A0A096MWY6_PAPAN Loading...

Exosome complex component RRP43

AlphaFold DB , UniProt , Accession A0A096MWY6, Species PAPAN (Papio anubis, Olive baboon), Gene EXOSC8, Length 276 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
1M53.3Low71.2Confident227 Ų22789.2 Ų89.2100%1.11853%0.526SS*.  0-46.20-82.8-164.2-84.100112.9A3 G4 F5M1-A3 PolarHBondContact O-N 2.94Å; M1-G4 PolarHBondContact O-N 2.99Å; M1-F5 PolarHBondContact O-N 3.39Å
2A60.3Low72.2Confident59 Ų5987.9 Ų87.949%0.48851%0.511SS..Hα-helixtrans-59.8-42.3-178.900000114.9G4 F5 K6 Y13A2-G4 PolarHBondContact O-N 3.37Å; A2-F5 PolarHBondContact O-N 3.31Å; A2-K6 PolarHBondContact O-N 3.04Å; A2-Y13 HydrophobicContact CB-CE2 4.38Å
3A62.9Low73.1Confident77 Ų7783.8 Ų83.864%0.63648%0.483SS*.Hα-helixtrans-63.9-38.4-179.300000113.4M1 K6 T7M1-A3 PolarHBondContact O-N 2.94Å; A3-K6 WeakPolarHBondContact O-CB 3.46Å; A3-K6 PolarHBondContact O-N 2.89Å; A3-T7 PolarHBondContact O-N 3.11Å; A3-T7 PolarHBondContact O-OG1 3.1Å
4G67Low73.8Confident41 Ų4178.3 Ų78.342%0.42345%0.45SS..Hα-helixtrans-69.4-32.5176.900000113M1 A2 T7 V8M1-G4 PolarHBondContact O-N 2.99Å; A2-G4 PolarHBondContact O-N 3.37Å; G4-T7 PolarHBondContact O-N 3.21Å; G4-V8 VanDerWaalsContact O-CG2 3.28Å; G4-V8 WeakPolarHBondContact O-CG2 3.31Å; G4-V8 PolarHBondContact O-N 3.42Å; G4-V8 VanDerWaalsContact O-N 3.12Å
5F68Low74.5Confident68 Ų6879.6 Ų79.630%0.29845%0.445SS..Hα-helixtrans-70.5-37.5174.5-163-97.2000111.7M1 A2 T7 V8 E9 E12 Y13M1-F5 PolarHBondContact O-N 3.39Å; A2-F5 PolarHBondContact O-N 3.31Å; F5-T7 VanDerWaalsContact C-N 3.27Å; F5-T7 PolarHBondContact O-N 3.47Å; F5-V8 PolarHBondContact O-N 3.26Å; F5-E9 CarbonylContact O-C 3.03Å; F5-E9 PolarHBondContact O-N 3.11Å; F5-E12 HydrophobicContact CE1-CB 4.12Å; F5-E12 HydrophobicContact CZ-CB 4.26Å; F5-Y13 AromaticContact CD1-CD2 4Å; F5-Y13 HydrophobicContact CD1-CD2 4Å; F5-Y13 HydrophobicContact CD1-CG 4.47Å
6K73.3Confident75.2Confident62 Ų6283.2 Ų83.227%0.2745%0.449SS..Hα-helixtrans-58.3-38.6172.2-173.6-179179-174.20112.1A2 A3 P10 Y13 E213A2-K6 PolarHBondContact O-N 3.04Å; A3-K6 WeakPolarHBondContact O-CB 3.46Å; A3-K6 PolarHBondContact O-N 2.89Å; K6-P10 WeakPolarHBondContact O-CA 3.31Å; K6-P10 WeakPolarHBondContact O-CB 3.48Å; K6-Y13 HydrophobicContact CB-CD1 4.08Å; K6-Y13 HydrophobicContact CB-CD2 4.37Å; K6-Y13 HydrophobicContact CB-CE1 4.2Å; K6-Y13 HydrophobicContact CB-CE2 4.47Å; K6-Y13 HydrophobicContact CB-CG 4.17Å; K6-Y13 HydrophobicContact CD-CD1 4.44Å; K6-Y13 HydrophobicContact CD-CE1 4.1Å; K6-Y13 HydrophobicContact CG-CD1 3.95Å; K6-Y13 HydrophobicContact CG-CE1 4.08Å; K6-Y13 HydrophobicContact CG-CG 4.47Å; K6-E213 WeakPolarHBondContact CE-OE1 3.36Å; K6-E213 WeakPolarHBondContact CE-OE2 3.42Å; K6-E213 IonicContact NZ-OE1 3.41Å; K6-E213 PolarHBondContact NZ-OE1 2.95Å; K6-E213 IonicContact NZ-OE2 2.62Å; K6-E213 PolarHBondContact NZ-OE2 3.26Å
7T74.7Confident75.7Confident118 Ų11881.6 Ų81.672%0.72444%0.437SS*.Hα-helixtrans-77.5-37.1-178.6-29.20000113.1A3 G4 F5A3-T7 PolarHBondContact O-N 3.11Å; A3-T7 PolarHBondContact O-OG1 3.1Å; G4-T7 PolarHBondContact O-N 3.21Å; F5-T7 VanDerWaalsContact C-N 3.27Å; F5-T7 PolarHBondContact O-N 3.47Å
8V78.1Confident76.2Confident125 Ų12577.1 Ų77.176%0.75841%0.413SS*.Hα-helixtrans-83.1-39.9-175.3176.80000111.6G4 F5G4-V8 VanDerWaalsContact O-CG2 3.28Å; G4-V8 WeakPolarHBondContact O-CG2 3.31Å; G4-V8 PolarHBondContact O-N 3.42Å; G4-V8 VanDerWaalsContact O-N 3.12Å; F5-V8 PolarHBondContact O-N 3.26Å
9E82.9Confident76.6Confident80 Ų8081.8 Ų81.837%0.37443%0.43SS..  trans-14175.8-179.5-155176.2139.300111.9F5 L11 E12 Y13F5-E9 CarbonylContact O-C 3.03Å; F5-E9 PolarHBondContact O-N 3.11Å; E9-L11 VanDerWaalsContact C-N 3.32Å; E9-L11 PolarHBondContact O-N 3.28Å; E9-E12 HydrophobicContact CG-CB 4.01Å; E9-E12 PolarHBondContact O-N 3Å; E9-E12 WeakPolarHBondContact OE1-CB 3.08Å; E9-E12 WeakPolarHBondContact OE1-CG 3.32Å; E9-Y13 PolarHBondContact O-N 3.09Å
10P81.9Confident77Confident43 Ų4385.3 Ų85.328%0.27944%0.443SS..Hα-helixtrans-63.6-36.8-174.922.7-32.4000112.5K6 Y13 Y14 L217K6-P10 WeakPolarHBondContact O-CA 3.31Å; K6-P10 WeakPolarHBondContact O-CB 3.48Å; P10-Y13 WeakPolarHBondContact O-CB 3.38Å; P10-Y13 PolarHBondContact O-N 3.44Å; P10-Y14 WeakPolarHBondContact O-CD2 3.38Å; P10-Y14 PolarHBondContact O-N 2.88Å; P10-L217 HydrophobicContact CB-CD1 4.12Å; P10-L217 HydrophobicContact CB-CD2 4.19Å; P10-L217 HydrophobicContact CG-CD2 4.19Å
11L81.3Confident77.2Confident81 Ų8185.9 Ų85.942%0.42445%0.447SS..Hα-helixtrans-61.7-48.7-179-71.7168.2000112.2E9 Y13 R15 L217E9-L11 VanDerWaalsContact C-N 3.32Å; E9-L11 PolarHBondContact O-N 3.28Å; L11-Y13 VanDerWaalsContact C-N 3.34Å; L11-R15 WeakPolarHBondContact O-CB 3.32Å; L11-R15 VanDerWaalsContact O-CG 3.26Å; L11-R15 WeakPolarHBondContact O-CG 3.39Å; L11-R15 PolarHBondContact O-N 3.31Å; L11-L217 HydrophobicContact CD2-CB 3.89Å; L11-L217 HydrophobicContact CD2-CD2 3.51Å; L11-L217 HydrophobicContact CD2-CG 4.21Å; L11-L217 HydrophobicContact CG-CD2 3.81Å
12E82.6Confident78.7Confident74 Ų7477 Ų7735%0.34641%0.407SS..Hα-helixtrans-66.8-37.6177.4-99.2-164-168.900112.4F5 E9 R15 R16F5-E12 HydrophobicContact CE1-CB 4.12Å; F5-E12 HydrophobicContact CZ-CB 4.26Å; E9-E12 HydrophobicContact CG-CB 4.01Å; E9-E12 PolarHBondContact O-N 3Å; E9-E12 WeakPolarHBondContact OE1-CB 3.08Å; E9-E12 WeakPolarHBondContact OE1-CG 3.32Å; E12-R15 PolarHBondContact O-N 2.86Å; E12-R16 WeakPolarHBondContact O-CG 3.19Å; E12-R16 PolarHBondContact O-N 3.08Å; E12-R16 IonicContact OE2-NH2 3Å; E12-R16 PolarHBondContact OE2-NH2 2.95Å
13Y84.5Confident79.8Confident35 Ų3574.3 Ų74.314%0.13738%0.384CS..Hα-helixtrans-56.6-56.7175.3-178.6-99.5000110.2A2 F5 K6 E9 P10 L11 R15 R16 F17 P24A2-Y13 HydrophobicContact CB-CE2 4.38Å; F5-Y13 AromaticContact CD1-CD2 4Å; F5-Y13 HydrophobicContact CD1-CD2 4Å; F5-Y13 HydrophobicContact CD1-CG 4.47Å; K6-Y13 HydrophobicContact CB-CD1 4.08Å; K6-Y13 HydrophobicContact CB-CD2 4.37Å; K6-Y13 HydrophobicContact CB-CE1 4.2Å; K6-Y13 HydrophobicContact CB-CE2 4.47Å; K6-Y13 HydrophobicContact CB-CG 4.17Å; K6-Y13 HydrophobicContact CD-CD1 4.44Å; K6-Y13 HydrophobicContact CD-CE1 4.1Å; K6-Y13 HydrophobicContact CG-CD1 3.95Å; K6-Y13 HydrophobicContact CG-CE1 4.08Å; K6-Y13 HydrophobicContact CG-CG 4.47Å; E9-Y13 PolarHBondContact O-N 3.09Å; P10-Y13 WeakPolarHBondContact O-CB 3.38Å; P10-Y13 PolarHBondContact O-N 3.44Å; L11-Y13 VanDerWaalsContact C-N 3.34Å; Y13-R15 PolarHBondContact O-N 2.86Å; Y13-R16 PolarHBondContact O-N 3.08Å; Y13-R16 VanDerWaalsContact O-N 3.16Å; Y13-F17 HydrophobicContact CD1-CD2 4.19Å; Y13-F17 HydrophobicContact CD1-CE2 4.02Å; Y13-F17 AromaticContact CD2-CE2 3.78Å; Y13-F17 HydrophobicContact CD2-CE2 3.78Å; Y13-F17 AromaticContact CE1-CD2 3.98Å; Y13-F17 HydrophobicContact CE1-CD2 3.98Å; Y13-F17 AromaticContact CE1-CE2 3.58Å; Y13-F17 HydrophobicContact CE1-CE2 3.58Å; Y13-F17 HydrophobicContact CE1-CZ 4.43Å; Y13-F17 HydrophobicContact CE2-CD2 4.39Å; Y13-F17 AromaticContact CE2-CE2 3.34Å; Y13-F17 HydrophobicContact CE2-CE2 3.34Å; Y13-F17 AromaticContact CE2-CZ 3.94Å; Y13-F17 HydrophobicContact CE2-CZ 3.94Å; Y13-F17 HydrophobicContact CG-CD2 4.48Å; Y13-F17 HydrophobicContact CG-CE2 4.11Å; Y13-F17 AromaticContact CZ-CE2 3.21Å; Y13-F17 AromaticContact CZ-CZ 3.75Å; Y13-F17 WeakPolarHBondContact O-CD2 3.08Å; Y13-F17 PolarHBondContact O-N 3.04Å; Y13-P24 HydrophobicContact CE1-CB 3.92Å
14Y83.1Confident80.7Confident6 Ų672.7 Ų72.72%0.02437%0.367CS..Hα-helixtrans-61.5-41.2179.3-86.4-97.9000112.4P10 R16 F17 L18 P24 E213 E214 L217P10-Y14 WeakPolarHBondContact O-CD2 3.38Å; P10-Y14 PolarHBondContact O-N 2.88Å; Y14-R16 VanDerWaalsContact C-N 3.26Å; Y14-R16 PolarHBondContact O-N 2.9Å; Y14-F17 PolarHBondContact O-N 3.15Å; Y14-L18 WeakPolarHBondContact O-CB 3.22Å; Y14-L18 VanDerWaalsContact O-CG 3.23Å; Y14-L18 WeakPolarHBondContact O-CG 3.18Å; Y14-L18 PolarHBondContact O-N 3.3Å; Y14-P24 HydrophobicContact CD1-CG 3.94Å; Y14-P24 HydrophobicContact CE1-CG 3.35Å; Y14-P24 HydrophobicContact CE2-CG 4.45Å; Y14-E213 PolarHBondContact OH-OE2 3Å; Y14-E214 HydrophobicContact CD1-CG 3.86Å; Y14-E214 HydrophobicContact CE1-CG 3.35Å; Y14-L217 HydrophobicContact CD2-CD1 3.64Å; Y14-L217 HydrophobicContact CE2-CD1 3.95Å; Y14-L217 HydrophobicContact CG-CD1 4.05Å
15R83.5Confident81.3Confident98 Ų9875.5 Ų75.537%0.3737%0.372SS..Hα-helixtrans-57.7-35.5176.1-80.7175.5171.1157.32.6113.3L11 E12 Y13 K19 D202L11-R15 WeakPolarHBondContact O-CB 3.32Å; L11-R15 VanDerWaalsContact O-CG 3.26Å; L11-R15 WeakPolarHBondContact O-CG 3.39Å; L11-R15 PolarHBondContact O-N 3.31Å; E12-R15 PolarHBondContact O-N 2.86Å; Y13-R15 PolarHBondContact O-N 2.86Å; R15-K19 WeakPolarHBondContact O-CB 3.45Å; R15-K19 VanDerWaalsContact O-CG 3.28Å; R15-K19 WeakPolarHBondContact O-CG 3.24Å; R15-K19 PolarHBondContact O-N 2.78Å; R15-D202 WeakPolarHBondContact CG-OD2 3.39Å; R15-D202 IonicContact CZ-OD1 3.18Å; R15-D202 IonicContact CZ-OD2 2.72Å; R15-D202 IonicContact NE-OD1 3.97Å; R15-D202 PolarHBondContact NE-OD1 3.25Å; R15-D202 IonicContact NE-OD2 3.2Å; R15-D202 PolarHBondContact NE-OD2 2.87Å; R15-D202 IonicContact NH2-OD1 2.78Å; R15-D202 PolarHBondContact NH2-OD1 3.46Å; R15-D202 IonicContact NH2-OD2 3.28Å
16R85.5Confident81.8Confident137 Ų13775.5 Ų75.552%0.51739%0.392SS..Hα-helixtrans-66-46.1177.7-73177.5-167.4-167.16.9111.6E12 Y13 Y14 K19 E20E12-R16 WeakPolarHBondContact O-CG 3.19Å; E12-R16 PolarHBondContact O-N 3.08Å; E12-R16 IonicContact OE2-NH2 3Å; E12-R16 PolarHBondContact OE2-NH2 2.95Å; Y13-R16 PolarHBondContact O-N 3.08Å; Y13-R16 VanDerWaalsContact O-N 3.16Å; Y14-R16 VanDerWaalsContact C-N 3.26Å; Y14-R16 PolarHBondContact O-N 2.9Å; R16-K19 PolarHBondContact O-N 3.31Å; R16-E20 PolarHBondContact O-N 2.62Å
17F84.3Confident82.4Confident56 Ų5673.5 Ų73.525%0.24638%0.382CS..Hα-helixtrans-64.3-45.7176-70.8-81.5000111.4Y13 Y14 K19 E20 N21 C22 P24Y13-F17 HydrophobicContact CD1-CD2 4.19Å; Y13-F17 HydrophobicContact CD1-CE2 4.02Å; Y13-F17 AromaticContact CD2-CE2 3.78Å; Y13-F17 HydrophobicContact CD2-CE2 3.78Å; Y13-F17 AromaticContact CE1-CD2 3.98Å; Y13-F17 HydrophobicContact CE1-CD2 3.98Å; Y13-F17 AromaticContact CE1-CE2 3.58Å; Y13-F17 HydrophobicContact CE1-CE2 3.58Å; Y13-F17 HydrophobicContact CE1-CZ 4.43Å; Y13-F17 HydrophobicContact CE2-CD2 4.39Å; Y13-F17 AromaticContact CE2-CE2 3.34Å; Y13-F17 HydrophobicContact CE2-CE2 3.34Å; Y13-F17 AromaticContact CE2-CZ 3.94Å; Y13-F17 HydrophobicContact CE2-CZ 3.94Å; Y13-F17 HydrophobicContact CG-CD2 4.48Å; Y13-F17 HydrophobicContact CG-CE2 4.11Å; Y13-F17 AromaticContact CZ-CE2 3.21Å; Y13-F17 AromaticContact CZ-CZ 3.75Å; Y13-F17 WeakPolarHBondContact O-CD2 3.08Å; Y13-F17 PolarHBondContact O-N 3.04Å; Y14-F17 PolarHBondContact O-N 3.15Å; F17-K19 VanDerWaalsContact C-N 3.27Å; F17-K19 PolarHBondContact O-N 3.14Å; F17-E20 CarbonylContact O-C 3.45Å; F17-E20 WeakPolarHBondContact O-CA 3.43Å; F17-E20 PolarHBondContact O-N 3.32Å; F17-N21 PolarHBondContact O-N 2.84Å; F17-C22 CarbonylContact C-O 3.58Å; F17-C22 VanDerWaalsContact CB-O 3.28Å; F17-C22 WeakPolarHBondContact CB-O 3.45Å; F17-C22 PolarHBondContact O-N 3.34Å; F17-C22 VanDerWaalsContact O-N 3.1Å; F17-C22 PolarHBondContact O-SG 3.01Å; F17-C22 VanDerWaalsContact O-SG 3.34Å; F17-P24 HydrophobicContact CD2-CB 4.45Å
18L83.9Confident82.9Confident1 Ų174.6 Ų74.61%0.00538%0.379CS..Hα-helixtrans-62.8-32.8-179.9-68.9172.6000112.6Y14 E20 N21 L29 F201 L205 I207Y14-L18 WeakPolarHBondContact O-CB 3.22Å; Y14-L18 VanDerWaalsContact O-CG 3.23Å; Y14-L18 WeakPolarHBondContact O-CG 3.18Å; Y14-L18 PolarHBondContact O-N 3.3Å; L18-E20 VanDerWaalsContact C-N 3.28Å; L18-E20 PolarHBondContact O-N 2.91Å; L18-N21 PolarHBondContact O-N 3.28Å; L18-N21 VanDerWaalsContact O-N 3.16Å; L18-L29 HydrophobicContact CD2-CD2 3.74Å; L18-F201 HydrophobicContact CD1-CB 4.05Å; L18-F201 HydrophobicContact CD1-CD1 3.86Å; L18-F201 HydrophobicContact CD1-CD2 3.9Å; L18-F201 HydrophobicContact CD1-CE1 4.26Å; L18-F201 HydrophobicContact CD1-CE2 4.31Å; L18-F201 HydrophobicContact CD1-CG 3.65Å; L18-F201 HydrophobicContact CD1-CZ 4.46Å; L18-L205 HydrophobicContact CB-CD1 3.76Å; L18-I207 HydrophobicContact CD2-CG2 3.73Å
19K84.2Confident83.1Confident167 Ų16769.9 Ų69.973%0.72635%0.35SS*.Hα-helixtrans-65.3-30.2171.9-81.3178.4-179.8-177.80113.3R15 R16 F17 N21R15-K19 WeakPolarHBondContact O-CB 3.45Å; R15-K19 VanDerWaalsContact O-CG 3.28Å; R15-K19 WeakPolarHBondContact O-CG 3.24Å; R15-K19 PolarHBondContact O-N 2.78Å; R16-K19 PolarHBondContact O-N 3.31Å; F17-K19 VanDerWaalsContact C-N 3.27Å; F17-K19 PolarHBondContact O-N 3.14Å; K19-N21 VanDerWaalsContact C-N 3.27Å
20E84.8Confident83.1Confident151 Ų15167.7 Ų67.771%0.70635%0.349SS*.THydrogen-bonded Turntrans-88.67.6175.5-67.9-176.9-178.600112.4R16 F17 L18 C22R16-E20 PolarHBondContact O-N 2.62Å; F17-E20 CarbonylContact O-C 3.45Å; F17-E20 WeakPolarHBondContact O-CA 3.43Å; F17-E20 PolarHBondContact O-N 3.32Å; L18-E20 VanDerWaalsContact C-N 3.28Å; L18-E20 PolarHBondContact O-N 2.91Å; E20-C22 PolarHBondContact O-N 3.18Å
21N82.1Confident83.1Confident98 Ų9870.1 Ų70.152%0.52436%0.356SS..THydrogen-bonded Turntrans5721.7-174.8-60-64000114.4F17 L18 K19 L29F17-N21 PolarHBondContact O-N 2.84Å; L18-N21 PolarHBondContact O-N 3.28Å; L18-N21 VanDerWaalsContact O-N 3.16Å; K19-N21 VanDerWaalsContact C-N 3.27Å; N21-L29 HydrophobicContact CB-CD1 4.26Å; N21-L29 WeakPolarHBondContact OD1-CD1 3.5Å
22C83.7Confident83.3Confident39 Ų3967.8 Ų67.826%0.26434%0.343SS..BIsolated β-bridgetrans-111.6153.1175.460.90000110F17 E20F17-C22 CarbonylContact C-O 3.58Å; F17-C22 VanDerWaalsContact CB-O 3.28Å; F17-C22 WeakPolarHBondContact CB-O 3.45Å; F17-C22 PolarHBondContact O-N 3.34Å; F17-C22 VanDerWaalsContact O-N 3.1Å; F17-C22 PolarHBondContact O-SG 3.01Å; F17-C22 VanDerWaalsContact O-SG 3.34Å; E20-C22 PolarHBondContact O-N 3.18Å
23R84.6Confident83.6Confident4 Ų465 Ų652%0.01533%0.329CS..  trans-99.3154.5169.8-67.8171.572.7173.30.2109.3D25 G26 R27 E28 V208 D209 E214R23-D25 PolarHBondContact O-N 2.95Å; R23-D25 VanDerWaalsContact O-N 3.09Å; R23-G26 PolarHBondContact O-N 3.12Å; R23-R27 WeakPolarHBondContact CB-O 3.22Å; R23-R27 PolarHBondContact N-O 3.07Å; R23-E28 WeakPolarHBondContact CD-O 3.37Å; R23-V208 PolarHBondContact NH1-O 2.9Å; R23-D209 PolarHBondContact NH2-O 2.82Å; R23-E214 IonicContact CZ-OE1 2.94Å; R23-E214 IonicContact CZ-OE2 2.95Å; R23-E214 IonicContact NE-OE1 2.66Å; R23-E214 PolarHBondContact NE-OE1 3.22Å; R23-E214 IonicContact NE-OE2 2.8Å; R23-E214 IonicContact NH2-OE1 2.77Å; R23-E214 PolarHBondContact NH2-OE1 3.17Å; R23-E214 IonicContact NH2-OE2 3.32Å; R23-E214 PolarHBondContact NH2-OE2 3.32Å
24P81.2Confident83.7Confident42 Ų4268.7 Ų68.727%0.27336%0.356SS..THydrogen-bonded Turntrans-62.4-16.7175.224.1-32.3000113.5Y13 Y14 F17 G26Y13-P24 HydrophobicContact CE1-CB 3.92Å; Y14-P24 HydrophobicContact CD1-CG 3.94Å; Y14-P24 HydrophobicContact CE1-CG 3.35Å; Y14-P24 HydrophobicContact CE2-CG 4.45Å; F17-P24 HydrophobicContact CD2-CB 4.45Å; P24-G26 VanDerWaalsContact C-N 3.29Å
25D78.2Confident84Confident100 Ų10069.5 Ų69.554%0.53536%0.361SS..THydrogen-bonded Turntrans-82.1-3.6173.1-16325000113.1R23 R27R23-D25 PolarHBondContact O-N 2.95Å; R23-D25 VanDerWaalsContact O-N 3.09Å; D25-R27 VanDerWaalsContact C-N 3.28Å; D25-R27 PolarHBondContact O-N 2.81Å; D25-R27 IonicContact OD2-CZ 3.74Å; D25-R27 IonicContact OD2-NE 2.79Å; D25-R27 PolarHBondContact OD2-NE 2.84Å; D25-R27 IonicContact OD2-NH2 2.91Å; D25-R27 PolarHBondContact OD2-NH2 2.87Å
26G80.4Confident84.4Confident69 Ų6968 Ų6871%0.71136%0.363SS*.SBendtrans83.5-4.3-176.600000115R23 P24R23-G26 PolarHBondContact O-N 3.12Å; P24-G26 VanDerWaalsContact C-N 3.29Å
27R84.9Confident84.7Confident20 Ų2062.3 Ų62.38%0.07534%0.343CS..  trans-78.1156.4177.6-73-170.8-72.4140.3-3.9113.5R23 D25 E31 R33 D209R23-R27 WeakPolarHBondContact CB-O 3.22Å; R23-R27 PolarHBondContact N-O 3.07Å; D25-R27 VanDerWaalsContact C-N 3.28Å; D25-R27 PolarHBondContact O-N 2.81Å; D25-R27 IonicContact OD2-CZ 3.74Å; D25-R27 IonicContact OD2-NE 2.79Å; D25-R27 PolarHBondContact OD2-NE 2.84Å; D25-R27 IonicContact OD2-NH2 2.91Å; D25-R27 PolarHBondContact OD2-NH2 2.87Å; R27-E31 VanDerWaalsContact CA-OE2 3.29Å; R27-E31 WeakPolarHBondContact CA-OE2 3.36Å; R27-E31 HydrophobicContact CB-CB 4.19Å; R27-E31 HydrophobicContact CB-CG 4.44Å; R27-E31 WeakPolarHBondContact CB-OE2 3.47Å; R27-E31 HydrophobicContact CG-CG 4.24Å; R27-E31 PolarHBondContact NH1-O 2.77Å; R27-R33 VanDerWaalsContact NH1-CG 3.35Å; R27-D209 IonicContact NH1-OD2 3.66Å
28E86.2Confident85Confident141 Ų14164 Ų6466%0.65936%0.355SS*.BIsolated β-bridgetrans-76.6166.1168.8-64.2-170.8172.900112.1R23 G30 E31R23-E28 WeakPolarHBondContact CD-O 3.37Å; E28-G30 PolarHBondContact O-N 2.82Å; E28-E31 HydrophobicContact CB-CB 4.3Å; E28-E31 PolarHBondContact N-OE2 2.92Å; E28-E31 VanDerWaalsContact N-OE2 3.09Å; E28-E31 PolarHBondContact O-N 2.86Å
29L82.2Confident85.3Confident26 Ų2664.5 Ų64.514%0.13636%0.357CS..THydrogen-bonded Turntrans-60.2-28.7-179.8-59.2174.9000113.2L18 N21 I207 V208L18-L29 HydrophobicContact CD2-CD2 3.74Å; N21-L29 HydrophobicContact CB-CD1 4.26Å; N21-L29 WeakPolarHBondContact OD1-CD1 3.5Å; L29-I207 HydrophobicContact CD2-CG2 3.71Å; L29-V208 PolarHBondContact O-N 3.37Å
30G81.1Confident85.4Confident34 Ų3458.1 Ų58.135%0.35134%0.339SS..THydrogen-bonded Turntrans-99.11.6-177.400000115.1E28E28-G30 PolarHBondContact O-N 2.82Å
31E83.5Confident85.4Confident94 Ų9453.7 Ų53.744%0.43933%0.325SS..PPolyproline II helixtrans-92.5122.3-168.4-172.5176.9-174.300112.2R27 E28R27-E31 VanDerWaalsContact CA-OE2 3.29Å; R27-E31 WeakPolarHBondContact CA-OE2 3.36Å; R27-E31 HydrophobicContact CB-CB 4.19Å; R27-E31 HydrophobicContact CB-CG 4.44Å; R27-E31 WeakPolarHBondContact CB-OE2 3.47Å; R27-E31 HydrophobicContact CG-CG 4.24Å; R27-E31 PolarHBondContact NH1-O 2.77Å; E28-E31 HydrophobicContact CB-CB 4.3Å; E28-E31 PolarHBondContact N-OE2 2.92Å; E28-E31 VanDerWaalsContact N-OE2 3.09Å; E28-E31 PolarHBondContact O-N 2.86Å
32F85.1Confident85.7Confident32 Ų3251.4 Ų51.414%0.1431%0.312CS..PPolyproline II helixtrans-79.1148177.3-68.9-91.7000111.5V208 D209 R258F32-V208 HydrophobicContact CD1-CG1 4.13Å; F32-V208 HydrophobicContact CD2-CG1 4.39Å; F32-V208 HydrophobicContact CE1-CG1 3.36Å; F32-V208 HydrophobicContact CE2-CG1 3.66Å; F32-V208 HydrophobicContact CZ-CB 4.39Å; F32-V208 HydrophobicContact CZ-CG1 3.09Å; F32-D209 HydrophobicContact CD1-CB 3.8Å; F32-D209 HydrophobicContact CE1-CB 4.3Å; F32-R258 HydrophobicContact CD1-CG 4.07Å; F32-R258 VanDerWaalsContact CD1-NE 3.31Å; F32-R258 HydrophobicContact CD2-CB 4.46Å; F32-R258 HydrophobicContact CD2-CG 4.2Å; F32-R258 HydrophobicContact CE1-CB 4.18Å; F32-R258 HydrophobicContact CE1-CG 3.51Å; F32-R258 HydrophobicContact CE2-CB 3.59Å; F32-R258 VanDerWaalsContact CE2-CD 3.49Å; F32-R258 HydrophobicContact CE2-CG 3.66Å; F32-R258 HydrophobicContact CG-CG 4.37Å; F32-R258 HydrophobicContact CZ-CB 3.4Å; F32-R258 HydrophobicContact CZ-CG 3.25Å
33R88.8Confident85.7Confident14 Ų1455.4 Ų55.45%0.05334%0.34CS..PPolyproline II helixtrans-64.4157.5170.4-74.7173.8-88-177.93.2111.6R27 T35 D145 D209 P210R27-R33 VanDerWaalsContact NH1-CG 3.35Å; R33-T35 PolarHBondContact O-N 3.26Å; R33-D145 PolarHBondContact NH1-O 3.37Å; R33-D145 IonicContact NH1-OD2 2.76Å; R33-D145 PolarHBondContact NH1-OD2 2.86Å; R33-D145 PolarHBondContact NH2-O 2.88Å; R33-D209 WeakPolarHBondContact CB-OD2 3.21Å; R33-D209 VanDerWaalsContact CG-OD2 3.28Å; R33-D209 WeakPolarHBondContact CG-OD2 3.26Å; R33-D209 IonicContact CZ-OD1 3.61Å; R33-D209 IonicContact CZ-OD2 2.99Å; R33-D209 PolarHBondContact N-OD2 2.84Å; R33-D209 IonicContact NE-OD1 3.39Å; R33-D209 PolarHBondContact NE-OD1 2.86Å; R33-D209 IonicContact NE-OD2 2.68Å; R33-D209 PolarHBondContact NE-OD2 2.85Å; R33-D209 IonicContact NH2-OD1 3.58Å; R33-D209 PolarHBondContact NH2-OD1 2.82Å; R33-D209 IonicContact NH2-OD2 3.3Å; R33-P210 VanDerWaalsContact NH2-C 3.34Å; R33-P210 PolarHBondContact NH2-O 2.93Å
34T87.1Confident85.8Confident114 Ų11460.2 Ų60.270%0.69937%0.371SS*.PPolyproline II helixtrans-55.9123.3170.4-50.10000109.9T36 G54T34-T36 HydrophobicContact CG2-CG2 4.47Å; T34-G54 PolarHBondContact O-N 2.93Å
35T89.8Confident86.2Confident22 Ų2259 Ų5914%0.13536%0.364CS..EExtended strand (participates in β ladder)trans-104.5123.6177.445.30000110.7R33 K52 L53 L265R33-T35 PolarHBondContact O-N 3.26Å; T35-K52 WeakPolarHBondContact CA-O 3.17Å; T35-L53 HydrophobicContact CG2-CB 4.49Å; T35-L53 HydrophobicContact CG2-CD2 3.3Å; T35-L53 HydrophobicContact CG2-CG 3.68Å; T35-L265 WeakPolarHBondContact OG1-CD1 3.46Å
36T91.2Very high86.7Confident68 Ų6856.2 Ų56.242%0.41735%0.349SS..EExtended strand (participates in β ladder)trans-119.2139.2174.255.80000108.9T34 V51 K52T34-T36 HydrophobicContact CG2-CG2 4.47Å; T36-V51 WeakPolarHBondContact O-CA 3.43Å; T36-K52 PolarHBondContact N-O 3.46Å; T36-K52 PolarHBondContact O-N 2.78Å; T36-K52 WeakPolarHBondContact OG1-CB 3.48Å; T36-K52 PolarHBondContact OG1-O 2.8Å
37V91.4Very high87.2Confident17 Ų1753 Ų5310%0.10332%0.316CS..EExtended strand (participates in β ladder)trans-135.1131.4-179.957.50000109.6I39 L50 V51 F154 A158 V269V37-I39 HydrophobicContact CG2-CG1 4.01Å; V37-L50 CarbonylContact C-O 3.57Å; V37-L50 WeakPolarHBondContact CA-O 3.3Å; V37-V51 HydrophobicContact CB-CG2 4.16Å; V37-V51 HydrophobicContact CG2-CG2 3.79Å; V37-F154 HydrophobicContact CB-CE1 3.98Å; V37-F154 HydrophobicContact CG1-CE1 4.19Å; V37-F154 HydrophobicContact CG1-CZ 4.33Å; V37-F154 HydrophobicContact CG2-CE1 4.42Å; V37-A158 HydrophobicContact CG2-CB 3.88Å; V37-V269 HydrophobicContact CG1-CB 4.13Å; V37-V269 HydrophobicContact CG1-CG1 4.11Å; V37-V269 HydrophobicContact CG1-CG2 3.47Å; V37-V269 VanDerWaalsContact CG1-CG2 3.47Å
38N91.1Very high87.6Confident90 Ų9052 Ų5248%0.48131%0.312SS..EExtended strand (participates in β ladder)trans-122.3100.1175.8-61.4-54.6000108S41 A49 L50N38-S41 WeakPolarHBondContact CB-OG 3.16Å; N38-S41 PolarHBondContact O-OG 3.12Å; N38-A49 WeakPolarHBondContact O-CA 3.33Å; N38-L50 HydrophobicContact CB-CB 4.33Å; N38-L50 PolarHBondContact N-O 2.87Å; N38-L50 PolarHBondContact O-N 2.88Å
39I90.2Very high88Confident12 Ų1245.3 Ų45.36%0.06228%0.281CS..EExtended strand (participates in β ladder)trans-77150177.9-48.2179.7000108.6V37 S41 A158 N162 V269 I270 M273V37-I39 HydrophobicContact CG2-CG1 4.01Å; I39-S41 VanDerWaalsContact C-N 3.28Å; I39-S41 PolarHBondContact O-N 3.04Å; I39-A158 HydrophobicContact CD1-CB 4.48Å; I39-A158 HydrophobicContact CG1-CB 4.28Å; I39-N162 HydrophobicContact CG2-CB 3.38Å; I39-V269 HydrophobicContact CD1-CB 4.45Å; I39-V269 HydrophobicContact CD1-CG1 3.66Å; I39-V269 HydrophobicContact CG1-CG1 3.81Å; I39-I270 HydrophobicContact CD1-CG1 4.13Å; I39-M273 HydrophobicContact CB-CE 4.06Å; I39-M273 HydrophobicContact CB-SD 3.53Å; I39-M273 VanDerWaalsContact CB-SD 3.53Å; I39-M273 HydrophobicContact CD1-SD 4.37Å; I39-M273 HydrophobicContact CG1-SD 4.08Å; I39-M273 WeakPolarHBondContact O-CE 3.48Å
40G86.1Confident88.6Confident34 Ų3446 Ų4635%0.35128%0.284SS..THydrogen-bonded Turntrans67.625.2177.200000114.6I42 S48 N162G40-I42 PolarHBondContact O-N 3.01Å; G40-S48 WeakPolarHBondContact CA-OG 3.31Å; G40-S48 PolarHBondContact N-O 2.86Å; G40-N162 VanDerWaalsContact CA-ND2 3.32Å; G40-N162 WeakPolarHBondContact CA-ND2 3.43Å
41S84.3Confident89.2Confident57 Ų5744.4 Ų44.440%0.39927%0.268SS..  trans-64-27.7-179.5-66.30000113N38 I39 S48 L50N38-S41 WeakPolarHBondContact CB-OG 3.16Å; N38-S41 PolarHBondContact O-OG 3.12Å; I39-S41 VanDerWaalsContact C-N 3.28Å; I39-S41 PolarHBondContact O-N 3.04Å; S41-S48 PolarHBondContact N-OG 3.13Å; S41-L50 WeakPolarHBondContact OG-CB 3.29Å
42I88.1Confident89.7Confident50 Ų5044.1 Ų44.126%0.25627%0.265SS..  trans-108.7115.2178.4-54.9167.2000108.6G40 T44 A45 S48 I59G40-I42 PolarHBondContact O-N 3.01Å; I42-T44 WeakPolarHBondContact CG2-OG1 3.44Å; I42-A45 HydrophobicContact CB-CB 4.21Å; I42-A45 HydrophobicContact CG2-CB 3.9Å; I42-S48 PolarHBondContact N-OG 2.84Å; I42-S48 PolarHBondContact O-OG 2.84Å; I42-S48 VanDerWaalsContact O-OG 3.05Å; I42-I59 HydrophobicContact CD1-CD1 3.59Å; I42-I59 HydrophobicContact CD1-CG1 3.9Å; I42-I59 HydrophobicContact CG1-CD1 3.84Å
43S84.3Confident90Very high123 Ų12343 Ų4386%0.8626%0.261SS*.SBendtrans-77.7-2317957.20000113.9A45S43-A45 VanDerWaalsContact C-N 3.34Å
44T87.6Confident90.1Very high106 Ų10643.4 Ų43.465%0.6527%0.269SS*.SBendtrans-79.2-18.6179.654.60000112.6I42 K63I42-T44 WeakPolarHBondContact CG2-OG1 3.44Å; T44-K63 VanDerWaalsContact O-CE 3.32Å; T44-K63 WeakPolarHBondContact O-CE 3.33Å; T44-K63 PolarHBondContact O-NZ 2.82Å
45A88.1Confident90.2Very high17 Ų1742.2 Ų42.214%0.1426%0.258CS..SBendtrans-92.3152.2179.900000111.5I42 S43 G47I42-A45 HydrophobicContact CB-CB 4.21Å; I42-A45 HydrophobicContact CG2-CB 3.9Å; S43-A45 VanDerWaalsContact C-N 3.34Å; A45-G47 VanDerWaalsContact C-N 3.31Å; A45-G47 WeakPolarHBondContact CB-O 3.31Å
46D90Very high90.3Very high41 Ų4141.2 Ų41.222%0.21925%0.252CS..SBendtrans-73.8-29.2-179.2-57.9-64.8000111.5V62 A64 V163 Q164D46-V62 PolarHBondContact N-O 3.06Å; D46-A64 PolarHBondContact OD2-N 2.62Å; D46-A64 VanDerWaalsContact OD2-N 3.08Å; D46-V163 WeakPolarHBondContact O-CA 3.45Å; D46-Q164 PolarHBondContact O-N 3.24Å; D46-Q164 VanDerWaalsContact O-N 3.1Å
47G90.6Very high90.5Very high0 Ų038.7 Ų38.70%024%0.237CC..EExtended strand (participates in β ladder)trans-141.9150.5165.200000109.8A45 V62A45-G47 VanDerWaalsContact C-N 3.31Å; A45-G47 WeakPolarHBondContact CB-O 3.31Å; G47-V62 PolarHBondContact N-O 2.9Å; G47-V62 PolarHBondContact O-N 3.3Å
48S93.8Very high90.7Very high0 Ų037.9 Ų37.90%023%0.232CC..EExtended strand (participates in β ladder)trans-158.1153.9175.358.50000111G40 S41 I42 C60G40-S48 WeakPolarHBondContact CA-OG 3.31Å; G40-S48 PolarHBondContact N-O 2.86Å; S41-S48 PolarHBondContact N-OG 3.13Å; I42-S48 PolarHBondContact N-OG 2.84Å; I42-S48 PolarHBondContact O-OG 2.84Å; I42-S48 VanDerWaalsContact O-OG 3.05Å; S48-C60 CarbonylContact C-O 3.27Å; S48-C60 WeakPolarHBondContact CA-O 3.32Å
49A94.4Very high90.9Very high0 Ų035.2 Ų35.20%022%0.217CC..EExtended strand (participates in β ladder)trans-151.9143.1169.800000110.4N38 I59 C60 A158 A159N38-A49 WeakPolarHBondContact O-CA 3.33Å; A49-I59 WeakPolarHBondContact O-CA 3.35Å; A49-C60 PolarHBondContact N-O 3.32Å; A49-C60 PolarHBondContact O-N 3.27Å; A49-A158 HydrophobicContact CB-CB 3.5Å; A49-A159 HydrophobicContact CB-CB 3.96Å
50L94.6Very high91.2Very high41 Ų4134.7 Ų34.722%0.21521%0.214CC..EExtended strand (participates in β ladder)trans-112.1119.5170.5177.170.7000107.6V37 N38 S41 T57 I59 L142V37-L50 CarbonylContact C-O 3.57Å; V37-L50 WeakPolarHBondContact CA-O 3.3Å; N38-L50 HydrophobicContact CB-CB 4.33Å; N38-L50 PolarHBondContact N-O 2.87Å; N38-L50 PolarHBondContact O-N 2.88Å; S41-L50 WeakPolarHBondContact OG-CB 3.29Å; L50-T57 HydrophobicContact CD1-CG2 3.63Å; L50-T57 HydrophobicContact CG-CG2 4.43Å; L50-I59 HydrophobicContact CD1-CB 3.87Å; L50-I59 HydrophobicContact CD1-CD1 4.33Å; L50-I59 HydrophobicContact CD1-CG1 4.21Å; L50-L142 HydrophobicContact CD1-CD1 4.13Å
51V94.3Very high91.6Very high0 Ų033.6 Ų33.60%020%0.203CC..EExtended strand (participates in β ladder)trans-113.3135.2177.2169.10000108.8T36 V37 L53 T57 V58 F154 A155T36-V51 WeakPolarHBondContact O-CA 3.43Å; V37-V51 HydrophobicContact CB-CG2 4.16Å; V37-V51 HydrophobicContact CG2-CG2 3.79Å; V51-L53 HydrophobicContact CG1-CD1 3.63Å; V51-L53 HydrophobicContact CG1-CG 4.29Å; V51-T57 WeakPolarHBondContact O-CA 3.09Å; V51-V58 PolarHBondContact N-O 2.94Å; V51-V58 PolarHBondContact O-N 3.05Å; V51-F154 HydrophobicContact CB-CD1 4.34Å; V51-F154 HydrophobicContact CG1-CD1 3.65Å; V51-F154 HydrophobicContact CG1-CE1 4.45Å; V51-F154 HydrophobicContact CG2-CD1 3.67Å; V51-F154 HydrophobicContact CG2-CE1 4.23Å; V51-F154 HydrophobicContact CG2-CG 4.39Å; V51-A155 HydrophobicContact CB-CB 4.09Å; V51-A155 HydrophobicContact CG2-CB 3.88Å
52K93.8Very high92.2Very high89 Ų8930.9 Ų30.939%0.38718%0.184SC..EExtended strand (participates in β ladder)trans-128.2117.6172.7174.6171.1-176.8166.30110.1T35 T36 G54 T56 T57T35-K52 WeakPolarHBondContact CA-O 3.17Å; T36-K52 PolarHBondContact N-O 3.46Å; T36-K52 PolarHBondContact O-N 2.78Å; T36-K52 WeakPolarHBondContact OG1-CB 3.48Å; T36-K52 PolarHBondContact OG1-O 2.8Å; K52-G54 WeakPolarHBondContact CE-O 3.42Å; K52-G54 VanDerWaalsContact CG-O 3.23Å; K52-G54 WeakPolarHBondContact CG-O 3.43Å; K52-T56 CarbonylContact C-O 3.54Å; K52-T56 VanDerWaalsContact CA-O 3.3Å; K52-T56 WeakPolarHBondContact CA-O 3.21Å; K52-T57 HydrophobicContact CB-CG2 4.36Å
53L91.2Very high92.4Very high9 Ų932.7 Ų32.75%0.04719%0.19CC..EExtended strand (participates in β ladder)trans-105.897.6174.6-72.5119.1000108.7T35 V51 N55 T56 A151T35-L53 HydrophobicContact CG2-CB 4.49Å; T35-L53 HydrophobicContact CG2-CD2 3.3Å; T35-L53 HydrophobicContact CG2-CG 3.68Å; V51-L53 HydrophobicContact CG1-CD1 3.63Å; V51-L53 HydrophobicContact CG1-CG 4.29Å; L53-N55 PolarHBondContact O-N 2.9Å; L53-T56 PolarHBondContact N-O 3.1Å; L53-T56 PolarHBondContact O-N 3.21Å; L53-A151 HydrophobicContact CD1-CB 3.29Å
54G89.4Confident92.7Very high22 Ų2227.7 Ų27.723%0.22716%0.156CC..THydrogen-bonded Turntrans58.6-109.7-169.500000110.9T34 K52T34-G54 PolarHBondContact O-N 2.93Å; K52-G54 WeakPolarHBondContact CE-O 3.42Å; K52-G54 VanDerWaalsContact CG-O 3.23Å; K52-G54 WeakPolarHBondContact CG-O 3.43Å
55N89.8Confident92.9Very high89 Ų8927.7 Ų27.748%0.47615%0.149SC..THydrogen-bonded Turntrans-94.2-27176.1-53.9-44.4000112.6L53 T57 D143 D145L53-N55 PolarHBondContact O-N 2.9Å; N55-T57 PolarHBondContact O-N 2.9Å; N55-T57 PolarHBondContact O-OG1 2.82Å; N55-T57 VanDerWaalsContact O-OG1 3.07Å; N55-D143 WeakPolarHBondContact O-CB 3.46Å; N55-D145 HydrophobicContact CB-CB 3.75Å; N55-D145 WeakPolarHBondContact CB-OD2 3.44Å; N55-D145 PolarHBondContact ND2-OD2 3.07Å
56T93.1Very high92.9Very high0 Ų030.6 Ų30.60%016%0.159CC..EExtended strand (participates in β ladder)trans-64.3119.4179.6-55.30000110.1K52 L53 D143 D145 G146 A151K52-T56 CarbonylContact C-O 3.54Å; K52-T56 VanDerWaalsContact CA-O 3.3Å; K52-T56 WeakPolarHBondContact CA-O 3.21Å; L53-T56 PolarHBondContact N-O 3.1Å; L53-T56 PolarHBondContact O-N 3.21Å; T56-D143 CarbonylContact C-O 3.56Å; T56-D143 VanDerWaalsContact CA-O 3.25Å; T56-D143 WeakPolarHBondContact CA-O 3.24Å; T56-D145 WeakPolarHBondContact OG1-CA 3.24Å; T56-D145 PolarHBondContact OG1-N 3.03Å; T56-D145 PolarHBondContact OG1-O 3.2Å; T56-G146 PolarHBondContact OG1-O 3.41Å; T56-A151 HydrophobicContact CG2-CB 4.26Å
57T94.7Very high92.8Very high16 Ų1630.3 Ų30.310%0.09816%0.162CC..EExtended strand (participates in β ladder)trans-123.2123.2-175.9-54.20000109.7L50 V51 K52 N55 L142 D143L50-T57 HydrophobicContact CD1-CG2 3.63Å; L50-T57 HydrophobicContact CG-CG2 4.43Å; V51-T57 WeakPolarHBondContact O-CA 3.09Å; K52-T57 HydrophobicContact CB-CG2 4.36Å; N55-T57 PolarHBondContact O-N 2.9Å; N55-T57 PolarHBondContact O-OG1 2.82Å; N55-T57 VanDerWaalsContact O-OG1 3.07Å; T57-L142 HydrophobicContact CG2-CB 4.29Å; T57-L142 HydrophobicContact CG2-CD1 4.06Å; T57-L142 PolarHBondContact O-N 2.87Å; T57-D143 PolarHBondContact N-O 3.08Å; T57-D143 PolarHBondContact O-N 3.02Å
58V95.6Very high92.6Very high0 Ų033.4 Ų33.40%019%0.187CC..EExtended strand (participates in β ladder)trans-126.6131.2178.9178.60000109.3V51 L139 I140 C141 I148 A151 A155V51-V58 PolarHBondContact N-O 2.94Å; V51-V58 PolarHBondContact O-N 3.05Å; V58-L139 HydrophobicContact CG1-CB 4.35Å; V58-L139 HydrophobicContact CG1-CD2 4.34Å; V58-I140 WeakPolarHBondContact CA-O 3.23Å; V58-C141 HydrophobicContact CG2-CB 4.4Å; V58-I148 HydrophobicContact CG2-CD1 3.51Å; V58-A151 HydrophobicContact CB-CB 4.2Å; V58-A151 HydrophobicContact CG2-CB 3.55Å; V58-A155 HydrophobicContact CB-CB 4.46Å; V58-A155 HydrophobicContact CG1-CB 4.04Å
59I95.6Very high92.4Very high34 Ų3434 Ų3417%0.17419%0.191CC..EExtended strand (participates in β ladder)trans-106.6131.6171.7-165.2163.1000109.1I42 A49 L50 L139 I140 L142I42-I59 HydrophobicContact CD1-CD1 3.59Å; I42-I59 HydrophobicContact CD1-CG1 3.9Å; I42-I59 HydrophobicContact CG1-CD1 3.84Å; A49-I59 WeakPolarHBondContact O-CA 3.35Å; L50-I59 HydrophobicContact CD1-CB 3.87Å; L50-I59 HydrophobicContact CD1-CD1 4.33Å; L50-I59 HydrophobicContact CD1-CG1 4.21Å; I59-L139 CarbonylContact O-C 3.53Å; I59-L139 VanDerWaalsContact O-CA 3.31Å; I59-L139 WeakPolarHBondContact O-CA 3.34Å; I59-I140 HydrophobicContact CG2-CB 3.93Å; I59-I140 PolarHBondContact N-O 3.36Å; I59-I140 PolarHBondContact O-N 3.05Å; I59-L142 HydrophobicContact CG2-CD2 4.36Å; I59-L142 HydrophobicContact CG2-CG 4.37Å
60C95.8Very high91.8Very high0 Ų035.6 Ų35.60%020%0.202CC..EExtended strand (participates in β ladder)trans-112.2125.4170.8-178.60000108.9S48 A49 D138 L139 A155 A159S48-C60 CarbonylContact C-O 3.27Å; S48-C60 WeakPolarHBondContact CA-O 3.32Å; A49-C60 PolarHBondContact N-O 3.32Å; A49-C60 PolarHBondContact O-N 3.27Å; C60-D138 CarbonylContact C-O 3.59Å; C60-D138 WeakPolarHBondContact CA-O 3.3Å; C60-L139 HydrophobicContact CB-CD2 4.19Å; C60-L139 HydrophobicContact CB-CG 3.99Å; C60-A155 HydrophobicContact CB-CB 3.86Å; C60-A159 HydrophobicContact CB-CB 3.83Å; C60-A159 VanDerWaalsContact SG-CB 3.53Å
61G95.5Very high91.3Very high12 Ų1240.9 Ų40.912%0.12424%0.236CC..EExtended strand (participates in β ladder)trans-112.6130.4169.300000109.5D138G61-D138 PolarHBondContact N-O 3.18Å; G61-D138 PolarHBondContact O-N 2.93Å
62V95.3Very high90.9Very high0 Ų047.5 Ų47.50%027%0.271CS..EExtended strand (participates in β ladder)trans-110.8125.6175.1-175.30000109D46 G47 L135 Y136 C137 A159 L160 V163D46-V62 PolarHBondContact N-O 3.06Å; G47-V62 PolarHBondContact N-O 2.9Å; G47-V62 PolarHBondContact O-N 3.3Å; V62-L135 HydrophobicContact CG1-CB 4.36Å; V62-L135 HydrophobicContact CG1-CD2 4.49Å; V62-Y136 CarbonylContact C-O 3.6Å; V62-Y136 VanDerWaalsContact CA-O 3.29Å; V62-Y136 WeakPolarHBondContact CA-O 3.48Å; V62-C137 HydrophobicContact CG2-CB 4.45Å; V62-A159 HydrophobicContact CG2-CB 3.84Å; V62-L160 HydrophobicContact CG2-CD2 4.3Å; V62-V163 HydrophobicContact CB-CG2 3.72Å; V62-V163 HydrophobicContact CG1-CG2 3.6Å; V62-V163 HydrophobicContact CG2-CG2 4.08Å
63K93.6Very high90.5Very high87 Ų8744 Ų4438%0.37826%0.259SS..EExtended strand (participates in β ladder)trans-120.5132177.5-80.8-64.5-165.4170.70110.3T44 L135 Y136T44-K63 VanDerWaalsContact O-CE 3.32Å; T44-K63 WeakPolarHBondContact O-CE 3.33Å; T44-K63 PolarHBondContact O-NZ 2.82Å; K63-L135 WeakPolarHBondContact O-CA 3.29Å; K63-Y136 PolarHBondContact N-O 3.42Å; K63-Y136 PolarHBondContact O-N 3.29Å
64A91.3Very high90.2Very high18 Ų1846.2 Ų46.215%0.14927%0.274CS..EExtended strand (participates in β ladder)trans-105.7126.818000000110.8D46 W133 V134 L135 L165D46-A64 PolarHBondContact OD2-N 2.62Å; D46-A64 VanDerWaalsContact OD2-N 3.08Å; A64-W133 HydrophobicContact CB-CE3 3.66Å; A64-W133 HydrophobicContact CB-CH2 4.41Å; A64-W133 HydrophobicContact CB-CZ3 3.53Å; A64-V134 CarbonylContact C-O 3.53Å; A64-V134 WeakPolarHBondContact CA-O 3.43Å; A64-L135 HydrophobicContact CB-CD2 3.71Å; A64-L165 HydrophobicContact CB-CD2 3.27Å
65E90.3Very high90Very high106 Ų10648.8 Ų48.850%0.49528%0.283SS..EExtended strand (participates in β ladder)trans-126.4162.1175.1-65.2-165.8161.800111.1V134 Y136E65-V134 PolarHBondContact N-O 3.22Å; E65-V134 PolarHBondContact O-N 3.42Å; E65-Y136 HydrophobicContact CB-CE2 4.05Å; E65-Y136 HydrophobicContact CG-CD2 4.17Å; E65-Y136 HydrophobicContact CG-CE2 3.97Å; E65-Y136 VanDerWaalsContact OE2-CE2 3.31Å; E65-Y136 WeakPolarHBondContact OE2-CE2 3.44Å
66F88.8Confident89.9Confident79 Ų7948.3 Ų48.335%0.34628%0.276SS..EExtended strand (participates in β ladder)trans-95.3131.3174-59.9-65.5000110.3I126 L131 W133 V168 V179F66-I126 HydrophobicContact CD1-CD1 3.66Å; F66-I126 HydrophobicContact CE1-CD1 3.5Å; F66-I126 VanDerWaalsContact CE1-CD1 3.5Å; F66-L131 HydrophobicContact CB-CD2 4.23Å; F66-W133 HydrophobicContact CD1-CD2 4.16Å; F66-W133 AromaticContact CD1-CE3 3.98Å; F66-W133 HydrophobicContact CD1-CE3 3.98Å; F66-W133 HydrophobicContact CD1-CH2 4.26Å; F66-W133 HydrophobicContact CD1-CZ2 4.41Å; F66-W133 HydrophobicContact CD1-CZ3 4.02Å; F66-W133 AromaticContact CE1-CD2 3.78Å; F66-W133 HydrophobicContact CE1-CD2 3.78Å; F66-W133 AromaticContact CE1-CE2 3.53Å; F66-W133 AromaticContact CE1-CE3 3.74Å; F66-W133 HydrophobicContact CE1-CE3 3.74Å; F66-W133 AromaticContact CE1-CH2 3.29Å; F66-W133 HydrophobicContact CE1-CH2 3.29Å; F66-W133 AromaticContact CE1-CZ2 3.31Å; F66-W133 HydrophobicContact CE1-CZ2 3.31Å; F66-W133 AromaticContact CE1-CZ3 3.49Å; F66-W133 HydrophobicContact CE1-CZ3 3.49Å; F66-W133 VanDerWaalsContact CE1-CZ3 3.49Å; F66-W133 HydrophobicContact CE2-CH2 4.05Å; F66-W133 HydrophobicContact CE2-CZ3 4.21Å; F66-W133 HydrophobicContact CZ-CE3 4.33Å; F66-W133 AromaticContact CZ-CH2 3.16Å; F66-W133 HydrophobicContact CZ-CH2 3.16Å; F66-W133 AromaticContact CZ-CZ2 3.52Å; F66-W133 HydrophobicContact CZ-CZ2 3.52Å; F66-W133 AromaticContact CZ-CZ3 3.6Å; F66-W133 HydrophobicContact CZ-CZ3 3.6Å; F66-V168 HydrophobicContact CE1-CB 4.41Å; F66-V168 HydrophobicContact CE1-CG1 4.24Å; F66-V168 HydrophobicContact CE1-CG2 3.65Å; F66-V168 HydrophobicContact CZ-CG1 4.32Å; F66-V168 HydrophobicContact CZ-CG2 3.52Å; F66-V179 HydrophobicContact CE2-CG2 4Å; F66-V179 HydrophobicContact CZ-CG2 4.03Å
67A87.9Confident89.5Confident34 Ų3448.5 Ų48.528%0.28128%0.279SS..EExtended strand (participates in β ladder)trans-138.9164.4168.500000111.3A132 V134A67-A132 PolarHBondContact N-O 3.47Å; A67-A132 PolarHBondContact O-N 3.34Å; A67-A132 VanDerWaalsContact O-O 3.08Å; A67-V134 HydrophobicContact CB-CG2 3.33Å
68A87Confident89.2Confident65 Ų6551.7 Ų51.754%0.53729%0.289SS..PPolyproline II helixtrans-71.9132.7168.300000109.2
69P87.8Confident89Confident12 Ų1253 Ų538%0.07830%0.297CS..PPolyproline II helixtrans-64.8159.1172.929.2-34.2000110.5P74 A132P69-P74 VanDerWaalsContact CG-O 3.31Å; P69-P74 WeakPolarHBondContact CG-O 3.49Å; P69-A132 HydrophobicContact CB-CB 4.04Å; P69-A132 HydrophobicContact CG-CB 4.39Å
70P83.3Confident88.9Confident35 Ų3554.2 Ų54.223%0.22731%0.306CS..PPolyproline II helixtrans-73.2154.6-177.332.7-30.5000110.4D72 A73 Y78P70-D72 WeakPolarHBondContact CB-OD1 3.46Å; P70-D72 WeakPolarHBondContact CG-OD1 3.49Å; P70-D72 PolarHBondContact O-N 2.83Å; P70-A73 WeakPolarHBondContact CD-O 3.4Å; P70-A73 HydrophobicContact CG-CB 4.4Å; P70-A73 CarbonylContact O-C 3.56Å; P70-A73 VanDerWaalsContact O-C 3.27Å; P70-A73 PolarHBondContact O-N 3.39Å; P70-Y78 WeakPolarHBondContact CB-OH 3.39Å; P70-Y78 VanDerWaalsContact CD-CZ 3.49Å; P70-Y78 WeakPolarHBondContact CD-OH 3.19Å; P70-Y78 HydrophobicContact CG-CE1 4.38Å; P70-Y78 WeakPolarHBondContact CG-OH 3.37Å
71T84.1Confident88.9Confident152 Ų15255.1 Ų55.193%0.93331%0.312SS*.SBendtrans-68-21.7-175.748.20000113.7
72D85.8Confident88.9Confident138 Ų13857.9 Ų57.974%0.73832%0.324SS*.SBendtrans-79.2-32.1177.763.3-21.7000112.7P70P70-D72 WeakPolarHBondContact CB-OD1 3.46Å; P70-D72 WeakPolarHBondContact CG-OD1 3.49Å; P70-D72 PolarHBondContact O-N 2.83Å
73A84.9Confident88.8Confident17 Ų1757.9 Ų57.914%0.1432%0.324CS..  trans-135.879.4178.400000111.2P70 D75 K76P70-A73 WeakPolarHBondContact CD-O 3.4Å; P70-A73 HydrophobicContact CG-CB 4.4Å; P70-A73 CarbonylContact O-C 3.56Å; P70-A73 VanDerWaalsContact O-C 3.27Å; P70-A73 PolarHBondContact O-N 3.39Å; A73-D75 PolarHBondContact O-N 3.21Å; A73-D75 VanDerWaalsContact O-N 3.14Å; A73-K76 HydrophobicContact CB-CB 4.17Å; A73-K76 HydrophobicContact CB-CD 3.9Å; A73-K76 HydrophobicContact CB-CG 4.12Å; A73-K76 PolarHBondContact O-N 2.9Å
74P84.5Confident88.8Confident55 Ų5556.7 Ų56.736%0.35732%0.322SS..THydrogen-bonded Turntrans-67.7-14.8-174.427.9-35.5000113.8P69 P128 G129P69-P74 VanDerWaalsContact CG-O 3.31Å; P69-P74 WeakPolarHBondContact CG-O 3.49Å; P74-P128 CarbonylContact O-C 3.51Å; P74-P128 VanDerWaalsContact O-CA 3.24Å; P74-P128 WeakPolarHBondContact O-CA 3.33Å; P74-G129 PolarHBondContact O-N 2.89Å
75D85.6Confident88.8Confident75 Ų7556.3 Ų56.340%0.40132%0.317SS..THydrogen-bonded Turntrans-98.15.1-176.560.6-34.1000113.8A73 E122 C125A73-D75 PolarHBondContact O-N 3.21Å; A73-D75 VanDerWaalsContact O-N 3.14Å; D75-E122 WeakPolarHBondContact O-CA 2.93Å; D75-C125 WeakPolarHBondContact O-CB 3.3Å
76K86.6Confident88.9Confident79 Ų7952.4 Ų52.434%0.34330%0.301SS..  trans-117.1133.5-174.9-66.3-173.5-1741750112.5A73 K121A73-K76 HydrophobicContact CB-CB 4.17Å; A73-K76 HydrophobicContact CB-CD 3.9Å; A73-K76 HydrophobicContact CB-CG 4.12Å; A73-K76 PolarHBondContact O-N 2.9Å; K76-K121 HydrophobicContact CB-CB 3.79Å; K76-K121 HydrophobicContact CB-CD 4.47Å; K76-K121 HydrophobicContact CD-CB 4.29Å; K76-K121 HydrophobicContact CD-CD 4.23Å; K76-K121 HydrophobicContact CG-CB 3.95Å
77G86.4Confident88.8Confident5 Ų551.7 Ų51.75%0.05230%0.304CS..  trans-82.8-179.6166.500000113.5K121G77-K121 PolarHBondContact N-O 2.8Å
78Y88Confident88.9Confident82 Ų8256 Ų5632%0.32232%0.322SS..EExtended strand (participates in β ladder)trans-117.1142.4-175-65.9-90.2000111.9P70 W133 V134 L135P70-Y78 WeakPolarHBondContact CB-OH 3.39Å; P70-Y78 VanDerWaalsContact CD-CZ 3.49Å; P70-Y78 WeakPolarHBondContact CD-OH 3.19Å; P70-Y78 HydrophobicContact CG-CE1 4.38Å; P70-Y78 WeakPolarHBondContact CG-OH 3.37Å; Y78-W133 PolarHBondContact N-O 3.43Å; Y78-V134 HydrophobicContact CD2-CG2 3.89Å; Y78-V134 HydrophobicContact CG-CG2 4.32Å; Y78-V134 WeakPolarHBondContact O-CA 3.29Å; Y78-L135 PolarHBondContact O-N 2.86Å
79V91.4Very high88.8Confident27 Ų2753 Ų5316%0.16430%0.298CS..EExtended strand (participates in β ladder)trans-128.1119.1165.4-174.20000106.6I113 I119 L124 L135V79-I113 HydrophobicContact CB-CG2 4.39Å; V79-I113 HydrophobicContact CG1-CD1 3.97Å; V79-I113 HydrophobicContact CG1-CG2 4.27Å; V79-I119 HydrophobicContact CG2-CD1 4.25Å; V79-L124 HydrophobicContact CG2-CD1 3.84Å; V79-L135 WeakPolarHBondContact CA-O 3.01Å; V79-L135 HydrophobicContact CG1-CB 4.43Å; V79-L135 HydrophobicContact CG2-CB 4.42Å; V79-L135 HydrophobicContact CG2-CD1 4.38Å
80V93.4Very high88.8Confident61 Ų6153.6 Ų53.637%0.3730%0.301SS..EExtended strand (participates in β ladder)trans-118.996.9-176.6-176.70000107.6V134 L135 Y136 C137V80-V134 HydrophobicContact CG2-CG1 4.35Å; V80-L135 PolarHBondContact N-O 3.22Å; V80-Y136 HydrophobicContact CB-CD1 3.9Å; V80-Y136 HydrophobicContact CB-CE1 4.17Å; V80-Y136 HydrophobicContact CG1-CD1 4.25Å; V80-Y136 HydrophobicContact CG1-CE1 4.42Å; V80-Y136 HydrophobicContact CG2-CD1 4.47Å; V80-Y136 HydrophobicContact CG2-CE1 4.29Å; V80-C137 PolarHBondContact O-N 2.87Å
81P94.9Very high88.8Confident18 Ų1857.9 Ų57.912%0.11733%0.333CS..EExtended strand (participates in β ladder)trans-79.1143.7171.634.9-35.9000110.6I109 A110 I113 C137P81-I109 HydrophobicContact CB-CB 4.34Å; P81-I109 HydrophobicContact CB-CG2 3.67Å; P81-I109 HydrophobicContact CG-CG2 4.24Å; P81-A110 HydrophobicContact CG-CB 3.71Å; P81-I113 HydrophobicContact CB-CD1 3.9Å; P81-I113 HydrophobicContact CG-CD1 3.82Å; P81-C137 CarbonylContact C-O 3.54Å; P81-C137 WeakPolarHBondContact CA-O 3.48Å
82N95.4Very high88.8Confident70 Ų7057.5 Ų57.537%0.37431%0.314SS..EExtended strand (participates in β ladder)trans-140.3128.2173.7174.756.7000108.5C137 D138 L139N82-C137 PolarHBondContact N-O 2.86Å; N82-D138 PolarHBondContact ND2-OD1 2.77Å; N82-L139 PolarHBondContact O-N 3.31Å
83V94.8Very high88.8Confident1 Ų152.2 Ų52.21%0.00629%0.285CS..EExtended strand (participates in β ladder)trans-112.7118.9177.8-178.30000108.2L85 A105 S106 I109 L139V83-L85 HydrophobicContact CG1-CD2 4.43Å; V83-A105 HydrophobicContact CB-CB 4.12Å; V83-A105 HydrophobicContact CG1-CB 3.92Å; V83-A105 HydrophobicContact CG2-CB 4.28Å; V83-S106 WeakPolarHBondContact CA-OG 3.43Å; V83-S106 WeakPolarHBondContact CB-OG 3.41Å; V83-S106 PolarHBondContact N-OG 3.3Å; V83-S106 PolarHBondContact O-OG 3.44Å; V83-I109 HydrophobicContact CG2-CG1 4.1Å; V83-L139 CarbonylContact C-O 3.57Å; V83-L139 WeakPolarHBondContact CA-O 3.2Å; V83-L139 HydrophobicContact CG2-CB 4.12Å; V83-L139 HydrophobicContact CG2-CD1 4.21Å
84D92.7Very high88.7Confident62 Ų6262.1 Ų62.133%0.33232%0.318SS..EExtended strand (participates in β ladder)trans-110.3137175.8-168.630.8000111.7P86 L139 I140 C141D84-P86 VanDerWaalsContact C-CD 3.49Å; D84-P86 VanDerWaalsContact O-CD 3.31Å; D84-P86 WeakPolarHBondContact O-CD 3.29Å; D84-L139 PolarHBondContact N-O 2.9Å; D84-I140 HydrophobicContact CB-CG1 4.45Å; D84-C141 PolarHBondContact O-N 2.83Å; D84-C141 VanDerWaalsContact O-N 3.13Å
85L91.6Very high88.7Confident9 Ų964.4 Ų64.45%0.04734%0.335CS..  trans-11979.8179-59.2179.7000108.1V83 F93 E101 A102 C141 I148V83-L85 HydrophobicContact CG1-CD2 4.43Å; L85-F93 HydrophobicContact CB-CD1 3.84Å; L85-F93 HydrophobicContact CB-CD2 4.5Å; L85-F93 HydrophobicContact CB-CE1 3.85Å; L85-F93 HydrophobicContact CB-CE2 4.49Å; L85-F93 HydrophobicContact CB-CG 4.19Å; L85-F93 HydrophobicContact CB-CZ 4.18Å; L85-F93 HydrophobicContact CD1-CD1 4.36Å; L85-F93 HydrophobicContact CD1-CE1 3.55Å; L85-F93 HydrophobicContact CD1-CZ 3.74Å; L85-F93 HydrophobicContact CG-CE1 4.33Å; L85-F93 HydrophobicContact CG-CZ 4.47Å; L85-E101 HydrophobicContact CD1-CB 4.18Å; L85-E101 HydrophobicContact CD1-CG 4.06Å; L85-A102 HydrophobicContact CB-CB 4.16Å; L85-A102 HydrophobicContact CD1-CB 3.89Å; L85-A102 HydrophobicContact CG-CB 3.82Å; L85-C141 HydrophobicContact CD2-CB 3.4Å; L85-C141 VanDerWaalsContact CD2-CB 3.4Å; L85-I148 HydrophobicContact CD2-CD1 4.22Å; L85-I148 HydrophobicContact CD2-CG1 4.17Å
86P91.1Very high88.6Confident25 Ų2563.7 Ų63.716%0.16235%0.346CS..  trans-67.7161.6-178.328.3-36.1000111.2D84 L88 C89 I140 C141D84-P86 VanDerWaalsContact C-CD 3.49Å; D84-P86 VanDerWaalsContact O-CD 3.31Å; D84-P86 WeakPolarHBondContact O-CD 3.29Å; P86-L88 HydrophobicContact CB-CB 4.39Å; P86-L88 HydrophobicContact CG-CB 4.19Å; P86-L88 PolarHBondContact O-N 3.48Å; P86-C89 PolarHBondContact O-N 2.89Å; P86-C89 PolarHBondContact O-SG 2.94Å; P86-I140 HydrophobicContact CG-CG2 3.77Å; P86-C141 WeakPolarHBondContact CD-O 3.41Å; P86-C141 WeakPolarHBondContact CG-O 3.45Å
87P88.7Confident88.6Confident63 Ų6365.5 Ų65.541%0.40937%0.366SS..THydrogen-bonded Turntrans-60.2-7.4174.129.9-40.2000114.1
88L88.6Confident88.6Confident124 Ų12468.2 Ų68.265%0.64938%0.383SS*.THydrogen-bonded Turntrans-66.5-37.7173.2-177.565.6000112.2P86 L142P86-L88 HydrophobicContact CB-CB 4.39Å; P86-L88 HydrophobicContact CG-CB 4.19Å; P86-L88 PolarHBondContact O-N 3.48Å; L88-L142 HydrophobicContact CD2-CD2 4.08Å
89C86Confident88.6Confident4 Ų466.3 Ų66.33%0.02739%0.387CS..THydrogen-bonded Turntrans-78.2-31.8-17163.50000113.5P86 F93 C141 L142 Y144P86-C89 PolarHBondContact O-N 2.89Å; P86-C89 PolarHBondContact O-SG 2.94Å; C89-F93 WeakPolarHBondContact SG-CD2 3.25Å; C89-F93 WeakPolarHBondContact SG-CE2 3.44Å; C89-C141 HydrophobicContact CB-CB 4.08Å; C89-C141 WeakPolarHBondContact CB-O 3.47Å; C89-L142 VanDerWaalsContact CA-O 3.3Å; C89-L142 WeakPolarHBondContact CA-O 3.44Å; C89-Y144 PolarHBondContact O-N 3.44Å
90S86.4Confident88.5Confident23 Ų2372.7 Ų72.716%0.16142%0.416CS..  trans-159155.9165.5810000110.8R92 F93S90-R92 PolarHBondContact O-N 3.42Å; S90-R92 WeakPolarHBondContact OG-CB 3.2Å; S90-R92 PolarHBondContact OG-N 3.39Å; S90-F93 PolarHBondContact O-N 3.03Å; S90-F93 VanDerWaalsContact O-N 3.12Å; S90-F93 WeakPolarHBondContact OG-CD2 3.5Å; S90-F93 WeakPolarHBondContact OG-CE2 3.25Å
91S84.8Confident88.3Confident126 Ų12672.8 Ų72.888%0.88141%0.412SS*.THydrogen-bonded Turntrans-64.3-7.4173.258.70000113.9
92R83.7Confident88.1Confident143 Ų14372 Ų7254%0.5441%0.407SS..THydrogen-bonded Turntrans-76.5-28.2175.6-57.2174.463.7-175.9-5.7111.4S90S90-R92 PolarHBondContact O-N 3.42Å; S90-R92 WeakPolarHBondContact OG-CB 3.2Å; S90-R92 PolarHBondContact OG-N 3.39Å
93F85.9Confident88Confident28 Ų2873.9 Ų73.912%0.12341%0.414CS..SBendtrans-84.1139.1179.4-60.4-72.5000110.4L85 C89 S90 Y144L85-F93 HydrophobicContact CB-CD1 3.84Å; L85-F93 HydrophobicContact CB-CD2 4.5Å; L85-F93 HydrophobicContact CB-CE1 3.85Å; L85-F93 HydrophobicContact CB-CE2 4.49Å; L85-F93 HydrophobicContact CB-CG 4.19Å; L85-F93 HydrophobicContact CB-CZ 4.18Å; L85-F93 HydrophobicContact CD1-CD1 4.36Å; L85-F93 HydrophobicContact CD1-CE1 3.55Å; L85-F93 HydrophobicContact CD1-CZ 3.74Å; L85-F93 HydrophobicContact CG-CE1 4.33Å; L85-F93 HydrophobicContact CG-CZ 4.47Å; C89-F93 WeakPolarHBondContact SG-CD2 3.25Å; C89-F93 WeakPolarHBondContact SG-CE2 3.44Å; S90-F93 PolarHBondContact O-N 3.03Å; S90-F93 VanDerWaalsContact O-N 3.12Å; S90-F93 WeakPolarHBondContact OG-CD2 3.5Å; S90-F93 WeakPolarHBondContact OG-CE2 3.25Å; F93-Y144 HydrophobicContact CE2-CD1 4.34Å; F93-Y144 HydrophobicContact CE2-CD2 4.09Å; F93-Y144 AromaticContact CE2-CG 3.96Å; F93-Y144 HydrophobicContact CE2-CG 3.96Å; F93-Y144 HydrophobicContact CZ-CD2 4.16Å; F93-Y144 HydrophobicContact CZ-CE2 4.21Å; F93-Y144 HydrophobicContact CZ-CG 4.41Å
94R82.9Confident87.9Confident225 Ų22576.8 Ų76.885%0.84943%0.431SS*.  trans-104.7144.8-179.7-65.6-174.9-178.6-179.71.5109.4G96R94-G96 PolarHBondContact O-N 3.43Å
95S83.5Confident88Confident102 Ų10273.9 Ų73.971%0.71342%0.416SS*.SBendtrans-62.4131.2167.4-470000109.8
96G84.6Confident88.1Confident60 Ų6074.4 Ų74.462%0.61942%0.42SS*.SBendtrans145.2-154177.500000112.4R94R94-G96 PolarHBondContact O-N 3.43Å
97P86.1Confident88.3Confident118 Ų11878.4 Ų78.477%0.76644%0.437SS*.SBendtrans-60.8155.317628-34.7000111G99P97-G99 PolarHBondContact O-N 3.26Å
98P85.6Confident88.5Confident62 Ų6275.8 Ų75.840%0.40342%0.419SS..PPolyproline II helixtrans-58.5130.6-177.124.5-34.1000110.3A102 Q103P98-A102 HydrophobicContact CB-CB 4.19Å; P98-Q103 HydrophobicContact CB-CG 4.13Å; P98-Q103 HydrophobicContact CG-CG 4.16Å; P98-Q103 PolarHBondContact O-NE2 3.18Å
99G88.1Confident88.8Confident41 Ų4169.9 Ų69.942%0.42339%0.388SS..PPolyproline II helixtrans-66.6169175.700000112.3P97 E101 A102 Q103P97-G99 PolarHBondContact O-N 3.26Å; G99-E101 VanDerWaalsContact C-N 3.33Å; G99-E101 PolarHBondContact O-N 3.16Å; G99-A102 PolarHBondContact O-N 3.32Å; G99-Q103 WeakPolarHBondContact O-CG 3.35Å; G99-Q103 PolarHBondContact O-N 3.09Å
100E89.9Confident89.1Confident162 Ų16271 Ų7176%0.75740%0.398SS*.Hα-helixtrans-55.5-46-179.2-175.9175.6-173.500112.3A102 Q103 V104E100-A102 VanDerWaalsContact C-N 3.34Å; E100-A102 PolarHBondContact O-N 3.27Å; E100-Q103 PolarHBondContact O-N 3.02Å; E100-V104 WeakPolarHBondContact O-CG2 3.47Å; E100-V104 PolarHBondContact O-N 3.25Å
101E88.9Confident89.4Confident62 Ų6273.2 Ų73.229%0.2941%0.408SS..Hα-helixtrans-62.5-39.1179.5-170.1176.4179.500112.8L85 G99 V104 A105 Y144L85-E101 HydrophobicContact CD1-CB 4.18Å; L85-E101 HydrophobicContact CD1-CG 4.06Å; G99-E101 VanDerWaalsContact C-N 3.33Å; G99-E101 PolarHBondContact O-N 3.16Å; E101-V104 PolarHBondContact O-N 2.86Å; E101-A105 WeakPolarHBondContact O-CB 3.47Å; E101-A105 PolarHBondContact O-N 2.86Å; E101-Y144 WeakPolarHBondContact OE1-CE2 3.49Å; E101-Y144 VanDerWaalsContact OE1-CZ 3.31Å; E101-Y144 PolarHBondContact OE1-OH 2.93Å
102A91.6Very high89.8Confident2 Ų267.2 Ų67.22%0.01737%0.366CS..Hα-helixtrans-66.2-39.8176.900000111.6L85 P98 G99 E100 A105 S106L85-A102 HydrophobicContact CB-CB 4.16Å; L85-A102 HydrophobicContact CD1-CB 3.89Å; L85-A102 HydrophobicContact CG-CB 3.82Å; P98-A102 HydrophobicContact CB-CB 4.19Å; G99-A102 PolarHBondContact O-N 3.32Å; E100-A102 VanDerWaalsContact C-N 3.34Å; E100-A102 PolarHBondContact O-N 3.27Å; A102-A105 PolarHBondContact O-N 2.9Å; A102-S106 WeakPolarHBondContact O-CB 3.46Å; A102-S106 PolarHBondContact O-N 3.48Å; A102-S106 PolarHBondContact O-OG 3.39Å
103Q92.5Very high90.2Very high110 Ų11061 Ų6151%0.51434%0.343SS..Hα-helixtrans-67.4-43.3176.4-66.4178.526.300111.6P98 G99 E100 S106 Q107P98-Q103 HydrophobicContact CB-CG 4.13Å; P98-Q103 HydrophobicContact CG-CG 4.16Å; P98-Q103 PolarHBondContact O-NE2 3.18Å; G99-Q103 WeakPolarHBondContact O-CG 3.35Å; G99-Q103 PolarHBondContact O-N 3.09Å; E100-Q103 PolarHBondContact O-N 3.02Å; Q103-S106 PolarHBondContact O-N 3.49Å; Q103-Q107 PolarHBondContact O-N 3.45Å
104V93.4Very high90.4Very high61 Ų6165 Ų6537%0.3736%0.362SS..Hα-helixtrans-62.5-43.9175.81730000110.6E100 E101 Q107 F108E100-V104 WeakPolarHBondContact O-CG2 3.47Å; E100-V104 PolarHBondContact O-N 3.25Å; E101-V104 PolarHBondContact O-N 2.86Å; V104-Q107 PolarHBondContact O-N 3.25Å; V104-F108 WeakPolarHBondContact O-CB 3.37Å; V104-F108 PolarHBondContact O-N 2.81Å
105A93.2Very high90.7Very high1 Ų158.6 Ų58.61%0.00835%0.345CS..Hα-helixtrans-63.5-41.8176.100000111.9V83 E101 A102 F108 I109 L149V83-A105 HydrophobicContact CB-CB 4.12Å; V83-A105 HydrophobicContact CG1-CB 3.92Å; V83-A105 HydrophobicContact CG2-CB 4.28Å; E101-A105 WeakPolarHBondContact O-CB 3.47Å; E101-A105 PolarHBondContact O-N 2.86Å; A102-A105 PolarHBondContact O-N 2.9Å; A105-F108 PolarHBondContact O-N 2.81Å; A105-I109 VanDerWaalsContact O-CG1 3.29Å; A105-I109 WeakPolarHBondContact O-CG1 3.49Å; A105-I109 PolarHBondContact O-N 2.87Å; A105-L149 HydrophobicContact CB-CD2 3.94Å
106S94.8Very high90.8Very high20 Ų2054 Ų5414%0.1431%0.313CS..Hα-helixtrans-60.1-48.2176.2-61.40000111.7V83 A102 Q103 I109 A110V83-S106 WeakPolarHBondContact CA-OG 3.43Å; V83-S106 WeakPolarHBondContact CB-OG 3.41Å; V83-S106 PolarHBondContact N-OG 3.3Å; V83-S106 PolarHBondContact O-OG 3.44Å; A102-S106 WeakPolarHBondContact O-CB 3.46Å; A102-S106 PolarHBondContact O-N 3.48Å; A102-S106 PolarHBondContact O-OG 3.39Å; Q103-S106 PolarHBondContact O-N 3.49Å; S106-I109 PolarHBondContact O-N 2.98Å; S106-A110 PolarHBondContact O-N 3.47Å
107Q94.1Very high90.8Very high110 Ų11057.9 Ų57.951%0.51432%0.315SS..Hα-helixtrans-65-42.3177.1-175.860.136.600111.6Q103 V104 I109 A110 D111Q103-Q107 PolarHBondContact O-N 3.45Å; V104-Q107 PolarHBondContact O-N 3.25Å; Q107-I109 VanDerWaalsContact C-N 3.31Å; Q107-I109 PolarHBondContact O-N 2.82Å; Q107-A110 WeakPolarHBondContact O-CB 3.21Å; Q107-A110 PolarHBondContact O-N 3.17Å; Q107-A110 VanDerWaalsContact O-N 3.14Å; Q107-D111 PolarHBondContact NE2-OD1 3.07Å; Q107-D111 VanDerWaalsContact O-CG 3.26Å; Q107-D111 PolarHBondContact O-N 3.22Å
108F94.4Very high90.7Very high7 Ų752.3 Ų52.33%0.03128%0.279CS..Hα-helixtrans-58.3-44.3177.2173.3-99.2000111.5V104 A105 D111 V112 L149 T223 V225 H236V104-F108 WeakPolarHBondContact O-CB 3.37Å; V104-F108 PolarHBondContact O-N 2.81Å; A105-F108 PolarHBondContact O-N 2.81Å; F108-D111 PolarHBondContact O-N 2.84Å; F108-V112 HydrophobicContact CD1-CG2 4.3Å; F108-V112 HydrophobicContact CE1-CG2 3.93Å; F108-V112 HydrophobicContact CE2-CG2 4.26Å; F108-V112 HydrophobicContact CZ-CG2 3.92Å; F108-V112 VanDerWaalsContact O-CG2 3.27Å; F108-V112 WeakPolarHBondContact O-CG2 2.91Å; F108-V112 PolarHBondContact O-N 2.78Å; F108-L149 HydrophobicContact CB-CD2 4.45Å; F108-L149 HydrophobicContact CD1-CB 4.33Å; F108-L149 HydrophobicContact CD1-CD2 3.75Å; F108-L149 HydrophobicContact CD1-CG 4.43Å; F108-L149 HydrophobicContact CE1-CB 3.97Å; F108-L149 HydrophobicContact CE1-CD2 4.26Å; F108-L149 HydrophobicContact CE1-CG 4.48Å; F108-L149 HydrophobicContact CG-CD2 4.2Å; F108-T223 HydrophobicContact CE1-CG2 4.38Å; F108-T223 HydrophobicContact CE2-CG2 4.32Å; F108-T223 HydrophobicContact CZ-CG2 3.66Å; F108-V225 HydrophobicContact CE1-CG2 4.37Å; F108-V225 HydrophobicContact CE2-CG2 4.19Å; F108-V225 HydrophobicContact CZ-CG2 3.51Å; F108-H236 HydrophobicContact CD2-CB 3.84Å; F108-H236 HydrophobicContact CE2-CB 3.61Å
109I93.9Very high90.7Very high0 Ų050 Ų500%026%0.263CS..Hα-helixtrans-67.2-37.3176.9-64.3-62.8000111.4P81 V83 A105 S106 Q107 V112 I113 C152 T153 L156P81-I109 HydrophobicContact CB-CB 4.34Å; P81-I109 HydrophobicContact CB-CG2 3.67Å; P81-I109 HydrophobicContact CG-CG2 4.24Å; V83-I109 HydrophobicContact CG2-CG1 4.1Å; A105-I109 VanDerWaalsContact O-CG1 3.29Å; A105-I109 WeakPolarHBondContact O-CG1 3.49Å; A105-I109 PolarHBondContact O-N 2.87Å; S106-I109 PolarHBondContact O-N 2.98Å; Q107-I109 VanDerWaalsContact C-N 3.31Å; Q107-I109 PolarHBondContact O-N 2.82Å; I109-V112 PolarHBondContact O-N 3.33Å; I109-I113 HydrophobicContact CG2-CD1 4.05Å; I109-I113 VanDerWaalsContact O-CG1 3.29Å; I109-I113 WeakPolarHBondContact O-CG1 3.21Å; I109-I113 PolarHBondContact O-N 2.96Å; I109-C152 HydrophobicContact CD1-CB 3.76Å; I109-C152 HydrophobicContact CG1-CB 4.1Å; I109-T153 WeakPolarHBondContact CD1-OG1 3.47Å; I109-L156 HydrophobicContact CG2-CD2 3.56Å
110A93.7Very high90.5Very high29 Ų2950.9 Ų50.924%0.2426%0.256CS..Hα-helixtrans-60.3-46.1172.400000111.9P81 S106 Q107 V112 I113 E114P81-A110 HydrophobicContact CG-CB 3.71Å; S106-A110 PolarHBondContact O-N 3.47Å; Q107-A110 WeakPolarHBondContact O-CB 3.21Å; Q107-A110 PolarHBondContact O-N 3.17Å; Q107-A110 VanDerWaalsContact O-N 3.14Å; A110-V112 VanDerWaalsContact C-N 3.32Å; A110-V112 PolarHBondContact O-N 3.34Å; A110-I113 PolarHBondContact O-N 3.44Å; A110-E114 PolarHBondContact O-N 3.39Å
111D92.8Very high90.3Very high68 Ų6845.8 Ų45.836%0.36423%0.231SC..Hα-helixtrans-63-39.5176.4-65.6-17.4000111.1Q107 F108 E114 N115Q107-D111 PolarHBondContact NE2-OD1 3.07Å; Q107-D111 VanDerWaalsContact O-CG 3.26Å; Q107-D111 PolarHBondContact O-N 3.22Å; F108-D111 PolarHBondContact O-N 2.84Å; D111-E114 PolarHBondContact O-N 2.95Å; D111-N115 WeakPolarHBondContact O-CB 3.27Å; D111-N115 PolarHBondContact O-N 2.87Å; D111-N115 PolarHBondContact O-ND2 3.46Å
112V92.6Very high90.2Very high0 Ų046.7 Ų46.70%024%0.235CC..Hα-helixtrans-61.1-48.5175.2169.10000110.4F108 I109 A110 E114 N115 S116 T153 P193 V225 C234F108-V112 HydrophobicContact CD1-CG2 4.3Å; F108-V112 HydrophobicContact CE1-CG2 3.93Å; F108-V112 HydrophobicContact CE2-CG2 4.26Å; F108-V112 HydrophobicContact CZ-CG2 3.92Å; F108-V112 VanDerWaalsContact O-CG2 3.27Å; F108-V112 WeakPolarHBondContact O-CG2 2.91Å; F108-V112 PolarHBondContact O-N 2.78Å; I109-V112 PolarHBondContact O-N 3.33Å; A110-V112 VanDerWaalsContact C-N 3.32Å; A110-V112 PolarHBondContact O-N 3.34Å; V112-E114 VanDerWaalsContact C-N 3.34Å; V112-E114 PolarHBondContact O-N 2.89Å; V112-N115 PolarHBondContact O-N 2.84Å; V112-S116 VanDerWaalsContact O-CB 3.25Å; V112-S116 WeakPolarHBondContact O-CB 3.2Å; V112-S116 PolarHBondContact O-N 3.14Å; V112-S116 PolarHBondContact O-OG 3.26Å; V112-T153 HydrophobicContact CG1-CG2 4.37Å; V112-P193 HydrophobicContact CG1-CB 4.17Å; V112-P193 HydrophobicContact CG1-CG 4.06Å; V112-V225 HydrophobicContact CG1-CG1 4.15Å; V112-V225 HydrophobicContact CG2-CB 4.48Å; V112-V225 HydrophobicContact CG2-CG1 4.29Å; V112-V225 HydrophobicContact CG2-CG2 3.89Å; V112-C234 VanDerWaalsContact CG2-SG 3.58Å
113I91.4Very high89.9Confident14 Ų1451 Ų517%0.07226%0.258CS..Hα-helixtrans-60-44.6179.8-67.7164000110.9V79 P81 I109 A110 Q117 I118 L156V79-I113 HydrophobicContact CB-CG2 4.39Å; V79-I113 HydrophobicContact CG1-CD1 3.97Å; V79-I113 HydrophobicContact CG1-CG2 4.27Å; P81-I113 HydrophobicContact CB-CD1 3.9Å; P81-I113 HydrophobicContact CG-CD1 3.82Å; I109-I113 HydrophobicContact CG2-CD1 4.05Å; I109-I113 VanDerWaalsContact O-CG1 3.29Å; I109-I113 WeakPolarHBondContact O-CG1 3.21Å; I109-I113 PolarHBondContact O-N 2.96Å; A110-I113 PolarHBondContact O-N 3.44Å; I113-Q117 PolarHBondContact O-N 3.3Å; I113-I118 HydrophobicContact CG1-CD1 4.08Å; I113-L156 HydrophobicContact CD1-CD2 3.7Å; I113-L156 HydrophobicContact CG1-CD2 3.73Å
114E89.6Confident89.5Confident110 Ų11045.8 Ų45.851%0.51423%0.234SC..Hα-helixtrans-67.8-47-179.5-162.468.4-147.800112A110 D111 V112 K121A110-E114 PolarHBondContact O-N 3.39Å; D111-E114 PolarHBondContact O-N 2.95Å; V112-E114 VanDerWaalsContact C-N 3.34Å; V112-E114 PolarHBondContact O-N 2.89Å; E114-K121 IonicContact OE1-NZ 2.83Å; E114-K121 PolarHBondContact OE1-NZ 3.17Å; E114-K121 WeakPolarHBondContact OE2-CE 3.29Å; E114-K121 IonicContact OE2-NZ 2.62Å; E114-K121 PolarHBondContact OE2-NZ 3.08Å
115N90.2Very high89.1Confident91 Ų9144.2 Ų44.249%0.48723%0.225SC..Hα-helixtrans-71.5-35.3-175.8-72.1-44.6000113.1D111 V112D111-N115 WeakPolarHBondContact O-CB 3.27Å; D111-N115 PolarHBondContact O-N 2.87Å; D111-N115 PolarHBondContact O-ND2 3.46Å; V112-N115 PolarHBondContact O-N 2.84Å
116S84.4Confident88.7Confident7 Ų746.3 Ų46.35%0.04924%0.236CC..Hα-helixtrans-86.3-13.2-178.461.50000113.3V112 I118 T191 P193V112-S116 VanDerWaalsContact O-CB 3.25Å; V112-S116 WeakPolarHBondContact O-CB 3.2Å; V112-S116 PolarHBondContact O-N 3.14Å; V112-S116 PolarHBondContact O-OG 3.26Å; S116-I118 PolarHBondContact O-N 3.01Å; S116-I118 WeakPolarHBondContact OG-CG1 3.45Å; S116-T191 PolarHBondContact O-OG1 3.25Å; S116-P193 WeakPolarHBondContact OG-CG 3.27Å
117Q84.9Confident88.2Confident141 Ų14146.7 Ų46.766%0.65924%0.239SC*.THydrogen-bonded Turntrans50.643.4-177.7-58.6-177.6-24.500112.4I113 I119I113-Q117 PolarHBondContact O-N 3.3Å; Q117-I119 PolarHBondContact O-N 2.61Å; Q117-I119 VanDerWaalsContact O-N 3.17Å
118I84.3Confident87.7Confident1 Ų145.9 Ų45.91%0.00524%0.243CC..  trans-50.2-44.4-177.5-48.6-176.1000110.8I113 S116 L157 L160 I189 R190 T191 P193I113-I118 HydrophobicContact CG1-CD1 4.08Å; S116-I118 PolarHBondContact O-N 3.01Å; S116-I118 WeakPolarHBondContact OG-CG1 3.45Å; I118-L157 HydrophobicContact CD1-CD2 4.13Å; I118-L157 HydrophobicContact CG2-CD2 4.17Å; I118-L160 HydrophobicContact CG2-CD1 4.11Å; I118-I189 HydrophobicContact CG2-CB 3.81Å; I118-I189 HydrophobicContact CG2-CD1 4.35Å; I118-I189 HydrophobicContact CG2-CG2 3.84Å; I118-I189 VanDerWaalsContact O-CA 3.3Å; I118-I189 WeakPolarHBondContact O-CA 3.35Å; I118-R190 PolarHBondContact O-N 3.21Å; I118-R190 VanDerWaalsContact O-N 3.08Å; I118-T191 WeakPolarHBondContact CA-OG1 3.3Å; I118-T191 PolarHBondContact N-OG1 3.43Å; I118-P193 HydrophobicContact CD1-CG 3.61Å; I118-P193 HydrophobicContact CG1-CG 3.84Å
119I85.5Confident87Confident13 Ų1347.8 Ų47.87%0.06726%0.264CS..SBendtrans-124.7133-177.8-59.7154.4000107.7V79 Q117 K121 L124 L135 L160 L187 I189V79-I119 HydrophobicContact CG2-CD1 4.25Å; Q117-I119 PolarHBondContact O-N 2.61Å; Q117-I119 VanDerWaalsContact O-N 3.17Å; I119-K121 PolarHBondContact O-N 3.49Å; I119-L124 HydrophobicContact CG2-CD1 3.88Å; I119-L124 HydrophobicContact CG2-CG 4.09Å; I119-L135 HydrophobicContact CD1-CD1 4.24Å; I119-L160 HydrophobicContact CD1-CD1 3.94Å; I119-L160 HydrophobicContact CD1-CD2 3.86Å; I119-L160 HydrophobicContact CD1-CG 4.47Å; I119-L187 HydrophobicContact CD1-CD2 3.49Å; I119-L187 VanDerWaalsContact CD1-CD2 3.49Å; I119-L187 HydrophobicContact CG1-CD2 3.69Å; I119-L187 HydrophobicContact CG1-CG 4.46Å; I119-L187 HydrophobicContact CG2-CD1 4.46Å; I119-L187 HydrophobicContact CG2-CD2 4.47Å; I119-I189 HydrophobicContact CG1-CG2 3.94Å
120Q84.6Confident86.6Confident59 Ų5954.4 Ų54.428%0.27629%0.293SS..  trans-72.9122166.7-72.9-145.9-40.200108.9E122 D123 R190Q120-E122 VanDerWaalsContact CB-OE2 3.3Å; Q120-E122 WeakPolarHBondContact CB-OE2 3.36Å; Q120-E122 PolarHBondContact O-N 3.45Å; Q120-E122 VanDerWaalsContact O-N 3.16Å; Q120-D123 PolarHBondContact O-N 3.47Å; Q120-D123 VanDerWaalsContact O-N 3.09Å; Q120-R190 VanDerWaalsContact OE1-CZ 3.23Å
121K85.9Confident86.2Confident56 Ų5654.8 Ų54.824%0.24329%0.291CS..G310 helixtrans-63.5-22.7179.5-65176.3178.6170.20110.9K76 G77 E114 I119 L124K76-K121 HydrophobicContact CB-CB 3.79Å; K76-K121 HydrophobicContact CB-CD 4.47Å; K76-K121 HydrophobicContact CD-CB 4.29Å; K76-K121 HydrophobicContact CD-CD 4.23Å; K76-K121 HydrophobicContact CG-CB 3.95Å; G77-K121 PolarHBondContact N-O 2.8Å; E114-K121 IonicContact OE1-NZ 2.83Å; E114-K121 PolarHBondContact OE1-NZ 3.17Å; E114-K121 WeakPolarHBondContact OE2-CE 3.29Å; E114-K121 IonicContact OE2-NZ 2.62Å; E114-K121 PolarHBondContact OE2-NZ 3.08Å; I119-K121 PolarHBondContact O-N 3.49Å; K121-L124 PolarHBondContact O-N 3.26Å
122E86Confident86Confident80 Ų8051.5 Ų51.537%0.37427%0.274SS..G310 helixtrans-66.2-36.5176.3-57.673.7-156.300111.8D75 Q120 L124 C125D75-E122 WeakPolarHBondContact O-CA 2.93Å; Q120-E122 VanDerWaalsContact CB-OE2 3.3Å; Q120-E122 WeakPolarHBondContact CB-OE2 3.36Å; Q120-E122 PolarHBondContact O-N 3.45Å; Q120-E122 VanDerWaalsContact O-N 3.16Å; E122-L124 PolarHBondContact O-N 3.27Å; E122-C125 WeakPolarHBondContact O-CB 3.47Å; E122-C125 PolarHBondContact O-N 3.48Å; E122-C125 VanDerWaalsContact O-N 3.12Å
123D85.2Confident85.9Confident92 Ų9252.5 Ų52.549%0.49228%0.277SS..G310 helixtrans-68.8-20.2178.3-71.3-19.3000112.2Q120Q120-D123 PolarHBondContact O-N 3.47Å; Q120-D123 VanDerWaalsContact O-N 3.09Å
124L84.9Confident85.9Confident1 Ų152 Ų521%0.00528%0.275CS..G310 helixtrans-87.2-10.3177-67.1172.7000112.5V79 I119 K121 E122 W133 L135 L165 L187V79-L124 HydrophobicContact CG2-CD1 3.84Å; I119-L124 HydrophobicContact CG2-CD1 3.88Å; I119-L124 HydrophobicContact CG2-CG 4.09Å; K121-L124 PolarHBondContact O-N 3.26Å; E122-L124 PolarHBondContact O-N 3.27Å; L124-W133 HydrophobicContact CB-CB 4.08Å; L124-W133 HydrophobicContact CD2-CB 3.91Å; L124-W133 WeakPolarHBondContact O-CB 3.44Å; L124-W133 PolarHBondContact O-N 3.04Å; L124-L135 HydrophobicContact CD1-CD1 4.18Å; L124-L135 HydrophobicContact CD1-CG 4.42Å; L124-L135 HydrophobicContact CD2-CD1 3.88Å; L124-L135 HydrophobicContact CD2-CG 4.13Å; L124-L165 HydrophobicContact CD2-CD1 4.27Å; L124-L187 HydrophobicContact CD2-CD1 3.93Å
125C84.8Confident86.1Confident29 Ų2946.8 Ų46.820%0.19625%0.251CS..EExtended strand (participates in β ladder)trans-81.8122.6178.2-179.30000110.5D75 E122D75-C125 WeakPolarHBondContact O-CB 3.3Å; E122-C125 WeakPolarHBondContact O-CB 3.47Å; E122-C125 PolarHBondContact O-N 3.48Å; E122-C125 VanDerWaalsContact O-N 3.12Å
126I84.7Confident86.3Confident45 Ų4546.4 Ų46.423%0.23124%0.243CC..EExtended strand (participates in β ladder)trans-89.4-49.2178.3-52.2168.5000109.2F66 L131 W133 V168 I170F66-I126 HydrophobicContact CD1-CD1 3.66Å; F66-I126 HydrophobicContact CE1-CD1 3.5Å; F66-I126 VanDerWaalsContact CE1-CD1 3.5Å; I126-L131 HydrophobicContact CB-CB 4.48Å; I126-L131 WeakPolarHBondContact CB-O 3.35Å; I126-L131 PolarHBondContact N-O 3.38Å; I126-L131 VanDerWaalsContact N-O 3.08Å; I126-W133 HydrophobicContact CD1-CD2 4.42Å; I126-W133 HydrophobicContact CD1-CG 4.32Å; I126-V168 HydrophobicContact CD1-CB 4.08Å; I126-V168 HydrophobicContact CD1-CG1 4.16Å; I126-V168 HydrophobicContact CD1-CG2 4.34Å; I126-V168 HydrophobicContact CG2-CB 4.27Å; I126-V168 HydrophobicContact CG2-CG1 4.31Å; I126-I170 HydrophobicContact CG2-CD1 3.88Å; I126-I170 HydrophobicContact CG2-CG1 4.26Å
127S84Confident86.8Confident28 Ų2846.1 Ų46.120%0.19624%0.241CC..EExtended strand (participates in β ladder)trans-142.8126.6173.1174.10000110.6G129 K130 L131S127-G129 PolarHBondContact O-N 3.4Å; S127-K130 PolarHBondContact O-N 2.96Å; S127-K130 VanDerWaalsContact O-N 3.11Å; S127-L131 PolarHBondContact N-O 2.88Å; S127-L131 PolarHBondContact O-N 3.44Å; S127-L131 VanDerWaalsContact O-N 3.09Å
128P83.3Confident87.3Confident92 Ų9242.5 Ų42.560%0.59723%0.226SC*.THydrogen-bonded Turntrans-61.3127.6-172.824.9-33.9000110.7P74 K130P74-P128 CarbonylContact O-C 3.51Å; P74-P128 VanDerWaalsContact O-CA 3.24Å; P74-P128 WeakPolarHBondContact O-CA 3.33Å; P128-K130 PolarHBondContact O-N 2.97Å
129G81.3Confident87.8Confident47 Ų4742.4 Ų42.449%0.48523%0.226SC..THydrogen-bonded Turntrans75.9-2.7178.400000115.7P74 S127P74-G129 PolarHBondContact O-N 2.89Å; S127-G129 PolarHBondContact O-N 3.4Å
130K83.7Confident88.2Confident139 Ų13944.9 Ų44.960%0.60424%0.238SC*.THydrogen-bonded Turntrans-116.2-55179.6-71.1-175.4179.6177.90112.8S127 P128S127-K130 PolarHBondContact O-N 2.96Å; S127-K130 VanDerWaalsContact O-N 3.11Å; P128-K130 PolarHBondContact O-N 2.97Å
131L85.9Confident88.7Confident37 Ų3742.1 Ų42.119%0.19423%0.226CC..EExtended strand (participates in β ladder)trans-144.9126.9-171-78.5171.3000110.9F66 I126 S127 I170 A177F66-L131 HydrophobicContact CB-CD2 4.23Å; I126-L131 HydrophobicContact CB-CB 4.48Å; I126-L131 WeakPolarHBondContact CB-O 3.35Å; I126-L131 PolarHBondContact N-O 3.38Å; I126-L131 VanDerWaalsContact N-O 3.08Å; S127-L131 PolarHBondContact N-O 2.88Å; S127-L131 PolarHBondContact O-N 3.44Å; S127-L131 VanDerWaalsContact O-N 3.09Å; L131-I170 HydrophobicContact CB-CD1 4.08Å; L131-I170 HydrophobicContact CD1-CD1 3.72Å; L131-I170 HydrophobicContact CD1-CG1 3.92Å; L131-I170 HydrophobicContact CG-CD1 4.43Å; L131-A177 HydrophobicContact CD1-CB 4.06Å
132A89.1Confident89Confident0 Ų042.5 Ų42.50%023%0.23CC..EExtended strand (participates in β ladder)trans-135.9156.7172.500000110.3A67 P69A67-A132 PolarHBondContact N-O 3.47Å; A67-A132 PolarHBondContact O-N 3.34Å; A67-A132 VanDerWaalsContact O-O 3.08Å; P69-A132 HydrophobicContact CB-CB 4.04Å; P69-A132 HydrophobicContact CG-CB 4.39Å
133W89.7Confident89.4Confident20 Ų2042.1 Ų42.18%0.07623%0.23CC..EExtended strand (participates in β ladder)trans-76138172.2-76.6109.9000111A64 F66 Y78 L124 I126 L165 P166 V168A64-W133 HydrophobicContact CB-CE3 3.66Å; A64-W133 HydrophobicContact CB-CH2 4.41Å; A64-W133 HydrophobicContact CB-CZ3 3.53Å; F66-W133 HydrophobicContact CD1-CD2 4.16Å; F66-W133 AromaticContact CD1-CE3 3.98Å; F66-W133 HydrophobicContact CD1-CE3 3.98Å; F66-W133 HydrophobicContact CD1-CH2 4.26Å; F66-W133 HydrophobicContact CD1-CZ2 4.41Å; F66-W133 HydrophobicContact CD1-CZ3 4.02Å; F66-W133 AromaticContact CE1-CD2 3.78Å; F66-W133 HydrophobicContact CE1-CD2 3.78Å; F66-W133 AromaticContact CE1-CE2 3.53Å; F66-W133 AromaticContact CE1-CE3 3.74Å; F66-W133 HydrophobicContact CE1-CE3 3.74Å; F66-W133 AromaticContact CE1-CH2 3.29Å; F66-W133 HydrophobicContact CE1-CH2 3.29Å; F66-W133 AromaticContact CE1-CZ2 3.31Å; F66-W133 HydrophobicContact CE1-CZ2 3.31Å; F66-W133 AromaticContact CE1-CZ3 3.49Å; F66-W133 HydrophobicContact CE1-CZ3 3.49Å; F66-W133 VanDerWaalsContact CE1-CZ3 3.49Å; F66-W133 HydrophobicContact CE2-CH2 4.05Å; F66-W133 HydrophobicContact CE2-CZ3 4.21Å; F66-W133 HydrophobicContact CZ-CE3 4.33Å; F66-W133 AromaticContact CZ-CH2 3.16Å; F66-W133 HydrophobicContact CZ-CH2 3.16Å; F66-W133 AromaticContact CZ-CZ2 3.52Å; F66-W133 HydrophobicContact CZ-CZ2 3.52Å; F66-W133 AromaticContact CZ-CZ3 3.6Å; F66-W133 HydrophobicContact CZ-CZ3 3.6Å; Y78-W133 PolarHBondContact N-O 3.43Å; L124-W133 HydrophobicContact CB-CB 4.08Å; L124-W133 HydrophobicContact CD2-CB 3.91Å; L124-W133 WeakPolarHBondContact O-CB 3.44Å; L124-W133 PolarHBondContact O-N 3.04Å; I126-W133 HydrophobicContact CD1-CD2 4.42Å; I126-W133 HydrophobicContact CD1-CG 4.32Å; W133-L165 HydrophobicContact CD2-CD1 4.39Å; W133-L165 HydrophobicContact CG-CD1 4.37Å; W133-L165 HydrophobicContact CZ2-CB 4.34Å; W133-P166 HydrophobicContact CH2-CG 3.99Å; W133-P166 HydrophobicContact CZ2-CG 4.18Å; W133-V168 HydrophobicContact CH2-CG2 4.39Å; W133-V168 HydrophobicContact CZ2-CG2 3.62Å
134V91.8Very high89.7Confident5 Ų538.9 Ų38.93%0.0321%0.211CC..EExtended strand (participates in β ladder)trans-112.3118.3167.1-1750000107.6A64 E65 A67 Y78 V80 Y136A64-V134 CarbonylContact C-O 3.53Å; A64-V134 WeakPolarHBondContact CA-O 3.43Å; E65-V134 PolarHBondContact N-O 3.22Å; E65-V134 PolarHBondContact O-N 3.42Å; A67-V134 HydrophobicContact CB-CG2 3.33Å; Y78-V134 HydrophobicContact CD2-CG2 3.89Å; Y78-V134 HydrophobicContact CG-CG2 4.32Å; Y78-V134 WeakPolarHBondContact O-CA 3.29Å; V80-V134 HydrophobicContact CG2-CG1 4.35Å; V134-Y136 HydrophobicContact CB-CE2 4.3Å; V134-Y136 HydrophobicContact CG1-CD1 4.38Å; V134-Y136 HydrophobicContact CG1-CD2 4.18Å; V134-Y136 HydrophobicContact CG1-CE1 3.89Å; V134-Y136 HydrophobicContact CG1-CE2 3.68Å
135L93.1Very high90Very high0 Ų040.5 Ų40.50%022%0.22CC..EExtended strand (participates in β ladder)trans-98109.4173.2-58.6-176.5000108.9V62 K63 A64 Y78 V79 V80 I119 L124 L165 L187V62-L135 HydrophobicContact CG1-CB 4.36Å; V62-L135 HydrophobicContact CG1-CD2 4.49Å; K63-L135 WeakPolarHBondContact O-CA 3.29Å; A64-L135 HydrophobicContact CB-CD2 3.71Å; Y78-L135 PolarHBondContact O-N 2.86Å; V79-L135 WeakPolarHBondContact CA-O 3.01Å; V79-L135 HydrophobicContact CG1-CB 4.43Å; V79-L135 HydrophobicContact CG2-CB 4.42Å; V79-L135 HydrophobicContact CG2-CD1 4.38Å; V80-L135 PolarHBondContact N-O 3.22Å; I119-L135 HydrophobicContact CD1-CD1 4.24Å; L124-L135 HydrophobicContact CD1-CD1 4.18Å; L124-L135 HydrophobicContact CD1-CG 4.42Å; L124-L135 HydrophobicContact CD2-CD1 3.88Å; L124-L135 HydrophobicContact CD2-CG 4.13Å; L135-L165 HydrophobicContact CD2-CD1 4.41Å; L135-L165 HydrophobicContact CD2-CD2 4.19Å; L135-L187 HydrophobicContact CD1-CD2 4.02Å
136Y94.8Very high90.1Very high83 Ų8339.1 Ų39.133%0.32521%0.211SC..EExtended strand (participates in β ladder)trans-85115.6167.2-63.7-71000108.6V62 K63 E65 V80 V134V62-Y136 CarbonylContact C-O 3.6Å; V62-Y136 VanDerWaalsContact CA-O 3.29Å; V62-Y136 WeakPolarHBondContact CA-O 3.48Å; K63-Y136 PolarHBondContact N-O 3.42Å; K63-Y136 PolarHBondContact O-N 3.29Å; E65-Y136 HydrophobicContact CB-CE2 4.05Å; E65-Y136 HydrophobicContact CG-CD2 4.17Å; E65-Y136 HydrophobicContact CG-CE2 3.97Å; E65-Y136 VanDerWaalsContact OE2-CE2 3.31Å; E65-Y136 WeakPolarHBondContact OE2-CE2 3.44Å; V80-Y136 HydrophobicContact CB-CD1 3.9Å; V80-Y136 HydrophobicContact CB-CE1 4.17Å; V80-Y136 HydrophobicContact CG1-CD1 4.25Å; V80-Y136 HydrophobicContact CG1-CE1 4.42Å; V80-Y136 HydrophobicContact CG2-CD1 4.47Å; V80-Y136 HydrophobicContact CG2-CE1 4.29Å; V134-Y136 HydrophobicContact CB-CE2 4.3Å; V134-Y136 HydrophobicContact CG1-CD1 4.38Å; V134-Y136 HydrophobicContact CG1-CD2 4.18Å; V134-Y136 HydrophobicContact CG1-CE1 3.89Å; V134-Y136 HydrophobicContact CG1-CE2 3.68Å
137C94.9Very high90.4Very high0 Ų037.1 Ų37.10%020%0.2CC..EExtended strand (participates in β ladder)trans-106.994.3177.4-61.40000107.8V62 V80 P81 N82 L139 L156V62-C137 HydrophobicContact CG2-CB 4.45Å; V80-C137 PolarHBondContact O-N 2.87Å; P81-C137 CarbonylContact C-O 3.54Å; P81-C137 WeakPolarHBondContact CA-O 3.48Å; N82-C137 PolarHBondContact N-O 2.86Å; C137-L139 WeakPolarHBondContact O-CD1 3.33Å; C137-L156 HydrophobicContact CB-CD1 3.69Å
138D95.2Very high90.8Very high65 Ų6535.9 Ų35.935%0.34819%0.192SC..EExtended strand (participates in β ladder)trans-91.2120.2177.9-67.8-53.1000109.7C60 G61 N82C60-D138 CarbonylContact C-O 3.59Å; C60-D138 WeakPolarHBondContact CA-O 3.3Å; G61-D138 PolarHBondContact N-O 3.18Å; G61-D138 PolarHBondContact O-N 2.93Å; N82-D138 PolarHBondContact ND2-OD1 2.77Å
139L95.3Very high91.3Very high0 Ų032.5 Ų32.50%017%0.169CC..EExtended strand (participates in β ladder)trans-109.9125.1175.1-63.897000108.9V58 I59 C60 N82 V83 D84 C137 C152 A155 L156V58-L139 HydrophobicContact CG1-CB 4.35Å; V58-L139 HydrophobicContact CG1-CD2 4.34Å; I59-L139 CarbonylContact O-C 3.53Å; I59-L139 VanDerWaalsContact O-CA 3.31Å; I59-L139 WeakPolarHBondContact O-CA 3.34Å; C60-L139 HydrophobicContact CB-CD2 4.19Å; C60-L139 HydrophobicContact CB-CG 3.99Å; N82-L139 PolarHBondContact O-N 3.31Å; V83-L139 CarbonylContact C-O 3.57Å; V83-L139 WeakPolarHBondContact CA-O 3.2Å; V83-L139 HydrophobicContact CG2-CB 4.12Å; V83-L139 HydrophobicContact CG2-CD1 4.21Å; D84-L139 PolarHBondContact N-O 2.9Å; C137-L139 WeakPolarHBondContact O-CD1 3.33Å; L139-C152 HydrophobicContact CD2-CB 3.77Å; L139-C152 WeakPolarHBondContact CD2-O 2.82Å; L139-A155 HydrophobicContact CD2-CB 4.36Å; L139-L156 HydrophobicContact CD2-CB 4.27Å
140I94.6Very high91.9Very high65 Ų6530.8 Ų30.833%0.33315%0.148SC..EExtended strand (participates in β ladder)trans-122124.4178.5-55.5177.8000108.1V58 I59 D84 P86 L142V58-I140 WeakPolarHBondContact CA-O 3.23Å; I59-I140 HydrophobicContact CG2-CB 3.93Å; I59-I140 PolarHBondContact N-O 3.36Å; I59-I140 PolarHBondContact O-N 3.05Å; D84-I140 HydrophobicContact CB-CG1 4.45Å; P86-I140 HydrophobicContact CG-CG2 3.77Å; I140-L142 HydrophobicContact CG2-CD2 4.42Å
141C93.9Very high92.4Very high1 Ų124.1 Ų24.11%0.00712%0.119CC..EExtended strand (participates in β ladder)trans-78.5125.3169.8-172.20000109.5V58 D84 L85 P86 C89 D143 I148V58-C141 HydrophobicContact CG2-CB 4.4Å; D84-C141 PolarHBondContact O-N 2.83Å; D84-C141 VanDerWaalsContact O-N 3.13Å; L85-C141 HydrophobicContact CD2-CB 3.4Å; L85-C141 VanDerWaalsContact CD2-CB 3.4Å; P86-C141 WeakPolarHBondContact CD-O 3.41Å; P86-C141 WeakPolarHBondContact CG-O 3.45Å; C89-C141 HydrophobicContact CB-CB 4.08Å; C89-C141 WeakPolarHBondContact CB-O 3.47Å; C141-D143 PolarHBondContact SG-O 3.03Å; C141-I148 HydrophobicContact CB-CD1 3.87Å
142L93.4Very high92.8Very high63 Ų6322.4 Ų22.433%0.3311%0.11SC..EExtended strand (participates in β ladder)trans-93.8-36.4177.6-59.8-178.8000112L50 T57 I59 L88 C89 I140L50-L142 HydrophobicContact CD1-CD1 4.13Å; T57-L142 HydrophobicContact CG2-CB 4.29Å; T57-L142 HydrophobicContact CG2-CD1 4.06Å; T57-L142 PolarHBondContact O-N 2.87Å; I59-L142 HydrophobicContact CG2-CD2 4.36Å; I59-L142 HydrophobicContact CG2-CG 4.37Å; L88-L142 HydrophobicContact CD2-CD2 4.08Å; C89-L142 VanDerWaalsContact CA-O 3.3Å; C89-L142 WeakPolarHBondContact CA-O 3.44Å; I140-L142 HydrophobicContact CG2-CD2 4.42Å
143D93.5Very high93Very high72 Ų7222.5 Ų22.539%0.38511%0.111SC..EExtended strand (participates in β ladder)trans-142.8127.5179.6-166.8-8.7000107.6N55 T56 T57 C141N55-D143 WeakPolarHBondContact O-CB 3.46Å; T56-D143 CarbonylContact C-O 3.56Å; T56-D143 VanDerWaalsContact CA-O 3.25Å; T56-D143 WeakPolarHBondContact CA-O 3.24Å; T57-D143 PolarHBondContact N-O 3.08Å; T57-D143 PolarHBondContact O-N 3.02Å; C141-D143 PolarHBondContact SG-O 3.03Å
144Y92.2Very high93.1Very high24 Ų2422.1 Ų22.19%0.09411%0.11CC..  trans-111.2107.7-174.9-178.3-83.2000109.8C89 F93 E101 I148C89-Y144 PolarHBondContact O-N 3.44Å; F93-Y144 HydrophobicContact CE2-CD1 4.34Å; F93-Y144 HydrophobicContact CE2-CD2 4.09Å; F93-Y144 AromaticContact CE2-CG 3.96Å; F93-Y144 HydrophobicContact CE2-CG 3.96Å; F93-Y144 HydrophobicContact CZ-CD2 4.16Å; F93-Y144 HydrophobicContact CZ-CE2 4.21Å; F93-Y144 HydrophobicContact CZ-CG 4.41Å; E101-Y144 WeakPolarHBondContact OE1-CE2 3.49Å; E101-Y144 VanDerWaalsContact OE1-CZ 3.31Å; E101-Y144 PolarHBondContact OE1-OH 2.93Å; Y144-I148 HydrophobicContact CD2-CB 4.25Å; Y144-I148 HydrophobicContact CE2-CB 3.85Å; Y144-I148 HydrophobicContact CE2-CG1 4.45Å; Y144-I148 HydrophobicContact CE2-CG2 3.97Å
145D90.1Very high93.2Very high35 Ų3521.9 Ų21.919%0.18711%0.108CC..  trans-129.341.4175.2-172.931000110.8R33 N55 T56 T211 G212R33-D145 PolarHBondContact NH1-O 3.37Å; R33-D145 IonicContact NH1-OD2 2.76Å; R33-D145 PolarHBondContact NH1-OD2 2.86Å; R33-D145 PolarHBondContact NH2-O 2.88Å; N55-D145 HydrophobicContact CB-CB 3.75Å; N55-D145 WeakPolarHBondContact CB-OD2 3.44Å; N55-D145 PolarHBondContact ND2-OD2 3.07Å; T56-D145 WeakPolarHBondContact OG1-CA 3.24Å; T56-D145 PolarHBondContact OG1-N 3.03Å; T56-D145 PolarHBondContact OG1-O 3.2Å; D145-T211 CarbonylContact O-C 3.56Å; D145-T211 WeakPolarHBondContact O-CA 3.33Å; D145-G212 PolarHBondContact O-N 2.98Å
146G88.7Confident93.2Very high0 Ų022 Ų220%011%0.109CC..SBendtrans81.1170.4179.600000114.3T56 I148 E215T56-G146 PolarHBondContact OG1-O 3.41Å; G146-I148 PolarHBondContact O-N 3.28Å; G146-E215 WeakPolarHBondContact CA-OE2 3.31Å
147N90.8Very high93.1Very high3 Ų318 Ų182%0.0169%0.093CC..  trans53.548.9-179.5-164.710000114.2D150 A151 S197 D209 P210 E215N147-D150 PolarHBondContact ND2-OD2 2.55Å; N147-D150 WeakPolarHBondContact OD1-CB 3.35Å; N147-D150 PolarHBondContact OD1-OD1 3.34Å; N147-D150 PolarHBondContact OD1-OD2 2.95Å; N147-D150 VanDerWaalsContact OD1-OD2 3.07Å; N147-A151 PolarHBondContact O-N 3.18Å; N147-S197 WeakPolarHBondContact OD1-CB 3.31Å; N147-S197 PolarHBondContact OD1-OG 2.9Å; N147-S197 VanDerWaalsContact OD1-OG 3.11Å; N147-D209 VanDerWaalsContact CB-OD1 3.29Å; N147-D209 WeakPolarHBondContact CB-OD1 3.25Å; N147-D209 PolarHBondContact ND2-OD1 2.9Å; N147-P210 PolarHBondContact N-O 2.74Å; N147-E215 PolarHBondContact N-OE2 2.95Å
148I92.7Very high93Very high3 Ų318 Ų182%0.0159%0.093CC..Hα-helixtrans-66.5-35.9-179-175.558.1000112.7V58 L85 C141 Y144 G146 D150 A151 C152V58-I148 HydrophobicContact CG2-CD1 3.51Å; L85-I148 HydrophobicContact CD2-CD1 4.22Å; L85-I148 HydrophobicContact CD2-CG1 4.17Å; C141-I148 HydrophobicContact CB-CD1 3.87Å; Y144-I148 HydrophobicContact CD2-CB 4.25Å; Y144-I148 HydrophobicContact CE2-CB 3.85Å; Y144-I148 HydrophobicContact CE2-CG1 4.45Å; Y144-I148 HydrophobicContact CE2-CG2 3.97Å; G146-I148 PolarHBondContact O-N 3.28Å; I148-D150 PolarHBondContact O-N 3.4Å; I148-A151 WeakPolarHBondContact O-CB 3.25Å; I148-A151 PolarHBondContact O-N 3.07Å; I148-C152 WeakPolarHBondContact O-CB 3.39Å; I148-C152 PolarHBondContact O-N 3.07Å; I148-C152 PolarHBondContact O-SG 2.86Å
149L93.4Very high92.8Very high21 Ų2115 Ų1511%0.118%0.077CC..Hα-helixtrans-64.8-44-175-60.9177.2000111.6A105 F108 A151 C152 T153 T223A105-L149 HydrophobicContact CB-CD2 3.94Å; F108-L149 HydrophobicContact CB-CD2 4.45Å; F108-L149 HydrophobicContact CD1-CB 4.33Å; F108-L149 HydrophobicContact CD1-CD2 3.75Å; F108-L149 HydrophobicContact CD1-CG 4.43Å; F108-L149 HydrophobicContact CE1-CB 3.97Å; F108-L149 HydrophobicContact CE1-CD2 4.26Å; F108-L149 HydrophobicContact CE1-CG 4.48Å; F108-L149 HydrophobicContact CG-CD2 4.2Å; L149-A151 VanDerWaalsContact C-N 3.34Å; L149-C152 PolarHBondContact O-N 3.42Å; L149-T153 PolarHBondContact O-N 2.67Å; L149-T153 PolarHBondContact O-OG1 3.15Å; L149-T223 HydrophobicContact CB-CG2 4.22Å; L149-T223 HydrophobicContact CD1-CG2 4.25Å; L149-T223 WeakPolarHBondContact CD1-OG1 3.42Å
150D93.1Very high92.6Very high10 Ų1015 Ų155%0.0538%0.077CC..Hα-helixtrans-65.1-41.4176.9-636.4000111.1N147 I148 C152 T153 F154 A195 T196 S197N147-D150 PolarHBondContact ND2-OD2 2.55Å; N147-D150 WeakPolarHBondContact OD1-CB 3.35Å; N147-D150 PolarHBondContact OD1-OD1 3.34Å; N147-D150 PolarHBondContact OD1-OD2 2.95Å; N147-D150 VanDerWaalsContact OD1-OD2 3.07Å; I148-D150 PolarHBondContact O-N 3.4Å; D150-C152 VanDerWaalsContact C-N 3.34Å; D150-C152 PolarHBondContact O-N 3.3Å; D150-T153 PolarHBondContact O-N 3.11Å; D150-F154 WeakPolarHBondContact O-CB 3.35Å; D150-F154 PolarHBondContact O-N 2.66Å; D150-A195 VanDerWaalsContact CG-O 3.26Å; D150-A195 VanDerWaalsContact OD1-C 3.28Å; D150-T196 VanDerWaalsContact OD1-C 3.3Å; D150-T196 WeakPolarHBondContact OD1-CA 3.46Å; D150-T196 PolarHBondContact OD1-N 3.11Å; D150-T196 VanDerWaalsContact OD2-CA 3.23Å; D150-T196 WeakPolarHBondContact OD2-CA 3.41Å; D150-S197 VanDerWaalsContact CG-N 3.29Å; D150-S197 WeakPolarHBondContact OD1-CB 3.49Å; D150-S197 PolarHBondContact OD1-N 2.82Å; D150-S197 PolarHBondContact OD1-OG 3.29Å; D150-S197 PolarHBondContact OD2-N 3.46Å
151A93.6Very high92.4Very high0 Ų014.5 Ų14.50%07%0.072CC..Hα-helixtrans-59.5-45.2176.100000111.8L53 T56 V58 N147 I148 L149 A155L53-A151 HydrophobicContact CD1-CB 3.29Å; T56-A151 HydrophobicContact CG2-CB 4.26Å; V58-A151 HydrophobicContact CB-CB 4.2Å; V58-A151 HydrophobicContact CG2-CB 3.55Å; N147-A151 PolarHBondContact O-N 3.18Å; I148-A151 WeakPolarHBondContact O-CB 3.25Å; I148-A151 PolarHBondContact O-N 3.07Å; L149-A151 VanDerWaalsContact C-N 3.34Å; A151-A155 WeakPolarHBondContact O-CB 3.38Å; A151-A155 PolarHBondContact O-N 3.37Å
152C94.5Very high92.1Very high1 Ų116.3 Ų16.31%0.0078%0.082CC..Hα-helixtrans-64.2-48.7177.9-73.40000112.1I109 L139 I148 L149 D150 F154 A155 L156I109-C152 HydrophobicContact CD1-CB 3.76Å; I109-C152 HydrophobicContact CG1-CB 4.1Å; L139-C152 HydrophobicContact CD2-CB 3.77Å; L139-C152 WeakPolarHBondContact CD2-O 2.82Å; I148-C152 WeakPolarHBondContact O-CB 3.39Å; I148-C152 PolarHBondContact O-N 3.07Å; I148-C152 PolarHBondContact O-SG 2.86Å; L149-C152 PolarHBondContact O-N 3.42Å; D150-C152 VanDerWaalsContact C-N 3.34Å; D150-C152 PolarHBondContact O-N 3.3Å; C152-F154 VanDerWaalsContact C-N 3.31Å; C152-F154 PolarHBondContact O-N 2.93Å; C152-A155 PolarHBondContact O-N 3.23Å; C152-L156 VanDerWaalsContact O-CB 3.29Å; C152-L156 WeakPolarHBondContact O-CB 3.34Å; C152-L156 PolarHBondContact O-N 3.45Å
153T93.5Very high92Very high1 Ų113.3 Ų13.31%0.0067%0.066CC..Hα-helixtrans-61.7-41.7178.8-56.30000111.3I109 V112 L149 D150 L157 P193 A195I109-T153 WeakPolarHBondContact CD1-OG1 3.47Å; V112-T153 HydrophobicContact CG1-CG2 4.37Å; L149-T153 PolarHBondContact O-N 2.67Å; L149-T153 PolarHBondContact O-OG1 3.15Å; D150-T153 PolarHBondContact O-N 3.11Å; T153-L157 WeakPolarHBondContact O-CG 3.21Å; T153-L157 PolarHBondContact O-N 3.5Å; T153-P193 WeakPolarHBondContact CG2-O 3.21Å; T153-A195 HydrophobicContact CG2-CB 4.04Å; T153-A195 WeakPolarHBondContact OG1-CB 3.42Å
154F92.6Very high91.6Very high12 Ų1212.5 Ų12.55%0.0536%0.06CC..Hα-helixtrans-70.1-41.3179.3-166-128000112.5V37 V51 D150 C152 L157 A158 V262 M266V37-F154 HydrophobicContact CB-CE1 3.98Å; V37-F154 HydrophobicContact CG1-CE1 4.19Å; V37-F154 HydrophobicContact CG1-CZ 4.33Å; V37-F154 HydrophobicContact CG2-CE1 4.42Å; V51-F154 HydrophobicContact CB-CD1 4.34Å; V51-F154 HydrophobicContact CG1-CD1 3.65Å; V51-F154 HydrophobicContact CG1-CE1 4.45Å; V51-F154 HydrophobicContact CG2-CD1 3.67Å; V51-F154 HydrophobicContact CG2-CE1 4.23Å; V51-F154 HydrophobicContact CG2-CG 4.39Å; D150-F154 WeakPolarHBondContact O-CB 3.35Å; D150-F154 PolarHBondContact O-N 2.66Å; C152-F154 VanDerWaalsContact C-N 3.31Å; C152-F154 PolarHBondContact O-N 2.93Å; F154-L157 PolarHBondContact O-N 2.77Å; F154-A158 WeakPolarHBondContact O-CB 3.4Å; F154-A158 PolarHBondContact O-N 3.07Å; F154-V262 HydrophobicContact CD2-CG1 3.31Å; F154-V262 HydrophobicContact CE2-CB 4.5Å; F154-V262 HydrophobicContact CE2-CG1 3.1Å; F154-V262 HydrophobicContact CG-CG1 4.16Å; F154-V262 HydrophobicContact CZ-CG1 3.77Å; F154-M266 HydrophobicContact CE2-CB 4.14Å; F154-M266 HydrophobicContact CE2-SD 4.43Å; F154-M266 HydrophobicContact CZ-CB 4.36Å
155A93.9Very high91.3Very high0 Ų011.9 Ų11.90%06%0.059CC..Hα-helixtrans-63.1-42.1175.500000111.7V51 V58 C60 L139 A151 C152 A158 A159V51-A155 HydrophobicContact CB-CB 4.09Å; V51-A155 HydrophobicContact CG2-CB 3.88Å; V58-A155 HydrophobicContact CB-CB 4.46Å; V58-A155 HydrophobicContact CG1-CB 4.04Å; C60-A155 HydrophobicContact CB-CB 3.86Å; L139-A155 HydrophobicContact CD2-CB 4.36Å; A151-A155 WeakPolarHBondContact O-CB 3.38Å; A151-A155 PolarHBondContact O-N 3.37Å; C152-A155 PolarHBondContact O-N 3.23Å; A155-A158 PolarHBondContact O-N 3.06Å; A155-A159 VanDerWaalsContact O-CB 3.25Å; A155-A159 WeakPolarHBondContact O-CB 3.39Å; A155-A159 PolarHBondContact O-N 2.82Å
156L93.7Very high91.1Very high2 Ų211 Ų111%0.016%0.055CC..Hα-helixtrans-60.1-51.5175.7177.868.1000111.3I109 I113 C137 L139 C152 A158 A159 L160I109-L156 HydrophobicContact CG2-CD2 3.56Å; I113-L156 HydrophobicContact CD1-CD2 3.7Å; I113-L156 HydrophobicContact CG1-CD2 3.73Å; C137-L156 HydrophobicContact CB-CD1 3.69Å; L139-L156 HydrophobicContact CD2-CB 4.27Å; C152-L156 VanDerWaalsContact O-CB 3.29Å; C152-L156 WeakPolarHBondContact O-CB 3.34Å; C152-L156 PolarHBondContact O-N 3.45Å; L156-A158 VanDerWaalsContact C-N 3.34Å; L156-A158 PolarHBondContact O-N 3.24Å; L156-A159 PolarHBondContact O-N 2.83Å; L156-L160 HydrophobicContact CD1-CD1 3.98Å; L156-L160 HydrophobicContact CD1-CG 4.03Å; L156-L160 HydrophobicContact CD2-CD1 4.45Å; L156-L160 HydrophobicContact CG-CD1 3.88Å; L156-L160 HydrophobicContact CG-CG 4.28Å; L156-L160 WeakPolarHBondContact O-CB 3.29Å; L156-L160 VanDerWaalsContact O-CG 3.29Å; L156-L160 WeakPolarHBondContact O-CG 3.45Å; L156-L160 PolarHBondContact O-N 3.21Å
157L91.9Very high90.6Very high1 Ų115.2 Ų15.21%0.0057%0.074CC..Hα-helixtrans-58.9-46.1179.8-79.9-175.2000112.4I118 T153 F154 A159 L160 K161 I189 H192 P193 V194 M266I118-L157 HydrophobicContact CD1-CD2 4.13Å; I118-L157 HydrophobicContact CG2-CD2 4.17Å; T153-L157 WeakPolarHBondContact O-CG 3.21Å; T153-L157 PolarHBondContact O-N 3.5Å; F154-L157 PolarHBondContact O-N 2.77Å; L157-A159 VanDerWaalsContact C-N 3.32Å; L157-A159 PolarHBondContact O-N 2.84Å; L157-L160 PolarHBondContact O-N 3.27Å; L157-K161 PolarHBondContact O-N 2.81Å; L157-K161 VanDerWaalsContact O-N 3.08Å; L157-I189 HydrophobicContact CD2-CD1 4.38Å; L157-H192 HydrophobicContact CD1-CB 4.49Å; L157-P193 WeakPolarHBondContact CD1-O 3.12Å; L157-P193 HydrophobicContact CD2-CG 4.17Å; L157-V194 HydrophobicContact CD1-CG2 4.48Å; L157-M266 HydrophobicContact CB-SD 4.36Å
158A91.8Very high90.1Very high0 Ų016 Ų160%08%0.079CC..Hα-helixtrans-63.3-39.9178.700000111.5V37 I39 A49 F154 A155 L156 N162V37-A158 HydrophobicContact CG2-CB 3.88Å; I39-A158 HydrophobicContact CD1-CB 4.48Å; I39-A158 HydrophobicContact CG1-CB 4.28Å; A49-A158 HydrophobicContact CB-CB 3.5Å; F154-A158 WeakPolarHBondContact O-CB 3.4Å; F154-A158 PolarHBondContact O-N 3.07Å; A155-A158 PolarHBondContact O-N 3.06Å; L156-A158 VanDerWaalsContact C-N 3.34Å; L156-A158 PolarHBondContact O-N 3.24Å; A158-N162 PolarHBondContact O-N 2.99Å
159A92.6Very high89.3Confident0 Ų019.2 Ų19.20%010%0.099CC..Hα-helixtrans-68.7-44.2178.100000111.7A49 C60 V62 A155 L156 L157 K161 N162 V163A49-A159 HydrophobicContact CB-CB 3.96Å; C60-A159 HydrophobicContact CB-CB 3.83Å; C60-A159 VanDerWaalsContact SG-CB 3.53Å; V62-A159 HydrophobicContact CG2-CB 3.84Å; A155-A159 VanDerWaalsContact O-CB 3.25Å; A155-A159 WeakPolarHBondContact O-CB 3.39Å; A155-A159 PolarHBondContact O-N 2.82Å; L156-A159 PolarHBondContact O-N 2.83Å; L157-A159 VanDerWaalsContact C-N 3.32Å; L157-A159 PolarHBondContact O-N 2.84Å; A159-K161 VanDerWaalsContact C-N 3.32Å; A159-K161 PolarHBondContact O-N 3.21Å; A159-N162 WeakPolarHBondContact O-CA 3.13Å; A159-N162 WeakPolarHBondContact O-CB 3.23Å; A159-N162 PolarHBondContact O-N 3.12Å; A159-V163 WeakPolarHBondContact O-CG2 3.36Å; A159-V163 PolarHBondContact O-N 2.98Å
160L90.9Very high88.3Confident0 Ų020.1 Ų20.10%010%0.104CC..Hα-helixtrans-60.5-38177.6-73.3177.5000112.5V62 I118 I119 L156 L157 N162 V163 L187 I189V62-L160 HydrophobicContact CG2-CD2 4.3Å; I118-L160 HydrophobicContact CG2-CD1 4.11Å; I119-L160 HydrophobicContact CD1-CD1 3.94Å; I119-L160 HydrophobicContact CD1-CD2 3.86Å; I119-L160 HydrophobicContact CD1-CG 4.47Å; L156-L160 HydrophobicContact CD1-CD1 3.98Å; L156-L160 HydrophobicContact CD1-CG 4.03Å; L156-L160 HydrophobicContact CD2-CD1 4.45Å; L156-L160 HydrophobicContact CG-CD1 3.88Å; L156-L160 HydrophobicContact CG-CG 4.28Å; L156-L160 WeakPolarHBondContact O-CB 3.29Å; L156-L160 VanDerWaalsContact O-CG 3.29Å; L156-L160 WeakPolarHBondContact O-CG 3.45Å; L156-L160 PolarHBondContact O-N 3.21Å; L157-L160 PolarHBondContact O-N 3.27Å; L160-N162 PolarHBondContact O-N 3.39Å; L160-V163 HydrophobicContact CD2-CG2 4.38Å; L160-V163 WeakPolarHBondContact O-CB 3.34Å; L160-V163 PolarHBondContact O-N 3.43Å; L160-L187 HydrophobicContact CD2-CD2 4.26Å; L160-I189 HydrophobicContact CB-CG2 4.26Å
161K88.8Confident87.4Confident55 Ų5522.9 Ų22.924%0.23912%0.118CC..Hα-helixtrans-62.4-27.2172.8-80.4-61.3-162.4-159.40113.6L157 A159 I189 H192 I270L157-K161 PolarHBondContact O-N 2.81Å; L157-K161 VanDerWaalsContact O-N 3.08Å; A159-K161 VanDerWaalsContact C-N 3.32Å; A159-K161 PolarHBondContact O-N 3.21Å; K161-I189 HydrophobicContact CD-CD1 3.42Å; K161-I189 VanDerWaalsContact CD-CD1 3.42Å; K161-I189 HydrophobicContact CD-CG1 3.59Å; K161-I189 HydrophobicContact CG-CD1 3.59Å; K161-I189 HydrophobicContact CG-CG1 4.33Å; K161-H192 WeakPolarHBondContact CE-CE1 3.2Å; K161-H192 PolarHBondContact NZ-CE1 3.38Å; K161-H192 PolarHBondContact NZ-NE2 2.9Å; K161-I270 HydrophobicContact CB-CD1 4.44Å; K161-I270 HydrophobicContact CD-CD1 4.43Å; K161-I270 HydrophobicContact CG-CD1 4.12Å
162N89Confident86.1Confident39 Ų3932 Ų3221%0.20916%0.161CC..Hα-helixtrans-87.3-12.2179.3-16146.6000113.7I39 G40 A158 A159 L160 Q164I39-N162 HydrophobicContact CG2-CB 3.38Å; G40-N162 VanDerWaalsContact CA-ND2 3.32Å; G40-N162 WeakPolarHBondContact CA-ND2 3.43Å; A158-N162 PolarHBondContact O-N 2.99Å; A159-N162 WeakPolarHBondContact O-CA 3.13Å; A159-N162 WeakPolarHBondContact O-CB 3.23Å; A159-N162 PolarHBondContact O-N 3.12Å; L160-N162 PolarHBondContact O-N 3.39Å; N162-Q164 PolarHBondContact O-N 3.05Å
163V89.9Confident84.5Confident0 Ų041.4 Ų41.40%021%0.205CC..  trans-62.1123-174.6175.50000109.8D46 V62 A159 L160 L165 Y186 L187D46-V163 WeakPolarHBondContact O-CA 3.45Å; V62-V163 HydrophobicContact CB-CG2 3.72Å; V62-V163 HydrophobicContact CG1-CG2 3.6Å; V62-V163 HydrophobicContact CG2-CG2 4.08Å; A159-V163 WeakPolarHBondContact O-CG2 3.36Å; A159-V163 PolarHBondContact O-N 2.98Å; L160-V163 HydrophobicContact CD2-CG2 4.38Å; L160-V163 WeakPolarHBondContact O-CB 3.34Å; L160-V163 PolarHBondContact O-N 3.43Å; V163-L165 HydrophobicContact CG1-CD2 3.74Å; V163-L165 HydrophobicContact CG1-CG 3.86Å; V163-Y186 WeakPolarHBondContact O-CA 3.17Å; V163-L187 HydrophobicContact CB-CB 4.2Å; V163-L187 HydrophobicContact CG1-CB 4.4Å; V163-L187 PolarHBondContact O-N 3.36Å; V163-L187 VanDerWaalsContact O-N 3.17Å
164Q86.3Confident82.8Confident56 Ų5645.5 Ų45.526%0.26223%0.23SC..EExtended strand (participates in β ladder)trans-117.4107.4174.3-70.5-179.915.400109.9D46 N162 K184 S185 Y186D46-Q164 PolarHBondContact O-N 3.24Å; D46-Q164 VanDerWaalsContact O-N 3.1Å; N162-Q164 PolarHBondContact O-N 3.05Å; Q164-K184 HydrophobicContact CB-CB 4.12Å; Q164-K184 HydrophobicContact CB-CD 3.96Å; Q164-S185 WeakPolarHBondContact CA-O 2.99Å; Q164-Y186 HydrophobicContact CG-CD1 3.74Å; Q164-Y186 HydrophobicContact CG-CE1 3.53Å; Q164-Y186 HydrophobicContact CG-CE2 4.46Å; Q164-Y186 HydrophobicContact CG-CG 4.33Å; Q164-Y186 VanDerWaalsContact NE2-CE1 3.27Å; Q164-Y186 PolarHBondContact NE2-OH 3.37Å
165L85.8Confident81.3Confident11 Ų1148.3 Ų48.36%0.05826%0.256CS..EExtended strand (participates in β ladder)trans-94.8137.5179-59.6179.7000110.2A64 L124 W133 L135 V163 K184 S185 L187A64-L165 HydrophobicContact CB-CD2 3.27Å; L124-L165 HydrophobicContact CD2-CD1 4.27Å; W133-L165 HydrophobicContact CD2-CD1 4.39Å; W133-L165 HydrophobicContact CG-CD1 4.37Å; W133-L165 HydrophobicContact CZ2-CB 4.34Å; L135-L165 HydrophobicContact CD2-CD1 4.41Å; L135-L165 HydrophobicContact CD2-CD2 4.19Å; V163-L165 HydrophobicContact CG1-CD2 3.74Å; V163-L165 HydrophobicContact CG1-CG 3.86Å; L165-K184 CarbonylContact O-C 3.59Å; L165-K184 WeakPolarHBondContact O-CA 3.11Å; L165-S185 PolarHBondContact N-O 3Å; L165-S185 PolarHBondContact O-N 3.43Å; L165-S185 PolarHBondContact O-OG 3.19Å; L165-L187 HydrophobicContact CD1-CD1 4.2Å
166P84.6Confident79.8Confident16 Ų1654.1 Ų54.110%0.10429%0.286CS..EExtended strand (participates in β ladder)trans-69148.6170.830.2-33.6000110.8W133 V179 K183W133-P166 HydrophobicContact CH2-CG 3.99Å; W133-P166 HydrophobicContact CZ2-CG 4.18Å; P166-V179 HydrophobicContact CB-CG1 3.65Å; P166-V179 HydrophobicContact CG-CG1 3.59Å; P166-K183 CarbonylContact C-O 3.48Å; P166-K183 WeakPolarHBondContact CA-O 3.22Å
167E80.1Confident78.5Confident88 Ų8855.9 Ų55.941%0.41130%0.301SS..EExtended strand (participates in β ladder)trans-67.5135.5168.6-78.9-174.9169.200110.3N180 K183E167-N180 PolarHBondContact O-N 3.28Å; E167-K183 HydrophobicContact CB-CB 4.35Å; E167-K183 HydrophobicContact CG-CB 4.26Å; E167-K183 PolarHBondContact N-O 3.3Å; E167-K183 WeakPolarHBondContact OE2-CD 3.49Å; E167-K183 IonicContact OE2-NZ 3.83Å
168V79.9Confident77.5Confident21 Ų2160.9 Ų60.913%0.12732%0.324CS..EExtended strand (participates in β ladder)trans-124.3124-178.5-174.30000108.5F66 I126 W133 A177 V179F66-V168 HydrophobicContact CE1-CB 4.41Å; F66-V168 HydrophobicContact CE1-CG1 4.24Å; F66-V168 HydrophobicContact CE1-CG2 3.65Å; F66-V168 HydrophobicContact CZ-CG1 4.32Å; F66-V168 HydrophobicContact CZ-CG2 3.52Å; I126-V168 HydrophobicContact CD1-CB 4.08Å; I126-V168 HydrophobicContact CD1-CG1 4.16Å; I126-V168 HydrophobicContact CD1-CG2 4.34Å; I126-V168 HydrophobicContact CG2-CB 4.27Å; I126-V168 HydrophobicContact CG2-CG1 4.31Å; W133-V168 HydrophobicContact CH2-CG2 4.39Å; W133-V168 HydrophobicContact CZ2-CG2 3.62Å; V168-A177 HydrophobicContact CG1-CB 3.86Å; V168-V179 HydrophobicContact CG2-CG1 4.46Å; V168-V179 HydrophobicContact CG2-CG2 4.31Å
169T74.8Confident76.6Confident70 Ų7063.3 Ų63.343%0.42934%0.339SS..EExtended strand (participates in β ladder)trans-114.2131.2174.9400000108.9E178T169-E178 PolarHBondContact N-O 2.98Å; T169-E178 VanDerWaalsContact N-O 3.11Å; T169-E178 PolarHBondContact O-N 2.68Å; T169-E178 PolarHBondContact OG1-O 3.35Å
170I73.8Confident75.7Confident40 Ų4066.6 Ų66.621%0.20536%0.357CS..EExtended strand (participates in β ladder)trans-94.2119.2176.1-63.3164.4000107.3I126 L131 E172I126-I170 HydrophobicContact CG2-CD1 3.88Å; I126-I170 HydrophobicContact CG2-CG1 4.26Å; L131-I170 HydrophobicContact CB-CD1 4.08Å; L131-I170 HydrophobicContact CD1-CD1 3.72Å; L131-I170 HydrophobicContact CD1-CG1 3.92Å; L131-I170 HydrophobicContact CG-CD1 4.43Å; I170-E172 PolarHBondContact O-N 2.91Å
171N73.5Confident74.7Confident67 Ų6772.9 Ų72.936%0.35839%0.389SS..  trans-77.9116.7172.1-74.3-40.7000108.7E173 T174 A175 L176 E178N171-E173 PolarHBondContact O-N 3.44Å; N171-T174 WeakPolarHBondContact CB-OG1 3.32Å; N171-T174 PolarHBondContact O-N 2.76Å; N171-A175 WeakPolarHBondContact O-CA 3.28Å; N171-A175 PolarHBondContact O-N 3.49Å; N171-L176 PolarHBondContact N-O 2.88Å; N171-E178 PolarHBondContact ND2-OE2 3.03Å
172E66.6Low73.8Confident192 Ų19280 Ų8090%0.89742%0.42SS*.THydrogen-bonded Turntrans-63.4-24-174.9-64.9-171.8164.700113.5I170I170-E172 PolarHBondContact O-N 2.91Å
173E59.8Low73.1Confident198 Ų19884.2 Ų84.293%0.92544%0.437SS*.THydrogen-bonded Turntrans-83.7-30.5-179.4-67.3-172.3151.300114.2N171N171-E173 PolarHBondContact O-N 3.44Å
174T59.3Low72.5Confident87 Ų8789.2 Ų89.253%0.53446%0.458SS..THydrogen-bonded Turntrans-109.2-10.1-177.443.90000113.5N171 L176N171-T174 WeakPolarHBondContact CB-OG1 3.32Å; N171-T174 PolarHBondContact O-N 2.76Å; T174-L176 PolarHBondContact O-N 2.91Å
175A60.2Low72.2Confident72 Ų7289.3 Ų89.360%0.59547%0.466SS*.  trans53.116.3-172.200000114N171N171-A175 WeakPolarHBondContact O-CA 3.28Å; N171-A175 PolarHBondContact O-N 3.49Å
176L63.3Low72Confident121 Ų12195.2 Ų95.263%0.63449%0.488SS*.  trans-91.5133.4178.2-73.4170000109.4N171 T174 E178N171-L176 PolarHBondContact N-O 2.88Å; T174-L176 PolarHBondContact O-N 2.91Å; L176-E178 PolarHBondContact O-N 3.02Å
177A65.5Low71.9Confident39 Ų3995.3 Ų95.332%0.32249%0.488SS..EExtended strand (participates in β ladder)trans-76.5111.6171.900000109.1L131 V168L131-A177 HydrophobicContact CD1-CB 4.06Å; V168-A177 HydrophobicContact CG1-CB 3.86Å
178E70.9Confident71.8Confident106 Ų10697 Ų9750%0.49550%0.5SS..EExtended strand (participates in β ladder)trans-89.1112.8172.3-165.1172.7176.500108.5T169 N171 L176T169-E178 PolarHBondContact N-O 2.98Å; T169-E178 VanDerWaalsContact N-O 3.11Å; T169-E178 PolarHBondContact O-N 2.68Å; T169-E178 PolarHBondContact OG1-O 3.35Å; N171-E178 PolarHBondContact ND2-OE2 3.03Å; L176-E178 PolarHBondContact O-N 3.02Å
179V72.7Confident72Confident51 Ų5196.7 Ų96.731%0.30950%0.497SS..EExtended strand (participates in β ladder)trans-93112.1-177.2-175.90000109.2F66 P166 V168 L181F66-V179 HydrophobicContact CE2-CG2 4Å; F66-V179 HydrophobicContact CZ-CG2 4.03Å; P166-V179 HydrophobicContact CB-CG1 3.65Å; P166-V179 HydrophobicContact CG-CG1 3.59Å; V168-V179 HydrophobicContact CG2-CG1 4.46Å; V168-V179 HydrophobicContact CG2-CG2 4.31Å; V179-L181 HydrophobicContact CG1-CD2 4.05Å; V179-L181 HydrophobicContact CG1-CG 4.43Å; V179-L181 PolarHBondContact O-N 3.42Å; V179-L181 VanDerWaalsContact O-N 3.1Å
180N74.4Confident72.4Confident70 Ų70100.3 Ų100.337%0.37450%0.503SS..EExtended strand (participates in β ladder)trans-82.886.3175.1-90.1-56.4000110.5E167 K182 K183E167-N180 PolarHBondContact O-N 3.28Å; N180-K182 PolarHBondContact O-N 3.26Å; N180-K183 PolarHBondContact O-N 3.43Å; N180-K183 VanDerWaalsContact O-N 3.15Å
181L70.3Confident72.9Confident131 Ų13199.6 Ų99.669%0.68650%0.5SS*.EExtended strand (participates in β ladder)trans-58.6-19.7-179.8-66.4171.9000114.5V179V179-L181 HydrophobicContact CG1-CD2 4.05Å; V179-L181 HydrophobicContact CG1-CG 4.43Å; V179-L181 PolarHBondContact O-N 3.42Å; V179-L181 VanDerWaalsContact O-N 3.1Å
182K69.2Low73.6Confident205 Ų20597.2 Ų97.289%0.89149%0.487SS*.EExtended strand (participates in β ladder)trans-80-25.4-179.2-72.6-176.4179.4177.80113.8N180N180-K182 PolarHBondContact O-N 3.26Å
183K74Confident74.8Confident128 Ų12888.1 Ų88.156%0.55744%0.444SS*.EExtended strand (participates in β ladder)trans-108.4104.3178.8-71.4-175.1180-179.20107.9P166 E167 N180P166-K183 CarbonylContact C-O 3.48Å; P166-K183 WeakPolarHBondContact CA-O 3.22Å; E167-K183 HydrophobicContact CB-CB 4.35Å; E167-K183 HydrophobicContact CG-CB 4.26Å; E167-K183 PolarHBondContact N-O 3.3Å; E167-K183 WeakPolarHBondContact OE2-CD 3.49Å; E167-K183 IonicContact OE2-NZ 3.83Å; N180-K183 PolarHBondContact O-N 3.43Å; N180-K183 VanDerWaalsContact O-N 3.15Å
184K77.9Confident76.3Confident104 Ų10479 Ų7945%0.45240%0.403SS..EExtended strand (participates in β ladder)trans-106.1129.2172.5-62.1-169.1178.5-1670109.6Q164 L165Q164-K184 HydrophobicContact CB-CB 4.12Å; Q164-K184 HydrophobicContact CB-CD 3.96Å; L165-K184 CarbonylContact O-C 3.59Å; L165-K184 WeakPolarHBondContact O-CA 3.11Å
185S79.2Confident77.9Confident59 Ų5975.1 Ų75.141%0.41338%0.379SS..EExtended strand (participates in β ladder)trans-99.714117154.60000109.3Q164 L165Q164-S185 WeakPolarHBondContact CA-O 2.99Å; L165-S185 PolarHBondContact N-O 3Å; L165-S185 PolarHBondContact O-N 3.43Å; L165-S185 PolarHBondContact O-OG 3.19Å
186Y83.1Confident79.4Confident134 Ų13471.7 Ų71.753%0.52535%0.351SS..EExtended strand (participates in β ladder)trans-76.7145.7170.5-71-92.1000109.5V163 Q164 N188V163-Y186 WeakPolarHBondContact O-CA 3.17Å; Q164-Y186 HydrophobicContact CG-CD1 3.74Å; Q164-Y186 HydrophobicContact CG-CE1 3.53Å; Q164-Y186 HydrophobicContact CG-CE2 4.46Å; Q164-Y186 HydrophobicContact CG-CG 4.33Å; Q164-Y186 VanDerWaalsContact NE2-CE1 3.27Å; Q164-Y186 PolarHBondContact NE2-OH 3.37Å; Y186-N188 PolarHBondContact O-N 2.96Å
187L82.3Confident80.9Confident19 Ų1966.3 Ų66.310%0.09932%0.323CS..PPolyproline II helixtrans-69.4126173.3-164.376.4000110.4I119 L124 L135 L160 V163 L165 I189I119-L187 HydrophobicContact CD1-CD2 3.49Å; I119-L187 VanDerWaalsContact CD1-CD2 3.49Å; I119-L187 HydrophobicContact CG1-CD2 3.69Å; I119-L187 HydrophobicContact CG1-CG 4.46Å; I119-L187 HydrophobicContact CG2-CD1 4.46Å; I119-L187 HydrophobicContact CG2-CD2 4.47Å; L124-L187 HydrophobicContact CD2-CD1 3.93Å; L135-L187 HydrophobicContact CD1-CD2 4.02Å; L160-L187 HydrophobicContact CD2-CD2 4.26Å; V163-L187 HydrophobicContact CB-CB 4.2Å; V163-L187 HydrophobicContact CG1-CB 4.4Å; V163-L187 PolarHBondContact O-N 3.36Å; V163-L187 VanDerWaalsContact O-N 3.17Å; L165-L187 HydrophobicContact CD1-CD1 4.2Å; L187-I189 HydrophobicContact CD2-CG2 4.22Å; L187-I189 PolarHBondContact O-N 3.45Å
188N78.1Confident82.1Confident124 Ų12464.4 Ų64.466%0.66331%0.308SS*.  trans-8499.8175.1-74.8-27000109.9Y186Y186-N188 PolarHBondContact O-N 2.96Å
189I83.4Confident83.1Confident13 Ų1359.4 Ų59.47%0.06728%0.284CS..  trans-88.1133.616870.8176.9000110.6I118 I119 L157 L160 K161 L187I118-I189 HydrophobicContact CG2-CB 3.81Å; I118-I189 HydrophobicContact CG2-CD1 4.35Å; I118-I189 HydrophobicContact CG2-CG2 3.84Å; I118-I189 VanDerWaalsContact O-CA 3.3Å; I118-I189 WeakPolarHBondContact O-CA 3.35Å; I119-I189 HydrophobicContact CG1-CG2 3.94Å; L157-I189 HydrophobicContact CD2-CD1 4.38Å; L160-I189 HydrophobicContact CB-CG2 4.26Å; K161-I189 HydrophobicContact CD-CD1 3.42Å; K161-I189 VanDerWaalsContact CD-CD1 3.42Å; K161-I189 HydrophobicContact CD-CG1 3.59Å; K161-I189 HydrophobicContact CG-CD1 3.59Å; K161-I189 HydrophobicContact CG-CG1 4.33Å; L187-I189 HydrophobicContact CD2-CG2 4.22Å; L187-I189 PolarHBondContact O-N 3.45Å
190R82.9Confident83.9Confident146 Ų14657.4 Ų57.455%0.55127%0.272SS*.  trans-89.8-46.3-174.8-67.2-173.2177.4-1725.2112.6I118 Q120I118-R190 PolarHBondContact O-N 3.21Å; I118-R190 VanDerWaalsContact O-N 3.08Å; Q120-R190 VanDerWaalsContact OE1-CZ 3.23Å
191T84.6Confident84.4Confident26 Ų2654.4 Ų54.416%0.1626%0.256CS..  trans-112.2156.1-176.554.40000109.6S116 I118 D227S116-T191 PolarHBondContact O-OG1 3.25Å; I118-T191 WeakPolarHBondContact CA-OG1 3.3Å; I118-T191 PolarHBondContact N-OG1 3.43Å; T191-D227 WeakPolarHBondContact CB-OD1 3.34Å; T191-D227 VanDerWaalsContact CG2-OD2 3.27Å; T191-D227 WeakPolarHBondContact CG2-OD2 3.44Å
192H89.2Confident84.8Confident17 Ų1750.8 Ų50.88%0.07924%0.237CC..  trans-132.169.8-174.9-68.7-115.4000110L157 K161 V194 D227 E228 H259 M266L157-H192 HydrophobicContact CD1-CB 4.49Å; K161-H192 WeakPolarHBondContact CE-CE1 3.2Å; K161-H192 PolarHBondContact NZ-CE1 3.38Å; K161-H192 PolarHBondContact NZ-NE2 2.9Å; H192-V194 PolarHBondContact O-N 3.28Å; H192-D227 PolarHBondContact N-OD1 2.95Å; H192-E228 HydrophobicContact CB-CG 3.88Å; H192-E228 WeakPolarHBondContact CB-OE1 3.39Å; H192-E228 IonicContact CD2-OE1 3.27Å; H192-E228 PolarHBondContact CD2-OE1 3.03Å; H192-E228 IonicContact CG-OE1 3.18Å; H192-E228 VanDerWaalsContact CG-OE1 3.27Å; H192-E228 IonicContact NE2-OE1 3.56Å; H192-H259 PolarHBondContact O-CE1 2.81Å; H192-M266 HydrophobicContact CB-CE 4.38Å; H192-M266 WeakPolarHBondContact ND1-CE 3.3Å
193P90.7Very high84.9Confident0 Ų045.5 Ų45.50%022%0.218CC..  trans-62.2123.8-179.627.7-40.4000112.5V112 S116 I118 T153 L157 V225 M226V112-P193 HydrophobicContact CG1-CB 4.17Å; V112-P193 HydrophobicContact CG1-CG 4.06Å; S116-P193 WeakPolarHBondContact OG-CG 3.27Å; I118-P193 HydrophobicContact CD1-CG 3.61Å; I118-P193 HydrophobicContact CG1-CG 3.84Å; T153-P193 WeakPolarHBondContact CG2-O 3.21Å; L157-P193 WeakPolarHBondContact CD1-O 3.12Å; L157-P193 HydrophobicContact CD2-CG 4.17Å; P193-V225 HydrophobicContact CB-CG1 3.63Å; P193-M226 WeakPolarHBondContact CA-O 2.92Å
194V90.8Very high85.1Confident8 Ų843.8 Ų43.85%0.04822%0.219CC..EExtended strand (participates in β ladder)trans-108.7127.3172.2-179.20000108.9L157 H192 V225 M226 H259 V262L157-V194 HydrophobicContact CD1-CG2 4.48Å; H192-V194 PolarHBondContact O-N 3.28Å; V194-V225 WeakPolarHBondContact O-CA 3.39Å; V194-M226 PolarHBondContact N-O 3.39Å; V194-M226 PolarHBondContact O-N 2.9Å; V194-M226 VanDerWaalsContact O-N 3.08Å; V194-H259 HydrophobicContact CB-CB 4.34Å; V194-H259 WeakPolarHBondContact CB-ND1 3.28Å; V194-H259 WeakPolarHBondContact CG2-ND1 3.41Å; V194-V262 HydrophobicContact CG1-CB 4.1Å; V194-V262 HydrophobicContact CG1-CG1 3.94Å; V194-V262 HydrophobicContact CG1-CG2 4.22Å; V194-V262 HydrophobicContact CG2-CB 4.37Å; V194-V262 HydrophobicContact CG2-CG1 4Å
195A92.8Very high85.3Confident4 Ų440.8 Ų40.83%0.03321%0.208CC..EExtended strand (participates in β ladder)trans-84.1142.9171.700000110.7D150 T153 T223 V225D150-A195 VanDerWaalsContact CG-O 3.26Å; D150-A195 VanDerWaalsContact OD1-C 3.28Å; T153-A195 HydrophobicContact CG2-CB 4.04Å; T153-A195 WeakPolarHBondContact OG1-CB 3.42Å; A195-T223 HydrophobicContact CB-CG2 4.15Å; A195-V225 HydrophobicContact CB-CG2 3.72Å
196T93.2Very high85.7Confident1 Ų138.9 Ų38.91%0.00619%0.192CC..EExtended strand (participates in β ladder)trans-136.3120.9175.550.90000109.7D150 T223 I224 A255 R258D150-T196 VanDerWaalsContact OD1-C 3.3Å; D150-T196 WeakPolarHBondContact OD1-CA 3.46Å; D150-T196 PolarHBondContact OD1-N 3.11Å; D150-T196 VanDerWaalsContact OD2-CA 3.23Å; D150-T196 WeakPolarHBondContact OD2-CA 3.41Å; T196-T223 WeakPolarHBondContact O-CA 3.28Å; T196-I224 PolarHBondContact N-O 3.24Å; T196-I224 PolarHBondContact O-N 2.99Å; T196-I224 PolarHBondContact OG1-O 2.9Å; T196-A255 HydrophobicContact CG2-CB 4.13Å; T196-A255 WeakPolarHBondContact OG1-CB 3.1Å; T196-R258 HydrophobicContact CG2-CB 3.89Å; T196-R258 HydrophobicContact CG2-CG 3.75Å
197S93.3Very high86Confident7 Ų732.5 Ų32.55%0.04917%0.167CC..EExtended strand (participates in β ladder)trans-103.6138.8-177.5-61.20000111.9N147 D150 D209 L222 T223N147-S197 WeakPolarHBondContact OD1-CB 3.31Å; N147-S197 PolarHBondContact OD1-OG 2.9Å; N147-S197 VanDerWaalsContact OD1-OG 3.11Å; D150-S197 VanDerWaalsContact CG-N 3.29Å; D150-S197 WeakPolarHBondContact OD1-CB 3.49Å; D150-S197 PolarHBondContact OD1-N 2.82Å; D150-S197 PolarHBondContact OD1-OG 3.29Å; D150-S197 PolarHBondContact OD2-N 3.46Å; S197-D209 PolarHBondContact O-N 2.92Å; S197-L222 CarbonylContact C-O 3.56Å; S197-L222 WeakPolarHBondContact CA-O 2.9Å; S197-T223 WeakPolarHBondContact OG-CG2 3.37Å; S197-T223 PolarHBondContact OG-OG1 2.94Å
198F92.3Very high86.4Confident0 Ų031.6 Ų31.60%016%0.163CC..EExtended strand (participates in β ladder)trans-125.9139.8-177.6-57.4-84.3000108.7L206 I207 V208 T221 L222 I224 C251 R254 A255F198-L206 HydrophobicContact CB-CD1 4.45Å; F198-L206 HydrophobicContact CB-CD2 4.21Å; F198-L206 HydrophobicContact CB-CG 4.33Å; F198-L206 HydrophobicContact CD1-CD2 3.47Å; F198-L206 VanDerWaalsContact CD1-CD2 3.47Å; F198-L206 HydrophobicContact CD1-CG 4.45Å; F198-L206 HydrophobicContact CE1-CD2 4.2Å; F198-L206 HydrophobicContact CG-CD2 4.19Å; F198-I207 CarbonylContact C-O 3.47Å; F198-I207 VanDerWaalsContact CA-O 3.26Å; F198-I207 WeakPolarHBondContact CA-O 3.3Å; F198-V208 HydrophobicContact CD1-CB 4.23Å; F198-V208 HydrophobicContact CD1-CG1 4.07Å; F198-V208 HydrophobicContact CD1-CG2 3.74Å; F198-V208 HydrophobicContact CE1-CB 4.29Å; F198-V208 HydrophobicContact CE1-CG1 3.84Å; F198-V208 HydrophobicContact CE1-CG2 3.65Å; F198-T221 CarbonylContact O-C 3.57Å; F198-T221 WeakPolarHBondContact O-CA 3.41Å; F198-L222 HydrophobicContact CB-CB 4.31Å; F198-L222 HydrophobicContact CD2-CD2 4.44Å; F198-L222 PolarHBondContact N-O 3.46Å; F198-L222 PolarHBondContact O-N 2.96Å; F198-I224 HydrophobicContact CD2-CD1 4.26Å; F198-I224 HydrophobicContact CD2-CG1 4.27Å; F198-I224 HydrophobicContact CE2-CB 4.33Å; F198-I224 HydrophobicContact CE2-CD1 3.86Å; F198-I224 HydrophobicContact CE2-CG1 4.05Å; F198-C251 HydrophobicContact CD2-CB 4.27Å; F198-C251 HydrophobicContact CE1-CB 4.35Å; F198-C251 HydrophobicContact CE2-CB 4.01Å; F198-C251 HydrophobicContact CZ-CB 4.04Å; F198-C251 VanDerWaalsContact CZ-O 3.31Å; F198-C251 WeakPolarHBondContact CZ-O 3.41Å; F198-R254 HydrophobicContact CE1-CB 4.33Å; F198-R254 HydrophobicContact CZ-CB 4.45Å; F198-A255 HydrophobicContact CE2-CB 4.21Å; F198-A255 HydrophobicContact CZ-CB 3.98Å
199A91.1Very high87Confident0 Ų025.7 Ų25.70%013%0.131CC..EExtended strand (participates in β ladder)trans-115138.6169.700000110.4F201 L206 I207 P210 A218A199-F201 HydrophobicContact CB-CE2 4.3Å; A199-L206 WeakPolarHBondContact O-CA 3.36Å; A199-I207 HydrophobicContact CB-CD1 4.03Å; A199-I207 HydrophobicContact CB-CG1 3.69Å; A199-I207 PolarHBondContact N-O 2.93Å; A199-I207 WeakPolarHBondContact O-CG1 3.42Å; A199-I207 PolarHBondContact O-N 3.32Å; A199-P210 HydrophobicContact CB-CB 3.67Å; A199-P210 HydrophobicContact CB-CG 3.96Å; A199-A218 HydrophobicContact CB-CB 3.86Å
200V89.1Confident87.3Confident9 Ų925.2 Ų25.26%0.05513%0.129CC..EExtended strand (participates in β ladder)trans-106.9128.2-177.8-175.50000109.4L205 L206 T219 G220 S241 L243V200-L205 WeakPolarHBondContact CA-O 3.45Å; V200-L206 HydrophobicContact CG2-CD1 4.23Å; V200-T219 PolarHBondContact O-N 2.62Å; V200-T219 PolarHBondContact O-OG1 3.39Å; V200-G220 PolarHBondContact N-O 2.99Å; V200-G220 PolarHBondContact O-N 2.87Å; V200-S241 WeakPolarHBondContact CG1-OG 3.45Å; V200-L243 HydrophobicContact CG2-CD1 4.43Å
201F85.6Confident87.7Confident8 Ų818.9 Ų18.94%0.03511%0.107CC..EExtended strand (participates in β ladder)trans-114.2131.4175.9-74.7-87.8000110.3L18 A199 D203 T204 L205 I207 E214 L217 A218L18-F201 HydrophobicContact CD1-CB 4.05Å; L18-F201 HydrophobicContact CD1-CD1 3.86Å; L18-F201 HydrophobicContact CD1-CD2 3.9Å; L18-F201 HydrophobicContact CD1-CE1 4.26Å; L18-F201 HydrophobicContact CD1-CE2 4.31Å; L18-F201 HydrophobicContact CD1-CG 3.65Å; L18-F201 HydrophobicContact CD1-CZ 4.46Å; A199-F201 HydrophobicContact CB-CE2 4.3Å; F201-D203 PolarHBondContact O-N 2.85Å; F201-D203 VanDerWaalsContact O-N 3.07Å; F201-T204 PolarHBondContact O-N 3.01Å; F201-T204 VanDerWaalsContact O-N 3.16Å; F201-L205 HydrophobicContact CB-CB 4.2Å; F201-L205 PolarHBondContact N-O 3.47Å; F201-L205 PolarHBondContact O-N 3.4Å; F201-I207 HydrophobicContact CD2-CD1 4.31Å; F201-I207 HydrophobicContact CD2-CG1 4.11Å; F201-I207 HydrophobicContact CD2-CG2 4.43Å; F201-I207 HydrophobicContact CE2-CD1 3.51Å; F201-I207 HydrophobicContact CE2-CG1 3.77Å; F201-I207 HydrophobicContact CZ-CD1 4.4Å; F201-E214 HydrophobicContact CE2-CB 4.37Å; F201-E214 HydrophobicContact CZ-CB 3.98Å; F201-E214 HydrophobicContact CZ-CG 4.44Å; F201-E214 VanDerWaalsContact CZ-O 3.24Å; F201-E214 WeakPolarHBondContact CZ-O 3.24Å; F201-L217 HydrophobicContact CE1-CB 3.99Å; F201-A218 HydrophobicContact CE1-CB 4.5Å; F201-A218 HydrophobicContact CE2-CB 4.38Å; F201-A218 HydrophobicContact CZ-CB 4.19Å
202D77.3Confident87.9Confident55 Ų5518.2 Ų18.229%0.29411%0.105SC..THydrogen-bonded Turntrans47.540.7172.5-60.5-34.4000113.6R15 T204R15-D202 WeakPolarHBondContact CG-OD2 3.39Å; R15-D202 IonicContact CZ-OD1 3.18Å; R15-D202 IonicContact CZ-OD2 2.72Å; R15-D202 IonicContact NE-OD1 3.97Å; R15-D202 PolarHBondContact NE-OD1 3.25Å; R15-D202 IonicContact NE-OD2 3.2Å; R15-D202 PolarHBondContact NE-OD2 2.87Å; R15-D202 IonicContact NH2-OD1 2.78Å; R15-D202 PolarHBondContact NH2-OD1 3.46Å; R15-D202 IonicContact NH2-OD2 3.28Å; D202-T204 WeakPolarHBondContact O-CB 3.26Å; D202-T204 PolarHBondContact O-N 2.8Å; D202-T204 PolarHBondContact O-OG1 2.84Å
203D72.5Confident87.8Confident94 Ų9421.7 Ų21.750%0.50312%0.121SC..THydrogen-bonded Turntrans57.3-9.4-178.2-52.9-34.2000116.3F201 S241 K247F201-D203 PolarHBondContact O-N 2.85Å; F201-D203 VanDerWaalsContact O-N 3.07Å; D203-S241 WeakPolarHBondContact OD1-CB 3.47Å; D203-K247 PolarHBondContact O-NZ 2.92Å
204T77Confident87.7Confident91 Ų9121.8 Ų21.856%0.55812%0.121SC*.THydrogen-bonded Turntrans-112-46.2-164.647.20000111.2F201 D202 K247F201-T204 PolarHBondContact O-N 3.01Å; F201-T204 VanDerWaalsContact O-N 3.16Å; D202-T204 WeakPolarHBondContact O-CB 3.26Å; D202-T204 PolarHBondContact O-N 2.8Å; D202-T204 PolarHBondContact O-OG1 2.84Å; T204-K247 VanDerWaalsContact C-NZ 3.32Å; T204-K247 PolarHBondContact O-NZ 3.44Å
205L83.5Confident87.5Confident42 Ų4223.6 Ų23.622%0.2213%0.13CC..EExtended strand (participates in β ladder)trans-97.8138.9-171.8-60.9174.9000110.5L18 V200 F201L18-L205 HydrophobicContact CB-CD1 3.76Å; V200-L205 WeakPolarHBondContact CA-O 3.45Å; F201-L205 HydrophobicContact CB-CB 4.2Å; F201-L205 PolarHBondContact N-O 3.47Å; F201-L205 PolarHBondContact O-N 3.4Å
206L87.1Confident87.3Confident18 Ų1829.7 Ų29.79%0.09416%0.157CC..EExtended strand (participates in β ladder)trans-128.6123.7-179.2-172.5141.9000108.8F198 A199 V200 V208 L243 C251F198-L206 HydrophobicContact CB-CD1 4.45Å; F198-L206 HydrophobicContact CB-CD2 4.21Å; F198-L206 HydrophobicContact CB-CG 4.33Å; F198-L206 HydrophobicContact CD1-CD2 3.47Å; F198-L206 VanDerWaalsContact CD1-CD2 3.47Å; F198-L206 HydrophobicContact CD1-CG 4.45Å; F198-L206 HydrophobicContact CE1-CD2 4.2Å; F198-L206 HydrophobicContact CG-CD2 4.19Å; A199-L206 WeakPolarHBondContact O-CA 3.36Å; V200-L206 HydrophobicContact CG2-CD1 4.23Å; L206-V208 HydrophobicContact CD2-CG2 4.42Å; L206-L243 HydrophobicContact CD1-CD1 4.4Å; L206-C251 WeakPolarHBondContact CD1-SG 3.27Å
207I89.9Confident87.1Confident0 Ų030.9 Ų30.90%016%0.163CC..EExtended strand (participates in β ladder)trans-109.9150.5174.763.7159.5000109.9L18 L29 F198 A199 F201 P210 E214L18-I207 HydrophobicContact CD2-CG2 3.73Å; L29-I207 HydrophobicContact CD2-CG2 3.71Å; F198-I207 CarbonylContact C-O 3.47Å; F198-I207 VanDerWaalsContact CA-O 3.26Å; F198-I207 WeakPolarHBondContact CA-O 3.3Å; A199-I207 HydrophobicContact CB-CD1 4.03Å; A199-I207 HydrophobicContact CB-CG1 3.69Å; A199-I207 PolarHBondContact N-O 2.93Å; A199-I207 WeakPolarHBondContact O-CG1 3.42Å; A199-I207 PolarHBondContact O-N 3.32Å; F201-I207 HydrophobicContact CD2-CD1 4.31Å; F201-I207 HydrophobicContact CD2-CG1 4.11Å; F201-I207 HydrophobicContact CD2-CG2 4.43Å; F201-I207 HydrophobicContact CE2-CD1 3.51Å; F201-I207 HydrophobicContact CE2-CG1 3.77Å; F201-I207 HydrophobicContact CZ-CD1 4.4Å; I207-P210 HydrophobicContact CD1-CB 3.9Å; I207-E214 HydrophobicContact CD1-CB 3.85Å; I207-E214 HydrophobicContact CD1-CG 4.11Å; I207-E214 WeakPolarHBondContact CD1-OE2 2.89Å
208V90.4Very high86.8Confident1 Ų131.6 Ų31.61%0.00617%0.169CC..EExtended strand (participates in β ladder)trans-106.1142.5176.9-166.30000108.8R23 L29 F32 F198 L206R23-V208 PolarHBondContact NH1-O 2.9Å; L29-V208 PolarHBondContact O-N 3.37Å; F32-V208 HydrophobicContact CD1-CG1 4.13Å; F32-V208 HydrophobicContact CD2-CG1 4.39Å; F32-V208 HydrophobicContact CE1-CG1 3.36Å; F32-V208 HydrophobicContact CE2-CG1 3.66Å; F32-V208 HydrophobicContact CZ-CB 4.39Å; F32-V208 HydrophobicContact CZ-CG1 3.09Å; F198-V208 HydrophobicContact CD1-CB 4.23Å; F198-V208 HydrophobicContact CD1-CG1 4.07Å; F198-V208 HydrophobicContact CD1-CG2 3.74Å; F198-V208 HydrophobicContact CE1-CB 4.29Å; F198-V208 HydrophobicContact CE1-CG1 3.84Å; F198-V208 HydrophobicContact CE1-CG2 3.65Å; L206-V208 HydrophobicContact CD2-CG2 4.42Å
209D90.3Very high86.6Confident0 Ų034.3 Ų34.30%019%0.186CC..SBendtrans52.969.9-179.3177.539.4000112R23 R27 F32 R33 N147 S197R23-D209 PolarHBondContact NH2-O 2.82Å; R27-D209 IonicContact NH1-OD2 3.66Å; F32-D209 HydrophobicContact CD1-CB 3.8Å; F32-D209 HydrophobicContact CE1-CB 4.3Å; R33-D209 WeakPolarHBondContact CB-OD2 3.21Å; R33-D209 VanDerWaalsContact CG-OD2 3.28Å; R33-D209 WeakPolarHBondContact CG-OD2 3.26Å; R33-D209 IonicContact CZ-OD1 3.61Å; R33-D209 IonicContact CZ-OD2 2.99Å; R33-D209 PolarHBondContact N-OD2 2.84Å; R33-D209 IonicContact NE-OD1 3.39Å; R33-D209 PolarHBondContact NE-OD1 2.86Å; R33-D209 IonicContact NE-OD2 2.68Å; R33-D209 PolarHBondContact NE-OD2 2.85Å; R33-D209 IonicContact NH2-OD1 3.58Å; R33-D209 PolarHBondContact NH2-OD1 2.82Å; R33-D209 IonicContact NH2-OD2 3.3Å; N147-D209 VanDerWaalsContact CB-OD1 3.29Å; N147-D209 WeakPolarHBondContact CB-OD1 3.25Å; N147-D209 PolarHBondContact ND2-OD1 2.9Å; S197-D209 PolarHBondContact O-N 2.92Å
210P90.4Very high86.5Confident2 Ų234.7 Ų34.71%0.01319%0.19CC..  trans-67.2140.2-17829.6-35.7000111.7R33 N147 A199 I207 E214 E215R33-P210 VanDerWaalsContact NH2-C 3.34Å; R33-P210 PolarHBondContact NH2-O 2.93Å; N147-P210 PolarHBondContact N-O 2.74Å; A199-P210 HydrophobicContact CB-CB 3.67Å; A199-P210 HydrophobicContact CB-CG 3.96Å; I207-P210 HydrophobicContact CD1-CB 3.9Å; P210-E214 WeakPolarHBondContact CA-OE2 3.35Å; P210-E214 HydrophobicContact CB-CB 4.2Å; P210-E215 HydrophobicContact CB-CB 4.31Å
211T90.1Very high86.6Confident14 Ų1435.9 Ų35.99%0.08620%0.197CC..  trans-73.6166.3168.869.40000111D145 E213 E214 E215D145-T211 CarbonylContact O-C 3.56Å; D145-T211 WeakPolarHBondContact O-CA 3.33Å; T211-E213 PolarHBondContact O-N 2.83Å; T211-E214 PolarHBondContact N-OE2 2.86Å; T211-E214 PolarHBondContact O-N 2.95Å; T211-E214 WeakPolarHBondContact OG1-CG 3.39Å; T211-E214 PolarHBondContact OG1-N 3.08Å; T211-E215 WeakPolarHBondContact O-CB 3.16Å; T211-E215 PolarHBondContact O-N 3.49Å
212G88.6Confident86.9Confident12 Ų1235.7 Ų35.712%0.12420%0.197CC..Hα-helixtrans-61-33.4-178.300000113.2D145 H216D145-G212 PolarHBondContact O-N 2.98Å; G212-H216 WeakPolarHBondContact O-CB 3.49Å; G212-H216 PolarHBondContact O-N 2.97Å
213E87.8Confident87.7Confident90 Ų9033.2 Ų33.242%0.42118%0.184SC..Hα-helixtrans-70-44.3172.3-71.9-177110.100111.8K6 Y14 T211 H216 L217K6-E213 WeakPolarHBondContact CE-OE1 3.36Å; K6-E213 WeakPolarHBondContact CE-OE2 3.42Å; K6-E213 IonicContact NZ-OE1 3.41Å; K6-E213 PolarHBondContact NZ-OE1 2.95Å; K6-E213 IonicContact NZ-OE2 2.62Å; K6-E213 PolarHBondContact NZ-OE2 3.26Å; Y14-E213 PolarHBondContact OH-OE2 3Å; T211-E213 PolarHBondContact O-N 2.83Å; E213-H216 PolarHBondContact O-N 2.99Å; E213-L217 WeakPolarHBondContact O-CG 3.03Å; E213-L217 PolarHBondContact O-N 3.31Å
214E88Confident88.7Confident1 Ų128.8 Ų28.81%0.00516%0.16CC..Hα-helixtrans-65-41.7179.5-71.3168.7169.400111.7Y14 R23 F201 I207 P210 T211 H216 L217 A218Y14-E214 HydrophobicContact CD1-CG 3.86Å; Y14-E214 HydrophobicContact CE1-CG 3.35Å; R23-E214 IonicContact CZ-OE1 2.94Å; R23-E214 IonicContact CZ-OE2 2.95Å; R23-E214 IonicContact NE-OE1 2.66Å; R23-E214 PolarHBondContact NE-OE1 3.22Å; R23-E214 IonicContact NE-OE2 2.8Å; R23-E214 IonicContact NH2-OE1 2.77Å; R23-E214 PolarHBondContact NH2-OE1 3.17Å; R23-E214 IonicContact NH2-OE2 3.32Å; R23-E214 PolarHBondContact NH2-OE2 3.32Å; F201-E214 HydrophobicContact CE2-CB 4.37Å; F201-E214 HydrophobicContact CZ-CB 3.98Å; F201-E214 HydrophobicContact CZ-CG 4.44Å; F201-E214 VanDerWaalsContact CZ-O 3.24Å; F201-E214 WeakPolarHBondContact CZ-O 3.24Å; I207-E214 HydrophobicContact CD1-CB 3.85Å; I207-E214 HydrophobicContact CD1-CG 4.11Å; I207-E214 WeakPolarHBondContact CD1-OE2 2.89Å; P210-E214 WeakPolarHBondContact CA-OE2 3.35Å; P210-E214 HydrophobicContact CB-CB 4.2Å; T211-E214 PolarHBondContact N-OE2 2.86Å; T211-E214 PolarHBondContact O-N 2.95Å; T211-E214 WeakPolarHBondContact OG1-CG 3.39Å; T211-E214 PolarHBondContact OG1-N 3.08Å; E214-H216 VanDerWaalsContact C-N 3.29Å; E214-H216 PolarHBondContact O-N 3.05Å; E214-L217 CarbonylContact O-C 3.58Å; E214-L217 PolarHBondContact O-N 2.73Å; E214-A218 VanDerWaalsContact O-CB 3.3Å; E214-A218 WeakPolarHBondContact O-CB 3.47Å; E214-A218 PolarHBondContact O-N 2.76Å
215E88.4Confident89.5Confident47 Ų4724.4 Ų24.422%0.2213%0.133CC..Hα-helixtrans-61.4-38.9176.3-174.8163.7-166.500111.6G146 N147 P210 T211 A218 T221G146-E215 WeakPolarHBondContact CA-OE2 3.31Å; N147-E215 PolarHBondContact N-OE2 2.95Å; P210-E215 HydrophobicContact CB-CB 4.31Å; T211-E215 WeakPolarHBondContact O-CB 3.16Å; T211-E215 PolarHBondContact O-N 3.49Å; E215-A218 PolarHBondContact O-N 3.37Å; E215-T221 HydrophobicContact CG-CG2 4.15Å
216H88.1Confident89.8Confident131 Ų13122.7 Ų22.761%0.60612%0.124SC*.Hα-helixtrans-67.2-35.1175.3-17758.3000113.3G212 E213 E214G212-H216 WeakPolarHBondContact O-CB 3.49Å; G212-H216 PolarHBondContact O-N 2.97Å; E213-H216 PolarHBondContact O-N 2.99Å; E214-H216 VanDerWaalsContact C-N 3.29Å; E214-H216 PolarHBondContact O-N 3.05Å
217L87.6Confident89.9Confident26 Ų2622.5 Ų22.514%0.13612%0.123CC..Hα-helixtrans-87.4-11.4-179.2-62.3169.8000112.8P10 L11 Y14 F201 E213 E214P10-L217 HydrophobicContact CB-CD1 4.12Å; P10-L217 HydrophobicContact CB-CD2 4.19Å; P10-L217 HydrophobicContact CG-CD2 4.19Å; L11-L217 HydrophobicContact CD2-CB 3.89Å; L11-L217 HydrophobicContact CD2-CD2 3.51Å; L11-L217 HydrophobicContact CD2-CG 4.21Å; L11-L217 HydrophobicContact CG-CD2 3.81Å; Y14-L217 HydrophobicContact CD2-CD1 3.64Å; Y14-L217 HydrophobicContact CE2-CD1 3.95Å; Y14-L217 HydrophobicContact CG-CD1 4.05Å; F201-L217 HydrophobicContact CE1-CB 3.99Å; E213-L217 WeakPolarHBondContact O-CG 3.03Å; E213-L217 PolarHBondContact O-N 3.31Å; E214-L217 CarbonylContact O-C 3.58Å; E214-L217 PolarHBondContact O-N 2.73Å
218A87.9Confident89.5Confident22 Ų2225.9 Ų25.918%0.18214%0.139CC..  trans-68.9147.2-175.600000112A199 F201 E214 E215 G220A199-A218 HydrophobicContact CB-CB 3.86Å; F201-A218 HydrophobicContact CE1-CB 4.5Å; F201-A218 HydrophobicContact CE2-CB 4.38Å; F201-A218 HydrophobicContact CZ-CB 4.19Å; E214-A218 VanDerWaalsContact O-CB 3.3Å; E214-A218 WeakPolarHBondContact O-CB 3.47Å; E214-A218 PolarHBondContact O-N 2.76Å; E215-A218 PolarHBondContact O-N 3.37Å; A218-G220 VanDerWaalsContact C-N 3.34Å
219T88.4Confident89.2Confident57 Ų5732.4 Ų32.435%0.3517%0.169SC..SBendtrans-82.7-16.9175.4600000112.5V200 G240 S241V200-T219 PolarHBondContact O-N 2.62Å; V200-T219 PolarHBondContact O-OG1 3.39Å; T219-G240 WeakPolarHBondContact O-CA 3.3Å; T219-S241 PolarHBondContact O-N 2.84Å; T219-S241 PolarHBondContact OG1-OG 2.98Å
220G88.9Confident88.7Confident9 Ų934.3 Ų34.39%0.09319%0.19CC..EExtended strand (participates in β ladder)trans-170.4151.6176.900000111.4V200 A218V200-G220 PolarHBondContact N-O 2.99Å; V200-G220 PolarHBondContact O-N 2.87Å; A218-G220 VanDerWaalsContact C-N 3.34Å
221T90.9Very high88.5Confident33 Ų3340 Ų4020%0.20221%0.214CC..EExtended strand (participates in β ladder)trans-116.5149.2174.251.90000109.8F198 E215 P238F198-T221 CarbonylContact O-C 3.57Å; F198-T221 WeakPolarHBondContact O-CA 3.41Å; E215-T221 HydrophobicContact CG-CG2 4.15Å; T221-P238 VanDerWaalsContact OG1-CG 3.31Å; T221-P238 WeakPolarHBondContact OG1-CG 3.41Å
222L92Very high88.5Confident4 Ų443.4 Ų43.42%0.02123%0.231CC..EExtended strand (participates in β ladder)trans-141.9122.2178.217674.3000108.3S197 F198 I224 L235 H236 K237 L243 C251S197-L222 CarbonylContact C-O 3.56Å; S197-L222 WeakPolarHBondContact CA-O 2.9Å; F198-L222 HydrophobicContact CB-CB 4.31Å; F198-L222 HydrophobicContact CD2-CD2 4.44Å; F198-L222 PolarHBondContact N-O 3.46Å; F198-L222 PolarHBondContact O-N 2.96Å; L222-I224 HydrophobicContact CD2-CD1 3.96Å; L222-I224 HydrophobicContact CD2-CG1 4.13Å; L222-I224 HydrophobicContact CG-CD1 4.44Å; L222-I224 HydrophobicContact CG-CG1 4.06Å; L222-L235 HydrophobicContact CD1-CD1 4.29Å; L222-L235 HydrophobicContact CD1-CD2 3.73Å; L222-L235 HydrophobicContact CD1-CG 3.89Å; L222-H236 WeakPolarHBondContact CA-O 3.39Å; L222-K237 HydrophobicContact CD1-CB 4Å; L222-K237 HydrophobicContact CD1-CG 4.39Å; L222-L243 HydrophobicContact CD2-CD2 3.8Å; L222-C251 HydrophobicContact CD2-CB 4.32Å
223T93.4Very high88.4Confident4 Ų443.9 Ų43.93%0.02523%0.233CC..EExtended strand (participates in β ladder)trans-114.8127.3173.5-55.20000109.3F108 L149 A195 T196 S197 H236F108-T223 HydrophobicContact CE1-CG2 4.38Å; F108-T223 HydrophobicContact CE2-CG2 4.32Å; F108-T223 HydrophobicContact CZ-CG2 3.66Å; L149-T223 HydrophobicContact CB-CG2 4.22Å; L149-T223 HydrophobicContact CD1-CG2 4.25Å; L149-T223 WeakPolarHBondContact CD1-OG1 3.42Å; A195-T223 HydrophobicContact CB-CG2 4.15Å; T196-T223 WeakPolarHBondContact O-CA 3.28Å; S197-T223 WeakPolarHBondContact OG-CG2 3.37Å; S197-T223 PolarHBondContact OG-OG1 2.94Å; T223-H236 PolarHBondContact N-O 2.79Å; T223-H236 PolarHBondContact O-N 2.66Å
224I93.8Very high88.5Confident0 Ų040.6 Ų40.60%022%0.219CC..EExtended strand (participates in β ladder)trans-116.2125.5-179.9-54.1-177.8000107.7T196 F198 L222 M226 L232 C251 M252T196-I224 PolarHBondContact N-O 3.24Å; T196-I224 PolarHBondContact O-N 2.99Å; T196-I224 PolarHBondContact OG1-O 2.9Å; F198-I224 HydrophobicContact CD2-CD1 4.26Å; F198-I224 HydrophobicContact CD2-CG1 4.27Å; F198-I224 HydrophobicContact CE2-CB 4.33Å; F198-I224 HydrophobicContact CE2-CD1 3.86Å; F198-I224 HydrophobicContact CE2-CG1 4.05Å; L222-I224 HydrophobicContact CD2-CD1 3.96Å; L222-I224 HydrophobicContact CD2-CG1 4.13Å; L222-I224 HydrophobicContact CG-CD1 4.44Å; L222-I224 HydrophobicContact CG-CG1 4.06Å; I224-M226 HydrophobicContact CG2-CG 3.96Å; I224-M226 HydrophobicContact CG2-SD 4.31Å; I224-L232 HydrophobicContact CG2-CD1 3.47Å; I224-L232 VanDerWaalsContact CG2-CD1 3.47Å; I224-C251 HydrophobicContact CD1-CB 3.53Å; I224-M252 HydrophobicContact CD1-CG 4.09Å
225V93.6Very high88.7Confident0 Ų043.9 Ų43.90%024%0.237CC..EExtended strand (participates in β ladder)trans-109.5124.8175.2-173.90000109.4F108 V112 P193 V194 A195 C233 C234F108-V225 HydrophobicContact CE1-CG2 4.37Å; F108-V225 HydrophobicContact CE2-CG2 4.19Å; F108-V225 HydrophobicContact CZ-CG2 3.51Å; V112-V225 HydrophobicContact CG1-CG1 4.15Å; V112-V225 HydrophobicContact CG2-CB 4.48Å; V112-V225 HydrophobicContact CG2-CG1 4.29Å; V112-V225 HydrophobicContact CG2-CG2 3.89Å; P193-V225 HydrophobicContact CB-CG1 3.63Å; V194-V225 WeakPolarHBondContact O-CA 3.39Å; A195-V225 HydrophobicContact CB-CG2 3.72Å; V225-C233 HydrophobicContact CB-CB 4.35Å; V225-C233 HydrophobicContact CG1-CB 4.11Å; V225-C233 PolarHBondContact O-N 2.91Å; V225-C234 VanDerWaalsContact CB-SG 3.5Å; V225-C234 WeakPolarHBondContact CG2-SG 3.49Å; V225-C234 PolarHBondContact N-O 3.07Å; V225-C234 PolarHBondContact O-N 3.02Å
226M91.3Very high88.9Confident5 Ų544 Ų443%0.02524%0.237CC..EExtended strand (participates in β ladder)trans-128.6145.9179.8-65.5-172.7-57.400112.1P193 V194 I224 K231 L232 A255 V256 H259P193-M226 WeakPolarHBondContact CA-O 2.92Å; V194-M226 PolarHBondContact N-O 3.39Å; V194-M226 PolarHBondContact O-N 2.9Å; V194-M226 VanDerWaalsContact O-N 3.08Å; I224-M226 HydrophobicContact CG2-CG 3.96Å; I224-M226 HydrophobicContact CG2-SD 4.31Å; M226-K231 WeakPolarHBondContact CA-O 3.25Å; M226-L232 HydrophobicContact CG-CD1 4.34Å; M226-A255 HydrophobicContact CE-CB 3.13Å; M226-A255 HydrophobicContact SD-CB 4.36Å; M226-V256 HydrophobicContact CE-CB 4.09Å; M226-V256 HydrophobicContact CE-CG2 3.43Å; M226-V256 VanDerWaalsContact CE-CG2 3.43Å; M226-V256 HydrophobicContact SD-CG2 3.71Å; M226-H259 PolarHBondContact O-CE1 3.41Å; M226-H259 VanDerWaalsContact O-CE1 3.26Å; M226-H259 PolarHBondContact O-ND1 3.43Å
227D88.4Confident89Confident14 Ų1441.6 Ų41.68%0.07523%0.225CC..  trans-87.7172.5174.4-163.417.4000112T191 H192 E229 G230 K231 H259T191-D227 WeakPolarHBondContact CB-OD1 3.34Å; T191-D227 VanDerWaalsContact CG2-OD2 3.27Å; T191-D227 WeakPolarHBondContact CG2-OD2 3.44Å; H192-D227 PolarHBondContact N-OD1 2.95Å; D227-E229 PolarHBondContact O-N 2.77Å; D227-G230 PolarHBondContact O-N 3.31Å; D227-K231 HydrophobicContact CB-CB 4.43Å; D227-K231 PolarHBondContact N-O 3.09Å; D227-H259 VanDerWaalsContact C-CE1 3.48Å
228E82.1Confident88.9Confident71 Ų7144.4 Ų44.433%0.33225%0.245SC..THydrogen-bonded Turntrans-60.6-31.2-176.3-50.7-165.3140.800113.6H192 G230 H259 K263H192-E228 HydrophobicContact CB-CG 3.88Å; H192-E228 WeakPolarHBondContact CB-OE1 3.39Å; H192-E228 IonicContact CD2-OE1 3.27Å; H192-E228 PolarHBondContact CD2-OE1 3.03Å; H192-E228 IonicContact CG-OE1 3.18Å; H192-E228 VanDerWaalsContact CG-OE1 3.27Å; H192-E228 IonicContact NE2-OE1 3.56Å; E228-G230 PolarHBondContact O-N 3.03Å; E228-H259 WeakPolarHBondContact CA-NE2 3.32Å; E228-K263 WeakPolarHBondContact OE1-CE 3.44Å; E228-K263 IonicContact OE1-NZ 2.98Å; E228-K263 PolarHBondContact OE1-NZ 2.8Å; E228-K263 IonicContact OE2-NZ 3.84Å; E228-K263 PolarHBondContact OE2-NZ 2.94Å
229E82.9Confident88.6Confident138 Ų13845.1 Ų45.165%0.64525%0.254SS*.THydrogen-bonded Turntrans-80.63.4177.2-60.6-174.7109.300112.7D227 K231D227-E229 PolarHBondContact O-N 2.77Å; E229-K231 HydrophobicContact CB-CD 4.36Å; E229-K231 HydrophobicContact CB-CG 4.26Å; E229-K231 PolarHBondContact O-N 3.45Å; E229-K231 VanDerWaalsContact OE2-CE 3.3Å; E229-K231 WeakPolarHBondContact OE2-CE 3.36Å; E229-K231 IonicContact OE2-NZ 3.76Å; E229-K231 PolarHBondContact OE2-NZ 3.16Å
230G79.5Confident88.3Confident41 Ų4145.1 Ų45.142%0.42327%0.265SS..SBendtrans72.716.8-174.600000113.3D227 E228D227-G230 PolarHBondContact O-N 3.31Å; E228-G230 PolarHBondContact O-N 3.03Å
231K87.4Confident88Confident120 Ų12045.4 Ų45.452%0.52227%0.266SS..  trans-75.2134172.9-69.5173.9-179.6162.60109.4M226 D227 E229 C233M226-K231 WeakPolarHBondContact CA-O 3.25Å; D227-K231 HydrophobicContact CB-CB 4.43Å; D227-K231 PolarHBondContact N-O 3.09Å; E229-K231 HydrophobicContact CB-CD 4.36Å; E229-K231 HydrophobicContact CB-CG 4.26Å; E229-K231 PolarHBondContact O-N 3.45Å; E229-K231 VanDerWaalsContact OE2-CE 3.3Å; E229-K231 WeakPolarHBondContact OE2-CE 3.36Å; E229-K231 IonicContact OE2-NZ 3.76Å; E229-K231 PolarHBondContact OE2-NZ 3.16Å; K231-C233 PolarHBondContact O-N 2.75Å
232L89.9Confident87.5Confident86 Ų8646.8 Ų46.845%0.4529%0.286SS..EExtended strand (participates in β ladder)trans-74.9114.7173.6-177.570.5000108.9I224 M226 L235I224-L232 HydrophobicContact CG2-CD1 3.47Å; I224-L232 VanDerWaalsContact CG2-CD1 3.47Å; M226-L232 HydrophobicContact CG-CD1 4.34Å; L232-L235 HydrophobicContact CD2-CB 4.45Å
233C87.3Confident87.1Confident23 Ų2348.6 Ų48.616%0.15530%0.296CS..EExtended strand (participates in β ladder)trans-82.8-52.7175.7-67.60000110.7V225 K231V225-C233 HydrophobicContact CB-CB 4.35Å; V225-C233 HydrophobicContact CG1-CB 4.11Å; V225-C233 PolarHBondContact O-N 2.91Å; K231-C233 PolarHBondContact O-N 2.75Å
234C89.6Confident86.8Confident20 Ų2052.7 Ų52.714%0.13532%0.321CS..EExtended strand (participates in β ladder)trans-149.4153.6175.7720000111.6V112 V225V112-C234 VanDerWaalsContact CG2-SG 3.58Å; V225-C234 VanDerWaalsContact CB-SG 3.5Å; V225-C234 WeakPolarHBondContact CG2-SG 3.49Å; V225-C234 PolarHBondContact N-O 3.07Å; V225-C234 PolarHBondContact O-N 3.02Å
235L92.2Very high86.5Confident71 Ų7155 Ų5537%0.37235%0.345SS..EExtended strand (participates in β ladder)trans-126.7118172.3-177153.8000107L222 L232 K237 L248L222-L235 HydrophobicContact CD1-CD1 4.29Å; L222-L235 HydrophobicContact CD1-CD2 3.73Å; L222-L235 HydrophobicContact CD1-CG 3.89Å; L232-L235 HydrophobicContact CD2-CB 4.45Å; L235-K237 HydrophobicContact CD2-CB 4.18Å; L235-L248 HydrophobicContact CD1-CD1 4.13Å; L235-L248 HydrophobicContact CD1-CD2 4.34Å; L235-L248 HydrophobicContact CD1-CG 4.45Å
236H91.3Very high86.2Confident49 Ų4958.5 Ų58.523%0.22737%0.374CS..EExtended strand (participates in β ladder)trans-110.5116.6179.2-176.673.5000109.5F108 L222 T223F108-H236 HydrophobicContact CD2-CB 3.84Å; F108-H236 HydrophobicContact CE2-CB 3.61Å; L222-H236 WeakPolarHBondContact CA-O 3.39Å; T223-H236 PolarHBondContact N-O 2.79Å; T223-H236 PolarHBondContact O-N 2.66Å
237K90.7Very high86Confident81 Ų8161 Ų6135%0.35239%0.385SS..  trans-130.795.5174.5-172.5-175.4-170.9-63.20107.9L222 L235 G239 G240 S241L222-K237 HydrophobicContact CD1-CB 4Å; L222-K237 HydrophobicContact CD1-CG 4.39Å; L235-K237 HydrophobicContact CD2-CB 4.18Å; K237-G239 PolarHBondContact NZ-O 3.16Å; K237-G239 PolarHBondContact O-N 3.28Å; K237-G239 VanDerWaalsContact O-N 3.11Å; K237-G240 PolarHBondContact NZ-O 2.97Å; K237-S241 VanDerWaalsContact CE-O 3.31Å; K237-S241 WeakPolarHBondContact CE-O 2.78Å; K237-S241 PolarHBondContact NZ-O 2.72Å
238P84.9Confident86.1Confident85 Ų8562.6 Ų62.655%0.55239%0.393SS*.  trans-72.2-2.2-174.228.1-33.4000113.8T221T221-P238 VanDerWaalsContact OG1-CG 3.31Å; T221-P238 WeakPolarHBondContact OG1-CG 3.41Å
239G81.9Confident86.4Confident36 Ų3665.1 Ų65.137%0.37141%0.405SS..SBendtrans145-157.6177.200000112K237K237-G239 PolarHBondContact NZ-O 3.16Å; K237-G239 PolarHBondContact O-N 3.28Å; K237-G239 VanDerWaalsContact O-N 3.11Å
240G81.8Confident86.7Confident57 Ų5761.7 Ų61.759%0.58839%0.391SS*.  trans87.4-160.5174.500000115.1T219 K237T219-G240 WeakPolarHBondContact O-CA 3.3Å; K237-G240 PolarHBondContact NZ-O 2.97Å
241S82.4Confident87.2Confident15 Ų1559.7 Ų59.711%0.10537%0.371CS..SBendtrans-50.8147.9-176.743.50000114.6V200 D203 T219 K237V200-S241 WeakPolarHBondContact CG1-OG 3.45Å; D203-S241 WeakPolarHBondContact OD1-CB 3.47Å; T219-S241 PolarHBondContact O-N 2.84Å; T219-S241 PolarHBondContact OG1-OG 2.98Å; K237-S241 VanDerWaalsContact CE-O 3.31Å; K237-S241 WeakPolarHBondContact CE-O 2.78Å; K237-S241 PolarHBondContact NZ-O 2.72Å
242G81.2Confident87.4Confident62 Ų6255.7 Ų55.764%0.63935%0.354SS*.  trans-70.8136.6176.400000111.1
243L82.9Confident87.4Confident43 Ų4354.4 Ų54.423%0.22535%0.353CS..  trans-109.4126.5177.7-165.573.4000110.6V200 L206 L222 K247 L248V200-L243 HydrophobicContact CG2-CD1 4.43Å; L206-L243 HydrophobicContact CD1-CD1 4.4Å; L222-L243 HydrophobicContact CD2-CD2 3.8Å; L243-K247 HydrophobicContact CD1-CB 3.7Å; L243-K247 HydrophobicContact CD1-CD 4.01Å; L243-K247 HydrophobicContact CG-CB 4.04Å; L243-L248 HydrophobicContact CD2-CB 3.79Å; L243-L248 HydrophobicContact CD2-CD1 4.33Å; L243-L248 HydrophobicContact CD2-CG 4.09Å
244T87.5Confident87.5Confident89 Ų8957.2 Ų57.255%0.54636%0.36SS..  trans-68.5143.1172.4-43.20000110.4A246 K247 L248T244-A246 HydrophobicContact CG2-CB 4.43Å; T244-A246 PolarHBondContact O-N 2.88Å; T244-A246 VanDerWaalsContact O-N 3.15Å; T244-K247 WeakPolarHBondContact O-CB 3.42Å; T244-K247 PolarHBondContact O-N 3.41Å; T244-L248 PolarHBondContact O-N 3.07Å; T244-L248 VanDerWaalsContact O-N 3.11Å
245G87.4Confident87.5Confident49 Ų4956.2 Ų56.251%0.50535%0.353SS..Hα-helixtrans-53.7-36.4177.100000113.9K247 L248 Q249G245-K247 VanDerWaalsContact C-N 3.34Å; G245-K247 PolarHBondContact O-N 2.84Å; G245-L248 WeakPolarHBondContact O-CB 3.39Å; G245-L248 PolarHBondContact O-N 2.93Å; G245-Q249 WeakPolarHBondContact O-CG 3.5Å; G245-Q249 PolarHBondContact O-N 3.23Å
246A88.6Confident87.5Confident74 Ų7455 Ų5561%0.61235%0.349SS*.Hα-helixtrans-62.1-38.4175.300000113.1T244 Q249 D250T244-A246 HydrophobicContact CG2-CB 4.43Å; T244-A246 PolarHBondContact O-N 2.88Å; T244-A246 VanDerWaalsContact O-N 3.15Å; A246-Q249 PolarHBondContact O-N 3.2Å; A246-D250 PolarHBondContact O-N 3.42Å; A246-D250 VanDerWaalsContact O-N 3.13Å
247K86.6Confident87.4Confident57 Ų5757.2 Ų57.225%0.24837%0.366CS..Hα-helixtrans-71.1-37.4176.4-65.7-170.6-177.3-171.60111.7D203 T204 L243 T244 G245 Q249 D250 C251D203-K247 PolarHBondContact O-NZ 2.92Å; T204-K247 VanDerWaalsContact C-NZ 3.32Å; T204-K247 PolarHBondContact O-NZ 3.44Å; L243-K247 HydrophobicContact CD1-CB 3.7Å; L243-K247 HydrophobicContact CD1-CD 4.01Å; L243-K247 HydrophobicContact CG-CB 4.04Å; T244-K247 WeakPolarHBondContact O-CB 3.42Å; T244-K247 PolarHBondContact O-N 3.41Å; G245-K247 VanDerWaalsContact C-N 3.34Å; G245-K247 PolarHBondContact O-N 2.84Å; K247-Q249 VanDerWaalsContact C-N 3.28Å; K247-Q249 PolarHBondContact O-N 3.06Å; K247-D250 WeakPolarHBondContact O-CB 3.21Å; K247-D250 PolarHBondContact O-N 3.4Å; K247-D250 VanDerWaalsContact O-N 3.16Å; K247-C251 PolarHBondContact O-N 3.37Å; K247-C251 PolarHBondContact O-SG 3.22Å
248L89.3Confident87.3Confident48 Ų4853.8 Ų53.825%0.25135%0.351SS..Hα-helixtrans-60.6-41.6174.7-161160000110.6L235 L243 T244 G245 D250 C251 M252L235-L248 HydrophobicContact CD1-CD1 4.13Å; L235-L248 HydrophobicContact CD1-CD2 4.34Å; L235-L248 HydrophobicContact CD1-CG 4.45Å; L243-L248 HydrophobicContact CD2-CB 3.79Å; L243-L248 HydrophobicContact CD2-CD1 4.33Å; L243-L248 HydrophobicContact CD2-CG 4.09Å; T244-L248 PolarHBondContact O-N 3.07Å; T244-L248 VanDerWaalsContact O-N 3.11Å; G245-L248 WeakPolarHBondContact O-CB 3.39Å; G245-L248 PolarHBondContact O-N 2.93Å; L248-D250 PolarHBondContact O-N 2.93Å; L248-C251 WeakPolarHBondContact O-CB 3.15Å; L248-C251 PolarHBondContact O-N 2.94Å; L248-M252 HydrophobicContact CD2-CE 3.51Å; L248-M252 HydrophobicContact CD2-CG 4.01Å; L248-M252 HydrophobicContact CD2-SD 3.68Å; L248-M252 WeakPolarHBondContact O-CG 3.23Å; L248-M252 PolarHBondContact O-N 3.36Å
249Q89.8Confident87.5Confident123 Ų12350.2 Ų50.258%0.57533%0.326SS*.Hα-helixtrans-61.5-40.9173.4-66.1-66.8-29.300112.6G245 A246 K247 M252 S253G245-Q249 WeakPolarHBondContact O-CG 3.5Å; G245-Q249 PolarHBondContact O-N 3.23Å; A246-Q249 PolarHBondContact O-N 3.2Å; K247-Q249 VanDerWaalsContact C-N 3.28Å; K247-Q249 PolarHBondContact O-N 3.06Å; Q249-M252 HydrophobicContact CB-CE 4.46Å; Q249-M252 HydrophobicContact CG-CE 4.15Å; Q249-M252 PolarHBondContact O-N 3.46Å; Q249-M252 VanDerWaalsContact OE1-CE 3.23Å; Q249-S253 PolarHBondContact O-N 3.25Å
250D89.4Confident87.9Confident66 Ų6654.5 Ų54.535%0.35334%0.335SS..Hα-helixtrans-63.6-39.9173.3-171.546.7000112A246 K247 L248 M252 S253 R254A246-D250 PolarHBondContact O-N 3.42Å; A246-D250 VanDerWaalsContact O-N 3.13Å; K247-D250 WeakPolarHBondContact O-CB 3.21Å; K247-D250 PolarHBondContact O-N 3.4Å; K247-D250 VanDerWaalsContact O-N 3.16Å; L248-D250 PolarHBondContact O-N 2.93Å; D250-M252 VanDerWaalsContact C-N 3.34Å; D250-M252 PolarHBondContact O-N 3.15Å; D250-S253 PolarHBondContact O-N 3.18Å; D250-S253 PolarHBondContact O-OG 3.35Å; D250-R254 VanDerWaalsContact O-CG 3.3Å; D250-R254 WeakPolarHBondContact O-CG 3.31Å; D250-R254 PolarHBondContact O-N 3.34Å; D250-R254 IonicContact OD1-NE 3.71Å; D250-R254 PolarHBondContact OD1-NE 3.37Å; D250-R254 IonicContact OD1-NH2 2.73Å; D250-R254 IonicContact OD2-CZ 3.72Å; D250-R254 IonicContact OD2-NE 3.5Å; D250-R254 PolarHBondContact OD2-NE 2.85Å; D250-R254 IonicContact OD2-NH2 2.88Å; D250-R254 PolarHBondContact OD2-NH2 3.2Å
251C89.1Confident88.2Confident0 Ų056.2 Ų56.20%033%0.328CS..Hα-helixtrans-61.3-44.4174.7-58.70000111.2F198 L206 L222 I224 K247 L248 R254 A255F198-C251 HydrophobicContact CD2-CB 4.27Å; F198-C251 HydrophobicContact CE1-CB 4.35Å; F198-C251 HydrophobicContact CE2-CB 4.01Å; F198-C251 HydrophobicContact CZ-CB 4.04Å; F198-C251 VanDerWaalsContact CZ-O 3.31Å; F198-C251 WeakPolarHBondContact CZ-O 3.41Å; L206-C251 WeakPolarHBondContact CD1-SG 3.27Å; L222-C251 HydrophobicContact CD2-CB 4.32Å; I224-C251 HydrophobicContact CD1-CB 3.53Å; K247-C251 PolarHBondContact O-N 3.37Å; K247-C251 PolarHBondContact O-SG 3.22Å; L248-C251 WeakPolarHBondContact O-CB 3.15Å; L248-C251 PolarHBondContact O-N 2.94Å; C251-R254 PolarHBondContact O-N 3.2Å; C251-A255 WeakPolarHBondContact O-CB 3.41Å; C251-A255 PolarHBondContact O-N 3.46Å
252M90.8Very high88.5Confident35 Ų3555.8 Ų55.817%0.17232%0.324CS..Hα-helixtrans-63.5-43.1178.6-70.8-173.1-61.200111.7I224 L248 Q249 D250 R254 A255 V256I224-M252 HydrophobicContact CD1-CG 4.09Å; L248-M252 HydrophobicContact CD2-CE 3.51Å; L248-M252 HydrophobicContact CD2-CG 4.01Å; L248-M252 HydrophobicContact CD2-SD 3.68Å; L248-M252 WeakPolarHBondContact O-CG 3.23Å; L248-M252 PolarHBondContact O-N 3.36Å; Q249-M252 HydrophobicContact CB-CE 4.46Å; Q249-M252 HydrophobicContact CG-CE 4.15Å; Q249-M252 PolarHBondContact O-N 3.46Å; Q249-M252 VanDerWaalsContact OE1-CE 3.23Å; D250-M252 VanDerWaalsContact C-N 3.34Å; D250-M252 PolarHBondContact O-N 3.15Å; M252-R254 PolarHBondContact O-N 3.26Å; M252-A255 PolarHBondContact O-N 3.16Å; M252-V256 WeakPolarHBondContact O-CG2 3.37Å; M252-V256 PolarHBondContact O-N 2.89Å
253S90.6Very high88.8Confident60 Ų6055.5 Ų55.542%0.4231%0.306SS..Hα-helixtrans-64-41178.576.80000112.2Q249 D250 V256 T257Q249-S253 PolarHBondContact O-N 3.25Å; D250-S253 PolarHBondContact O-N 3.18Å; D250-S253 PolarHBondContact O-OG 3.35Å; S253-V256 PolarHBondContact O-N 3.09Å; S253-T257 PolarHBondContact O-N 2.72Å; S253-T257 PolarHBondContact O-OG1 3.19Å
254R88.9Confident89.1Confident81 Ų8160 Ų6031%0.30632%0.323SS..Hα-helixtrans-65.4-42.9174.7-70.1179.5-168.2-154.56.3111.7F198 D250 C251 M252 V256 T257 R258F198-R254 HydrophobicContact CE1-CB 4.33Å; F198-R254 HydrophobicContact CZ-CB 4.45Å; D250-R254 VanDerWaalsContact O-CG 3.3Å; D250-R254 WeakPolarHBondContact O-CG 3.31Å; D250-R254 PolarHBondContact O-N 3.34Å; D250-R254 IonicContact OD1-NE 3.71Å; D250-R254 PolarHBondContact OD1-NE 3.37Å; D250-R254 IonicContact OD1-NH2 2.73Å; D250-R254 IonicContact OD2-CZ 3.72Å; D250-R254 IonicContact OD2-NE 3.5Å; D250-R254 PolarHBondContact OD2-NE 2.85Å; D250-R254 IonicContact OD2-NH2 2.88Å; D250-R254 PolarHBondContact OD2-NH2 3.2Å; C251-R254 PolarHBondContact O-N 3.2Å; M252-R254 PolarHBondContact O-N 3.26Å; R254-V256 VanDerWaalsContact C-N 3.26Å; R254-V256 PolarHBondContact O-N 3.44Å; R254-T257 WeakPolarHBondContact O-CB 3.39Å; R254-T257 PolarHBondContact O-N 2.94Å; R254-T257 VanDerWaalsContact O-N 3.15Å; R254-R258 PolarHBondContact O-N 3.31Å
255A90.4Very high89.1Confident0 Ų058.2 Ų58.20%031%0.31CS..Hα-helixtrans-61.8-35.7177.400000111.4T196 F198 M226 C251 M252 T257 R258 H259T196-A255 HydrophobicContact CG2-CB 4.13Å; T196-A255 WeakPolarHBondContact OG1-CB 3.1Å; F198-A255 HydrophobicContact CE2-CB 4.21Å; F198-A255 HydrophobicContact CZ-CB 3.98Å; M226-A255 HydrophobicContact CE-CB 3.13Å; M226-A255 HydrophobicContact SD-CB 4.36Å; C251-A255 WeakPolarHBondContact O-CB 3.41Å; C251-A255 PolarHBondContact O-N 3.46Å; M252-A255 PolarHBondContact O-N 3.16Å; A255-T257 VanDerWaalsContact C-N 3.33Å; A255-R258 PolarHBondContact O-N 2.88Å; A255-H259 WeakPolarHBondContact O-CB 3.32Å; A255-H259 PolarHBondContact O-N 2.99Å
256V91.3Very high89.1Confident45 Ų4556 Ų5627%0.27329%0.286SS..Hα-helixtrans-68.3-39.3177.4168.90000109.9M226 M252 S253 R254 H259 K260M226-V256 HydrophobicContact CE-CB 4.09Å; M226-V256 HydrophobicContact CE-CG2 3.43Å; M226-V256 VanDerWaalsContact CE-CG2 3.43Å; M226-V256 HydrophobicContact SD-CG2 3.71Å; M252-V256 WeakPolarHBondContact O-CG2 3.37Å; M252-V256 PolarHBondContact O-N 2.89Å; S253-V256 PolarHBondContact O-N 3.09Å; R254-V256 VanDerWaalsContact C-N 3.26Å; R254-V256 PolarHBondContact O-N 3.44Å; V256-H259 PolarHBondContact O-N 2.88Å; V256-K260 WeakPolarHBondContact O-CG 3.41Å; V256-K260 PolarHBondContact O-N 2.73Å
257T89.8Confident89Confident96 Ų9655.3 Ų55.359%0.58927%0.273SS*.Hα-helixtrans-62.9-45.8176.8-540000110.5S253 R254 A255 K260 E261S253-T257 PolarHBondContact O-N 2.72Å; S253-T257 PolarHBondContact O-OG1 3.19Å; R254-T257 WeakPolarHBondContact O-CB 3.39Å; R254-T257 PolarHBondContact O-N 2.94Å; R254-T257 VanDerWaalsContact O-N 3.15Å; A255-T257 VanDerWaalsContact C-N 3.33Å; T257-K260 PolarHBondContact O-N 3.43Å; T257-E261 PolarHBondContact O-N 3.15Å
258R88.4Confident89Confident9 Ų958.5 Ų58.53%0.03429%0.288CS..Hα-helixtrans-64.3-44.4176.3-179.957.3171.9171.15.8112.7F32 T196 R254 A255 K260 E261 V262F32-R258 HydrophobicContact CD1-CG 4.07Å; F32-R258 VanDerWaalsContact CD1-NE 3.31Å; F32-R258 HydrophobicContact CD2-CB 4.46Å; F32-R258 HydrophobicContact CD2-CG 4.2Å; F32-R258 HydrophobicContact CE1-CB 4.18Å; F32-R258 HydrophobicContact CE1-CG 3.51Å; F32-R258 HydrophobicContact CE2-CB 3.59Å; F32-R258 VanDerWaalsContact CE2-CD 3.49Å; F32-R258 HydrophobicContact CE2-CG 3.66Å; F32-R258 HydrophobicContact CG-CG 4.37Å; F32-R258 HydrophobicContact CZ-CB 3.4Å; F32-R258 HydrophobicContact CZ-CG 3.25Å; T196-R258 HydrophobicContact CG2-CB 3.89Å; T196-R258 HydrophobicContact CG2-CG 3.75Å; R254-R258 PolarHBondContact O-N 3.31Å; A255-R258 PolarHBondContact O-N 2.88Å; R258-K260 PolarHBondContact O-N 3.11Å; R258-E261 IonicContact CZ-OE2 3.63Å; R258-E261 IonicContact NH1-OE1 3.41Å; R258-E261 PolarHBondContact NH1-OE1 2.88Å; R258-E261 IonicContact NH1-OE2 3.49Å; R258-E261 PolarHBondContact NH1-OE2 3.44Å; R258-E261 WeakPolarHBondContact O-CB 3.42Å; R258-E261 PolarHBondContact O-N 3.02Å; R258-V262 HydrophobicContact CG-CG2 3.96Å; R258-V262 VanDerWaalsContact NE-CG2 3.28Å; R258-V262 WeakPolarHBondContact O-CG2 3.45Å; R258-V262 PolarHBondContact O-N 3.42Å
259H89.8Confident88.8Confident9 Ų957.5 Ų57.54%0.04228%0.284CS..Hα-helixtrans-52.6-45178177.9105.8000110.8H192 V194 M226 D227 E228 A255 V256 E261 V262 K263H192-H259 PolarHBondContact O-CE1 2.81Å; V194-H259 HydrophobicContact CB-CB 4.34Å; V194-H259 WeakPolarHBondContact CB-ND1 3.28Å; V194-H259 WeakPolarHBondContact CG2-ND1 3.41Å; M226-H259 PolarHBondContact O-CE1 3.41Å; M226-H259 VanDerWaalsContact O-CE1 3.26Å; M226-H259 PolarHBondContact O-ND1 3.43Å; D227-H259 VanDerWaalsContact C-CE1 3.48Å; E228-H259 WeakPolarHBondContact CA-NE2 3.32Å; A255-H259 WeakPolarHBondContact O-CB 3.32Å; A255-H259 PolarHBondContact O-N 2.99Å; V256-H259 PolarHBondContact O-N 2.88Å; H259-E261 VanDerWaalsContact C-N 3.33Å; H259-E261 PolarHBondContact O-N 3.27Å; H259-V262 PolarHBondContact O-N 3.05Å; H259-K263 VanDerWaalsContact O-CB 3.25Å; H259-K263 WeakPolarHBondContact O-CB 3.18Å; H259-K263 PolarHBondContact O-N 2.93Å
260K89.7Confident88.4Confident127 Ų12753.4 Ų53.455%0.55227%0.266SS*.Hα-helixtrans-62.7-37.5177.2-70173.7-177.5176.70113V256 T257 R258 K264V256-K260 WeakPolarHBondContact O-CG 3.41Å; V256-K260 PolarHBondContact O-N 2.73Å; T257-K260 PolarHBondContact O-N 3.43Å; R258-K260 PolarHBondContact O-N 3.11Å; K260-K264 VanDerWaalsContact O-CG 3.27Å; K260-K264 WeakPolarHBondContact O-CG 3.27Å; K260-K264 PolarHBondContact O-N 3.2Å
261E88.2Confident88.1Confident93 Ų9358 Ų5844%0.43528%0.283SS..Hα-helixtrans-68.4-49.6177.5-168.5-167.1160.500111.3T257 R258 H259 K263 K264 L265T257-E261 PolarHBondContact O-N 3.15Å; R258-E261 IonicContact CZ-OE2 3.63Å; R258-E261 IonicContact NH1-OE1 3.41Å; R258-E261 PolarHBondContact NH1-OE1 2.88Å; R258-E261 IonicContact NH1-OE2 3.49Å; R258-E261 PolarHBondContact NH1-OE2 3.44Å; R258-E261 WeakPolarHBondContact O-CB 3.42Å; R258-E261 PolarHBondContact O-N 3.02Å; H259-E261 VanDerWaalsContact C-N 3.33Å; H259-E261 PolarHBondContact O-N 3.27Å; E261-K263 VanDerWaalsContact C-N 3.31Å; E261-K263 PolarHBondContact O-N 3.36Å; E261-K264 WeakPolarHBondContact O-CB 3.29Å; E261-K264 PolarHBondContact O-N 3.45Å; E261-K264 VanDerWaalsContact O-N 3.16Å; E261-L265 WeakPolarHBondContact O-CG 3.35Å; E261-L265 PolarHBondContact O-N 3.16Å
262V87.8Confident87.7Confident6 Ų662.5 Ų62.54%0.03631%0.314CS..Hα-helixtrans-61.7-40.8179.3174.50000111.2F154 V194 R258 H259 L265 M266F154-V262 HydrophobicContact CD2-CG1 3.31Å; F154-V262 HydrophobicContact CE2-CB 4.5Å; F154-V262 HydrophobicContact CE2-CG1 3.1Å; F154-V262 HydrophobicContact CG-CG1 4.16Å; F154-V262 HydrophobicContact CZ-CG1 3.77Å; V194-V262 HydrophobicContact CG1-CB 4.1Å; V194-V262 HydrophobicContact CG1-CG1 3.94Å; V194-V262 HydrophobicContact CG1-CG2 4.22Å; V194-V262 HydrophobicContact CG2-CB 4.37Å; V194-V262 HydrophobicContact CG2-CG1 4Å; R258-V262 HydrophobicContact CG-CG2 3.96Å; R258-V262 VanDerWaalsContact NE-CG2 3.28Å; R258-V262 WeakPolarHBondContact O-CG2 3.45Å; R258-V262 PolarHBondContact O-N 3.42Å; H259-V262 PolarHBondContact O-N 3.05Å; V262-L265 PolarHBondContact O-N 3.13Å; V262-M266 PolarHBondContact O-N 2.97Å
263K87.9Confident86.5Confident56 Ų5665.2 Ų65.224%0.24333%0.328CS..Hα-helixtrans-60.6-45.4174.8-175.1176.9-179.3175.20111.9E228 H259 E261 L265 M266 D267E228-K263 WeakPolarHBondContact OE1-CE 3.44Å; E228-K263 IonicContact OE1-NZ 2.98Å; E228-K263 PolarHBondContact OE1-NZ 2.8Å; E228-K263 IonicContact OE2-NZ 3.84Å; E228-K263 PolarHBondContact OE2-NZ 2.94Å; H259-K263 VanDerWaalsContact O-CB 3.25Å; H259-K263 WeakPolarHBondContact O-CB 3.18Å; H259-K263 PolarHBondContact O-N 2.93Å; E261-K263 VanDerWaalsContact C-N 3.31Å; E261-K263 PolarHBondContact O-N 3.36Å; K263-L265 VanDerWaalsContact C-N 3.34Å; K263-L265 PolarHBondContact O-N 2.95Å; K263-M266 PolarHBondContact O-N 3.3Å; K263-D267 PolarHBondContact O-N 3.42Å
264K89.8Confident85Confident137 Ų13769.5 Ų69.560%0.59634%0.339SS*.Hα-helixtrans-59.3-45.4175.9-74.3171.7-177.8-177.90111.7K260 E261 M266 D267 E268K260-K264 VanDerWaalsContact O-CG 3.27Å; K260-K264 WeakPolarHBondContact O-CG 3.27Å; K260-K264 PolarHBondContact O-N 3.2Å; E261-K264 WeakPolarHBondContact O-CB 3.29Å; E261-K264 PolarHBondContact O-N 3.45Å; E261-K264 VanDerWaalsContact O-N 3.16Å; K264-M266 VanDerWaalsContact C-N 3.33Å; K264-M266 PolarHBondContact O-N 3.33Å; K264-D267 PolarHBondContact O-N 3.16Å; K264-E268 WeakPolarHBondContact O-CB 3.5Å; K264-E268 WeakPolarHBondContact O-CG 3.48Å; K264-E268 PolarHBondContact O-N 3.48Å
265L88Confident83.1Confident51 Ų5171.3 Ų71.327%0.26736%0.361SS..Hα-helixtrans-60-44.1177.5-68.8172.7000111.6T35 E261 V262 K263 E268 V269T35-L265 WeakPolarHBondContact OG1-CD1 3.46Å; E261-L265 WeakPolarHBondContact O-CG 3.35Å; E261-L265 PolarHBondContact O-N 3.16Å; V262-L265 PolarHBondContact O-N 3.13Å; K263-L265 VanDerWaalsContact C-N 3.34Å; K263-L265 PolarHBondContact O-N 2.95Å; L265-E268 PolarHBondContact O-N 2.99Å; L265-V269 WeakPolarHBondContact O-CG2 3.49Å; L265-V269 PolarHBondContact O-N 3.46Å
266M85.9Confident80.4Confident2 Ų284.8 Ų84.81%0.0142%0.419CS..Hα-helixtrans-63.7-43.9176.7-175.1171.453.400112F154 L157 H192 V262 K263 K264 E268 V269 I270F154-M266 HydrophobicContact CE2-CB 4.14Å; F154-M266 HydrophobicContact CE2-SD 4.43Å; F154-M266 HydrophobicContact CZ-CB 4.36Å; L157-M266 HydrophobicContact CB-SD 4.36Å; H192-M266 HydrophobicContact CB-CE 4.38Å; H192-M266 WeakPolarHBondContact ND1-CE 3.3Å; V262-M266 PolarHBondContact O-N 2.97Å; K263-M266 PolarHBondContact O-N 3.3Å; K264-M266 VanDerWaalsContact C-N 3.33Å; K264-M266 PolarHBondContact O-N 3.33Å; M266-E268 VanDerWaalsContact C-N 3.33Å; M266-E268 PolarHBondContact O-N 2.99Å; M266-V269 PolarHBondContact O-N 3.27Å; M266-I270 HydrophobicContact CG-CD1 3.88Å; M266-I270 VanDerWaalsContact O-CG1 3.24Å; M266-I270 WeakPolarHBondContact O-CG1 3.28Å; M266-I270 PolarHBondContact O-N 3.03Å
267D86.8Confident79.9Confident61 Ų6186.8 Ų86.833%0.32643%0.427SS..Hα-helixtrans-63.7-37.7177.1-74.7-29.6000112.3K263 K264 K271K263-D267 PolarHBondContact O-N 3.42Å; K264-D267 PolarHBondContact O-N 3.16Å; D267-K271 WeakPolarHBondContact O-CB 3.47Å; D267-K271 VanDerWaalsContact O-CG 3.27Å; D267-K271 WeakPolarHBondContact O-CG 3.36Å; D267-K271 PolarHBondContact O-N 3.46Å
268E87.8Confident79.3Confident123 Ų12386.3 Ų86.358%0.57542%0.418SS*.Hα-helixtrans-64.5-42.9174.7-76.9179.2-176.800111.8K264 L265 M266 K271 S272K264-E268 WeakPolarHBondContact O-CB 3.5Å; K264-E268 WeakPolarHBondContact O-CG 3.48Å; K264-E268 PolarHBondContact O-N 3.48Å; L265-E268 PolarHBondContact O-N 2.99Å; M266-E268 VanDerWaalsContact C-N 3.33Å; M266-E268 PolarHBondContact O-N 2.99Å; E268-K271 PolarHBondContact O-N 2.78Å; E268-S272 PolarHBondContact O-N 3.39Å
269V85.4Confident78.8Confident27 Ų2790.6 Ų90.616%0.16444%0.44CS..Hα-helixtrans-68.6-40.7178.5176.70000110.8V37 I39 L265 M266 K271 S272 M273V37-V269 HydrophobicContact CG1-CB 4.13Å; V37-V269 HydrophobicContact CG1-CG1 4.11Å; V37-V269 HydrophobicContact CG1-CG2 3.47Å; V37-V269 VanDerWaalsContact CG1-CG2 3.47Å; I39-V269 HydrophobicContact CD1-CB 4.45Å; I39-V269 HydrophobicContact CD1-CG1 3.66Å; I39-V269 HydrophobicContact CG1-CG1 3.81Å; L265-V269 WeakPolarHBondContact O-CG2 3.49Å; L265-V269 PolarHBondContact O-N 3.46Å; M266-V269 PolarHBondContact O-N 3.27Å; V269-K271 VanDerWaalsContact C-N 3.3Å; V269-K271 PolarHBondContact O-N 3Å; V269-S272 PolarHBondContact O-N 3.5Å; V269-S272 PolarHBondContact O-OG 3.21Å; V269-M273 HydrophobicContact CG1-CG 4.44Å; V269-M273 HydrophobicContact CG1-SD 3.87Å; V269-M273 WeakPolarHBondContact O-CB 3.43Å; V269-M273 VanDerWaalsContact O-CG 3.24Å; V269-M273 WeakPolarHBondContact O-CG 3.42Å; V269-M273 PolarHBondContact O-N 3.1Å
270I81.3Confident78.2Confident38 Ų3895.4 Ų95.420%0.19546%0.463CS..Hα-helixtrans-63-39.4175.1-67.8165.3000110.7I39 K161 M266 M273 K274I39-I270 HydrophobicContact CD1-CG1 4.13Å; K161-I270 HydrophobicContact CB-CD1 4.44Å; K161-I270 HydrophobicContact CD-CD1 4.43Å; K161-I270 HydrophobicContact CG-CD1 4.12Å; M266-I270 HydrophobicContact CG-CD1 3.88Å; M266-I270 VanDerWaalsContact O-CG1 3.24Å; M266-I270 WeakPolarHBondContact O-CG1 3.28Å; M266-I270 PolarHBondContact O-N 3.03Å; I270-M273 PolarHBondContact O-N 3.21Å; I270-K274 PolarHBondContact O-N 2.94Å
271K82.4Confident77.5Confident161 Ų16193.4 Ų93.470%0.746%0.457SS*.Hα-helixtrans-67.1-37.7176.4-77.9172.6-174.21710112.8D267 E268 V269 M273D267-K271 WeakPolarHBondContact O-CB 3.47Å; D267-K271 VanDerWaalsContact O-CG 3.27Å; D267-K271 WeakPolarHBondContact O-CG 3.36Å; D267-K271 PolarHBondContact O-N 3.46Å; E268-K271 PolarHBondContact O-N 2.78Å; V269-K271 VanDerWaalsContact C-N 3.3Å; V269-K271 PolarHBondContact O-N 3Å; K271-M273 VanDerWaalsContact C-N 3.27Å
272S79.8Confident76.8Confident95 Ų9593.4 Ų93.466%0.66446%0.459SS*.Hα-helixtrans-71.1-26.4178.270.20000112.4E268 V269E268-S272 PolarHBondContact O-N 3.39Å; V269-S272 PolarHBondContact O-N 3.5Å; V269-S272 PolarHBondContact O-OG 3.21Å
273M65.9Low76Confident93 Ų9399.6 Ų99.646%0.45849%0.489SS..Hα-helixtrans-94.1-20.9-177-65.5-173.186.100115.1I39 V269 I270 K271 P275I39-M273 HydrophobicContact CB-CE 4.06Å; I39-M273 HydrophobicContact CB-SD 3.53Å; I39-M273 VanDerWaalsContact CB-SD 3.53Å; I39-M273 HydrophobicContact CD1-SD 4.37Å; I39-M273 HydrophobicContact CG1-SD 4.08Å; I39-M273 WeakPolarHBondContact O-CE 3.48Å; V269-M273 HydrophobicContact CG1-CG 4.44Å; V269-M273 HydrophobicContact CG1-SD 3.87Å; V269-M273 WeakPolarHBondContact O-CB 3.43Å; V269-M273 VanDerWaalsContact O-CG 3.24Å; V269-M273 WeakPolarHBondContact O-CG 3.42Å; V269-M273 PolarHBondContact O-N 3.1Å; I270-M273 PolarHBondContact O-N 3.21Å; K271-M273 VanDerWaalsContact C-N 3.27Å; M273-P275 WeakPolarHBondContact O-CD 3.45Å
274K59.4Low75.1Confident150 Ų150103 Ų10365%0.65251%0.508SS*.SBendtrans-65.9114.3168-80.1-175.6179.1-177.90108.3I270 K276I270-K274 PolarHBondContact O-N 2.94Å; K274-K276 PolarHBondContact O-N 3.34Å
275P49.1Very low73.8Confident119 Ų119100.2 Ų100.277%0.77350%0.501SS*.  trans-60.2134.3175.625.7-32.2000108.8M273M273-P275 WeakPolarHBondContact O-CD 3.45Å
276K34.3Very low72.5Confident282 Ų282104.6 Ų104.6100%1.22652%0.522SS*.  trans-61.60168.4-82-176.3176.7177.40111.1K274K274-K276 PolarHBondContact O-N 3.34Å

Retrieved 276 of 276 residues in 57.1 ms (Link to these results)

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