308 HydrophobicContact CD2-CB 4.4Å; L166-W309 CarbonylContact C-O 3.57Å; L166-W309 WeakPolarHBondContact CA-O 3.26Å; L166-Y310 HydrophobicContact CD2-CD1 3.59Å; L166-Y310 HydrophobicContact CD2-CE1 3.71Å; L166-Y310 HydrophobicContact CD2-CG 4.1Å; L166-A317 HydrophobicContact CD2-CB 3.43Å; L166-A317 VanDerWaalsContact CD2-CB 3.43Å; L166-T330 HydrophobicContact CD1-CG2 4.19Å; L166-L417 HydrophobicContact CD1-CD1 4.19Å
167R98.4Very high98.1Very high99 Ų9939.1 Ų39.137%0.37419%0.188SC..EExtended strand (participates in β ladder)trans-118.4137.5173.9-65.617463.7-156.9-4.8109.6W261 L308 W309 A311R167-W261 HydrophobicContact CB-CE3 3.95Å; R167-W261 HydrophobicContact CB-CZ3 3.81Å; R167-L308 CarbonylContact O-C 3.4Å; R167-L308 WeakPolarHBondContact O-CA 3.48Å; R167-W309 PolarHBondContact N-O 2.68Å; R167-W309 PolarHBondContact O-N 3.27Å; R167-A311 HydrophobicContact CG-CB 3.86Å
168L98.7Very high98Very high3 Ų337.7 Ų37.72%0.01618%0.181CC..EExtended strand (participates in β ladder)trans-83.7129.3176.5179.568.2000110.6L160 W261 G262 H306 L308 L406 L410L160-L168 HydrophobicContact CD2-CB 4.16Å; L168-W261 CarbonylContact O-C 3.43Å; L168-W261 WeakPolarHBondContact O-CA 3.29Å; L168-G262 PolarHBondContact O-N 3.45Å; L168-H306 HydrophobicContact CD1-CB 3.95Å; L168-L308 HydrophobicContact CB-CD2 4.45Å; L168-L308 HydrophobicContact CD1-CD2 3.91Å; L168-L406 HydrophobicContact CD2-CD2 4.35Å; L168-L406 HydrophobicContact CD2-CG 4.24Å; L168-L410 HydrophobicContact CD2-CD1 4.37Å; L168-L410 HydrophobicContact CD2-CD2 4.14Å; L168-L410 HydrophobicContact CD2-CG 4.41Å
169F98.6Very high98Very high54 Ų5433.2 Ų33.224%0.23716%0.157CC..EExtended strand (participates in β ladder)trans-123118.8169.5-169-123.6000109P259 W261 H306 S307F169-P259 HydrophobicContact CD1-CB 3.99Å; F169-P259 HydrophobicContact CD2-CB 4.42Å; F169-P259 HydrophobicContact CE1-CB 3.55Å; F169-P259 HydrophobicContact CE1-CG 4.24Å; F169-P259 HydrophobicContact CE2-CB 4.02Å; F169-P259 WeakPolarHBondContact CE2-O 3.43Å; F169-P259 HydrophobicContact CG-CB 4.41Å; F169-P259 HydrophobicContact CZ-CB 3.58Å; F169-P259 HydrophobicContact CZ-CG 4.48Å; F169-P259 WeakPolarHBondContact CZ-O 3.01Å; F169-W261 HydrophobicContact CB-CD2 4.36Å; F169-W261 HydrophobicContact CB-CE3 3.86Å; F169-W261 HydrophobicContact CB-CH2 3.97Å; F169-W261 HydrophobicContact CB-CZ2 4.47Å; F169-W261 HydrophobicContact CB-CZ3 3.65Å; F169-W261 AromaticContact CD2-CD2 3.59Å; F169-W261 HydrophobicContact CD2-CD2 3.59Å; F169-W261 AromaticContact CD2-CE2 3.54Å; F169-W261 AromaticContact CD2-CE3 3.98Å; F169-W261 HydrophobicContact CD2-CE3 3.98Å; F169-W261 AromaticContact CD2-CG 3.97Å; F169-W261 HydrophobicContact CD2-CG 3.97Å; F169-W261 HydrophobicContact CD2-CH2 4.26Å; F169-W261 AromaticContact CD2-CZ2 3.9Å; F169-W261 HydrophobicContact CD2-CZ2 3.9Å; F169-W261 HydrophobicContact CD2-CZ3 4.3Å; F169-W261 AromaticContact CD2-NE1 3.86Å; F169-W261 HydrophobicContact CE2-CD2 4.3Å; F169-W261 AromaticContact CE2-CE2 3.92Å; F169-W261 HydrophobicContact CE2-CG 4.44Å; F169-W261 HydrophobicContact CE2-CZ2 4.33Å; F169-W261 AromaticContact CE2-NE1 3.8Å; F169-W261 HydrophobicContact CG-CD2 4.35Å; F169-W261 HydrophobicContact CG-CE3 4.32Å; F169-W261 HydrophobicContact CG-CH2 4.19Å; F169-W261 HydrophobicContact CG-CZ2 4.21Å; F169-W261 HydrophobicContact CG-CZ3 4.25Å; F169-H306 CarbonylContact O-C 3.5Å; F169-H306 WeakPolarHBondContact O-CA 3.43Å; F169-S307 PolarHBondContact N-O 3.26Å; F169-S307 PolarHBondContact O-N 3.42Å; F169-S307 PolarHBondContact O-OG 3.22Å
170S98.7Very high97.9Very high1 Ų135.4 Ų35.41%0.00717%0.167CC..EExtended strand (participates in β ladder)trans-153.5160.6-16866.30000115.2P259 S260 A265 Y304 N305S170-P259 CarbonylContact O-C 3.48Å; S170-P259 VanDerWaalsContact O-CA 3.24Å; S170-P259 WeakPolarHBondContact O-CA 3.45Å; S170-S260 PolarHBondContact N-O 2.85Å; S170-S260 PolarHBondContact O-N 3.39Å; S170-A265 VanDerWaalsContact O-CB 3.24Å; S170-A265 WeakPolarHBondContact O-CB 3.32Å; S170-A265 VanDerWaalsContact OG-CB 3.25Å; S170-A265 WeakPolarHBondContact OG-CB 3.37Å; S170-Y304 VanDerWaalsContact CB-CE2 3.5Å; S170-Y304 VanDerWaalsContact CB-CZ 3.44Å; S170-Y304 WeakPolarHBondContact CB-OH 3.48Å; S170-Y304 PolarHBondContact OG-OH 2.86Å; S170-N305 CarbonylContact C-O 3.55Å; S170-N305 WeakPolarHBondContact CA-O 3.37Å; S170-N305 VanDerWaalsContact CB-O 3.22Å; S170-N305 WeakPolarHBondContact CB-O 3.24Å
171A98.2Very high97.6Very high6 Ų640.8 Ų40.85%0.0519%0.19CC..EExtended strand (participates in β ladder)trans-144.3161.9178.200000112.1L257 P259 Y304 N305A171-L257 WeakPolarHBondContact CB-O 3.21Å; A171-P259 HydrophobicContact CB-CB 4Å; A171-P259 HydrophobicContact CB-CG 3.81Å; A171-Y304 WeakPolarHBondContact O-CD2 3.48Å; A171-N305 PolarHBondContact N-O 3.24Å; A171-N305 PolarHBondContact O-N 3.45Å
172F98.5Very high97.3Very high1 Ų138 Ų380%0.00419%0.188CC..EExtended strand (participates in β ladder)trans-115.7144.4173.6-66.7-93.8000110.3P174 L257 A265 A266 Y269 Y304 P402 V405 L406F172-P174 WeakPolarHBondContact O-CD 3.45Å; F172-L257 HydrophobicContact CB-CD1 3.98Å; F172-L257 WeakPolarHBondContact O-CD1 2.99Å; F172-L257 PolarHBondContact O-N 3.25Å; F172-A265 HydrophobicContact CE2-CB 4.44Å; F172-A266 HydrophobicContact CE2-CB 4.49Å; F172-Y269 HydrophobicContact CB-CD1 3.86Å; F172-Y269 HydrophobicContact CB-CG 4.07Å; F172-Y269 AromaticContact CD1-CD1 3.67Å; F172-Y269 HydrophobicContact CD1-CD1 3.67Å; F172-Y269 HydrophobicContact CD1-CE1 4.13Å; F172-Y269 AromaticContact CD2-CD1 3.99Å; F172-Y269 HydrophobicContact CD2-CD1 3.99Å; F172-Y269 HydrophobicContact CD2-CG 4.26Å; F172-Y269 HydrophobicContact CE1-CD1 4.1Å; F172-Y269 HydrophobicContact CE2-CD1 4.41Å; F172-Y269 AromaticContact CG-CD1 3.57Å; F172-Y269 HydrophobicContact CG-CD1 3.57Å; F172-Y269 HydrophobicContact CG-CE1 4.38Å; F172-Y269 HydrophobicContact CG-CG 4.08Å; F172-Y269 HydrophobicContact CZ-CD1 4.44Å; F172-Y304 AromaticContact CD1-CD2 3.79Å; F172-Y304 HydrophobicContact CD1-CD2 3.79Å; F172-Y304 HydrophobicContact CD2-CD2 4.21Å; F172-Y304 HydrophobicContact CD2-CE2 4.37Å; F172-Y304 AromaticContact CE1-CD2 3.55Å; F172-Y304 HydrophobicContact CE1-CD2 3.55Å; F172-Y304 HydrophobicContact CE1-CE2 4.15Å; F172-Y304 HydrophobicContact CE1-CG 4.29Å; F172-Y304 AromaticContact CE2-CD2 3.97Å; F172-Y304 HydrophobicContact CE2-CD2 3.97Å; F172-Y304 AromaticContact CE2-CE2 3.85Å; F172-Y304 HydrophobicContact CE2-CE2 3.85Å; F172-Y304 HydrophobicContact CG-CD2 4.14Å; F172-Y304 AromaticContact CZ-CD2 3.66Å; F172-Y304 HydrophobicContact CZ-CD2 3.66Å; F172-Y304 AromaticContact CZ-CE2 3.76Å; F172-Y304 HydrophobicContact CZ-CE2 3.76Å; F172-P402 HydrophobicContact CE1-CB 4.2Å; F172-P402 HydrophobicContact CE2-CB 4.03Å; F172-P402 HydrophobicContact CZ-CB 3.66Å; F172-V405 HydrophobicContact CE1-CB 3.91Å; F172-V405 HydrophobicContact CE1-CG1 3.89Å; F172-V405 HydrophobicContact CE1-CG2 4.34Å; F172-V405 HydrophobicContact CZ-CB 4.33Å; F172-V405 HydrophobicContact CZ-CG1 4.47Å; F172-L406 HydrophobicContact CE1-CD1 4.43Å; F172-L406 HydrophobicContact CE2-CD1 3.66Å; F172-L406 HydrophobicContact CZ-CD1 3.3Å
173E97.7Very high97Very high36 Ų3634 Ų3417%0.16816%0.164CC..EExtended strand (participates in β ladder)trans-10973.7172.8-72.2175.1-16500109.3E175 E254 P256 C302 H303 N305E173-E175 PolarHBondContact O-N 3.03Å; E173-E254 WeakPolarHBondContact CB-OE1 3.01Å; E173-P256 HydrophobicContact CG-CB 4.15Å; E173-P256 HydrophobicContact CG-CG 4.47Å; E173-C302 VanDerWaalsContact O-CA 3.3Å; E173-C302 WeakPolarHBondContact O-CA 3.39Å; E173-H303 HydrophobicContact CB-CB 4.14Å; E173-H303 PolarHBondContact N-O 3.11Å; E173-H303 WeakPolarHBondContact OE2-CB 3.32Å; E173-H303 IonicContact OE2-CG 3.37Å; E173-H303 IonicContact OE2-ND1 3.99Å; E173-H303 PolarHBondContact OE2-ND1 3.27Å; E173-N305 VanDerWaalsContact CD-ND2 3.29Å; E173-N305 PolarHBondContact OE1-ND2 3.4Å
174P97.4Very high96.7Very high0 Ų029.4 Ų29.40%014%0.144CC..EExtended strand (participates in β ladder)trans-78.5118.5-173.731.8-36.1000112.3F172 S255 L257 Y269 L272 F289F172-P174 WeakPolarHBondContact O-CD 3.45Å; P174-S255 WeakPolarHBondContact CD-O 3.46Å; P174-S255 WeakPolarHBondContact CG-O 3.46Å; P174-S255 PolarHBondContact O-N 3.11Å; P174-L257 HydrophobicContact CG-CD1 3.98Å; P174-Y269 HydrophobicContact CB-CD2 4.05Å; P174-Y269 HydrophobicContact CB-CE2 3.31Å; P174-Y269 HydrophobicContact CG-CD2 4Å; P174-Y269 HydrophobicContact CG-CE2 3.74Å; P174-L272 HydrophobicContact CG-CD2 4.39Å; P174-F289 HydrophobicContact CB-CE1 4.33Å
175E97.1Very high96.1Very high21 Ų2131.6 Ų31.610%0.09816%0.156CC..EExtended strand (participates in β ladder)trans-88.6148.1165.2-59.5170-161.300110.4E173 Q252 L253 E254 S300 G301 S398E173-E175 PolarHBondContact O-N 3.03Å; E175-Q252 PolarHBondContact OE2-NE2 3.43Å; E175-L253 CarbonylContact C-O 3.49Å; E175-L253 VanDerWaalsContact CA-O 3.27Å; E175-L253 WeakPolarHBondContact CA-O 3.33Å; E175-E254 HydrophobicContact CG-CB 4.28Å; E175-E254 HydrophobicContact CG-CG 3.92Å; E175-S300 VanDerWaalsContact OE2-CA 3.22Å; E175-S300 WeakPolarHBondContact OE2-CA 3.38Å; E175-G301 WeakPolarHBondContact CB-O 3.24Å; E175-G301 PolarHBondContact N-O 3.3Å; E175-G301 PolarHBondContact OE2-N 3.07Å; E175-S398 WeakPolarHBondContact O-CB 3.47Å; E175-S398 PolarHBondContact O-OG 3.3Å
176F97.5Very high95.7Very high0 Ų031.5 Ų31.50%016%0.158CC..EExtended strand (participates in β ladder)trans-151.4175.2176.955.9-85.3000110.7F226 F227 Q252 L253 S255 I276 I287 S288 F289F176-F226 AromaticContact CE2-CE1 3.99Å; F176-F226 HydrophobicContact CE2-CE1 3.99Å; F176-F226 HydrophobicContact CE2-CZ 4.31Å; F176-F226 HydrophobicContact CZ-CE1 4.4Å; F176-F227 HydrophobicContact CZ-CE1 4.24Å; F176-Q252 CarbonylContact O-C 3.59Å; F176-Q252 WeakPolarHBondContact O-CA 3.22Å; F176-L253 HydrophobicContact CD2-CB 4.08Å; F176-L253 HydrophobicContact CD2-CD1 4.33Å; F176-L253 HydrophobicContact CE1-CB 4.24Å; F176-L253 HydrophobicContact CE2-CB 3.67Å; F176-L253 HydrophobicContact CE2-CD1 3.64Å; F176-L253 HydrophobicContact CE2-CG 4.24Å; F176-L253 HydrophobicContact CZ-CB 3.75Å; F176-L253 HydrophobicContact CZ-CD1 4.26Å; F176-L253 PolarHBondContact N-O 2.8Å; F176-L253 PolarHBondContact O-N 3.01Å; F176-S255 WeakPolarHBondContact CE1-OG 3.26Å; F176-I276 HydrophobicContact CD1-CD1 4.32Å; F176-I276 HydrophobicContact CD2-CG2 4.02Å; F176-I276 HydrophobicContact CE1-CD1 3.76Å; F176-I276 HydrophobicContact CE1-CG2 4.48Å; F176-I276 HydrophobicContact CE2-CG2 3.7Å; F176-I276 HydrophobicContact CG-CG2 4.5Å; F176-I276 HydrophobicContact CZ-CD1 3.95Å; F176-I276 HydrophobicContact CZ-CG2 3.97Å; F176-I287 HydrophobicContact CB-CG2 4.16Å; F176-I287 HydrophobicContact CD2-CG2 3.52Å; F176-I287 HydrophobicContact CE2-CG2 4.27Å; F176-I287 HydrophobicContact CG-CG2 4.16Å; F176-S288 WeakPolarHBondContact CB-O 3.42Å; F176-F289 HydrophobicContact CB-CD1 3.75Å; F176-F289 HydrophobicContact CB-CD2 4.28Å; F176-F289 HydrophobicContact CB-CE1 3.66Å; F176-F289 HydrophobicContact CB-CE2 4.21Å; F176-F289 HydrophobicContact CB-CG 4.05Å; F176-F289 HydrophobicContact CB-CZ 3.9Å; F176-F289 AromaticContact CD1-CE1 3.91Å; F176-F289 HydrophobicContact CD1-CE1 3.91Å; F176-F289 HydrophobicContact CD1-CZ 4.09Å; F176-F289 HydrophobicContact CG-CE1 4.04Å; F176-F289 HydrophobicContact CG-CZ 4.03Å
177R96.8Very high95.3Very high1 Ų131.3 Ų31.30%0.00416%0.157CC..EExtended strand (participates in β ladder)trans-128136.9178.4-74.3-177.6-163.8-88.1-13.5113.2F179 E250 G251 Q252 I287 S288 S298R177-F179 HydrophobicContact CB-CD2 4.26Å; R177-F179 HydrophobicContact CB-CE2 3.53Å; R177-F179 HydrophobicContact CB-CZ 4.01Å; R177-E250 PolarHBondContact NH1-O 3.41Å; R177-G251 CarbonylContact C-O 3.32Å; R177-G251 VanDerWaalsContact CA-O 3.26Å; R177-G251 WeakPolarHBondContact CA-O 3.37Å; R177-Q252 HydrophobicContact CG-CB 4.16Å; R177-Q252 HydrophobicContact CG-CG 4.29Å; R177-I287 CarbonylContact O-C 3.54Å; R177-I287 WeakPolarHBondContact O-CA 3.5Å; R177-S288 PolarHBondContact N-O 3.32Å; R177-S288 PolarHBondContact O-N 2.99Å; R177-S298 PolarHBondContact NH2-O 2.71Å; R177-S298 PolarHBondContact NH2-OG 3.46Å
178A97.2Very high95Very high0 Ų027.9 Ų27.90%015%0.148CC..EExtended strand (participates in β ladder)trans-94.8133.5169.500000111.2Y208 Y223 G251 L253 M285 I287A178-Y208 PolarHBondContact O-N 2.85Å; A178-Y223 HydrophobicContact CB-CE1 3.92Å; A178-G251 PolarHBondContact N-O 3.41Å; A178-L253 HydrophobicContact CB-CD1 4.1Å; A178-M285 HydrophobicContact CB-CG 4.5Å; A178-M285 HydrophobicContact CB-SD 4.02Å; A178-I287 HydrophobicContact CB-CD1 3.7Å
179F97.1Very high94.5Very high0 Ų028.6 Ų28.60%015%0.152CC..EExtended strand (participates in β ladder)trans-123.6155.7175.9-63.7-91.8000110.5R177 K181 F184 P205 V206 P207 M285 E286 P293 L294 L504R177-F179 HydrophobicContact CB-CD2 4.26Å; R177-F179 HydrophobicContact CB-CE2 3.53Å; R177-F179 HydrophobicContact CB-CZ 4.01Å; F179-K181 PolarHBondContact O-N 2.85Å; F179-F184 HydrophobicContact CB-CD1 4.43Å; F179-F184 HydrophobicContact CB-CE1 3.82Å; F179-F184 AromaticContact CD2-CE1 3.49Å; F179-F184 HydrophobicContact CD2-CE1 3.49Å; F179-F184 VanDerWaalsContact CD2-CE1 3.49Å; F179-F184 HydrophobicContact CD2-CZ 4.03Å; F179-F184 HydrophobicContact CE2-CE1 4.22Å; F179-F184 AromaticContact CG-CE1 3.78Å; F179-F184 HydrophobicContact CG-CE1 3.78Å; F179-P205 HydrophobicContact CD1-CB 3.72Å; F179-P205 HydrophobicContact CD1-CG 4.44Å; F179-P205 HydrophobicContact CE1-CB 3.73Å; F179-P205 HydrophobicContact CE1-CG 3.96Å; F179-V206 CarbonylContact C-O 3.53Å; F179-V206 VanDerWaalsContact CA-O 3.29Å; F179-V206 WeakPolarHBondContact CA-O 3.27Å; F179-V206 WeakPolarHBondContact CB-O 3.46Å; F179-P207 HydrophobicContact CE1-CG 4.43Å; F179-M285 WeakPolarHBondContact O-CA 3.32Å; F179-E286 HydrophobicContact CB-CB 4.47Å; F179-E286 PolarHBondContact N-O 3.41Å; F179-E286 PolarHBondContact O-N 3.48Å; F179-P293 HydrophobicContact CE2-CG 4.33Å; F179-P293 HydrophobicContact CZ-CB 3.92Å; F179-P293 HydrophobicContact CZ-CG 3.77Å; F179-L294 HydrophobicContact CE1-CD1 4.39Å; F179-L294 HydrophobicContact CE1-CD2 4.28Å; F179-L294 HydrophobicContact CE1-CG 4.36Å; F179-L504 HydrophobicContact CE2-CD1 4.39Å
180E96.1Very high94Very high87 Ų8732.9 Ų32.941%0.40717%0.17SC..EExtended strand (participates in β ladder)trans-59135.7168.3-67.1-177.3-170.200110T183 V206E180-T183 HydrophobicContact CB-CG2 3.99Å; E180-T183 WeakPolarHBondContact O-CB 3.43Å; E180-T183 VanDerWaalsContact O-CG2 3.24Å; E180-T183 WeakPolarHBondContact O-CG2 3.43Å; E180-T183 PolarHBondContact O-N 2.87Å; E180-T183 PolarHBondContact O-OG1 2.86Å; E180-V206 HydrophobicContact CB-CB 4.26Å; E180-V206 VanDerWaalsContact CD-CG1 3.43Å; E180-V206 HydrophobicContact CG-CB 4.18Å; E180-V206 HydrophobicContact CG-CG1 4Å; E180-V206 PolarHBondContact N-O 3.06Å; E180-V206 WeakPolarHBondContact OE1-CG1 3.35Å
181K93Very high93.2Very high114 Ų11433.8 Ų33.850%0.49618%0.176SC..THydrogen-bonded Turntrans-63134.3-176.9176.1171.8173-179.40113.2F179 K281 D284F179-K181 PolarHBondContact O-N 2.85Å; K181-K281 PolarHBondContact NZ-O 3.3Å; K181-D284 WeakPolarHBondContact CB-O 3.19Å; K181-D284 HydrophobicContact CD-CB 4.25Å; K181-D284 WeakPolarHBondContact CD-OD1 3.28Å; K181-D284 PolarHBondContact N-O 3.45Å; K181-D284 IonicContact NZ-OD1 3.78Å; K181-D284 PolarHBondContact NZ-OD1 3.03Å
182G91.3Very high92Very high41 Ų4136.3 Ų36.342%0.42319%0.191SC..THydrogen-bonded Turntrans87.910.4179.200000113.5E286G182-E286 PolarHBondContact N-OE2 3.24Å
183T91.5Very high90.6Very high15 Ų1544.8 Ų44.89%0.09223%0.228CC..  trans-90.4-24.7177.961.20000112.3E180 E185 T186 T187 V206 E286E180-T183 HydrophobicContact CB-CG2 3.99Å; E180-T183 WeakPolarHBondContact O-CB 3.43Å; E180-T183 VanDerWaalsContact O-CG2 3.24Å; E180-T183 WeakPolarHBondContact O-CG2 3.43Å; E180-T183 PolarHBondContact O-N 2.87Å; E180-T183 PolarHBondContact O-OG1 2.86Å; T183-E185 PolarHBondContact O-N 2.83Å; T183-T186 PolarHBondContact O-N 2.94Å; T183-T186 PolarHBondContact O-OG1 3.03Å; T183-T187 PolarHBondContact O-N 3.01Å; T183-V206 HydrophobicContact CG2-CB 4.05Å; T183-V206 HydrophobicContact CG2-CG2 4Å; T183-E286 PolarHBondContact N-OE2 2.94Å; T183-E286 VanDerWaalsContact N-OE2 3.09Å
184F91.7Very high88.8Confident10 Ų1047.2 Ų47.24%0.04425%0.245CC..THydrogen-bonded Turntrans-55.8-55.9-176.4-83.120.8000113F179 T186 T187 C188 E286 L504 K505F179-F184 HydrophobicContact CB-CD1 4.43Å; F179-F184 HydrophobicContact CB-CE1 3.82Å; F179-F184 AromaticContact CD2-CE1 3.49Å; F179-F184 HydrophobicContact CD2-CE1 3.49Å; F179-F184 VanDerWaalsContact CD2-CE1 3.49Å; F179-F184 HydrophobicContact CD2-CZ 4.03Å; F179-F184 HydrophobicContact CE2-CE1 4.22Å; F179-F184 AromaticContact CG-CE1 3.78Å; F179-F184 HydrophobicContact CG-CE1 3.78Å; F184-T186 VanDerWaalsContact C-N 3.28Å; F184-T186 PolarHBondContact O-N 3.03Å; F184-T187 WeakPolarHBondContact O-CG2 3.45Å; F184-T187 PolarHBondContact O-N 3.45Å; F184-C188 PolarHBondContact O-SG 3.49Å; F184-E286 WeakPolarHBondContact CB-OE2 3.33Å; F184-E286 HydrophobicContact CD1-CB 3.74Å; F184-E286 HydrophobicContact CD1-CG 4.39Å; F184-E286 WeakPolarHBondContact CD1-OE2 3.39Å; F184-E286 HydrophobicContact CD2-CB 4.2Å; F184-E286 HydrophobicContact CE1-CB 3.47Å; F184-E286 VanDerWaalsContact CE1-CB 3.47Å; F184-E286 HydrophobicContact CE2-CB 3.94Å; F184-E286 HydrophobicContact CG-CB 4.12Å; F184-E286 HydrophobicContact CG-CG 4.4Å; F184-E286 WeakPolarHBondContact CG-OE2 3.34Å; F184-E286 HydrophobicContact CZ-CB 3.57Å; F184-E286 PolarHBondContact N-OE2 2.77Å; F184-E286 VanDerWaalsContact N-OE2 3.08Å; F184-L504 HydrophobicContact CB-CD2 3.95Å; F184-L504 HydrophobicContact CD1-CD2 3.58Å; F184-L504 HydrophobicContact CD1-CG 3.94Å; F184-L504 HydrophobicContact CD2-CD2 4.12Å; F184-L504 HydrophobicContact CD2-CG 3.93Å; F184-L504 HydrophobicContact CE1-CD1 4.14Å; F184-L504 HydrophobicContact CE1-CD2 4.03Å; F184-L504 HydrophobicContact CE1-CG 3.93Å; F184-L504 HydrophobicContact CE2-CG 3.95Å; F184-L504 WeakPolarHBondContact CE2-O 3.21Å; F184-L504 HydrophobicContact CG-CD2 3.61Å; F184-L504 HydrophobicContact CG-CG 3.93Å; F184-L504 HydrophobicContact CZ-CD1 4.24Å; F184-L504 HydrophobicContact CZ-CG 3.95Å; F184-K505 HydrophobicContact CD2-CB 4.33Å
185E85.8Confident86.8Confident106 Ų10659.1 Ų59.150%0.49529%0.29SS..G310 helixtrans-63-36.3-176.2-72.975.2-164.900112.2T183 T187 K505T183-E185 PolarHBondContact O-N 2.83Å; E185-T187 PolarHBondContact O-N 3.45Å; E185-K505 IonicContact OE1-NZ 3.58Å; E185-K505 PolarHBondContact OE1-NZ 3.23Å; E185-K505 VanDerWaalsContact OE1-NZ 3.08Å
186T89.2Confident84.6Confident62 Ų6265 Ų6538%0.3832%0.318SS..G310 helixtrans-72.7-13.8-17868.40000114T183 F184 F202 K203T183-T186 PolarHBondContact O-N 2.94Å; T183-T186 PolarHBondContact O-OG1 3.03Å; F184-T186 VanDerWaalsContact C-N 3.28Å; F184-T186 PolarHBondContact O-N 3.03Å; T186-F202 WeakPolarHBondContact O-CA 3.32Å; T186-K203 PolarHBondContact O-N 2.92Å
187T90.9Very high82.5Confident0 Ų068.4 Ų68.40%034%0.339CS..G310 helixtrans-101.9-4.8-176.2-1590000114.5T183 F184 E185 K203 P205 A497 R500 L504T183-T187 PolarHBondContact O-N 3.01Å; F184-T187 WeakPolarHBondContact O-CG2 3.45Å; F184-T187 PolarHBondContact O-N 3.45Å; E185-T187 PolarHBondContact O-N 3.45Å; T187-K203 WeakPolarHBondContact CA-O 3.34Å; T187-K203 WeakPolarHBondContact CB-O 3.48Å; T187-K203 PolarHBondContact OG1-O 3.48Å; T187-P205 HydrophobicContact CG2-CB 3.86Å; T187-P205 HydrophobicContact CG2-CG 4.19Å; T187-P205 WeakPolarHBondContact OG1-CD 3.4Å; T187-A497 WeakPolarHBondContact O-CB 3.37Å; T187-R500 PolarHBondContact O-NE 3.22Å; T187-R500 PolarHBondContact O-NH2 2.97Å; T187-R500 PolarHBondContact OG1-NE 3.18Å; T187-R500 PolarHBondContact OG1-NH2 3.37Å; T187-R500 VanDerWaalsContact OG1-NH2 3.1Å; T187-L504 HydrophobicContact CG2-CD2 3.46Å; T187-L504 VanDerWaalsContact CG2-CD2 3.46Å
188C91.3Very high80.2Confident27 Ų2774.6 Ų74.618%0.18237%0.371CS..  trans-95.1137.7-176.5-650000111F184 Y501F184-C188 PolarHBondContact O-SG 3.49Å; C188-Y501 HydrophobicContact CB-CD2 3.97Å; C188-Y501 HydrophobicContact CB-CG 4.42Å
189L89.2Confident78.2Confident19 Ų1983 Ų8310%0.09942%0.416CS..  trans-115.5134.6165.2-71.4-178.8000108.9P191 C200 F202 E494 A497 F498 Y501L189-P191 WeakPolarHBondContact O-CD 3.29Å; L189-C200 HydrophobicContact CD2-CB 3.75Å; L189-F202 HydrophobicContact CD1-CD1 3.56Å; L189-F202 HydrophobicContact CD1-CE1 3.95Å; L189-F202 HydrophobicContact CD1-CG 4.3Å; L189-F202 HydrophobicContact CD2-CB 4.07Å; L189-F202 HydrophobicContact CD2-CD1 4.23Å; L189-F202 HydrophobicContact CG-CB 4.11Å; L189-F202 HydrophobicContact CG-CD1 3.92Å; L189-F202 HydrophobicContact CG-CG 4.2Å; L189-E494 HydrophobicContact CD1-CG 3.91Å; L189-A497 HydrophobicContact CB-CB 3.92Å; L189-A497 HydrophobicContact CD1-CB 3.9Å; L189-A497 HydrophobicContact CG-CB 3.72Å; L189-A497 PolarHBondContact N-O 2.93Å; L189-F498 HydrophobicContact CB-CD1 3.59Å; L189-F498 HydrophobicContact CB-CE1 3.57Å; L189-F498 HydrophobicContact CD1-CE1 4.16Å; L189-F498 HydrophobicContact CD1-CZ 4.4Å; L189-F498 WeakPolarHBondContact O-CA 3.31Å; L189-F498 WeakPolarHBondContact O-CD1 3.31Å; L189-Y501 WeakPolarHBondContact O-CB 3.34Å
190K87.5Confident76.5Confident143 Ų14387.6 Ų87.662%0.62245%0.446SS*.  trans-71126.3175-175.1175.5-178.7178.80109.2F498 Y501K190-F498 WeakPolarHBondContact O-CE1 3.32Å; K190-Y501 HydrophobicContact CB-CD2 4.17Å; K190-Y501 HydrophobicContact CB-CE1 4.35Å; K190-Y501 HydrophobicContact CB-CE2 3.86Å; K190-Y501 HydrophobicContact CG-CE1 3.94Å; K190-Y501 HydrophobicContact CG-CE2 4.2Å
191P82.1Confident75.6Confident20 Ų2089.1 Ų89.113%0.1347%0.467CS..  trans-59.8138.7176.6-18.929.2000111.2L189 L483 F498 E502L189-P191 WeakPolarHBondContact O-CD 3.29Å; P191-L483 HydrophobicContact CB-CD2 3.97Å; P191-L483 HydrophobicContact CG-CD2 3.42Å; P191-L483 VanDerWaalsContact CG-CD2 3.42Å; P191-F498 HydrophobicContact CB-CB 4.45Å; P191-F498 HydrophobicContact CB-CD1 4.32Å; P191-F498 HydrophobicContact CG-CB 4.06Å; P191-F498 HydrophobicContact CG-CD1 4.37Å; P191-E502 HydrophobicContact CG-CG 4.44Å
192T74Confident75.3Confident59 Ų5986.6 Ų86.636%0.36246%0.456SS..  trans-130138.1174.956.50000110T194T192-T194 VanDerWaalsContact C-N 3.27Å; T192-T194 PolarHBondContact O-N 2.82Å; T192-T194 PolarHBondContact OG1-O 2.81Å
193K67.3Low75.3Confident180 Ų18091.5 Ų91.578%0.78347%0.466SS*.SBendtrans-73.5-21.3179.4-67.8-173.7178.9-177.40112.6
194T61.3Low75.3Confident87 Ų8795.5 Ų95.553%0.53449%0.486SS..SBendtrans-97.1130.7176.146.30000108.9T192 E196T192-T194 VanDerWaalsContact C-N 3.27Å; T192-T194 PolarHBondContact O-N 2.82Å; T192-T194 PolarHBondContact OG1-O 2.81Å; T194-E196 PolarHBondContact O-N 2.84Å
195R54.3Low75.3Confident249 Ų24995.3 Ų95.394%0.9449%0.486SS*.SBendtrans-62.916.9173.1-87.8-175171.9-178.5-2.6114.5T197R195-T197 PolarHBondContact O-N 3.22Å
196E52.4Low75.7Confident146 Ų14692.1 Ų92.168%0.68247%0.473SS*.  trans-74.862.5167.8-67.8-174.5174.200109.1T194 N198T194-E196 PolarHBondContact O-N 2.84Å; E196-N198 PolarHBondContact O-N 3.33Å
197T51.9Low76Confident71 Ų7189.5 Ų89.544%0.43646%0.458SS..  trans-75.477.9164.549.30000106.6R195 L199 E494 F498R195-T197 PolarHBondContact O-N 3.22Å; T197-L199 PolarHBondContact O-N 2.88Å; T197-E494 WeakPolarHBondContact CG2-OE1 3.45Å; T197-F498 HydrophobicContact CG2-CZ 4.21Å
198N50.1Low76.2Confident130 Ų13093.4 Ų93.470%0.69547%0.473SS*.  trans-56.894.2162.1-83.2-29.8000107.4E196 C200E196-N198 PolarHBondContact O-N 3.33Å; N198-C200 PolarHBondContact O-N 3.25Å; N198-C200 PolarHBondContact O-SG 3.44Å; N198-C200 VanDerWaalsContact O-SG 3.38Å
199L54.4Low76.3Confident178 Ų17892.8 Ų92.893%0.93247%0.468SS*.  trans2839.2152.8-78.9152000117.3T197 S201T197-L199 PolarHBondContact O-N 2.88Å; L199-S201 PolarHBondContact O-N 2.84Å; L199-S201 VanDerWaalsContact O-N 3.12Å
200C62Low76.3Confident95 Ų9597.9 Ų97.964%0.64249%0.49SS*.  trans-77.5106.7177.7-830000107.2L189 N198 F202L189-C200 HydrophobicContact CD2-CB 3.75Å; N198-C200 PolarHBondContact O-N 3.25Å; N198-C200 PolarHBondContact O-SG 3.44Å; N198-C200 VanDerWaalsContact O-SG 3.38Å; C200-F202 PolarHBondContact O-N 2.97Å
201S76.4Confident76Confident119 Ų11998.7 Ų98.783%0.83249%0.493SS*.  trans-66.6124.8171.261.10000109.5L199L199-S201 PolarHBondContact O-N 2.84Å; L199-S201 VanDerWaalsContact O-N 3.12Å
202F86.1Confident76Confident61 Ų61101.3 Ų101.327%0.26851%0.511SS..  trans-111.3160.5164.965.5-82.4000109.3T186 L189 C200 L204 E493 E494 A497T186-F202 WeakPolarHBondContact O-CA 3.32Å; L189-F202 HydrophobicContact CD1-CD1 3.56Å; L189-F202 HydrophobicContact CD1-CE1 3.95Å; L189-F202 HydrophobicContact CD1-CG 4.3Å; L189-F202 HydrophobicContact CD2-CB 4.07Å; L189-F202 HydrophobicContact CD2-CD1 4.23Å; L189-F202 HydrophobicContact CG-CB 4.11Å; L189-F202 HydrophobicContact CG-CD1 3.92Å; L189-F202 HydrophobicContact CG-CG 4.2Å; C200-F202 PolarHBondContact O-N 2.97Å; F202-L204 HydrophobicContact CE2-CD2 4.34Å; F202-E493 HydrophobicContact CE2-CB 3.99Å; F202-E493 HydrophobicContact CZ-CB 3.87Å; F202-E494 HydrophobicContact CE1-CB 4.36Å; F202-A497 HydrophobicContact CD1-CB 4.48Å; F202-A497 HydrophobicContact CD2-CB 4.08Å; F202-A497 HydrophobicContact CE2-CB 4.23Å; F202-A497 HydrophobicContact CG-CB 4.21Å; F202-A497 HydrophobicContact CZ-CB 4.48Å
203K91.5Very high76.4Confident144 Ų144101.6 Ų101.663%0.62651%0.511SS*.  trans-105.3154.7171.8-65.5-176.9-179.6179.70109.8T186 T187T186-K203 PolarHBondContact O-N 2.92Å; T187-K203 WeakPolarHBondContact CA-O 3.34Å; T187-K203 WeakPolarHBondContact CB-O 3.48Å; T187-K203 PolarHBondContact OG1-O 3.48Å
204L91.4Very high77.4Confident100 Ų10096.2 Ų96.252%0.52449%0.49SS..  trans-69.3142.8167.8-61.3-179.4000109.1F202 E493F202-L204 HydrophobicContact CE2-CD2 4.34Å; L204-E493 HydrophobicContact CD2-CB 4.43Å; L204-E493 HydrophobicContact CD2-CG 3.87Å; L204-E493 WeakPolarHBondContact CD2-OE2 3.37Å
205P91.6Very high78.8Confident5 Ų598.2 Ų98.23%0.03249%0.489CS..  trans-68.6145.4172.628.4-21.4000107.6F179 T187 P207 L294F179-P205 HydrophobicContact CD1-CB 3.72Å; F179-P205 HydrophobicContact CD1-CG 4.44Å; F179-P205 HydrophobicContact CE1-CB 3.73Å; F179-P205 HydrophobicContact CE1-CG 3.96Å; T187-P205 HydrophobicContact CG2-CB 3.86Å; T187-P205 HydrophobicContact CG2-CG 4.19Å; T187-P205 WeakPolarHBondContact OG1-CD 3.4Å; P205-P207 WeakPolarHBondContact O-CD 3.45Å; P205-L294 HydrophobicContact CG-CD2 3.75Å
206V94.8Very high80.6Confident39 Ų3992.8 Ų92.824%0.23647%0.468CS..  trans-102.7110.3-176.4-171.60000108F179 E180 T183F179-V206 CarbonylContact C-O 3.53Å; F179-V206 VanDerWaalsContact CA-O 3.29Å; F179-V206 WeakPolarHBondContact CA-O 3.27Å; F179-V206 WeakPolarHBondContact CB-O 3.46Å; E180-V206 HydrophobicContact CB-CB 4.26Å; E180-V206 VanDerWaalsContact CD-CG1 3.43Å; E180-V206 HydrophobicContact CG-CB 4.18Å; E180-V206 HydrophobicContact CG-CG1 4Å; E180-V206 PolarHBondContact N-O 3.06Å; E180-V206 WeakPolarHBondContact OE1-CG1 3.35Å; T183-V206 HydrophobicContact CG2-CB 4.05Å; T183-V206 HydrophobicContact CG2-CG2 4Å
207P95.4Very high82.6Confident8 Ų890.8 Ų90.85%0.05247%0.466CS..BIsolated β-bridgetrans-58.6141.8174-25.338000109.9F179 P205 T209 E250 L294F179-P207 HydrophobicContact CE1-CG 4.43Å; P205-P207 WeakPolarHBondContact O-CD 3.45Å; P207-T209 WeakPolarHBondContact CB-O 3.24Å; P207-T209 PolarHBondContact O-N 3.05Å; P207-E250 HydrophobicContact CB-CB 3.8Å; P207-E250 HydrophobicContact CG-CB 3.84Å; P207-L294 HydrophobicContact CG-CD1 3.67Å
208Y95.4Very high84.5Confident81 Ų8190.9 Ų90.932%0.31847%0.47SS..SBendtrans-60.6-31.1-178.7-168.2-98.9000111.6A178 V222 Y223 M285A178-Y208 PolarHBondContact O-N 2.85Å; Y208-V222 HydrophobicContact CD1-CG1 4.27Å; Y208-V222 HydrophobicContact CE1-CG1 3.8Å; Y208-Y223 HydrophobicContact CD1-CD1 4.35Å; Y208-Y223 AromaticContact CD1-CE1 3.53Å; Y208-Y223 HydrophobicContact CD1-CE1 3.53Å; Y208-Y223 AromaticContact CD1-CZ 3.94Å; Y208-Y223 HydrophobicContact CE1-CE1 4.27Å; Y208-Y223 HydrophobicContact CG-CE1 4.3Å; Y208-M285 HydrophobicContact CD1-CE 3.72Å; Y208-M285 HydrophobicContact CD1-CG 4.47Å; Y208-M285 HydrophobicContact CD1-SD 4.42Å; Y208-M285 HydrophobicContact CD2-CE 4.39Å; Y208-M285 HydrophobicContact CD2-CG 3.64Å; Y208-M285 HydrophobicContact CE1-CE 3.3Å; Y208-M285 HydrophobicContact CE1-SD 4.48Å; Y208-M285 HydrophobicContact CE2-CE 4.04Å; Y208-M285 HydrophobicContact CE2-CG 3.68Å; Y208-M285 HydrophobicContact CG-CE 4.25Å; Y208-M285 HydrophobicContact CG-CG 4.05Å; Y208-M285 HydrophobicContact CG-SD 4.46Å; Y208-M285 VanDerWaalsContact CZ-CE 3.47Å
209T94Very high86.4Confident15 Ų1585.4 Ų85.49%0.09244%0.44CS..  trans-128.8141167.459.50000111.1P207 L219 V222 Y223 E250 G251P207-T209 WeakPolarHBondContact CB-O 3.24Å; P207-T209 PolarHBondContact O-N 3.05Å; T209-L219 HydrophobicContact CG2-CD1 3.61Å; T209-V222 HydrophobicContact CG2-CB 4.32Å; T209-V222 HydrophobicContact CG2-CG1 3.87Å; T209-Y223 WeakPolarHBondContact CB-OH 3.27Å; T209-Y223 HydrophobicContact CG2-CE2 3.64Å; T209-Y223 WeakPolarHBondContact CG2-OH 3.5Å; T209-Y223 PolarHBondContact N-OH 2.88Å; T209-Y223 PolarHBondContact OG1-OH 3.35Å; T209-E250 CarbonylContact O-C 3.54Å; T209-G251 PolarHBondContact O-N 3.3Å
210K87.4Confident88.3Confident125 Ų12578.9 Ų78.954%0.54341%0.406SS..  trans-103.71.6-173-59-178.5-176.8175.70114.7E250K210-E250 VanDerWaalsContact O-OE1 3.12Å
211F82.5Confident89.9Confident160 Ų16077.1 Ų77.170%0.70240%0.395SS*.  trans-100.9138.4179.7-59.1-75.9000109.7L219F211-L219 WeakPolarHBondContact O-CD2 3.4Å
212C81.1Confident90.7Very high75 Ų7574.8 Ų74.851%0.50738%0.375SS..  trans-100.5102.5174-63.40000107.6D248 E250C212-D248 WeakPolarHBondContact CA-O 3.36Å; C212-D248 WeakPolarHBondContact CB-O 3.35Å; C212-E250 VanDerWaalsContact SG-CG 3.56Å
213D82.2Confident91.2Very high65 Ų6572 Ų7235%0.34836%0.363SS..  trans-153.890.2176.7-165.5-7.8000109.1Y215 R216 N246D213-Y215 PolarHBondContact O-N 3.04Å; D213-R216 HydrophobicContact CB-CB 3.69Å; D213-R216 HydrophobicContact CB-CG 4.17Å; D213-R216 VanDerWaalsContact O-CB 3.24Å; D213-R216 WeakPolarHBondContact O-CB 3.42Å; D213-R216 PolarHBondContact O-N 2.81Å; D213-R216 WeakPolarHBondContact OD2-CB 3.3Å; D213-R216 WeakPolarHBondContact OD2-CD 3.1Å; D213-R216 VanDerWaalsContact OD2-CG 3.25Å; D213-R216 WeakPolarHBondContact OD2-CG 3.44Å; D213-R216 IonicContact OD2-CZ 3.85Å; D213-R216 IonicContact OD2-NE 3.78Å; D213-R216 IonicContact OD2-NH1 3.23Å; D213-R216 PolarHBondContact OD2-NH1 3.25Å; D213-N246 PolarHBondContact O-ND2 3.21Å
214I88.9Confident91.4Very high67 Ų6769.2 Ų69.234%0.34435%0.352SS..THydrogen-bonded Turntrans-54130.5-175.8-165.2173.6000110.9R216 E247I214-R216 PolarHBondContact O-N 2.77Å; I214-E247 VanDerWaalsContact CD1-OE2 3.31Å; I214-E247 WeakPolarHBondContact CD1-OE2 3.34Å
215Y90.6Very high91.7Very high130 Ų13070.4 Ų70.451%0.5136%0.359SS..THydrogen-bonded Turntrans60.811.4179.3-46.7-43.4000116.6D213 T217 N246 E247D213-Y215 PolarHBondContact O-N 3.04Å; Y215-T217 PolarHBondContact O-N 3.38Å; Y215-N246 PolarHBondContact N-ND2 2.57Å; Y215-N246 PolarHBondContact N-O 3.13Å; Y215-N246 VanDerWaalsContact N-O 3.16Å; Y215-E247 WeakPolarHBondContact CE1-OE1 3.33Å; Y215-E247 PolarHBondContact OH-OE1 3.02Å
216R92.7Very high92Very high135 Ų13570.2 Ų70.251%0.50936%0.358SS..  trans-66.8117.4178-176.665.2175-131.712111.3D213 I214 S218 L219 L220 N246D213-R216 HydrophobicContact CB-CB 3.69Å; D213-R216 HydrophobicContact CB-CG 4.17Å; D213-R216 VanDerWaalsContact O-CB 3.24Å; D213-R216 WeakPolarHBondContact O-CB 3.42Å; D213-R216 PolarHBondContact O-N 2.81Å; D213-R216 WeakPolarHBondContact OD2-CB 3.3Å; D213-R216 WeakPolarHBondContact OD2-CD 3.1Å; D213-R216 VanDerWaalsContact OD2-CG 3.25Å; D213-R216 WeakPolarHBondContact OD2-CG 3.44Å; D213-R216 IonicContact OD2-CZ 3.85Å; D213-R216 IonicContact OD2-NE 3.78Å; D213-R216 IonicContact OD2-NH1 3.23Å; D213-R216 PolarHBondContact OD2-NH1 3.25Å; I214-R216 PolarHBondContact O-N 2.77Å; R216-S218 VanDerWaalsContact C-N 3.27Å; R216-S218 VanDerWaalsContact CG-OG 3.29Å; R216-S218 WeakPolarHBondContact CG-OG 3.18Å; R216-S218 PolarHBondContact NE-OG 2.89Å; R216-S218 PolarHBondContact O-N 2.99Å; R216-S218 VanDerWaalsContact O-N 3.13Å; R216-L219 HydrophobicContact CB-CB 4.17Å; R216-L219 HydrophobicContact CG-CB 4.48Å; R216-L219 WeakPolarHBondContact O-CA 3.23Å; R216-L219 WeakPolarHBondContact O-CB 3.41Å; R216-L219 PolarHBondContact O-N 2.93Å; R216-L220 PolarHBondContact O-N 2.62Å; R216-N246 PolarHBondContact O-OD1 2.71Å
217T93.2Very high92.1Very high103 Ų10368.7 Ų68.763%0.63235%0.348SS*.Hα-helixtrans-52.4-40.4-179.6-49.80000113.8Y215 L219 L220 S221Y215-T217 PolarHBondContact O-N 3.38Å; T217-L219 PolarHBondContact O-N 3.3Å; T217-L220 PolarHBondContact O-N 2.99Å; T217-S221 WeakPolarHBondContact O-CB 3.29Å; T217-S221 PolarHBondContact O-N 2.97Å; T217-S221 PolarHBondContact O-OG 3.09Å
218S91.8Very high92.2Very high74 Ų7473.4 Ų73.452%0.51737%0.372SS..Hα-helixtrans-68.5-20.7179.156.40000114.1R216 S221R216-S218 VanDerWaalsContact C-N 3.27Å; R216-S218 VanDerWaalsContact CG-OG 3.29Å; R216-S218 WeakPolarHBondContact CG-OG 3.18Å; R216-S218 PolarHBondContact NE-OG 2.89Å; R216-S218 PolarHBondContact O-N 2.99Å; R216-S218 VanDerWaalsContact O-N 3.13Å; S218-S221 PolarHBondContact O-OG 3.09Å
219L91.8Very high92.2Very high14 Ų1471.5 Ų71.57%0.07337%0.367CS..Hα-helixtrans-88.5-44.3173.4-175.154.8000110.3T209 F211 R216 T217 S221 V222 Y223 N246T209-L219 HydrophobicContact CG2-CD1 3.61Å; F211-L219 WeakPolarHBondContact O-CD2 3.4Å; R216-L219 HydrophobicContact CB-CB 4.17Å; R216-L219 HydrophobicContact CG-CB 4.48Å; R216-L219 WeakPolarHBondContact O-CA 3.23Å; R216-L219 WeakPolarHBondContact O-CB 3.41Å; R216-L219 PolarHBondContact O-N 2.93Å; T217-L219 PolarHBondContact O-N 3.3Å; L219-S221 VanDerWaalsContact C-N 3.27Å; L219-S221 PolarHBondContact O-N 2.95Å; L219-V222 WeakPolarHBondContact O-CB 3.25Å; L219-V222 PolarHBondContact O-N 3.13Å; L219-Y223 HydrophobicContact CD1-CE2 4.37Å; L219-Y223 WeakPolarHBondContact O-CD2 3.39Å; L219-N246 HydrophobicContact CD2-CB 4.38Å; L219-N246 WeakPolarHBondContact CD2-ND2 3.32Å; L219-N246 HydrophobicContact CG-CB 4.24Å
220L93.5Very high92.4Very high41 Ų4170.8 Ų70.822%0.21536%0.363CS..Hα-helixtrans-54.5-42.2173.6-17959.7000112.2R216 T217 V222 Y223 E224 F227 N246R216-L220 PolarHBondContact O-N 2.62Å; T217-L220 PolarHBondContact O-N 2.99Å; L220-V222 PolarHBondContact O-N 3.39Å; L220-Y223 PolarHBondContact O-N 3.39Å; L220-E224 PolarHBondContact O-N 3.41Å; L220-F227 HydrophobicContact CD1-CD2 4.03Å; L220-F227 HydrophobicContact CD1-CE2 3.7Å; L220-N246 PolarHBondContact N-OD1 3Å
221S94.6Very high92.9Very high58 Ų5866.6 Ų66.641%0.40635%0.346SS..THydrogen-bonded Turntrans-61.2-19.6-178.3670000114.2T217 S218 L219 Y223T217-S221 WeakPolarHBondContact O-CB 3.29Å; T217-S221 PolarHBondContact O-N 2.97Å; T217-S221 PolarHBondContact O-OG 3.09Å; S218-S221 PolarHBondContact O-OG 3.09Å; L219-S221 VanDerWaalsContact C-N 3.27Å; L219-S221 PolarHBondContact O-N 2.95Å; S221-Y223 VanDerWaalsContact C-N 3.27Å
222V94.8Very high93.5Very high71 Ų7164.2 Ų64.243%0.4334%0.337SS..THydrogen-bonded Turntrans-72.9-23.6174.4179.50000111.7Y208 T209 L219 L220Y208-V222 HydrophobicContact CD1-CG1 4.27Å; Y208-V222 HydrophobicContact CE1-CG1 3.8Å; T209-V222 HydrophobicContact CG2-CB 4.32Å; T209-V222 HydrophobicContact CG2-CG1 3.87Å; L219-V222 WeakPolarHBondContact O-CB 3.25Å; L219-V222 PolarHBondContact O-N 3.13Å; L220-V222 PolarHBondContact O-N 3.39Å
223Y95.9Very high94.3Very high1 Ų160.9 Ų60.90%0.00431%0.314CS..THydrogen-bonded Turntrans-106.9-4.5-176.5-63-74.1000113.7A178 Y208 T209 L219 L220 S221 D225 F226 F227 L253 M285A178-Y223 HydrophobicContact CB-CE1 3.92Å; Y208-Y223 HydrophobicContact CD1-CD1 4.35Å; Y208-Y223 AromaticContact CD1-CE1 3.53Å; Y208-Y223 HydrophobicContact CD1-CE1 3.53Å; Y208-Y223 AromaticContact CD1-CZ 3.94Å; Y208-Y223 HydrophobicContact CE1-CE1 4.27Å; Y208-Y223 HydrophobicContact CG-CE1 4.3Å; T209-Y223 WeakPolarHBondContact CB-OH 3.27Å; T209-Y223 HydrophobicContact CG2-CE2 3.64Å; T209-Y223 WeakPolarHBondContact CG2-OH 3.5Å; T209-Y223 PolarHBondContact N-OH 2.88Å; T209-Y223 PolarHBondContact OG1-OH 3.35Å; L219-Y223 HydrophobicContact CD1-CE2 4.37Å; L219-Y223 WeakPolarHBondContact O-CD2 3.39Å; L220-Y223 PolarHBondContact O-N 3.39Å; S221-Y223 VanDerWaalsContact C-N 3.27Å; Y223-D225 PolarHBondContact O-N 2.83Å; Y223-F226 WeakPolarHBondContact O-CB 3.47Å; Y223-F226 PolarHBondContact O-N 2.77Å; Y223-F226 VanDerWaalsContact O-N 3.09Å; Y223-F227 VanDerWaalsContact CB-CE2 3.46Å; Y223-F227 HydrophobicContact CG-CE2 4.36Å; Y223-F227 WeakPolarHBondContact O-CD2 3.27Å; Y223-F227 PolarHBondContact O-N 3.37Å; Y223-L253 HydrophobicContact CD1-CD1 3.75Å; Y223-L253 HydrophobicContact CD1-CD2 3.97Å; Y223-L253 HydrophobicContact CD1-CG 4.5Å; Y223-L253 HydrophobicContact CD2-CD2 3.58Å; Y223-L253 HydrophobicContact CE1-CD1 3.85Å; Y223-L253 HydrophobicContact CE1-CD2 4.04Å; Y223-L253 HydrophobicContact CE1-CG 4.42Å; Y223-L253 HydrophobicContact CE2-CD2 3.66Å; Y223-L253 HydrophobicContact CG-CD1 4.25Å; Y223-L253 HydrophobicContact CG-CD2 3.73Å; Y223-M285 HydrophobicContact CD1-CE 3.9Å; Y223-M285 HydrophobicContact CD1-SD 4.35Å; Y223-M285 HydrophobicContact CE1-CE 4.14Å; Y223-M285 HydrophobicContact CE1-SD 4.36Å
224E96.1Very high95Very high87 Ų8757.8 Ų57.841%0.40730%0.298SS..Hα-helixtrans-56.2-47.3-174.4-82172.6-177.400112.9L220 F226 F227 I228L220-E224 PolarHBondContact O-N 3.41Å; E224-F226 VanDerWaalsContact C-N 3.27Å; E224-F226 PolarHBondContact O-N 2.81Å; E224-F227 PolarHBondContact O-N 2.85Å; E224-I228 WeakPolarHBondContact O-CB 3.35Å; E224-I228 WeakPolarHBondContact O-CD1 3.48Å; E224-I228 WeakPolarHBondContact O-CG1 3.2Å; E224-I228 PolarHBondContact O-N 3.29Å
225D96.7Very high95.3Very high124 Ų12460 Ų6066%0.66330%0.304SS*.Hα-helixtrans-60.8-38178.1-77.1-18.6000112.3Y223 D229 H283Y223-D225 PolarHBondContact O-N 2.83Å; D225-D229 PolarHBondContact O-N 3.27Å; D225-D229 VanDerWaalsContact O-N 3.11Å; D225-H283 PolarHBondContact O-CE1 3.24Å; D225-H283 VanDerWaalsContact O-CE1 3.31Å
226F97.6Very high95.5Very high1 Ų157 Ų570%0.00430%0.297CS..Hα-helixtrans-67.3-45.5176.4167.8-116.5000111.5F176 Y223 E224 D229 I230 L253 I276 I279 H283 M285 I287F176-F226 AromaticContact CE2-CE1 3.99Å; F176-F226 HydrophobicContact CE2-CE1 3.99Å; F176-F226 HydrophobicContact CE2-CZ 4.31Å; F176-F226 HydrophobicContact CZ-CE1 4.4Å; Y223-F226 WeakPolarHBondContact O-CB 3.47Å; Y223-F226 PolarHBondContact O-N 2.77Å; Y223-F226 VanDerWaalsContact O-N 3.09Å; E224-F226 VanDerWaalsContact C-N 3.27Å; E224-F226 PolarHBondContact O-N 2.81Å; F226-D229 PolarHBondContact O-N 2.86Å; F226-I230 HydrophobicContact CD1-CD1 4.04Å; F226-I230 HydrophobicContact CD2-CD1 4.13Å; F226-I230 HydrophobicContact CE1-CD1 3.58Å; F226-I230 HydrophobicContact CE2-CD1 3.65Å; F226-I230 HydrophobicContact CE2-CG1 4.17Å; F226-I230 HydrophobicContact CG-CD1 4.32Å; F226-I230 HydrophobicContact CZ-CD1 3.39Å; F226-I230 HydrophobicContact CZ-CG1 4.37Å; F226-I230 WeakPolarHBondContact O-CG1 3.38Å; F226-I230 PolarHBondContact O-N 2.87Å; F226-L253 HydrophobicContact CD1-CD1 4.34Å; F226-L253 HydrophobicContact CE1-CD1 3.96Å; F226-I276 HydrophobicContact CZ-CG2 4.02Å; F226-I279 HydrophobicContact CD2-CG2 3.81Å; F226-I279 HydrophobicContact CE2-CB 4.28Å; F226-I279 HydrophobicContact CE2-CG2 3.82Å; F226-H283 HydrophobicContact CB-CB 4.39Å; F226-H283 HydrophobicContact CD2-CB 4.23Å; F226-H283 AromaticContact CD2-CD2 3.84Å; F226-H283 AromaticContact CD2-CG 4Å; F226-M285 HydrophobicContact CB-CE 4.16Å; F226-M285 HydrophobicContact CD1-SD 4.23Å; F226-M285 HydrophobicContact CD2-SD 4.45Å; F226-M285 HydrophobicContact CG-CE 4.42Å; F226-M285 HydrophobicContact CG-SD 4.15Å; F226-I287 HydrophobicContact CE1-CD1 4.42Å; F226-I287 HydrophobicContact CZ-CD1 3.97Å; F226-I287 HydrophobicContact CZ-CG1 4.23Å
227F97.7Very high95.6Very high8 Ų851.1 Ų51.14%0.03528%0.278CS..Hα-helixtrans-66.9-38.1177-70.4-44.5000112.9F176 L220 Y223 E224 D229 I230 D231 Y244 L253F176-F227 HydrophobicContact CZ-CE1 4.24Å; L220-F227 HydrophobicContact CD1-CD2 4.03Å; L220-F227 HydrophobicContact CD1-CE2 3.7Å; Y223-F227 VanDerWaalsContact CB-CE2 3.46Å; Y223-F227 HydrophobicContact CG-CE2 4.36Å; Y223-F227 WeakPolarHBondContact O-CD2 3.27Å; Y223-F227 PolarHBondContact O-N 3.37Å; E224-F227 PolarHBondContact O-N 2.85Å; F227-D229 VanDerWaalsContact C-N 3.32Å; F227-D229 PolarHBondContact O-N 2.99Å; F227-I230 HydrophobicContact CD1-CD1 4.15Å; F227-I230 PolarHBondContact O-N 2.67Å; F227-D231 WeakPolarHBondContact O-CB 3.23Å; F227-D231 PolarHBondContact O-N 2.96Å; F227-Y244 HydrophobicContact CB-CD1 3.97Å; F227-Y244 HydrophobicContact CB-CD2 4.3Å; F227-Y244 HydrophobicContact CB-CG 3.84Å; F227-Y244 AromaticContact CD1-CD1 3.3Å; F227-Y244 HydrophobicContact CD1-CD1 3.3Å; F227-Y244 HydrophobicContact CD1-CE1 4.14Å; F227-Y244 AromaticContact CD1-CG 3.79Å; F227-Y244 HydrophobicContact CD1-CG 3.79Å; F227-Y244 HydrophobicContact CD2-CG 4.43Å; F227-Y244 AromaticContact CE1-CD1 3.86Å; F227-Y244 HydrophobicContact CE1-CD1 3.86Å; F227-Y244 HydrophobicContact CE1-CG 4.37Å; F227-Y244 AromaticContact CG-CD1 3.8Å; F227-Y244 HydrophobicContact CG-CD1 3.8Å; F227-Y244 AromaticContact CG-CG 3.81Å; F227-Y244 HydrophobicContact CG-CG 3.81Å; F227-L253 HydrophobicContact CE1-CB 4.32Å; F227-L253 HydrophobicContact CE1-CD1 4.23Å; F227-L253 HydrophobicContact CE2-CD2 4.28Å; F227-L253 HydrophobicContact CZ-CB 3.96Å; F227-L253 HydrophobicContact CZ-CD1 4.01Å; F227-L253 HydrophobicContact CZ-CD2 3.75Å; F227-L253 HydrophobicContact CZ-CG 4.09Å
228I96.7Very high95.7Very high106 Ų10653 Ų5354%0.54428%0.284SS..Hα-helixtrans-63.7-39.4175.5-70.4163.8000110.7E224 D231 H232E224-I228 WeakPolarHBondContact O-CB 3.35Å; E224-I228 WeakPolarHBondContact O-CD1 3.48Å; E224-I228 WeakPolarHBondContact O-CG1 3.2Å; E224-I228 PolarHBondContact O-N 3.29Å; I228-D231 PolarHBondContact O-N 3.25Å; I228-H232 VanDerWaalsContact O-CB 3.29Å; I228-H232 WeakPolarHBondContact O-CB 3.01Å; I228-H232 PolarHBondContact O-N 2.61Å
229D96.8Very high96Very high42 Ų4249.6 Ų49.623%0.22526%0.26CS..Hα-helixtrans-66.3-41.1175.3-162.912.7000111.2D225 F226 F227 N233 I279 H283D225-D229 PolarHBondContact O-N 3.27Å; D225-D229 VanDerWaalsContact O-N 3.11Å; F226-D229 PolarHBondContact O-N 2.86Å; F227-D229 VanDerWaalsContact C-N 3.32Å; F227-D229 PolarHBondContact O-N 2.99Å; D229-N233 WeakPolarHBondContact O-CB 3.11Å; D229-N233 PolarHBondContact O-N 2.91Å; D229-N233 VanDerWaalsContact O-N 3.17Å; D229-N233 PolarHBondContact O-ND2 2.92Å; D229-N233 PolarHBondContact OD1-ND2 2.96Å; D229-I279 HydrophobicContact CB-CG2 4Å; D229-I279 WeakPolarHBondContact OD2-CG2 3.29Å; D229-H283 WeakPolarHBondContact CB-NE2 3.45Å; D229-H283 IonicContact OD2-CD2 2.97Å; D229-H283 IonicContact OD2-NE2 2.71Å; D229-H283 PolarHBondContact OD2-NE2 2.97Å
230I97.9Very high96.2Very high0 Ų053.2 Ų53.20%028%0.279CS..Hα-helixtrans-58.1-55.3171.4-67.6162.8000110.6F226 F227 H232 N233 M234 I241 Y244 L272 I276 I279F226-I230 HydrophobicContact CD1-CD1 4.04Å; F226-I230 HydrophobicContact CD2-CD1 4.13Å; F226-I230 HydrophobicContact CE1-CD1 3.58Å; F226-I230 HydrophobicContact CE2-CD1 3.65Å; F226-I230 HydrophobicContact CE2-CG1 4.17Å; F226-I230 HydrophobicContact CG-CD1 4.32Å; F226-I230 HydrophobicContact CZ-CD1 3.39Å; F226-I230 HydrophobicContact CZ-CG1 4.37Å; F226-I230 WeakPolarHBondContact O-CG1 3.38Å; F226-I230 PolarHBondContact O-N 2.87Å; F227-I230 HydrophobicContact CD1-CD1 4.15Å; F227-I230 PolarHBondContact O-N 2.67Å; I230-H232 VanDerWaalsContact C-N 3.35Å; I230-H232 PolarHBondContact O-N 3.26Å; I230-N233 PolarHBondContact O-N 2.83Å; I230-M234 HydrophobicContact CG2-CG 3.93Å; I230-M234 WeakPolarHBondContact O-CB 3.37Å; I230-M234 VanDerWaalsContact O-CG 3.25Å; I230-M234 WeakPolarHBondContact O-CG 3.26Å; I230-M234 PolarHBondContact O-N 2.92Å; I230-I241 HydrophobicContact CG2-CD1 3.82Å; I230-Y244 HydrophobicContact CB-CE1 4.27Å; I230-Y244 HydrophobicContact CG2-CE1 3.86Å; I230-L272 HydrophobicContact CG2-CD1 3.99Å; I230-I276 HydrophobicContact CD1-CG1 3.9Å; I230-I276 HydrophobicContact CG1-CG1 4.27Å; I230-I276 HydrophobicContact CG2-CG1 4.4Å; I230-I279 HydrophobicContact CB-CD1 4.44Å; I230-I279 HydrophobicContact CG1-CB 4.49Å; I230-I279 HydrophobicContact CG1-CD1 3.93Å; I230-I279 HydrophobicContact CG1-CG2 4.16Å
231D97.5Very high96.4Very high37 Ų3752.1 Ų52.120%0.19827%0.273CS..Hα-helixtrans-56.2-48.1-176.7-176.670.9000112.2F227 I228 N233 M234 K235 Y244F227-D231 WeakPolarHBondContact O-CB 3.23Å; F227-D231 PolarHBondContact O-N 2.96Å; I228-D231 PolarHBondContact O-N 3.25Å; D231-N233 PolarHBondContact O-N 3Å; D231-M234 PolarHBondContact O-N 3.38Å; D231-K235 WeakPolarHBondContact O-CB 3.42Å; D231-K235 WeakPolarHBondContact O-CG 3.47Å; D231-K235 PolarHBondContact O-N 2.86Å; D231-K235 WeakPolarHBondContact OD1-CE 3.35Å; D231-K235 IonicContact OD1-NZ 3.31Å; D231-K235 PolarHBondContact OD1-NZ 2.88Å; D231-K235 VanDerWaalsContact OD2-CE 3.31Å; D231-K235 WeakPolarHBondContact OD2-CE 3.17Å; D231-K235 IonicContact OD2-NZ 2.67Å; D231-K235 PolarHBondContact OD2-NZ 2.83Å; D231-Y244 WeakPolarHBondContact CA-OH 3.35Å; D231-Y244 HydrophobicContact CB-CE2 3.84Å; D231-Y244 VanDerWaalsContact CB-OH 3.25Å; D231-Y244 WeakPolarHBondContact CB-OH 3.41Å; D231-Y244 PolarHBondContact N-OH 3.11Å; D231-Y244 PolarHBondContact OD1-OH 2.99Å
232H96Very high96.5Very high110 Ų11055.4 Ų55.451%0.50928%0.282SS..Hα-helixtrans-58.5-47.2178.9-179.171.6000111.9I228 I230 L236I228-H232 VanDerWaalsContact O-CB 3.29Å; I228-H232 WeakPolarHBondContact O-CB 3.01Å; I228-H232 PolarHBondContact O-N 2.61Å; I230-H232 VanDerWaalsContact C-N 3.35Å; I230-H232 PolarHBondContact O-N 3.26Å; H232-L236 WeakPolarHBondContact O-CG 3.25Å; H232-L236 PolarHBondContact O-N 3.22Å
233N96.4Very high96.5Very high4 Ų455.5 Ų55.52%0.02128%0.28CS..Hα-helixtrans-72.8-36-177.6-78.4-77.8000112.8W103 D229 I230 D231 L236 A237 I279W103-N233 HydrophobicContact CD2-CB 4.44Å; W103-N233 HydrophobicContact CE3-CB 3.55Å; W103-N233 HydrophobicContact CZ3-CB 4.02Å; W103-N233 PolarHBondContact N-OD1 3.09Å; D229-N233 WeakPolarHBondContact O-CB 3.11Å; D229-N233 PolarHBondContact O-N 2.91Å; D229-N233 VanDerWaalsContact O-N 3.17Å; D229-N233 PolarHBondContact O-ND2 2.92Å; D229-N233 PolarHBondContact OD1-ND2 2.96Å; I230-N233 PolarHBondContact O-N 2.83Å; D231-N233 PolarHBondContact O-N 3Å; N233-L236 PolarHBondContact O-N 3.38Å; N233-A237 PolarHBondContact O-N 2.68Å; N233-A237 VanDerWaalsContact O-N 3.13Å; N233-I279 HydrophobicContact CB-CD1 4.29Å
234M97.2Very high96.5Very high1 Ų157.6 Ų57.61%0.00529%0.289CS..Hα-helixtrans-70.4-37.5178.8-66.7-61.196.500111.8W103 I230 D231 L236 A237 N238 I239 I241 L272 A275W103-M234 HydrophobicContact CE3-CE 4.35Å; W103-M234 HydrophobicContact CH2-CE 3.71Å; W103-M234 HydrophobicContact CZ2-CE 4.42Å; W103-M234 HydrophobicContact CZ3-CE 3.67Å; I230-M234 HydrophobicContact CG2-CG 3.93Å; I230-M234 WeakPolarHBondContact O-CB 3.37Å; I230-M234 VanDerWaalsContact O-CG 3.25Å; I230-M234 WeakPolarHBondContact O-CG 3.26Å; I230-M234 PolarHBondContact O-N 2.92Å; D231-M234 PolarHBondContact O-N 3.38Å; M234-L236 VanDerWaalsContact C-N 3.29Å; M234-L236 PolarHBondContact O-N 3.27Å; M234-A237 CarbonylContact O-C 3.59Å; M234-A237 WeakPolarHBondContact O-CA 3.25Å; M234-A237 WeakPolarHBondContact O-CB 3.35Å; M234-A237 PolarHBondContact O-N 3.08Å; M234-N238 PolarHBondContact O-N 3.02Å; M234-N238 VanDerWaalsContact O-N 3.12Å; M234-I239 CarbonylContact C-O 3.55Å; M234-I239 VanDerWaalsContact C-O 3.23Å; M234-I239 HydrophobicContact CB-CB 4.19Å; M234-I239 HydrophobicContact CB-CG2 4.46Å; M234-I239 WeakPolarHBondContact CB-O 3.41Å; M234-I239 PolarHBondContact O-N 2.99Å; M234-I239 HydrophobicContact SD-CB 4.44Å; M234-I239 HydrophobicContact SD-CD1 4.15Å; M234-I241 HydrophobicContact CB-CD1 4.01Å; M234-I241 HydrophobicContact CG-CD1 3.8Å; M234-L272 HydrophobicContact CG-CD1 3.75Å; M234-L272 HydrophobicContact SD-CB 4.35Å; M234-L272 HydrophobicContact SD-CD1 3.68Å; M234-A275 HydrophobicContact CE-CB 3.36Å; M234-A275 HydrophobicContact SD-CB 4.13Å
235K96.4Very high96.5Very high112 Ų11254 Ų5449%0.48727%0.273SS..Hα-helixtrans-58.4-40.1169.6-76.5172.7178.3162.80112.6D231 A237 N238D231-K235 WeakPolarHBondContact O-CB 3.42Å; D231-K235 WeakPolarHBondContact O-CG 3.47Å; D231-K235 PolarHBondContact O-N 2.86Å; D231-K235 WeakPolarHBondContact OD1-CE 3.35Å; D231-K235 IonicContact OD1-NZ 3.31Å; D231-K235 PolarHBondContact OD1-NZ 2.88Å; D231-K235 VanDerWaalsContact OD2-CE 3.31Å; D231-K235 WeakPolarHBondContact OD2-CE 3.17Å; D231-K235 IonicContact OD2-NZ 2.67Å; D231-K235 PolarHBondContact OD2-NZ 2.83Å; K235-A237 PolarHBondContact O-N 3.43Å; K235-N238 PolarHBondContact O-N 3.11Å; K235-N238 VanDerWaalsContact O-N 3.09Å
236L94.5Very high96.4Very high68 Ų6848.2 Ų48.236%0.35624%0.242SC..Hα-helixtrans-67.5-24.4174.4-65.7173000112.9P100 H102 H232 N233 M234 N238P100-L236 VanDerWaalsContact CD-O 3.27Å; P100-L236 WeakPolarHBondContact CD-O 3.39Å; P100-L236 HydrophobicContact CG-CB 3.98Å; P100-L236 VanDerWaalsContact CG-O 3.31Å; P100-L236 WeakPolarHBondContact CG-O 3.44Å; H102-L236 VanDerWaalsContact CD2-CD1 3.44Å; H102-L236 WeakPolarHBondContact CD2-CD1 3.4Å; H232-L236 WeakPolarHBondContact O-CG 3.25Å; H232-L236 PolarHBondContact O-N 3.22Å; N233-L236 PolarHBondContact O-N 3.38Å; M234-L236 VanDerWaalsContact C-N 3.29Å; M234-L236 PolarHBondContact O-N 3.27Å; L236-N238 VanDerWaalsContact C-N 3.33Å
237A94.8Very high96.2Very high12 Ų1249 Ų4910%0.09925%0.246CC..THydrogen-bonded Turntrans-87.84.8172.500000113.8H99 N233 M234 K235 I239H99-A237 HydrophobicContact CB-CB 3.71Å; N233-A237 PolarHBondContact O-N 2.68Å; N233-A237 VanDerWaalsContact O-N 3.13Å; M234-A237 CarbonylContact O-C 3.59Å; M234-A237 WeakPolarHBondContact O-CA 3.25Å; M234-A237 WeakPolarHBondContact O-CB 3.35Å; M234-A237 PolarHBondContact O-N 3.08Å; K235-A237 PolarHBondContact O-N 3.43Å; A237-I239 VanDerWaalsContact C-N 3.25Å; A237-I239 HydrophobicContact CB-CD1 4.1Å; A237-I239 HydrophobicContact CB-CG1 4.32Å; A237-I239 PolarHBondContact O-N 3.23Å
238N95.6Very high95.8Very high143 Ų14352.2 Ų52.277%0.76526%0.263SS*.THydrogen-bonded Turntrans55.936.9-172.1-60.4-37.6000113.5M234 K235 L236M234-N238 PolarHBondContact O-N 3.02Å; M234-N238 VanDerWaalsContact O-N 3.12Å; K235-N238 PolarHBondContact O-N 3.11Å; K235-N238 VanDerWaalsContact O-N 3.09Å; L236-N238 VanDerWaalsContact C-N 3.33Å
239I97.6Very high95.5Very high1 Ų147.3 Ų47.31%0.00524%0.239CC..  trans-113.7115.9175-62.4169.1000107.8M234 A237 L257 N268 I271M234-I239 CarbonylContact C-O 3.55Å; M234-I239 VanDerWaalsContact C-O 3.23Å; M234-I239 HydrophobicContact CB-CB 4.19Å; M234-I239 HydrophobicContact CB-CG2 4.46Å; M234-I239 WeakPolarHBondContact CB-O 3.41Å; M234-I239 PolarHBondContact O-N 2.99Å; M234-I239 HydrophobicContact SD-CB 4.44Å; M234-I239 HydrophobicContact SD-CD1 4.15Å; A237-I239 VanDerWaalsContact C-N 3.25Å; A237-I239 HydrophobicContact CB-CD1 4.1Å; A237-I239 HydrophobicContact CB-CG1 4.32Å; A237-I239 PolarHBondContact O-N 3.23Å; I239-L257 HydrophobicContact CG2-CD2 3.88Å; I239-N268 HydrophobicContact CD1-CB 4.43Å; I239-N268 HydrophobicContact CG1-CB 4.15Å; I239-N268 HydrophobicContact CG2-CB 4Å; I239-I271 HydrophobicContact CD1-CB 3.68Å; I239-I271 HydrophobicContact CD1-CD1 4.06Å; I239-I271 HydrophobicContact CD1-CG1 4.49Å; I239-I271 HydrophobicContact CD1-CG2 3.49Å; I239-I271 VanDerWaalsContact CD1-CG2 3.49Å
240D95.9Very high95.3Very high90 Ų9048.3 Ų48.348%0.48124%0.242SC..  trans-93.6131.9178-67.1-40.2000110.8V258D240-V258 HydrophobicContact CB-CB 3.85Å; D240-V258 HydrophobicContact CB-CG2 3.67Å; D240-V258 PolarHBondContact O-N 3.12Å
241I97.4Very high95.2Very high18 Ų1848.4 Ų48.49%0.09224%0.243CC..BIsolated β-bridgetrans-111.6134.9174.6-68.7161000107.1I230 M234 D243 Y244 P256 L272I230-I241 HydrophobicContact CG2-CD1 3.82Å; M234-I241 HydrophobicContact CB-CD1 4.01Å; M234-I241 HydrophobicContact CG-CD1 3.8Å; I241-D243 VanDerWaalsContact CG2-O 3.24Å; I241-D243 WeakPolarHBondContact CG2-O 3.5Å; I241-Y244 HydrophobicContact CB-CE1 4.41Å; I241-Y244 WeakPolarHBondContact CB-OH 3.47Å; I241-Y244 HydrophobicContact CD1-CE1 4Å; I241-Y244 WeakPolarHBondContact CD1-OH 3.3Å; I241-Y244 HydrophobicContact CG2-CD1 4.24Å; I241-Y244 HydrophobicContact CG2-CE1 3.66Å; I241-Y244 HydrophobicContact CG2-CE2 3.98Å; I241-Y244 VanDerWaalsContact CG2-CZ 3.5Å; I241-P256 WeakPolarHBondContact CG2-O 3.31Å; I241-L272 HydrophobicContact CD1-CD1 3.62Å; I241-L272 HydrophobicContact CD1-CD2 4.14Å; I241-L272 HydrophobicContact CG1-CD2 4.32Å
242Q96.4Very high95.2Very high127 Ų12746.9 Ų46.959%0.59324%0.235SC*.  trans-73.1-49.2-173.3179.5177.1-35.800111.4P256 V258Q242-P256 HydrophobicContact CB-CB 4.37Å; Q242-P256 PolarHBondContact N-O 3.13Å; Q242-V258 HydrophobicContact CB-CG2 4.28Å
243D95.4Very high95.2Very high73 Ų7341.6 Ų41.639%0.3921%0.21SC..  trans-158.217617952.739.5000111I241 P256I241-D243 VanDerWaalsContact CG2-O 3.24Å; I241-D243 WeakPolarHBondContact CG2-O 3.5Å; D243-P256 WeakPolarHBondContact O-CD 3.45Å; D243-P256 WeakPolarHBondContact OD1-CD 3.01Å; D243-P256 WeakPolarHBondContact OD1-CG 3.5Å
244Y96.4Very high95.3Very high46 Ų4642.3 Ų42.318%0.1821%0.213CC..  trans-134.2133.7176.6-58.4-86000108.6F227 I230 D231 I241 S255F227-Y244 HydrophobicContact CB-CD1 3.97Å; F227-Y244 HydrophobicContact CB-CD2 4.3Å; F227-Y244 HydrophobicContact CB-CG 3.84Å; F227-Y244 AromaticContact CD1-CD1 3.3Å; F227-Y244 HydrophobicContact CD1-CD1 3.3Å; F227-Y244 HydrophobicContact CD1-CE1 4.14Å; F227-Y244 AromaticContact CD1-CG 3.79Å; F227-Y244 HydrophobicContact CD1-CG 3.79Å; F227-Y244 HydrophobicContact CD2-CG 4.43Å; F227-Y244 AromaticContact CE1-CD1 3.86Å; F227-Y244 HydrophobicContact CE1-CD1 3.86Å; F227-Y244 HydrophobicContact CE1-CG 4.37Å; F227-Y244 AromaticContact CG-CD1 3.8Å; F227-Y244 HydrophobicContact CG-CD1 3.8Å; F227-Y244 AromaticContact CG-CG 3.81Å; F227-Y244 HydrophobicContact CG-CG 3.81Å; I230-Y244 HydrophobicContact CB-CE1 4.27Å; I230-Y244 HydrophobicContact CG2-CE1 3.86Å; D231-Y244 WeakPolarHBondContact CA-OH 3.35Å; D231-Y244 HydrophobicContact CB-CE2 3.84Å; D231-Y244 VanDerWaalsContact CB-OH 3.25Å; D231-Y244 WeakPolarHBondContact CB-OH 3.41Å; D231-Y244 PolarHBondContact N-OH 3.11Å; D231-Y244 PolarHBondContact OD1-OH 2.99Å; I241-Y244 HydrophobicContact CB-CE1 4.41Å; I241-Y244 WeakPolarHBondContact CB-OH 3.47Å; I241-Y244 HydrophobicContact CD1-CE1 4Å; I241-Y244 WeakPolarHBondContact CD1-OH 3.3Å; I241-Y244 HydrophobicContact CG2-CD1 4.24Å; I241-Y244 HydrophobicContact CG2-CE1 3.66Å; I241-Y244 HydrophobicContact CG2-CE2 3.98Å; I241-Y244 VanDerWaalsContact CG2-CZ 3.5Å; Y244-S255 WeakPolarHBondContact CD1-OG 3.31Å
245S95.7Very high95.3Very high12 Ų1242.2 Ų42.28%0.08421%0.213CC..EExtended strand (participates in β ladder)trans-142.9155.2-177.161.60000111.6L253 E254S245-L253 VanDerWaalsContact O-CA 3.28Å; S245-L253 WeakPolarHBondContact O-CA 3.41Å; S245-E254 PolarHBondContact N-O 3.41Å; S245-E254 PolarHBondContact O-N 2.88Å; S245-E254 WeakPolarHBondContact OG-CB 3.43Å
246N94.3Very high95.4Very high2 Ų237.4 Ų37.41%0.01119%0.193CC..EExtended strand (participates in β ladder)trans-89.8138157.272.5-86.9000109D213 Y215 R216 L219 L220 Q252 L253D213-N246 PolarHBondContact O-ND2 3.21Å; Y215-N246 PolarHBondContact N-ND2 2.57Å; Y215-N246 PolarHBondContact N-O 3.13Å; Y215-N246 VanDerWaalsContact N-O 3.16Å; R216-N246 PolarHBondContact O-OD1 2.71Å; L219-N246 HydrophobicContact CD2-CB 4.38Å; L219-N246 WeakPolarHBondContact CD2-ND2 3.32Å; L219-N246 HydrophobicContact CG-CB 4.24Å; L220-N246 PolarHBondContact N-OD1 3Å; N246-Q252 WeakPolarHBondContact CA-O 3.4Å; N246-L253 HydrophobicContact CB-CD2 4.15Å
247E92.7Very high95.5Very high17 Ų1734.4 Ų34.48%0.07918%0.177CC..  trans-101.3-173.5-174.5-88.9-58.9138.500112.2I214 Y215 G249 Q252 E254I214-E247 VanDerWaalsContact CD1-OE2 3.31Å; I214-E247 WeakPolarHBondContact CD1-OE2 3.34Å; Y215-E247 WeakPolarHBondContact CE1-OE1 3.33Å; Y215-E247 PolarHBondContact OH-OE1 3.02Å; E247-G249 VanDerWaalsContact C-N 3.34Å; E247-G249 PolarHBondContact O-N 3.22Å; E247-Q252 HydrophobicContact CB-CB 3.94Å; E247-Q252 HydrophobicContact CB-CG 3.65Å; E247-Q252 PolarHBondContact N-O 3.05Å; E247-E254 HydrophobicContact CG-CB 3.88Å; E247-E254 VanDerWaalsContact OE1-OE2 3.13Å
248D89.4Confident95.7Very high76 Ų7636.6 Ų36.641%0.40619%0.189SC..SBendtrans-57.7-37.7-174.4-176.763000114.2C212 S298C212-D248 WeakPolarHBondContact CA-O 3.36Å; C212-D248 WeakPolarHBondContact CB-O 3.35Å; D248-S298 WeakPolarHBondContact OD2-CB 3.47Å
249G90.9Very high95.8Very high3 Ų332.3 Ų32.33%0.03117%0.169CC..SBendtrans-94.6160.2-172.400000115.4E247 G251 Q252 S298E247-G249 VanDerWaalsContact C-N 3.34Å; E247-G249 PolarHBondContact O-N 3.22Å; G249-G251 PolarHBondContact O-N 3.04Å; G249-Q252 WeakPolarHBondContact O-CB 3.36Å; G249-Q252 PolarHBondContact O-N 2.83Å; G249-S298 WeakPolarHBondContact CA-OG 3.39Å; G249-S298 PolarHBondContact N-OG 3.42Å; G249-S298 VanDerWaalsContact N-OG 3.16Å
250E93.9Very high95.8Very high63 Ų6333.1 Ų33.129%0.29418%0.175SC..THydrogen-bonded Turntrans-51.9125.7173.4-59.2-177.3157.100112.2R177 P207 T209 K210 C212 Q252R177-E250 PolarHBondContact NH1-O 3.41Å; P207-E250 HydrophobicContact CB-CB 3.8Å; P207-E250 HydrophobicContact CG-CB 3.84Å; T209-E250 CarbonylContact O-C 3.54Å; K210-E250 VanDerWaalsContact O-OE1 3.12Å; C212-E250 VanDerWaalsContact SG-CG 3.56Å; E250-Q252 PolarHBondContact O-N 3.47Å; E250-Q252 VanDerWaalsContact O-N 3.1Å
251G95.2Very high95.9Very high1 Ų133.5 Ų33.51%0.0117%0.17CC..THydrogen-bonded Turntrans62.38.3-177.300000115.4R177 A178 T209 G249R177-G251 CarbonylContact C-O 3.32Å; R177-G251 VanDerWaalsContact CA-O 3.26Å; R177-G251 WeakPolarHBondContact CA-O 3.37Å; A178-G251 PolarHBondContact N-O 3.41Å; T209-G251 PolarHBondContact O-N 3.3Å; G249-G251 PolarHBondContact O-N 3.04Å
252Q96.4Very high95.9Very high5 Ų533.3 Ų33.32%0.02317%0.172CC..EExtended strand (participates in β ladder)trans-81.2135.6-178-163.3-176.68.200111.1E175 F176 R177 N246 E247 G249 E250 S298 S299E175-Q252 PolarHBondContact OE2-NE2 3.43Å; F176-Q252 CarbonylContact O-C 3.59Å; F176-Q252 WeakPolarHBondContact O-CA 3.22Å; R177-Q252 HydrophobicContact CG-CB 4.16Å; R177-Q252 HydrophobicContact CG-CG 4.29Å; N246-Q252 WeakPolarHBondContact CA-O 3.4Å; E247-Q252 HydrophobicContact CB-CB 3.94Å; E247-Q252 HydrophobicContact CB-CG 3.65Å; E247-Q252 PolarHBondContact N-O 3.05Å; G249-Q252 WeakPolarHBondContact O-CB 3.36Å; G249-Q252 PolarHBondContact O-N 2.83Å; E250-Q252 PolarHBondContact O-N 3.47Å; E250-Q252 VanDerWaalsContact O-N 3.1Å; Q252-S298 PolarHBondContact OE1-OG 3.01Å; Q252-S299 PolarHBondContact NE2-O 2.84Å; Q252-S299 VanDerWaalsContact NE2-O 3.11Å
253L97.1Very high96Very high0 Ų028.2 Ų28.20%015%0.149CC..EExtended strand (participates in β ladder)trans-134.9155.8-176.4-55.2174.8000109.2E175 F176 A178 Y223 F226 F227 S245 N246E175-L253 CarbonylContact C-O 3.49Å; E175-L253 VanDerWaalsContact CA-O 3.27Å; E175-L253 WeakPolarHBondContact CA-O 3.33Å; F176-L253 HydrophobicContact CD2-CB 4.08Å; F176-L253 HydrophobicContact CD2-CD1 4.33Å; F176-L253 HydrophobicContact CE1-CB 4.24Å; F176-L253 HydrophobicContact CE2-CB 3.67Å; F176-L253 HydrophobicContact CE2-CD1 3.64Å; F176-L253 HydrophobicContact CE2-CG 4.24Å; F176-L253 HydrophobicContact CZ-CB 3.75Å; F176-L253 HydrophobicContact CZ-CD1 4.26Å; F176-L253 PolarHBondContact N-O 2.8Å; F176-L253 PolarHBondContact O-N 3.01Å; A178-L253 HydrophobicContact CB-CD1 4.1Å; Y223-L253 HydrophobicContact CD1-CD1 3.75Å; Y223-L253 HydrophobicContact CD1-CD2 3.97Å; Y223-L253 HydrophobicContact CD1-CG 4.5Å; Y223-L253 HydrophobicContact CD2-CD2 3.58Å; Y223-L253 HydrophobicContact CE1-CD1 3.85Å; Y223-L253 HydrophobicContact CE1-CD2 4.04Å; Y223-L253 HydrophobicContact CE1-CG 4.42Å; Y223-L253 HydrophobicContact CE2-CD2 3.66Å; Y223-L253 HydrophobicContact CG-CD1 4.25Å; Y223-L253 HydrophobicContact CG-CD2 3.73Å; F226-L253 HydrophobicContact CD1-CD1 4.34Å; F226-L253 HydrophobicContact CE1-CD1 3.96Å; F227-L253 HydrophobicContact CE1-CB 4.32Å; F227-L253 HydrophobicContact CE1-CD1 4.23Å; F227-L253 HydrophobicContact CE2-CD2 4.28Å; F227-L253 HydrophobicContact CZ-CB 3.96Å; F227-L253 HydrophobicContact CZ-CD1 4.01Å; F227-L253 HydrophobicContact CZ-CD2 3.75Å; F227-L253 HydrophobicContact CZ-CG 4.09Å; S245-L253 VanDerWaalsContact O-CA 3.28Å; S245-L253 WeakPolarHBondContact O-CA 3.41Å; N246-L253 HydrophobicContact CB-CD2 4.15Å
254E97.5Very high96.2Very high18 Ų1827.1 Ų27.18%0.08415%0.147CC..EExtended strand (participates in β ladder)trans-132.1149.1173.3-162.5-177158.100110.5E173 E175 S245 E247 P256E173-E254 WeakPolarHBondContact CB-OE1 3.01Å; E175-E254 HydrophobicContact CG-CB 4.28Å; E175-E254 HydrophobicContact CG-CG 3.92Å; S245-E254 PolarHBondContact N-O 3.41Å; S245-E254 PolarHBondContact O-N 2.88Å; S245-E254 WeakPolarHBondContact OG-CB 3.43Å; E247-E254 HydrophobicContact CG-CB 3.88Å; E247-E254 VanDerWaalsContact OE1-OE2 3.13Å; E254-P256 HydrophobicContact CG-CG 4.04Å; E254-P256 WeakPolarHBondContact OE1-CG 3.23Å
255S97.8Very high96.3Very high0 Ų025.1 Ų25.10%014%0.14CC..  trans-145.177.1175.2-56.30000110.7P174 F176 Y244 L257P174-S255 WeakPolarHBondContact CD-O 3.46Å; P174-S255 WeakPolarHBondContact CG-O 3.46Å; P174-S255 PolarHBondContact O-N 3.11Å; F176-S255 WeakPolarHBondContact CE1-OG 3.26Å; Y244-S255 WeakPolarHBondContact CD1-OG 3.31Å; S255-L257 PolarHBondContact O-N 3.35Å
256P98Very high96.4Very high10 Ų1024.5 Ų24.57%0.06514%0.136CC..PPolyproline II helixtrans-60.2131.2-178.8-23.836.5000112.4E173 I241 Q242 D243 E254E173-P256 HydrophobicContact CG-CB 4.15Å; E173-P256 HydrophobicContact CG-CG 4.47Å; I241-P256 WeakPolarHBondContact CG2-O 3.31Å; Q242-P256 HydrophobicContact CB-CB 4.37Å; Q242-P256 PolarHBondContact N-O 3.13Å; D243-P256 WeakPolarHBondContact O-CD 3.45Å; D243-P256 WeakPolarHBondContact OD1-CD 3.01Å; D243-P256 WeakPolarHBondContact OD1-CG 3.5Å; E254-P256 HydrophobicContact CG-CG 4.04Å; E254-P256 WeakPolarHBondContact OE1-CG 3.23Å
257L98.3Very high96.6Very high6 Ų624.7 Ų24.73%0.03114%0.137CC..BIsolated β-bridgetrans-81.2149.7176.3-66.9103.8000111.4A171 F172 P174 I239 S255 N268 Y269 L272A171-L257 WeakPolarHBondContact CB-O 3.21Å; F172-L257 HydrophobicContact CB-CD1 3.98Å; F172-L257 WeakPolarHBondContact O-CD1 2.99Å; F172-L257 PolarHBondContact O-N 3.25Å; P174-L257 HydrophobicContact CG-CD1 3.98Å; I239-L257 HydrophobicContact CG2-CD2 3.88Å; S255-L257 PolarHBondContact O-N 3.35Å; L257-N268 HydrophobicContact CD2-CB 3.62Å; L257-Y269 HydrophobicContact CD1-CD2 4.12Å; L257-Y269 HydrophobicContact CD1-CG 4.23Å; L257-L272 HydrophobicContact CD1-CD2 3.79Å; L257-L272 HydrophobicContact CD2-CD2 4.05Å; L257-L272 HydrophobicContact CG-CD2 3.86Å
258V97.9Very high96.9Very high58 Ų5825.3 Ų25.335%0.35214%0.141SC..PPolyproline II helixtrans-69.4138.6166.5178.10000109.4D240 Q242D240-V258 HydrophobicContact CB-CB 3.85Å; D240-V258 HydrophobicContact CB-CG2 3.67Å; D240-V258 PolarHBondContact O-N 3.12Å; Q242-V258 HydrophobicContact CB-CG2 4.28Å
259P97.8Very high97.3Very high53 Ų5321.7 Ų21.734%0.34412%0.121SC..PPolyproline II helixtrans-61.8144.3-179.1-18.927.3000114.1F169 S170 A171F169-P259 HydrophobicContact CD1-CB 3.99Å; F169-P259 HydrophobicContact CD2-CB 4.42Å; F169-P259 HydrophobicContact CE1-CB 3.55Å; F169-P259 HydrophobicContact CE1-CG 4.24Å; F169-P259 HydrophobicContact CE2-CB 4.02Å; F169-P259 WeakPolarHBondContact CE2-O 3.43Å; F169-P259 HydrophobicContact CG-CB 4.41Å; F169-P259 HydrophobicContact CZ-CB 3.58Å; F169-P259 HydrophobicContact CZ-CG 4.48Å; F169-P259 WeakPolarHBondContact CZ-O 3.01Å; S170-P259 CarbonylContact O-C 3.48Å; S170-P259 VanDerWaalsContact O-CA 3.24Å; S170-P259 WeakPolarHBondContact O-CA 3.45Å; A171-P259 HydrophobicContact CB-CB 4Å; A171-P259 HydrophobicContact CB-CG 3.81Å
260S97.9Very high97.6Very high18 Ų1821.6 Ų21.613%0.12612%0.12CC..EExtended strand (participates in β ladder)trans-138.7167.6177.461.40000112.1S170 A265S170-S260 PolarHBondContact N-O 2.85Å; S170-S260 PolarHBondContact O-N 3.39Å; S260-A265 WeakPolarHBondContact OG-CA 3.38Å; S260-A265 WeakPolarHBondContact OG-CB 3.14Å; S260-A265 PolarHBondContact OG-N 3.14Å
261W97.9Very high97.8Very high97 Ų9719.1 Ų19.137%0.36711%0.109SC..EExtended strand (participates in β ladder)trans-85137.2-172.5-67100.8000112.6R167 L168 F169 L263 S264 W309R167-W261 HydrophobicContact CB-CE3 3.95Å; R167-W261 HydrophobicContact CB-CZ3 3.81Å; L168-W261 CarbonylContact O-C 3.43Å; L168-W261 WeakPolarHBondContact O-CA 3.29Å; F169-W261 HydrophobicContact CB-CD2 4.36Å; F169-W261 HydrophobicContact CB-CE3 3.86Å; F169-W261 HydrophobicContact CB-CH2 3.97Å; F169-W261 HydrophobicContact CB-CZ2 4.47Å; F169-W261 HydrophobicContact CB-CZ3 3.65Å; F169-W261 AromaticContact CD2-CD2 3.59Å; F169-W261 HydrophobicContact CD2-CD2 3.59Å; F169-W261 AromaticContact CD2-CE2 3.54Å; F169-W261 AromaticContact CD2-CE3 3.98Å; F169-W261 HydrophobicContact CD2-CE3 3.98Å; F169-W261 AromaticContact CD2-CG 3.97Å; F169-W261 HydrophobicContact CD2-CG 3.97Å; F169-W261 HydrophobicContact CD2-CH2 4.26Å; F169-W261 AromaticContact CD2-CZ2 3.9Å; F169-W261 HydrophobicContact CD2-CZ2 3.9Å; F169-W261 HydrophobicContact CD2-CZ3 4.3Å; F169-W261 AromaticContact CD2-NE1 3.86Å; F169-W261 HydrophobicContact CE2-CD2 4.3Å; F169-W261 AromaticContact CE2-CE2 3.92Å; F169-W261 HydrophobicContact CE2-CG 4.44Å; F169-W261 HydrophobicContact CE2-CZ2 4.33Å; F169-W261 AromaticContact CE2-NE1 3.8Å; F169-W261 HydrophobicContact CG-CD2 4.35Å; F169-W261 HydrophobicContact CG-CE3 4.32Å; F169-W261 HydrophobicContact CG-CH2 4.19Å; F169-W261 HydrophobicContact CG-CZ2 4.21Å; F169-W261 HydrophobicContact CG-CZ3 4.25Å; W261-L263 PolarHBondContact O-N 2.87Å; W261-S264 WeakPolarHBondContact O-CB 3.22Å; W261-S264 PolarHBondContact O-N 2.85Å; W261-W309 HydrophobicContact CH2-CB 3.81Å; W261-W309 AromaticContact CH2-CD1 3.73Å; W261-W309 HydrophobicContact CH2-CD2 4.04Å; W261-W309 AromaticContact CH2-CG 3.57Å; W261-W309 HydrophobicContact CH2-CG 3.57Å; W261-W309 HydrophobicContact CZ3-CB 3.87Å; W261-W309 AromaticContact CZ3-CD1 3.79Å; W261-W309 AromaticContact CZ3-CG 3.87Å; W261-W309 HydrophobicContact CZ3-CG 3.87Å
262G97.9Very high97.9Very high14 Ų1419.1 Ų19.114%0.14411%0.108CC..THydrogen-bonded Turntrans57-129.2170.200000112.9L168 S264L168-G262 PolarHBondContact O-N 3.45Å; G262-S264 VanDerWaalsContact C-N 3.28Å; G262-S264 PolarHBondContact O-N 2.97Å
263L98.2Very high98Very high20 Ų2019 Ų1911%0.10511%0.108CC..THydrogen-bonded Turntrans-68.4-26.5-176-172.862.6000113.2V153 K154 I157 W261 A265 A266 D267 Y403V153-L263 HydrophobicContact CG1-CD1 3.39Å; K154-L263 HydrophobicContact CD-CD2 4.09Å; K154-L263 HydrophobicContact CG-CD2 3.84Å; I157-L263 HydrophobicContact CD1-CB 3.97Å; I157-L263 HydrophobicContact CD1-CD1 4.46Å; W261-L263 PolarHBondContact O-N 2.87Å; L263-A265 PolarHBondContact O-N 3.48Å; L263-A265 VanDerWaalsContact O-N 3.09Å; L263-A266 HydrophobicContact CD1-CB 4.44Å; L263-A266 PolarHBondContact O-N 2.96Å; L263-D267 PolarHBondContact O-N 3.38Å; L263-D267 VanDerWaalsContact O-N 3.09Å; L263-Y403 HydrophobicContact CD1-CD1 3.77Å; L263-Y403 HydrophobicContact CD1-CE1 3.82Å; L263-Y403 HydrophobicContact CG-CE1 4.44Å
264S98.4Very high98Very high51 Ų5121.5 Ų21.536%0.35712%0.12SC..Hα-helixtrans-58.1-29.2-173.8-60.50000112.8W261 G262 A266 D267 N268W261-S264 WeakPolarHBondContact O-CB 3.22Å; W261-S264 PolarHBondContact O-N 2.85Å; G262-S264 VanDerWaalsContact C-N 3.28Å; G262-S264 PolarHBondContact O-N 2.97Å; S264-A266 VanDerWaalsContact C-N 3.32Å; S264-A266 PolarHBondContact O-N 3.32Å; S264-D267 PolarHBondContact O-N 3.34Å; S264-N268 WeakPolarHBondContact O-CB 3.37Å; S264-N268 PolarHBondContact O-N 3.25Å; S264-N268 PolarHBondContact O-OD1 3.15Å
265A98.4Very high98Very high3 Ų320.7 Ų20.73%0.02512%0.116CC..Hα-helixtrans-62.1-41.9176.500000112S170 F172 S260 L263 Y269S170-A265 VanDerWaalsContact O-CB 3.24Å; S170-A265 WeakPolarHBondContact O-CB 3.32Å; S170-A265 VanDerWaalsContact OG-CB 3.25Å; S170-A265 WeakPolarHBondContact OG-CB 3.37Å; F172-A265 HydrophobicContact CE2-CB 4.44Å; S260-A265 WeakPolarHBondContact OG-CA 3.38Å; S260-A265 WeakPolarHBondContact OG-CB 3.14Å; S260-A265 PolarHBondContact OG-N 3.14Å; L263-A265 PolarHBondContact O-N 3.48Å; L263-A265 VanDerWaalsContact O-N 3.09Å; A265-Y269 PolarHBondContact O-N 2.82Å
266A98.6Very high98Very high0 Ų020.7 Ų20.70%012%0.116CC..Hα-helixtrans-72.8-37175.400000112.3F172 L263 S264 Y269 F270 P402 Y403 L406F172-A266 HydrophobicContact CE2-CB 4.49Å; L263-A266 HydrophobicContact CD1-CB 4.44Å; L263-A266 PolarHBondContact O-N 2.96Å; S264-A266 VanDerWaalsContact C-N 3.32Å; S264-A266 PolarHBondContact O-N 3.32Å; A266-Y269 PolarHBondContact O-N 3.15Å; A266-F270 VanDerWaalsContact O-CB 3.27Å; A266-F270 WeakPolarHBondContact O-CB 3.29Å; A266-F270 PolarHBondContact O-N 3.01Å; A266-P402 HydrophobicContact CB-CB 3.77Å; A266-Y403 HydrophobicContact CB-CD1 3.52Å; A266-Y403 HydrophobicContact CB-CE1 3.55Å; A266-Y403 HydrophobicContact CB-CG 4.35Å; A266-L406 HydrophobicContact CB-CD1 4.09Å; A266-L406 HydrophobicContact CB-CD2 3.7Å; A266-L406 HydrophobicContact CB-CG 4.48Å
267D98.6Very high97.9Very high5 Ų521.4 Ų21.43%0.02712%0.118CC..Hα-helixtrans-62-46.5176.3-72.1-8000111.7T97 L134 R150 L263 S264 F270 I271 Y403T97-D267 VanDerWaalsContact CG2-OD2 3.29Å; T97-D267 WeakPolarHBondContact CG2-OD2 3.35Å; L134-D267 HydrophobicContact CD1-CB 3.73Å; R150-D267 IonicContact CZ-OD1 2.79Å; R150-D267 IonicContact CZ-OD2 3.93Å; R150-D267 IonicContact NH1-OD1 2.91Å; R150-D267 PolarHBondContact NH1-OD1 3.15Å; R150-D267 IonicContact NH1-OD2 2.65Å; R150-D267 PolarHBondContact NH1-OD2 3.16Å; R150-D267 IonicContact NH2-OD1 3.96Å; R150-D267 IonicContact NH2-OD2 3.11Å; R150-D267 PolarHBondContact NH2-OD2 2.97Å; L263-D267 PolarHBondContact O-N 3.38Å; L263-D267 VanDerWaalsContact O-N 3.09Å; S264-D267 PolarHBondContact O-N 3.34Å; D267-F270 PolarHBondContact O-N 3.33Å; D267-I271 VanDerWaalsContact O-CG1 3.29Å; D267-I271 WeakPolarHBondContact O-CG1 3.14Å; D267-I271 PolarHBondContact O-N 2.85Å; D267-Y403 WeakPolarHBondContact OD1-CE1 3.28Å; D267-Y403 VanDerWaalsContact OD1-CZ 3.29Å; D267-Y403 PolarHBondContact OD1-OH 2.8Å
268N98.2Very high97.8Very high30 Ų3022.4 Ų22.416%0.1612%0.122CC..Hα-helixtrans-60.9-47.7178.5-691.1000111I239 L257 S264 I271 L272I239-N268 HydrophobicContact CD1-CB 4.43Å; I239-N268 HydrophobicContact CG1-CB 4.15Å; I239-N268 HydrophobicContact CG2-CB 4Å; L257-N268 HydrophobicContact CD2-CB 3.62Å; S264-N268 WeakPolarHBondContact O-CB 3.37Å; S264-N268 PolarHBondContact O-N 3.25Å; S264-N268 PolarHBondContact O-OD1 3.15Å; N268-I271 PolarHBondContact O-N 3.02Å; N268-L272 VanDerWaalsContact O-CB 3.25Å; N268-L272 WeakPolarHBondContact O-CB 3.29Å; N268-L272 PolarHBondContact O-N 2.87Å
269Y98.3Very high97.8Very high1 Ų119.6 Ų19.60%0.00411%0.105CC..Hα-helixtrans-66.5-40.4178.2179.3-150000112F172 P174 L257 A265 A266 L272 K273 F289 C302 S398 P402F172-Y269 HydrophobicContact CB-CD1 3.86Å; F172-Y269 HydrophobicContact CB-CG 4.07Å; F172-Y269 AromaticContact CD1-CD1 3.67Å; F172-Y269 HydrophobicContact CD1-CD1 3.67Å; F172-Y269 HydrophobicContact CD1-CE1 4.13Å; F172-Y269 AromaticContact CD2-CD1 3.99Å; F172-Y269 HydrophobicContact CD2-CD1 3.99Å; F172-Y269 HydrophobicContact CD2-CG 4.26Å; F172-Y269 HydrophobicContact CE1-CD1 4.1Å; F172-Y269 HydrophobicContact CE2-CD1 4.41Å; F172-Y269 AromaticContact CG-CD1 3.57Å; F172-Y269 HydrophobicContact CG-CD1 3.57Å; F172-Y269 HydrophobicContact CG-CE1 4.38Å; F172-Y269 HydrophobicContact CG-CG 4.08Å; F172-Y269 HydrophobicContact CZ-CD1 4.44Å; P174-Y269 HydrophobicContact CB-CD2 4.05Å; P174-Y269 HydrophobicContact CB-CE2 3.31Å; P174-Y269 HydrophobicContact CG-CD2 4Å; P174-Y269 HydrophobicContact CG-CE2 3.74Å; L257-Y269 HydrophobicContact CD1-CD2 4.12Å; L257-Y269 HydrophobicContact CD1-CG 4.23Å; A265-Y269 PolarHBondContact O-N 2.82Å; A266-Y269 PolarHBondContact O-N 3.15Å; Y269-L272 PolarHBondContact O-N 2.84Å; Y269-K273 HydrophobicContact CD2-CB 4.31Å; Y269-K273 HydrophobicContact CE2-CB 3.97Å; Y269-K273 HydrophobicContact CE2-CD 4.17Å; Y269-K273 HydrophobicContact CE2-CG 4.4Å; Y269-K273 VanDerWaalsContact O-CB 3.25Å; Y269-K273 WeakPolarHBondContact O-CB 3.32Å; Y269-K273 PolarHBondContact O-N 3.23Å; Y269-F289 HydrophobicContact CE2-CE1 4.3Å; Y269-C302 VanDerWaalsContact CE1-SG 3.56Å; Y269-S398 PolarHBondContact OH-O 3.19Å; Y269-P402 HydrophobicContact CD1-CB 3.73Å; Y269-P402 HydrophobicContact CD1-CG 4.03Å; Y269-P402 HydrophobicContact CE1-CB 4.49Å; Y269-P402 HydrophobicContact CG-CB 4.41Å; Y269-P402 HydrophobicContact CG-CG 4.5Å
270F98.2Very high97.7Very high1 Ų117.1 Ų17.10%0.0049%0.089CC..Hα-helixtrans-57.4-54.7176.1-169.5-112000110.2P36 H42 L134 A266 D267 L272 K273 Q274 P402 Y403P36-F270 HydrophobicContact CB-CE2 3.72Å; P36-F270 HydrophobicContact CB-CZ 3.73Å; P36-F270 HydrophobicContact CG-CZ 4.48Å; H42-F270 HydrophobicContact CB-CZ 4.3Å; H42-F270 AromaticContact CD2-CD1 3.59Å; H42-F270 AromaticContact CD2-CD2 4Å; H42-F270 AromaticContact CD2-CE1 3.14Å; H42-F270 WeakPolarHBondContact CD2-CE1 3.35Å; H42-F270 AromaticContact CD2-CE2 3.58Å; H42-F270 AromaticContact CD2-CG 4Å; H42-F270 AromaticContact CD2-CZ 3.14Å; H42-F270 WeakPolarHBondContact CD2-CZ 3.06Å; H42-F270 AromaticContact CE1-CD2 3.51Å; H42-F270 AromaticContact CE1-CE2 3.53Å; H42-F270 AromaticContact CE1-CG 3.87Å; H42-F270 AromaticContact CE1-CZ 3.95Å; H42-F270 PolarHBondContact CE1-O 3.5Å; H42-F270 AromaticContact CG-CE2 3.89Å; H42-F270 AromaticContact CG-CZ 3.64Å; H42-F270 AromaticContact ND1-CE2 3.87Å; H42-F270 VanDerWaalsContact NE2-C 3.33Å; H42-F270 AromaticContact NE2-CD1 3.22Å; H42-F270 WeakPolarHBondContact NE2-CD1 3.27Å; H42-F270 AromaticContact NE2-CD2 3.29Å; H42-F270 VanDerWaalsContact NE2-CD2 3.29Å; H42-F270 WeakPolarHBondContact NE2-CD2 3.46Å; H42-F270 AromaticContact NE2-CE1 3.31Å; H42-F270 VanDerWaalsContact NE2-CE1 3.31Å; H42-F270 WeakPolarHBondContact NE2-CE1 3.24Å; H42-F270 AromaticContact NE2-CE2 3.35Å; H42-F270 WeakPolarHBondContact NE2-CE2 3.25Å; H42-F270 AromaticContact NE2-CG 3.22Å; H42-F270 WeakPolarHBondContact NE2-CG 3.22Å; H42-F270 AromaticContact NE2-CZ 3.37Å; H42-F270 WeakPolarHBondContact NE2-CZ 3.42Å; H42-F270 PolarHBondContact NE2-O 3.15Å; L134-F270 HydrophobicContact CD1-CD1 4.44Å; L134-F270 HydrophobicContact CD2-CD1 3.77Å; L134-F270 HydrophobicContact CD2-CE1 3.96Å; A266-F270 VanDerWaalsContact O-CB 3.27Å; A266-F270 WeakPolarHBondContact O-CB 3.29Å; A266-F270 PolarHBondContact O-N 3.01Å; D267-F270 PolarHBondContact O-N 3.33Å; F270-L272 PolarHBondContact O-N 3.27Å; F270-K273 PolarHBondContact O-N 2.97Å; F270-Q274 PolarHBondContact O-N 3Å; F270-P402 HydrophobicContact CB-CG 3.94Å; F270-P402 HydrophobicContact CD2-CG 4.31Å; F270-Y403 HydrophobicContact CB-CE2 4.03Å; F270-Y403 HydrophobicContact CD1-CE2 4.15Å; F270-Y403 AromaticContact CD2-CE2 3.85Å; F270-Y403 HydrophobicContact CD2-CE2 3.85Å; F270-Y403 HydrophobicContact CE2-CE2 4.33Å; F270-Y403 AromaticContact CG-CE2 3.76Å; F270-Y403 HydrophobicContact CG-CE2 3.76Å
271I98Very high97.6Very high11 Ų1122.1 Ų22.16%0.05611%0.109CC..Hα-helixtrans-55.8-48.4177.1-66.3163.6000111.5L134 I239 D267 N268 K273 Q274 A275L134-I271 HydrophobicContact CD1-CD1 3.96Å; L134-I271 HydrophobicContact CD1-CG1 4.07Å; L134-I271 HydrophobicContact CD2-CG1 4.27Å; L134-I271 HydrophobicContact CG-CD1 4.38Å; L134-I271 HydrophobicContact CG-CG1 4.41Å; I239-I271 HydrophobicContact CD1-CB 3.68Å; I239-I271 HydrophobicContact CD1-CD1 4.06Å; I239-I271 HydrophobicContact CD1-CG1 4.49Å; I239-I271 HydrophobicContact CD1-CG2 3.49Å; I239-I271 VanDerWaalsContact CD1-CG2 3.49Å; D267-I271 VanDerWaalsContact O-CG1 3.29Å; D267-I271 WeakPolarHBondContact O-CG1 3.14Å; D267-I271 PolarHBondContact O-N 2.85Å; N268-I271 PolarHBondContact O-N 3.02Å; I271-K273 VanDerWaalsContact C-N 3.34Å; I271-K273 PolarHBondContact O-N 3.25Å; I271-Q274 PolarHBondContact O-N 3.44Å; I271-A275 WeakPolarHBondContact O-CB 3.35Å; I271-A275 PolarHBondContact O-N 3.13Å
272L97.8Very high97.4Very high0 Ų022.7 Ų22.70%011%0.114CC..Hα-helixtrans-56.7-47.6179.7177.560.7000111.8P174 I230 M234 I241 L257 N268 Y269 F270 Q274 A275 I276P174-L272 HydrophobicContact CG-CD2 4.39Å; I230-L272 HydrophobicContact CG2-CD1 3.99Å; M234-L272 HydrophobicContact CG-CD1 3.75Å; M234-L272 HydrophobicContact SD-CB 4.35Å; M234-L272 HydrophobicContact SD-CD1 3.68Å; I241-L272 HydrophobicContact CD1-CD1 3.62Å; I241-L272 HydrophobicContact CD1-CD2 4.14Å; I241-L272 HydrophobicContact CG1-CD2 4.32Å; L257-L272 HydrophobicContact CD1-CD2 3.79Å; L257-L272 HydrophobicContact CD2-CD2 4.05Å; L257-L272 HydrophobicContact CG-CD2 3.86Å; N268-L272 VanDerWaalsContact O-CB 3.25Å; N268-L272 WeakPolarHBondContact O-CB 3.29Å; N268-L272 PolarHBondContact O-N 2.87Å; Y269-L272 PolarHBondContact O-N 2.84Å; F270-L272 PolarHBondContact O-N 3.27Å; L272-Q274 VanDerWaalsContact C-N 3.29Å; L272-Q274 PolarHBondContact O-N 3.07Å; L272-A275 PolarHBondContact O-N 2.77Å; L272-A275 VanDerWaalsContact O-N 3.11Å; L272-I276 HydrophobicContact CD1-CD1 3.66Å; L272-I276 HydrophobicContact CD1-CG1 3.74Å; L272-I276 HydrophobicContact CD2-CD1 4.19Å; L272-I276 HydrophobicContact CG-CD1 3.63Å; L272-I276 HydrophobicContact CG-CG1 4.13Å; L272-I276 WeakPolarHBondContact O-CB 3.31Å; L272-I276 WeakPolarHBondContact O-CG1 3.22Å; L272-I276 PolarHBondContact O-N 2.98Å
273K97.5Very high97.3Very high4 Ų424.1 Ų24.12%0.01712%0.117CC..Hα-helixtrans-58.9-39.9-177.2-175.5171.7-178.5175.60112.2Y269 F270 I271 F289 S398 S400 T507Y269-K273 HydrophobicContact CD2-CB 4.31Å; Y269-K273 HydrophobicContact CE2-CB 3.97Å; Y269-K273 HydrophobicContact CE2-CD 4.17Å; Y269-K273 HydrophobicContact CE2-CG 4.4Å; Y269-K273 VanDerWaalsContact O-CB 3.25Å; Y269-K273 WeakPolarHBondContact O-CB 3.32Å; Y269-K273 PolarHBondContact O-N 3.23Å; F270-K273 PolarHBondContact O-N 2.97Å; I271-K273 VanDerWaalsContact C-N 3.34Å; I271-K273 PolarHBondContact O-N 3.25Å; K273-F289 HydrophobicContact CB-CZ 4.28Å; K273-F289 HydrophobicContact CD-CD1 4.4Å; K273-F289 HydrophobicContact CD-CG 4.4Å; K273-F289 HydrophobicContact CG-CD1 4.18Å; K273-F289 HydrophobicContact CG-CD2 3.9Å; K273-F289 HydrophobicContact CG-CE1 4.04Å; K273-F289 HydrophobicContact CG-CE2 3.75Å; K273-F289 HydrophobicContact CG-CG 4.13Å; K273-F289 HydrophobicContact CG-CZ 3.83Å; K273-S398 PolarHBondContact NZ-O 2.93Å; K273-S400 PolarHBondContact NZ-O 3.27Å; K273-T507 WeakPolarHBondContact CE-OXT 3.38Å; K273-T507 PolarHBondContact NZ-OXT 3.37Å
274Q96.4Very high97.1Very high52 Ų5227.8 Ų27.824%0.24314%0.136CC..Hα-helixtrans-71.7-44.3173.5-177.66022.600112.1F270 I271 L272 I276 K277 E278F270-Q274 PolarHBondContact O-N 3Å; I271-Q274 PolarHBondContact O-N 3.44Å; L272-Q274 VanDerWaalsContact C-N 3.29Å; L272-Q274 PolarHBondContact O-N 3.07Å; Q274-I276 PolarHBondContact O-N 3Å; Q274-K277 PolarHBondContact O-N 3.3Å; Q274-E278 HydrophobicContact CG-CG 4.5Å; Q274-E278 VanDerWaalsContact NE2-CD 3.32Å; Q274-E278 PolarHBondContact NE2-OE1 3.23Å; Q274-E278 WeakPolarHBondContact O-CG 3.46Å; Q274-E278 PolarHBondContact O-N 3.33Å; Q274-E278 VanDerWaalsContact O-N 3.09Å
275A97.3Very high97.1Very high0 Ų025.5 Ų25.50%012%0.12CC..Hα-helixtrans-60-45.6-178.600000111.7W103 M234 I271 L272 K277 E278 I279W103-A275 HydrophobicContact CD2-CB 4.49Å; W103-A275 HydrophobicContact CH2-CB 4.17Å; W103-A275 HydrophobicContact CZ2-CB 3.71Å; M234-A275 HydrophobicContact CE-CB 3.36Å; M234-A275 HydrophobicContact SD-CB 4.13Å; I271-A275 WeakPolarHBondContact O-CB 3.35Å; I271-A275 PolarHBondContact O-N 3.13Å; L272-A275 PolarHBondContact O-N 2.77Å; L272-A275 VanDerWaalsContact O-N 3.11Å; A275-K277 VanDerWaalsContact C-N 3.3Å; A275-K277 PolarHBondContact O-N 3.46Å; A275-E278 PolarHBondContact O-N 2.98Å; A275-E278 VanDerWaalsContact O-N 3.08Å; A275-I279 HydrophobicContact CB-CD1 4.41Å; A275-I279 WeakPolarHBondContact O-CB 3.49Å; A275-I279 VanDerWaalsContact O-CG1 3.26Å; A275-I279 WeakPolarHBondContact O-CG1 3.34Å; A275-I279 PolarHBondContact O-N 3.05Å
276I97.7Very high97Very high0 Ų026.7 Ų26.70%013%0.125CC..Hα-helixtrans-54.8-45.2176.4-72.6176.2000111F176 F226 I230 L272 Q274 E278 G280 I287 F289F176-I276 HydrophobicContact CD1-CD1 4.32Å; F176-I276 HydrophobicContact CD2-CG2 4.02Å; F176-I276 HydrophobicContact CE1-CD1 3.76Å; F176-I276 HydrophobicContact CE1-CG2 4.48Å; F176-I276 HydrophobicContact CE2-CG2 3.7Å; F176-I276 HydrophobicContact CG-CG2 4.5Å; F176-I276 HydrophobicContact CZ-CD1 3.95Å; F176-I276 HydrophobicContact CZ-CG2 3.97Å; F226-I276 HydrophobicContact CZ-CG2 4.02Å; I230-I276 HydrophobicContact CD1-CG1 3.9Å; I230-I276 HydrophobicContact CG1-CG1 4.27Å; I230-I276 HydrophobicContact CG2-CG1 4.4Å; L272-I276 HydrophobicContact CD1-CD1 3.66Å; L272-I276 HydrophobicContact CD1-CG1 3.74Å; L272-I276 HydrophobicContact CD2-CD1 4.19Å; L272-I276 HydrophobicContact CG-CD1 3.63Å; L272-I276 HydrophobicContact CG-CG1 4.13Å; L272-I276 WeakPolarHBondContact O-CB 3.31Å; L272-I276 WeakPolarHBondContact O-CG1 3.22Å; L272-I276 PolarHBondContact O-N 2.98Å; Q274-I276 PolarHBondContact O-N 3Å; I276-E278 PolarHBondContact O-N 3.28Å; I276-G280 PolarHBondContact O-N 2.59Å; I276-I287 HydrophobicContact CG2-CB 4.37Å; I276-I287 HydrophobicContact CG2-CG1 4.19Å; I276-I287 HydrophobicContact CG2-CG2 3.76Å; I276-F289 HydrophobicContact CB-CZ 4.25Å; I276-F289 HydrophobicContact CD1-CZ 4.12Å; I276-F289 HydrophobicContact CG2-CE2 4.24Å; I276-F289 HydrophobicContact CG2-CZ 4.05Å
277K97.2Very high96.9Very high26 Ų2627 Ų2711%0.11313%0.127CC..Hα-helixtrans-64.5-38.6177.8-69.9-178.8176.8-170.90112.6Q274 A275 I287 F289 K505 F506 T507Q274-K277 PolarHBondContact O-N 3.3Å; A275-K277 VanDerWaalsContact C-N 3.3Å; A275-K277 PolarHBondContact O-N 3.46Å; K277-I287 HydrophobicContact CG-CB 4.32Å; K277-F289 HydrophobicContact CG-CE2 4.13Å; K277-K505 PolarHBondContact NZ-O 2.87Å; K277-F506 PolarHBondContact NZ-O 3.3Å; K277-F506 VanDerWaalsContact NZ-O 3.17Å; K277-T507 VanDerWaalsContact CE-O 3.31Å; K277-T507 WeakPolarHBondContact CE-O 3.29Å; K277-T507 PolarHBondContact NZ-O 3.13Å
278E96.2Very high96.9Very high26 Ų2626.8 Ų26.812%0.12113%0.125CC..Hα-helixtrans-75.7-40.5-178.7-69.7-178.8157.800112.3R32 W103 I104 Q274 A275 I276R32-E278 IonicContact CZ-OE1 3.94Å; R32-E278 IonicContact NH1-OE1 3.61Å; R32-E278 PolarHBondContact NH1-OE1 3.44Å; R32-E278 IonicContact NH1-OE2 2.66Å; R32-E278 PolarHBondContact NH1-OE2 3.42Å; R32-E278 IonicContact NH2-OE1 3.83Å; R32-E278 PolarHBondContact NH2-OE1 3.07Å; W103-E278 PolarHBondContact NE1-OE2 3.29Å; I104-E278 HydrophobicContact CG2-CB 4.17Å; I104-E278 HydrophobicContact CG2-CG 4.39Å; I104-E278 WeakPolarHBondContact CG2-OE2 3.46Å; Q274-E278 HydrophobicContact CG-CG 4.5Å; Q274-E278 VanDerWaalsContact NE2-CD 3.32Å; Q274-E278 PolarHBondContact NE2-OE1 3.23Å; Q274-E278 WeakPolarHBondContact O-CG 3.46Å; Q274-E278 PolarHBondContact O-N 3.33Å; Q274-E278 VanDerWaalsContact O-N 3.09Å; A275-E278 PolarHBondContact O-N 2.98Å; A275-E278 VanDerWaalsContact O-N 3.08Å; I276-E278 PolarHBondContact O-N 3.28Å
279I97Very high96.8Very high0 Ų025.3 Ų25.30%012%0.118CC..Hα-helixtrans-65.2-44.9174-66.8168.4000109.6W103 F226 D229 I230 N233 A275 K281 K282 H283W103-I279 HydrophobicContact CB-CD1 4.14Å; W103-I279 HydrophobicContact CB-CG1 3.59Å; W103-I279 HydrophobicContact CG-CD1 4.22Å; W103-I279 HydrophobicContact CG-CG1 3.81Å; F226-I279 HydrophobicContact CD2-CG2 3.81Å; F226-I279 HydrophobicContact CE2-CB 4.28Å; F226-I279 HydrophobicContact CE2-CG2 3.82Å; D229-I279 HydrophobicContact CB-CG2 4Å; D229-I279 WeakPolarHBondContact OD2-CG2 3.29Å; I230-I279 HydrophobicContact CB-CD1 4.44Å; I230-I279 HydrophobicContact CG1-CB 4.49Å; I230-I279 HydrophobicContact CG1-CD1 3.93Å; I230-I279 HydrophobicContact CG1-CG2 4.16Å; N233-I279 HydrophobicContact CB-CD1 4.29Å; A275-I279 HydrophobicContact CB-CD1 4.41Å; A275-I279 WeakPolarHBondContact O-CB 3.49Å; A275-I279 VanDerWaalsContact O-CG1 3.26Å; A275-I279 WeakPolarHBondContact O-CG1 3.34Å; A275-I279 PolarHBondContact O-N 3.05Å; I279-K281 PolarHBondContact O-N 3.37Å; I279-K281 VanDerWaalsContact O-N 3.11Å; I279-K282 WeakPolarHBondContact O-CA 3.5Å; I279-K282 VanDerWaalsContact O-CB 3.25Å; I279-K282 WeakPolarHBondContact O-CB 3.29Å; I279-K282 PolarHBondContact O-N 2.86Å; I279-H283 PolarHBondContact O-CD2 2.75Å; I279-H283 PolarHBondContact O-N 3.28Å
280G96.8Very high96.8Very high0 Ų025.3 Ų25.30%012%0.118CC..Hα-helixtrans-53.9-38.9-179.800000113I276 K282 H283 D284 M285I276-G280 PolarHBondContact O-N 2.59Å; G280-K282 PolarHBondContact O-N 3.19Å; G280-H283 CarbonylContact O-C 3.6Å; G280-H283 WeakPolarHBondContact O-CA 3.27Å; G280-H283 PolarHBondContact O-N 3.03Å; G280-D284 PolarHBondContact O-N 2.85Å; G280-M285 CarbonylContact C-O 3.58Å; G280-M285 WeakPolarHBondContact O-CA 3.38Å; G280-M285 WeakPolarHBondContact O-CB 3.42Å; G280-M285 PolarHBondContact O-N 2.89Å; G280-M285 VanDerWaalsContact O-O 3.13Å
281K94.4Very high96.6Very high124 Ų12425.3 Ų25.354%0.53912%0.118SC..G310 helixtrans-61.5-28.4176.3-70.7176.4-176175.80114.2K181 I279 M285K181-K281 PolarHBondContact NZ-O 3.3Å; I279-K281 PolarHBondContact O-N 3.37Å; I279-K281 VanDerWaalsContact O-N 3.11Å; K281-M285 WeakPolarHBondContact CA-O 3.42Å; K281-M285 PolarHBondContact N-O 3.23Å
282K93.8Very high96.4Very high109 Ų10925.3 Ų25.347%0.47412%0.117SC..G310 helixtrans-76.9-25.8175.3-64.5-178.3153-174.40112.6W103 I279 G280 D284W103-K282 WeakPolarHBondContact O-CE 3.25Å; W103-K282 PolarHBondContact O-NZ 2.94Å; I279-K282 WeakPolarHBondContact O-CA 3.5Å; I279-K282 VanDerWaalsContact O-CB 3.25Å; I279-K282 WeakPolarHBondContact O-CB 3.29Å; I279-K282 PolarHBondContact O-N 2.86Å; G280-K282 PolarHBondContact O-N 3.19Å; K282-D284 VanDerWaalsContact C-N 3.28Å
283H95.7Very high96.3Very high44 Ų4425.3 Ų25.320%0.20412%0.117CC..G310 helixtrans-93.919.7174.5-69.2-94.1000112.1D225 F226 D229 I279 G280 M285D225-H283 PolarHBondContact O-CE1 3.24Å; D225-H283 VanDerWaalsContact O-CE1 3.31Å; F226-H283 HydrophobicContact CB-CB 4.39Å; F226-H283 HydrophobicContact CD2-CB 4.23Å; F226-H283 AromaticContact CD2-CD2 3.84Å; F226-H283 AromaticContact CD2-CG 4Å; D229-H283 WeakPolarHBondContact CB-NE2 3.45Å; D229-H283 IonicContact OD2-CD2 2.97Å; D229-H283 IonicContact OD2-NE2 2.71Å; D229-H283 PolarHBondContact OD2-NE2 2.97Å; I279-H283 PolarHBondContact O-CD2 2.75Å; I279-H283 PolarHBondContact O-N 3.28Å; G280-H283 CarbonylContact O-C 3.6Å; G280-H283 WeakPolarHBondContact O-CA 3.27Å; G280-H283 PolarHBondContact O-N 3.03Å; H283-M285 HydrophobicContact CB-CE 4.21Å; H283-M285 HydrophobicContact CB-CG 4.47Å; H283-M285 HydrophobicContact CB-SD 4.38Å; H283-M285 WeakPolarHBondContact O-CG 3.28Å; H283-M285 PolarHBondContact O-N 3.32Å; H283-M285 VanDerWaalsContact O-N 3.17Å
284D95.7Very high96.1Very high97 Ų9726 Ų2652%0.51912%0.121SC..THydrogen-bonded Turntrans53.433.1-177.4-68-47.6000114.8K181 G280 K282K181-D284 WeakPolarHBondContact CB-O 3.19Å; K181-D284 HydrophobicContact CD-CB 4.25Å; K181-D284 WeakPolarHBondContact CD-OD1 3.28Å; K181-D284 PolarHBondContact N-O 3.45Å; K181-D284 IonicContact NZ-OD1 3.78Å; K181-D284 PolarHBondContact NZ-OD1 3.03Å; G280-D284 PolarHBondContact O-N 2.85Å; K282-D284 VanDerWaalsContact C-N 3.28Å
285M96.7Very high95.8Very high3 Ų324.8 Ų24.82%0.01512%0.116CC..EExtended strand (participates in β ladder)trans-111.7149.7174.7-59172-167.400111.6A178 F179 Y208 Y223 F226 G280 K281 H283 I287A178-M285 HydrophobicContact CB-CG 4.5Å; A178-M285 HydrophobicContact CB-SD 4.02Å; F179-M285 WeakPolarHBondContact O-CA 3.32Å; Y208-M285 HydrophobicContact CD1-CE 3.72Å; Y208-M285 HydrophobicContact CD1-CG 4.47Å; Y208-M285 HydrophobicContact CD1-SD 4.42Å; Y208-M285 HydrophobicContact CD2-CE 4.39Å; Y208-M285 HydrophobicContact CD2-CG 3.64Å; Y208-M285 HydrophobicContact CE1-CE 3.3Å; Y208-M285 HydrophobicContact CE1-SD 4.48Å; Y208-M285 HydrophobicContact CE2-CE 4.04Å; Y208-M285 HydrophobicContact CE2-CG 3.68Å; Y208-M285 HydrophobicContact CG-CE 4.25Å; Y208-M285 HydrophobicContact CG-CG 4.05Å; Y208-M285 HydrophobicContact CG-SD 4.46Å; Y208-M285 VanDerWaalsContact CZ-CE 3.47Å; Y223-M285 HydrophobicContact CD1-CE 3.9Å; Y223-M285 HydrophobicContact CD1-SD 4.35Å; Y223-M285 HydrophobicContact CE1-CE 4.14Å; Y223-M285 HydrophobicContact CE1-SD 4.36Å; F226-M285 HydrophobicContact CB-CE 4.16Å; F226-M285 HydrophobicContact CD1-SD 4.23Å; F226-M285 HydrophobicContact CD2-SD 4.45Å; F226-M285 HydrophobicContact CG-CE 4.42Å; F226-M285 HydrophobicContact CG-SD 4.15Å; G280-M285 CarbonylContact C-O 3.58Å; G280-M285 WeakPolarHBondContact O-CA 3.38Å; G280-M285 WeakPolarHBondContact O-CB 3.42Å; G280-M285 PolarHBondContact O-N 2.89Å; G280-M285 VanDerWaalsContact O-O 3.13Å; K281-M285 WeakPolarHBondContact CA-O 3.42Å; K281-M285 PolarHBondContact N-O 3.23Å; H283-M285 HydrophobicContact CB-CE 4.21Å; H283-M285 HydrophobicContact CB-CG 4.47Å; H283-M285 HydrophobicContact CB-SD 4.38Å; H283-M285 WeakPolarHBondContact O-CG 3.28Å; H283-M285 PolarHBondContact O-N 3.32Å; H283-M285 VanDerWaalsContact O-N 3.17Å; M285-I287 HydrophobicContact CB-CD1 4.02Å; M285-I287 HydrophobicContact SD-CD1 4.44Å
286E96.4Very high95.4Very high27 Ų2732.6 Ų32.613%0.12616%0.158CC..EExtended strand (participates in β ladder)trans-105.5123.3160-75.9-178.5136.200109.5F179 G182 T183 F184F179-E286 HydrophobicContact CB-CB 4.47Å; F179-E286 PolarHBondContact N-O 3.41Å; F179-E286 PolarHBondContact O-N 3.48Å; G182-E286 PolarHBondContact N-OE2 3.24Å; T183-E286 PolarHBondContact N-OE2 2.94Å; T183-E286 VanDerWaalsContact N-OE2 3.09Å; F184-E286 WeakPolarHBondContact CB-OE2 3.33Å; F184-E286 HydrophobicContact CD1-CB 3.74Å; F184-E286 HydrophobicContact CD1-CG 4.39Å; F184-E286 WeakPolarHBondContact CD1-OE2 3.39Å; F184-E286 HydrophobicContact CD2-CB 4.2Å; F184-E286 HydrophobicContact CE1-CB 3.47Å; F184-E286 VanDerWaalsContact CE1-CB 3.47Å; F184-E286 HydrophobicContact CE2-CB 3.94Å; F184-E286 HydrophobicContact CG-CB 4.12Å; F184-E286 HydrophobicContact CG-CG 4.4Å; F184-E286 WeakPolarHBondContact CG-OE2 3.34Å; F184-E286 HydrophobicContact CZ-CB 3.57Å; F184-E286 PolarHBondContact N-OE2 2.77Å; F184-E286 VanDerWaalsContact N-OE2 3.08Å
287I97.6Very high95Very high7 Ų733.2 Ų33.24%0.03616%0.163CC..EExtended strand (participates in β ladder)trans-101.6134.1-178-52.1-57.9000111F176 R177 A178 F226 I276 K277 M285 F289F176-I287 HydrophobicContact CB-CG2 4.16Å; F176-I287 HydrophobicContact CD2-CG2 3.52Å; F176-I287 HydrophobicContact CE2-CG2 4.27Å; F176-I287 HydrophobicContact CG-CG2 4.16Å; R177-I287 CarbonylContact O-C 3.54Å; R177-I287 WeakPolarHBondContact O-CA 3.5Å; A178-I287 HydrophobicContact CB-CD1 3.7Å; F226-I287 HydrophobicContact CE1-CD1 4.42Å; F226-I287 HydrophobicContact CZ-CD1 3.97Å; F226-I287 HydrophobicContact CZ-CG1 4.23Å; I276-I287 HydrophobicContact CG2-CB 4.37Å; I276-I287 HydrophobicContact CG2-CG1 4.19Å; I276-I287 HydrophobicContact CG2-CG2 3.76Å; K277-I287 HydrophobicContact CG-CB 4.32Å; M285-I287 HydrophobicContact CB-CD1 4.02Å; M285-I287 HydrophobicContact SD-CD1 4.44Å; I287-F289 HydrophobicContact CG2-CD2 4.43Å; I287-F289 HydrophobicContact CG2-CE2 4Å
288S97.4Very high94.7Very high0 Ų033 Ų330%017%0.165CC..EExtended strand (participates in β ladder)trans-124.2138.1172.8-166.50000112.2F176 R177 M290 L504F176-S288 WeakPolarHBondContact CB-O 3.42Å; R177-S288 PolarHBondContact N-O 3.32Å; R177-S288 PolarHBondContact O-N 2.99Å; S288-M290 WeakPolarHBondContact OG-CB 3.22Å; S288-M290 PolarHBondContact OG-N 3.5Å; S288-M290 VanDerWaalsContact OG-N 3.1Å; S288-L504 VanDerWaalsContact CB-O 3.31Å; S288-L504 WeakPolarHBondContact CB-O 3.47Å; S288-L504 PolarHBondContact OG-O 2.87Å
289F97.7Very high94.5Very high0 Ų032.9 Ų32.90%017%0.167CC..  trans-101.314166.6-66.7-102.7000111.5P174 F176 Y269 K273 I276 K277 I287 T291 S398 A399 T507P174-F289 HydrophobicContact CB-CE1 4.33Å; F176-F289 HydrophobicContact CB-CD1 3.75Å; F176-F289 HydrophobicContact CB-CD2 4.28Å; F176-F289 HydrophobicContact CB-CE1 3.66Å; F176-F289 HydrophobicContact CB-CE2 4.21Å; F176-F289 HydrophobicContact CB-CG 4.05Å; F176-F289 HydrophobicContact CB-CZ 3.9Å; F176-F289 AromaticContact CD1-CE1 3.91Å; F176-F289 HydrophobicContact CD1-CE1 3.91Å; F176-F289 HydrophobicContact CD1-CZ 4.09Å; F176-F289 HydrophobicContact CG-CE1 4.04Å; F176-F289 HydrophobicContact CG-CZ 4.03Å; Y269-F289 HydrophobicContact CE2-CE1 4.3Å; K273-F289 HydrophobicContact CB-CZ 4.28Å; K273-F289 HydrophobicContact CD-CD1 4.4Å; K273-F289 HydrophobicContact CD-CG 4.4Å; K273-F289 HydrophobicContact CG-CD1 4.18Å; K273-F289 HydrophobicContact CG-CD2 3.9Å; K273-F289 HydrophobicContact CG-CE1 4.04Å; K273-F289 HydrophobicContact CG-CE2 3.75Å; K273-F289 HydrophobicContact CG-CG 4.13Å; K273-F289 HydrophobicContact CG-CZ 3.83Å; I276-F289 HydrophobicContact CB-CZ 4.25Å; I276-F289 HydrophobicContact CD1-CZ 4.12Å; I276-F289 HydrophobicContact CG2-CE2 4.24Å; I276-F289 HydrophobicContact CG2-CZ 4.05Å; K277-F289 HydrophobicContact CG-CE2 4.13Å; I287-F289 HydrophobicContact CG2-CD2 4.43Å; I287-F289 HydrophobicContact CG2-CE2 4Å; F289-T291 PolarHBondContact O-N 2.94Å; F289-S398 WeakPolarHBondContact CB-O 3.11Å; F289-S398 CarbonylContact O-C 3.18Å; F289-S398 VanDerWaalsContact O-C 3.29Å; F289-S398 WeakPolarHBondContact O-CB 3.41Å; F289-A399 PolarHBondContact O-N 2.63Å; F289-A399 VanDerWaalsContact O-N 3.12Å; F289-T507 PolarHBondContact N-O 3.21Å
290M96.5Very high94.4Very high1 Ų132.9 Ų32.91%0.00517%0.167CC..  trans-58.7133.9171.6-179176.1176.900108.9S288 K292 P293 N354 L496 E499 R500 Y503 L504 T507S288-M290 WeakPolarHBondContact OG-CB 3.22Å; S288-M290 PolarHBondContact OG-N 3.5Å; S288-M290 VanDerWaalsContact OG-N 3.1Å; M290-K292 PolarHBondContact O-N 2.83Å; M290-P293 HydrophobicContact CB-CB 4.35Å; M290-P293 HydrophobicContact CG-CB 4.26Å; M290-P293 WeakPolarHBondContact O-CD 3.24Å; M290-P293 HydrophobicContact SD-CB 3.92Å; M290-N354 HydrophobicContact CE-CB 4.08Å; M290-N354 WeakPolarHBondContact CE-ND2 3.38Å; M290-N354 VanDerWaalsContact CG-OD1 3.27Å; M290-N354 WeakPolarHBondContact CG-OD1 3.32Å; M290-L496 HydrophobicContact CE-CD1 3.86Å; M290-E499 HydrophobicContact CE-CB 3.78Å; M290-R500 HydrophobicContact CE-CG 3.95Å; M290-R500 HydrophobicContact SD-CG 4.01Å; M290-Y503 HydrophobicContact CE-CD2 4.36Å; M290-L504 HydrophobicContact SD-CB 4.15Å; M290-L504 HydrophobicContact SD-CD1 4.09Å; M290-T507 VanDerWaalsContact CA-OG1 3.28Å; M290-T507 WeakPolarHBondContact CA-OG1 3.5Å; M290-T507 PolarHBondContact N-OG1 3.22Å; M290-T507 VanDerWaalsContact N-OG1 3.1Å
291T94.9Very high94.3Very high0 Ų033.1 Ų33.10%017%0.169CC..SBendtrans-63.5-42.6-172.1-590000112.8F289 S299 S300 N354 C355 R358 S397F289-T291 PolarHBondContact O-N 2.94Å; T291-S299 CarbonylContact O-C 3.51Å; T291-S299 VanDerWaalsContact O-CA 3.23Å; T291-S299 WeakPolarHBondContact O-CA 3.46Å; T291-S299 WeakPolarHBondContact O-CB 3.03Å; T291-S300 PolarHBondContact O-N 2.77Å; T291-N354 PolarHBondContact N-OD1 2.85Å; T291-C355 PolarHBondContact OG1-SG 2.89Å; T291-R358 HydrophobicContact CG2-CB 3.57Å; T291-R358 HydrophobicContact CG2-CG 4.25Å; T291-S397 WeakPolarHBondContact OG1-CB 3.22Å
292K94.4Very high94.5Very high12 Ų1227.2 Ų27.25%0.05214%0.143CC..  trans-139.777.1-176.3-17066.3163-162.40110.4M290 L294 L295 A297 S298 S299 N354 R357 L496M290-K292 PolarHBondContact O-N 2.83Å; K292-L294 VanDerWaalsContact C-N 3.32Å; K292-L294 VanDerWaalsContact CD-O 3.28Å; K292-L294 WeakPolarHBondContact CD-O 3.39Å; K292-L294 WeakPolarHBondContact CE-O 3.15Å; K292-L295 WeakPolarHBondContact CE-O 3.19Å; K292-A297 WeakPolarHBondContact CE-O 3.22Å; K292-A297 PolarHBondContact NZ-O 3.18Å; K292-S298 WeakPolarHBondContact CD-O 3.31Å; K292-S298 VanDerWaalsContact NZ-C 3.29Å; K292-S298 PolarHBondContact NZ-O 3.48Å; K292-S299 WeakPolarHBondContact CD-OG 3.33Å; K292-S299 PolarHBondContact NZ-OG 3.38Å; K292-N354 PolarHBondContact N-OD1 2.85Å; K292-N354 PolarHBondContact O-ND2 2.8Å; K292-R357 HydrophobicContact CB-CB 3.98Å; K292-R357 HydrophobicContact CG-CB 3.99Å; K292-L496 WeakPolarHBondContact O-CD1 3.39Å
293P94.8Very high94.6Very high0 Ų023.2 Ų23.20%013%0.126CC..SBendtrans-82.5-9.6-179.832.7-34.3000113.5F179 M290 L496 L504F179-P293 HydrophobicContact CE2-CG 4.33Å; F179-P293 HydrophobicContact CZ-CB 3.92Å; F179-P293 HydrophobicContact CZ-CG 3.77Å; M290-P293 HydrophobicContact CB-CB 4.35Å; M290-P293 HydrophobicContact CG-CB 4.26Å; M290-P293 WeakPolarHBondContact O-CD 3.24Å; M290-P293 HydrophobicContact SD-CB 3.92Å; P293-L496 WeakPolarHBondContact O-CD2 3.35Å; P293-L504 HydrophobicContact CB-CD1 3.86Å
294L93.9Very high94.7Very high17 Ų1721.1 Ų21.19%0.08912%0.116CC..SBendtrans-131.2133.2179.1-61170.3000109.3F179 P205 P207 K292 A297F179-L294 HydrophobicContact CE1-CD1 4.39Å; F179-L294 HydrophobicContact CE1-CD2 4.28Å; F179-L294 HydrophobicContact CE1-CG 4.36Å; P205-L294 HydrophobicContact CG-CD2 3.75Å; P207-L294 HydrophobicContact CG-CD1 3.67Å; K292-L294 VanDerWaalsContact C-N 3.32Å; K292-L294 VanDerWaalsContact CD-O 3.28Å; K292-L294 WeakPolarHBondContact CD-O 3.39Å; K292-L294 WeakPolarHBondContact CE-O 3.15Å; L294-A297 HydrophobicContact CB-CB 3.87Å; L294-A297 HydrophobicContact CD1-CB 3.91Å
295L90.8Very high94.8Very high27 Ų2717.1 Ų17.114%0.14110%0.095CC..THydrogen-bonded Turntrans-66.6-42.3179.9-72.3179.4000112.9K292 N491 E493 L496K292-L295 WeakPolarHBondContact CE-O 3.19Å; L295-N491 HydrophobicContact CD1-CB 4.43Å; L295-N491 WeakPolarHBondContact CD1-O 3.18Å; L295-N491 HydrophobicContact CD2-CB 4.15Å; L295-E493 HydrophobicContact CD1-CG 4Å; L295-E493 WeakPolarHBondContact CD1-OE1 3.46Å; L295-E493 WeakPolarHBondContact CG-OE1 3.39Å; L295-L496 HydrophobicContact CD2-CB 4.4Å; L295-L496 HydrophobicContact CD2-CD2 3.91Å; L295-L496 HydrophobicContact CG-CB 4.5Å; L295-L496 HydrophobicContact CG-CD2 3.68Å
296N87.2Confident95Very high164 Ų16417 Ų1788%0.87710%0.095SC*.THydrogen-bonded Turntrans-99.610.1-169.7-61-34.4000114.8
297A89.9Confident95.1Very high13 Ų1316.1 Ų16.111%0.1079%0.092CC..SBendtrans-102.2179.5171.100000110.1K292 L294K292-A297 WeakPolarHBondContact CE-O 3.22Å; K292-A297 PolarHBondContact NZ-O 3.18Å; L294-A297 HydrophobicContact CB-CB 3.87Å; L294-A297 HydrophobicContact CD1-CB 3.91Å
298S90.9Very high95.1Very high23 Ų2315.8 Ų15.816%0.1619%0.09CC..  trans-63.6-173165.7590000112.1R177 D248 G249 Q252 K292R177-S298 PolarHBondContact NH2-O 2.71Å; R177-S298 PolarHBondContact NH2-OG 3.46Å; D248-S298 WeakPolarHBondContact OD2-CB 3.47Å; G249-S298 WeakPolarHBondContact CA-OG 3.39Å; G249-S298 PolarHBondContact N-OG 3.42Å; G249-S298 VanDerWaalsContact N-OG 3.16Å; Q252-S298 PolarHBondContact OE1-OG 3.01Å; K292-S298 WeakPolarHBondContact CD-O 3.31Å; K292-S298 VanDerWaalsContact NZ-C 3.29Å; K292-S298 PolarHBondContact NZ-O 3.48Å
299S92.9Very high95.2Very high23 Ų2317.6 Ų17.616%0.16110%0.097CC..  trans-123.6151.8177.1-340000109.5Q252 T291 K292Q252-S299 PolarHBondContact NE2-O 2.84Å; Q252-S299 VanDerWaalsContact NE2-O 3.11Å; T291-S299 CarbonylContact O-C 3.51Å; T291-S299 VanDerWaalsContact O-CA 3.23Å; T291-S299 WeakPolarHBondContact O-CA 3.46Å; T291-S299 WeakPolarHBondContact O-CB 3.03Å; K292-S299 WeakPolarHBondContact CD-OG 3.33Å; K292-S299 PolarHBondContact NZ-OG 3.38Å
300S94.9Very high95.2Very high0 Ų021.3 Ų21.30%011%0.111CC..  trans-86.3115.2179.6-60.90000112.4E175 T291 S398E175-S300 VanDerWaalsContact OE2-CA 3.22Å; E175-S300 WeakPolarHBondContact OE2-CA 3.38Å; T291-S300 PolarHBondContact O-N 2.77Å; S300-S398 WeakPolarHBondContact CB-OG 3.45Å; S300-S398 PolarHBondContact O-OG 2.86Å
301G94.6Very high95.2Very high4 Ų423 Ų234%0.04113%0.125CC..BIsolated β-bridgetrans-90.9161.417400000114E175 S398E175-G301 WeakPolarHBondContact CB-O 3.24Å; E175-G301 PolarHBondContact N-O 3.3Å; E175-G301 PolarHBondContact OE2-N 3.07Å; G301-S398 PolarHBondContact O-OG 3.38Å
302C96.8Very high95.3Very high0 Ų028.5 Ų28.50%016%0.155CC..EExtended strand (participates in β ladder)trans-137.182.6164.1-169.90000108.3E173 Y269 Y304 P396E173-C302 VanDerWaalsContact O-CA 3.3Å; E173-C302 WeakPolarHBondContact O-CA 3.39Å; Y269-C302 VanDerWaalsContact CE1-SG 3.56Å; C302-Y304 PolarHBondContact O-N 2.98Å; C302-P396 PolarHBondContact N-O 3.07Å; C302-P396 VanDerWaalsContact N-O 3.16Å; C302-P396 VanDerWaalsContact O-CB 3.27Å; C302-P396 WeakPolarHBondContact O-CB 3.31Å
303H96.6Very high95.4Very high25 Ų2532 Ų3212%0.11618%0.177CC..EExtended strand (participates in β ladder)trans-63.9139.8178-49.3137000109.2E173 E392 R394E173-H303 HydrophobicContact CB-CB 4.14Å; E173-H303 PolarHBondContact N-O 3.11Å; E173-H303 WeakPolarHBondContact OE2-CB 3.32Å; E173-H303 IonicContact OE2-CG 3.37Å; E173-H303 IonicContact OE2-ND1 3.99Å; E173-H303 PolarHBondContact OE2-ND1 3.27Å; H303-E392 HydrophobicContact CB-CG 3.98Å; H303-R394 PolarHBondContact CE1-NH1 3.21Å; H303-R394 PolarHBondContact NE2-NH1 2.65Å; H303-R394 VanDerWaalsContact NE2-NH1 3.19Å; H303-R394 PolarHBondContact NE2-NH2 2.79Å
304Y98.5Very high95.4Very high0 Ų034.3 Ų34.30%020%0.201CC..EExtended strand (participates in β ladder)trans-112.2114178.6177.7-113.9000109.1S170 A171 F172 C302 H306 E392 N393 V405 L406 T409S170-Y304 VanDerWaalsContact CB-CE2 3.5Å; S170-Y304 VanDerWaalsContact CB-CZ 3.44Å; S170-Y304 WeakPolarHBondContact CB-OH 3.48Å; S170-Y304 PolarHBondContact OG-OH 2.86Å; A171-Y304 WeakPolarHBondContact O-CD2 3.48Å; F172-Y304 AromaticContact CD1-CD2 3.79Å; F172-Y304 HydrophobicContact CD1-CD2 3.79Å; F172-Y304 HydrophobicContact CD2-CD2 4.21Å; F172-Y304 HydrophobicContact CD2-CE2 4.37Å; F172-Y304 AromaticContact CE1-CD2 3.55Å; F172-Y304 HydrophobicContact CE1-CD2 3.55Å; F172-Y304 HydrophobicContact CE1-CE2 4.15Å; F172-Y304 HydrophobicContact CE1-CG 4.29Å; F172-Y304 AromaticContact CE2-CD2 3.97Å; F172-Y304 HydrophobicContact CE2-CD2 3.97Å; F172-Y304 AromaticContact CE2-CE2 3.85Å; F172-Y304 HydrophobicContact CE2-CE2 3.85Å; F172-Y304 HydrophobicContact CG-CD2 4.14Å; F172-Y304 AromaticContact CZ-CD2 3.66Å; F172-Y304 HydrophobicContact CZ-CD2 3.66Å; F172-Y304 AromaticContact CZ-CE2 3.76Å; F172-Y304 HydrophobicContact CZ-CE2 3.76Å; C302-Y304 PolarHBondContact O-N 2.98Å; Y304-H306 HydrophobicContact CD1-CB 4.37Å; Y304-H306 AromaticContact CD1-ND1 3.58Å; Y304-H306 HydrophobicContact CE1-CB 3.68Å; Y304-H306 AromaticContact CE1-CG 3.76Å; Y304-H306 AromaticContact CE1-ND1 3.54Å; Y304-E392 CarbonylContact O-C 3.59Å; Y304-E392 WeakPolarHBondContact O-CA 3.01Å; Y304-N393 PolarHBondContact N-O 2.84Å; Y304-N393 PolarHBondContact O-N 3.36Å; Y304-V405 HydrophobicContact CD1-CG1 4.06Å; Y304-V405 HydrophobicContact CD2-CG1 4.28Å; Y304-V405 HydrophobicContact CG-CG1 3.79Å; Y304-L406 HydrophobicContact CD2-CD1 4.41Å; Y304-L406 HydrophobicContact CE2-CD1 3.53Å; Y304-T409 HydrophobicContact CD1-CG2 4.27Å; Y304-T409 HydrophobicContact CE1-CG2 3.86Å
305N98.5Very high95.6Very high14 Ų1439.2 Ų39.28%0.07522%0.218CC..EExtended strand (participates in β ladder)trans-100.1126.8179.8-63.3-79.1000109.1S170 A171 E173 Y390 I391 E392S170-N305 CarbonylContact C-O 3.55Å; S170-N305 WeakPolarHBondContact CA-O 3.37Å; S170-N305 VanDerWaalsContact CB-O 3.22Å; S170-N305 WeakPolarHBondContact CB-O 3.24Å; A171-N305 PolarHBondContact N-O 3.24Å; A171-N305 PolarHBondContact O-N 3.45Å; E173-N305 VanDerWaalsContact CD-ND2 3.29Å; E173-N305 PolarHBondContact OE1-ND2 3.4Å; N305-Y390 HydrophobicContact CB-CD2 3.93Å; N305-Y390 HydrophobicContact CB-CE2 3.99Å; N305-Y390 VanDerWaalsContact OD1-CE2 3.28Å; N305-Y390 WeakPolarHBondContact OD1-CE2 3.43Å; N305-I391 CarbonylContact C-O 3.53Å; N305-I391 WeakPolarHBondContact CA-O 3.28Å; N305-E392 VanDerWaalsContact OD1-CB 3.27Å; N305-E392 WeakPolarHBondContact OD1-CB 3.43Å; N305-E392 WeakPolarHBondContact OD1-CG 3.13Å
306H98.8Very high95.9Very high1 Ų138 Ų381%0.00521%0.212CC..EExtended strand (participates in β ladder)trans-144.6150.718066.6-82.7000113.5L168 F169 Y304 W334 Y390 I391L168-H306 HydrophobicContact CD1-CB 3.95Å; F169-H306 CarbonylContact O-C 3.5Å; F169-H306 WeakPolarHBondContact O-CA 3.43Å; Y304-H306 HydrophobicContact CD1-CB 4.37Å; Y304-H306 AromaticContact CD1-ND1 3.58Å; Y304-H306 HydrophobicContact CE1-CB 3.68Å; Y304-H306 AromaticContact CE1-CG 3.76Å; Y304-H306 AromaticContact CE1-ND1 3.54Å; H306-W334 AromaticContact CD2-NE1 3.73Å; H306-W334 AromaticContact NE2-CD1 3.79Å; H306-W334 AromaticContact NE2-CE2 3.96Å; H306-W334 AromaticContact NE2-NE1 3.05Å; H306-W334 PolarHBondContact NE2-NE1 3.37Å; H306-Y390 WeakPolarHBondContact O-CB 3.03Å; H306-I391 PolarHBondContact N-O 2.97Å; H306-I391 PolarHBondContact ND1-O 3.49Å; H306-I391 PolarHBondContact O-N 2.61Å
307S98.7Very high96.5Very high8 Ų830.3 Ų30.36%0.05617%0.171CC..EExtended strand (participates in β ladder)trans-137.9155.8172.251.20000109.7F169 W309F169-S307 PolarHBondContact N-O 3.26Å; F169-S307 PolarHBondContact O-N 3.42Å; F169-S307 PolarHBondContact O-OG 3.22Å; S307-W309 PolarHBondContact OG-NE1 3.46Å
308L98.8Very high96.9Very high0 Ų029.7 Ų29.70%017%0.166CC..EExtended strand (participates in β ladder)trans-110.8142.1175-60-176.8000109.6L160 L166 R167 L168 N316 A317 F318 W334L160-L308 HydrophobicContact CD1-CD1 4.27Å; L160-L308 HydrophobicContact CD1-CD2 4.43Å; L160-L308 HydrophobicContact CD2-CD2 3.84Å; L166-L308 HydrophobicContact CD1-CB 4.43Å; L166-L308 HydrophobicContact CD1-CD1 3.91Å; L166-L308 HydrophobicContact CD2-CB 4.4Å; R167-L308 CarbonylContact O-C 3.4Å; R167-L308 WeakPolarHBondContact O-CA 3.48Å; L168-L308 HydrophobicContact CB-CD2 4.45Å; L168-L308 HydrophobicContact CD1-CD2 3.91Å; L308-N316 PolarHBondContact O-OD1 3.25Å; L308-A317 HydrophobicContact CB-CB 4.14Å; L308-A317 WeakPolarHBondContact O-CB 3.18Å; L308-A317 PolarHBondContact O-N 2.79Å; L308-F318 HydrophobicContact CB-CD1 4.36Å; L308-F318 HydrophobicContact CB-CE1 3.97Å; L308-F318 HydrophobicContact CB-CZ 4.17Å; L308-F318 HydrophobicContact CD1-CE1 3.59Å; L308-F318 HydrophobicContact CD1-CZ 3.81Å; L308-F318 HydrophobicContact CG-CE1 3.67Å; L308-F318 HydrophobicContact CG-CE2 4.32Å; L308-F318 HydrophobicContact CG-CZ 3.55Å; L308-W334 HydrophobicContact CD1-CD2 3.8Å; L308-W334 HydrophobicContact CD1-CE3 3.44Å; L308-W334 VanDerWaalsContact CD1-CE3 3.44Å; L308-W334 HydrophobicContact CD1-CH2 4.02Å; L308-W334 HydrophobicContact CD1-CZ2 4.35Å; L308-W334 HydrophobicContact CD1-CZ3 3.56Å; L308-W334 HydrophobicContact CD2-CH2 4.34Å
309W98.7Very high97.2Very high38 Ų3831.1 Ų31.114%0.14417%0.168CC..EExtended strand (participates in β ladder)trans-133.1134.5-176.2-63.373.9000110.2L166 R167 W261 S307 A311 G314 R315 N316L166-W309 CarbonylContact C-O 3.57Å; L166-W309 WeakPolarHBondContact CA-O 3.26Å; R167-W309 PolarHBondContact N-O 2.68Å; R167-W309 PolarHBondContact O-N 3.27Å; W261-W309 HydrophobicContact CH2-CB 3.81Å; W261-W309 AromaticContact CH2-CD1 3.73Å; W261-W309 HydrophobicContact CH2-CD2 4.04Å; W261-W309 AromaticContact CH2-CG 3.57Å; W261-W309 HydrophobicContact CH2-CG 3.57Å; W261-W309 HydrophobicContact CZ3-CB 3.87Å; W261-W309 AromaticContact CZ3-CD1 3.79Å; W261-W309 AromaticContact CZ3-CG 3.87Å; W261-W309 HydrophobicContact CZ3-CG 3.87Å; S307-W309 PolarHBondContact OG-NE1 3.46Å; W309-A311 PolarHBondContact O-N 2.92Å; W309-G314 WeakPolarHBondContact CZ3-O 3.38Å; W309-R315 CarbonylContact C-O 3.42Å; W309-R315 VanDerWaalsContact CA-O 3.32Å; W309-R315 WeakPolarHBondContact CA-O 3.32Å; W309-N316 HydrophobicContact CD2-CB 4.15Å; W309-N316 HydrophobicContact CE3-CB 4.01Å; W309-N316 HydrophobicContact CH2-CB 3.91Å; W309-N316 HydrophobicContact CZ2-CB 4.03Å; W309-N316 HydrophobicContact CZ3-CB 3.9Å
310Y98.4Very high97.5Very high78 Ų7832.1 Ų32.131%0.30617%0.172SC..EExtended strand (participates in β ladder)trans-65.9126.1175.1-71.1-70.1000110.2N165 L166 D312 T313 G314 R315 A317 T330N165-Y310 WeakPolarHBondContact O-CA 3.36Å; L166-Y310 HydrophobicContact CD2-CD1 3.59Å; L166-Y310 HydrophobicContact CD2-CE1 3.71Å; L166-Y310 HydrophobicContact CD2-CG 4.1Å; Y310-D312 VanDerWaalsContact C-N 3.28Å; Y310-D312 WeakPolarHBondContact CB-OD1 3.14Å; Y310-D312 PolarHBondContact O-N 2.78Å; Y310-T313 VanDerWaalsContact CB-OG1 3.3Å; Y310-T313 WeakPolarHBondContact CB-OG1 3.33Å; Y310-G314 WeakPolarHBondContact O-CA 3.14Å; Y310-G314 PolarHBondContact O-N 2.84Å; Y310-R315 HydrophobicContact CD2-CB 4.41Å; Y310-R315 PolarHBondContact N-O 3.44Å; Y310-A317 HydrophobicContact CD2-CB 3.85Å; Y310-A317 HydrophobicContact CE1-CB 4.43Å; Y310-A317 HydrophobicContact CE2-CB 3.56Å; Y310-A317 HydrophobicContact CG-CB 4.41Å; Y310-T330 PolarHBondContact OH-OG1 3.37Å
311A96.1Very high97.5Very high36 Ų3637.6 Ų37.630%0.29820%0.201SC..THydrogen-bonded Turntrans-69.3-27.3-171.200000113.4N165 R167 W309N165-A311 PolarHBondContact O-N 2.84Å; N165-A311 WeakPolarHBondContact OD1-CB 3.29Å; R167-A311 HydrophobicContact CG-CB 3.86Å; W309-A311 PolarHBondContact O-N 2.92Å
312D96.3Very high97.5Very high116 Ų11642.7 Ų42.762%0.6223%0.231SC*.THydrogen-bonded Turntrans-82.9-41.4-178.457.1-9.7000113.1N165 Y310N165-D312 PolarHBondContact ND2-OD1 3.18Å; N165-D312 PolarHBondContact ND2-OD2 2.94Å; Y310-D312 VanDerWaalsContact C-N 3.28Å; Y310-D312 WeakPolarHBondContact CB-OD1 3.14Å; Y310-D312 PolarHBondContact O-N 2.78Å
313T96.5Very high97.5Very high85 Ų8544.6 Ų44.652%0.52124%0.242SC..THydrogen-bonded Turntrans-100.9-20.4-17459.10000113.2Y310 R315Y310-T313 VanDerWaalsContact CB-OG1 3.3Å; Y310-T313 WeakPolarHBondContact CB-OG1 3.33Å; T313-R315 PolarHBondContact O-N 3.49Å; T313-R315 PolarHBondContact OG1-N 2.75Å
314G96.1Very high97.3Very high48 Ų4850 Ų5050%0.49528%0.279SS..  trans65.819.4-172.400000113.4W309 Y310W309-G314 WeakPolarHBondContact CZ3-O 3.38Å; Y310-G314 WeakPolarHBondContact O-CA 3.14Å; Y310-G314 PolarHBondContact O-N 2.84Å
315R97.5Very high97.1Very high120 Ų12052.7 Ų52.745%0.45329%0.293SS..  trans-85.9145.8175.5-68.1-175.264.6-153.8-5111.3W309 Y310 T313 A317 E386W309-R315 CarbonylContact C-O 3.42Å; W309-R315 VanDerWaalsContact CA-O 3.32Å; W309-R315 WeakPolarHBondContact CA-O 3.32Å; Y310-R315 HydrophobicContact CD2-CB 4.41Å; Y310-R315 PolarHBondContact N-O 3.44Å; T313-R315 PolarHBondContact O-N 3.49Å; T313-R315 PolarHBondContact OG1-N 2.75Å; R315-A317 PolarHBondContact O-N 3.13Å; R315-E386 WeakPolarHBondContact CG-OE1 3.41Å; R315-E386 IonicContact CZ-OE1 2.79Å; R315-E386 IonicContact NE-OE1 2.94Å; R315-E386 PolarHBondContact NE-OE1 2.91Å; R315-E386 IonicContact NH2-OE1 3.05Å
316N98.4Very high96.9Very high2 Ų252.6 Ų52.61%0.01130%0.296CS..BIsolated β-bridgetrans-71.6116.3175.8-171.9-23.4000109.7L308 W309 F318 Y319 E386 T389L308-N316 PolarHBondContact O-OD1 3.25Å; W309-N316 HydrophobicContact CD2-CB 4.15Å; W309-N316 HydrophobicContact CE3-CB 4.01Å; W309-N316 HydrophobicContact CH2-CB 3.91Å; W309-N316 HydrophobicContact CZ2-CB 4.03Å; W309-N316 HydrophobicContact CZ3-CB 3.9Å; N316-F318 PolarHBondContact O-N 2.76Å; N316-F318 WeakPolarHBondContact OD1-CB 3.46Å; N316-F318 PolarHBondContact OD1-N 2.89Å; N316-Y319 PolarHBondContact O-N 3.14Å; N316-E386 HydrophobicContact CB-CG 4.05Å; N316-E386 WeakPolarHBondContact CB-O 3.34Å; N316-E386 PolarHBondContact ND2-O 3.03Å; N316-T389 PolarHBondContact ND2-O 2.85Å
317A98.5Very high96.9Very high2 Ų252.6 Ų52.62%0.01730%0.296CS..THydrogen-bonded Turntrans-72.8-11.7-175.900000113.1L166 L308 Y310 R315 S328 T330L166-A317 HydrophobicContact CD2-CB 3.43Å; L166-A317 VanDerWaalsContact CD2-CB 3.43Å; L308-A317 HydrophobicContact CB-CB 4.14Å; L308-A317 WeakPolarHBondContact O-CB 3.18Å; L308-A317 PolarHBondContact O-N 2.79Å; Y310-A317 HydrophobicContact CD2-CB 3.85Å; Y310-A317 HydrophobicContact CE1-CB 4.43Å; Y310-A317 HydrophobicContact CE2-CB 3.56Å; Y310-A317 HydrophobicContact CG-CB 4.41Å; R315-A317 PolarHBondContact O-N 3.13Å; A317-S328 WeakPolarHBondContact O-CB 3.27Å; A317-S328 PolarHBondContact O-OG 3.32Å; A317-T330 HydrophobicContact CB-CG2 4.28Å; A317-T330 WeakPolarHBondContact O-CB 3.34Å
318F98.6Very high96.8Very high1 Ų152.7 Ų52.70%0.00430%0.296CS..THydrogen-bonded Turntrans-88.1-16.2176.2-70-16.3000114.5L308 N316 S328 A331 W334 T389 I391L308-F318 HydrophobicContact CB-CD1 4.36Å; L308-F318 HydrophobicContact CB-CE1 3.97Å; L308-F318 HydrophobicContact CB-CZ 4.17Å; L308-F318 HydrophobicContact CD1-CE1 3.59Å; L308-F318 HydrophobicContact CD1-CZ 3.81Å; L308-F318 HydrophobicContact CG-CE1 3.67Å; L308-F318 HydrophobicContact CG-CE2 4.32Å; L308-F318 HydrophobicContact CG-CZ 3.55Å; N316-F318 PolarHBondContact O-N 2.76Å; N316-F318 WeakPolarHBondContact OD1-CB 3.46Å; N316-F318 PolarHBondContact OD1-N 2.89Å; F318-S328 WeakPolarHBondContact CA-OG 3.49Å; F318-S328 PolarHBondContact O-N 2.99Å; F318-S328 PolarHBondContact O-OG 3.19Å; F318-A331 HydrophobicContact CB-CB 3.84Å; F318-A331 HydrophobicContact CD1-CB 3.66Å; F318-A331 HydrophobicContact CE1-CB 4.42Å; F318-A331 HydrophobicContact CG-CB 3.93Å; F318-W334 HydrophobicContact CE1-CB 3.88Å; F318-W334 HydrophobicContact CE1-CD2 4.35Å; F318-W334 AromaticContact CE1-CG 3.86Å; F318-W334 HydrophobicContact CE1-CG 3.86Å; F318-W334 HydrophobicContact CZ-CB 4.22Å; F318-W334 AromaticContact CZ-CD1 3.69Å; F318-W334 HydrophobicContact CZ-CD2 4.14Å; F318-W334 AromaticContact CZ-CG 3.73Å; F318-W334 HydrophobicContact CZ-CG 3.73Å; F318-T389 HydrophobicContact CB-CG2 3.84Å; F318-I391 HydrophobicContact CD2-CD1 4.09Å; F318-I391 HydrophobicContact CD2-CG1 4.12Å; F318-I391 HydrophobicContact CE1-CD1 4.47Å; F318-I391 HydrophobicContact CE2-CB 4.44Å; F318-I391 HydrophobicContact CE2-CD1 3.52Å; F318-I391 HydrophobicContact CE2-CG1 3.82Å; F318-I391 HydrophobicContact CZ-CD1 3.74Å
319Y98.3Very high96.8Very high52 Ų5256.5 Ų56.520%0.20432%0.319CS..BIsolated β-bridgetrans-100135.9-176.1179.4-103000111.7N316 N321 E386 T389N316-Y319 PolarHBondContact O-N 3.14Å; Y319-N321 HydrophobicContact CE1-CB 3.81Å; Y319-E386 VanDerWaalsContact CD1-CA 3.46Å; Y319-E386 HydrophobicContact CD1-CB 3.45Å; Y319-E386 VanDerWaalsContact CD1-CB 3.45Å; Y319-E386 HydrophobicContact CD1-CG 3.81Å; Y319-E386 HydrophobicContact CE1-CB 3.72Å; Y319-E386 HydrophobicContact CE1-CG 4.44Å; Y319-E386 VanDerWaalsContact CG-CA 3.49Å; Y319-E386 HydrophobicContact CG-CB 4.05Å; Y319-E386 HydrophobicContact CG-CG 4.44Å; Y319-T389 WeakPolarHBondContact CD2-OG1 3.32Å
320D97.2Very high96.8Very high45 Ų4556 Ų5624%0.24132%0.32CS..  trans-141.5109.9170.8-171.8-13.2000110T322 D323 G326D320-T322 VanDerWaalsContact CG-OG1 3.3Å; D320-T322 PolarHBondContact O-N 3.48Å; D320-T322 WeakPolarHBondContact OD1-CB 3.47Å; D320-T322 PolarHBondContact OD1-N 3.22Å; D320-T322 PolarHBondContact OD1-OG1 3.44Å; D320-T322 PolarHBondContact OD2-OG1 3.24Å; D320-D323 HydrophobicContact CB-CB 4.38Å; D320-D323 PolarHBondContact O-N 3.12Å; D320-G326 PolarHBondContact N-O 2.83Å; D320-G326 CarbonylContact O-C 3.6Å; D320-G326 VanDerWaalsContact O-C 3.32Å; D320-G326 VanDerWaalsContact O-CA 3.24Å; D320-G326 WeakPolarHBondContact O-CA 3.47Å
321N95.5Very high96.8Very high114 Ų11452.2 Ų52.261%0.6131%0.306SS*.THydrogen-bonded Turntrans-73.8-4.1-18069.3-19.9000113.9Y319Y319-N321 HydrophobicContact CE1-CB 3.81Å
322T95.5Very high96.9Very high112 Ų11252.6 Ų52.669%0.68730%0.299SS*.THydrogen-bonded Turntrans-91.8-18.1175.2720000112.6D320D320-T322 VanDerWaalsContact CG-OG1 3.3Å; D320-T322 PolarHBondContact O-N 3.48Å; D320-T322 WeakPolarHBondContact OD1-CB 3.47Å; D320-T322 PolarHBondContact OD1-N 3.22Å; D320-T322 PolarHBondContact OD1-OG1 3.44Å; D320-T322 PolarHBondContact OD2-OG1 3.24Å
323D95.2Very high97Very high40 Ų4048.1 Ų48.121%0.21427%0.274CS..SBendtrans-81.8135.8174-167.2-62.8000110.5D320 D325 G326 L327 R332D320-D323 HydrophobicContact CB-CB 4.38Å; D320-D323 PolarHBondContact O-N 3.12Å; D323-D325 PolarHBondContact O-N 2.87Å; D323-D325 PolarHBondContact OD1-N 3.3Å; D323-G326 PolarHBondContact O-N 2.84Å; D323-L327 WeakPolarHBondContact CB-O 3.31Å; D323-R332 IonicContact OD1-NH2 3.46Å; D323-R332 PolarHBondContact OD1-NH2 3.31Å; D323-R332 IonicContact OD2-CZ 3.56Å; D323-R332 IonicContact OD2-NE 3.68Å; D323-R332 IonicContact OD2-NH2 3.66Å; D323-R332 PolarHBondContact OD2-NH2 2.67Å
324P92.8Very high97.1Very high137 Ų13744 Ų4489%0.8925%0.25SC*.THydrogen-bonded Turntrans-54.1-31.1178.9-28.635.6000116
325D94.4Very high97.2Very high58 Ų5841.8 Ų41.831%0.3123%0.226SC..THydrogen-bonded Turntrans-97.82.4177.67212.8000113.2D323 L327 R332 F372 N383D323-D325 PolarHBondContact O-N 2.87Å; D323-D325 PolarHBondContact OD1-N 3.3Å; D325-L327 VanDerWaalsContact C-N 3.26Å; D325-L327 PolarHBondContact O-N 3.35Å; D325-L327 WeakPolarHBondContact OD1-CA 3.38Å; D325-L327 WeakPolarHBondContact OD1-CB 2.7Å; D325-L327 PolarHBondContact OD1-N 3.39Å; D325-R332 IonicContact OD1-CZ 2.94Å; D325-R332 IonicContact OD1-NH1 3.1Å; D325-R332 IonicContact OD1-NH2 2.68Å; D325-R332 PolarHBondContact OD1-NH2 3.34Å; D325-R332 IonicContact OD2-CZ 3.98Å; D325-R332 IonicContact OD2-NH1 2.87Å; D325-R332 PolarHBondContact OD2-NH1 3.02Å; D325-R332 IonicContact OD2-NH2 3.6Å; D325-R332 PolarHBondContact OD2-NH2 3.11Å; D325-F372 HydrophobicContact CB-CZ 4.1Å; D325-N383 PolarHBondContact O-ND2 2.88Å
326G95.7Very high97.3Very high12 Ų1236.2 Ų36.212%0.12421%0.206CC..SBendtrans76.64179.800000114.9D320 D323 N383D320-G326 PolarHBondContact N-O 2.83Å; D320-G326 CarbonylContact O-C 3.6Å; D320-G326 VanDerWaalsContact O-C 3.32Å; D320-G326 VanDerWaalsContact O-CA 3.24Å; D320-G326 WeakPolarHBondContact O-CA 3.47Å; D323-G326 PolarHBondContact O-N 2.84Å; G326-N383 PolarHBondContact O-ND2 2.92Å
327L97.1Very high97.3Very high1 Ų136.1 Ų36.11%0.00521%0.206CC..BIsolated β-bridgetrans-100127.5-172.6-161.268.7000110.9D323 D325 A331 R332 I335 W370 F372 V381D323-L327 WeakPolarHBondContact CB-O 3.31Å; D325-L327 VanDerWaalsContact C-N 3.26Å; D325-L327 PolarHBondContact O-N 3.35Å; D325-L327 WeakPolarHBondContact OD1-CA 3.38Å; D325-L327 WeakPolarHBondContact OD1-CB 2.7Å; D325-L327 PolarHBondContact OD1-N 3.39Å; L327-A331 HydrophobicContact CD1-CB 3.47Å; L327-A331 VanDerWaalsContact CD1-CB 3.47Å; L327-A331 HydrophobicContact CD2-CB 4.38Å; L327-A331 HydrophobicContact CG-CB 3.62Å; L327-R332 HydrophobicContact CD2-CG 4.04Å; L327-R332 HydrophobicContact CG-CG 4.47Å; L327-I335 HydrophobicContact CD2-CD1 3.86Å; L327-W370 HydrophobicContact CD2-CH2 4.16Å; L327-W370 HydrophobicContact CD2-CZ3 4.2Å; L327-F372 HydrophobicContact CD2-CE1 4.33Å; L327-F372 HydrophobicContact CD2-CZ 4.05Å; L327-V381 HydrophobicContact CD1-CG1 4Å
328S97.8Very high97.3Very high9 Ų936.1 Ų36.16%0.06321%0.205CC..  trans-72.8159.9179.678.80000112.7A317 F318 T330 A331 R332A317-S328 WeakPolarHBondContact O-CB 3.27Å; A317-S328 PolarHBondContact O-OG 3.32Å; F318-S328 WeakPolarHBondContact CA-OG 3.49Å; F318-S328 PolarHBondContact O-N 2.99Å; F318-S328 PolarHBondContact O-OG 3.19Å; S328-T330 PolarHBondContact O-N 3.16Å; S328-T330 PolarHBondContact OG-N 3.1Å; S328-A331 WeakPolarHBondContact O-CB 3.1Å; S328-A331 PolarHBondContact O-N 3.21Å; S328-A331 VanDerWaalsContact O-N 3.07Å; S328-A331 PolarHBondContact OG-N 2.97Å; S328-R332 PolarHBondContact O-N 3.23Å
329V98Very high97.3Very high80 Ų8036.8 Ų36.849%0.48521%0.209SC..Hα-helixtrans-55.9-38.9169.3176.20000111.6A331 R332 H333V329-A331 VanDerWaalsContact C-N 3.34Å; V329-A331 PolarHBondContact O-N 3.01Å; V329-R332 PolarHBondContact O-N 3Å; V329-H333 VanDerWaalsContact CG1-CE1 3.43Å; V329-H333 WeakPolarHBondContact CG1-CE1 3.45Å; V329-H333 PolarHBondContact O-N 3.45Å
330T98.4Very high97.3Very high27 Ų2739 Ų3917%0.16622%0.221CC..Hα-helixtrans-60.2-42.8175.5-590000111.6L166 Y310 A317 S328 W334 L417L166-T330 HydrophobicContact CD1-CG2 4.19Å; Y310-T330 PolarHBondContact OH-OG1 3.37Å; A317-T330 HydrophobicContact CB-CG2 4.28Å; A317-T330 WeakPolarHBondContact O-CB 3.34Å; S328-T330 PolarHBondContact O-N 3.16Å; S328-T330 PolarHBondContact OG-N 3.1Å; T330-W334 WeakPolarHBondContact O-CB 3.25Å; T330-W334 PolarHBondContact O-N 3.06Å; T330-L417 HydrophobicContact CG2-CD2 3.89Å
331A98.5Very high97.4Very high0 Ų036.9 Ų36.90%021%0.21CC..Hα-helixtrans-65.6-42.3175.300000112.2F318 L327 S328 V329 W334 I335F318-A331 HydrophobicContact CB-CB 3.84Å; F318-A331 HydrophobicContact CD1-CB 3.66Å; F318-A331 HydrophobicContact CE1-CB 4.42Å; F318-A331 HydrophobicContact CG-CB 3.93Å; L327-A331 HydrophobicContact CD1-CB 3.47Å; L327-A331 VanDerWaalsContact CD1-CB 3.47Å; L327-A331 HydrophobicContact CD2-CB 4.38Å; L327-A331 HydrophobicContact CG-CB 3.62Å; S328-A331 WeakPolarHBondContact O-CB 3.1Å; S328-A331 PolarHBondContact O-N 3.21Å; S328-A331 VanDerWaalsContact O-N 3.07Å; S328-A331 PolarHBondContact OG-N 2.97Å; V329-A331 VanDerWaalsContact C-N 3.34Å; V329-A331 PolarHBondContact O-N 3.01Å; A331-W334 PolarHBondContact O-N 2.62Å; A331-I335 WeakPolarHBondContact O-CD1 3Å; A331-I335 VanDerWaalsContact O-CG1 3.23Å; A331-I335 WeakPolarHBondContact O-CG1 3.42Å; A331-I335 PolarHBondContact O-N 2.92Å
332R98.4Very high97.5Very high43 Ų4331.4 Ų31.416%0.16218%0.181CC..Hα-helixtrans-58.1-52.5176.8-65.8-173.8-164.7-67.9-2.2110.9D323 D325 L327 S328 V329 W334 I335 G336 P423D323-R332 IonicContact OD1-NH2 3.46Å; D323-R332 PolarHBondContact OD1-NH2 3.31Å; D323-R332 IonicContact OD2-CZ 3.56Å; D323-R332 IonicContact OD2-NE 3.68Å; D323-R332 IonicContact OD2-NH2 3.66Å; D323-R332 PolarHBondContact OD2-NH2 2.67Å; D325-R332 IonicContact OD1-CZ 2.94Å; D325-R332 IonicContact OD1-NH1 3.1Å; D325-R332 IonicContact OD1-NH2 2.68Å; D325-R332 PolarHBondContact OD1-NH2 3.34Å; D325-R332 IonicContact OD2-CZ 3.98Å; D325-R332 IonicContact OD2-NH1 2.87Å; D325-R332 PolarHBondContact OD2-NH1 3.02Å; D325-R332 IonicContact OD2-NH2 3.6Å; D325-R332 PolarHBondContact OD2-NH2 3.11Å; L327-R332 HydrophobicContact CD2-CG 4.04Å; L327-R332 HydrophobicContact CG-CG 4.47Å; S328-R332 PolarHBondContact O-N 3.23Å; V329-R332 PolarHBondContact O-N 3Å; R332-W334 VanDerWaalsContact C-N 3.32Å; R332-W334 PolarHBondContact O-N 2.9Å; R332-I335 PolarHBondContact O-N 3.42Å; R332-I335 VanDerWaalsContact O-N 3.15Å; R332-G336 PolarHBondContact O-N 2.64Å; R332-P423 HydrophobicContact CB-CG 4.4Å; R332-P423 WeakPolarHBondContact O-CD 3.35Å
333H98.8Very high97.6Very high22 Ų2226.4 Ų26.410%0.10215%0.15CC..Hα-helixtrans-57.4-42.9176-69.6163.2000113.2V329 G336 G337 G416 L417 Q420 L421 E422V329-H333 VanDerWaalsContact CG1-CE1 3.43Å; V329-H333 WeakPolarHBondContact CG1-CE1 3.45Å; V329-H333 PolarHBondContact O-N 3.45Å; H333-G336 PolarHBondContact O-N 3.48Å; H333-G337 PolarHBondContact O-N 2.86Å; H333-G416 CarbonylContact O-C 3.58Å; H333-G416 WeakPolarHBondContact O-CA 3.48Å; H333-L417 HydrophobicContact CB-CD2 3.9Å; H333-Q420 VanDerWaalsContact CD2-C 3.41Å; H333-Q420 WeakPolarHBondContact NE2-CB 3.12Å; H333-L421 VanDerWaalsContact CA-O 3.29Å; H333-L421 WeakPolarHBondContact CA-O 3.36Å; H333-E422 IonicContact CD2-OE1 3.08Å; H333-E422 IonicContact NE2-OE1 3.78Å; H333-E422 PolarHBondContact NE2-OE1 2.62Å
334W98.8Very high97.7Very high0 Ų024.6 Ų24.60%014%0.14CC..Hα-helixtrans-60.4-47.5176-171-86.9000111.9L160 H306 L308 F318 T330 A331 R332 G336 G337 L338 T409 L410 G413 L417L160-W334 HydrophobicContact CD1-CH2 4.44Å; L160-W334 HydrophobicContact CD1-CZ3 4.05Å; H306-W334 AromaticContact CD2-NE1 3.73Å; H306-W334 AromaticContact NE2-CD1 3.79Å; H306-W334 AromaticContact NE2-CE2 3.96Å; H306-W334 AromaticContact NE2-NE1 3.05Å; H306-W334 PolarHBondContact NE2-NE1 3.37Å; L308-W334 HydrophobicContact CD1-CD2 3.8Å; L308-W334 HydrophobicContact CD1-CE3 3.44Å; L308-W334 VanDerWaalsContact CD1-CE3 3.44Å; L308-W334 HydrophobicContact CD1-CH2 4.02Å; L308-W334 HydrophobicContact CD1-CZ2 4.35Å; L308-W334 HydrophobicContact CD1-CZ3 3.56Å; L308-W334 HydrophobicContact CD2-CH2 4.34Å; F318-W334 HydrophobicContact CE1-CB 3.88Å; F318-W334 HydrophobicContact CE1-CD2 4.35Å; F318-W334 AromaticContact CE1-CG 3.86Å; F318-W334 HydrophobicContact CE1-CG 3.86Å; F318-W334 HydrophobicContact CZ-CB 4.22Å; F318-W334 AromaticContact CZ-CD1 3.69Å; F318-W334 HydrophobicContact CZ-CD2 4.14Å; F318-W334 AromaticContact CZ-CG 3.73Å; F318-W334 HydrophobicContact CZ-CG 3.73Å; T330-W334 WeakPolarHBondContact O-CB 3.25Å; T330-W334 PolarHBondContact O-N 3.06Å; A331-W334 PolarHBondContact O-N 2.62Å; R332-W334 VanDerWaalsContact C-N 3.32Å; R332-W334 PolarHBondContact O-N 2.9Å; W334-G336 VanDerWaalsContact C-N 3.34Å; W334-G337 PolarHBondContact O-N 3.4Å; W334-L338 WeakPolarHBondContact O-CG 3.49Å; W334-L338 PolarHBondContact O-N 3.12Å; W334-T409 HydrophobicContact CZ2-CG2 4.23Å; W334-T409 WeakPolarHBondContact CZ2-O 3.46Å; W334-L410 HydrophobicContact CH2-CD2 4.01Å; W334-G413 VanDerWaalsContact CD2-CA 3.46Å; W334-L417 HydrophobicContact CE3-CD1 3.81Å; W334-L417 HydrophobicContact CE3-CG 4.06Å; W334-L417 HydrophobicContact CZ3-CD1 3.98Å
335I98.7Very high98Very high0 Ų018 Ų180%010%0.098CC..Hα-helixtrans-63.8-40.6177.5-64.7160.2000110.4L327 A331 R332 G337 L338 I339 W370 V381 I391 P423L327-I335 HydrophobicContact CD2-CD1 3.86Å; A331-I335 WeakPolarHBondContact O-CD1 3Å; A331-I335 VanDerWaalsContact O-CG1 3.23Å; A331-I335 WeakPolarHBondContact O-CG1 3.42Å; A331-I335 PolarHBondContact O-N 2.92Å; R332-I335 PolarHBondContact O-N 3.42Å; R332-I335 VanDerWaalsContact O-N 3.15Å; I335-G337 VanDerWaalsContact C-N 3.31Å; I335-G337 PolarHBondContact O-N 3.15Å; I335-L338 WeakPolarHBondContact O-CB 3.47Å; I335-L338 PolarHBondContact O-N 3.48Å; I335-L338 VanDerWaalsContact O-N 3.14Å; I335-I339 HydrophobicContact CG2-CG1 4.04Å; I335-I339 WeakPolarHBondContact O-CB 3.33Å; I335-I339 VanDerWaalsContact O-CG1 3.3Å; I335-I339 WeakPolarHBondContact O-CG1 3.34Å; I335-I339 PolarHBondContact O-N 2.96Å; I335-W370 HydrophobicContact CD1-CE3 4.17Å; I335-W370 HydrophobicContact CD1-CZ3 4.08Å; I335-W370 HydrophobicContact CG2-CB 4.22Å; I335-W370 HydrophobicContact CG2-CD2 3.76Å; I335-W370 HydrophobicContact CG2-CE3 4.19Å; I335-W370 HydrophobicContact CG2-CG 3.77Å; I335-V381 HydrophobicContact CD1-CG2 3.64Å; I335-V381 HydrophobicContact CG1-CG2 4.44Å; I335-I391 HydrophobicContact CD1-CD1 4.16Å; I335-I391 HydrophobicContact CG1-CD1 3.59Å; I335-I391 HydrophobicContact CG1-CG1 4.48Å; I335-P423 HydrophobicContact CB-CB 4.26Å; I335-P423 HydrophobicContact CB-CG 4.37Å; I335-P423 HydrophobicContact CG2-CB 3.74Å; I335-P423 HydrophobicContact CG2-CG 4.25Å
336G98.7Very high98.1Very high4 Ų415.3 Ų15.34%0.0418%0.083CC..Hα-helixtrans-56.9-44.9175.200000112.1R332 H333 W334 I339 E340 L421R332-G336 PolarHBondContact O-N 2.64Å; H333-G336 PolarHBondContact O-N 3.48Å; W334-G336 VanDerWaalsContact C-N 3.34Å; G336-I339 PolarHBondContact O-N 3.46Å; G336-E340 WeakPolarHBondContact O-CB 3.48Å; G336-E340 PolarHBondContact O-N 2.93Å; G336-L421 WeakPolarHBondContact CA-O 3.5Å
337G98.8Very high98.2Very high0 Ų014.7 Ų14.70%08%0.077CC..Hα-helixtrans-60.5-44.9172.200000113.7H333 W334 I335 H341 A412H333-G337 PolarHBondContact O-N 2.86Å; W334-G337 PolarHBondContact O-N 3.4Å; I335-G337 VanDerWaalsContact C-N 3.31Å; I335-G337 PolarHBondContact O-N 3.15Å; G337-H341 PolarHBondContact O-CD2 2.88Å; G337-H341 PolarHBondContact O-N 2.78Å; G337-A412 CarbonylContact C-O 3.35Å; G337-A412 VanDerWaalsContact CA-O 3.26Å; G337-A412 WeakPolarHBondContact CA-O 3.24Å
338L98.7Very high98.3Very high1 Ų114.7 Ų14.71%0.0058%0.077CC..Hα-helixtrans-59-50.7175-63.2179.3000111.2W334 I335 E340 H341 L342 M345 V379 I391 T409 A412W334-L338 WeakPolarHBondContact O-CG 3.49Å; W334-L338 PolarHBondContact O-N 3.12Å; I335-L338 WeakPolarHBondContact O-CB 3.47Å; I335-L338 PolarHBondContact O-N 3.48Å; I335-L338 VanDerWaalsContact O-N 3.14Å; L338-E340 PolarHBondContact O-N 3.33Å; L338-H341 PolarHBondContact O-N 3.48Å; L338-L342 VanDerWaalsContact O-CG 3.25Å; L338-L342 WeakPolarHBondContact O-CG 3.47Å; L338-L342 PolarHBondContact O-N 2.92Å; L338-M345 HydrophobicContact CD2-CE 4.1Å; L338-M345 HydrophobicContact CD2-SD 4.2Å; L338-V379 HydrophobicContact CB-CG2 4.35Å; L338-V379 HydrophobicContact CD1-CG1 4.16Å; L338-V379 HydrophobicContact CD1-CG2 4.45Å; L338-I391 HydrophobicContact CD1-CG2 4.13Å; L338-T409 HydrophobicContact CD2-CG2 4.01Å; L338-A412 HydrophobicContact CD2-CB 3.99Å
339I98.2Very high98.3Very high15 Ų1514.3 Ų14.38%0.0777%0.074CC..Hα-helixtrans-60.9-44.6-177.4-69.6-61000112.1I335 G336 H341 L342 V368 W370 V379 P424I335-I339 HydrophobicContact CG2-CG1 4.04Å; I335-I339 WeakPolarHBondContact O-CB 3.33Å; I335-I339 VanDerWaalsContact O-CG1 3.3Å; I335-I339 WeakPolarHBondContact O-CG1 3.34Å; I335-I339 PolarHBondContact O-N 2.96Å; G336-I339 PolarHBondContact O-N 3.46Å; I339-H341 VanDerWaalsContact C-N 3.31Å; I339-H341 PolarHBondContact O-N 2.85Å; I339-L342 HydrophobicContact CD1-CD1 3.77Å; I339-V368 HydrophobicContact CG2-CG1 3.82Å; I339-V368 WeakPolarHBondContact O-CG1 3.42Å; I339-W370 HydrophobicContact CD1-CB 4.05Å; I339-W370 HydrophobicContact CD1-CG 4.34Å; I339-V379 HydrophobicContact CD1-CG2 4.46Å; I339-P424 HydrophobicContact CG2-CG 4.06Å
340E98.4Very high98.2Very high99 Ų9910.5 Ų10.546%0.4635%0.051SC..Hα-helixtrans-56.3-47.2176.9176.473.2163.200111.4G336 L338 R419 L421G336-E340 WeakPolarHBondContact O-CB 3.48Å; G336-E340 PolarHBondContact O-N 2.93Å; L338-E340 PolarHBondContact O-N 3.33Å; E340-R419 IonicContact OE1-NH1 2.99Å; E340-R419 IonicContact OE1-NH2 2.88Å; E340-L421 HydrophobicContact CB-CD1 4.04Å; E340-L421 HydrophobicContact CG-CD1 4.19Å
341H98.7Very high98.1Very high0 Ų09.4 Ų9.40%05%0.045CC..Hα-helixtrans-93.9-3.6-171.4-62.6-54.6000114.2G337 L338 I339 P343 A344 M345 A412 D415 D456 F459G337-H341 PolarHBondContact O-CD2 2.88Å; G337-H341 PolarHBondContact O-N 2.78Å; L338-H341 PolarHBondContact O-N 3.48Å; I339-H341 VanDerWaalsContact C-N 3.31Å; I339-H341 PolarHBondContact O-N 2.85Å; H341-P343 VanDerWaalsContact C-CD 3.48Å; H341-P343 VanDerWaalsContact C-N 3.35Å; H341-A344 PolarHBondContact O-N 3.37Å; H341-M345 HydrophobicContact CB-CG 4.21Å; H341-M345 HydrophobicContact CB-SD 4.42Å; H341-M345 WeakPolarHBondContact O-CG 3.44Å; H341-M345 PolarHBondContact O-N 2.87Å; H341-A412 HydrophobicContact CB-CB 3.8Å; H341-D415 IonicContact CD2-OD2 2.87Å; H341-D415 IonicContact CE1-OD2 3.34Å; H341-D415 WeakPolarHBondContact NE2-CB 3.25Å; H341-D415 IonicContact NE2-OD2 3.88Å; H341-D415 PolarHBondContact NE2-OD2 3.08Å; H341-D456 IonicContact CE1-OD1 3.38Å; H341-D456 PolarHBondContact CE1-OD1 3.2Å; H341-D456 VanDerWaalsContact CE1-OD1 3.31Å; H341-D456 IonicContact CE1-OD2 2.84Å; H341-D456 IonicContact CG-OD2 2.92Å; H341-D456 VanDerWaalsContact ND1-CG 3.31Å; H341-D456 IonicContact ND1-OD1 2.71Å; H341-D456 PolarHBondContact ND1-OD1 3.14Å; H341-D456 IonicContact ND1-OD2 2.83Å; H341-D456 PolarHBondContact ND1-OD2 2.76Å; H341-F459 HydrophobicContact CB-CD2 3.95Å; H341-F459 HydrophobicContact CB-CE2 4.35Å; H341-F459 HydrophobicContact CB-CG 4.29Å; H341-F459 AromaticContact CG-CD2 3.92Å
342L97.7Very high97.9Very high0 Ų09.6 Ų9.60%05%0.046CC..Hα-helixtrans-47.4-46.2-176.5-95.6-175.6000114L338 I339 A344 M345 L346 V368 A378 V379 I395 L442L338-L342 VanDerWaalsContact O-CG 3.25Å; L338-L342 WeakPolarHBondContact O-CG 3.47Å; L338-L342 PolarHBondContact O-N 2.92Å; I339-L342 HydrophobicContact CD1-CD1 3.77Å; L342-A344 PolarHBondContact O-N 3Å; L342-M345 PolarHBondContact O-N 2.95Å; L342-L346 PolarHBondContact O-N 3.17Å; L342-L346 VanDerWaalsContact O-N 3.12Å; L342-V368 HydrophobicContact CB-CG1 4.26Å; L342-V368 HydrophobicContact CB-CG2 4.3Å; L342-V368 HydrophobicContact CD1-CB 4.37Å; L342-V368 HydrophobicContact CD1-CG1 4.07Å; L342-A378 HydrophobicContact CD1-CB 3.7Å; L342-A378 HydrophobicContact CD2-CB 4.36Å; L342-V379 HydrophobicContact CD1-CG2 4.26Å; L342-V379 HydrophobicContact CD2-CG2 4.26Å; L342-I395 HydrophobicContact CD2-CD1 3.74Å; L342-I395 HydrophobicContact CD2-CG2 3.89Å; L342-L442 HydrophobicContact CB-CD2 4.15Å
343P97.4Very high97.8Very high7 Ų77.8 Ų7.85%0.0454%0.039CC..Hα-helixtrans-59.2-42.1176.7-26.536.7000113.9H341 L346 V368 K440 P443H341-P343 VanDerWaalsContact C-CD 3.48Å; H341-P343 VanDerWaalsContact C-N 3.35Å; P343-L346 WeakPolarHBondContact O-CB 3.34Å; P343-V368 HydrophobicContact CG-CG2 3.87Å; P343-K440 HydrophobicContact CG-CD 4.47Å; P343-P443 HydrophobicContact CB-CG 4.05Å
344A98.4Very high97.6Very high1 Ų16.7 Ų6.71%0.0084%0.035CC..Hα-helixtrans-72.4-40.9177.700000111.9H341 L342 L346 A347 L453 D456 F459H341-A344 PolarHBondContact O-N 3.37Å; L342-A344 PolarHBondContact O-N 3Å; A344-L346 PolarHBondContact O-N 3.27Å; A344-A347 WeakPolarHBondContact O-CB 3.44Å; A344-A347 PolarHBondContact O-N 3.22Å; A344-L453 HydrophobicContact CB-CB 4.38Å; A344-L453 HydrophobicContact CB-CD1 4.22Å; A344-D456 HydrophobicContact CB-CB 3.8Å; A344-F459 HydrophobicContact CB-CD1 3.7Å; A344-F459 HydrophobicContact CB-CE1 4.06Å; A344-F459 HydrophobicContact CB-CG 4.49Å
345M98.5Very high97.4Very high0 Ų06.7 Ų6.70%04%0.035CC..Hα-helixtrans-57.8-30.5175.6-69.2178.970.200112.1L338 H341 L342 A347 I348 C349 I395 A408 A412 F459L338-M345 HydrophobicContact CD2-CE 4.1Å; L338-M345 HydrophobicContact CD2-SD 4.2Å; H341-M345 HydrophobicContact CB-CG 4.21Å; H341-M345 HydrophobicContact CB-SD 4.42Å; H341-M345 WeakPolarHBondContact O-CG 3.44Å; H341-M345 PolarHBondContact O-N 2.87Å; L342-M345 PolarHBondContact O-N 2.95Å; M345-A347 VanDerWaalsContact C-N 3.27Å; M345-A347 PolarHBondContact O-N 2.99Å; M345-I348 PolarHBondContact O-N 2.97Å; M345-C349 WeakPolarHBondContact O-CB 3.35Å; M345-C349 PolarHBondContact O-N 2.65Å; M345-I395 HydrophobicContact CB-CD1 3.77Å; M345-I395 HydrophobicContact CE-CD1 4.43Å; M345-A408 HydrophobicContact CE-CB 4.1Å; M345-A408 HydrophobicContact CG-CB 4.28Å; M345-A412 HydrophobicContact CE-CB 4.48Å; M345-A412 HydrophobicContact CG-CB 4.34Å; M345-A412 HydrophobicContact SD-CB 3.64Å; M345-F459 HydrophobicContact CB-CZ 4.41Å; M345-F459 HydrophobicContact CG-CE1 4.24Å; M345-F459 HydrophobicContact CG-CE2 3.91Å; M345-F459 HydrophobicContact CG-CZ 3.57Å
346L96.9Very high97.2Very high0 Ų07.2 Ų7.20%04%0.036CC..Hα-helixtrans-60.4-37.1-178.9-162.165.1000112.6L342 P343 A344 I348 S350 Y356 L359 I395 L442 P443 A449L342-L346 PolarHBondContact O-N 3.17Å; L342-L346 VanDerWaalsContact O-N 3.12Å; P343-L346 WeakPolarHBondContact O-CB 3.34Å; A344-L346 PolarHBondContact O-N 3.27Å; L346-I348 PolarHBondContact O-N 2.85Å; L346-S350 CarbonylContact O-C 3.23Å; L346-S350 WeakPolarHBondContact O-CA 3.36Å; L346-S350 WeakPolarHBondContact O-CB 3.21Å; L346-S350 PolarHBondContact O-N 3.1Å; L346-Y356 HydrophobicContact CD2-CD1 4.35Å; L346-Y356 HydrophobicContact CD2-CE1 3.6Å; L346-Y356 HydrophobicContact CG-CE1 3.91Å; L346-Y356 PolarHBondContact O-OH 2.96Å; L346-L359 HydrophobicContact CD1-CD1 3.64Å; L346-L359 HydrophobicContact CD1-CD2 4.44Å; L346-L359 HydrophobicContact CD2-CD1 3.6Å; L346-L359 HydrophobicContact CG-CD1 3.95Å; L346-I395 HydrophobicContact CD1-CB 4.01Å; L346-L442 HydrophobicContact CD2-CB 4.22Å; L346-P443 HydrophobicContact CD2-CB 3.96Å; L346-P443 HydrophobicContact CD2-CG 4.09Å; L346-P443 WeakPolarHBondContact CD2-O 3.47Å; L346-A449 HydrophobicContact CB-CB 4.32Å
347A97.6Very high96.9Very high0 Ų07.2 Ų7.20%04%0.035CC..Hα-helixtrans-58.4-34.4175.600000111.7A344 M345 P351 A449 L450 L453 Y471A344-A347 WeakPolarHBondContact O-CB 3.44Å; A344-A347 PolarHBondContact O-N 3.22Å; M345-A347 VanDerWaalsContact C-N 3.27Å; M345-A347 PolarHBondContact O-N 2.99Å; A347-P351 WeakPolarHBondContact O-CA 3.1Å; A347-A449 HydrophobicContact CB-CB 3.95Å; A347-L450 HydrophobicContact CB-CD2 4.17Å; A347-L450 HydrophobicContact CB-CG 4.45Å; A347-L453 HydrophobicContact CB-CB 4Å; A347-L453 HydrophobicContact CB-CD2 3.94Å; A347-Y471 PolarHBondContact O-OH 2.93Å
348I98.1Very high96.5Very high1 Ų17.8 Ų7.81%0.0054%0.038CC..Hα-helixtrans-89-43.6-174.8-61.7-177.8000111.7M345 L346 H404 A408 L453 F459 L463 Y471M345-I348 PolarHBondContact O-N 2.97Å; L346-I348 PolarHBondContact O-N 2.85Å; I348-H404 HydrophobicContact CG2-CB 3.55Å; I348-H404 WeakPolarHBondContact CG2-O 3.43Å; I348-A408 HydrophobicContact CB-CB 4.3Å; I348-A408 HydrophobicContact CG2-CB 3.97Å; I348-L453 HydrophobicContact CD1-CD1 4.02Å; I348-L453 HydrophobicContact CD1-CD2 4.38Å; I348-L453 HydrophobicContact CG1-CD1 4.47Å; I348-L453 HydrophobicContact CG1-CD2 4.14Å; I348-F459 HydrophobicContact CD1-CE1 3.79Å; I348-F459 HydrophobicContact CD1-CZ 4.15Å; I348-L463 HydrophobicContact CD1-CD1 3.36Å; I348-L463 HydrophobicContact CD1-CD2 4.25Å; I348-L463 HydrophobicContact CD1-CG 4.46Å; I348-Y471 WeakPolarHBondContact CA-OH 3.42Å; I348-Y471 HydrophobicContact CG1-CE1 3.99Å
349C97.9Very high95.6Very high0 Ų08 Ų80%04%0.038CC..Hα-helixtrans-84.7-22.1-175.7-65.70000113.1M345 I395 P396 S397 S400M345-C349 WeakPolarHBondContact O-CB 3.35Å; M345-C349 PolarHBondContact O-N 2.65Å; C349-I395 HydrophobicContact CB-CD1 4.01Å; C349-I395 HydrophobicContact CB-CG1 3.72Å; C349-P396 HydrophobicContact CB-CB 4.07Å; C349-P396 HydrophobicContact CB-CG 4.21Å; C349-P396 VanDerWaalsContact O-CA 3.32Å; C349-P396 WeakPolarHBondContact O-CA 3.21Å; C349-S397 PolarHBondContact O-N 3.21Å; C349-S397 PolarHBondContact O-OG 3.32Å; C349-S400 VanDerWaalsContact O-CB 3.29Å; C349-S400 WeakPolarHBondContact O-CB 3.3Å
350S96.6Very high94.4Very high0 Ų010.7 Ų10.70%05%0.053CC..SBendtrans-12671.3174.1-83.70000109.1L346 T352 Y356 I395L346-S350 CarbonylContact O-C 3.23Å; L346-S350 WeakPolarHBondContact O-CA 3.36Å; L346-S350 WeakPolarHBondContact O-CB 3.21Å; L346-S350 PolarHBondContact O-N 3.1Å; S350-T352 VanDerWaalsContact C-N 3.32Å; S350-T352 PolarHBondContact O-N 2.77Å; S350-Y356 WeakPolarHBondContact O-CE2 3.26Å; S350-Y356 PolarHBondContact O-OH 3.09Å; S350-Y356 VanDerWaalsContact O-OH 3.13Å; S350-I395 PolarHBondContact OG-O 3.49Å
351P95.9Very high93.1Very high4 Ų410.1 Ų10.13%0.0265%0.049CC..  trans-86.95.9-15637-40.7000115.3A347 Y471 K475A347-P351 WeakPolarHBondContact O-CA 3.1Å; P351-Y471 VanDerWaalsContact CB-OH 3.22Å; P351-Y471 WeakPolarHBondContact CB-OH 3.24Å; P351-K475 WeakPolarHBondContact O-CE 3.31Å; P351-K475 PolarHBondContact O-NZ 2.68Å; P351-K475 VanDerWaalsContact O-NZ 3.15Å
352T95.6Very high91.5Very high5 Ų517.8 Ų17.83%0.0318%0.083CC..SBendtrans-122.1155.6-17775.90000110.6S350 N354 C355 Y356 A399 Y503 T507S350-T352 VanDerWaalsContact C-N 3.32Å; S350-T352 PolarHBondContact O-N 2.77Å; T352-N354 PolarHBondContact O-N 2.93Å; T352-N354 PolarHBondContact OG1-N 2.86Å; T352-C355 WeakPolarHBondContact O-CB 3.35Å; T352-C355 PolarHBondContact O-N 3.08Å; T352-C355 VanDerWaalsContact O-N 3.1Å; T352-C355 PolarHBondContact OG1-N 3.04Å; T352-C355 VanDerWaalsContact OG1-N 3.16Å; T352-C355 PolarHBondContact OG1-SG 3.34Å; T352-Y356 WeakPolarHBondContact O-CD2 3.44Å; T352-Y356 WeakPolarHBondContact O-CE2 3.47Å; T352-A399 HydrophobicContact CG2-CB 4.05Å; T352-Y503 HydrophobicContact CG2-CD1 3.74Å; T352-Y503 HydrophobicContact CG2-CE1 3.62Å; T352-Y503 HydrophobicContact CG2-CG 4.37Å; T352-T507 HydrophobicContact CG2-CG2 4.08Å
353T95Very high90.1Very high4 Ų423.1 Ų23.13%0.02511%0.106CC..G310 helixtrans-56.3-35.1172.8-64.20000111.3C355 Y356 L483 I488 Y503T353-C355 VanDerWaalsContact C-N 3.35Å; T353-C355 PolarHBondContact O-N 3.32Å; T353-Y356 PolarHBondContact O-N 2.86Å; T353-L483 HydrophobicContact CG2-CB 4.37Å; T353-I488 HydrophobicContact CG2-CG2 3.51Å; T353-Y503 PolarHBondContact N-OH 3.34Å; T353-Y503 VanDerWaalsContact N-OH 3.16Å
354N94.8Very high89.1Confident0 Ų023.5 Ų23.50%011%0.11CC..G310 helixtrans-68-29.6179.6-177.2-107.8000113.7M290 T291 K292 T352 Y356 R357 E499 Y503M290-N354 HydrophobicContact CE-CB 4.08Å; M290-N354 WeakPolarHBondContact CE-ND2 3.38Å; M290-N354 VanDerWaalsContact CG-OD1 3.27Å; M290-N354 WeakPolarHBondContact CG-OD1 3.32Å; T291-N354 PolarHBondContact N-OD1 2.85Å; K292-N354 PolarHBondContact N-OD1 2.85Å; K292-N354 PolarHBondContact O-ND2 2.8Å; T352-N354 PolarHBondContact O-N 2.93Å; T352-N354 PolarHBondContact OG1-N 2.86Å; N354-Y356 PolarHBondContact O-N 3.11Å; N354-R357 WeakPolarHBondContact O-CB 3.46Å; N354-R357 PolarHBondContact O-N 3.23Å; N354-E499 VanDerWaalsContact CA-OE2 3.24Å; N354-E499 WeakPolarHBondContact CA-OE2 3.46Å; N354-E499 HydrophobicContact CB-CB 4.48Å; N354-E499 VanDerWaalsContact CB-OE2 3.27Å; N354-E499 WeakPolarHBondContact CB-OE2 3.37Å; N354-E499 PolarHBondContact ND2-OE2 3.2Å; N354-Y503 HydrophobicContact CB-CD2 3.66Å; N354-Y503 HydrophobicContact CB-CE2 3.86Å
355C95.1Very high88.3Confident0 Ų023.6 Ų23.60%011%0.11CC..G310 helixtrans-58.2-35.2179.5-64.20000112.4T291 T352 T353 R357 R358 S397T291-C355 PolarHBondContact OG1-SG 2.89Å; T352-C355 WeakPolarHBondContact O-CB 3.35Å; T352-C355 PolarHBondContact O-N 3.08Å; T352-C355 VanDerWaalsContact O-N 3.1Å; T352-C355 PolarHBondContact OG1-N 3.04Å; T352-C355 VanDerWaalsContact OG1-N 3.16Å; T352-C355 PolarHBondContact OG1-SG 3.34Å; T353-C355 VanDerWaalsContact C-N 3.35Å; T353-C355 PolarHBondContact O-N 3.32Å; C355-R357 PolarHBondContact O-N 3.46Å; C355-R358 VanDerWaalsContact O-CB 3.29Å; C355-R358 WeakPolarHBondContact O-CB 3.14Å; C355-R358 PolarHBondContact O-N 3.3Å; C355-S397 PolarHBondContact SG-OG 2.91Å
356Y94Very high87.8Confident10 Ų1024.2 Ų24.24%0.03912%0.117CC..G310 helixtrans-73.7-8.1-177.7-61.5-94.3000113L346 S350 T352 T353 N354 R358 L359 S445 L446 A449L346-Y356 HydrophobicContact CD2-CD1 4.35Å; L346-Y356 HydrophobicContact CD2-CE1 3.6Å; L346-Y356 HydrophobicContact CG-CE1 3.91Å; L346-Y356 PolarHBondContact O-OH 2.96Å; S350-Y356 WeakPolarHBondContact O-CE2 3.26Å; S350-Y356 PolarHBondContact O-OH 3.09Å; S350-Y356 VanDerWaalsContact O-OH 3.13Å; T352-Y356 WeakPolarHBondContact O-CD2 3.44Å; T352-Y356 WeakPolarHBondContact O-CE2 3.47Å; T353-Y356 PolarHBondContact O-N 2.86Å; N354-Y356 PolarHBondContact O-N 3.11Å; Y356-R358 VanDerWaalsContact C-N 3.26Å; Y356-L359 HydrophobicContact CD1-CD1 3.83Å; Y356-L359 HydrophobicContact CE1-CD1 4.13Å; Y356-L359 HydrophobicContact CG-CD1 4.49Å; Y356-S445 VanDerWaalsContact CE1-C 3.41Å; Y356-S445 VanDerWaalsContact CE1-O 3.25Å; Y356-S445 WeakPolarHBondContact CE1-O 3.47Å; Y356-L446 HydrophobicContact CD2-CB 4Å; Y356-L446 VanDerWaalsContact CE2-CA 3.41Å; Y356-L446 HydrophobicContact CE2-CB 3.58Å; Y356-L446 HydrophobicContact CE2-CD1 3.96Å; Y356-L446 HydrophobicContact CE2-CG 4.36Å; Y356-A449 HydrophobicContact CE1-CB 3.85Å; Y356-A449 WeakPolarHBondContact OH-CB 3.48Å
357R92.2Very high87.6Confident5 Ų524.3 Ų24.32%0.01912%0.118CC..G310 helixtrans-72.3-18.6166-64-176.7170.8-80.4-2.9113K292 N354 C355 K361 I488 D490 N491 E499K292-R357 HydrophobicContact CB-CB 3.98Å; K292-R357 HydrophobicContact CG-CB 3.99Å; N354-R357 WeakPolarHBondContact O-CB 3.46Å; N354-R357 PolarHBondContact O-N 3.23Å; C355-R357 PolarHBondContact O-N 3.46Å; R357-K361 VanDerWaalsContact O-CD 3.23Å; R357-K361 WeakPolarHBondContact O-CD 3.4Å; R357-K361 WeakPolarHBondContact O-CE 3.38Å; R357-K361 PolarHBondContact O-NZ 2.73Å; R357-I488 HydrophobicContact CG-CB 4.11Å; R357-I488 HydrophobicContact CG-CD1 4.27Å; R357-I488 VanDerWaalsContact CZ-O 3.23Å; R357-I488 PolarHBondContact NH1-O 3.36Å; R357-I488 PolarHBondContact NH2-O 3.11Å; R357-D490 IonicContact NH2-OD1 2.75Å; R357-N491 PolarHBondContact NH1-OD1 2.52Å; R357-E499 WeakPolarHBondContact CD-OE2 3.38Å; R357-E499 IonicContact CZ-OE1 2.62Å; R357-E499 IonicContact CZ-OE2 2.96Å; R357-E499 IonicContact NE-OE1 3.82Å; R357-E499 PolarHBondContact NE-OE1 2.8Å; R357-E499 IonicContact NE-OE2 3.29Å; R357-E499 PolarHBondContact NE-OE2 3.31Å; R357-E499 IonicContact NH2-OE1 3.72Å; R357-E499 PolarHBondContact NH2-OE1 3.22Å
358R89.9Confident87.4Confident12 Ų1224.9 Ų24.95%0.04512%0.121CC..THydrogen-bonded Turntrans-82.9-43.7177.1177.9-178.6101.2-160.28.1112T291 C355 Y356 A364 R394 I395 P396 S397T291-R358 HydrophobicContact CG2-CB 3.57Å; T291-R358 HydrophobicContact CG2-CG 4.25Å; C355-R358 VanDerWaalsContact O-CB 3.29Å; C355-R358 WeakPolarHBondContact O-CB 3.14Å; C355-R358 PolarHBondContact O-N 3.3Å; Y356-R358 VanDerWaalsContact C-N 3.26Å; R358-A364 HydrophobicContact CG-CB 3.72Å; R358-A364 WeakPolarHBondContact O-CB 3.02Å; R358-R394 PolarHBondContact NH2-O 2.94Å; R358-I395 VanDerWaalsContact NH2-C 3.28Å; R358-I395 PolarHBondContact NH2-O 2.91Å; R358-P396 VanDerWaalsContact CZ-O 3.29Å; R358-P396 PolarHBondContact NH1-O 3.3Å; R358-P396 PolarHBondContact NH2-O 3.4Å; R358-S397 VanDerWaalsContact NH1-CB 3.27Å
359L81.8Confident87.3Confident4 Ų425 Ų252%0.02112%0.122CC..THydrogen-bonded Turntrans-68158.4-171.5-54.6174.1000111.5L346 Y356 K361 P365L346-L359 HydrophobicContact CD1-CD1 3.64Å; L346-L359 HydrophobicContact CD1-CD2 4.44Å; L346-L359 HydrophobicContact CD2-CD1 3.6Å; L346-L359 HydrophobicContact CG-CD1 3.95Å; Y356-L359 HydrophobicContact CD1-CD1 3.83Å; Y356-L359 HydrophobicContact CE1-CD1 4.13Å; Y356-L359 HydrophobicContact CG-CD1 4.49Å; L359-K361 PolarHBondContact O-N 3.22Å; L359-P365 HydrophobicContact CD2-CG 4.28Å
360N71.5Confident87.3Confident73 Ų7325.2 Ų25.239%0.3912%0.122SC..THydrogen-bonded Turntrans58.524-177.7-54.9-58.2000114.2P365 G366N360-P365 PolarHBondContact N-O 2.86Å; N360-G366 WeakPolarHBondContact OD1-CA 3.28Å; N360-G366 PolarHBondContact OD1-O 3.12Å
361K71.9Confident87.3Confident87 Ų8727 Ų2738%0.37813%0.132SC..SBendtrans-123.5169.2174.5-63.6-175.2-178.1171.30110.3R357 L359 F363 A364R357-K361 VanDerWaalsContact O-CD 3.23Å; R357-K361 WeakPolarHBondContact O-CD 3.4Å; R357-K361 WeakPolarHBondContact O-CE 3.38Å; R357-K361 PolarHBondContact O-NZ 2.73Å; L359-K361 PolarHBondContact O-N 3.22Å; K361-F363 PolarHBondContact O-N 3.35Å; K361-A364 PolarHBondContact O-N 2.9Å; K361-A364 VanDerWaalsContact O-N 3.14Å
362F65.2Low87.4Confident160 Ų16028.9 Ų28.970%0.70214%0.14SC*.THydrogen-bonded Turntrans-51.7137.4177.6-162-115.9000111.4A364 F376F362-A364 PolarHBondContact O-N 3.42Å; F362-F376 HydrophobicContact CE2-CE1 4.25Å
363F67.7Low87.3Confident112 Ų11232.1 Ų32.149%0.49116%0.155SC..THydrogen-bonded Turntrans66.2-6.4-174-62.4-60.4000118.8K361 F376 R394K361-F363 PolarHBondContact O-N 3.35Å; F363-F376 HydrophobicContact CD1-CE1 4.1Å; F363-F376 HydrophobicContact CD1-CZ 4.49Å; F363-F376 HydrophobicContact CE1-CE1 4.32Å; F363-F376 HydrophobicContact CE1-CZ 4.33Å; F363-R394 PolarHBondContact O-NH2 3.36Å; F363-R394 VanDerWaalsContact O-NH2 3.16Å
364A76.8Confident87.2Confident16 Ų1633.5 Ų33.513%0.13216%0.162CC..SBendtrans-108.7149.6176.800000111.7R358 K361 F362R358-A364 HydrophobicContact CG-CB 3.72Å; R358-A364 WeakPolarHBondContact O-CB 3.02Å; K361-A364 PolarHBondContact O-N 2.9Å; K361-A364 VanDerWaalsContact O-N 3.14Å; F362-A364 PolarHBondContact O-N 3.42Å
365P82.1Confident87Confident2 Ų240.5 Ų40.51%0.01319%0.188CC..  trans-66.5143.4176.527.6-33.8000111.7L359 N360 A378 R394 I395 L442L359-P365 HydrophobicContact CD2-CG 4.28Å; N360-P365 PolarHBondContact N-O 2.86Å; P365-A378 HydrophobicContact CB-CB 3.87Å; P365-R394 HydrophobicContact CG-CB 4.37Å; P365-I395 HydrophobicContact CG-CG2 4.09Å; P365-L442 HydrophobicContact CB-CD1 4.14Å
366G86.3Confident86.6Confident13 Ų1345.7 Ų45.713%0.13421%0.211CC..  trans-130.9-10.2173.900000114.4N360 M441 L442N360-G366 WeakPolarHBondContact OD1-CA 3.28Å; N360-G366 PolarHBondContact OD1-O 3.12Å; G366-M441 WeakPolarHBondContact O-CE 3.5Å; G366-L442 PolarHBondContact O-N 2.81Å
367A92.7Very high86.6Confident2 Ų245.2 Ų45.22%0.01721%0.209CC..BIsolated β-bridgetrans-125.6157-17800000111.7N369 A378 P430 V439 K440 M441A367-N369 VanDerWaalsContact C-N 3.33Å; A367-N369 PolarHBondContact O-N 2.87Å; A367-N369 VanDerWaalsContact O-N 3.13Å; A367-N369 PolarHBondContact O-OD1 2.95Å; A367-A378 WeakPolarHBondContact O-CB 3.38Å; A367-P430 HydrophobicContact CB-CG 3.73Å; A367-V439 HydrophobicContact CB-CB 4.5Å; A367-V439 HydrophobicContact CB-CG1 3.77Å; A367-V439 HydrophobicContact CB-CG2 3.84Å; A367-K440 WeakPolarHBondContact CA-O 3.28Å; A367-M441 HydrophobicContact CB-SD 4.2Å
368V95.1Very high86.8Confident12 Ų1245 Ų457%0.07321%0.208CC..SBendtrans-79.384170.7176.20000107.2I339 L342 P343 V439 K440 L442I339-V368 HydrophobicContact CG2-CG1 3.82Å; I339-V368 WeakPolarHBondContact O-CG1 3.42Å; L342-V368 HydrophobicContact CB-CG1 4.26Å; L342-V368 HydrophobicContact CB-CG2 4.3Å; L342-V368 HydrophobicContact CD1-CB 4.37Å; L342-V368 HydrophobicContact CD1-CG1 4.07Å; P343-V368 HydrophobicContact CG-CG2 3.87Å; V368-V439 VanDerWaalsContact O-CG2 3.24Å; V368-V439 WeakPolarHBondContact O-CG2 3.36Å; V368-K440 HydrophobicContact CB-CB 4.11Å; V368-K440 WeakPolarHBondContact CB-O 3.48Å; V368-K440 HydrophobicContact CG2-CB 4.23Å; V368-K440 HydrophobicContact CG2-CD 4.3Å; V368-K440 HydrophobicContact CG2-CG 4.09Å; V368-K440 PolarHBondContact N-O 3.28Å; V368-L442 HydrophobicContact CG2-CD2 3.75Å; V368-L442 HydrophobicContact CG2-CG 4.27Å
369N95.6Very high87.2Confident3 Ų344.4 Ų44.42%0.01621%0.206CC..  trans-149.3164.6-176.161.93.8000113.4A367 V377 A378 V379 Q428 V439A367-N369 VanDerWaalsContact C-N 3.33Å; A367-N369 PolarHBondContact O-N 2.87Å; A367-N369 VanDerWaalsContact O-N 3.13Å; A367-N369 PolarHBondContact O-OD1 2.95Å; N369-V377 HydrophobicContact CB-CG1 4.48Å; N369-V377 WeakPolarHBondContact OD1-CA 3.07Å; N369-V377 WeakPolarHBondContact OD1-CB 3.4Å; N369-A378 PolarHBondContact O-N 3.14Å; N369-A378 PolarHBondContact OD1-N 3.13Å; N369-V379 PolarHBondContact O-N 3.21Å; N369-V379 VanDerWaalsContact O-N 3.12Å; N369-Q428 WeakPolarHBondContact CB-O 3.48Å; N369-Q428 PolarHBondContact ND2-O 2.72Å; N369-V439 HydrophobicContact CB-CG2 4.01Å
370W97.6Very high87.9Confident5 Ų545.6 Ų45.62%0.01921%0.21CC..EExtended strand (participates in β ladder)trans-143.1160.1173.272.1-70.1000110.7L327 I335 I339 F372 V379 V381 P423 P424 P426 G427L327-W370 HydrophobicContact CD2-CH2 4.16Å; L327-W370 HydrophobicContact CD2-CZ3 4.2Å; I335-W370 HydrophobicContact CD1-CE3 4.17Å; I335-W370 HydrophobicContact CD1-CZ3 4.08Å; I335-W370 HydrophobicContact CG2-CB 4.22Å; I335-W370 HydrophobicContact CG2-CD2 3.76Å; I335-W370 HydrophobicContact CG2-CE3 4.19Å; I335-W370 HydrophobicContact CG2-CG 3.77Å; I339-W370 HydrophobicContact CD1-CB 4.05Å; I339-W370 HydrophobicContact CD1-CG 4.34Å; W370-F372 AromaticContact CH2-CE2 3.99Å; W370-F372 HydrophobicContact CH2-CE2 3.99Å; W370-F372 HydrophobicContact CH2-CZ 4.14Å; W370-F372 HydrophobicContact CZ3-CD2 4.33Å; W370-F372 HydrophobicContact CZ3-CE1 4.46Å; W370-F372 AromaticContact CZ3-CE2 3.81Å; W370-F372 HydrophobicContact CZ3-CE2 3.81Å; W370-F372 AromaticContact CZ3-CZ 3.89Å; W370-F372 HydrophobicContact CZ3-CZ 3.89Å; W370-V379 WeakPolarHBondContact CA-O 3.32Å; W370-V379 HydrophobicContact CB-CB 3.87Å; W370-V379 HydrophobicContact CB-CG1 4.25Å; W370-V379 WeakPolarHBondContact CB-O 3.22Å; W370-V381 HydrophobicContact CE3-CG2 3.6Å; W370-V381 HydrophobicContact CZ3-CG2 3.88Å; W370-P423 HydrophobicContact CZ2-CB 4.1Å; W370-P423 HydrophobicContact CZ2-CG 3.82Å; W370-P424 PolarHBondContact NE1-O 2.8Å; W370-P426 HydrophobicContact CD2-CB 4.29Å; W370-P426 HydrophobicContact CE3-CB 4.31Å; W370-P426 HydrophobicContact CH2-CB 3.94Å; W370-P426 HydrophobicContact CH2-CG 4.29Å; W370-P426 HydrophobicContact CZ2-CB 3.87Å; W370-P426 HydrophobicContact CZ2-CG 4.27Å; W370-P426 HydrophobicContact CZ3-CB 4.15Å; W370-G427 PolarHBondContact O-N 2.96Å
371D96.8Very high89.2Confident37 Ų3742.1 Ų42.120%0.19819%0.192CC..EExtended strand (participates in β ladder)trans-164.1166.4172.8-1603.9000110.6D374 V377 V379 V381 G427D371-D374 HydrophobicContact CB-CB 3.83Å; D371-V377 HydrophobicContact CB-CG1 3.81Å; D371-V377 HydrophobicContact CB-CG2 4.34Å; D371-V379 PolarHBondContact N-O 3.15Å; D371-V381 PolarHBondContact O-N 3.37Å; D371-G427 VanDerWaalsContact CG-CA 3.44Å; D371-G427 VanDerWaalsContact OD2-CA 3.28Å; D371-G427 WeakPolarHBondContact OD2-CA 3.18Å
372F96.8Very high90.4Very high45 Ų4538.9 Ų38.920%0.19718%0.178CC..EExtended strand (participates in β ladder)trans-77.5127.4173.2-64.8-85.4000110.6D325 L327 W370 D374 V381 N383 P426D325-F372 HydrophobicContact CB-CZ 4.1Å; L327-F372 HydrophobicContact CD2-CE1 4.33Å; L327-F372 HydrophobicContact CD2-CZ 4.05Å; W370-F372 AromaticContact CH2-CE2 3.99Å; W370-F372 HydrophobicContact CH2-CE2 3.99Å; W370-F372 HydrophobicContact CH2-CZ 4.14Å; W370-F372 HydrophobicContact CZ3-CD2 4.33Å; W370-F372 HydrophobicContact CZ3-CE1 4.46Å; W370-F372 AromaticContact CZ3-CE2 3.81Å; W370-F372 HydrophobicContact CZ3-CE2 3.81Å; W370-F372 AromaticContact CZ3-CZ 3.89Å; W370-F372 HydrophobicContact CZ3-CZ 3.89Å; F372-D374 PolarHBondContact O-N 3.27Å; F372-V381 CarbonylContact C-O 3.58Å; F372-V381 WeakPolarHBondContact CA-O 3.19Å; F372-V381 HydrophobicContact CD1-CB 4.03Å; F372-V381 HydrophobicContact CD1-CG1 3.87Å; F372-V381 HydrophobicContact CE1-CB 4.34Å; F372-V381 HydrophobicContact CE1-CG1 3.88Å; F372-N383 HydrophobicContact CD1-CB 4.15Å; F372-N383 HydrophobicContact CE1-CB 4.24Å; F372-P426 HydrophobicContact CD2-CB 4.22Å; F372-P426 HydrophobicContact CD2-CG 4.41Å; F372-P426 HydrophobicContact CE2-CB 4.26Å; F372-P426 HydrophobicContact CE2-CG 4.16Å
373H94.2Very high91.8Very high73 Ų7332.1 Ų32.134%0.33815%0.149SC..SBendtrans590.5173.5-51.6-76.2000117.1R380 V381 N383 F384H373-R380 VanDerWaalsContact C-NE 3.29Å; H373-R380 PolarHBondContact O-NE 3.12Å; H373-R380 PolarHBondContact O-NH2 3.06Å; H373-R380 VanDerWaalsContact O-NH2 3.07Å; H373-V381 PolarHBondContact N-O 2.91Å; H373-N383 PolarHBondContact CE1-N 3.1Å; H373-N383 VanDerWaalsContact CE1-N 3.33Å; H373-N383 PolarHBondContact CE1-O 2.82Å; H373-N383 PolarHBondContact NE2-O 2.92Å; H373-F384 AromaticContact CE1-CD1 3.87Å; H373-F384 AromaticContact CE1-CE1 3.44Å; H373-F384 VanDerWaalsContact CE1-CE1 3.44Å; H373-F384 WeakPolarHBondContact CE1-CE1 3.29Å; H373-F384 AromaticContact CE1-CE2 3.78Å; H373-F384 AromaticContact CE1-CZ 3.41Å; H373-F384 VanDerWaalsContact CE1-CZ 3.41Å; H373-F384 WeakPolarHBondContact CE1-CZ 3.25Å; H373-F384 AromaticContact ND1-CE1 3.8Å; H373-F384 AromaticContact ND1-CE2 3.96Å; H373-F384 AromaticContact ND1-CZ 3.43Å; H373-F384 WeakPolarHBondContact ND1-CZ 3.13Å
374D93.1Very high93Very high33 Ų3333.3 Ų33.318%0.17615%0.154CC..  trans-82.2127-177.3-166.9-19.2000113.2D371 F372 F376 V377 R380 K429D371-D374 HydrophobicContact CB-CB 3.83Å; F372-D374 PolarHBondContact O-N 3.27Å; D374-F376 VanDerWaalsContact C-N 3.32Å; D374-F376 WeakPolarHBondContact OD1-CA 3.35Å; D374-F376 WeakPolarHBondContact OD1-CB 3.25Å; D374-F376 WeakPolarHBondContact OD1-CD2 3.39Å; D374-F376 PolarHBondContact OD1-N 2.94Å; D374-V377 HydrophobicContact CB-CG1 4.38Å; D374-V377 HydrophobicContact CB-CG2 4.29Å; D374-V377 WeakPolarHBondContact O-CG2 3.32Å; D374-R380 WeakPolarHBondContact O-CB 3.49Å; D374-R380 VanDerWaalsContact O-CD 3.25Å; D374-R380 WeakPolarHBondContact O-CD 3.27Å; D374-R380 WeakPolarHBondContact O-CG 3.34Å; D374-K429 IonicContact OD1-NZ 2.61Å; D374-K429 WeakPolarHBondContact OD2-CE 3.36Å; D374-K429 IonicContact OD2-NZ 3.55Å; D374-K429 PolarHBondContact OD2-NZ 3.03Å
375R89.8Confident93.9Very high147 Ų14735.5 Ų35.556%0.55516%0.163SC*.THydrogen-bonded Turntrans-83.3-5177.3-65.4-176.8-177.5-144.90.5113.6R394R375-R394 PolarHBondContact O-NE 2.81Å; R375-R394 PolarHBondContact O-NH2 3.41Å; R375-R394 VanDerWaalsContact O-NH2 3.16Å
376F88.3Confident94.6Very high109 Ų10938.6 Ų38.648%0.47818%0.178SC..THydrogen-bonded Turntrans-104.116.7-176.4-58.6-78.7000113.5F362 F363 D374 K429F362-F376 HydrophobicContact CE2-CE1 4.25Å; F363-F376 HydrophobicContact CD1-CE1 4.1Å; F363-F376 HydrophobicContact CD1-CZ 4.49Å; F363-F376 HydrophobicContact CE1-CE1 4.32Å; F363-F376 HydrophobicContact CE1-CZ 4.33Å; D374-F376 VanDerWaalsContact C-N 3.32Å; D374-F376 WeakPolarHBondContact OD1-CA 3.35Å; D374-F376 WeakPolarHBondContact OD1-CB 3.25Å; D374-F376 WeakPolarHBondContact OD1-CD2 3.39Å; D374-F376 PolarHBondContact OD1-N 2.94Å; F376-K429 PolarHBondContact O-NZ 3.09Å
377V93.8Very high95Very high0 Ų046 Ų460%021%0.206CC..SBendtrans-110.8167172.1-64.80000111.2N369 D371 D374 V379 R380 R394N369-V377 HydrophobicContact CB-CG1 4.48Å; N369-V377 WeakPolarHBondContact OD1-CA 3.07Å; N369-V377 WeakPolarHBondContact OD1-CB 3.4Å; D371-V377 HydrophobicContact CB-CG1 3.81Å; D371-V377 HydrophobicContact CB-CG2 4.34Å; D374-V377 HydrophobicContact CB-CG1 4.38Å; D374-V377 HydrophobicContact CB-CG2 4.29Å; D374-V377 WeakPolarHBondContact O-CG2 3.32Å; V377-V379 VanDerWaalsContact CG2-O 3.25Å; V377-V379 WeakPolarHBondContact CG2-O 3.45Å; V377-R380 HydrophobicContact CG2-CB 4.1Å; V377-R394 VanDerWaalsContact O-CD 3.29Å; V377-R394 WeakPolarHBondContact O-CD 3.11Å
378A95.8Very high95.1Very high0 Ų049.6 Ų49.60%023%0.226CC..SBendtrans-73.1-40.8173.400000112.7L342 P365 A367 N369 R394 I395 L442L342-A378 HydrophobicContact CD1-CB 3.7Å; L342-A378 HydrophobicContact CD2-CB 4.36Å; P365-A378 HydrophobicContact CB-CB 3.87Å; A367-A378 WeakPolarHBondContact O-CB 3.38Å; N369-A378 PolarHBondContact O-N 3.14Å; N369-A378 PolarHBondContact OD1-N 3.13Å; A378-R394 WeakPolarHBondContact O-CB 3.27Å; A378-R394 PolarHBondContact O-N 3.48Å; A378-I395 HydrophobicContact CB-CG2 3.96Å; A378-L442 HydrophobicContact CB-CD1 4.49Å
379V97.9Very high95.3Very high0 Ų049.1 Ų49.10%022%0.223CC..EExtended strand (participates in β ladder)trans-119.7108.7179.9177.80000109L338 I339 L342 N369 W370 D371 V377 I391L338-V379 HydrophobicContact CB-CG2 4.35Å; L338-V379 HydrophobicContact CD1-CG1 4.16Å; L338-V379 HydrophobicContact CD1-CG2 4.45Å; I339-V379 HydrophobicContact CD1-CG2 4.46Å; L342-V379 HydrophobicContact CD1-CG2 4.26Å; L342-V379 HydrophobicContact CD2-CG2 4.26Å; N369-V379 PolarHBondContact O-N 3.21Å; N369-V379 VanDerWaalsContact O-N 3.12Å; W370-V379 WeakPolarHBondContact CA-O 3.32Å; W370-V379 HydrophobicContact CB-CB 3.87Å; W370-V379 HydrophobicContact CB-CG1 4.25Å; W370-V379 WeakPolarHBondContact CB-O 3.22Å; D371-V379 PolarHBondContact N-O 3.15Å; V377-V379 VanDerWaalsContact CG2-O 3.25Å; V377-V379 WeakPolarHBondContact CG2-O 3.45Å; V379-I391 HydrophobicContact CG1-CG2 3.44Å; V379-I391 VanDerWaalsContact CG1-CG2 3.44Å
380R97.6Very high95.4Very high28 Ų2852.1 Ų52.111%0.10623%0.234CC..EExtended strand (participates in β ladder)trans-99.6122.8-179.2173.9-173-169.9-153.4-1.7109.7H373 D374 V377 E392H373-R380 VanDerWaalsContact C-NE 3.29Å; H373-R380 PolarHBondContact O-NE 3.12Å; H373-R380 PolarHBondContact O-NH2 3.06Å; H373-R380 VanDerWaalsContact O-NH2 3.07Å; D374-R380 WeakPolarHBondContact O-CB 3.49Å; D374-R380 VanDerWaalsContact O-CD 3.25Å; D374-R380 WeakPolarHBondContact O-CD 3.27Å; D374-R380 WeakPolarHBondContact O-CG 3.34Å; V377-R380 HydrophobicContact CG2-CB 4.1Å; R380-E392 HydrophobicContact CB-CB 4.13Å; R380-E392 WeakPolarHBondContact CD-OE2 3.19Å; R380-E392 PolarHBondContact N-O 2.99Å; R380-E392 IonicContact NH1-OE1 3.68Å; R380-E392 PolarHBondContact NH1-OE1 3.06Å; R380-E392 VanDerWaalsContact NH1-OE1 3.08Å; R380-E392 IonicContact NH1-OE2 3.75Å; R380-E392 PolarHBondContact O-N 3.07Å
381V98.3Very high95.4Very high1 Ų151.9 Ų51.91%0.00623%0.233CC..EExtended strand (participates in β ladder)trans-93.1121.3176-178.90000108.9L327 I335 W370 D371 F372 H373 N383 I391L327-V381 HydrophobicContact CD1-CG1 4Å; I335-V381 HydrophobicContact CD1-CG2 3.64Å; I335-V381 HydrophobicContact CG1-CG2 4.44Å; W370-V381 HydrophobicContact CE3-CG2 3.6Å; W370-V381 HydrophobicContact CZ3-CG2 3.88Å; D371-V381 PolarHBondContact O-N 3.37Å; F372-V381 CarbonylContact C-O 3.58Å; F372-V381 WeakPolarHBondContact CA-O 3.19Å; F372-V381 HydrophobicContact CD1-CB 4.03Å; F372-V381 HydrophobicContact CD1-CG1 3.87Å; F372-V381 HydrophobicContact CE1-CB 4.34Å; F372-V381 HydrophobicContact CE1-CG1 3.88Å; H373-V381 PolarHBondContact N-O 2.91Å; V381-N383 HydrophobicContact CG1-CB 4.21Å; V381-I391 HydrophobicContact CG2-CG1 4.43Å
382K97.4Very high95.5Very high18 Ų1850.2 Ų50.28%0.07822%0.224CC..EExtended strand (participates in β ladder)trans-102104.9171.2-72.5173-175.9160.80106.9F384 T389 Y390 E392K382-F384 HydrophobicContact CB-CD2 4.45Å; K382-F384 HydrophobicContact CB-CE2 3.98Å; K382-F384 HydrophobicContact CG-CE2 4.44Å; K382-T389 CarbonylContact O-C 3.54Å; K382-T389 VanDerWaalsContact O-CA 3.27Å; K382-T389 WeakPolarHBondContact O-CA 3.27Å; K382-Y390 HydrophobicContact CB-CD1 4.26Å; K382-Y390 HydrophobicContact CB-CD2 4.48Å; K382-Y390 HydrophobicContact CB-CE1 3.98Å; K382-Y390 HydrophobicContact CB-CE2 4.25Å; K382-Y390 HydrophobicContact CD-CD2 4.26Å; K382-Y390 HydrophobicContact CD-CE1 4.02Å; K382-Y390 HydrophobicContact CD-CE2 3.36Å; K382-Y390 WeakPolarHBondContact CD-OH 3.29Å; K382-Y390 HydrophobicContact CG-CE2 4.36Å; K382-Y390 PolarHBondContact N-O 3.29Å; K382-Y390 PolarHBondContact NZ-OH 3.3Å; K382-Y390 PolarHBondContact O-N 3.43Å; K382-E392 WeakPolarHBondContact CE-OE1 3.36Å; K382-E392 IonicContact NZ-OE1 3.78Å; K382-E392 PolarHBondContact NZ-OE1 3.16Å
383N94.6Very high95.6Very high19 Ų1948.1 Ų48.110%0.10222%0.215CC..  trans-120.8103.4-176.7-1687000109.9D325 G326 F372 H373 V381 T389D325-N383 PolarHBondContact O-ND2 2.88Å; G326-N383 PolarHBondContact O-ND2 2.92Å; F372-N383 HydrophobicContact CD1-CB 4.15Å; F372-N383 HydrophobicContact CE1-CB 4.24Å; H373-N383 PolarHBondContact CE1-N 3.1Å; H373-N383 VanDerWaalsContact CE1-N 3.33Å; H373-N383 PolarHBondContact CE1-O 2.82Å; H373-N383 PolarHBondContact NE2-O 2.92Å; V381-N383 HydrophobicContact CG1-CB 4.21Å; N383-T389 HydrophobicContact CB-CG2 4.46Å; N383-T389 PolarHBondContact OD1-OG1 2.99Å
384F93.6Very high95.6Very high136 Ų13645.2 Ų45.260%0.59620%0.201SC*.SBendtrans-120.4-50.3-177.9-61.6-77.5000111.9H373 K382 N388H373-F384 AromaticContact CE1-CD1 3.87Å; H373-F384 AromaticContact CE1-CE1 3.44Å; H373-F384 VanDerWaalsContact CE1-CE1 3.44Å; H373-F384 WeakPolarHBondContact CE1-CE1 3.29Å; H373-F384 AromaticContact CE1-CE2 3.78Å; H373-F384 AromaticContact CE1-CZ 3.41Å; H373-F384 VanDerWaalsContact CE1-CZ 3.41Å; H373-F384 WeakPolarHBondContact CE1-CZ 3.25Å; H373-F384 AromaticContact ND1-CE1 3.8Å; H373-F384 AromaticContact ND1-CE2 3.96Å; H373-F384 AromaticContact ND1-CZ 3.43Å; H373-F384 WeakPolarHBondContact ND1-CZ 3.13Å; K382-F384 HydrophobicContact CB-CD2 4.45Å; K382-F384 HydrophobicContact CB-CE2 3.98Å; K382-F384 HydrophobicContact CG-CE2 4.44Å; F384-N388 HydrophobicContact CB-CB 4.01Å; F384-N388 HydrophobicContact CD2-CB 4.27Å
385D95.2Very high95.8Very high62 Ų6243.6 Ų43.633%0.33219%0.193SC..SBendtrans-159178.4177.962.152000109.7K387 N388 T389D385-K387 PolarHBondContact O-N 3.33Å; D385-K387 VanDerWaalsContact O-N 3.14Å; D385-K387 WeakPolarHBondContact OD1-CA 3.48Å; D385-K387 WeakPolarHBondContact OD1-CB 3.16Å; D385-K387 PolarHBondContact OD1-N 2.83Å; D385-N388 CarbonylContact O-C 3.38Å; D385-N388 PolarHBondContact O-N 2.99Å; D385-N388 VanDerWaalsContact O-N 3.1Å; D385-N388 PolarHBondContact OD1-N 2.71Å; D385-N388 PolarHBondContact OD1-ND2 2.9Å; D385-N388 VanDerWaalsContact OD1-ND2 3.13Å; D385-N388 PolarHBondContact OD2-ND2 3.16Å; D385-T389 WeakPolarHBondContact O-CB 3.24Å; D385-T389 PolarHBondContact O-N 3.1Å; D385-T389 PolarHBondContact O-OG1 2.89Å
386E95.8Very high96.1Very high67 Ų6736.6 Ų36.631%0.31317%0.166SC..SBendtrans-53.7-36-179.2-169.7171.4-153.500113.5R315 N316 Y319R315-E386 WeakPolarHBondContact CG-OE1 3.41Å; R315-E386 IonicContact CZ-OE1 2.79Å; R315-E386 IonicContact NE-OE1 2.94Å; R315-E386 PolarHBondContact NE-OE1 2.91Å; R315-E386 IonicContact NH2-OE1 3.05Å; N316-E386 HydrophobicContact CB-CG 4.05Å; N316-E386 WeakPolarHBondContact CB-O 3.34Å; N316-E386 PolarHBondContact ND2-O 3.03Å; Y319-E386 VanDerWaalsContact CD1-CA 3.46Å; Y319-E386 HydrophobicContact CD1-CB 3.45Å; Y319-E386 VanDerWaalsContact CD1-CB 3.45Å; Y319-E386 HydrophobicContact CD1-CG 3.81Å; Y319-E386 HydrophobicContact CE1-CB 3.72Å; Y319-E386 HydrophobicContact CE1-CG 4.44Å; Y319-E386 VanDerWaalsContact CG-CA 3.49Å; Y319-E386 HydrophobicContact CG-CB 4.05Å; Y319-E386 HydrophobicContact CG-CG 4.44Å
387K94.7Very high96.5Very high168 Ų16831.4 Ų31.473%0.7314%0.143SC*.SBendtrans-82.4-30.4-178.9-65-177.7179.6178.90112.6D385D385-K387 PolarHBondContact O-N 3.33Å; D385-K387 VanDerWaalsContact O-N 3.14Å; D385-K387 WeakPolarHBondContact OD1-CA 3.48Å; D385-K387 WeakPolarHBondContact OD1-CB 3.16Å; D385-K387 PolarHBondContact OD1-N 2.83Å
388N95.5Very high96.5Very high79 Ų7931.4 Ų31.442%0.42214%0.143SC..SBendtrans-108.419.4-171.2-64-59.1000113.3F384 D385 Y390F384-N388 HydrophobicContact CB-CB 4.01Å; F384-N388 HydrophobicContact CD2-CB 4.27Å; D385-N388 CarbonylContact O-C 3.38Å; D385-N388 PolarHBondContact O-N 2.99Å; D385-N388 VanDerWaalsContact O-N 3.1Å; D385-N388 PolarHBondContact OD1-N 2.71Å; D385-N388 PolarHBondContact OD1-ND2 2.9Å; D385-N388 VanDerWaalsContact OD1-ND2 3.13Å; D385-N388 PolarHBondContact OD2-ND2 3.16Å; N388-Y390 WeakPolarHBondContact O-CD1 3.19Å
389T98Very high96.5Very high2 Ų231.5 Ų31.51%0.01214%0.144CC..  trans-93113.8173.8-59.70000111.4N316 F318 Y319 K382 N383 D385N316-T389 PolarHBondContact ND2-O 2.85Å; F318-T389 HydrophobicContact CB-CG2 3.84Å; Y319-T389 WeakPolarHBondContact CD2-OG1 3.32Å; K382-T389 CarbonylContact O-C 3.54Å; K382-T389 VanDerWaalsContact O-CA 3.27Å; K382-T389 WeakPolarHBondContact O-CA 3.27Å; N383-T389 HydrophobicContact CB-CG2 4.46Å; N383-T389 PolarHBondContact OD1-OG1 2.99Å; D385-T389 WeakPolarHBondContact O-CB 3.24Å; D385-T389 PolarHBondContact O-N 3.1Å; D385-T389 PolarHBondContact O-OG1 2.89Å
390Y98.4Very high96.5Very high65 Ų6531.5 Ų31.526%0.25514%0.144SC..EExtended strand (participates in β ladder)trans-155.8167179.762.2-84000112N305 H306 K382 N388N305-Y390 HydrophobicContact CB-CD2 3.93Å; N305-Y390 HydrophobicContact CB-CE2 3.99Å; N305-Y390 VanDerWaalsContact OD1-CE2 3.28Å; N305-Y390 WeakPolarHBondContact OD1-CE2 3.43Å; H306-Y390 WeakPolarHBondContact O-CB 3.03Å; K382-Y390 HydrophobicContact CB-CD1 4.26Å; K382-Y390 HydrophobicContact CB-CD2 4.48Å; K382-Y390 HydrophobicContact CB-CE1 3.98Å; K382-Y390 HydrophobicContact CB-CE2 4.25Å; K382-Y390 HydrophobicContact CD-CD2 4.26Å; K382-Y390 HydrophobicContact CD-CE1 4.02Å; K382-Y390 HydrophobicContact CD-CE2 3.36Å; K382-Y390 WeakPolarHBondContact CD-OH 3.29Å; K382-Y390 HydrophobicContact CG-CE2 4.36Å; K382-Y390 PolarHBondContact N-O 3.29Å; K382-Y390 PolarHBondContact NZ-OH 3.3Å; K382-Y390 PolarHBondContact O-N 3.43Å; N388-Y390 WeakPolarHBondContact O-CD1 3.19Å
391I98.7Very high96.5Very high1 Ų130.2 Ų30.21%0.00514%0.139CC..EExtended strand (participates in β ladder)trans-110.5130.8-179.1-62173.4000108.5N305 H306 F318 I335 L338 V379 V381N305-I391 CarbonylContact C-O 3.53Å; N305-I391 WeakPolarHBondContact CA-O 3.28Å; H306-I391 PolarHBondContact N-O 2.97Å; H306-I391 PolarHBondContact ND1-O 3.49Å; H306-I391 PolarHBondContact O-N 2.61Å; F318-I391 HydrophobicContact CD2-CD1 4.09Å; F318-I391 HydrophobicContact CD2-CG1 4.12Å; F318-I391 HydrophobicContact CE1-CD1 4.47Å; F318-I391 HydrophobicContact CE2-CB 4.44Å; F318-I391 HydrophobicContact CE2-CD1 3.52Å; F318-I391 HydrophobicContact CE2-CG1 3.82Å; F318-I391 HydrophobicContact CZ-CD1 3.74Å; I335-I391 HydrophobicContact CD1-CD1 4.16Å; I335-I391 HydrophobicContact CG1-CD1 3.59Å; I335-I391 HydrophobicContact CG1-CG1 4.48Å; L338-I391 HydrophobicContact CD1-CG2 4.13Å; V379-I391 HydrophobicContact CG1-CG2 3.44Å; V379-I391 VanDerWaalsContact CG1-CG2 3.44Å; V381-I391 HydrophobicContact CG2-CG1 4.43Å
392E98.5Very high96.5Very high2 Ų230.2 Ų30.21%0.00914%0.139CC..EExtended strand (participates in β ladder)trans-103107.4172.2-179.7-167.4-75.300108.5H303 Y304 N305 R380 K382 R394H303-E392 HydrophobicContact CB-CG 3.98Å; Y304-E392 CarbonylContact O-C 3.59Å; Y304-E392 WeakPolarHBondContact O-CA 3.01Å; N305-E392 VanDerWaalsContact OD1-CB 3.27Å; N305-E392 WeakPolarHBondContact OD1-CB 3.43Å; N305-E392 WeakPolarHBondContact OD1-CG 3.13Å; R380-E392 HydrophobicContact CB-CB 4.13Å; R380-E392 WeakPolarHBondContact CD-OE2 3.19Å; R380-E392 PolarHBondContact N-O 2.99Å; R380-E392 IonicContact NH1-OE1 3.68Å; R380-E392 PolarHBondContact NH1-OE1 3.06Å; R380-E392 VanDerWaalsContact NH1-OE1 3.08Å; R380-E392 IonicContact NH1-OE2 3.75Å; R380-E392 PolarHBondContact O-N 3.07Å; K382-E392 WeakPolarHBondContact CE-OE1 3.36Å; K382-E392 IonicContact NZ-OE1 3.78Å; K382-E392 PolarHBondContact NZ-OE1 3.16Å; E392-R394 HydrophobicContact CG-CG 3.94Å; E392-R394 WeakPolarHBondContact OE2-CD 3.44Å; E392-R394 VanDerWaalsContact OE2-CG 3.25Å; E392-R394 WeakPolarHBondContact OE2-CG 3.27Å; E392-R394 IonicContact OE2-CZ 2.68Å; E392-R394 IonicContact OE2-NE 3.13Å; E392-R394 IonicContact OE2-NH1 3.01Å; E392-R394 PolarHBondContact OE2-NH1 3.4Å
393N97.6Very high96.5Very high0 Ų029.3 Ų29.30%014%0.136CC..EExtended strand (participates in β ladder)trans-83.9117169.9-175.9-0.6000109.7Y304 I395 P396Y304-N393 PolarHBondContact N-O 2.84Å; Y304-N393 PolarHBondContact O-N 3.36Å; N393-I395 WeakPolarHBondContact OD1-CG1 3.49Å; N393-I395 PolarHBondContact OD1-N 2.69Å; N393-P396 WeakPolarHBondContact O-CD 3.46Å
394R96.1Very high96.7Very high12 Ų1228.5 Ų28.55%0.04513%0.131CC..  trans-99.8-3-171.2-58.2174.458.162.812.5113.7H303 R358 F363 P365 R375 V377 A378 E392 P396H303-R394 PolarHBondContact CE1-NH1 3.21Å; H303-R394 PolarHBondContact NE2-NH1 2.65Å; H303-R394 VanDerWaalsContact NE2-NH1 3.19Å; H303-R394 PolarHBondContact NE2-NH2 2.79Å; R358-R394 PolarHBondContact NH2-O 2.94Å; F363-R394 PolarHBondContact O-NH2 3.36Å; F363-R394 VanDerWaalsContact O-NH2 3.16Å; P365-R394 HydrophobicContact CG-CB 4.37Å; R375-R394 PolarHBondContact O-NE 2.81Å; R375-R394 PolarHBondContact O-NH2 3.41Å; R375-R394 VanDerWaalsContact O-NH2 3.16Å; V377-R394 VanDerWaalsContact O-CD 3.29Å; V377-R394 WeakPolarHBondContact O-CD 3.11Å; A378-R394 WeakPolarHBondContact O-CB 3.27Å; A378-R394 PolarHBondContact O-N 3.48Å; E392-R394 HydrophobicContact CG-CG 3.94Å; E392-R394 WeakPolarHBondContact OE2-CD 3.44Å; E392-R394 VanDerWaalsContact OE2-CG 3.25Å; E392-R394 WeakPolarHBondContact OE2-CG 3.27Å; E392-R394 IonicContact OE2-CZ 2.68Å; E392-R394 IonicContact OE2-NE 3.13Å; E392-R394 IonicContact OE2-NH1 3.01Å; E392-R394 PolarHBondContact OE2-NH1 3.4Å; R394-P396 VanDerWaalsContact C-CD 3.42Å
395I96.1Very high97Very high0 Ų022 Ų220%010%0.103CC..  trans-75-25.1177.183.2-175000114.9L342 M345 L346 C349 S350 R358 P365 A378 N393 L442L342-I395 HydrophobicContact CD2-CD1 3.74Å; L342-I395 HydrophobicContact CD2-CG2 3.89Å; M345-I395 HydrophobicContact CB-CD1 3.77Å; M345-I395 HydrophobicContact CE-CD1 4.43Å; L346-I395 HydrophobicContact CD1-CB 4.01Å; C349-I395 HydrophobicContact CB-CD1 4.01Å; C349-I395 HydrophobicContact CB-CG1 3.72Å; S350-I395 PolarHBondContact OG-O 3.49Å; R358-I395 VanDerWaalsContact NH2-C 3.28Å; R358-I395 PolarHBondContact NH2-O 2.91Å; P365-I395 HydrophobicContact CG-CG2 4.09Å; A378-I395 HydrophobicContact CB-CG2 3.96Å; N393-I395 WeakPolarHBondContact OD1-CG1 3.49Å; N393-I395 PolarHBondContact OD1-N 2.69Å; I395-L442 HydrophobicContact CG2-CD1 4.43Å
396P97.3Very high97.1Very high0 Ų019.1 Ų19.10%09%0.087CC..  trans-69.2149.8-177.7-1125.8000112.2C302 C349 R358 N393 R394 V405C302-P396 PolarHBondContact N-O 3.07Å; C302-P396 VanDerWaalsContact N-O 3.16Å; C302-P396 VanDerWaalsContact O-CB 3.27Å; C302-P396 WeakPolarHBondContact O-CB 3.31Å; C349-P396 HydrophobicContact CB-CB 4.07Å; C349-P396 HydrophobicContact CB-CG 4.21Å; C349-P396 VanDerWaalsContact O-CA 3.32Å; C349-P396 WeakPolarHBondContact O-CA 3.21Å; R358-P396 VanDerWaalsContact CZ-O 3.29Å; R358-P396 PolarHBondContact NH1-O 3.3Å; R358-P396 PolarHBondContact NH2-O 3.4Å; N393-P396 WeakPolarHBondContact O-CD 3.46Å; R394-P396 VanDerWaalsContact C-CD 3.42Å; P396-V405 HydrophobicContact CB-CG1 4.05Å; P396-V405 HydrophobicContact CB-CG2 3.79Å; P396-V405 HydrophobicContact CG-CG1 3.69Å; P396-V405 HydrophobicContact CG-CG2 4.33Å
397S95.7Very high97.3Very high0 Ų016 Ų160%07%0.072CC..BIsolated β-bridgetrans-111.5157.9179.6690000111.9T291 C349 C355 R358 A399 S400T291-S397 WeakPolarHBondContact OG1-CB 3.22Å; C349-S397 PolarHBondContact O-N 3.21Å; C349-S397 PolarHBondContact O-OG 3.32Å; C355-S397 PolarHBondContact SG-OG 2.91Å; R358-S397 VanDerWaalsContact NH1-CB 3.27Å; S397-A399 PolarHBondContact O-N 3.15Å; S397-A399 VanDerWaalsContact O-N 3.15Å; S397-S400 WeakPolarHBondContact O-CB 3.36Å; S397-S400 PolarHBondContact O-N 3.03Å; S397-S400 PolarHBondContact O-OG 3.42Å; S397-S400 PolarHBondContact OG-N 3.37Å
398S94.9Very high97.4Very high0 Ų08 Ų80%04%0.038CC..THydrogen-bonded Turntrans-58.2-26.4174.2-52.10000112.6E175 Y269 K273 F289 S300 G301 S400E175-S398 WeakPolarHBondContact O-CB 3.47Å; E175-S398 PolarHBondContact O-OG 3.3Å; Y269-S398 PolarHBondContact OH-O 3.19Å; K273-S398 PolarHBondContact NZ-O 2.93Å; F289-S398 WeakPolarHBondContact CB-O 3.11Å; F289-S398 CarbonylContact O-C 3.18Å; F289-S398 VanDerWaalsContact O-C 3.29Å; F289-S398 WeakPolarHBondContact O-CB 3.41Å; S300-S398 WeakPolarHBondContact CB-OG 3.45Å; S300-S398 PolarHBondContact O-OG 2.86Å; G301-S398 PolarHBondContact O-OG 3.38Å; S398-S400 PolarHBondContact O-N 3.17Å
399A95.8Very high97.6Very high2 Ų24.2 Ų4.22%0.0172%0.018CC..THydrogen-bonded Turntrans-75.3-10.5174.900000113.3F289 T352 S397 T507F289-A399 PolarHBondContact O-N 2.63Å; F289-A399 VanDerWaalsContact O-N 3.12Å; T352-A399 HydrophobicContact CG2-CB 4.05Å; S397-A399 PolarHBondContact O-N 3.15Å; S397-A399 VanDerWaalsContact O-N 3.15Å; A399-T507 HydrophobicContact CB-CG2 3.75Å
400S96.4Very high97.6Very high0 Ų04.2 Ų4.20%02%0.017CC..SBendtrans-68.6154179.672.50000112.6K273 C349 S397 S398 V405K273-S400 PolarHBondContact NZ-O 3.27Å; C349-S400 VanDerWaalsContact O-CB 3.29Å; C349-S400 WeakPolarHBondContact O-CB 3.3Å; S397-S400 WeakPolarHBondContact O-CB 3.36Å; S397-S400 PolarHBondContact O-N 3.03Å; S397-S400 PolarHBondContact O-OG 3.42Å; S397-S400 PolarHBondContact OG-N 3.37Å; S398-S400 PolarHBondContact O-N 3.17Å; S400-V405 VanDerWaalsContact OG-CG2 3.31Å; S400-V405 WeakPolarHBondContact OG-CG2 3.37Å
401C97.6Very high97.7Very high0 Ų01.1 Ų1.10%01%0.005CC..  trans-83.7126.3166.8-177.20000108.4Y403 H404 V405C401-Y403 PolarHBondContact O-N 3.46Å; C401-H404 HydrophobicContact CB-CB 3.94Å; C401-H404 VanDerWaalsContact CB-ND1 3.31Å; C401-H404 WeakPolarHBondContact CB-ND1 3.38Å; C401-H404 WeakPolarHBondContact O-CB 3.4Å; C401-H404 PolarHBondContact O-N 3.45Å; C401-V405 PolarHBondContact O-N 3.34Å; C401-V405 VanDerWaalsContact O-N 3.13Å
402P98.4Very high97.7Very high1 Ų11 Ų11%0.0061%0.005CC..Hα-helixtrans-55.1-38.9179.613.8-26.4000113.4F172 A266 Y269 F270 H404 V405 L406F172-P402 HydrophobicContact CE1-CB 4.2Å; F172-P402 HydrophobicContact CE2-CB 4.03Å; F172-P402 HydrophobicContact CZ-CB 3.66Å; A266-P402 HydrophobicContact CB-CB 3.77Å; Y269-P402 HydrophobicContact CD1-CB 3.73Å; Y269-P402 HydrophobicContact CD1-CG 4.03Å; Y269-P402 HydrophobicContact CE1-CB 4.49Å; Y269-P402 HydrophobicContact CG-CB 4.41Å; Y269-P402 HydrophobicContact CG-CG 4.5Å; F270-P402 HydrophobicContact CB-CG 3.94Å; F270-P402 HydrophobicContact CD2-CG 4.31Å; P402-H404 VanDerWaalsContact C-N 3.28Å; P402-H404 PolarHBondContact O-N 2.77Å; P402-V405 PolarHBondContact O-N 2.98Å; P402-L406 WeakPolarHBondContact O-CD1 3.48Å; P402-L406 PolarHBondContact O-N 3.29Å
403Y98.7Very high97.7Very high0 Ų01 Ų10%01%0.005CC..Hα-helixtrans-62.8-36.1178-55.7-64.3000112.6P36 P149 R150 V153 L263 A266 D267 F270 C401 A407P36-Y403 HydrophobicContact CB-CD2 3.93Å; P36-Y403 HydrophobicContact CB-CE2 4.01Å; P36-Y403 HydrophobicContact CG-CD2 3.63Å; P36-Y403 HydrophobicContact CG-CE2 3.65Å; P149-Y403 HydrophobicContact CB-CD2 4.33Å; P149-Y403 HydrophobicContact CB-CG 4.31Å; R150-Y403 HydrophobicContact CG-CD1 4.01Å; R150-Y403 HydrophobicContact CG-CD2 4.33Å; R150-Y403 HydrophobicContact CG-CE1 3.75Å; R150-Y403 HydrophobicContact CG-CE2 4.09Å; R150-Y403 HydrophobicContact CG-CG 4.29Å; R150-Y403 PolarHBondContact NH1-OH 2.84Å; V153-Y403 HydrophobicContact CG1-CD1 4.24Å; L263-Y403 HydrophobicContact CD1-CD1 3.77Å; L263-Y403 HydrophobicContact CD1-CE1 3.82Å; L263-Y403 HydrophobicContact CG-CE1 4.44Å; A266-Y403 HydrophobicContact CB-CD1 3.52Å; A266-Y403 HydrophobicContact CB-CE1 3.55Å; A266-Y403 HydrophobicContact CB-CG 4.35Å; D267-Y403 WeakPolarHBondContact OD1-CE1 3.28Å; D267-Y403 VanDerWaalsContact OD1-CZ 3.29Å; D267-Y403 PolarHBondContact OD1-OH 2.8Å; F270-Y403 HydrophobicContact CB-CE2 4.03Å; F270-Y403 HydrophobicContact CD1-CE2 4.15Å; F270-Y403 AromaticContact CD2-CE2 3.85Å; F270-Y403 HydrophobicContact CD2-CE2 3.85Å; F270-Y403 HydrophobicContact CE2-CE2 4.33Å; F270-Y403 AromaticContact CG-CE2 3.76Å; F270-Y403 HydrophobicContact CG-CE2 3.76Å; C401-Y403 PolarHBondContact O-N 3.46Å; Y403-A407 VanDerWaalsContact O-CB 3.29Å; Y403-A407 WeakPolarHBondContact O-CB 3.26Å; Y403-A407 PolarHBondContact O-N 2.88Å
404H98.4Very high97.7Very high2 Ų21 Ų11%0.0091%0.005CC..Hα-helixtrans-69.6-40176.6-66.7171.2000111.6L38 P149 I348 C401 P402 A407 A408 F467 Y471L38-H404 PolarHBondContact O-CE1 3.03Å; P149-H404 VanDerWaalsContact CG-NE2 3.35Å; P149-H404 WeakPolarHBondContact CG-NE2 3.34Å; I348-H404 HydrophobicContact CG2-CB 3.55Å; I348-H404 WeakPolarHBondContact CG2-O 3.43Å; C401-H404 HydrophobicContact CB-CB 3.94Å; C401-H404 VanDerWaalsContact CB-ND1 3.31Å; C401-H404 WeakPolarHBondContact CB-ND1 3.38Å; C401-H404 WeakPolarHBondContact O-CB 3.4Å; C401-H404 PolarHBondContact O-N 3.45Å; P402-H404 VanDerWaalsContact C-N 3.28Å; P402-H404 PolarHBondContact O-N 2.77Å; H404-A407 PolarHBondContact O-N 2.94Å; H404-A408 WeakPolarHBondContact O-CB 3.37Å; H404-A408 PolarHBondContact O-N 2.76Å; H404-F467 AromaticContact CD2-CE2 3.54Å; H404-F467 AromaticContact CD2-CZ 3.47Å; H404-F467 VanDerWaalsContact CD2-CZ 3.47Å; H404-F467 WeakPolarHBondContact CD2-CZ 3.36Å; H404-F467 AromaticContact NE2-CE2 3.51Å; H404-F467 AromaticContact NE2-CZ 3.8Å; H404-Y471 AromaticContact CE1-CD2 3.97Å; H404-Y471 AromaticContact CE1-CE2 3.81Å; H404-Y471 AromaticContact ND1-CE2 3.67Å
405V98.6Very high97.9Very high0 Ų00.6 Ų0.60%00%0.004CC..Hα-helixtrans-63.4-44.1176.5178.90000111.1F172 Y304 P396 S400 C401 P402 T409F172-V405 HydrophobicContact CE1-CB 3.91Å; F172-V405 HydrophobicContact CE1-CG1 3.89Å; F172-V405 HydrophobicContact CE1-CG2 4.34Å; F172-V405 HydrophobicContact CZ-CB 4.33Å; F172-V405 HydrophobicContact CZ-CG1 4.47Å; Y304-V405 HydrophobicContact CD1-CG1 4.06Å; Y304-V405 HydrophobicContact CD2-CG1 4.28Å; Y304-V405 HydrophobicContact CG-CG1 3.79Å; P396-V405 HydrophobicContact CB-CG1 4.05Å; P396-V405 HydrophobicContact CB-CG2 3.79Å; P396-V405 HydrophobicContact CG-CG1 3.69Å; P396-V405 HydrophobicContact CG-CG2 4.33Å; S400-V405 VanDerWaalsContact OG-CG2 3.31Å; S400-V405 WeakPolarHBondContact OG-CG2 3.37Å; C401-V405 PolarHBondContact O-N 3.34Å; C401-V405 VanDerWaalsContact O-N 3.13Å; P402-V405 PolarHBondContact O-N 2.98Å; V405-T409 VanDerWaalsContact O-CB 3.31Å; V405-T409 WeakPolarHBondContact O-CB 3.14Å; V405-T409 PolarHBondContact O-N 2.86Å; V405-T409 PolarHBondContact O-OG1 2.9Å
406L98.6Very high98Very high0 Ų00.6 Ų0.60%00%0.004CC..Hα-helixtrans-62-49.1173.1-93.562.9000111.2V153 L168 F172 A266 Y304 P402 A408 T409 L410V153-L406 HydrophobicContact CG2-CB 3.52Å; V153-L406 HydrophobicContact CG2-CD2 4.09Å; V153-L406 HydrophobicContact CG2-CG 4.43Å; L168-L406 HydrophobicContact CD2-CD2 4.35Å; L168-L406 HydrophobicContact CD2-CG 4.24Å; F172-L406 HydrophobicContact CE1-CD1 4.43Å; F172-L406 HydrophobicContact CE2-CD1 3.66Å; F172-L406 HydrophobicContact CZ-CD1 3.3Å; A266-L406 HydrophobicContact CB-CD1 4.09Å; A266-L406 HydrophobicContact CB-CD2 3.7Å; A266-L406 HydrophobicContact CB-CG 4.48Å; Y304-L406 HydrophobicContact CD2-CD1 4.41Å; Y304-L406 HydrophobicContact CE2-CD1 3.53Å; P402-L406 WeakPolarHBondContact O-CD1 3.48Å; P402-L406 PolarHBondContact O-N 3.29Å; L406-A408 PolarHBondContact O-N 2.82Å; L406-T409 PolarHBondContact O-N 2.81Å; L406-L410 WeakPolarHBondContact O-CB 3.15Å; L406-L410 VanDerWaalsContact O-CG 3.32Å; L406-L410 WeakPolarHBondContact O-CG 3.43Å; L406-L410 PolarHBondContact O-N 2.98Å
407A98.6Very high98.1Very high1 Ų11.3 Ų1.31%0.0081%0.007CC..Hα-helixtrans-58.9-46.1-179.400000111.9V153 L156 Y403 H404 A411 L463V153-A407 HydrophobicContact CB-CB 4.28Å; L156-A407 HydrophobicContact CD1-CB 3.94Å; L156-A407 WeakPolarHBondContact CD1-O 3.43Å; Y403-A407 VanDerWaalsContact O-CB 3.29Å; Y403-A407 WeakPolarHBondContact O-CB 3.26Å; Y403-A407 PolarHBondContact O-N 2.88Å; H404-A407 PolarHBondContact O-N 2.94Å; A407-A411 WeakPolarHBondContact O-CB 3.25Å; A407-A411 PolarHBondContact O-N 2.75Å; A407-L463 HydrophobicContact CB-CD2 4.08Å
408A98.7Very high98.2Very high0 Ų04.1 Ų4.10%02%0.022CC..Hα-helixtrans-61.8-46.1175.900000111.8M345 I348 H404 L406 A411 A412 F459M345-A408 HydrophobicContact CE-CB 4.1Å; M345-A408 HydrophobicContact CG-CB 4.28Å; I348-A408 HydrophobicContact CB-CB 4.3Å; I348-A408 HydrophobicContact CG2-CB 3.97Å; H404-A408 WeakPolarHBondContact O-CB 3.37Å; H404-A408 PolarHBondContact O-N 2.76Å; L406-A408 PolarHBondContact O-N 2.82Å; A408-A411 PolarHBondContact O-N 2.91Å; A408-A412 WeakPolarHBondContact O-CB 3.42Å; A408-A412 PolarHBondContact O-N 3.18Å; A408-F459 HydrophobicContact CB-CZ 3.89Å; A408-F459 WeakPolarHBondContact O-CE2 3.27Å
409T98.8Very high98.4Very high1 Ų18.5 Ų8.51%0.0064%0.039CC..Hα-helixtrans-66.4-42.6-177.9-56.40000111.8Y304 W334 L338 V405 L406 G413Y304-T409 HydrophobicContact CD1-CG2 4.27Å; Y304-T409 HydrophobicContact CE1-CG2 3.86Å; W334-T409 HydrophobicContact CZ2-CG2 4.23Å; W334-T409 WeakPolarHBondContact CZ2-O 3.46Å; L338-T409 HydrophobicContact CD2-CG2 4.01Å; V405-T409 VanDerWaalsContact O-CB 3.31Å; V405-T409 WeakPolarHBondContact O-CB 3.14Å; V405-T409 PolarHBondContact O-N 2.86Å; V405-T409 PolarHBondContact O-OG1 2.9Å; L406-T409 PolarHBondContact O-N 2.81Å; T409-G413 PolarHBondContact O-N 2.99Å
410L98.8Very high98.5Very high1 Ų115 Ų151%0.0057%0.069CC..Hα-helixtrans-67.6-45.5176.6-71.7169.1000111.8V153 L156 I157 L160 L168 W334 L406 A412 G413 L414V153-L410 HydrophobicContact CG2-CD1 3.99Å; L156-L410 HydrophobicContact CB-CB 3.85Å; L156-L410 HydrophobicContact CB-CD1 3.85Å; L156-L410 HydrophobicContact CB-CG 4.49Å; L156-L410 HydrophobicContact CD1-CB 4.27Å; I157-L410 HydrophobicContact CG1-CD1 3.57Å; L160-L410 HydrophobicContact CD2-CD2 3.83Å; L168-L410 HydrophobicContact CD2-CD1 4.37Å; L168-L410 HydrophobicContact CD2-CD2 4.14Å; L168-L410 HydrophobicContact CD2-CG 4.41Å; W334-L410 HydrophobicContact CH2-CD2 4.01Å; L406-L410 WeakPolarHBondContact O-CB 3.15Å; L406-L410 VanDerWaalsContact O-CG 3.32Å; L406-L410 WeakPolarHBondContact O-CG 3.43Å; L406-L410 PolarHBondContact O-N 2.98Å; L410-A412 VanDerWaalsContact C-N 3.34Å; L410-A412 PolarHBondContact O-N 3.01Å; L410-G413 PolarHBondContact O-N 3.48Å; L410-L414 WeakPolarHBondContact O-CB 3.43Å; L410-L414 WeakPolarHBondContact O-CD1 3.38Å; L410-L414 WeakPolarHBondContact O-CG 3.46Å; L410-L414 PolarHBondContact O-N 3.42Å
411A98.7Very high98.6Very high0 Ų016.5 Ų16.50%08%0.077CC..Hα-helixtrans-59.6-45.8179.200000111.6L156 A407 A408 D415 F459 K462 L463L156-A411 HydrophobicContact CD1-CB 4.24Å; L156-A411 HydrophobicContact CD2-CB 4.33Å; A407-A411 WeakPolarHBondContact O-CB 3.25Å; A407-A411 PolarHBondContact O-N 2.75Å; A408-A411 PolarHBondContact O-N 2.91Å; A411-D415 PolarHBondContact O-N 2.84Å; A411-D415 VanDerWaalsContact O-N 3.14Å; A411-F459 HydrophobicContact CB-CD2 3.98Å; A411-F459 HydrophobicContact CB-CE2 3.71Å; A411-K462 HydrophobicContact CB-CB 3.68Å; A411-L463 HydrophobicContact CB-CD2 3.86Å; A411-L463 HydrophobicContact CB-CG 4.05Å
412A98.9Very high98.6Very high0 Ų022.1 Ų22.10%010%0.103CC..Hα-helixtrans-68.1-47.2178.600000112.1G337 L338 H341 M345 A408 L410 D415 G416 F459G337-A412 CarbonylContact C-O 3.35Å; G337-A412 VanDerWaalsContact CA-O 3.26Å; G337-A412 WeakPolarHBondContact CA-O 3.24Å; L338-A412 HydrophobicContact CD2-CB 3.99Å; H341-A412 HydrophobicContact CB-CB 3.8Å; M345-A412 HydrophobicContact CE-CB 4.48Å; M345-A412 HydrophobicContact CG-CB 4.34Å; M345-A412 HydrophobicContact SD-CB 3.64Å; A408-A412 WeakPolarHBondContact O-CB 3.42Å; A408-A412 PolarHBondContact O-N 3.18Å; L410-A412 VanDerWaalsContact C-N 3.34Å; L410-A412 PolarHBondContact O-N 3.01Å; A412-D415 PolarHBondContact O-N 2.8Å; A412-G416 PolarHBondContact O-N 3.06Å; A412-F459 HydrophobicContact CB-CD2 4.24Å; A412-F459 HydrophobicContact CB-CE2 3.9Å
413G98.8Very high98.6Very high0 Ų023 Ų230%011%0.109CC..Hα-helixtrans-64.7-40.5179.200000113.5W334 T409 L410 D415 G416 L417W334-G413 VanDerWaalsContact CD2-CA 3.46Å; T409-G413 PolarHBondContact O-N 2.99Å; L410-G413 PolarHBondContact O-N 3.48Å; G413-D415 VanDerWaalsContact C-N 3.34Å; G413-D415 PolarHBondContact O-N 3.35Å; G413-G416 PolarHBondContact O-N 2.75Å; G413-L417 WeakPolarHBondContact O-CG 3.17Å; G413-L417 PolarHBondContact O-N 2.78Å
414L98.8Very high98.4Very high0 Ų024.7 Ų24.70%012%0.12CC..Hα-helixtrans-62.6-40.5174.5-76.3167.7000111.6L156 E159 L160 Y164 L410 G416 L417 D418L156-L414 HydrophobicContact CB-CD1 4.43Å; L156-L414 HydrophobicContact CD2-CD1 3.93Å; E159-L414 HydrophobicContact CB-CD1 4.24Å; E159-L414 HydrophobicContact CG-CD1 4.2Å; E159-L414 HydrophobicContact CG-CD2 4.47Å; L160-L414 HydrophobicContact CB-CD2 4.16Å; L160-L414 HydrophobicContact CD1-CD2 3.95Å; Y164-L414 HydrophobicContact CD2-CD2 3.86Å; Y164-L414 HydrophobicContact CE2-CD2 3.84Å; L410-L414 WeakPolarHBondContact O-CB 3.43Å; L410-L414 WeakPolarHBondContact O-CD1 3.38Å; L410-L414 WeakPolarHBondContact O-CG 3.46Å; L410-L414 PolarHBondContact O-N 3.42Å; L414-G416 VanDerWaalsContact C-N 3.34Å; L414-L417 PolarHBondContact O-N 3.41Å; L414-D418 WeakPolarHBondContact O-CB 3.33Å; L414-D418 VanDerWaalsContact O-CG 3.24Å; L414-D418 PolarHBondContact O-N 2.88Å
415D98.8Very high98.2Very high5 Ų529 Ų293%0.02715%0.148CC..Hα-helixtrans-62.7-42.4173.7-179.668000112.3H341 A411 A412 G413 L417 D418 R419 L421 I458H341-D415 IonicContact CD2-OD2 2.87Å; H341-D415 IonicContact CE1-OD2 3.34Å; H341-D415 WeakPolarHBondContact NE2-CB 3.25Å; H341-D415 IonicContact NE2-OD2 3.88Å; H341-D415 PolarHBondContact NE2-OD2 3.08Å; A411-D415 PolarHBondContact O-N 2.84Å; A411-D415 VanDerWaalsContact O-N 3.14Å; A412-D415 PolarHBondContact O-N 2.8Å; G413-D415 VanDerWaalsContact C-N 3.34Å; G413-D415 PolarHBondContact O-N 3.35Å; D415-L417 VanDerWaalsContact C-N 3.28Å; D415-L417 PolarHBondContact O-N 3.16Å; D415-D418 WeakPolarHBondContact O-CB 2.82Å; D415-D418 PolarHBondContact O-N 2.77Å; D415-D418 VanDerWaalsContact O-N 3.09Å; D415-R419 VanDerWaalsContact CG-NE 3.3Å; D415-R419 PolarHBondContact O-N 3.27Å; D415-R419 IonicContact OD1-CZ 3.72Å; D415-R419 IonicContact OD1-NE 3.95Å; D415-R419 PolarHBondContact OD1-NE 3.2Å; D415-R419 IonicContact OD2-CZ 3.82Å; D415-R419 IonicContact OD2-NE 3.11Å; D415-R419 PolarHBondContact OD2-NE 3.31Å; D415-R419 IonicContact OD2-NH2 2.9Å; D415-R419 PolarHBondContact OD2-NH2 3.1Å; D415-L421 WeakPolarHBondContact OD2-CD1 3.4Å; D415-I458 HydrophobicContact CB-CG2 4.23Å; D415-I458 VanDerWaalsContact CG-CG2 3.4Å; D415-I458 WeakPolarHBondContact OD1-CG2 3.38Å
416G98.8Very high98Very high0 Ų031.8 Ų31.80%017%0.166CC..Hα-helixtrans-54.6-43.217300000113.2H333 A412 G413 L414 Q420 L421H333-G416 CarbonylContact O-C 3.58Å; H333-G416 WeakPolarHBondContact O-CA 3.48Å; A412-G416 PolarHBondContact O-N 3.06Å; G413-G416 PolarHBondContact O-N 2.75Å; L414-G416 VanDerWaalsContact C-N 3.34Å; G416-Q420 VanDerWaalsContact O-CA 3.29Å; G416-Q420 WeakPolarHBondContact O-CA 3.23Å; G416-Q420 PolarHBondContact O-N 2.69Å; G416-L421 PolarHBondContact O-N 3.1Å
417L98.7Very high97.6Very high15 Ų1533.2 Ų33.28%0.07918%0.18CC..Hα-helixtrans-69.8-37.2174.6-63.6176.6000113.2Y164 L166 T330 H333 W334 G413 L414 D415Y164-L417 HydrophobicContact CD1-CD1 4.25Å; Y164-L417 HydrophobicContact CD2-CD1 4.08Å; Y164-L417 HydrophobicContact CE1-CB 3.84Å; Y164-L417 HydrophobicContact CE1-CD1 4.36Å; Y164-L417 HydrophobicContact CE2-CB 4.06Å; Y164-L417 HydrophobicContact CE2-CD1 4.18Å; Y164-L417 HydrophobicContact CG-CD1 4.12Å; Y164-L417 PolarHBondContact OH-O 2.83Å; L166-L417 HydrophobicContact CD1-CD1 4.19Å; T330-L417 HydrophobicContact CG2-CD2 3.89Å; H333-L417 HydrophobicContact CB-CD2 3.9Å; W334-L417 HydrophobicContact CE3-CD1 3.81Å; W334-L417 HydrophobicContact CE3-CG 4.06Å; W334-L417 HydrophobicContact CZ3-CD1 3.98Å; G413-L417 WeakPolarHBondContact O-CG 3.17Å; G413-L417 PolarHBondContact O-N 2.78Å; L414-L417 PolarHBondContact O-N 3.41Å; D415-L417 VanDerWaalsContact C-N 3.28Å; D415-L417 PolarHBondContact O-N 3.16Å
418D98.5Very high97.2Very high58 Ų5836.3 Ų36.331%0.3120%0.195SC..Hα-helixtrans-65.8-44.9179.3-79.720.8000111.5K163 Y164 L414 D415 K462K163-D418 IonicContact NZ-OD1 2.7Å; K163-D418 PolarHBondContact NZ-OD1 3.34Å; K163-D418 IonicContact NZ-OD2 2.97Å; K163-D418 PolarHBondContact NZ-OD2 3.33Å; Y164-D418 WeakPolarHBondContact OH-CA 3.11Å; Y164-D418 PolarHBondContact OH-N 2.88Å; Y164-D418 PolarHBondContact OH-OD1 2.63Å; L414-D418 WeakPolarHBondContact O-CB 3.33Å; L414-D418 VanDerWaalsContact O-CG 3.24Å; L414-D418 PolarHBondContact O-N 2.88Å; D415-D418 WeakPolarHBondContact O-CB 2.82Å; D415-D418 PolarHBondContact O-N 2.77Å; D415-D418 VanDerWaalsContact O-N 3.09Å; D418-K462 VanDerWaalsContact CG-NZ 3.34Å; D418-K462 IonicContact OD1-NZ 2.69Å; D418-K462 WeakPolarHBondContact OD2-CE 3.07Å; D418-K462 IonicContact OD2-NZ 3.99Å; D418-K462 PolarHBondContact OD2-NZ 2.68Å
419R98.5Very high96.5Very high93 Ų9340.1 Ų40.135%0.35121%0.211SC..Hα-helixtrans-97.3-1.9-174.9-65.7-164.6-68.5149.1-9113.9E340 D415 L421E340-R419 IonicContact OE1-NH1 2.99Å; E340-R419 IonicContact OE1-NH2 2.88Å; D415-R419 VanDerWaalsContact CG-NE 3.3Å; D415-R419 PolarHBondContact O-N 3.27Å; D415-R419 IonicContact OD1-CZ 3.72Å; D415-R419 IonicContact OD1-NE 3.95Å; D415-R419 PolarHBondContact OD1-NE 3.2Å; D415-R419 IonicContact OD2-CZ 3.82Å; D415-R419 IonicContact OD2-NE 3.11Å; D415-R419 PolarHBondContact OD2-NE 3.31Å; D415-R419 IonicContact OD2-NH2 2.9Å; D415-R419 PolarHBondContact OD2-NH2 3.1Å; R419-L421 VanDerWaalsContact C-N 3.33Å; R419-L421 HydrophobicContact CB-CD2 3.79Å; R419-L421 HydrophobicContact CB-CG 3.86Å; R419-L421 PolarHBondContact O-N 3.49Å
420Q98.5Very high95.6Very high138 Ų13843.5 Ų43.565%0.64523%0.233SC*.THydrogen-bonded Turntrans53.849.9-177.1-60.6-179.94.300111.4H333 G416 E422H333-Q420 VanDerWaalsContact CD2-C 3.41Å; H333-Q420 WeakPolarHBondContact NE2-CB 3.12Å; G416-Q420 VanDerWaalsContact O-CA 3.29Å; G416-Q420 WeakPolarHBondContact O-CA 3.23Å; G416-Q420 PolarHBondContact O-N 2.69Å; Q420-E422 PolarHBondContact O-N 2.89Å
421L98.6Very high94.4Very high32 Ų3246 Ų4617%0.16825%0.251CS..PPolyproline II helixtrans-74.3120.8-174.8-62.4178.6000110.8H333 G336 E340 D415 G416 R419H333-L421 VanDerWaalsContact CA-O 3.29Å; H333-L421 WeakPolarHBondContact CA-O 3.36Å; G336-L421 WeakPolarHBondContact CA-O 3.5Å; E340-L421 HydrophobicContact CB-CD1 4.04Å; E340-L421 HydrophobicContact CG-CD1 4.19Å; D415-L421 WeakPolarHBondContact OD2-CD1 3.4Å; G416-L421 PolarHBondContact O-N 3.1Å; R419-L421 VanDerWaalsContact C-N 3.33Å; R419-L421 HydrophobicContact CB-CD2 3.79Å; R419-L421 HydrophobicContact CB-CG 3.86Å; R419-L421 PolarHBondContact O-N 3.49Å
422E97.9Very high92.7Very high118 Ų11855.7 Ų55.755%0.55130%0.296SS*.PPolyproline II helixtrans-81.2132172-70.3-61.615700110.7H333 Q420H333-E422 IonicContact CD2-OE1 3.08Å; H333-E422 IonicContact NE2-OE1 3.78Å; H333-E422 PolarHBondContact NE2-OE1 2.62Å; Q420-E422 PolarHBondContact O-N 2.89Å
423P97.2Very high91Very high19 Ų1958.2 Ų58.212%0.12331%0.314CS..PPolyproline II helixtrans-72155.8174.533-33000109.9R332 I335 W370R332-P423 HydrophobicContact CB-CG 4.4Å; R332-P423 WeakPolarHBondContact O-CD 3.35Å; I335-P423 HydrophobicContact CB-CB 4.26Å; I335-P423 HydrophobicContact CB-CG 4.37Å; I335-P423 HydrophobicContact CG2-CB 3.74Å; I335-P423 HydrophobicContact CG2-CG 4.25Å; W370-P423 HydrophobicContact CZ2-CB 4.1Å; W370-P423 HydrophobicContact CZ2-CG 3.82Å
424P94.7Very high88.9Confident36 Ų3667.9 Ų67.923%0.23436%0.356CS..PPolyproline II helixtrans-61.8165.6171.229.2-35.6000110.5I339 W370I339-P424 HydrophobicContact CG2-CG 4.06Å; W370-P424 PolarHBondContact NE1-O 2.8Å
425P94.1Very high86.8Confident91 Ų9173.6 Ų73.659%0.59139%0.385SS*.PPolyproline II helixtrans-50.3138.9171.7-27.834.8000112.2
426P94.8Very high84.5Confident60 Ų6081.7 Ų81.739%0.3942%0.423SS..THydrogen-bonded Turntrans-65.2157.7179.728.5-35.6000111.6W370 F372 Q428W370-P426 HydrophobicContact CD2-CB 4.29Å; W370-P426 HydrophobicContact CE3-CB 4.31Å; W370-P426 HydrophobicContact CH2-CB 3.94Å; W370-P426 HydrophobicContact CH2-CG 4.29Å; W370-P426 HydrophobicContact CZ2-CB 3.87Å; W370-P426 HydrophobicContact CZ2-CG 4.27Å; W370-P426 HydrophobicContact CZ3-CB 4.15Å; F372-P426 HydrophobicContact CD2-CB 4.22Å; F372-P426 HydrophobicContact CD2-CG 4.41Å; F372-P426 HydrophobicContact CE2-CB 4.26Å; F372-P426 HydrophobicContact CE2-CG 4.16Å; P426-Q428 PolarHBondContact O-N 3.38Å
427G91.1Very high82.6Confident29 Ų2989.4 Ų89.430%0.29946%0.464SS..THydrogen-bonded Turntrans81.110.7172.200000115.3W370 D371 K429W370-G427 PolarHBondContact O-N 2.96Å; D371-G427 VanDerWaalsContact CG-CA 3.44Å; D371-G427 VanDerWaalsContact OD2-CA 3.28Å; D371-G427 WeakPolarHBondContact OD2-CA 3.18Å; G427-K429 PolarHBondContact O-N 2.91Å
428Q90.1Very high81.5Confident67 Ų6794.1 Ų94.131%0.31349%0.486SS..  trans-62.2130.5172.4-70.3-174.71.300111.4N369 P426 V439N369-Q428 WeakPolarHBondContact CB-O 3.48Å; N369-Q428 PolarHBondContact ND2-O 2.72Å; P426-Q428 PolarHBondContact O-N 3.38Å; Q428-V439 HydrophobicContact CB-CB 4.4Å; Q428-V439 HydrophobicContact CB-CG2 4.29Å
429K84.1Confident81Confident80 Ų8091.8 Ų91.835%0.34847%0.473SS..  trans-125.8150.4-179.6-61.9-60.9-178.4179.40111.6D374 F376 G427 S431 V439D374-K429 IonicContact OD1-NZ 2.61Å; D374-K429 WeakPolarHBondContact OD2-CE 3.36Å; D374-K429 IonicContact OD2-NZ 3.55Å; D374-K429 PolarHBondContact OD2-NZ 3.03Å; F376-K429 PolarHBondContact O-NZ 3.09Å; G427-K429 PolarHBondContact O-N 2.91Å; K429-S431 PolarHBondContact O-N 3.24Å; K429-V439 VanDerWaalsContact C-CG1 3.46Å
430P79.4Confident80.6Confident71 Ų7193.6 Ų93.646%0.46148%0.484SS..  trans-57.5127.4167.7-2233.1000109.8A367 V439 M441A367-P430 HydrophobicContact CB-CG 3.73Å; P430-V439 HydrophobicContact CB-CG1 4.14Å; P430-V439 HydrophobicContact CG-CG1 3.8Å; P430-V439 VanDerWaalsContact N-CG1 3.28Å; P430-M441 HydrophobicContact CB-SD 4.05Å; P430-M441 HydrophobicContact CG-CE 4.26Å; P430-M441 HydrophobicContact CG-SD 3.87Å
431S73.3Confident80.3Confident55 Ų5591.4 Ų91.439%0.38548%0.475SS..  trans-108.1146.8169.868.30000109.8K429 S433K429-S431 PolarHBondContact O-N 3.24Å; S431-S433 WeakPolarHBondContact CB-OG 3.14Å; S431-S433 PolarHBondContact O-N 3.1Å; S431-S433 PolarHBondContact OG-O 3.13Å; S431-S433 PolarHBondContact OG-OG 2.86Å; S431-S433 VanDerWaalsContact OG-OG 3.12Å
432E63.6Low80.2Confident203 Ų20390.1 Ų90.195%0.94947%0.468SS*.SBendtrans-71.2-16.3169.8-64.7-172.8167.700112
433S61.7Low80Confident53 Ų5385 Ų8537%0.37145%0.445SS..SBendtrans-79.6134.7-17961.10000112.2S431 I435 Q438S431-S433 WeakPolarHBondContact CB-OG 3.14Å; S431-S433 PolarHBondContact O-N 3.1Å; S431-S433 PolarHBondContact OG-O 3.13Å; S431-S433 PolarHBondContact OG-OG 2.86Å; S431-S433 VanDerWaalsContact OG-OG 3.12Å; S433-I435 PolarHBondContact O-N 2.8Å; S433-Q438 PolarHBondContact O-NE2 3.47Å
434K55.9Low79.8Confident203 Ų20385.3 Ų85.388%0.88345%0.447SS*.  trans-75.831.3178.9-69.2-174.3174.3-178.30114.6
435I53.5Low79.8Confident119 Ų11984.6 Ų84.661%0.6144%0.444SS*.  trans-81.3144.6-176.6-55173.7000109.2S433 N437S433-I435 PolarHBondContact O-N 2.8Å; I435-N437 PolarHBondContact O-N 3.14Å
436E51.4Low79.8Confident176 Ų17680.3 Ų80.382%0.82242%0.416SS*.SBendtrans-49.9134.6167.9-68.3173.916300109.3
437N58.8Low79.9Confident162 Ų16280.6 Ų80.687%0.86641%0.412SS*.  trans9430.4-167.4-48-38.6000116.6I435 V439I435-N437 PolarHBondContact O-N 3.14Å; N437-V439 PolarHBondContact O-N 2.9Å
438Q75.9Confident80.1Confident113 Ų11383.4 Ų83.453%0.52842%0.417SS..PPolyproline II helixtrans-67.6129.1166.1-70.8-167.4-13.800111S433S433-Q438 PolarHBondContact O-NE2 3.47Å
439V87Confident80.5Confident9 Ų980.2 Ų80.26%0.05540%0.402CS..PPolyproline II helixtrans-60.5136.4169.167.80000109.8A367 V368 N369 Q428 K429 P430 N437 M441A367-V439 HydrophobicContact CB-CB 4.5Å; A367-V439 HydrophobicContact CB-CG1 3.77Å; A367-V439 HydrophobicContact CB-CG2 3.84Å; V368-V439 VanDerWaalsContact O-CG2 3.24Å; V368-V439 WeakPolarHBondContact O-CG2 3.36Å; N369-V439 HydrophobicContact CB-CG2 4.01Å; Q428-V439 HydrophobicContact CB-CB 4.4Å; Q428-V439 HydrophobicContact CB-CG2 4.29Å; K429-V439 VanDerWaalsContact C-CG1 3.46Å; P430-V439 HydrophobicContact CB-CG1 4.14Å; P430-V439 HydrophobicContact CG-CG1 3.8Å; P430-V439 VanDerWaalsContact N-CG1 3.28Å; N437-V439 PolarHBondContact O-N 2.9Å; V439-M441 PolarHBondContact O-N 2.95Å
440K91.4Very high81.1Confident131 Ų13176.6 Ų76.657%0.5739%0.387SS*.PPolyproline II helixtrans-64.2132.8176.7-179.8177.7-180-179.60109.5P343 A367 V368P343-K440 HydrophobicContact CG-CD 4.47Å; A367-K440 WeakPolarHBondContact CA-O 3.28Å; V368-K440 HydrophobicContact CB-CB 4.11Å; V368-K440 WeakPolarHBondContact CB-O 3.48Å; V368-K440 HydrophobicContact CG2-CB 4.23Å; V368-K440 HydrophobicContact CG2-CD 4.3Å; V368-K440 HydrophobicContact CG2-CG 4.09Å; V368-K440 PolarHBondContact N-O 3.28Å
441M92.5Very high82Confident92 Ų9277.7 Ų77.745%0.45339%0.386SS..BIsolated β-bridgetrans-80.9148.2176.1-62.4-56-69.400111.1G366 A367 P430 V439G366-M441 WeakPolarHBondContact O-CE 3.5Å; A367-M441 HydrophobicContact CB-SD 4.2Å; P430-M441 HydrophobicContact CB-SD 4.05Å; P430-M441 HydrophobicContact CG-CE 4.26Å; P430-M441 HydrophobicContact CG-SD 3.87Å; V439-M441 PolarHBondContact O-N 2.95Å
442L94.7Very high83.2Confident6 Ų676.5 Ų76.53%0.03138%0.377CS..PPolyproline II helixtrans-72.3151.3171.8-73.3170.8000110.7L342 L346 P365 G366 V368 A378 I395 S444L342-L442 HydrophobicContact CB-CD2 4.15Å; L346-L442 HydrophobicContact CD2-CB 4.22Å; P365-L442 HydrophobicContact CB-CD1 4.14Å; G366-L442 PolarHBondContact O-N 2.81Å; V368-L442 HydrophobicContact CG2-CD2 3.75Å; V368-L442 HydrophobicContact CG2-CG 4.27Å; A378-L442 HydrophobicContact CB-CD1 4.49Å; I395-L442 HydrophobicContact CG2-CD1 4.43Å; L442-S444 PolarHBondContact O-N 3.48Å
443P94.8Very high84.9Confident10 Ų1066.9 Ų66.97%0.06533%0.332CS..PPolyproline II helixtrans-51.3140.1172.8-25.932.3000112.7P343 L346 E448 A449P343-P443 HydrophobicContact CB-CG 4.05Å; L346-P443 HydrophobicContact CD2-CB 3.96Å; L346-P443 HydrophobicContact CD2-CG 4.09Å; L346-P443 WeakPolarHBondContact CD2-O 3.47Å; P443-E448 HydrophobicContact CB-CB 3.79Å; P443-A449 HydrophobicContact CB-CB 3.91Å; P443-A449 HydrophobicContact CG-CB 4.22Å
444S92.3Very high86.6Confident25 Ų2568 Ų6818%0.17533%0.33CS..SBendtrans-100.4-0-174.778.10000114L442 E448 K489L442-S444 PolarHBondContact O-N 3.48Å; S444-E448 WeakPolarHBondContact CA-OE2 3.15Å; S444-E448 PolarHBondContact N-OE2 3.42Å; S444-E448 PolarHBondContact OG-OE1 2.87Å; S444-E448 PolarHBondContact OG-OE2 3.01Å; S444-K489 PolarHBondContact OG-NZ 3.36Å
445S94.3Very high88.6Confident22 Ų2264.6 Ų64.615%0.15432%0.318CS..SBendtrans-150.5160.7177.6660000111.4Y356 Q447 E448 A449Y356-S445 VanDerWaalsContact CE1-C 3.41Å; Y356-S445 VanDerWaalsContact CE1-O 3.25Å; Y356-S445 WeakPolarHBondContact CE1-O 3.47Å; S445-Q447 PolarHBondContact O-N 3.08Å; S445-E448 PolarHBondContact O-N 2.96Å; S445-E448 WeakPolarHBondContact OG-CG 3.34Å; S445-E448 PolarHBondContact OG-N 3.19Å; S445-A449 PolarHBondContact O-N 3.42Å
446L95.7Very high90.8Very high1 Ų160.2 Ų60.21%0.00530%0.296CS..Hα-helixtrans-61.2-34.3175.1179.459.4000111.4Y356 A449 L450 D479 L480Y356-L446 HydrophobicContact CD2-CB 4Å; Y356-L446 VanDerWaalsContact CE2-CA 3.41Å; Y356-L446 HydrophobicContact CE2-CB 3.58Å; Y356-L446 HydrophobicContact CE2-CD1 3.96Å; Y356-L446 HydrophobicContact CE2-CG 4.36Å; L446-A449 PolarHBondContact O-N 2.67Å; L446-L450 HydrophobicContact CD1-CD1 4.06Å; L446-L450 HydrophobicContact CD1-CG 4.02Å; L446-L450 HydrophobicContact CG-CD1 3.86Å; L446-L450 HydrophobicContact CG-CG 4.3Å; L446-L450 WeakPolarHBondContact O-CB 3.15Å; L446-L450 VanDerWaalsContact O-CG 3.3Å; L446-L450 WeakPolarHBondContact O-CG 3.14Å; L446-L450 PolarHBondContact O-N 3.26Å; L446-D479 HydrophobicContact CD2-CB 3.65Å; L446-L480 HydrophobicContact CB-CD2 4.11Å; L446-L480 HydrophobicContact CD2-CD2 3.88Å; L446-L480 HydrophobicContact CD2-CG 4.31Å; L446-L480 HydrophobicContact CG-CD2 3.98Å; L446-L480 HydrophobicContact CG-CG 4.49Å
447Q96Very high93Very high65 Ų6559.2 Ų59.230%0.30429%0.291SS..Hα-helixtrans-61.7-50.3176.4-65.182.1-17.200111.2S445 A449 L450 Q451 L480 G484S445-Q447 PolarHBondContact O-N 3.08Å; Q447-A449 VanDerWaalsContact C-N 3.31Å; Q447-A449 PolarHBondContact O-N 3.32Å; Q447-L450 PolarHBondContact O-N 2.87Å; Q447-Q451 WeakPolarHBondContact O-CB 3.25Å; Q447-Q451 PolarHBondContact O-N 2.8Å; Q447-L480 HydrophobicContact CG-CD1 3.92Å; Q447-L480 HydrophobicContact CG-CD2 3.65Å; Q447-L480 HydrophobicContact CG-CG 4.45Å; Q447-G484 VanDerWaalsContact NE2-CA 3.27Å; Q447-G484 PolarHBondContact NE2-O 3.38Å
448E96.2Very high94.8Very high89 Ų8954.7 Ų54.742%0.41627%0.266SS..Hα-helixtrans-64.1-37.5178-72.3166.2-156.700111.7P443 S444 S445 Q451 S452P443-E448 HydrophobicContact CB-CB 3.79Å; S444-E448 WeakPolarHBondContact CA-OE2 3.15Å; S444-E448 PolarHBondContact N-OE2 3.42Å; S444-E448 PolarHBondContact OG-OE1 2.87Å; S444-E448 PolarHBondContact OG-OE2 3.01Å; S445-E448 PolarHBondContact O-N 2.96Å; S445-E448 WeakPolarHBondContact OG-CG 3.34Å; S445-E448 PolarHBondContact OG-N 3.19Å; E448-Q451 PolarHBondContact O-N 2.8Å; E448-S452 WeakPolarHBondContact O-CB 3.11Å; E448-S452 PolarHBondContact O-N 3.12Å; E448-S452 PolarHBondContact O-OG 3.36Å
449A97.4Very high95.9Very high0 Ų049.3 Ų49.30%024%0.241CC..Hα-helixtrans-69.9-42.5177.600000112.2L346 A347 Y356 P443 S445 L446 Q447 Q451 S452 L453L346-A449 HydrophobicContact CB-CB 4.32Å; A347-A449 HydrophobicContact CB-CB 3.95Å; Y356-A449 HydrophobicContact CE1-CB 3.85Å; Y356-A449 WeakPolarHBondContact OH-CB 3.48Å; P443-A449 HydrophobicContact CB-CB 3.91Å; P443-A449 HydrophobicContact CG-CB 4.22Å; S445-A449 PolarHBondContact O-N 3.42Å; L446-A449 PolarHBondContact O-N 2.67Å; Q447-A449 VanDerWaalsContact C-N 3.31Å; Q447-A449 PolarHBondContact O-N 3.32Å; A449-Q451 VanDerWaalsContact C-N 3.3Å; A449-Q451 PolarHBondContact O-N 3.3Å; A449-S452 WeakPolarHBondContact O-CB 3.23Å; A449-S452 PolarHBondContact O-N 3.02Å; A449-L453 WeakPolarHBondContact O-CB 3.22Å; A449-L453 PolarHBondContact O-N 3.22Å
450L97.8Very high96.4Very high3 Ų349.6 Ų49.62%0.01624%0.243CC..Hα-helixtrans-64.8-36.6174.8-76.7168.1000111.7A347 L446 Q447 L453 K454 T472 K475 E476 L480A347-L450 HydrophobicContact CB-CD2 4.17Å; A347-L450 HydrophobicContact CB-CG 4.45Å; L446-L450 HydrophobicContact CD1-CD1 4.06Å; L446-L450 HydrophobicContact CD1-CG 4.02Å; L446-L450 HydrophobicContact CG-CD1 3.86Å; L446-L450 HydrophobicContact CG-CG 4.3Å; L446-L450 WeakPolarHBondContact O-CB 3.15Å; L446-L450 VanDerWaalsContact O-CG 3.3Å; L446-L450 WeakPolarHBondContact O-CG 3.14Å; L446-L450 PolarHBondContact O-N 3.26Å; Q447-L450 PolarHBondContact O-N 2.87Å; L450-L453 HydrophobicContact CD2-CD2 4.39Å; L450-L453 PolarHBondContact O-N 3.33Å; L450-K454 WeakPolarHBondContact O-CG 3.43Å; L450-K454 PolarHBondContact O-N 3.45Å; L450-T472 HydrophobicContact CD2-CG2 4.35Å; L450-K475 HydrophobicContact CD1-CB 3.82Å; L450-K475 HydrophobicContact CD2-CB 3.86Å; L450-K475 HydrophobicContact CD2-CG 4.24Å; L450-K475 HydrophobicContact CG-CB 4.45Å; L450-E476 HydrophobicContact CD1-CG 4.37Å; L450-L480 HydrophobicContact CD1-CD1 3.59Å; L450-L480 HydrophobicContact CD1-CG 4.01Å
451Q98.1Very high96.7Very high95 Ų9551.6 Ų51.644%0.44425%0.251SS..Hα-helixtrans-62.6-47.3172.3-173.858.931.800110.7Q447 E448 A449 L453 K454 E455Q447-Q451 WeakPolarHBondContact O-CB 3.25Å; Q447-Q451 PolarHBondContact O-N 2.8Å; E448-Q451 PolarHBondContact O-N 2.8Å; A449-Q451 VanDerWaalsContact C-N 3.3Å; A449-Q451 PolarHBondContact O-N 3.3Å; Q451-L453 VanDerWaalsContact C-N 3.28Å; Q451-L453 PolarHBondContact O-N 3.34Å; Q451-K454 PolarHBondContact O-N 3.17Å; Q451-K454 VanDerWaalsContact O-N 3.1Å; Q451-E455 WeakPolarHBondContact CG-OE1 3.05Å; Q451-E455 PolarHBondContact NE2-OE1 3.4Å; Q451-E455 WeakPolarHBondContact O-CG 3.41Å; Q451-E455 PolarHBondContact O-N 3.3Å
452S98.2Very high97Very high29 Ų2948.3 Ų48.320%0.20323%0.234CC..Hα-helixtrans-57.9-40.7175-56.60000111.8E448 A449 E455 D456E448-S452 WeakPolarHBondContact O-CB 3.11Å; E448-S452 PolarHBondContact O-N 3.12Å; E448-S452 PolarHBondContact O-OG 3.36Å; A449-S452 WeakPolarHBondContact O-CB 3.23Å; A449-S452 PolarHBondContact O-N 3.02Å; S452-E455 PolarHBondContact O-N 3.03Å; S452-D456 WeakPolarHBondContact O-CB 3.39Å; S452-D456 PolarHBondContact O-N 3.24Å; S452-D456 VanDerWaalsContact O-N 3.16Å
453L98.5Very high97.1Very high1 Ų148.2 Ų48.21%0.00523%0.234CC..Hα-helixtrans-63-41.8175.5178.162.9000112.1A344 A347 I348 A449 L450 Q451 D456 F459 T460 L463 F468 Y471 T472A344-L453 HydrophobicContact CB-CB 4.38Å; A344-L453 HydrophobicContact CB-CD1 4.22Å; A347-L453 HydrophobicContact CB-CB 4Å; A347-L453 HydrophobicContact CB-CD2 3.94Å; I348-L453 HydrophobicContact CD1-CD1 4.02Å; I348-L453 HydrophobicContact CD1-CD2 4.38Å; I348-L453 HydrophobicContact CG1-CD1 4.47Å; I348-L453 HydrophobicContact CG1-CD2 4.14Å; A449-L453 WeakPolarHBondContact O-CB 3.22Å; A449-L453 PolarHBondContact O-N 3.22Å; L450-L453 HydrophobicContact CD2-CD2 4.39Å; L450-L453 PolarHBondContact O-N 3.33Å; Q451-L453 VanDerWaalsContact C-N 3.28Å; Q451-L453 PolarHBondContact O-N 3.34Å; L453-D456 PolarHBondContact O-N 2.8Å; L453-F459 HydrophobicContact CD1-CD1 3.64Å; L453-F459 HydrophobicContact CD1-CE1 3.71Å; L453-T460 HydrophobicContact CD1-CG2 3.92Å; L453-T460 HydrophobicContact CG-CG2 4.32Å; L453-T460 WeakPolarHBondContact O-CG2 3.39Å; L453-L463 HydrophobicContact CD1-CD1 4.25Å; L453-F468 HydrophobicContact CD2-CD2 4.34Å; L453-F468 HydrophobicContact CD2-CE2 4.32Å; L453-F468 HydrophobicContact CG-CD2 4.23Å; L453-F468 HydrophobicContact CG-CE2 3.97Å; L453-Y471 HydrophobicContact CD2-CD1 4.26Å; L453-Y471 HydrophobicContact CD2-CE1 4.34Å; L453-T472 HydrophobicContact CD2-CG2 3.94Å
454K98.2Very high97.2Very high76 Ų7648.5 Ų48.533%0.3324%0.238SC..Hα-helixtrans-69.7-32.6179.1-73176.9175.1-164.50113.2L450 Q451 D456 F468 E476L450-K454 WeakPolarHBondContact O-CG 3.43Å; L450-K454 PolarHBondContact O-N 3.45Å; Q451-K454 PolarHBondContact O-N 3.17Å; Q451-K454 VanDerWaalsContact O-N 3.1Å; K454-D456 VanDerWaalsContact C-N 3.34Å; K454-F468 HydrophobicContact CG-CE2 4.35Å; K454-F468 HydrophobicContact CG-CZ 4.1Å; K454-E476 WeakPolarHBondContact CE-OE1 3.36Å; K454-E476 IonicContact NZ-OE1 3.48Å; K454-E476 PolarHBondContact NZ-OE1 3.25Å; K454-E476 IonicContact NZ-OE2 3.56Å; K454-E476 PolarHBondContact NZ-OE2 3.34Å
455E98.3Very high97.4Very high132 Ų13253.7 Ų53.762%0.61726%0.258SS*.Hα-helixtrans-76.8-22.5178.4-71.2172.3179.400112.7Q451 S452 E457Q451-E455 WeakPolarHBondContact CG-OE1 3.05Å; Q451-E455 PolarHBondContact NE2-OE1 3.4Å; Q451-E455 WeakPolarHBondContact O-CG 3.41Å; Q451-E455 PolarHBondContact O-N 3.3Å; S452-E455 PolarHBondContact O-N 3.03Å; E455-E457 PolarHBondContact O-N 2.62Å; E455-E457 VanDerWaalsContact O-N 3.1Å
456D98.5Very high97.5Very high28 Ų2854.5 Ų54.515%0.1526%0.26CS..  trans-85.476.6179.6-161.1-27.1000112.2H341 A344 S452 L453 K454 I458 F459 T460H341-D456 IonicContact CE1-OD1 3.38Å; H341-D456 PolarHBondContact CE1-OD1 3.2Å; H341-D456 VanDerWaalsContact CE1-OD1 3.31Å; H341-D456 IonicContact CE1-OD2 2.84Å; H341-D456 IonicContact CG-OD2 2.92Å; H341-D456 VanDerWaalsContact ND1-CG 3.31Å; H341-D456 IonicContact ND1-OD1 2.71Å; H341-D456 PolarHBondContact ND1-OD1 3.14Å; H341-D456 IonicContact ND1-OD2 2.83Å; H341-D456 PolarHBondContact ND1-OD2 2.76Å; A344-D456 HydrophobicContact CB-CB 3.8Å; S452-D456 WeakPolarHBondContact O-CB 3.39Å; S452-D456 PolarHBondContact O-N 3.24Å; S452-D456 VanDerWaalsContact O-N 3.16Å; L453-D456 PolarHBondContact O-N 2.8Å; K454-D456 VanDerWaalsContact C-N 3.34Å; D456-I458 PolarHBondContact O-N 3.2Å; D456-F459 HydrophobicContact CB-CB 3.99Å; D456-F459 PolarHBondContact O-N 3.46Å; D456-F459 WeakPolarHBondContact OD1-CB 3.43Å; D456-F459 PolarHBondContact OD1-N 2.52Å; D456-F459 WeakPolarHBondContact OD2-CB 3.26Å; D456-T460 WeakPolarHBondContact O-CB 3.36Å; D456-T460 WeakPolarHBondContact O-CG2 3.45Å; D456-T460 PolarHBondContact O-N 2.98Å; D456-T460 PolarHBondContact O-OG1 3.16Å
457E98.1Very high97.6Very high155 Ų15554.6 Ų54.672%0.72426%0.261SS*.Hα-helixtrans-61-31.7-177.7-64-171.9176.700113.3E455 T460 K461E455-E457 PolarHBondContact O-N 2.62Å; E455-E457 VanDerWaalsContact O-N 3.1Å; E457-T460 VanDerWaalsContact CA-OG1 3.3Å; E457-T460 WeakPolarHBondContact CA-OG1 3.24Å; E457-T460 PolarHBondContact O-OG1 3.49Å; E457-K461 WeakPolarHBondContact O-CB 3.44Å; E457-K461 PolarHBondContact O-N 3.12Å
458I97.9Very high97.6Very high67 Ų6753.2 Ų53.234%0.34425%0.254SS..Hα-helixtrans-71.2-48.9-179.2-65.9178.6000109.1D415 D456 K461 K462D415-I458 HydrophobicContact CB-CG2 4.23Å; D415-I458 VanDerWaalsContact CG-CG2 3.4Å; D415-I458 WeakPolarHBondContact OD1-CG2 3.38Å; D456-I458 PolarHBondContact O-N 3.2Å; I458-K461 PolarHBondContact O-N 3.36Å; I458-K462 PolarHBondContact O-N 3.01Å; I458-K462 VanDerWaalsContact O-N 3.07Å
459F98.1Very high97.7Very high0 Ų053.1 Ų53.10%025%0.253CS..Hα-helixtrans-64.2-45.4178.7-174.9-119.8000112.1H341 A344 M345 I348 A408 A411 A412 L453 D456 K461 K462 L463H341-F459 HydrophobicContact CB-CD2 3.95Å; H341-F459 HydrophobicContact CB-CE2 4.35Å; H341-F459 HydrophobicContact CB-CG 4.29Å; H341-F459 AromaticContact CG-CD2 3.92Å; A344-F459 HydrophobicContact CB-CD1 3.7Å; A344-F459 HydrophobicContact CB-CE1 4.06Å; A344-F459 HydrophobicContact CB-CG 4.49Å; M345-F459 HydrophobicContact CB-CZ 4.41Å; M345-F459 HydrophobicContact CG-CE1 4.24Å; M345-F459 HydrophobicContact CG-CE2 3.91Å; M345-F459 HydrophobicContact CG-CZ 3.57Å; I348-F459 HydrophobicContact CD1-CE1 3.79Å; I348-F459 HydrophobicContact CD1-CZ 4.15Å; A408-F459 HydrophobicContact CB-CZ 3.89Å; A408-F459 WeakPolarHBondContact O-CE2 3.27Å; A411-F459 HydrophobicContact CB-CD2 3.98Å; A411-F459 HydrophobicContact CB-CE2 3.71Å; A412-F459 HydrophobicContact CB-CD2 4.24Å; A412-F459 HydrophobicContact CB-CE2 3.9Å; L453-F459 HydrophobicContact CD1-CD1 3.64Å; L453-F459 HydrophobicContact CD1-CE1 3.71Å; D456-F459 HydrophobicContact CB-CB 3.99Å; D456-F459 PolarHBondContact O-N 3.46Å; D456-F459 WeakPolarHBondContact OD1-CB 3.43Å; D456-F459 PolarHBondContact OD1-N 2.52Å; D456-F459 WeakPolarHBondContact OD2-CB 3.26Å; F459-K461 VanDerWaalsContact C-N 3.32Å; F459-K461 PolarHBondContact O-N 2.87Å; F459-K462 WeakPolarHBondContact O-CB 3.33Å; F459-K462 PolarHBondContact O-N 2.97Å; F459-K462 VanDerWaalsContact O-N 3.15Å; F459-L463 HydrophobicContact CD1-CD1 3.88Å; F459-L463 HydrophobicContact CE1-CD1 3.61Å; F459-L463 HydrophobicContact CE1-CG 4.39Å; F459-L463 HydrophobicContact CG-CD1 4.48Å; F459-L463 HydrophobicContact CZ-CD1 3.97Å; F459-L463 HydrophobicContact CZ-CD2 4.41Å; F459-L463 HydrophobicContact CZ-CG 4.33Å; F459-L463 WeakPolarHBondContact O-CG 3.47Å; F459-L463 PolarHBondContact O-N 2.86Å
460T97.8Very high97.6Very high15 Ų1553.5 Ų53.59%0.09226%0.255CS..Hα-helixtrans-64.2-36.8178.552.60000112.2L453 D456 E457 L463 G464 F468L453-T460 HydrophobicContact CD1-CG2 3.92Å; L453-T460 HydrophobicContact CG-CG2 4.32Å; L453-T460 WeakPolarHBondContact O-CG2 3.39Å; D456-T460 WeakPolarHBondContact O-CB 3.36Å; D456-T460 WeakPolarHBondContact O-CG2 3.45Å; D456-T460 PolarHBondContact O-N 2.98Å; D456-T460 PolarHBondContact O-OG1 3.16Å; E457-T460 VanDerWaalsContact CA-OG1 3.3Å; E457-T460 WeakPolarHBondContact CA-OG1 3.24Å; E457-T460 PolarHBondContact O-OG1 3.49Å; T460-L463 PolarHBondContact O-N 3.2Å; T460-G464 PolarHBondContact O-N 3.16Å; T460-F468 HydrophobicContact CG2-CD1 4.29Å; T460-F468 HydrophobicContact CG2-CD2 3.36Å; T460-F468 HydrophobicContact CG2-CE1 4.26Å; T460-F468 HydrophobicContact CG2-CE2 3.32Å; T460-F468 HydrophobicContact CG2-CG 3.86Å; T460-F468 HydrophobicContact CG2-CZ 3.79Å
461K97.8Very high97.6Very high172 Ų17253.4 Ų53.475%0.74825%0.254SS*.Hα-helixtrans-63.1-40.6172.5-176.5179.6177.2-176.30112.4E457 I458 F459 G464E457-K461 WeakPolarHBondContact O-CB 3.44Å; E457-K461 PolarHBondContact O-N 3.12Å; I458-K461 PolarHBondContact O-N 3.36Å; F459-K461 VanDerWaalsContact C-N 3.32Å; F459-K461 PolarHBondContact O-N 2.87Å; K461-G464 PolarHBondContact O-N 3.07Å
462K97.5Very high97.5Very high23 Ų2349.4 Ų49.410%0.124%0.236CC..Hα-helixtrans-62.6-51176-76.9-71.5-171.9177.60111.4E159 A411 D418 I458 F459 G464E159-K462 IonicContact OE1-NZ 3.76Å; E159-K462 PolarHBondContact OE1-NZ 2.86Å; A411-K462 HydrophobicContact CB-CB 3.68Å; D418-K462 VanDerWaalsContact CG-NZ 3.34Å; D418-K462 IonicContact OD1-NZ 2.69Å; D418-K462 WeakPolarHBondContact OD2-CE 3.07Å; D418-K462 IonicContact OD2-NZ 3.99Å; D418-K462 PolarHBondContact OD2-NZ 2.68Å; I458-K462 PolarHBondContact O-N 3.01Å; I458-K462 VanDerWaalsContact O-N 3.07Å; F459-K462 WeakPolarHBondContact O-CB 3.33Å; F459-K462 PolarHBondContact O-N 2.97Å; F459-K462 VanDerWaalsContact O-N 3.15Å; K462-G464 PolarHBondContact O-N 3Å
463L97.6Very high97.4Very high5 Ų549.9 Ų49.93%0.02624%0.237CC..Hα-helixtrans-54.8-35.3176.2-71171.6000112.7I348 A407 A411 L453 F459 T460 F467I348-L463 HydrophobicContact CD1-CD1 3.36Å; I348-L463 HydrophobicContact CD1-CD2 4.25Å; I348-L463 HydrophobicContact CD1-CG 4.46Å; A407-L463 HydrophobicContact CB-CD2 4.08Å; A411-L463 HydrophobicContact CB-CD2 3.86Å; A411-L463 HydrophobicContact CB-CG 4.05Å; L453-L463 HydrophobicContact CD1-CD1 4.25Å; F459-L463 HydrophobicContact CD1-CD1 3.88Å; F459-L463 HydrophobicContact CE1-CD1 3.61Å; F459-L463 HydrophobicContact CE1-CG 4.39Å; F459-L463 HydrophobicContact CG-CD1 4.48Å; F459-L463 HydrophobicContact CZ-CD1 3.97Å; F459-L463 HydrophobicContact CZ-CD2 4.41Å; F459-L463 HydrophobicContact CZ-CG 4.33Å; F459-L463 WeakPolarHBondContact O-CG 3.47Å; F459-L463 PolarHBondContact O-N 2.86Å; T460-L463 PolarHBondContact O-N 3.2Å; L463-F467 HydrophobicContact CB-CD1 4.16Å; L463-F467 HydrophobicContact CD2-CD1 4.48Å; L463-F467 HydrophobicContact CD2-CE1 4.28Å
464G97.1Very high97.3Very high15 Ų1549.9 Ų49.916%0.15524%0.236CC..  trans100.9136179.900000111.7T460 K461 K462 D466 F467 F468T460-G464 PolarHBondContact O-N 3.16Å; K461-G464 PolarHBondContact O-N 3.07Å; K462-G464 PolarHBondContact O-N 3Å; G464-D466 PolarHBondContact O-N 2.85Å; G464-F467 PolarHBondContact O-N 2.75Å; G464-F468 PolarHBondContact O-N 2.94Å
465K96.2Very high97.2Very high134 Ų13446.4 Ų46.458%0.58322%0.221SC*.Hα-helixtrans-50.7-51.8-172.3-176.1-178.1176.9-177.50113.4F467 F468 E469K465-F467 PolarHBondContact O-N 3.1Å; K465-F468 PolarHBondContact O-N 2.97Å; K465-E469 VanDerWaalsContact CE-CD 3.43Å; K465-E469 WeakPolarHBondContact CE-OE1 3.47Å; K465-E469 HydrophobicContact CG-CG 4.23Å; K465-E469 IonicContact NZ-OE1 3.81Å; K465-E469 WeakPolarHBondContact O-CB 3.36Å; K465-E469 WeakPolarHBondContact O-CG 3.22Å; K465-E469 PolarHBondContact O-N 3.11Å
466D96.2Very high97Very high39 Ų3943.7 Ų43.721%0.20921%0.209CC..Hα-helixtrans-65.6-42.5-172.7-51.9-29000111.6K146 A147 G464 W470K146-D466 HydrophobicContact CB-CB 4.01Å; K146-D466 VanDerWaalsContact CB-OD2 3.27Å; K146-D466 WeakPolarHBondContact CB-OD2 3.41Å; K146-D466 WeakPolarHBondContact CD-OD2 3.18Å; A147-D466 HydrophobicContact CB-CB 4.22Å; G464-D466 PolarHBondContact O-N 2.85Å; D466-W470 WeakPolarHBondContact O-CB 3.5Å; D466-W470 VanDerWaalsContact O-CG 3.31Å; D466-W470 PolarHBondContact O-N 2.85Å; D466-W470 VanDerWaalsContact O-N 3.09Å
467F97.5Very high96.8Very high3 Ų347 Ų471%0.01323%0.226CC..Hα-helixtrans-62.5-50.1174.6174.4-99.3000111.1L38 A152 H404 L463 G464 K465 E469 W470 Y471L38-F467 HydrophobicContact CD2-CD2 4.12Å; L38-F467 HydrophobicContact CD2-CE2 4.02Å; A152-F467 HydrophobicContact CB-CB 4.06Å; A152-F467 HydrophobicContact CB-CD2 3.97Å; A152-F467 HydrophobicContact CB-CG 3.99Å; H404-F467 AromaticContact CD2-CE2 3.54Å; H404-F467 AromaticContact CD2-CZ 3.47Å; H404-F467 VanDerWaalsContact CD2-CZ 3.47Å; H404-F467 WeakPolarHBondContact CD2-CZ 3.36Å; H404-F467 AromaticContact NE2-CE2 3.51Å; H404-F467 AromaticContact NE2-CZ 3.8Å; L463-F467 HydrophobicContact CB-CD1 4.16Å; L463-F467 HydrophobicContact CD2-CD1 4.48Å; L463-F467 HydrophobicContact CD2-CE1 4.28Å; G464-F467 PolarHBondContact O-N 2.75Å; K465-F467 PolarHBondContact O-N 3.1Å; F467-E469 PolarHBondContact O-N 2.73Å; F467-W470 PolarHBondContact O-N 3.32Å; F467-Y471 HydrophobicContact CZ-CD2 4.15Å; F467-Y471 HydrophobicContact CZ-CG 4.35Å; F467-Y471 WeakPolarHBondContact O-CB 3.49Å; F467-Y471 PolarHBondContact O-N 3.44Å
468F97.7Very high96.6Very high37 Ų3740 Ų4016%0.16220%0.196CC..Hα-helixtrans-58.4-49.2179.6163.6-110.9000112.6L453 K454 T460 G464 K465 T472L453-F468 HydrophobicContact CD2-CD2 4.34Å; L453-F468 HydrophobicContact CD2-CE2 4.32Å; L453-F468 HydrophobicContact CG-CD2 4.23Å; L453-F468 HydrophobicContact CG-CE2 3.97Å; K454-F468 HydrophobicContact CG-CE2 4.35Å; K454-F468 HydrophobicContact CG-CZ 4.1Å; T460-F468 HydrophobicContact CG2-CD1 4.29Å; T460-F468 HydrophobicContact CG2-CD2 3.36Å; T460-F468 HydrophobicContact CG2-CE1 4.26Å; T460-F468 HydrophobicContact CG2-CE2 3.32Å; T460-F468 HydrophobicContact CG2-CG 3.86Å; T460-F468 HydrophobicContact CG2-CZ 3.79Å; G464-F468 PolarHBondContact O-N 2.94Å; K465-F468 PolarHBondContact O-N 2.97Å; F468-T472 HydrophobicContact CD2-CG2 3.76Å; F468-T472 HydrophobicContact CE2-CG2 3.44Å; F468-T472 VanDerWaalsContact CE2-CG2 3.44Å; F468-T472 HydrophobicContact CZ-CG2 4.18Å; F468-T472 WeakPolarHBondContact O-CB 3.43Å; F468-T472 WeakPolarHBondContact O-CG2 3.5Å; F468-T472 PolarHBondContact O-N 3.32Å; F468-T472 PolarHBondContact O-OG1 2.85Å
469E96.7Very high96.4Very high86 Ų8637.2 Ų37.240%0.40218%0.182SC..Hα-helixtrans-63.8-44.1-178.4-74.2-178.116900111.7K465 F467 T472 L473K465-E469 VanDerWaalsContact CE-CD 3.43Å; K465-E469 WeakPolarHBondContact CE-OE1 3.47Å; K465-E469 HydrophobicContact CG-CG 4.23Å; K465-E469 IonicContact NZ-OE1 3.81Å; K465-E469 WeakPolarHBondContact O-CB 3.36Å; K465-E469 WeakPolarHBondContact O-CG 3.22Å; K465-E469 PolarHBondContact O-N 3.11Å; F467-E469 PolarHBondContact O-N 2.73Å; E469-T472 PolarHBondContact O-OG1 3.19Å; E469-T472 VanDerWaalsContact O-OG1 3.13Å; E469-L473 VanDerWaalsContact O-CB 3.26Å; E469-L473 WeakPolarHBondContact O-CB 3.46Å; E469-L473 PolarHBondContact O-N 3.24Å; E469-L473 VanDerWaalsContact O-N 3.11Å
470W96.8Very high96.2Very high8 Ų838.8 Ų38.83%0.0319%0.19CC..Hα-helixtrans-73.4-39.9-179-66.530.7000111.3L38 I67 T68 V78 E80 I81 W139 M145 A147 D466 F467 L473 V474L38-W470 HydrophobicContact CD1-CB 3.56Å; L38-W470 HydrophobicContact CD1-CE3 4.2Å; I67-W470 HydrophobicContact CD1-CE3 4.01Å; I67-W470 HydrophobicContact CD1-CZ3 3.83Å; I67-W470 HydrophobicContact CG1-CE3 4.33Å; I67-W470 HydrophobicContact CG1-CZ3 4.05Å; T68-W470 HydrophobicContact CG2-CD2 4.28Å; T68-W470 HydrophobicContact CG2-CE3 3.48Å; T68-W470 VanDerWaalsContact CG2-CE3 3.48Å; T68-W470 HydrophobicContact CG2-CZ3 3.97Å; V78-W470 HydrophobicContact CG1-CD2 3.71Å; V78-W470 HydrophobicContact CG1-CE3 4.36Å; V78-W470 HydrophobicContact CG1-CG 4.07Å; V78-W470 HydrophobicContact CG1-CH2 4.34Å; V78-W470 HydrophobicContact CG1-CZ2 3.7Å; V78-W470 HydrophobicContact CG2-CD2 4.41Å; E80-W470 HydrophobicContact CB-CZ2 4.04Å; E80-W470 HydrophobicContact CG-CZ2 4.46Å; I81-W470 HydrophobicContact CD1-CE3 4.44Å; I81-W470 HydrophobicContact CD1-CH2 3.65Å; I81-W470 HydrophobicContact CD1-CZ2 4.39Å; I81-W470 HydrophobicContact CD1-CZ3 3.68Å; I81-W470 HydrophobicContact CG1-CH2 3.75Å; I81-W470 HydrophobicContact CG1-CZ2 4.29Å; I81-W470 HydrophobicContact CG1-CZ3 4.31Å; W139-W470 AromaticContact CH2-CH2 3.88Å; W139-W470 HydrophobicContact CH2-CH2 3.88Å; W139-W470 HydrophobicContact CH2-CZ2 4.31Å; W139-W470 HydrophobicContact CZ2-CH2 4.08Å; W139-W470 HydrophobicContact CZ2-CZ2 4.27Å; M145-W470 HydrophobicContact CE-CH2 4.19Å; M145-W470 HydrophobicContact CE-CZ3 4.42Å; M145-W470 HydrophobicContact CG-CH2 4.3Å; M145-W470 HydrophobicContact CG-CZ3 4.48Å; M145-W470 HydrophobicContact SD-CH2 4.1Å; M145-W470 HydrophobicContact SD-CZ3 3.91Å; A147-W470 HydrophobicContact CB-CB 4.13Å; A147-W470 HydrophobicContact CB-CD2 3.36Å; A147-W470 HydrophobicContact CB-CE3 3.44Å; A147-W470 VanDerWaalsContact CB-CE3 3.44Å; A147-W470 HydrophobicContact CB-CG 3.73Å; A147-W470 HydrophobicContact CB-CH2 4.33Å; A147-W470 HydrophobicContact CB-CZ2 4.25Å; A147-W470 HydrophobicContact CB-CZ3 3.95Å; D466-W470 WeakPolarHBondContact O-CB 3.5Å; D466-W470 VanDerWaalsContact O-CG 3.31Å; D466-W470 PolarHBondContact O-N 2.85Å; D466-W470 VanDerWaalsContact O-N 3.09Å; F467-W470 PolarHBondContact O-N 3.32Å; W470-L473 PolarHBondContact O-N 2.86Å; W470-V474 WeakPolarHBondContact O-CG2 3.39Å; W470-V474 PolarHBondContact O-N 3.4Å
471Y97Very high95.9Very high1 Ų139.5 Ų39.50%0.00420%0.2CC..Hα-helixtrans-59.9-52.4177.2-179.8-94.5000111.1A347 I348 P351 H404 L453 F467 L473 V474 K475A347-Y471 PolarHBondContact O-OH 2.93Å; I348-Y471 WeakPolarHBondContact CA-OH 3.42Å; I348-Y471 HydrophobicContact CG1-CE1 3.99Å; P351-Y471 VanDerWaalsContact CB-OH 3.22Å; P351-Y471 WeakPolarHBondContact CB-OH 3.24Å; H404-Y471 AromaticContact CE1-CD2 3.97Å; H404-Y471 AromaticContact CE1-CE2 3.81Å; H404-Y471 AromaticContact ND1-CE2 3.67Å; L453-Y471 HydrophobicContact CD2-CD1 4.26Å; L453-Y471 HydrophobicContact CD2-CE1 4.34Å; F467-Y471 HydrophobicContact CZ-CD2 4.15Å; F467-Y471 HydrophobicContact CZ-CG 4.35Å; F467-Y471 WeakPolarHBondContact O-CB 3.49Å; F467-Y471 PolarHBondContact O-N 3.44Å; Y471-L473 VanDerWaalsContact C-N 3.31Å; Y471-L473 PolarHBondContact O-N 2.87Å; Y471-V474 PolarHBondContact O-N 2.84Å; Y471-K475 HydrophobicContact CD1-CG 4.16Å; Y471-K475 HydrophobicContact CE1-CG 3.67Å; Y471-K475 HydrophobicContact CE2-CG 4.33Å; Y471-K475 WeakPolarHBondContact O-CG 3.45Å; Y471-K475 PolarHBondContact O-N 3.32Å; Y471-K475 VanDerWaalsContact OH-CE 3.26Å; Y471-K475 WeakPolarHBondContact OH-CE 3.25Å
472T96.8Very high95.6Very high11 Ų1132.4 Ų32.47%0.06717%0.173CC..Hα-helixtrans-60.5-41.2178.649.40000111.8L450 L453 F468 E469 V474 K475 E476L450-T472 HydrophobicContact CD2-CG2 4.35Å; L453-T472 HydrophobicContact CD2-CG2 3.94Å; F468-T472 HydrophobicContact CD2-CG2 3.76Å; F468-T472 HydrophobicContact CE2-CG2 3.44Å; F468-T472 VanDerWaalsContact CE2-CG2 3.44Å; F468-T472 HydrophobicContact CZ-CG2 4.18Å; F468-T472 WeakPolarHBondContact O-CB 3.43Å; F468-T472 WeakPolarHBondContact O-CG2 3.5Å; F468-T472 PolarHBondContact O-N 3.32Å; F468-T472 PolarHBondContact O-OG1 2.85Å; E469-T472 PolarHBondContact O-OG1 3.19Å; E469-T472 VanDerWaalsContact O-OG1 3.13Å; T472-V474 PolarHBondContact O-N 2.89Å; T472-K475 PolarHBondContact O-N 3.08Å; T472-E476 WeakPolarHBondContact O-CB 3.12Å; T472-E476 VanDerWaalsContact O-CG 3.29Å; T472-E476 WeakPolarHBondContact O-CG 3.31Å; T472-E476 PolarHBondContact O-N 2.74Å
473L95.7Very high95.4Very high40 Ų4031.3 Ų31.321%0.20917%0.169CC..Hα-helixtrans-57.9-46175.2179.5152.8000112.5F76 V78 E469 W470 Y471 K475 E476 L477F76-L473 HydrophobicContact CB-CD2 3.45Å; F76-L473 VanDerWaalsContact CB-CD2 3.45Å; F76-L473 HydrophobicContact CG-CD2 4.28Å; V78-L473 HydrophobicContact CG2-CD1 4.25Å; V78-L473 HydrophobicContact CG2-CD2 4.04Å; E469-L473 VanDerWaalsContact O-CB 3.26Å; E469-L473 WeakPolarHBondContact O-CB 3.46Å; E469-L473 PolarHBondContact O-N 3.24Å; E469-L473 VanDerWaalsContact O-N 3.11Å; W470-L473 PolarHBondContact O-N 2.86Å; Y471-L473 VanDerWaalsContact C-N 3.31Å; Y471-L473 PolarHBondContact O-N 2.87Å; L473-K475 VanDerWaalsContact C-N 3.31Å; L473-K475 PolarHBondContact O-N 3.09Å; L473-E476 PolarHBondContact O-N 2.95Å; L473-L477 HydrophobicContact CD2-CD1 3.92Å; L473-L477 HydrophobicContact CG-CD1 3.88Å; L473-L477 HydrophobicContact CG-CG 4.46Å; L473-L477 WeakPolarHBondContact O-CB 3.29Å; L473-L477 WeakPolarHBondContact O-CG 3.19Å; L473-L477 PolarHBondContact O-N 2.88Å
474V95.5Very high95Very high0 Ų032.3 Ų32.30%018%0.18CC..Hα-helixtrans-62.5-40.2177.1171.60000110.9L38 N39 F76 W470 Y471 T472 G478L38-V474 HydrophobicContact CB-CB 4.49Å; L38-V474 HydrophobicContact CB-CG2 4.08Å; L38-V474 HydrophobicContact CD1-CG2 3.85Å; N39-V474 VanDerWaalsContact ND2-CG1 3.34Å; N39-V474 WeakPolarHBondContact ND2-CG1 3.48Å; N39-V474 WeakPolarHBondContact OD1-CG1 3.45Å; F76-V474 HydrophobicContact CD2-CB 4.46Å; F76-V474 HydrophobicContact CD2-CG1 4.49Å; F76-V474 HydrophobicContact CD2-CG2 4.18Å; F76-V474 HydrophobicContact CE2-CG1 4.37Å; W470-V474 WeakPolarHBondContact O-CG2 3.39Å; W470-V474 PolarHBondContact O-N 3.4Å; Y471-V474 PolarHBondContact O-N 2.84Å; T472-V474 PolarHBondContact O-N 2.89Å; V474-G478 WeakPolarHBondContact O-CA 3.47Å; V474-G478 PolarHBondContact O-N 3.17Å
475K96.2Very high94.6Very high3 Ų336.2 Ų36.21%0.01319%0.194CC..Iπ-helixtrans-70.3-37.3178.4-61.8-44.7-175.6-177.10113.4N39 P351 L450 Y471 T472 L473 D479 L480N39-K475 PolarHBondContact OD1-NZ 3.48Å; P351-K475 WeakPolarHBondContact O-CE 3.31Å; P351-K475 PolarHBondContact O-NZ 2.68Å; P351-K475 VanDerWaalsContact O-NZ 3.15Å; L450-K475 HydrophobicContact CD1-CB 3.82Å; L450-K475 HydrophobicContact CD2-CB 3.86Å; L450-K475 HydrophobicContact CD2-CG 4.24Å; L450-K475 HydrophobicContact CG-CB 4.45Å; Y471-K475 HydrophobicContact CD1-CG 4.16Å; Y471-K475 HydrophobicContact CE1-CG 3.67Å; Y471-K475 HydrophobicContact CE2-CG 4.33Å; Y471-K475 WeakPolarHBondContact O-CG 3.45Å; Y471-K475 PolarHBondContact O-N 3.32Å; Y471-K475 VanDerWaalsContact OH-CE 3.26Å; Y471-K475 WeakPolarHBondContact OH-CE 3.25Å; T472-K475 PolarHBondContact O-N 3.08Å; L473-K475 VanDerWaalsContact C-N 3.31Å; L473-K475 PolarHBondContact O-N 3.09Å; K475-D479 WeakPolarHBondContact CD-OD2 3.25Å; K475-D479 IonicContact NZ-OD1 3.08Å; K475-D479 IonicContact NZ-OD2 2.77Å; K475-D479 PolarHBondContact NZ-OD2 3.21Å; K475-D479 PolarHBondContact O-N 2.98Å; K475-L480 PolarHBondContact O-N 2.98Å
476E95.2Very high94.2Very high76 Ų7631.1 Ų31.136%0.35517%0.173SC..Iπ-helixtrans-77.1-44.2-179.1-69-169.4126.200112.9L450 K454 T472 L473 L480 G481L450-E476 HydrophobicContact CD1-CG 4.37Å; K454-E476 WeakPolarHBondContact CE-OE1 3.36Å; K454-E476 IonicContact NZ-OE1 3.48Å; K454-E476 PolarHBondContact NZ-OE1 3.25Å; K454-E476 IonicContact NZ-OE2 3.56Å; K454-E476 PolarHBondContact NZ-OE2 3.34Å; T472-E476 WeakPolarHBondContact O-CB 3.12Å; T472-E476 VanDerWaalsContact O-CG 3.29Å; T472-E476 WeakPolarHBondContact O-CG 3.31Å; T472-E476 PolarHBondContact O-N 2.74Å; L473-E476 PolarHBondContact O-N 2.95Å; E476-L480 HydrophobicContact CG-CD1 4.46Å; E476-G481 PolarHBondContact O-N 3.34Å
477L94Very high94Very high96 Ų9633.9 Ų33.950%0.50319%0.188SC..Iπ-helixtrans-82.4-32.7-179.3-61-177.4000112.7F76 L473F76-L477 HydrophobicContact CB-CD1 4.16Å; F76-L477 HydrophobicContact CD1-CB 3.58Å; F76-L477 HydrophobicContact CD1-CD1 4.18Å; F76-L477 HydrophobicContact CE1-CB 3.79Å; F76-L477 HydrophobicContact CG-CB 4.03Å; F76-L477 HydrophobicContact CG-CD1 4.35Å; F76-L477 HydrophobicContact CZ-CB 4.4Å; L473-L477 HydrophobicContact CD2-CD1 3.92Å; L473-L477 HydrophobicContact CG-CD1 3.88Å; L473-L477 HydrophobicContact CG-CG 4.46Å; L473-L477 WeakPolarHBondContact O-CB 3.29Å; L473-L477 WeakPolarHBondContact O-CG 3.19Å; L473-L477 PolarHBondContact O-N 2.88Å
478G93Very high93.6Very high9 Ų934.7 Ų34.79%0.09319%0.192CC..Iπ-helixtrans-86.7-86.3177.500000112.2V474 L480 G481 A482V474-G478 WeakPolarHBondContact O-CA 3.47Å; V474-G478 PolarHBondContact O-N 3.17Å; G478-L480 PolarHBondContact O-N 3.11Å; G478-G481 PolarHBondContact O-N 3.33Å; G478-A482 VanDerWaalsContact O-CB 3.24Å; G478-A482 WeakPolarHBondContact O-CB 3.29Å; G478-A482 PolarHBondContact O-N 3.29Å
479D93.3Very high93.1Very high9 Ų939.3 Ų39.35%0.04821%0.212CC..Iπ-helixtrans-56.7-53-172.1-63.6-99.4000112.7L446 K475 L483 Y503L446-D479 HydrophobicContact CD2-CB 3.65Å; K475-D479 WeakPolarHBondContact CD-OD2 3.25Å; K475-D479 IonicContact NZ-OD1 3.08Å; K475-D479 IonicContact NZ-OD2 2.77Å; K475-D479 PolarHBondContact NZ-OD2 3.21Å; K475-D479 PolarHBondContact O-N 2.98Å; D479-L483 PolarHBondContact O-N 2.84Å; D479-Y503 WeakPolarHBondContact OD1-CE1 3.48Å; D479-Y503 PolarHBondContact OD1-OH 3.27Å
480L93.7Very high92.8Very high33 Ų3337.7 Ų37.717%0.17321%0.206CC..Hα-helixtrans-73.2-34.6178.4-65.2-169.9000112.5L446 Q447 L450 K475 E476 G478 A482 G484L446-L480 HydrophobicContact CB-CD2 4.11Å; L446-L480 HydrophobicContact CD2-CD2 3.88Å; L446-L480 HydrophobicContact CD2-CG 4.31Å; L446-L480 HydrophobicContact CG-CD2 3.98Å; L446-L480 HydrophobicContact CG-CG 4.49Å; Q447-L480 HydrophobicContact CG-CD1 3.92Å; Q447-L480 HydrophobicContact CG-CD2 3.65Å; Q447-L480 HydrophobicContact CG-CG 4.45Å; L450-L480 HydrophobicContact CD1-CD1 3.59Å; L450-L480 HydrophobicContact CD1-CG 4.01Å; K475-L480 PolarHBondContact O-N 2.98Å; E476-L480 HydrophobicContact CG-CD1 4.46Å; G478-L480 PolarHBondContact O-N 3.11Å; L480-A482 VanDerWaalsContact C-N 3.27Å; L480-A482 PolarHBondContact O-N 2.72Å; L480-G484 WeakPolarHBondContact O-CA 3.37Å; L480-G484 PolarHBondContact O-N 3.01Å
481G92.3Very high92.3Very high29 Ų2941 Ų4130%0.29922%0.224SC..Hα-helixtrans-61.2-37.7175.500000112.5E476 G478E476-G481 PolarHBondContact O-N 3.34Å; G478-G481 PolarHBondContact O-N 3.33Å
482A90.7Very high92.1Very high24 Ų2446.2 Ų46.220%0.19825%0.249CC..Hα-helixtrans-83.6-46179.200000113G478 L480 H485 E502G478-A482 VanDerWaalsContact O-CB 3.24Å; G478-A482 WeakPolarHBondContact O-CB 3.29Å; G478-A482 PolarHBondContact O-N 3.29Å; L480-A482 VanDerWaalsContact C-N 3.27Å; L480-A482 PolarHBondContact O-N 2.72Å; A482-H485 PolarHBondContact O-CE1 2.75Å; A482-H485 PolarHBondContact O-ND1 3.04Å; A482-E502 HydrophobicContact CB-CG 4.37Å
483L93.4Very high91.9Very high0 Ų047.9 Ų47.90%026%0.256CS..Hα-helixtrans-124-2.7-168.4-57.9178.4000114.5P191 T353 D479 H485 L486 F498 E499 E502 Y503P191-L483 HydrophobicContact CB-CD2 3.97Å; P191-L483 HydrophobicContact CG-CD2 3.42Å; P191-L483 VanDerWaalsContact CG-CD2 3.42Å; T353-L483 HydrophobicContact CG2-CB 4.37Å; D479-L483 PolarHBondContact O-N 2.84Å; L483-H485 PolarHBondContact O-N 3.27Å; L483-L486 HydrophobicContact CB-CD1 4.06Å; L483-L486 HydrophobicContact CB-CG 4.47Å; L483-L486 HydrophobicContact CD2-CD1 3.51Å; L483-L486 HydrophobicContact CD2-CG 4.47Å; L483-L486 HydrophobicContact CG-CD1 4.3Å; L483-L486 VanDerWaalsContact O-CB 3.31Å; L483-L486 WeakPolarHBondContact O-CB 3.34Å; L483-L486 WeakPolarHBondContact O-CG 3.18Å; L483-L486 PolarHBondContact O-N 3.17Å; L483-F498 HydrophobicContact CD2-CB 4.04Å; L483-E499 HydrophobicContact CD1-CB 4.48Å; L483-E499 HydrophobicContact CD1-CG 4.01Å; L483-E502 HydrophobicContact CD1-CB 3.99Å; L483-E502 HydrophobicContact CD1-CG 3.69Å; L483-E502 HydrophobicContact CD2-CG 4Å; L483-E502 HydrophobicContact CG-CG 3.87Å; L483-Y503 HydrophobicContact CD1-CD2 4.4Å; L483-Y503 HydrophobicContact CD1-CE2 3.4Å; L483-Y503 WeakPolarHBondContact CD1-OH 3.25Å
484G90Very high91.6Very high26 Ų2649.8 Ų49.827%0.26826%0.264SS..THydrogen-bonded Turntrans-65.6-10.7-17400000115.1Q447 L480Q447-G484 VanDerWaalsContact NE2-CA 3.27Å; Q447-G484 PolarHBondContact NE2-O 3.38Å; L480-G484 WeakPolarHBondContact O-CA 3.37Å; L480-G484 PolarHBondContact O-N 3.01Å
485H88.8Confident91.5Very high96 Ų9650.3 Ų50.344%0.44427%0.267SS..THydrogen-bonded Turntrans-89.4-9.6174.365.2-84000113.4A482 L483A482-H485 PolarHBondContact O-CE1 2.75Å; A482-H485 PolarHBondContact O-ND1 3.04Å; L483-H485 PolarHBondContact O-N 3.27Å
486L88.9Confident91.4Very high28 Ų2850.2 Ų50.215%0.14727%0.267CS..  trans-80142.3-179-60.6-176.5000111.2L483 T495 F498L483-L486 HydrophobicContact CB-CD1 4.06Å; L483-L486 HydrophobicContact CB-CG 4.47Å; L483-L486 HydrophobicContact CD2-CD1 3.51Å; L483-L486 HydrophobicContact CD2-CG 4.47Å; L483-L486 HydrophobicContact CG-CD1 4.3Å; L483-L486 VanDerWaalsContact O-CB 3.31Å; L483-L486 WeakPolarHBondContact O-CB 3.34Å; L483-L486 WeakPolarHBondContact O-CG 3.18Å; L483-L486 PolarHBondContact O-N 3.17Å; L486-T495 HydrophobicContact CB-CG2 4.08Å; L486-T495 HydrophobicContact CD1-CG2 4.14Å; L486-T495 HydrophobicContact CG-CG2 4.5Å; L486-F498 HydrophobicContact CD1-CB 3.76Å; L486-F498 HydrophobicContact CD1-CD2 4.19Å; L486-F498 HydrophobicContact CD1-CG 4.4Å; L486-F498 HydrophobicContact CD2-CD2 3.92Å
487N90Very high91.3Very high97 Ų9746.6 Ų46.652%0.51925%0.25SC..  trans-94.892.9169.9178.611.1000110K489 D490N487-K489 PolarHBondContact O-N 2.84Å; N487-K489 WeakPolarHBondContact OD1-CB 3.43Å; N487-K489 PolarHBondContact OD1-N 3.4Å; N487-D490 WeakPolarHBondContact O-CB 3.48Å; N487-D490 PolarHBondContact O-N 3.48Å; N487-D490 VanDerWaalsContact O-OD1 3.12Å
488I89.5Confident91.3Very high19 Ų1942.9 Ų42.910%0.09723%0.23CC..G310 helixtrans-60.9-16.5-179.864.6171.8000114T353 R357 D490T353-I488 HydrophobicContact CG2-CG2 3.51Å; R357-I488 HydrophobicContact CG-CB 4.11Å; R357-I488 HydrophobicContact CG-CD1 4.27Å; R357-I488 VanDerWaalsContact CZ-O 3.23Å; R357-I488 PolarHBondContact NH1-O 3.36Å; R357-I488 PolarHBondContact NH2-O 3.11Å; I488-D490 VanDerWaalsContact C-N 3.26Å; I488-D490 PolarHBondContact O-N 2.67Å
489K88.4Confident91.3Very high135 Ų13542.5 Ų42.559%0.58723%0.225SC*.G310 helixtrans-79.7-8.4179.3-59.6179.1-177.9172.10112.7S444 N487 N491S444-K489 PolarHBondContact OG-NZ 3.36Å; N487-K489 PolarHBondContact O-N 2.84Å; N487-K489 WeakPolarHBondContact OD1-CB 3.43Å; N487-K489 PolarHBondContact OD1-N 3.4Å; K489-N491 PolarHBondContact O-N 2.78Å
490D89.7Confident91.4Very high51 Ų5142.1 Ų42.127%0.27322%0.223SC..G310 helixtrans-66.7-21.7176.9714.3000113.9R357 N487 I488 Q492 T495R357-D490 IonicContact NH2-OD1 2.75Å; N487-D490 WeakPolarHBondContact O-CB 3.48Å; N487-D490 PolarHBondContact O-N 3.48Å; N487-D490 VanDerWaalsContact O-OD1 3.12Å; I488-D490 VanDerWaalsContact C-N 3.26Å; I488-D490 PolarHBondContact O-N 2.67Å; D490-Q492 HydrophobicContact CB-CG 4.03Å; D490-Q492 PolarHBondContact O-N 3.31Å; D490-Q492 PolarHBondContact O-NE2 3.34Å; D490-Q492 PolarHBondContact OD1-N 3.46Å; D490-T495 PolarHBondContact OD1-OG1 2.94Å; D490-T495 WeakPolarHBondContact OD2-CB 3.38Å; D490-T495 PolarHBondContact OD2-OG1 2.84Å
491N86.2Confident91.4Very high77 Ų7743 Ų4341%0.41222%0.224SC..  trans40.548.4-171.2-61.7-53.6000112.5L295 R357 K489L295-N491 HydrophobicContact CD1-CB 4.43Å; L295-N491 WeakPolarHBondContact CD1-O 3.18Å; L295-N491 HydrophobicContact CD2-CB 4.15Å; R357-N491 PolarHBondContact NH1-OD1 2.52Å; K489-N491 PolarHBondContact O-N 2.78Å
492Q92Very high91.4Very high112 Ų11242.1 Ų42.152%0.52321%0.213SC..  trans-94.8139.9172.3-61-56.8-57.500110.9D490 E494 T495 L496D490-Q492 HydrophobicContact CB-CG 4.03Å; D490-Q492 PolarHBondContact O-N 3.31Å; D490-Q492 PolarHBondContact O-NE2 3.34Å; D490-Q492 PolarHBondContact OD1-N 3.46Å; Q492-E494 PolarHBondContact O-N 3.1Å; Q492-T495 PolarHBondContact O-N 3.01Å; Q492-L496 PolarHBondContact O-N 3.16Å
493E92.6Very high91.6Very high46 Ų4641.3 Ų41.322%0.21521%0.205CC..Hα-helixtrans-63.1-28.9178.1-81.8-62.7147.500112.6F202 L204 L295 L496 A497 R500F202-E493 HydrophobicContact CE2-CB 3.99Å; F202-E493 HydrophobicContact CZ-CB 3.87Å; L204-E493 HydrophobicContact CD2-CB 4.43Å; L204-E493 HydrophobicContact CD2-CG 3.87Å; L204-E493 WeakPolarHBondContact CD2-OE2 3.37Å; L295-E493 HydrophobicContact CD1-CG 4Å; L295-E493 WeakPolarHBondContact CD1-OE1 3.46Å; L295-E493 WeakPolarHBondContact CG-OE1 3.39Å; E493-L496 PolarHBondContact O-N 2.89Å; E493-A497 WeakPolarHBondContact O-CB 3.45Å; E493-A497 PolarHBondContact O-N 3.42Å; E493-R500 IonicContact OE2-CZ 2.85Å; E493-R500 IonicContact OE2-NH1 3.01Å; E493-R500 PolarHBondContact OE2-NH1 2.85Å; E493-R500 IonicContact OE2-NH2 2.72Å
494E91.4Very high91.6Very high79 Ų7941.4 Ų41.437%0.36921%0.205SC..Hα-helixtrans-64.8-48.5173.7-175.6179-171.300111.3L189 T197 F202 Q492 L496 A497 F498L189-E494 HydrophobicContact CD1-CG 3.91Å; T197-E494 WeakPolarHBondContact CG2-OE1 3.45Å; F202-E494 HydrophobicContact CE1-CB 4.36Å; Q492-E494 PolarHBondContact O-N 3.1Å; E494-L496 VanDerWaalsContact C-N 3.27Å; E494-L496 PolarHBondContact O-N 2.92Å; E494-A497 WeakPolarHBondContact O-CA 3.28Å; E494-A497 WeakPolarHBondContact O-CB 3.18Å; E494-A497 PolarHBondContact O-N 2.85Å; E494-F498 HydrophobicContact CG-CE2 3.88Å; E494-F498 HydrophobicContact CG-CZ 4.01Å; E494-F498 WeakPolarHBondContact O-CD2 3.33Å; E494-F498 PolarHBondContact O-N 3.26Å; E494-F498 VanDerWaalsContact O-N 3.15Å
495T92.3Very high91.6Very high12 Ų1245 Ų457%0.07421%0.213CC..Hα-helixtrans-59-42.3175.4-56.80000110.9L486 D490 Q492 A497 F498 E499L486-T495 HydrophobicContact CB-CG2 4.08Å; L486-T495 HydrophobicContact CD1-CG2 4.14Å; L486-T495 HydrophobicContact CG-CG2 4.5Å; D490-T495 PolarHBondContact OD1-OG1 2.94Å; D490-T495 WeakPolarHBondContact OD2-CB 3.38Å; D490-T495 PolarHBondContact OD2-OG1 2.84Å; Q492-T495 PolarHBondContact O-N 3.01Å; T495-A497 VanDerWaalsContact C-N 3.33Å; T495-A497 PolarHBondContact O-N 3.46Å; T495-F498 WeakPolarHBondContact O-CB 3.14Å; T495-F498 PolarHBondContact O-N 2.91Å; T495-E499 PolarHBondContact O-N 3.36Å
496L93.7Very high91.4Very high0 Ų042.8 Ų42.80%020%0.203CC..Hα-helixtrans-66.8-33.4175.3-175.357.6000112.5M290 K292 P293 L295 Q492 E493 E494 F498 E499 R500M290-L496 HydrophobicContact CE-CD1 3.86Å; K292-L496 WeakPolarHBondContact O-CD1 3.39Å; P293-L496 WeakPolarHBondContact O-CD2 3.35Å; L295-L496 HydrophobicContact CD2-CB 4.4Å; L295-L496 HydrophobicContact CD2-CD2 3.91Å; L295-L496 HydrophobicContact CG-CB 4.5Å; L295-L496 HydrophobicContact CG-CD2 3.68Å; Q492-L496 PolarHBondContact O-N 3.16Å; E493-L496 PolarHBondContact O-N 2.89Å; E494-L496 VanDerWaalsContact C-N 3.27Å; E494-L496 PolarHBondContact O-N 2.92Å; L496-F498 VanDerWaalsContact C-N 3.29Å; L496-F498 PolarHBondContact O-N 2.68Å; L496-E499 HydrophobicContact CD1-CB 4.29Å; L496-E499 PolarHBondContact O-N 3.09Å; L496-R500 HydrophobicContact CG-CG 4.38Å; L496-R500 WeakPolarHBondContact O-CG 3.47Å; L496-R500 PolarHBondContact O-N 3.03Å
497A93.9Very high90.9Very high0 Ų042.3 Ų42.30%020%0.201CC..Hα-helixtrans-63.5-34.3175.300000112.6T187 L189 F202 E493 E494 T495 R500 Y501T187-A497 WeakPolarHBondContact O-CB 3.37Å; L189-A497 HydrophobicContact CB-CB 3.92Å; L189-A497 HydrophobicContact CD1-CB 3.9Å; L189-A497 HydrophobicContact CG-CB 3.72Å; L189-A497 PolarHBondContact N-O 2.93Å; F202-A497 HydrophobicContact CD1-CB 4.48Å; F202-A497 HydrophobicContact CD2-CB 4.08Å; F202-A497 HydrophobicContact CE2-CB 4.23Å; F202-A497 HydrophobicContact CG-CB 4.21Å; F202-A497 HydrophobicContact CZ-CB 4.48Å; E493-A497 WeakPolarHBondContact O-CB 3.45Å; E493-A497 PolarHBondContact O-N 3.42Å; E494-A497 WeakPolarHBondContact O-CA 3.28Å; E494-A497 WeakPolarHBondContact O-CB 3.18Å; E494-A497 PolarHBondContact O-N 2.85Å; T495-A497 VanDerWaalsContact C-N 3.33Å; T495-A497 PolarHBondContact O-N 3.46Å; A497-R500 PolarHBondContact O-N 2.72Å; A497-Y501 PolarHBondContact O-N 3.16Å
498F93.4Very high90.9Very high19 Ų1939.6 Ų39.68%0.08319%0.185CC..Hα-helixtrans-64.5-42.9170.9-62.8-46.2000112L189 K190 P191 T197 L483 L486 E494 T495 L496 Y501 E502L189-F498 HydrophobicContact CB-CD1 3.59Å; L189-F498 HydrophobicContact CB-CE1 3.57Å; L189-F498 HydrophobicContact CD1-CE1 4.16Å; L189-F498 HydrophobicContact CD1-CZ 4.4Å; L189-F498 WeakPolarHBondContact O-CA 3.31Å; L189-F498 WeakPolarHBondContact O-CD1 3.31Å; K190-F498 WeakPolarHBondContact O-CE1 3.32Å; P191-F498 HydrophobicContact CB-CB 4.45Å; P191-F498 HydrophobicContact CB-CD1 4.32Å; P191-F498 HydrophobicContact CG-CB 4.06Å; P191-F498 HydrophobicContact CG-CD1 4.37Å; T197-F498 HydrophobicContact CG2-CZ 4.21Å; L483-F498 HydrophobicContact CD2-CB 4.04Å; L486-F498 HydrophobicContact CD1-CB 3.76Å; L486-F498 HydrophobicContact CD1-CD2 4.19Å; L486-F498 HydrophobicContact CD1-CG 4.4Å; L486-F498 HydrophobicContact CD2-CD2 3.92Å; E494-F498 HydrophobicContact CG-CE2 3.88Å; E494-F498 HydrophobicContact CG-CZ 4.01Å; E494-F498 WeakPolarHBondContact O-CD2 3.33Å; E494-F498 PolarHBondContact O-N 3.26Å; E494-F498 VanDerWaalsContact O-N 3.15Å; T495-F498 WeakPolarHBondContact O-CB 3.14Å; T495-F498 PolarHBondContact O-N 2.91Å; L496-F498 VanDerWaalsContact C-N 3.29Å; L496-F498 PolarHBondContact O-N 2.68Å; F498-Y501 WeakPolarHBondContact O-CB 3.49Å; F498-Y501 PolarHBondContact O-N 3.37Å; F498-E502 PolarHBondContact O-N 2.88Å
499E94.2Very high91Very high0 Ų040.6 Ų40.60%019%0.189CC..Hα-helixtrans-66.9-39.4174.8-69.3167.3-116.300112.3M290 N354 R357 L483 T495 L496 Y501 E502 Y503M290-E499 HydrophobicContact CE-CB 3.78Å; N354-E499 VanDerWaalsContact CA-OE2 3.24Å; N354-E499 WeakPolarHBondContact CA-OE2 3.46Å; N354-E499 HydrophobicContact CB-CB 4.48Å; N354-E499 VanDerWaalsContact CB-OE2 3.27Å; N354-E499 WeakPolarHBondContact CB-OE2 3.37Å; N354-E499 PolarHBondContact ND2-OE2 3.2Å; R357-E499 WeakPolarHBondContact CD-OE2 3.38Å; R357-E499 IonicContact CZ-OE1 2.62Å; R357-E499 IonicContact CZ-OE2 2.96Å; R357-E499 IonicContact NE-OE1 3.82Å; R357-E499 PolarHBondContact NE-OE1 2.8Å; R357-E499 IonicContact NE-OE2 3.29Å; R357-E499 PolarHBondContact NE-OE2 3.31Å; R357-E499 IonicContact NH2-OE1 3.72Å; R357-E499 PolarHBondContact NH2-OE1 3.22Å; L483-E499 HydrophobicContact CD1-CB 4.48Å; L483-E499 HydrophobicContact CD1-CG 4.01Å; T495-E499 PolarHBondContact O-N 3.36Å; L496-E499 HydrophobicContact CD1-CB 4.29Å; L496-E499 PolarHBondContact O-N 3.09Å; E499-Y501 PolarHBondContact O-N 3.31Å; E499-E502 PolarHBondContact O-N 3.48Å; E499-E502 VanDerWaalsContact O-N 3.11Å; E499-Y503 HydrophobicContact CB-CD2 4.1Å; E499-Y503 HydrophobicContact CB-CE2 4.26Å; E499-Y503 HydrophobicContact CG-CE2 4.41Å; E499-Y503 WeakPolarHBondContact O-CD2 3.35Å; E499-Y503 PolarHBondContact O-N 3.33Å
500R94.9Very high91.1Very high1 Ų135.4 Ų35.40%0.00417%0.167CC..Hα-helixtrans-60.8-37.5175.7-74.7-173-58.2-128.80.2111T187 M290 E493 L496 A497 E502 Y503 L504T187-R500 PolarHBondContact O-NE 3.22Å; T187-R500 PolarHBondContact O-NH2 2.97Å; T187-R500 PolarHBondContact OG1-NE 3.18Å; T187-R500 PolarHBondContact OG1-NH2 3.37Å; T187-R500 VanDerWaalsContact OG1-NH2 3.1Å; M290-R500 HydrophobicContact CE-CG 3.95Å; M290-R500 HydrophobicContact SD-CG 4.01Å; E493-R500 IonicContact OE2-CZ 2.85Å; E493-R500 IonicContact OE2-NH1 3.01Å; E493-R500 PolarHBondContact OE2-NH1 2.85Å; E493-R500 IonicContact OE2-NH2 2.72Å; L496-R500 HydrophobicContact CG-CG 4.38Å; L496-R500 WeakPolarHBondContact O-CG 3.47Å; L496-R500 PolarHBondContact O-N 3.03Å; A497-R500 PolarHBondContact O-N 2.72Å; R500-E502 VanDerWaalsContact C-N 3.33Å; R500-E502 PolarHBondContact O-N 2.92Å; R500-Y503 PolarHBondContact O-N 3.37Å; R500-L504 HydrophobicContact CB-CB 4.14Å; R500-L504 HydrophobicContact CB-CD2 4.24Å; R500-L504 HydrophobicContact CG-CD1 4.49Å; R500-L504 HydrophobicContact CG-CD2 4.44Å; R500-L504 WeakPolarHBondContact O-CB 3.24Å; R500-L504 PolarHBondContact O-N 3.47Å
501Y93.3Very high91.2Very high51 Ų5134.5 Ų34.520%0.216%0.161CC..Hα-helixtrans-56.6-49.1173.3-177.3-88.3000110.8R72 C188 L189 K190 A497 F498 E499R72-Y501 HydrophobicContact CG-CE1 3.83Å; R72-Y501 PolarHBondContact NE-O 3.06Å; R72-Y501 VanDerWaalsContact NH2-C 3.35Å; R72-Y501 PolarHBondContact NH2-O 3.49Å; C188-Y501 HydrophobicContact CB-CD2 3.97Å; C188-Y501 HydrophobicContact CB-CG 4.42Å; L189-Y501 WeakPolarHBondContact O-CB 3.34Å; K190-Y501 HydrophobicContact CB-CD2 4.17Å; K190-Y501 HydrophobicContact CB-CE1 4.35Å; K190-Y501 HydrophobicContact CB-CE2 3.86Å; K190-Y501 HydrophobicContact CG-CE1 3.94Å; K190-Y501 HydrophobicContact CG-CE2 4.2Å; A497-Y501 PolarHBondContact O-N 3.16Å; F498-Y501 WeakPolarHBondContact O-CB 3.49Å; F498-Y501 PolarHBondContact O-N 3.37Å; E499-Y501 PolarHBondContact O-N 3.31Å
502E92.5Very high91.5Very high12 Ų1231.8 Ų31.86%0.05615%0.145CC..Hα-helixtrans-72.9-37-178.4-63.2-53.9149.600114P71 P191 A482 L483 F498 E499 R500 F506P71-E502 WeakPolarHBondContact CG-OE2 3.39Å; P191-E502 HydrophobicContact CG-CG 4.44Å; A482-E502 HydrophobicContact CB-CG 4.37Å; L483-E502 HydrophobicContact CD1-CB 3.99Å; L483-E502 HydrophobicContact CD1-CG 3.69Å; L483-E502 HydrophobicContact CD2-CG 4Å; L483-E502 HydrophobicContact CG-CG 3.87Å; F498-E502 PolarHBondContact O-N 2.88Å; E499-E502 PolarHBondContact O-N 3.48Å; E499-E502 VanDerWaalsContact O-N 3.11Å; R500-E502 VanDerWaalsContact C-N 3.33Å; R500-E502 PolarHBondContact O-N 2.92Å; E502-F506 WeakPolarHBondContact O-CD2 3.43Å
503Y94.2Very high91.5Very high7 Ų726.5 Ų26.53%0.02712%0.12CC..Hα-helixtrans-112-36.7-163.3-55-50.1000114.7M290 T352 T353 N354 D479 L483 E499 R500 K505 F506 T507M290-Y503 HydrophobicContact CE-CD2 4.36Å; T352-Y503 HydrophobicContact CG2-CD1 3.74Å; T352-Y503 HydrophobicContact CG2-CE1 3.62Å; T352-Y503 HydrophobicContact CG2-CG 4.37Å; T353-Y503 PolarHBondContact N-OH 3.34Å; T353-Y503 VanDerWaalsContact N-OH 3.16Å; N354-Y503 HydrophobicContact CB-CD2 3.66Å; N354-Y503 HydrophobicContact CB-CE2 3.86Å; D479-Y503 WeakPolarHBondContact OD1-CE1 3.48Å; D479-Y503 PolarHBondContact OD1-OH 3.27Å; L483-Y503 HydrophobicContact CD1-CD2 4.4Å; L483-Y503 HydrophobicContact CD1-CE2 3.4Å; L483-Y503 WeakPolarHBondContact CD1-OH 3.25Å; E499-Y503 HydrophobicContact CB-CD2 4.1Å; E499-Y503 HydrophobicContact CB-CE2 4.26Å; E499-Y503 HydrophobicContact CG-CE2 4.41Å; E499-Y503 WeakPolarHBondContact O-CD2 3.35Å; E499-Y503 PolarHBondContact O-N 3.33Å; R500-Y503 PolarHBondContact O-N 3.37Å; Y503-K505 PolarHBondContact O-N 3.06Å; Y503-F506 PolarHBondContact O-N 2.87Å; Y503-T507 HydrophobicContact CD1-CG2 3.92Å; Y503-T507 HydrophobicContact CG-CG2 4.14Å; Y503-T507 PolarHBondContact O-N 3.4Å; Y503-T507 PolarHBondContact O-OG1 3.18Å
504L93.6Very high91.4Very high1 Ų125.1 Ų25.11%0.00511%0.113CC..THydrogen-bonded Turntrans-51.6-40.6-161.7-172.767.4000114F179 F184 T187 S288 M290 P293 R500F179-L504 HydrophobicContact CE2-CD1 4.39Å; F184-L504 HydrophobicContact CB-CD2 3.95Å; F184-L504 HydrophobicContact CD1-CD2 3.58Å; F184-L504 HydrophobicContact CD1-CG 3.94Å; F184-L504 HydrophobicContact CD2-CD2 4.12Å; F184-L504 HydrophobicContact CD2-CG 3.93Å; F184-L504 HydrophobicContact CE1-CD1 4.14Å; F184-L504 HydrophobicContact CE1-CD2 4.03Å; F184-L504 HydrophobicContact CE1-CG 3.93Å; F184-L504 HydrophobicContact CE2-CG 3.95Å; F184-L504 WeakPolarHBondContact CE2-O 3.21Å; F184-L504 HydrophobicContact CG-CD2 3.61Å; F184-L504 HydrophobicContact CG-CG 3.93Å; F184-L504 HydrophobicContact CZ-CD1 4.24Å; F184-L504 HydrophobicContact CZ-CG 3.95Å; T187-L504 HydrophobicContact CG2-CD2 3.46Å; T187-L504 VanDerWaalsContact CG2-CD2 3.46Å; S288-L504 VanDerWaalsContact CB-O 3.31Å; S288-L504 WeakPolarHBondContact CB-O 3.47Å; S288-L504 PolarHBondContact OG-O 2.87Å; M290-L504 HydrophobicContact SD-CB 4.15Å; M290-L504 HydrophobicContact SD-CD1 4.09Å; P293-L504 HydrophobicContact CB-CD1 3.86Å; R500-L504 HydrophobicContact CB-CB 4.14Å; R500-L504 HydrophobicContact CB-CD2 4.24Å; R500-L504 HydrophobicContact CG-CD1 4.49Å; R500-L504 HydrophobicContact CG-CD2 4.44Å; R500-L504 WeakPolarHBondContact O-CB 3.24Å; R500-L504 PolarHBondContact O-N 3.47Å
505K90.3Very high91.4Very high102 Ų10220.9 Ų20.944%0.4439%0.094SC..THydrogen-bonded Turntrans-88.5-34.8-179-170.3170-169.5157.20113.6F184 E185 K277 Y503F184-K505 HydrophobicContact CD2-CB 4.33Å; E185-K505 IonicContact OE1-NZ 3.58Å; E185-K505 PolarHBondContact OE1-NZ 3.23Å; E185-K505 VanDerWaalsContact OE1-NZ 3.08Å; K277-K505 PolarHBondContact NZ-O 2.87Å; Y503-K505 PolarHBondContact O-N 3.06Å
506F85.3Confident91.3Very high50 Ų5021.7 Ų21.722%0.21910%0.095CC..THydrogen-bonded Turntrans-92.7-41-164.8-57.4-76.6000112.6I41 P71 K277 E502 Y503I41-F506 HydrophobicContact CD1-CB 3.99Å; I41-F506 HydrophobicContact CD1-CD1 4.48Å; I41-F506 HydrophobicContact CG1-CB 4.34Å; P71-F506 HydrophobicContact CB-CB 3.96Å; P71-F506 HydrophobicContact CB-CD1 4.28Å; P71-F506 HydrophobicContact CB-CD2 3.63Å; P71-F506 HydrophobicContact CB-CE2 4.17Å; P71-F506 HydrophobicContact CB-CG 3.67Å; P71-F506 WeakPolarHBondContact O-CD1 3.29Å; P71-F506 WeakPolarHBondContact O-CE1 3.43Å; P71-F506 WeakPolarHBondContact O-CZ 3.46Å; K277-F506 PolarHBondContact NZ-O 3.3Å; K277-F506 VanDerWaalsContact NZ-O 3.17Å; E502-F506 WeakPolarHBondContact O-CD2 3.43Å; Y503-F506 PolarHBondContact O-N 2.87Å
507T76.6Confident91.1Very high17 Ų1723.6 Ų23.610%0.10410%0.104CC..  trans-64.10179.655.20000112.3K273 K277 F289 M290 T352 A399 Y503K273-T507 WeakPolarHBondContact CE-OXT 3.38Å; K273-T507 PolarHBondContact NZ-OXT 3.37Å; K277-T507 VanDerWaalsContact CE-O 3.31Å; K277-T507 WeakPolarHBondContact CE-O 3.29Å; K277-T507 PolarHBondContact NZ-O 3.13Å; F289-T507 PolarHBondContact N-O 3.21Å; M290-T507 VanDerWaalsContact CA-OG1 3.28Å; M290-T507 WeakPolarHBondContact CA-OG1 3.5Å; M290-T507 PolarHBondContact N-OG1 3.22Å; M290-T507 VanDerWaalsContact N-OG1 3.1Å; T352-T507 HydrophobicContact CG2-CG2 4.08Å; A399-T507 HydrophobicContact CB-CG2 3.75Å; Y503-T507 HydrophobicContact CD1-CG2 3.92Å; Y503-T507 HydrophobicContact CG-CG2 4.14Å; Y503-T507 PolarHBondContact O-N 3.4Å; Y503-T507 PolarHBondContact O-OG1 3.18Å

Retrieved 507 of 507 residues in 1062.5 ms (Link to these results)

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