A0A087X9Q6_POEFO Loading...

Peptidyl-prolyl cis-trans isomerase E

Catalyzes the cis-trans isomerization of proline imidic peptide bonds in proteins. Involved in pre-mRNA splicing as component of the spliceosome. Combines RNA-binding and PPIase activities. Binds mRNA and has a preference for single-stranded RNA molecules with poly-A and poly-U stretches, suggesting it binds to the poly(A)-region in the 3'-UTR of mRNA molecules. Catalyzes the cis-trans isomerization of proline imidic peptide bonds in proteins. Inhibits KMT2A activity; this requires proline isomerase activity.

AlphaFold DB , UniProt , Accession A0A087X9Q6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 302 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
1M31.8Very low67.2Low246 Ų24682 Ų82100%1.21244%0.441SS*.  0131.30-70.8-152.7-126.100107.7A3M1-A3 PolarHBondContact O-N 3.3Å
2A37.3Very low68.4Low89 Ų8977.9 Ų77.974%0.73643%0.433SS*.  trans-54.2124.9-173.400000110.2N4A2-N4 PolarHBondContact O-N 3.35Å
3A46.9Very low69.6Low81 Ų8172.1 Ų72.167%0.66940%0.4SS*.  trans-58113.4164.500000105.9M1 K5M1-A3 PolarHBondContact O-N 3.3Å; A3-K5 WeakPolarHBondContact O-CG 3.37Å; A3-K5 PolarHBondContact O-N 3.03Å
4N55.9Low70.2Confident108 Ų10867.7 Ų67.758%0.57838%0.378SS*.  trans-61.5104.3177.7-79.4-21.9000107.6A2 R6A2-N4 PolarHBondContact O-N 3.35Å; N4-R6 VanDerWaalsContact C-N 3.28Å; N4-R6 HydrophobicContact CB-CG 4.11Å; N4-R6 PolarHBondContact ND2-NH2 3.36Å; N4-R6 PolarHBondContact O-N 3.18Å
5K66.6Low70.6Confident134 Ų13470.6 Ų70.658%0.58339%0.388SS*.  trans-76.578.4-177.8-71.3164.3176-172.80108.6A3 I81A3-K5 WeakPolarHBondContact O-CG 3.37Å; A3-K5 PolarHBondContact O-N 3.03Å; K5-I81 HydrophobicContact CB-CG2 3.73Å; K5-I81 HydrophobicContact CD-CD1 3.76Å; K5-I81 HydrophobicContact CD-CG2 3.94Å; K5-I81 HydrophobicContact CG-CG2 3.82Å
6R77.2Confident71.1Confident101 Ų10175.4 Ų75.438%0.38141%0.406SS..  trans-93.4-13.1-173-67.5177.8-175.8171.8-3.4114.8N4 F54N4-R6 VanDerWaalsContact C-N 3.28Å; N4-R6 HydrophobicContact CB-CG 4.11Å; N4-R6 PolarHBondContact ND2-NH2 3.36Å; N4-R6 PolarHBondContact O-N 3.18Å; R6-F54 PolarHBondContact O-N 2.8Å
7V83.4Confident71.6Confident51 Ų5171 Ų7131%0.30938%0.383SS..EExtended strand (participates in β ladder)trans-104.9126.8-176.9-173.10000109.8F51 I52 E53 A82V7-F51 HydrophobicContact CG1-CB 4.32Å; V7-F51 HydrophobicContact CG1-CD1 4.48Å; V7-I52 CarbonylContact C-O 3.56Å; V7-I52 WeakPolarHBondContact CA-O 3.47Å; V7-E53 HydrophobicContact CG2-CB 4.35Å; V7-E53 HydrophobicContact CG2-CG 4.17Å; V7-A82 HydrophobicContact CB-CB 4.01Å; V7-A82 HydrophobicContact CG1-CB 3.72Å; V7-A82 VanDerWaalsContact O-CB 3.28Å; V7-A82 WeakPolarHBondContact O-CB 3.47Å; V7-A82 PolarHBondContact O-N 3.4Å
8L85.4Confident72.2Confident0 Ų073.3 Ų73.30%040%0.395CS..EExtended strand (participates in β ladder)trans-102.2140.5174.2-60-170.8000110.5F51 I52 F54 A60 A63 I64 V79L8-F51 VanDerWaalsContact O-CA 3.29Å; L8-F51 WeakPolarHBondContact O-CA 3.23Å; L8-I52 PolarHBondContact N-O 3.01Å; L8-I52 PolarHBondContact O-N 2.82Å; L8-F54 HydrophobicContact CD1-CD2 4.05Å; L8-F54 HydrophobicContact CD1-CE2 3.61Å; L8-F54 HydrophobicContact CG-CD2 4.24Å; L8-F54 HydrophobicContact CG-CE2 4.22Å; L8-A60 HydrophobicContact CD1-CB 4.37Å; L8-A60 WeakPolarHBondContact CD1-O 3.38Å; L8-A60 HydrophobicContact CD2-CB 3.95Å; L8-A60 HydrophobicContact CG-CB 4.14Å; L8-A63 HydrophobicContact CD1-CB 3.79Å; L8-I64 HydrophobicContact CD1-CG1 4.14Å; L8-I64 HydrophobicContact CD2-CD1 3.41Å; L8-I64 VanDerWaalsContact CD2-CD1 3.41Å; L8-I64 HydrophobicContact CD2-CG1 3.61Å; L8-V79 HydrophobicContact CB-CG1 4.25Å; L8-V79 HydrophobicContact CD1-CG1 3.91Å
9Y86.1Confident72.7Confident88 Ų8875.3 Ų75.335%0.34540%0.402SS..EExtended strand (participates in β ladder)trans-97.4120166.5172-99.8000108.4F49 F51 V79 N80Y9-F49 HydrophobicContact CE2-CB 3.71Å; Y9-F49 AromaticContact CE2-CD2 3.89Å; Y9-F49 HydrophobicContact CE2-CD2 3.89Å; Y9-F49 AromaticContact CE2-CG 3.96Å; Y9-F49 HydrophobicContact CE2-CG 3.96Å; Y9-F51 HydrophobicContact CD2-CD1 4.16Å; Y9-F51 AromaticContact CD2-CE1 3.55Å; Y9-F51 HydrophobicContact CD2-CE1 3.55Å; Y9-F51 AromaticContact CD2-CZ 3.94Å; Y9-F51 HydrophobicContact CD2-CZ 3.94Å; Y9-F51 HydrophobicContact CE2-CE1 4.41Å; Y9-F51 HydrophobicContact CE2-CZ 4.36Å; Y9-F51 HydrophobicContact CG-CE1 4.41Å; Y9-V79 CarbonylContact O-C 3.56Å; Y9-V79 WeakPolarHBondContact O-CA 3.21Å; Y9-N80 PolarHBondContact N-O 2.88Å; Y9-N80 PolarHBondContact O-N 2.92Å
10V85.6Confident73.3Confident0 Ų080.7 Ų80.70%042%0.421CS..EExtended strand (participates in β ladder)trans-110110.1174.9-175.20000107.7L13 F26 F49 A50 I52 I77 R78 V79V10-L13 HydrophobicContact CB-CD1 4.48Å; V10-L13 HydrophobicContact CG1-CD1 4.12Å; V10-L13 HydrophobicContact CG1-CD2 4.17Å; V10-L13 HydrophobicContact CG1-CG 4.12Å; V10-F26 HydrophobicContact CG2-CE2 4.41Å; V10-F26 HydrophobicContact CG2-CZ 3.93Å; V10-F49 CarbonylContact O-C 3.45Å; V10-F49 WeakPolarHBondContact O-CA 3.34Å; V10-F49 WeakPolarHBondContact O-CB 3.31Å; V10-A50 PolarHBondContact N-O 3.43Å; V10-A50 PolarHBondContact O-N 3.5Å; V10-I52 HydrophobicContact CG2-CD1 3.83Å; V10-I52 HydrophobicContact CG2-CG1 4.28Å; V10-I77 HydrophobicContact CG1-CB 4.49Å; V10-I77 HydrophobicContact CG1-CD1 4.35Å; V10-R78 CarbonylContact C-O 3.59Å; V10-R78 WeakPolarHBondContact CA-O 3.45Å; V10-V79 HydrophobicContact CG1-CG2 4.33Å; V10-V79 HydrophobicContact CG2-CG1 4.27Å; V10-V79 HydrophobicContact CG2-CG2 4.26Å
11G83.1Confident73.8Confident4 Ų479 Ų794%0.04141%0.414CS..EExtended strand (participates in β ladder)trans-109.9160.1176.300000112.2I77 R78G11-I77 CarbonylContact O-C 3.58Å; G11-I77 WeakPolarHBondContact O-CA 3.37Å; G11-R78 PolarHBondContact N-O 3.45Å; G11-R78 PolarHBondContact O-N 2.77Å
12G81.6Confident76.2Confident33 Ų3367.3 Ų67.334%0.3436%0.357SS..  trans85.619.8177.500000114G48G12-G48 PolarHBondContact N-O 3.26Å
13L83.4Confident78.4Confident2 Ų267.2 Ų67.21%0.0134%0.341CS..  trans-67133.6177.2-70.7158.9000110.5V10 V17 L22 G48 A50 I77V10-L13 HydrophobicContact CB-CD1 4.48Å; V10-L13 HydrophobicContact CG1-CD1 4.12Å; V10-L13 HydrophobicContact CG1-CD2 4.17Å; V10-L13 HydrophobicContact CG1-CG 4.12Å; L13-V17 HydrophobicContact CD2-CB 4.2Å; L13-V17 HydrophobicContact CD2-CG1 3.78Å; L13-V17 HydrophobicContact CD2-CG2 4.37Å; L13-L22 HydrophobicContact CD1-CD1 4.18Å; L13-L22 HydrophobicContact CD1-CD2 4.47Å; L13-L22 HydrophobicContact CD2-CD2 3.73Å; L13-L22 HydrophobicContact CD2-CG 4.5Å; L13-G48 PolarHBondContact N-O 3.28Å; L13-A50 HydrophobicContact CD1-CB 3.57Å; L13-I77 HydrophobicContact CD2-CG2 4.18Å
14A78.9Confident80.2Confident11 Ų1166.4 Ų66.49%0.09133%0.334CS..  trans-68148.4170.400000110.1E16 V17 H46 F73 R75A14-E16 PolarHBondContact O-N 2.72Å; A14-V17 HydrophobicContact CB-CG2 4.2Å; A14-V17 WeakPolarHBondContact O-CB 3.16Å; A14-V17 VanDerWaalsContact O-CG2 3.31Å; A14-V17 WeakPolarHBondContact O-CG2 3.41Å; A14-V17 PolarHBondContact O-N 2.66Å; A14-H46 PolarHBondContact O-CE1 2.94Å; A14-H46 PolarHBondContact O-NE2 3.35Å; A14-F73 HydrophobicContact CB-CB 3.69Å; A14-R75 HydrophobicContact CB-CB 4.46Å
15E76.2Confident81.5Confident111 Ų11162.3 Ų62.352%0.51932%0.315SS..THydrogen-bonded Turntrans-59.9-14.8-173.1-167.1-178.8132.200115K45 H46E15-K45 HydrophobicContact CG-CB 4.32Å; E15-K45 HydrophobicContact CG-CD 3.9Å; E15-K45 HydrophobicContact CG-CG 4.03Å; E15-K45 WeakPolarHBondContact OE1-CD 3.44Å; E15-K45 WeakPolarHBondContact OE1-CE 3.43Å; E15-K45 IonicContact OE1-NZ 2.59Å; E15-K45 PolarHBondContact OE1-NZ 3.12Å; E15-H46 WeakPolarHBondContact CA-NE2 3.45Å; E15-H46 PolarHBondContact O-NE2 2.87Å
16E77.9Confident82.2Confident147 Ų14756 Ų5669%0.68729%0.288SS*.THydrogen-bonded Turntrans-933.7-179.6-58.8179.4173.600112.8A14 D18A14-E16 PolarHBondContact O-N 2.72Å; E16-D18 PolarHBondContact O-N 3.36Å
17V80.6Confident82.5Confident1 Ų155.4 Ų55.41%0.00629%0.291CS..  trans-91.3105.5-172.8-178.50000111.3L13 A14 V21 L22 H46 F73L13-V17 HydrophobicContact CD2-CB 4.2Å; L13-V17 HydrophobicContact CD2-CG1 3.78Å; L13-V17 HydrophobicContact CD2-CG2 4.37Å; A14-V17 HydrophobicContact CB-CG2 4.2Å; A14-V17 WeakPolarHBondContact O-CB 3.16Å; A14-V17 VanDerWaalsContact O-CG2 3.31Å; A14-V17 WeakPolarHBondContact O-CG2 3.41Å; A14-V17 PolarHBondContact O-N 2.66Å; V17-V21 HydrophobicContact CG1-CB 4.22Å; V17-V21 HydrophobicContact CG1-CG1 4.13Å; V17-L22 HydrophobicContact CG1-CD1 4.34Å; V17-L22 HydrophobicContact CG1-CD2 4.19Å; V17-L22 HydrophobicContact CG1-CG 3.81Å; V17-H46 PolarHBondContact N-NE2 2.83Å; V17-H46 PolarHBondContact O-CD2 3.36Å; V17-H46 PolarHBondContact O-NE2 3.12Å; V17-F73 HydrophobicContact CG2-CD2 3.64Å; V17-F73 HydrophobicContact CG2-CE2 4.08Å; V17-F73 HydrophobicContact CG2-CG 4.32Å
18D81.4Confident82.6Confident112 Ų11257.8 Ų57.860%0.59931%0.308SS*.  trans-84.4165.6172.9-73.2-51.8000113.6E16 K20 V21 L22E16-D18 PolarHBondContact O-N 3.36Å; D18-K20 PolarHBondContact O-N 2.99Å; D18-V21 WeakPolarHBondContact O-CB 3.47Å; D18-V21 PolarHBondContact O-N 3.1Å; D18-L22 PolarHBondContact O-N 3.22Å; D18-L22 VanDerWaalsContact O-N 3.15Å
19E82.5Confident82.4Confident112 Ų11260.3 Ų60.352%0.52332%0.319SS..Hα-helixtrans-52.1-39.9173.2-170.4-169.2157.600112.9V21 L22 H23 I35 I37E19-V21 VanDerWaalsContact C-N 3.28Å; E19-V21 PolarHBondContact O-N 3.1Å; E19-L22 PolarHBondContact O-N 3.48Å; E19-H23 WeakPolarHBondContact O-CB 3.23Å; E19-H23 PolarHBondContact O-N 3.1Å; E19-I35 HydrophobicContact CG-CB 4.07Å; E19-I35 HydrophobicContact CG-CD1 4.23Å; E19-I35 HydrophobicContact CG-CG2 4.03Å; E19-I37 HydrophobicContact CB-CD1 3.91Å
20K83.3Confident82.2Confident182 Ų18256.7 Ų56.779%0.79131%0.308SS*.Hα-helixtrans-64.4-34.2179.7-64.8-179.3-178.1174.50112.7D18 A24D18-K20 PolarHBondContact O-N 2.99Å; K20-A24 WeakPolarHBondContact O-CB 3.28Å; K20-A24 PolarHBondContact O-N 2.69Å
21V84.2Confident82Confident46 Ų4662.2 Ų62.228%0.27934%0.338SS..Hα-helixtrans-73.7-42.8179.6176.90000109.7V17 D18 E19 A24 A25 F73V17-V21 HydrophobicContact CG1-CB 4.22Å; V17-V21 HydrophobicContact CG1-CG1 4.13Å; D18-V21 WeakPolarHBondContact O-CB 3.47Å; D18-V21 PolarHBondContact O-N 3.1Å; E19-V21 VanDerWaalsContact C-N 3.28Å; E19-V21 PolarHBondContact O-N 3.1Å; V21-A24 PolarHBondContact O-N 2.85Å; V21-A25 WeakPolarHBondContact O-CB 3.15Å; V21-A25 PolarHBondContact O-N 2.76Å; V21-F73 HydrophobicContact CG1-CE2 3.68Å; V21-F73 HydrophobicContact CG1-CZ 4.16Å
22L83.3Confident82Confident1 Ų163.6 Ų63.61%0.00534%0.344CS..Hα-helixtrans-61.7-45.7172.4-74.8171.7000111.2L13 V17 D18 E19 A24 A25 F26 I35 I37 A50L13-L22 HydrophobicContact CD1-CD1 4.18Å; L13-L22 HydrophobicContact CD1-CD2 4.47Å; L13-L22 HydrophobicContact CD2-CD2 3.73Å; L13-L22 HydrophobicContact CD2-CG 4.5Å; V17-L22 HydrophobicContact CG1-CD1 4.34Å; V17-L22 HydrophobicContact CG1-CD2 4.19Å; V17-L22 HydrophobicContact CG1-CG 3.81Å; D18-L22 PolarHBondContact O-N 3.22Å; D18-L22 VanDerWaalsContact O-N 3.15Å; E19-L22 PolarHBondContact O-N 3.48Å; L22-A24 PolarHBondContact O-N 3Å; L22-A25 PolarHBondContact O-N 2.75Å; L22-A25 VanDerWaalsContact O-N 3.16Å; L22-F26 HydrophobicContact CD2-CD2 4.22Å; L22-F26 HydrophobicContact CD2-CE2 3.78Å; L22-F26 VanDerWaalsContact O-CD2 3.25Å; L22-F26 WeakPolarHBondContact O-CD2 3.23Å; L22-F26 PolarHBondContact O-N 3.5Å; L22-I35 HydrophobicContact CD1-CG2 4.39Å; L22-I37 HydrophobicContact CD1-CD1 3.75Å; L22-I37 HydrophobicContact CD1-CG1 4.16Å; L22-A50 HydrophobicContact CD1-CB 3.7Å
23H83.4Confident82.1Confident87 Ų8766.9 Ų66.940%0.40335%0.353SS..Hα-helixtrans-56-50.2175.9-171.1-91.3000111.1E19 A25 F26 I27 I35E19-H23 WeakPolarHBondContact O-CB 3.23Å; E19-H23 PolarHBondContact O-N 3.1Å; H23-A25 VanDerWaalsContact C-N 3.32Å; H23-A25 PolarHBondContact O-N 2.91Å; H23-F26 PolarHBondContact O-N 3.18Å; H23-I27 WeakPolarHBondContact CE1-CD1 3.39Å; H23-I27 WeakPolarHBondContact ND1-CD1 3.48Å; H23-I27 WeakPolarHBondContact O-CD1 3.25Å; H23-I27 WeakPolarHBondContact O-CG1 3.3Å; H23-I27 PolarHBondContact O-N 3.13Å; H23-I35 HydrophobicContact CB-CD1 3.92Å
24A84Confident81.9Confident63 Ų6369.9 Ų69.952%0.52137%0.369SS..Hα-helixtrans-61.2-35.5177.800000114K20 V21 L22K20-A24 WeakPolarHBondContact O-CB 3.28Å; K20-A24 PolarHBondContact O-N 2.69Å; V21-A24 PolarHBondContact O-N 2.85Å; L22-A24 PolarHBondContact O-N 3Å
25A82.5Confident82Confident23 Ų2370.1 Ų70.119%0.1937%0.368CS..Hα-helixtrans-73.9-29.3179.700000112.9V21 L22 H23 F29 M67V21-A25 WeakPolarHBondContact O-CB 3.15Å; V21-A25 PolarHBondContact O-N 2.76Å; L22-A25 PolarHBondContact O-N 2.75Å; L22-A25 VanDerWaalsContact O-N 3.16Å; H23-A25 VanDerWaalsContact C-N 3.32Å; H23-A25 PolarHBondContact O-N 2.91Å; A25-F29 WeakPolarHBondContact O-CE2 3.45Å; A25-M67 HydrophobicContact CB-CE 3.84Å
26F82.3Confident82.2Confident0 Ų070.1 Ų70.10%037%0.368CS..Hα-helixtrans-103.1-16.3-173.1-75.7-81.6000114.8V10 L22 H23 P28 F29 I32 I52 F54 A63 M67 V79V10-F26 HydrophobicContact CG2-CE2 4.41Å; V10-F26 HydrophobicContact CG2-CZ 3.93Å; L22-F26 HydrophobicContact CD2-CD2 4.22Å; L22-F26 HydrophobicContact CD2-CE2 3.78Å; L22-F26 VanDerWaalsContact O-CD2 3.25Å; L22-F26 WeakPolarHBondContact O-CD2 3.23Å; L22-F26 PolarHBondContact O-N 3.5Å; H23-F26 PolarHBondContact O-N 3.18Å; F26-P28 VanDerWaalsContact C-N 3.33Å; F26-F29 PolarHBondContact O-N 2.98Å; F26-F29 VanDerWaalsContact O-N 3.1Å; F26-I32 HydrophobicContact CB-CD1 3.59Å; F26-I32 HydrophobicContact CB-CG1 4.44Å; F26-I52 HydrophobicContact CD1-CD1 4.19Å; F26-I52 HydrophobicContact CD2-CD1 3.36Å; F26-I52 HydrophobicContact CE1-CD1 4.21Å; F26-I52 HydrophobicContact CE2-CD1 3.43Å; F26-I52 VanDerWaalsContact CE2-CD1 3.43Å; F26-I52 HydrophobicContact CG-CD1 3.78Å; F26-I52 HydrophobicContact CZ-CD1 3.86Å; F26-F54 HydrophobicContact CB-CZ 4.09Å; F26-F54 HydrophobicContact CD1-CE2 4.43Å; F26-F54 AromaticContact CD1-CZ 3.93Å; F26-F54 HydrophobicContact CD1-CZ 3.93Å; F26-F54 HydrophobicContact CG-CZ 4.39Å; F26-A63 HydrophobicContact CD1-CB 4.26Å; F26-A63 HydrophobicContact CE1-CB 4.34Å; F26-M67 HydrophobicContact CD2-CE 4.47Å; F26-M67 HydrophobicContact CE1-CB 4.21Å; F26-M67 HydrophobicContact CE1-CE 4.19Å; F26-M67 HydrophobicContact CE1-CG 4.02Å; F26-M67 HydrophobicContact CE2-CE 4.11Å; F26-M67 HydrophobicContact CZ-CB 4.4Å; F26-M67 HydrophobicContact CZ-CE 3.97Å; F26-M67 HydrophobicContact CZ-CG 4.43Å; F26-V79 HydrophobicContact CZ-CG2 4.46Å
27I82.9Confident82.4Confident90 Ų9064.8 Ų64.846%0.46234%0.344SS..G310 helixtrans-48.9-41.7171.5-76.1157.1000114.2H23 F29 G30H23-I27 WeakPolarHBondContact CE1-CD1 3.39Å; H23-I27 WeakPolarHBondContact ND1-CD1 3.48Å; H23-I27 WeakPolarHBondContact O-CD1 3.25Å; H23-I27 WeakPolarHBondContact O-CG1 3.3Å; H23-I27 PolarHBondContact O-N 3.13Å; I27-F29 PolarHBondContact O-N 3.24Å; I27-F29 VanDerWaalsContact O-N 3.14Å; I27-G30 PolarHBondContact O-N 2.84Å
28P85.8Confident82.3Confident100 Ų10066.7 Ų66.765%0.64936%0.356SS*.G310 helixtrans-65.6-17.8-177.3-2234.2000114.1F26F26-P28 VanDerWaalsContact C-N 3.33Å
29F80.6Confident81.9Confident54 Ų5467 Ų6724%0.23736%0.358CS..G310 helixtrans-102.3-17.5-173.2-56.7-75.1000113.3A25 F26 I27 D59 A63 N66 M67A25-F29 WeakPolarHBondContact O-CE2 3.45Å; F26-F29 PolarHBondContact O-N 2.98Å; F26-F29 VanDerWaalsContact O-N 3.1Å; I27-F29 PolarHBondContact O-N 3.24Å; I27-F29 VanDerWaalsContact O-N 3.14Å; F29-D59 WeakPolarHBondContact O-CB 3.5Å; F29-A63 HydrophobicContact CB-CB 4.04Å; F29-A63 HydrophobicContact CG-CB 4.41Å; F29-N66 HydrophobicContact CD1-CB 4.45Å; F29-N66 HydrophobicContact CE1-CB 3.63Å; F29-N66 HydrophobicContact CZ-CB 4.04Å; F29-M67 HydrophobicContact CD2-CG 4.37Å; F29-M67 HydrophobicContact CE2-CE 4.23Å; F29-M67 HydrophobicContact CE2-CG 3.79Å; F29-M67 HydrophobicContact CE2-SD 3.83Å; F29-M67 HydrophobicContact CZ-CG 4.08Å; F29-M67 HydrophobicContact CZ-SD 4.13Å
30G82.2Confident81.5Confident12 Ų1264.7 Ų64.712%0.12435%0.349CS..  trans164.7170.6175.800000113.6I27I27-G30 PolarHBondContact O-N 2.84Å
31D81.3Confident80.4Confident115 Ų11566.9 Ų66.962%0.61535%0.354SS*.  trans-78.1124.8176.8-69.6-47.4000110.7E55D31-E55 PolarHBondContact O-N 2.96Å; D31-E55 VanDerWaalsContact O-N 3.09Å
32I84.6Confident79.4Confident34 Ų3472.1 Ų72.117%0.17438%0.375CS..EExtended strand (participates in β ladder)trans-94.2129.9-175.9-53.3168.9000109F26 I35 I52 F54F26-I32 HydrophobicContact CB-CD1 3.59Å; F26-I32 HydrophobicContact CB-CG1 4.44Å; I32-I35 HydrophobicContact CD1-CD1 4.22Å; I32-I35 HydrophobicContact CG2-CD1 4.09Å; I32-I35 HydrophobicContact CG2-CG1 3.58Å; I32-I52 HydrophobicContact CD1-CG2 4.45Å; I32-I52 HydrophobicContact CG1-CG2 4.31Å; I32-I52 HydrophobicContact CG2-CG2 3.73Å; I32-F54 HydrophobicContact CG1-CD1 4.41Å; I32-F54 HydrophobicContact CG1-CE1 3.95Å; I32-F54 HydrophobicContact CG1-CZ 4.32Å
33I83.3Confident78.6Confident102 Ų10275.8 Ų75.852%0.52340%0.398SS..EExtended strand (participates in β ladder)trans-87.1-48.7176.6-64.2176.5000110.7E53 E55I33-E53 HydrophobicContact CB-CG 4.34Å; I33-E53 PolarHBondContact N-O 2.92Å; I33-E55 HydrophobicContact CD1-CB 4.04Å; I33-E55 HydrophobicContact CD1-CG 4.42Å; I33-E55 HydrophobicContact CG1-CB 4.16Å
34D78.2Confident77.6Confident64 Ų6480.2 Ų80.234%0.34242%0.419SS..EExtended strand (participates in β ladder)trans-147.1144-174.5-166.828000111.2Q36 E53D34-Q36 WeakPolarHBondContact OD2-CG 3.49Å; D34-Q36 PolarHBondContact OD2-NE2 3.12Å; D34-E53 HydrophobicContact CB-CB 4.33Å; D34-E53 PolarHBondContact O-N 3.24Å
35I82.2Confident76.9Confident16 Ų1681.8 Ų81.88%0.08241%0.414CS..EExtended strand (participates in β ladder)trans-126.2114.9174.6-57.4176.7000107.7E19 L22 H23 I32 I37 F51E19-I35 HydrophobicContact CG-CB 4.07Å; E19-I35 HydrophobicContact CG-CD1 4.23Å; E19-I35 HydrophobicContact CG-CG2 4.03Å; L22-I35 HydrophobicContact CD1-CG2 4.39Å; H23-I35 HydrophobicContact CB-CD1 3.92Å; I32-I35 HydrophobicContact CD1-CD1 4.22Å; I32-I35 HydrophobicContact CG2-CD1 4.09Å; I32-I35 HydrophobicContact CG2-CG1 3.58Å; I35-I37 HydrophobicContact CG2-CD1 4.42Å; I35-I37 HydrophobicContact CG2-CG1 4.07Å; I35-F51 WeakPolarHBondContact CA-O 3.5Å
36Q79.8Confident76.7Confident111 Ų11181.7 Ų81.752%0.51941%0.409SS..EExtended strand (participates in β ladder)trans-108.7115.6177.8-65.3-177-0.400110.3D34 P38 A50 F51D34-Q36 WeakPolarHBondContact OD2-CG 3.49Å; D34-Q36 PolarHBondContact OD2-NE2 3.12Å; Q36-P38 WeakPolarHBondContact O-CD 3.28Å; Q36-A50 CarbonylContact O-C 3.58Å; Q36-A50 WeakPolarHBondContact O-CA 3.24Å; Q36-F51 HydrophobicContact CB-CB 4.3Å; Q36-F51 PolarHBondContact N-O 2.77Å; Q36-F51 PolarHBondContact O-N 3.34Å
37I82.8Confident76Confident35 Ų3589.2 Ų89.218%0.17944%0.437CS..  trans-112.7103.5173.5-52.5178.5000107.6E19 L22 I35 L39 H46 A50E19-I37 HydrophobicContact CB-CD1 3.91Å; L22-I37 HydrophobicContact CD1-CD1 3.75Å; L22-I37 HydrophobicContact CD1-CG1 4.16Å; I35-I37 HydrophobicContact CG2-CD1 4.42Å; I35-I37 HydrophobicContact CG2-CG1 4.07Å; I37-L39 PolarHBondContact O-N 3.3Å; I37-H46 HydrophobicContact CG2-CB 3.24Å; I37-A50 HydrophobicContact CG1-CB 4Å
38P77.1Confident75.8Confident41 Ų4185.9 Ų85.927%0.26643%0.425SS..  trans-63.7105.4173.6-26.839000110.5Q36 R47 F49 F51Q36-P38 WeakPolarHBondContact O-CD 3.28Å; P38-R47 PolarHBondContact O-N 3.26Å; P38-R47 VanDerWaalsContact O-N 3.11Å; P38-F49 HydrophobicContact CB-CE2 4.22Å; P38-F49 HydrophobicContact CB-CZ 4.31Å; P38-F49 HydrophobicContact CG-CD2 4.39Å; P38-F49 HydrophobicContact CG-CE2 3.72Å; P38-F49 HydrophobicContact CG-CZ 4.3Å; P38-F51 HydrophobicContact CG-CD2 4.49Å; P38-F51 HydrophobicContact CG-CE2 4.32Å
39L74.7Confident75.7Confident119 Ų11982.9 Ų82.962%0.62340%0.402SS*.EExtended strand (participates in β ladder)trans-80.3137.9173.9-65.7165.7000109.7I37 H46I37-L39 PolarHBondContact O-N 3.3Å; L39-H46 HydrophobicContact CD2-CB 3.97Å
40D72.8Confident75.9Confident63 Ų6380.3 Ų80.334%0.33739%0.391SS..EExtended strand (participates in β ladder)trans-86.7115.2170-162.8-16.1000109.1E42 T43 E44 K45 R47D40-E42 PolarHBondContact O-N 2.88Å; D40-E42 PolarHBondContact OD1-N 3.35Å; D40-T43 PolarHBondContact O-N 2.98Å; D40-E44 PolarHBondContact O-N 2.77Å; D40-K45 PolarHBondContact N-O 3Å; D40-R47 HydrophobicContact CB-CG 4.07Å
41Y59.9Low76.2Confident228 Ų22882.8 Ų82.889%0.89440%0.398SS*.THydrogen-bonded Turntrans-67.6-14.6-173.8-170.7-100000113
42E63.9Low76.4Confident156 Ų15677.3 Ų77.373%0.72937%0.369SS*.THydrogen-bonded Turntrans-86.9-22.1176.6-70.6-178.6162.200113.4D40D40-E42 PolarHBondContact O-N 2.88Å; D40-E42 PolarHBondContact OD1-N 3.35Å
43T65.9Low76.4Confident78 Ų7878.9 Ų78.948%0.47938%0.376SS..THydrogen-bonded Turntrans-120.8-2.3-175.260.80000113.8D40 K45D40-T43 PolarHBondContact O-N 2.98Å; T43-K45 WeakPolarHBondContact O-CD 3.39Å; T43-K45 VanDerWaalsContact O-CG 3.29Å; T43-K45 WeakPolarHBondContact O-CG 3.11Å; T43-K45 PolarHBondContact O-N 2.78Å
44E62.3Low76.5Confident181 Ų18174 Ų7485%0.84635%0.351SS*.THydrogen-bonded Turntrans52.316.8-170.9-68.9-175.814800113.5D40D40-E44 PolarHBondContact O-N 2.77Å
45K70.9Confident76.7Confident96 Ų9676.1 Ų76.142%0.41736%0.359SS..EExtended strand (participates in β ladder)trans-114.3149.6-174.7-71.9159.6-179.4-1660110.1E15 D40 T43E15-K45 HydrophobicContact CG-CB 4.32Å; E15-K45 HydrophobicContact CG-CD 3.9Å; E15-K45 HydrophobicContact CG-CG 4.03Å; E15-K45 WeakPolarHBondContact OE1-CD 3.44Å; E15-K45 WeakPolarHBondContact OE1-CE 3.43Å; E15-K45 IonicContact OE1-NZ 2.59Å; E15-K45 PolarHBondContact OE1-NZ 3.12Å; D40-K45 PolarHBondContact N-O 3Å; T43-K45 WeakPolarHBondContact O-CD 3.39Å; T43-K45 VanDerWaalsContact O-CG 3.29Å; T43-K45 WeakPolarHBondContact O-CG 3.11Å; T43-K45 PolarHBondContact O-N 2.78Å
46H77Confident76.7Confident20 Ų2079.6 Ų79.69%0.09338%0.377CS..EExtended strand (participates in β ladder)trans-76147.2177.961.985.8000111.2A14 E15 V17 I37 L39 G48A14-H46 PolarHBondContact O-CE1 2.94Å; A14-H46 PolarHBondContact O-NE2 3.35Å; E15-H46 WeakPolarHBondContact CA-NE2 3.45Å; E15-H46 PolarHBondContact O-NE2 2.87Å; V17-H46 PolarHBondContact N-NE2 2.83Å; V17-H46 PolarHBondContact O-CD2 3.36Å; V17-H46 PolarHBondContact O-NE2 3.12Å; I37-H46 HydrophobicContact CG2-CB 3.24Å; L39-H46 HydrophobicContact CD2-CB 3.97Å; H46-G48 PolarHBondContact ND1-N 2.74Å; H46-G48 PolarHBondContact O-N 3.13Å
47R68.4Low76.7Confident158 Ų15875.7 Ų75.760%0.59637%0.366SS*.  trans-72.119.7-175.2-65.1177.263.1-168.1-0.8114.7P38 D40 F49P38-R47 PolarHBondContact O-N 3.26Å; P38-R47 VanDerWaalsContact O-N 3.11Å; D40-R47 HydrophobicContact CB-CG 4.07Å; R47-F49 VanDerWaalsContact C-N 3.27Å; R47-F49 HydrophobicContact CB-CD1 3.92Å; R47-F49 HydrophobicContact CB-CE1 3.41Å; R47-F49 VanDerWaalsContact CB-CE1 3.41Å; R47-F49 HydrophobicContact CB-CZ 4.07Å; R47-F49 HydrophobicContact CG-CE1 4.48Å; R47-F49 WeakPolarHBondContact O-CD1 3.33Å; R47-F49 PolarHBondContact O-N 3.02Å
48G77.8Confident76.7Confident20 Ų2081.6 Ų81.621%0.20639%0.393CS..SBendtrans71.215.2-179.500000115G12 L13 H46G12-G48 PolarHBondContact N-O 3.26Å; L13-G48 PolarHBondContact N-O 3.28Å; H46-G48 PolarHBondContact ND1-N 2.74Å; H46-G48 PolarHBondContact O-N 3.13Å
49F83.6Confident77.1Confident37 Ų3781.6 Ų81.616%0.16239%0.391CS..EExtended strand (participates in β ladder)trans-144.2154.2172.263.5-89.9000111.6Y9 V10 P38 R47 F51Y9-F49 HydrophobicContact CE2-CB 3.71Å; Y9-F49 AromaticContact CE2-CD2 3.89Å; Y9-F49 HydrophobicContact CE2-CD2 3.89Å; Y9-F49 AromaticContact CE2-CG 3.96Å; Y9-F49 HydrophobicContact CE2-CG 3.96Å; V10-F49 CarbonylContact O-C 3.45Å; V10-F49 WeakPolarHBondContact O-CA 3.34Å; V10-F49 WeakPolarHBondContact O-CB 3.31Å; P38-F49 HydrophobicContact CB-CE2 4.22Å; P38-F49 HydrophobicContact CB-CZ 4.31Å; P38-F49 HydrophobicContact CG-CD2 4.39Å; P38-F49 HydrophobicContact CG-CE2 3.72Å; P38-F49 HydrophobicContact CG-CZ 4.3Å; R47-F49 VanDerWaalsContact C-N 3.27Å; R47-F49 HydrophobicContact CB-CD1 3.92Å; R47-F49 HydrophobicContact CB-CE1 3.41Å; R47-F49 VanDerWaalsContact CB-CE1 3.41Å; R47-F49 HydrophobicContact CB-CZ 4.07Å; R47-F49 HydrophobicContact CG-CE1 4.48Å; R47-F49 WeakPolarHBondContact O-CD1 3.33Å; R47-F49 PolarHBondContact O-N 3.02Å; F49-F51 AromaticContact CD2-CE2 3.91Å; F49-F51 HydrophobicContact CD2-CE2 3.91Å; F49-F51 HydrophobicContact CD2-CZ 4.26Å; F49-F51 AromaticContact CE2-CE2 3.79Å; F49-F51 HydrophobicContact CE2-CE2 3.79Å; F49-F51 HydrophobicContact CE2-CZ 4.24Å
50A85.7Confident77.4Confident0 Ų076 Ų760%036%0.362CS..EExtended strand (participates in β ladder)trans-138.8157.7178.400000110.3V10 L13 L22 Q36 I37V10-A50 PolarHBondContact N-O 3.43Å; V10-A50 PolarHBondContact O-N 3.5Å; L13-A50 HydrophobicContact CD1-CB 3.57Å; L22-A50 HydrophobicContact CD1-CB 3.7Å; Q36-A50 CarbonylContact O-C 3.58Å; Q36-A50 WeakPolarHBondContact O-CA 3.24Å; I37-A50 HydrophobicContact CG1-CB 4Å
51F87.5Confident77.9Confident64 Ų6475.2 Ų75.228%0.28136%0.364SS..EExtended strand (participates in β ladder)trans-114.7135.1169.5-58.9-85.4000109.2V7 L8 Y9 I35 Q36 P38 F49 A82V7-F51 HydrophobicContact CG1-CB 4.32Å; V7-F51 HydrophobicContact CG1-CD1 4.48Å; L8-F51 VanDerWaalsContact O-CA 3.29Å; L8-F51 WeakPolarHBondContact O-CA 3.23Å; Y9-F51 HydrophobicContact CD2-CD1 4.16Å; Y9-F51 AromaticContact CD2-CE1 3.55Å; Y9-F51 HydrophobicContact CD2-CE1 3.55Å; Y9-F51 AromaticContact CD2-CZ 3.94Å; Y9-F51 HydrophobicContact CD2-CZ 3.94Å; Y9-F51 HydrophobicContact CE2-CE1 4.41Å; Y9-F51 HydrophobicContact CE2-CZ 4.36Å; Y9-F51 HydrophobicContact CG-CE1 4.41Å; I35-F51 WeakPolarHBondContact CA-O 3.5Å; Q36-F51 HydrophobicContact CB-CB 4.3Å; Q36-F51 PolarHBondContact N-O 2.77Å; Q36-F51 PolarHBondContact O-N 3.34Å; P38-F51 HydrophobicContact CG-CD2 4.49Å; P38-F51 HydrophobicContact CG-CE2 4.32Å; F49-F51 AromaticContact CD2-CE2 3.91Å; F49-F51 HydrophobicContact CD2-CE2 3.91Å; F49-F51 HydrophobicContact CD2-CZ 4.26Å; F49-F51 AromaticContact CE2-CE2 3.79Å; F49-F51 HydrophobicContact CE2-CE2 3.79Å; F49-F51 HydrophobicContact CE2-CZ 4.24Å; F51-A82 HydrophobicContact CD1-CB 4.3Å
52I86.2Confident79.1Confident0 Ų066.3 Ų66.30%034%0.338CS..EExtended strand (participates in β ladder)trans-125.2126.3-179.8-56178.7000107.7V7 L8 V10 F26 I32 F54V7-I52 CarbonylContact C-O 3.56Å; V7-I52 WeakPolarHBondContact CA-O 3.47Å; L8-I52 PolarHBondContact N-O 3.01Å; L8-I52 PolarHBondContact O-N 2.82Å; V10-I52 HydrophobicContact CG2-CD1 3.83Å; V10-I52 HydrophobicContact CG2-CG1 4.28Å; F26-I52 HydrophobicContact CD1-CD1 4.19Å; F26-I52 HydrophobicContact CD2-CD1 3.36Å; F26-I52 HydrophobicContact CE1-CD1 4.21Å; F26-I52 HydrophobicContact CE2-CD1 3.43Å; F26-I52 VanDerWaalsContact CE2-CD1 3.43Å; F26-I52 HydrophobicContact CG-CD1 3.78Å; F26-I52 HydrophobicContact CZ-CD1 3.86Å; I32-I52 HydrophobicContact CD1-CG2 4.45Å; I32-I52 HydrophobicContact CG1-CG2 4.31Å; I32-I52 HydrophobicContact CG2-CG2 3.73Å; I52-F54 HydrophobicContact CB-CE2 4.37Å; I52-F54 HydrophobicContact CG2-CD2 4.1Å; I52-F54 HydrophobicContact CG2-CE2 3.61Å; I52-F54 HydrophobicContact CG2-CZ 4.1Å
53E84.9Confident80.1Confident68 Ų6858.9 Ų58.932%0.31830%0.303SS..EExtended strand (participates in β ladder)trans-103.4121.4175-174.3169.5-167.800110.4V7 I33 D34V7-E53 HydrophobicContact CG2-CB 4.35Å; V7-E53 HydrophobicContact CG2-CG 4.17Å; I33-E53 HydrophobicContact CB-CG 4.34Å; I33-E53 PolarHBondContact N-O 2.92Å; D34-E53 HydrophobicContact CB-CB 4.33Å; D34-E53 PolarHBondContact O-N 3.24Å
54F84.9Confident81Confident0 Ų056.2 Ų56.20%029%0.285CS..EExtended strand (participates in β ladder)trans-96.5150.8174.8-76.3-88000111.5R6 L8 F26 I32 I52 L56 D59 A60 A63R6-F54 PolarHBondContact O-N 2.8Å; L8-F54 HydrophobicContact CD1-CD2 4.05Å; L8-F54 HydrophobicContact CD1-CE2 3.61Å; L8-F54 HydrophobicContact CG-CD2 4.24Å; L8-F54 HydrophobicContact CG-CE2 4.22Å; F26-F54 HydrophobicContact CB-CZ 4.09Å; F26-F54 HydrophobicContact CD1-CE2 4.43Å; F26-F54 AromaticContact CD1-CZ 3.93Å; F26-F54 HydrophobicContact CD1-CZ 3.93Å; F26-F54 HydrophobicContact CG-CZ 4.39Å; I32-F54 HydrophobicContact CG1-CD1 4.41Å; I32-F54 HydrophobicContact CG1-CE1 3.95Å; I32-F54 HydrophobicContact CG1-CZ 4.32Å; I52-F54 HydrophobicContact CB-CE2 4.37Å; I52-F54 HydrophobicContact CG2-CD2 4.1Å; I52-F54 HydrophobicContact CG2-CE2 3.61Å; I52-F54 HydrophobicContact CG2-CZ 4.1Å; F54-L56 VanDerWaalsContact C-N 3.34Å; F54-L56 WeakPolarHBondContact CB-O 3.37Å; F54-D59 HydrophobicContact CD1-CB 4.18Å; F54-A60 HydrophobicContact CB-CB 4.3Å; F54-A60 HydrophobicContact CD2-CB 4.12Å; F54-A60 HydrophobicContact CG-CB 4.42Å; F54-A63 HydrophobicContact CE2-CB 4.26Å; F54-A63 HydrophobicContact CZ-CB 4.12Å
55E82.6Confident82Confident108 Ų10854 Ų5451%0.50528%0.28SS..SBendtrans-63-43.2173.1-173.8172.2-160.100111.9D31 I33D31-E55 PolarHBondContact O-N 2.96Å; D31-E55 VanDerWaalsContact O-N 3.09Å; I33-E55 HydrophobicContact CD1-CB 4.04Å; I33-E55 HydrophobicContact CD1-CG 4.42Å; I33-E55 HydrophobicContact CG1-CB 4.16Å
56L83Confident82.6Confident88 Ų8854.5 Ų54.546%0.46129%0.287SS..  trans-109.1140.9-179.4-59.8175.5000111.5F54 E58 D59 A60F54-L56 VanDerWaalsContact C-N 3.34Å; F54-L56 WeakPolarHBondContact CB-O 3.37Å; L56-E58 VanDerWaalsContact C-N 3.33Å; L56-D59 HydrophobicContact CB-CB 4.28Å; L56-A60 PolarHBondContact O-N 3.46Å
57G79.6Confident82.9Confident29 Ų2954.5 Ų54.530%0.29929%0.287SS..Hα-helixtrans-78-17.7177.100000113.9A61G57-A61 PolarHBondContact O-N 2.97Å
58E82.7Confident83.6Confident159 Ų15950.1 Ų50.174%0.74328%0.276SS*.Hα-helixtrans-74-42.7174.2-67.7-179.3124.800110.4L56 A60 A61 A62L56-E58 VanDerWaalsContact C-N 3.33Å; E58-A60 VanDerWaalsContact C-N 3.3Å; E58-A60 PolarHBondContact O-N 3.33Å; E58-A61 WeakPolarHBondContact O-CB 3.32Å; E58-A61 PolarHBondContact O-N 3.03Å; E58-A62 PolarHBondContact O-N 2.93Å
59D84.8Confident83.7Confident41 Ų4156.2 Ų56.222%0.21930%0.299CS..Hα-helixtrans-59.7-41173.8-63.2-0.9000111.6F29 F54 L56 A61 A62 A63F29-D59 WeakPolarHBondContact O-CB 3.5Å; F54-D59 HydrophobicContact CD1-CB 4.18Å; L56-D59 HydrophobicContact CB-CB 4.28Å; D59-A61 VanDerWaalsContact C-N 3.28Å; D59-A61 PolarHBondContact O-N 3.27Å; D59-A62 PolarHBondContact O-N 2.9Å; D59-A63 WeakPolarHBondContact O-CB 3.32Å; D59-A63 PolarHBondContact O-N 2.91Å
60A81.8Confident83.5Confident1 Ų156 Ų561%0.00830%0.301CS..Hα-helixtrans-60.7-35.917500000112.6L8 F54 L56 E58 I64L8-A60 HydrophobicContact CD1-CB 4.37Å; L8-A60 WeakPolarHBondContact CD1-O 3.38Å; L8-A60 HydrophobicContact CD2-CB 3.95Å; L8-A60 HydrophobicContact CG-CB 4.14Å; F54-A60 HydrophobicContact CB-CB 4.3Å; F54-A60 HydrophobicContact CD2-CB 4.12Å; F54-A60 HydrophobicContact CG-CB 4.42Å; L56-A60 PolarHBondContact O-N 3.46Å; E58-A60 VanDerWaalsContact C-N 3.3Å; E58-A60 PolarHBondContact O-N 3.33Å; A60-I64 WeakPolarHBondContact O-CD1 3.12Å; A60-I64 VanDerWaalsContact O-CG1 3.31Å; A60-I64 WeakPolarHBondContact O-CG1 3.36Å; A60-I64 PolarHBondContact O-N 3.34Å
61A83.3Confident83.1Confident47 Ų4763.5 Ų63.539%0.38834%0.336SS..Hα-helixtrans-72.3-42.8176.600000111.9G57 E58 D59 A63 I64 D65G57-A61 PolarHBondContact O-N 2.97Å; E58-A61 WeakPolarHBondContact O-CB 3.32Å; E58-A61 PolarHBondContact O-N 3.03Å; D59-A61 VanDerWaalsContact C-N 3.28Å; D59-A61 PolarHBondContact O-N 3.27Å; A61-A63 VanDerWaalsContact C-N 3.29Å; A61-A63 PolarHBondContact O-N 3.12Å; A61-I64 PolarHBondContact O-N 3.17Å; A61-I64 VanDerWaalsContact O-N 3.15Å; A61-D65 PolarHBondContact O-N 2.78Å; A61-D65 VanDerWaalsContact O-N 3.12Å
62A83.8Confident82.6Confident41 Ų4161.7 Ų61.734%0.33933%0.33SS..Hα-helixtrans-62.1-37175.500000112.2E58 D59 N66E58-A62 PolarHBondContact O-N 2.93Å; D59-A62 PolarHBondContact O-N 2.9Å; A62-N66 PolarHBondContact O-N 2.9Å; A62-N66 PolarHBondContact O-ND2 3.27Å
63A84.5Confident81.6Confident0 Ų067 Ų670%035%0.353CS..Hα-helixtrans-65.4-38.3174.300000112.1L8 F26 F29 F54 D59 A61 M67L8-A63 HydrophobicContact CD1-CB 3.79Å; F26-A63 HydrophobicContact CD1-CB 4.26Å; F26-A63 HydrophobicContact CE1-CB 4.34Å; F29-A63 HydrophobicContact CB-CB 4.04Å; F29-A63 HydrophobicContact CG-CB 4.41Å; F54-A63 HydrophobicContact CE2-CB 4.26Å; F54-A63 HydrophobicContact CZ-CB 4.12Å; D59-A63 WeakPolarHBondContact O-CB 3.32Å; D59-A63 PolarHBondContact O-N 2.91Å; A61-A63 VanDerWaalsContact C-N 3.29Å; A61-A63 PolarHBondContact O-N 3.12Å; A63-M67 WeakPolarHBondContact O-CB 3.27Å; A63-M67 WeakPolarHBondContact O-CG 3.5Å; A63-M67 PolarHBondContact O-N 3.29Å
64I85.9Confident80.9Confident22 Ų2267.4 Ų67.411%0.11338%0.375CS..Hα-helixtrans-63.6-50176.2-68.9157.6000111.1L8 A60 A61 N66 M67 N68 V79 I81L8-I64 HydrophobicContact CD1-CG1 4.14Å; L8-I64 HydrophobicContact CD2-CD1 3.41Å; L8-I64 VanDerWaalsContact CD2-CD1 3.41Å; L8-I64 HydrophobicContact CD2-CG1 3.61Å; A60-I64 WeakPolarHBondContact O-CD1 3.12Å; A60-I64 VanDerWaalsContact O-CG1 3.31Å; A60-I64 WeakPolarHBondContact O-CG1 3.36Å; A60-I64 PolarHBondContact O-N 3.34Å; A61-I64 PolarHBondContact O-N 3.17Å; A61-I64 VanDerWaalsContact O-N 3.15Å; I64-N66 VanDerWaalsContact C-N 3.26Å; I64-N66 PolarHBondContact O-N 3.42Å; I64-M67 PolarHBondContact O-N 3.14Å; I64-N68 HydrophobicContact CG2-CB 4.5Å; I64-N68 WeakPolarHBondContact O-CB 3.38Å; I64-N68 PolarHBondContact O-N 2.76Å; I64-V79 HydrophobicContact CG1-CG1 3.86Å; I64-I81 HydrophobicContact CD1-CB 4.48Å; I64-I81 HydrophobicContact CD1-CD1 4.09Å; I64-I81 HydrophobicContact CD1-CG1 3.3Å
65D83.8Confident80.5Confident136 Ų13674.5 Ų74.573%0.72740%0.402SS*.Hα-helixtrans-66.7-29.7-172.7-69.8-20.6000112.5A61A61-D65 PolarHBondContact O-N 2.78Å; A61-D65 VanDerWaalsContact O-N 3.12Å
66N83.2Confident80.3Confident105 Ų10573.1 Ų73.156%0.56140%0.401SS*.Hα-helixtrans-93.9-27.8-179.7-68.2-66.1000114.2F29 A62 I64F29-N66 HydrophobicContact CD1-CB 4.45Å; F29-N66 HydrophobicContact CE1-CB 3.63Å; F29-N66 HydrophobicContact CZ-CB 4.04Å; A62-N66 PolarHBondContact O-N 2.9Å; A62-N66 PolarHBondContact O-ND2 3.27Å; I64-N66 VanDerWaalsContact C-N 3.26Å; I64-N66 PolarHBondContact O-N 3.42Å
67M82.4Confident80.4Confident20 Ų2069 Ų6910%0.09938%0.379CS..Hα-helixtrans-106.4-14.7-174.2-63-73.9-97.100113.9A25 F26 F29 A63 I64 E69 S70 I77 V79A25-M67 HydrophobicContact CB-CE 3.84Å; F26-M67 HydrophobicContact CD2-CE 4.47Å; F26-M67 HydrophobicContact CE1-CB 4.21Å; F26-M67 HydrophobicContact CE1-CE 4.19Å; F26-M67 HydrophobicContact CE1-CG 4.02Å; F26-M67 HydrophobicContact CE2-CE 4.11Å; F26-M67 HydrophobicContact CZ-CB 4.4Å; F26-M67 HydrophobicContact CZ-CE 3.97Å; F26-M67 HydrophobicContact CZ-CG 4.43Å; F29-M67 HydrophobicContact CD2-CG 4.37Å; F29-M67 HydrophobicContact CE2-CE 4.23Å; F29-M67 HydrophobicContact CE2-CG 3.79Å; F29-M67 HydrophobicContact CE2-SD 3.83Å; F29-M67 HydrophobicContact CZ-CG 4.08Å; F29-M67 HydrophobicContact CZ-SD 4.13Å; A63-M67 WeakPolarHBondContact O-CB 3.27Å; A63-M67 WeakPolarHBondContact O-CG 3.5Å; A63-M67 PolarHBondContact O-N 3.29Å; I64-M67 PolarHBondContact O-N 3.14Å; M67-E69 PolarHBondContact O-N 3.09Å; M67-S70 PolarHBondContact O-N 3.22Å; M67-S70 PolarHBondContact O-OG 3.05Å; M67-S70 VanDerWaalsContact O-OG 3.06Å; M67-I77 HydrophobicContact CB-CD1 4.24Å; M67-I77 VanDerWaalsContact O-CD1 3.3Å; M67-I77 WeakPolarHBondContact O-CD1 3.32Å; M67-I77 WeakPolarHBondContact O-CG1 3.27Å; M67-V79 HydrophobicContact CB-CG2 3.9Å
68N82.9Confident80.6Confident67 Ų6776.1 Ų76.136%0.35840%0.397SS..THydrogen-bonded Turntrans-66.4125.8173.1-174.544.4000109.8I64 S70 V79I64-N68 HydrophobicContact CG2-CB 4.5Å; I64-N68 WeakPolarHBondContact O-CB 3.38Å; I64-N68 PolarHBondContact O-N 2.76Å; N68-S70 VanDerWaalsContact C-N 3.28Å; N68-S70 PolarHBondContact O-N 2.89Å; N68-V79 HydrophobicContact CB-CB 4.33Å; N68-V79 PolarHBondContact OD1-N 3.19Å; N68-V79 PolarHBondContact OD1-O 3.28Å
69E80.6Confident80.7Confident148 Ų14868.7 Ų68.769%0.69236%0.363SS*.THydrogen-bonded Turntrans72.111.9-175.2-49-176.9165.200115.3M67 I77M67-E69 PolarHBondContact O-N 3.09Å; E69-I77 VanDerWaalsContact CA-O 3.29Å; E69-I77 WeakPolarHBondContact CA-O 3.47Å; E69-I77 PolarHBondContact N-O 3.29Å
70S80.2Confident80.6Confident31 Ų3171.8 Ų71.822%0.21738%0.379CS..  trans-72.9154.1170.276.50000111.7M67 N68 T76 I77M67-S70 PolarHBondContact O-N 3.22Å; M67-S70 PolarHBondContact O-OG 3.05Å; M67-S70 VanDerWaalsContact O-OG 3.06Å; N68-S70 VanDerWaalsContact C-N 3.28Å; N68-S70 PolarHBondContact O-N 2.89Å; S70-T76 WeakPolarHBondContact O-CA 3.48Å; S70-I77 VanDerWaalsContact O-CG1 3.26Å; S70-I77 WeakPolarHBondContact O-CG1 3.39Å; S70-I77 PolarHBondContact O-N 3.45Å; S70-I77 WeakPolarHBondContact OG-CD1 3.43Å; S70-I77 VanDerWaalsContact OG-CG1 3.31Å; S70-I77 WeakPolarHBondContact OG-CG1 3.2Å
71E77.7Confident80.6Confident158 Ų15874.6 Ų74.674%0.73839%0.393SS*.EExtended strand (participates in β ladder)trans-92.5117.3178-67-173.8167.500110.4T76E71-T76 HydrophobicContact CG-CG2 4.33Å
72L75.3Confident80Confident26 Ų2673 Ų7314%0.13638%0.38CS..EExtended strand (participates in β ladder)trans-116.8118.3168.8-89.9158.8000108.1G74 R75 I77L72-G74 VanDerWaalsContact C-N 3.3Å; L72-G74 PolarHBondContact O-N 2.93Å; L72-R75 PolarHBondContact N-O 2.73Å; L72-R75 PolarHBondContact O-N 3.31Å; L72-R75 VanDerWaalsContact O-N 3.14Å; L72-R75 VanDerWaalsContact O-O 3.09Å; L72-I77 HydrophobicContact CB-CG2 3.99Å; L72-I77 HydrophobicContact CD1-CD1 3.66Å; L72-I77 HydrophobicContact CD1-CG1 4.14Å; L72-I77 HydrophobicContact CD1-CG2 4.03Å
73F66.7Low79Confident112 Ų11280.1 Ų80.149%0.49140%0.404SS..THydrogen-bonded Turntrans53.443.4178.3-64.8-95.9000113.4A14 V17 V21 R75A14-F73 HydrophobicContact CB-CB 3.69Å; V17-F73 HydrophobicContact CG2-CD2 3.64Å; V17-F73 HydrophobicContact CG2-CE2 4.08Å; V17-F73 HydrophobicContact CG2-CG 4.32Å; V21-F73 HydrophobicContact CG1-CE2 3.68Å; V21-F73 HydrophobicContact CG1-CZ 4.16Å; F73-R75 PolarHBondContact O-N 2.88Å
74G68.6Low77.4Confident76 Ų7685.3 Ų85.378%0.78444%0.437SS*.THydrogen-bonded Turntrans73.210.1176.600000114.8L72L72-G74 VanDerWaalsContact C-N 3.3Å; L72-G74 PolarHBondContact O-N 2.93Å
75R76.3Confident75.3Confident150 Ų15092.5 Ų92.557%0.56647%0.472SS*.EExtended strand (participates in β ladder)trans-122.8133.6174.2-130.8173.2-169.6165.55.2109.5A14 L72 F73 I77A14-R75 HydrophobicContact CB-CB 4.46Å; L72-R75 PolarHBondContact N-O 2.73Å; L72-R75 PolarHBondContact O-N 3.31Å; L72-R75 VanDerWaalsContact O-N 3.14Å; L72-R75 VanDerWaalsContact O-O 3.09Å; F73-R75 PolarHBondContact O-N 2.88Å; R75-I77 PolarHBondContact O-N 2.75Å
76T79.9Confident73.1Confident79 Ų7996.4 Ų96.449%0.48548%0.477SS..EExtended strand (participates in β ladder)trans-71.4122.7174.953.10000109.6S70 E71S70-T76 WeakPolarHBondContact O-CA 3.48Å; E71-T76 HydrophobicContact CG-CG2 4.33Å
77I85.4Confident71.3Confident0 Ų098.3 Ų98.30%049%0.486CS..  trans-86.2151.3174.156.9150.5000111.1V10 G11 L13 M67 E69 S70 L72 R75 V79V10-I77 HydrophobicContact CG1-CB 4.49Å; V10-I77 HydrophobicContact CG1-CD1 4.35Å; G11-I77 CarbonylContact O-C 3.58Å; G11-I77 WeakPolarHBondContact O-CA 3.37Å; L13-I77 HydrophobicContact CD2-CG2 4.18Å; M67-I77 HydrophobicContact CB-CD1 4.24Å; M67-I77 VanDerWaalsContact O-CD1 3.3Å; M67-I77 WeakPolarHBondContact O-CD1 3.32Å; M67-I77 WeakPolarHBondContact O-CG1 3.27Å; E69-I77 VanDerWaalsContact CA-O 3.29Å; E69-I77 WeakPolarHBondContact CA-O 3.47Å; E69-I77 PolarHBondContact N-O 3.29Å; S70-I77 VanDerWaalsContact O-CG1 3.26Å; S70-I77 WeakPolarHBondContact O-CG1 3.39Å; S70-I77 PolarHBondContact O-N 3.45Å; S70-I77 WeakPolarHBondContact OG-CD1 3.43Å; S70-I77 VanDerWaalsContact OG-CG1 3.31Å; S70-I77 WeakPolarHBondContact OG-CG1 3.2Å; L72-I77 HydrophobicContact CB-CG2 3.99Å; L72-I77 HydrophobicContact CD1-CD1 3.66Å; L72-I77 HydrophobicContact CD1-CG1 4.14Å; L72-I77 HydrophobicContact CD1-CG2 4.03Å; R75-I77 PolarHBondContact O-N 2.75Å; I77-V79 HydrophobicContact CD1-CG2 3.84Å
78R82.6Confident69.2Low179 Ų179105.9 Ų105.968%0.67552%0.518SS*.EExtended strand (participates in β ladder)trans-119.2115.8175.3-69.1-176177.1-179.8-1.1108.7V10 G11V10-R78 CarbonylContact C-O 3.59Å; V10-R78 WeakPolarHBondContact CA-O 3.45Å; G11-R78 PolarHBondContact N-O 3.45Å; G11-R78 PolarHBondContact O-N 2.77Å
79V85.6Confident67Low4 Ų4111.7 Ų111.72%0.02454%0.543CS..EExtended strand (participates in β ladder)trans-107.8123.9178.5-170.30000108.1L8 Y9 V10 F26 I64 M67 N68 I77L8-V79 HydrophobicContact CB-CG1 4.25Å; L8-V79 HydrophobicContact CD1-CG1 3.91Å; Y9-V79 CarbonylContact O-C 3.56Å; Y9-V79 WeakPolarHBondContact O-CA 3.21Å; V10-V79 HydrophobicContact CG1-CG2 4.33Å; V10-V79 HydrophobicContact CG2-CG1 4.27Å; V10-V79 HydrophobicContact CG2-CG2 4.26Å; F26-V79 HydrophobicContact CZ-CG2 4.46Å; I64-V79 HydrophobicContact CG1-CG1 3.86Å; M67-V79 HydrophobicContact CB-CG2 3.9Å; N68-V79 HydrophobicContact CB-CB 4.33Å; N68-V79 PolarHBondContact OD1-N 3.19Å; N68-V79 PolarHBondContact OD1-O 3.28Å; I77-V79 HydrophobicContact CD1-CG2 3.84Å
80N82.1Confident65Low105 Ų105108.2 Ų108.256%0.56155%0.547SS*.EExtended strand (participates in β ladder)trans-138158.8177.6-158.7-12.9000109.9Y9 A82Y9-N80 PolarHBondContact N-O 2.88Å; Y9-N80 PolarHBondContact O-N 2.92Å; N80-A82 PolarHBondContact O-N 2.93Å
81I82.5Confident62.9Low60 Ų60111.7 Ų111.731%0.30857%0.572SS.*EExtended strand (participates in β ladder)trans-63.1121.5172.1-59.9176.6000107.7K5 I64 K83K5-I81 HydrophobicContact CB-CG2 3.73Å; K5-I81 HydrophobicContact CD-CD1 3.76Å; K5-I81 HydrophobicContact CD-CG2 3.94Å; K5-I81 HydrophobicContact CG-CG2 3.82Å; I64-I81 HydrophobicContact CD1-CB 4.48Å; I64-I81 HydrophobicContact CD1-CD1 4.09Å; I64-I81 HydrophobicContact CD1-CG1 3.3Å; I81-K83 PolarHBondContact O-N 2.8Å
82A70.9Confident61.4Low13 Ų13109.7 Ų109.711%0.10758%0.575CS.*PPolyproline II helixtrans-64.5131.2175.400000108.5V7 F51 N80V7-A82 HydrophobicContact CB-CB 4.01Å; V7-A82 HydrophobicContact CG1-CB 3.72Å; V7-A82 VanDerWaalsContact O-CB 3.28Å; V7-A82 WeakPolarHBondContact O-CB 3.47Å; V7-A82 PolarHBondContact O-N 3.4Å; F51-A82 HydrophobicContact CD1-CB 4.3Å; N80-A82 PolarHBondContact O-N 2.93Å
83K62.6Low59.7Low192 Ų192118.7 Ų118.784%0.83561%0.607SS**PPolyproline II helixtrans-61.8129.1167.5-71177.3-178.6171.70106.4I81 M85I81-K83 PolarHBondContact O-N 2.8Å; K83-M85 PolarHBondContact O-N 2.89Å
84P49.3Very low58.5Low109 Ų109118.5 Ų118.571%0.70862%0.617SS**PPolyproline II helixtrans-54.1138.8173.224.7-33000107.1R86P84-R86 VanDerWaalsContact C-N 3.26Å; P84-R86 PolarHBondContact O-N 2.78Å
85M43.4Very low57.1Low172 Ų172122 Ų12285%0.84762%0.623SS**  trans-55.393.5-179.9-162.9163.7112.100108.3K83 I87K83-M85 PolarHBondContact O-N 2.89Å; M85-I87 HydrophobicContact CE-CG1 4.49Å; M85-I87 PolarHBondContact O-N 3.24Å
86R36.7Very low55.6Low218 Ų218125.7 Ų125.782%0.82364%0.637SS**  trans-69.293.9166.7-85-178.981.9170.64104.1P84 K88P84-R86 VanDerWaalsContact C-N 3.26Å; P84-R86 PolarHBondContact O-N 2.78Å; R86-K88 PolarHBondContact O-N 2.93Å
87I46.2Very low53.7Low145 Ų145126.8 Ų126.874%0.74465%0.648SS**  trans-50.9103.6147.2-63.8167.7000103.9M85 E89M85-I87 HydrophobicContact CE-CG1 4.49Å; M85-I87 PolarHBondContact O-N 3.24Å; I87-E89 VanDerWaalsContact C-N 3.31Å; I87-E89 PolarHBondContact O-N 2.86Å
88K38.6Very low51.3Low179 Ų179134.4 Ų134.478%0.77869%0.689SS**  trans-67.197.5-179.3-88.5-176.9176.2177.20107.8R86 G90R86-K88 PolarHBondContact O-N 2.93Å; K88-G90 PolarHBondContact O-N 2.84Å
89E34.8Very low49.6Very low189 Ų189131.5 Ų131.588%0.88369%0.686SS**  trans-57.3116.1155.1-156.3173.3-176.100108.3I87I87-E89 VanDerWaalsContact C-N 3.31Å; I87-E89 PolarHBondContact O-N 2.86Å
90G40Very low47.5Very low76 Ų76137 Ų13778%0.78472%0.716SS**  trans56.388.7160.100000118.6K88K88-G90 PolarHBondContact O-N 2.84Å
91S36.6Very low45.8Very low104 Ų104142.4 Ų142.473%0.72773%0.728SS**  trans-121.385.9148167.60000108R93S91-R93 VanDerWaalsContact C-N 3.29Å; S91-R93 PolarHBondContact O-N 3.03Å
92S46Very low43.8Very low115 Ų115146.4 Ų146.480%0.80475%0.75SS**  trans-70.973.7177.753.80000112.2
93R39.7Very low42.8Very low216 Ų216153 Ų15382%0.81578%0.776SS**  trans-129.7105.2156.9-72.1-173.869.8136.5-1.4108.5S91 V95S91-R93 VanDerWaalsContact C-N 3.29Å; S91-R93 PolarHBondContact O-N 3.03Å; R93-V95 PolarHBondContact O-N 2.82Å
94P41.4Very low42.1Very low108 Ų108152 Ų15270%0.70177%0.772SS**  trans-59.1124.9172.5-21.432.8000110W96P94-W96 PolarHBondContact O-N 2.82Å
95V39.3Very low41.9Very low150 Ų150156.1 Ų156.191%0.90978%0.779SS**SBendtrans-77.957.6168.3-176.50000108R93R93-V95 PolarHBondContact O-N 2.82Å
96W44.8Very low41.4Very low226 Ų226153 Ų15386%0.85677%0.774SS**  trans-160.744.5168.1-144.370.3000110.8P94P94-W96 PolarHBondContact O-N 2.82Å
97S38.2Very low41Very low103 Ų103146 Ų14672%0.7277%0.769SS**  trans-129.445171.9-140.80000109.5
98D35Very low40.2Very low160 Ų160148.6 Ų148.686%0.85678%0.775SS**  trans-108.2106.3157.4-79.1-49.2000108.5D100D98-D100 VanDerWaalsContact C-N 3.26Å; D98-D100 PolarHBondContact O-N 3.36Å; D98-D100 VanDerWaalsContact O-N 3.09Å
99D47.2Very low39.7Very low117 Ų117146 Ų14663%0.62677%0.774SS**THydrogen-bonded Turntrans-79.759.1-173.1-153-70.4000110.4
100D42.2Very low39.6Very low119 Ų119143.2 Ų143.264%0.63677%0.771SS**THydrogen-bonded Turntrans-132.3-6.1-179.3-104.8-43.5000115.2D98D98-D100 VanDerWaalsContact C-N 3.26Å; D98-D100 PolarHBondContact O-N 3.36Å; D98-D100 VanDerWaalsContact O-N 3.09Å
101W45.6Very low39Very low219 Ų219148 Ų14883%0.8377%0.773SS**SBendtrans-89.3-31.5175.6-167.3-69.7000112.8
102L41.2Very low38.6Very low144 Ų144151.9 Ų151.975%0.75478%0.779SS**SBendtrans-83.3-18.8-174.4-146.773.3000113.6
103K50.5Low38Very low153 Ų153150.9 Ų150.967%0.66578%0.777SS**SBendtrans-78-22.6175-79.8174.9-176.6157.50113.8
104K48.4Very low37.3Very low170 Ų170149.9 Ų149.974%0.73978%0.782SS**SBendtrans-90.1-8.2-172.3-96.9178176.2171.30115.7
105F44.5Very low36.6Very low195 Ų195149 Ų14986%0.85578%0.784SS**SBendtrans-13925.8-177.6-87.5-80.9000115.4
106S31.8Very low35.9Very low106 Ų106151 Ų15174%0.74178%0.783SS**SBendtrans-133.788.4169.3-175.50000110.4
107G28.6Very low35.1Very low71 Ų71145.3 Ų145.373%0.73279%0.785SS**SBendtrans14396.3161.400000117.5
108K30.5Very low34.5Very low200 Ų200144.5 Ų144.587%0.8779%0.785SS**  trans73.7105.1141-66.7-180174.4-179.30120.8
109T27.2Very low34Very low124 Ų124142.9 Ų142.976%0.76179%0.786SS**  13.3129.411954.80000120.5
110V32.1Very low33Very low132 Ų132141.2 Ų141.280%0.880%0.796SS**  trans59102.7150.8-151.50000117.8
111E27.7Very low32.2Very low177 Ų177145 Ų14583%0.82781%0.81SS**  -177.8142.6120.4-99.7168.7168.500109.8
112E29.5Very low31.3Very low185 Ų185139.5 Ų139.586%0.86481%0.811SS**  trans79.771.4163.4-62.4173.5176.900118.4
113A31.6Very low30.7Very low93 Ų93137.4 Ų137.477%0.76981%0.814SS**  trans-65.3149.9132.100000109.8
114E26Very low29.5Very low195 Ų195136.8 Ų136.891%0.91182%0.824SS**  trans91.784.7172-53.6-173.6154.500117.3
115A25.8Very low28.6Very low90 Ų90133.4 Ų133.474%0.74483%0.827SS**  trans-166113.8134.300000111.4
116E26.3Very low27.7Very low191 Ų191130.8 Ų130.889%0.89383%0.827SS**  trans78.187.6140.8-59-174163.300119.8
117A26.8Very low27.6Very low107 Ų107134 Ų13488%0.88483%0.831SS**  trans-65.7119.4137.600000110.6
118A25.2Very low27.6Very low87 Ų87140.1 Ų140.172%0.71984%0.84SS**  trans-168.3112.8148.100000113.1
119S25.5Very low27.4Very low126 Ų126139 Ų13988%0.88184%0.838SS**  trans64.5128.2142.265.70000122.2
120G25.7Very low27.5Very low81 Ų81136.5 Ų136.584%0.83584%0.837SS**  trans14298.3142.800000115.9
121E25.9Very low27.5Very low200 Ų200139 Ų13994%0.93584%0.84SS**  trans-63.6148.4174.4-61.5167.7131.200114
122A27.3Very low28Very low103 Ų103136 Ų13685%0.85184%0.836SS**  -169.9131.5129.600000111.6
123A26.8Very low28.3Very low99 Ų99133 Ų13382%0.81883%0.832SS**  trans-74.7148.2-171.400000114.7
124T25.4Very low28.8Very low141 Ų141133.1 Ų133.187%0.86583%0.833SS**  trans-148.6120.2137.7-400000109
125A30.3Very low29.8Very low98 Ų98132.4 Ų132.481%0.8183%0.827SS**  trans-71.5124.718000000111
126T26.1Very low30.8Very low140 Ų140138 Ų13886%0.85983%0.834SS**  trans-127.6124.8157.228.40000108.1
127Q28.5Very low32.3Very low175 Ų175132 Ų13282%0.81882%0.824SS**  trans-57.5129.6-171.7-67.8164.6-24.700111.4Q129Q127-Q129 PolarHBondContact O-N 3.02Å; Q127-Q129 VanDerWaalsContact O-N 3.09Å
128E29.1Very low34.4Very low198 Ų198134.6 Ų134.693%0.92581%0.811SS**  trans-55.4108159.9-68.5174.2142.900108.5
129Q27.7Very low37.5Very low177 Ų177136.8 Ų136.883%0.82782%0.815SS**  trans-100.9105156.6-74.4-173.3-1.500106Q127Q127-Q129 PolarHBondContact O-N 3.02Å; Q127-Q129 VanDerWaalsContact O-N 3.09Å
130G27.5Very low40.8Very low71 Ų71132.6 Ų132.673%0.73278%0.783SS**  trans-51.2140.1179.600000111.5
131E32.4Very low44.1Very low186 Ų186129.7 Ų129.787%0.86975%0.749SS**  trans-44.2130.9166.2-81.5172.9126.600109.8
132P39.3Very low47.5Very low114 Ų114123.5 Ų123.574%0.7472%0.72SS**  trans-56.8130.4162.224.2-29.5000106.8A134P132-A134 PolarHBondContact O-N 3.24Å
133P34.6Very low50.9Low122 Ų122118.6 Ų118.679%0.79268%0.68SS**  trans-56.7124-176.522.7-32.2000108.2K135P133-K135 PolarHBondContact O-N 2.67Å
134A43Very low54.3Low95 Ų95115.9 Ų115.979%0.78565%0.649SS**  trans-46.3113.8171.500000107.7P132 K136P132-A134 PolarHBondContact O-N 3.24Å; A134-K136 PolarHBondContact O-N 3.48Å
135K46.6Very low57.8Low180 Ų180109.1 Ų109.178%0.78361%0.607SS**  trans-47.3120171.3-76.3-175.2174.9-173.20105.8P133 G137P133-K135 PolarHBondContact O-N 2.67Å; K135-G137 PolarHBondContact O-N 3.43Å
136K46.3Very low61Low206 Ų206106 Ų10690%0.89658%0.577SS**  trans-45.6109.3177-76.3-179.5178177.20107A134 R138A134-K136 PolarHBondContact O-N 3.48Å; K136-R138 PolarHBondContact O-N 3.11Å; K136-R138 VanDerWaalsContact O-N 3.12Å
137G58.8Low64.4Low66 Ų6699.4 Ų99.468%0.6854%0.536SS*.PPolyproline II helixtrans-55.1123.8-175.500000107.9K135 V139K135-G137 PolarHBondContact O-N 3.43Å; G137-V139 PolarHBondContact O-N 2.87Å
138R71.6Confident67.8Low162 Ų16295.3 Ų95.361%0.61152%0.516SS*.PPolyproline II helixtrans-56.5127.2171-78.6-177.7171.1169.8-3.3106.9K136 N140K136-R138 PolarHBondContact O-N 3.11Å; K136-R138 VanDerWaalsContact O-N 3.12Å; R138-N140 PolarHBondContact O-N 2.93Å
139V88.9Confident71Confident133 Ų13386.8 Ų86.881%0.80648%0.476SS*.PPolyproline II helixtrans-66.4125.1176.2179.60000107.1G137 P141G137-V139 PolarHBondContact O-N 2.87Å; V139-P141 VanDerWaalsContact O-CD 3.25Å; V139-P141 WeakPolarHBondContact O-CD 3.49Å
140N94.6Very high74.3Confident38 Ų3879.1 Ų79.120%0.20345%0.445CS..  trans-74.2115.6179.7-82.1-14.1000109.9R138 L160 L161 A163 D164R138-N140 PolarHBondContact O-N 2.93Å; N140-L160 HydrophobicContact CB-CD1 3.78Å; N140-L160 HydrophobicContact CB-CG 4.32Å; N140-L161 WeakPolarHBondContact CB-O 3.49Å; N140-L161 PolarHBondContact OD1-O 3.46Å; N140-A163 PolarHBondContact OD1-N 2.74Å; N140-D164 PolarHBondContact ND2-OD1 2.92Å; N140-D164 PolarHBondContact OD1-N 3.3Å; N140-D164 PolarHBondContact OD1-OD1 2.89Å; N140-D164 VanDerWaalsContact OD1-OD1 3.07Å
141P96.1Very high77.4Confident20 Ų2083.7 Ų83.713%0.1345%0.452CS..  trans-64150-179.2-20.833000111.6V139 L161 A163 V170 R174V139-P141 VanDerWaalsContact O-CD 3.25Å; V139-P141 WeakPolarHBondContact O-CD 3.49Å; P141-L161 HydrophobicContact CB-CD1 4.47Å; P141-L161 PolarHBondContact O-N 2.77Å; P141-A163 HydrophobicContact CG-CB 4.5Å; P141-V170 HydrophobicContact CG-CG1 4.03Å; P141-R174 HydrophobicContact CB-CG 4.47Å
142Q97.3Very high80.4Confident69 Ų6982.5 Ų82.532%0.32245%0.445SS..EExtended strand (participates in β ladder)trans-113.2131.7168.9-70.2-174.948.500109.9F159 L160 Y301Q142-F159 CarbonylContact C-O 3.51Å; Q142-F159 VanDerWaalsContact CA-O 3.25Å; Q142-F159 WeakPolarHBondContact CA-O 3.39Å; Q142-L160 HydrophobicContact CG-CD1 3.73Å; Q142-Y301 HydrophobicContact CB-CD2 4.19Å; Q142-Y301 PolarHBondContact O-N 2.88Å
143V98.1Very high83.1Confident0 Ų082.2 Ų82.20%044%0.443CS..EExtended strand (participates in β ladder)trans-126.6158.4-179.6-61.80000110.7R158 F159 L161 F173 R174 C177 G299 E300V143-R158 WeakPolarHBondContact O-CA 3.48Å; V143-F159 HydrophobicContact CG2-CB 4.03Å; V143-F159 HydrophobicContact CG2-CD2 4.44Å; V143-F159 PolarHBondContact N-O 3.29Å; V143-F159 PolarHBondContact O-N 2.98Å; V143-L161 HydrophobicContact CB-CD1 4.49Å; V143-L161 HydrophobicContact CG1-CD1 3.78Å; V143-L161 HydrophobicContact CG1-CG 4.5Å; V143-L161 HydrophobicContact CG2-CD1 3.86Å; V143-L161 HydrophobicContact CG2-CD2 3.97Å; V143-L161 HydrophobicContact CG2-CG 3.98Å; V143-F173 HydrophobicContact CG2-CD1 4.12Å; V143-F173 HydrophobicContact CG2-CE1 3.76Å; V143-R174 HydrophobicContact CG1-CG 4.31Å; V143-C177 HydrophobicContact CB-CB 4.32Å; V143-C177 HydrophobicContact CG1-CB 4.3Å; V143-G299 CarbonylContact C-O 3.54Å; V143-G299 VanDerWaalsContact CA-O 3.27Å; V143-G299 WeakPolarHBondContact CA-O 3.31Å; V143-G299 VanDerWaalsContact CB-O 3.32Å; V143-G299 WeakPolarHBondContact CB-O 3.39Å; V143-E300 HydrophobicContact CG1-CB 4.33Å; V143-E300 HydrophobicContact CG1-CG 4.48Å
144Y98.3Very high86.1Confident42 Ų4278.1 Ų78.117%0.16542%0.419CS..EExtended strand (participates in β ladder)trans-127.5157.7175.768.1-86.4000113.7R156 L157 C298 G299 Y301Y144-R156 HydrophobicContact CD2-CG 4.48Å; Y144-L157 CarbonylContact C-O 3.56Å; Y144-L157 WeakPolarHBondContact CA-O 3.44Å; Y144-L157 WeakPolarHBondContact CB-O 3.22Å; Y144-C298 VanDerWaalsContact O-CA 3.23Å; Y144-C298 WeakPolarHBondContact O-CA 3.13Å; Y144-C298 VanDerWaalsContact O-CB 3.25Å; Y144-C298 WeakPolarHBondContact O-CB 3.49Å; Y144-G299 WeakPolarHBondContact CD1-O 3.29Å; Y144-G299 PolarHBondContact N-O 3Å; Y144-G299 PolarHBondContact O-N 3.29Å; Y144-Y301 HydrophobicContact CD1-CD2 4.1Å; Y144-Y301 AromaticContact CD1-CE2 3.81Å; Y144-Y301 HydrophobicContact CD1-CE2 3.81Å; Y144-Y301 HydrophobicContact CG-CE2 4.1Å
145M98.4Very high88.7Confident0 Ų075 Ų750%040%0.397CS..EExtended strand (participates in β ladder)trans-136.2120.7169.4-63.6-176.9174.300109.8I147 R156 L157 F159 F173 Y185 F249 I295 C298M145-I147 HydrophobicContact CB-CD1 4.09Å; M145-R156 WeakPolarHBondContact O-CA 3.23Å; M145-L157 HydrophobicContact CB-CB 4.48Å; M145-L157 PolarHBondContact N-O 2.6Å; M145-L157 PolarHBondContact O-N 2.95Å; M145-F159 HydrophobicContact CG-CE2 4.37Å; M145-F159 HydrophobicContact SD-CE2 4.25Å; M145-F173 HydrophobicContact CE-CE1 3.87Å; M145-F173 HydrophobicContact CE-CE2 4.02Å; M145-F173 HydrophobicContact CE-CZ 3.29Å; M145-Y185 HydrophobicContact CE-CD2 3.7Å; M145-Y185 HydrophobicContact CE-CE2 4.16Å; M145-Y185 HydrophobicContact CE-CG 4.32Å; M145-F249 HydrophobicContact CE-CE1 4.07Å; M145-F249 HydrophobicContact CE-CE2 4.38Å; M145-F249 HydrophobicContact CE-CZ 3.64Å; M145-F249 HydrophobicContact SD-CE2 4.39Å; M145-F249 HydrophobicContact SD-CZ 3.8Å; M145-I295 HydrophobicContact CB-CG2 4.26Å; M145-I295 HydrophobicContact CE-CD1 4.29Å; M145-I295 HydrophobicContact CG-CG2 4.32Å; M145-I295 HydrophobicContact SD-CD1 3.76Å; M145-I295 HydrophobicContact SD-CG1 4.3Å; M145-C298 HydrophobicContact CG-CB 4.11Å
146D98.1Very high91.1Very high31 Ų3171.1 Ų71.117%0.16638%0.377CS..EExtended strand (participates in β ladder)trans-86.5116.9171.9-73.3-33.8000110R156 I295 S296 D297D146-R156 VanDerWaalsContact OD1-CB 3.31Å; D146-R156 WeakPolarHBondContact OD1-CB 3.38Å; D146-R156 WeakPolarHBondContact OD1-CG 3.26Å; D146-R156 IonicContact OD1-CZ 3.77Å; D146-R156 IonicContact OD1-NE 3.75Å; D146-R156 PolarHBondContact OD1-NE 2.85Å; D146-R156 IonicContact OD1-NH2 2.84Å; D146-R156 PolarHBondContact OD1-NH2 2.82Å; D146-R156 IonicContact OD2-CZ 3.45Å; D146-R156 IonicContact OD2-NE 3.53Å; D146-R156 IonicContact OD2-NH2 2.74Å; D146-R156 PolarHBondContact OD2-NH2 3.09Å; D146-I295 CarbonylContact O-C 3.55Å; D146-S296 PolarHBondContact O-N 3.25Å; D146-S296 PolarHBondContact O-OG 2.87Å; D146-D297 HydrophobicContact CB-CB 4.09Å; D146-D297 PolarHBondContact N-O 3.28Å
147I98.4Very high93.6Very high2 Ų261.3 Ų61.31%0.0133%0.334CS..EExtended strand (participates in β ladder)trans-98.2136.8-171.9-55.3-57.8000110.9M145 I149 A154 G155 L157 F190 V275 M279 V293 I294 I295M145-I147 HydrophobicContact CB-CD1 4.09Å; I147-I149 HydrophobicContact CG2-CG1 4.25Å; I147-A154 HydrophobicContact CB-CB 4.33Å; I147-A154 HydrophobicContact CG2-CB 4.14Å; I147-A154 PolarHBondContact O-N 3.05Å; I147-G155 PolarHBondContact N-O 3.44Å; I147-L157 HydrophobicContact CD1-CD1 4.03Å; I147-L157 HydrophobicContact CG1-CD1 3.82Å; I147-L157 HydrophobicContact CG1-CG 4Å; I147-F190 HydrophobicContact CD1-CE2 3.78Å; I147-F190 HydrophobicContact CD1-CZ 4.48Å; I147-V275 HydrophobicContact CB-CG1 3.94Å; I147-V275 HydrophobicContact CG1-CG1 4Å; I147-V275 HydrophobicContact CG2-CG1 4.45Å; I147-M279 HydrophobicContact CB-SD 4.39Å; I147-M279 HydrophobicContact CD1-SD 4.19Å; I147-M279 HydrophobicContact CG1-SD 3.84Å; I147-M279 HydrophobicContact CG2-CG 3.89Å; I147-M279 HydrophobicContact CG2-SD 3.84Å; I147-V293 HydrophobicContact CG2-CG1 3.78Å; I147-I294 WeakPolarHBondContact CA-O 3.34Å; I147-I295 HydrophobicContact CD1-CG1 4.2Å
148K98.2Very high95.5Very high89 Ų8960.6 Ų60.639%0.38731%0.311SS..EExtended strand (participates in β ladder)trans-115133.2165.2-73.3180-176.2176.60110.2K152 V293 I294 S296K148-K152 CarbonylContact C-O 3.6Å; K148-K152 VanDerWaalsContact CA-O 3.31Å; K148-K152 WeakPolarHBondContact CA-O 3.37Å; K148-V293 CarbonylContact O-C 3.58Å; K148-V293 WeakPolarHBondContact O-CA 3.35Å; K148-I294 PolarHBondContact N-O 3.15Å; K148-I294 PolarHBondContact O-N 3.32Å; K148-S296 VanDerWaalsContact CE-CB 3.49Å
149I97.8Very high96.7Very high19 Ų1952.9 Ų52.910%0.09728%0.282CS..EExtended strand (participates in β ladder)trans-112.2117.1172.8-61.5172.8000107.9I147 N151 K152 A154 A278 M279 Q282 Q291 V293I147-I149 HydrophobicContact CG2-CG1 4.25Å; I149-N151 PolarHBondContact O-N 3.35Å; I149-K152 PolarHBondContact N-O 2.86Å; I149-K152 PolarHBondContact O-N 2.98Å; I149-A154 HydrophobicContact CB-CB 4.42Å; I149-A154 HydrophobicContact CD1-CB 3.67Å; I149-A154 HydrophobicContact CG1-CB 3.76Å; I149-A278 HydrophobicContact CD1-CB 4.02Å; I149-M279 HydrophobicContact CD1-CG 4.28Å; I149-Q282 HydrophobicContact CD1-CG 4.36Å; I149-Q282 HydrophobicContact CG2-CG 3.7Å; I149-Q291 HydrophobicContact CG2-CB 4.12Å; I149-V293 HydrophobicContact CG1-CG1 4.33Å; I149-V293 HydrophobicContact CG1-CG2 4.23Å
150G95.3Very high97.2Very high16 Ų1649.1 Ų49.117%0.16526%0.257CS..THydrogen-bonded Turntrans58.5-119.7-16500000110K292G150-K292 PolarHBondContact N-O 2.86Å
151N92.5Very high97.3Very high167 Ų16747.3 Ų47.389%0.89325%0.247SC*.THydrogen-bonded Turntrans-104.28.1176.5-70-13.1000113.4I149I149-N151 PolarHBondContact O-N 3.35Å
152K95.9Very high97.3Very high162 Ų16249.3 Ų49.370%0.70425%0.252SS*.EExtended strand (participates in β ladder)trans-106.4132.7-175.7-63.6-176.5-178.3-178.40110.9K148 I149 A154K148-K152 CarbonylContact C-O 3.6Å; K148-K152 VanDerWaalsContact CA-O 3.31Å; K148-K152 WeakPolarHBondContact CA-O 3.37Å; I149-K152 PolarHBondContact N-O 2.86Å; I149-K152 PolarHBondContact O-N 2.98Å; K152-A154 PolarHBondContact O-N 3.49Å
153P97.1Very high97.2Very high108 Ų10846.5 Ų46.570%0.70124%0.241SC*.EExtended strand (participates in β ladder)trans-57.9127.5165.3-19.732.2000109.8
154A97.1Very high97Very high35 Ų3550.1 Ų50.129%0.28926%0.26SS..EExtended strand (participates in β ladder)trans-98.5-29.2178.900000112.1I147 I149 K152 V275I147-A154 HydrophobicContact CB-CB 4.33Å; I147-A154 HydrophobicContact CG2-CB 4.14Å; I147-A154 PolarHBondContact O-N 3.05Å; I149-A154 HydrophobicContact CB-CB 4.42Å; I149-A154 HydrophobicContact CD1-CB 3.67Å; I149-A154 HydrophobicContact CG1-CB 3.76Å; K152-A154 PolarHBondContact O-N 3.49Å; A154-V275 HydrophobicContact CB-CG1 4.24Å
155G97.4Very high96.8Very high31 Ų3150 Ų5032%0.3226%0.262SS..EExtended strand (participates in β ladder)trans136.6-167.1178.200000111.8I147I147-G155 PolarHBondContact N-O 3.44Å
156R98Very high96.7Very high97 Ų9750 Ų5037%0.36626%0.262SS..EExtended strand (participates in β ladder)trans-113.2135.1-176.9-176.7170-72.2-164.3-4.4111Y144 M145 D146 G272 Y301Y144-R156 HydrophobicContact CD2-CG 4.48Å; M145-R156 WeakPolarHBondContact O-CA 3.23Å; D146-R156 VanDerWaalsContact OD1-CB 3.31Å; D146-R156 WeakPolarHBondContact OD1-CB 3.38Å; D146-R156 WeakPolarHBondContact OD1-CG 3.26Å; D146-R156 IonicContact OD1-CZ 3.77Å; D146-R156 IonicContact OD1-NE 3.75Å; D146-R156 PolarHBondContact OD1-NE 2.85Å; D146-R156 IonicContact OD1-NH2 2.84Å; D146-R156 PolarHBondContact OD1-NH2 2.82Å; D146-R156 IonicContact OD2-CZ 3.45Å; D146-R156 IonicContact OD2-NE 3.53Å; D146-R156 IonicContact OD2-NH2 2.74Å; D146-R156 PolarHBondContact OD2-NH2 3.09Å; R156-G272 WeakPolarHBondContact O-CA 3.41Å; R156-Y301 VanDerWaalsContact CD-OH 3.23Å; R156-Y301 WeakPolarHBondContact CD-OH 3.44Å; R156-Y301 PolarHBondContact NH1-OH 3.42Å
157L98.2Very high96.6Very high0 Ų050 Ų500%026%0.263CS..EExtended strand (participates in β ladder)trans-96.9132.8165.3-60.8174.9000108.6Y144 M145 I147 F159 I251 L269 G272 V275 L276 M279Y144-L157 CarbonylContact C-O 3.56Å; Y144-L157 WeakPolarHBondContact CA-O 3.44Å; Y144-L157 WeakPolarHBondContact CB-O 3.22Å; M145-L157 HydrophobicContact CB-CB 4.48Å; M145-L157 PolarHBondContact N-O 2.6Å; M145-L157 PolarHBondContact O-N 2.95Å; I147-L157 HydrophobicContact CD1-CD1 4.03Å; I147-L157 HydrophobicContact CG1-CD1 3.82Å; I147-L157 HydrophobicContact CG1-CG 4Å; L157-F159 HydrophobicContact CB-CD2 4.36Å; L157-F159 HydrophobicContact CB-CE2 3.51Å; L157-F159 HydrophobicContact CB-CZ 3.78Å; L157-F159 HydrophobicContact CD1-CE2 4.19Å; L157-F159 HydrophobicContact CD1-CZ 3.87Å; L157-F159 HydrophobicContact CG-CE2 4.48Å; L157-F159 HydrophobicContact CG-CZ 4.38Å; L157-I251 HydrophobicContact CD1-CD1 3.94Å; L157-L269 HydrophobicContact CB-CD1 3.79Å; L157-L269 HydrophobicContact CD2-CD1 3.84Å; L157-L269 HydrophobicContact CD2-CD2 4.19Å; L157-L269 HydrophobicContact CG-CD1 4.35Å; L157-G272 WeakPolarHBondContact CD2-O 3.45Å; L157-V275 HydrophobicContact CD2-CB 3.8Å; L157-V275 HydrophobicContact CD2-CG1 4.05Å; L157-V275 HydrophobicContact CG-CB 4.49Å; L157-V275 HydrophobicContact CG-CG1 4.25Å; L157-L276 HydrophobicContact CD2-CB 4.17Å; L157-M279 HydrophobicContact CD1-CE 4.5Å; L157-M279 HydrophobicContact CD1-SD 3.83Å
158R97.9Very high96.5Very high52 Ų5254.6 Ų54.620%0.19629%0.286CS..EExtended strand (participates in β ladder)trans-116.9129.8170.6-174.9172.683.7-158.7-1109.9V143 L269 V270 E271 Y301V143-R158 WeakPolarHBondContact O-CA 3.48Å; R158-L269 WeakPolarHBondContact O-CD1 3.27Å; R158-V270 PolarHBondContact O-N 3.41Å; R158-E271 HydrophobicContact CB-CB 4.01Å; R158-E271 IonicContact CZ-OE1 2.7Å; R158-E271 IonicContact CZ-OE2 3.78Å; R158-E271 PolarHBondContact N-O 3.06Å; R158-E271 IonicContact NE-OE2 3.44Å; R158-E271 IonicContact NH1-OE1 3.72Å; R158-E271 PolarHBondContact NH1-OE1 3.21Å; R158-E271 IonicContact NH1-OE2 2.92Å; R158-E271 PolarHBondContact NH1-OE2 2.82Å; R158-E271 VanDerWaalsContact NH1-OE2 3.09Å; R158-E271 IonicContact NH2-OE1 3.98Å; R158-E271 PolarHBondContact NH2-OE1 2.82Å; R158-E271 IonicContact NH2-OE2 2.77Å; R158-E271 PolarHBondContact O-N 3.31Å; R158-Y301 HydrophobicContact CB-CE2 4.34Å; R158-Y301 VanDerWaalsContact CD-CE2 3.5Å; R158-Y301 HydrophobicContact CG-CD2 4.13Å; R158-Y301 HydrophobicContact CG-CE2 3.64Å
159F98Very high96.4Very high0 Ų050.3 Ų50.30%027%0.268CS..EExtended strand (participates in β ladder)trans-119.4143.2-179.2-57.5-85.7000111.2Q142 V143 M145 L157 L161 L235 I251 D268 L269Q142-F159 CarbonylContact C-O 3.51Å; Q142-F159 VanDerWaalsContact CA-O 3.25Å; Q142-F159 WeakPolarHBondContact CA-O 3.39Å; V143-F159 HydrophobicContact CG2-CB 4.03Å; V143-F159 HydrophobicContact CG2-CD2 4.44Å; V143-F159 PolarHBondContact N-O 3.29Å; V143-F159 PolarHBondContact O-N 2.98Å; M145-F159 HydrophobicContact CG-CE2 4.37Å; M145-F159 HydrophobicContact SD-CE2 4.25Å; L157-F159 HydrophobicContact CB-CD2 4.36Å; L157-F159 HydrophobicContact CB-CE2 3.51Å; L157-F159 HydrophobicContact CB-CZ 3.78Å; L157-F159 HydrophobicContact CD1-CE2 4.19Å; L157-F159 HydrophobicContact CD1-CZ 3.87Å; L157-F159 HydrophobicContact CG-CE2 4.48Å; L157-F159 HydrophobicContact CG-CZ 4.38Å; F159-L161 HydrophobicContact CB-CD2 4.27Å; F159-L235 HydrophobicContact CB-CD1 3.72Å; F159-L235 HydrophobicContact CD1-CD1 3.39Å; F159-L235 HydrophobicContact CD1-CD2 4.18Å; F159-L235 HydrophobicContact CD1-CG 3.58Å; F159-L235 HydrophobicContact CD2-CD1 4.26Å; F159-L235 HydrophobicContact CE1-CD1 3.97Å; F159-L235 HydrophobicContact CE1-CD2 3.88Å; F159-L235 HydrophobicContact CE1-CG 3.74Å; F159-L235 HydrophobicContact CG-CD1 3.54Å; F159-L235 HydrophobicContact CG-CG 4.24Å; F159-L235 HydrophobicContact CZ-CD2 4.25Å; F159-I251 HydrophobicContact CE1-CD1 4.21Å; F159-I251 HydrophobicContact CE1-CG1 4.2Å; F159-I251 HydrophobicContact CE1-CG2 4.38Å; F159-I251 HydrophobicContact CZ-CD1 3.67Å; F159-I251 HydrophobicContact CZ-CG1 4.11Å; F159-D268 CarbonylContact C-O 3.58Å; F159-D268 VanDerWaalsContact CA-O 3.32Å; F159-D268 WeakPolarHBondContact CA-O 3.29Å; F159-L269 HydrophobicContact CD1-CB 4Å; F159-L269 HydrophobicContact CD1-CD1 3.58Å; F159-L269 HydrophobicContact CD1-CG 4.41Å; F159-L269 HydrophobicContact CD2-CD1 4.39Å; F159-L269 HydrophobicContact CE1-CB 3.97Å; F159-L269 HydrophobicContact CE1-CD1 3.24Å; F159-L269 HydrophobicContact CE1-CG 4.2Å; F159-L269 HydrophobicContact CE2-CD1 4.1Å; F159-L269 HydrophobicContact CG-CD1 4.16Å; F159-L269 HydrophobicContact CZ-CD1 3.53Å
160L97.8Very high96.4Very high54 Ų5449.5 Ų49.528%0.28326%0.264SS..EExtended strand (participates in β ladder)trans-97.8125.9164.1-178.870.6000108.2N140 Q142 G267 D268 V270N140-L160 HydrophobicContact CB-CD1 3.78Å; N140-L160 HydrophobicContact CB-CG 4.32Å; Q142-L160 HydrophobicContact CG-CD1 3.73Å; L160-G267 CarbonylContact O-C 3.48Å; L160-G267 WeakPolarHBondContact O-CA 3.36Å; L160-D268 PolarHBondContact N-O 2.96Å; L160-D268 PolarHBondContact O-N 2.79Å; L160-V270 HydrophobicContact CB-CG2 3.56Å
161L97.6Very high96.5Very high0 Ų052 Ų520%027%0.271CS..EExtended strand (participates in β ladder)trans-99.6133-178.8-54.2-175.7000110.6N140 P141 V143 F159 A163 V170 F173 R174 L235 F266N140-L161 WeakPolarHBondContact CB-O 3.49Å; N140-L161 PolarHBondContact OD1-O 3.46Å; P141-L161 HydrophobicContact CB-CD1 4.47Å; P141-L161 PolarHBondContact O-N 2.77Å; V143-L161 HydrophobicContact CB-CD1 4.49Å; V143-L161 HydrophobicContact CG1-CD1 3.78Å; V143-L161 HydrophobicContact CG1-CG 4.5Å; V143-L161 HydrophobicContact CG2-CD1 3.86Å; V143-L161 HydrophobicContact CG2-CD2 3.97Å; V143-L161 HydrophobicContact CG2-CG 3.98Å; F159-L161 HydrophobicContact CB-CD2 4.27Å; L161-A163 VanDerWaalsContact C-N 3.31Å; L161-A163 PolarHBondContact O-N 2.84Å; L161-V170 HydrophobicContact CB-CB 4.25Å; L161-V170 HydrophobicContact CB-CG1 3.47Å; L161-V170 VanDerWaalsContact CB-CG1 3.47Å; L161-V170 HydrophobicContact CB-CG2 3.82Å; L161-V170 HydrophobicContact CD1-CG1 3.87Å; L161-V170 HydrophobicContact CG-CG1 4.33Å; L161-F173 HydrophobicContact CD1-CD1 3.89Å; L161-F173 HydrophobicContact CD2-CD1 3.88Å; L161-F173 HydrophobicContact CD2-CE1 4.15Å; L161-R174 HydrophobicContact CD1-CB 4.26Å; L161-L235 HydrophobicContact CD2-CD1 3.78Å; L161-F266 HydrophobicContact CD2-CD2 4.24Å; L161-F266 HydrophobicContact CD2-CE2 4.22Å
162R96.9Very high96.7Very high62 Ų6244 Ų4423%0.23423%0.228CC..  trans-85.763.9-174.3-64.7-61.5-58.8-985.9112.6D164 I165 V166 L227 F266R162-D164 VanDerWaalsContact C-OD1 3.25Å; R162-D164 VanDerWaalsContact CA-OD1 3.25Å; R162-D164 WeakPolarHBondContact CA-OD1 3.28Å; R162-D164 WeakPolarHBondContact CB-OD1 3.44Å; R162-D164 IonicContact CZ-OD1 2.72Å; R162-D164 IonicContact CZ-OD2 3.72Å; R162-D164 IonicContact NE-OD1 3.7Å; R162-D164 PolarHBondContact NE-OD1 2.95Å; R162-D164 IonicContact NE-OD2 3.88Å; R162-D164 PolarHBondContact NE-OD2 3.16Å; R162-D164 IonicContact NH2-OD1 2.76Å; R162-D164 IonicContact NH2-OD2 3.91Å; R162-D164 PolarHBondContact NH2-OD2 3.16Å; R162-D164 PolarHBondContact O-N 2.7Å; R162-I165 PolarHBondContact O-N 3.16Å; R162-V166 PolarHBondContact O-N 2.94Å; R162-L227 HydrophobicContact CB-CD1 3.78Å; R162-L227 HydrophobicContact CG-CD1 3.78Å; R162-F266 PolarHBondContact N-O 3.14Å
163A95.1Very high96.8Very high10 Ų1036.3 Ų36.38%0.08320%0.195CC..THydrogen-bonded Turntrans-63.7-20.4177.700000112.9N140 P141 L161 I165 P167 V170N140-A163 PolarHBondContact OD1-N 2.74Å; P141-A163 HydrophobicContact CG-CB 4.5Å; L161-A163 VanDerWaalsContact C-N 3.31Å; L161-A163 PolarHBondContact O-N 2.84Å; A163-I165 VanDerWaalsContact C-N 3.27Å; A163-P167 WeakPolarHBondContact O-CB 3.29Å; A163-P167 WeakPolarHBondContact O-CD 3.38Å; A163-V170 HydrophobicContact CB-CB 4.31Å; A163-V170 HydrophobicContact CB-CG1 3.86Å
164D93.3Very high96.9Very high76 Ų7632.4 Ų32.441%0.40617%0.166SC..THydrogen-bonded Turntrans-65.3-25.9170.963-46.7000113.5N140 R162N140-D164 PolarHBondContact ND2-OD1 2.92Å; N140-D164 PolarHBondContact OD1-N 3.3Å; N140-D164 PolarHBondContact OD1-OD1 2.89Å; N140-D164 VanDerWaalsContact OD1-OD1 3.07Å; R162-D164 VanDerWaalsContact C-OD1 3.25Å; R162-D164 VanDerWaalsContact CA-OD1 3.25Å; R162-D164 WeakPolarHBondContact CA-OD1 3.28Å; R162-D164 WeakPolarHBondContact CB-OD1 3.44Å; R162-D164 IonicContact CZ-OD1 2.72Å; R162-D164 IonicContact CZ-OD2 3.72Å; R162-D164 IonicContact NE-OD1 3.7Å; R162-D164 PolarHBondContact NE-OD1 2.95Å; R162-D164 IonicContact NE-OD2 3.88Å; R162-D164 PolarHBondContact NE-OD2 3.16Å; R162-D164 IonicContact NH2-OD1 2.76Å; R162-D164 IonicContact NH2-OD2 3.91Å; R162-D164 PolarHBondContact NH2-OD2 3.16Å; R162-D164 PolarHBondContact O-N 2.7Å
165I93.9Very high96.9Very high38 Ų3830.8 Ų30.820%0.19515%0.153CC..THydrogen-bonded Turntrans-113.5-45.3-176.5-59.1178.2000112.3R162 A163 P167 N224 V226 L227R162-I165 PolarHBondContact O-N 3.16Å; A163-I165 VanDerWaalsContact C-N 3.27Å; I165-P167 VanDerWaalsContact C-CD 3.43Å; I165-N224 PolarHBondContact O-ND2 2.85Å; I165-V226 HydrophobicContact CG2-CB 3.98Å; I165-V226 HydrophobicContact CG2-CG1 4.31Å; I165-L227 HydrophobicContact CB-CD1 4.43Å; I165-L227 HydrophobicContact CD1-CD1 4.03Å; I165-L227 HydrophobicContact CD1-CD2 3.62Å; I165-L227 HydrophobicContact CD1-CG 3.79Å; I165-L227 HydrophobicContact CG2-CD1 4.44Å; I165-L227 HydrophobicContact CG2-CG 4.29Å
166V96.1Very high96.9Very high0 Ų029.3 Ų29.30%014%0.137CC..  trans-129.663.8-175.3-76.30000111.4R162 M168 T169 V170 E223 N224 V264 F266R162-V166 PolarHBondContact O-N 2.94Å; V166-M168 PolarHBondContact O-N 3.09Å; V166-T169 PolarHBondContact O-N 2.67Å; V166-V170 HydrophobicContact CG2-CG2 4.25Å; V166-V170 WeakPolarHBondContact O-CB 3.48Å; V166-V170 VanDerWaalsContact O-CG2 3.31Å; V166-V170 WeakPolarHBondContact O-CG2 3.43Å; V166-V170 PolarHBondContact O-N 3.31Å; V166-E223 VanDerWaalsContact C-CD 3.45Å; V166-E223 VanDerWaalsContact CA-CD 3.43Å; V166-E223 WeakPolarHBondContact CA-OE2 3.13Å; V166-E223 HydrophobicContact CB-CG 4.42Å; V166-E223 VanDerWaalsContact CB-OE2 3.32Å; V166-E223 WeakPolarHBondContact CB-OE2 3.25Å; V166-E223 HydrophobicContact CG1-CB 4.15Å; V166-E223 HydrophobicContact CG1-CG 4.16Å; V166-N224 WeakPolarHBondContact CG1-ND2 3.29Å; V166-V264 HydrophobicContact CB-CG1 4.42Å; V166-V264 HydrophobicContact CG1-CG1 3.85Å; V166-F266 HydrophobicContact CG2-CB 3.48Å; V166-F266 VanDerWaalsContact CG2-CB 3.48Å
167P96.4Very high96.8Very high31 Ų3124.8 Ų24.820%0.20112%0.12CC..Hα-helixtrans-59.3-37.5-174.922.5-35.2000115.4A163 I165 V170 E171 E223A163-P167 WeakPolarHBondContact O-CB 3.29Å; A163-P167 WeakPolarHBondContact O-CD 3.38Å; I165-P167 VanDerWaalsContact C-CD 3.43Å; P167-V170 PolarHBondContact O-N 2.7Å; P167-E171 VanDerWaalsContact O-CB 3.29Å; P167-E171 WeakPolarHBondContact O-CB 3.49Å; P167-E171 PolarHBondContact O-N 3.34Å; P167-E223 WeakPolarHBondContact CD-OE1 3.25Å; P167-E223 WeakPolarHBondContact CG-OE1 3.28Å; P167-E223 VanDerWaalsContact N-OE1 3.11Å
168M96.1Very high96.8Very high99 Ų9926.8 Ų26.849%0.48813%0.133SC..Hα-helixtrans-67.1-43.7179.1-66.3-171.660.100110.9V166 V170 E171 N172 F216 E223V166-M168 PolarHBondContact O-N 3.09Å; M168-V170 VanDerWaalsContact C-N 3.34Å; M168-E171 PolarHBondContact O-N 2.86Å; M168-N172 PolarHBondContact O-N 2.93Å; M168-N172 VanDerWaalsContact O-N 3.09Å; M168-F216 HydrophobicContact CB-CE2 4.42Å; M168-F216 HydrophobicContact CB-CZ 4.49Å; M168-F216 HydrophobicContact CE-CE2 4.36Å; M168-F216 HydrophobicContact CE-CZ 4.41Å; M168-F216 WeakPolarHBondContact O-CE2 3.31Å; M168-E223 PolarHBondContact N-OE1 2.93Å; M168-E223 PolarHBondContact N-OE2 2.92Å; M168-E223 VanDerWaalsContact N-OE2 3.11Å
169T97.1Very high96.6Very high0 Ų027.8 Ų27.80%014%0.14CC..Hα-helixtrans-62.4-43.9177.4-50.90000111.1V166 N172 F173 F220 E223 M237 V264 F266V166-T169 PolarHBondContact O-N 2.67Å; T169-N172 PolarHBondContact O-N 2.86Å; T169-F173 PolarHBondContact O-N 2.97Å; T169-F173 VanDerWaalsContact O-N 3.09Å; T169-F220 HydrophobicContact CG2-CZ 4.31Å; T169-E223 PolarHBondContact N-OE2 2.95Å; T169-E223 PolarHBondContact OG1-OE2 3.11Å; T169-M237 HydrophobicContact CG2-CG 3.61Å; T169-M237 HydrophobicContact CG2-SD 3.94Å; T169-V264 HydrophobicContact CG2-CG1 4.23Å; T169-F266 HydrophobicContact CG2-CB 3.7Å; T169-F266 HydrophobicContact CG2-CD1 3.75Å; T169-F266 HydrophobicContact CG2-CD2 4.4Å; T169-F266 HydrophobicContact CG2-CE1 4.48Å; T169-F266 HydrophobicContact CG2-CG 3.7Å
170V97.4Very high96.5Very high2 Ų232.4 Ų32.41%0.01216%0.161CC..Hα-helixtrans-65.9-44.7178.8166.10000111.8P141 L161 A163 V166 P167 M168 N172 F173 R174 F266P141-V170 HydrophobicContact CG-CG1 4.03Å; L161-V170 HydrophobicContact CB-CB 4.25Å; L161-V170 HydrophobicContact CB-CG1 3.47Å; L161-V170 VanDerWaalsContact CB-CG1 3.47Å; L161-V170 HydrophobicContact CB-CG2 3.82Å; L161-V170 HydrophobicContact CD1-CG1 3.87Å; L161-V170 HydrophobicContact CG-CG1 4.33Å; A163-V170 HydrophobicContact CB-CB 4.31Å; A163-V170 HydrophobicContact CB-CG1 3.86Å; V166-V170 HydrophobicContact CG2-CG2 4.25Å; V166-V170 WeakPolarHBondContact O-CB 3.48Å; V166-V170 VanDerWaalsContact O-CG2 3.31Å; V166-V170 WeakPolarHBondContact O-CG2 3.43Å; V166-V170 PolarHBondContact O-N 3.31Å; P167-V170 PolarHBondContact O-N 2.7Å; M168-V170 VanDerWaalsContact C-N 3.34Å; V170-N172 VanDerWaalsContact C-N 3.3Å; V170-N172 PolarHBondContact O-N 3.32Å; V170-F173 PolarHBondContact O-N 3.36Å; V170-F173 VanDerWaalsContact O-N 3.17Å; V170-R174 VanDerWaalsContact O-CB 3.3Å; V170-R174 WeakPolarHBondContact O-CB 3.46Å; V170-R174 PolarHBondContact O-N 3.45Å; V170-F266 HydrophobicContact CG2-CB 4.33Å
171E96.8Very high96.3Very high68 Ų6835.4 Ų35.432%0.31817%0.172SC..Hα-helixtrans-63.3-38.9179.9-176.655.7-157.500111.7P167 M168 R174 C175 I215P167-E171 VanDerWaalsContact O-CB 3.29Å; P167-E171 WeakPolarHBondContact O-CB 3.49Å; P167-E171 PolarHBondContact O-N 3.34Å; M168-E171 PolarHBondContact O-N 2.86Å; E171-R174 IonicContact OE1-CZ 3.79Å; E171-R174 IonicContact OE1-NE 3.3Å; E171-R174 PolarHBondContact OE1-NE 3.2Å; E171-R174 IonicContact OE1-NH2 2.74Å; E171-R174 PolarHBondContact OE1-NH2 3.49Å; E171-R174 IonicContact OE2-CZ 3.28Å; E171-R174 IonicContact OE2-NE 3.86Å; E171-R174 PolarHBondContact OE2-NE 2.78Å; E171-R174 IonicContact OE2-NH2 2.8Å; E171-C175 WeakPolarHBondContact O-CB 3.42Å; E171-C175 PolarHBondContact O-N 2.74Å; E171-C175 PolarHBondContact O-SG 2.93Å; E171-C175 VanDerWaalsContact O-SG 3.4Å; E171-C175 PolarHBondContact OE1-SG 3.22Å; E171-I215 HydrophobicContact CG-CD1 4.05Å
172N97.4Very high96.1Very high0 Ų038.4 Ų38.40%020%0.203CC..Hα-helixtrans-58.7-50.7171.7175.565.5000111.8M168 T169 V170 L176 S214 I215 F216 F220 G246M168-N172 PolarHBondContact O-N 2.93Å; M168-N172 VanDerWaalsContact O-N 3.09Å; T169-N172 PolarHBondContact O-N 2.86Å; V170-N172 VanDerWaalsContact C-N 3.3Å; V170-N172 PolarHBondContact O-N 3.32Å; N172-L176 WeakPolarHBondContact O-CB 3.45Å; N172-L176 WeakPolarHBondContact O-CD1 3.41Å; N172-L176 WeakPolarHBondContact O-CG 3.41Å; N172-L176 PolarHBondContact O-N 2.75Å; N172-L176 VanDerWaalsContact O-N 3.11Å; N172-S214 WeakPolarHBondContact OD1-CA 3.22Å; N172-S214 VanDerWaalsContact OD1-CB 3.23Å; N172-S214 WeakPolarHBondContact OD1-CB 3.36Å; N172-I215 HydrophobicContact CB-CD1 4.45Å; N172-I215 HydrophobicContact CB-CG1 4.17Å; N172-I215 PolarHBondContact OD1-N 2.82Å; N172-F216 HydrophobicContact CB-CE2 3.94Å; N172-F220 HydrophobicContact CB-CE1 4.46Å; N172-G246 PolarHBondContact ND2-O 2.82Å
173F98.1Very high96Very high0 Ų037.4 Ų37.40%020%0.2CC..Hα-helixtrans-65-42.7-179.1-168.4-94000112.4V143 M145 L161 T169 V170 L176 C177 Y185 L235 F249 F266V143-F173 HydrophobicContact CG2-CD1 4.12Å; V143-F173 HydrophobicContact CG2-CE1 3.76Å; M145-F173 HydrophobicContact CE-CE1 3.87Å; M145-F173 HydrophobicContact CE-CE2 4.02Å; M145-F173 HydrophobicContact CE-CZ 3.29Å; L161-F173 HydrophobicContact CD1-CD1 3.89Å; L161-F173 HydrophobicContact CD2-CD1 3.88Å; L161-F173 HydrophobicContact CD2-CE1 4.15Å; T169-F173 PolarHBondContact O-N 2.97Å; T169-F173 VanDerWaalsContact O-N 3.09Å; V170-F173 PolarHBondContact O-N 3.36Å; V170-F173 VanDerWaalsContact O-N 3.17Å; F173-L176 PolarHBondContact O-N 2.79Å; F173-C177 PolarHBondContact O-N 2.81Å; F173-C177 PolarHBondContact O-SG 3.04Å; F173-Y185 AromaticContact CD2-CE2 3.66Å; F173-Y185 HydrophobicContact CD2-CE2 3.66Å; F173-Y185 AromaticContact CD2-CZ 3.93Å; F173-Y185 WeakPolarHBondContact CD2-OH 3.18Å; F173-Y185 AromaticContact CE2-CE2 3.66Å; F173-Y185 HydrophobicContact CE2-CE2 3.66Å; F173-Y185 HydrophobicContact CG-CE2 4.19Å; F173-Y185 HydrophobicContact CZ-CE2 4.22Å; F173-L235 HydrophobicContact CE1-CD1 3.96Å; F173-L235 HydrophobicContact CE2-CD2 4.42Å; F173-L235 HydrophobicContact CZ-CD1 3.95Å; F173-L235 HydrophobicContact CZ-CD2 4.06Å; F173-F249 HydrophobicContact CD2-CD1 4.41Å; F173-F249 HydrophobicContact CD2-CG 4.49Å; F173-F249 HydrophobicContact CE2-CB 4.18Å; F173-F249 AromaticContact CE2-CD1 3.62Å; F173-F249 HydrophobicContact CE2-CD1 3.62Å; F173-F249 AromaticContact CE2-CD2 3.92Å; F173-F249 HydrophobicContact CE2-CD2 3.92Å; F173-F249 AromaticContact CE2-CE1 3.87Å; F173-F249 HydrophobicContact CE2-CE1 3.87Å; F173-F249 HydrophobicContact CE2-CE2 4.16Å; F173-F249 AromaticContact CE2-CG 3.64Å; F173-F249 HydrophobicContact CE2-CG 3.64Å; F173-F249 HydrophobicContact CE2-CZ 4.15Å; F173-F249 HydrophobicContact CZ-CD2 4.37Å; F173-F249 HydrophobicContact CZ-CE1 4.43Å; F173-F249 HydrophobicContact CZ-CE2 4.27Å; F173-F249 HydrophobicContact CZ-CZ 4.31Å; F173-F266 HydrophobicContact CB-CD2 4.41Å; F173-F266 HydrophobicContact CB-CE2 3.75Å; F173-F266 HydrophobicContact CB-CZ 4.35Å; F173-F266 AromaticContact CD1-CE2 3.92Å; F173-F266 HydrophobicContact CD1-CE2 3.92Å; F173-F266 AromaticContact CD2-CE2 3.5Å; F173-F266 HydrophobicContact CD2-CE2 3.5Å; F173-F266 AromaticContact CD2-CZ 3.44Å; F173-F266 HydrophobicContact CD2-CZ 3.44Å; F173-F266 VanDerWaalsContact CD2-CZ 3.44Å; F173-F266 HydrophobicContact CE1-CE2 4.34Å; F173-F266 AromaticContact CE2-CE2 3.99Å; F173-F266 HydrophobicContact CE2-CE2 3.99Å; F173-F266 AromaticContact CE2-CZ 3.75Å; F173-F266 HydrophobicContact CE2-CZ 3.75Å; F173-F266 HydrophobicContact CG-CD2 4.49Å; F173-F266 AromaticContact CG-CE2 3.45Å; F173-F266 HydrophobicContact CG-CE2 3.45Å; F173-F266 VanDerWaalsContact CG-CE2 3.45Å; F173-F266 AromaticContact CG-CZ 3.92Å; F173-F266 HydrophobicContact CG-CZ 3.92Å; F173-F266 HydrophobicContact CZ-CE2 4.36Å; F173-F266 HydrophobicContact CZ-CZ 4.44Å
174R97.4Very high96.1Very high26 Ų2637.1 Ų37.110%0.09820%0.198CC..Hα-helixtrans-58.4-52.7177.4-171.6-158.370.169.54111.2P141 V143 L161 V170 E171 L176 C177 T178 E180 E300P141-R174 HydrophobicContact CB-CG 4.47Å; V143-R174 HydrophobicContact CG1-CG 4.31Å; L161-R174 HydrophobicContact CD1-CB 4.26Å; V170-R174 VanDerWaalsContact O-CB 3.3Å; V170-R174 WeakPolarHBondContact O-CB 3.46Å; V170-R174 PolarHBondContact O-N 3.45Å; E171-R174 IonicContact OE1-CZ 3.79Å; E171-R174 IonicContact OE1-NE 3.3Å; E171-R174 PolarHBondContact OE1-NE 3.2Å; E171-R174 IonicContact OE1-NH2 2.74Å; E171-R174 PolarHBondContact OE1-NH2 3.49Å; E171-R174 IonicContact OE2-CZ 3.28Å; E171-R174 IonicContact OE2-NE 3.86Å; E171-R174 PolarHBondContact OE2-NE 2.78Å; E171-R174 IonicContact OE2-NH2 2.8Å; R174-L176 VanDerWaalsContact C-N 3.27Å; R174-L176 PolarHBondContact O-N 2.92Å; R174-C177 WeakPolarHBondContact O-CA 3.5Å; R174-C177 WeakPolarHBondContact O-CB 3.32Å; R174-C177 PolarHBondContact O-N 3.05Å; R174-T178 PolarHBondContact O-N 2.67Å; R174-T178 PolarHBondContact O-OG1 2.91Å; R174-E180 IonicContact CZ-OE1 2.89Å; R174-E180 IonicContact CZ-OE2 3.02Å; R174-E180 VanDerWaalsContact CZ-OE2 3.28Å; R174-E180 IonicContact NH1-OE2 3.37Å; R174-E180 PolarHBondContact NH1-OE2 2.77Å; R174-E180 IonicContact NH2-OE1 2.81Å; R174-E180 PolarHBondContact NH2-OE1 2.93Å; R174-E180 IonicContact NH2-OE2 2.96Å; R174-E180 PolarHBondContact NH2-OE2 2.9Å; R174-E300 WeakPolarHBondContact CD-OE1 3.48Å; R174-E300 VanDerWaalsContact CD-OE2 3.27Å; R174-E300 WeakPolarHBondContact CD-OE2 3.37Å; R174-E300 WeakPolarHBondContact CG-OE2 3.45Å; R174-E300 IonicContact CZ-OE2 3.53Å; R174-E300 IonicContact NE-OE2 2.7Å; R174-E300 IonicContact NH1-OE2 2.76Å; R174-E300 PolarHBondContact NH1-OE2 3.05Å
175C97.2Very high96.3Very high1 Ų133.5 Ų33.51%0.00718%0.179CC..Hα-helixtrans-57.8-38.4176.8-80.10000112.9E171 C177 T178 H179 E180 K181 I215E171-C175 WeakPolarHBondContact O-CB 3.42Å; E171-C175 PolarHBondContact O-N 2.74Å; E171-C175 PolarHBondContact O-SG 2.93Å; E171-C175 VanDerWaalsContact O-SG 3.4Å; E171-C175 PolarHBondContact OE1-SG 3.22Å; C175-C177 VanDerWaalsContact C-N 3.32Å; C175-T178 WeakPolarHBondContact CA-OG1 3.46Å; C175-T178 PolarHBondContact O-N 3.5Å; C175-T178 PolarHBondContact O-OG1 2.85Å; C175-H179 PolarHBondContact O-N 2.71Å; C175-E180 HydrophobicContact CB-CG 4.27Å; C175-E180 PolarHBondContact SG-OE1 3.27Å; C175-E180 VanDerWaalsContact SG-OE1 3.36Å; C175-K181 HydrophobicContact CB-CG 4.26Å; C175-I215 HydrophobicContact CB-CD1 4.2Å; C175-I215 HydrophobicContact CB-CG2 3.56Å
176L97.5Very high96.5Very high0 Ų037.1 Ų37.10%019%0.193CC..Hα-helixtrans-71.7-27.4177.9-69.7170.8000112.3N172 F173 R174 F183 G184 Y185 F204N172-L176 WeakPolarHBondContact O-CB 3.45Å; N172-L176 WeakPolarHBondContact O-CD1 3.41Å; N172-L176 WeakPolarHBondContact O-CG 3.41Å; N172-L176 PolarHBondContact O-N 2.75Å; N172-L176 VanDerWaalsContact O-N 3.11Å; F173-L176 PolarHBondContact O-N 2.79Å; R174-L176 VanDerWaalsContact C-N 3.27Å; R174-L176 PolarHBondContact O-N 2.92Å; L176-F183 HydrophobicContact CD2-CD2 3.66Å; L176-F183 HydrophobicContact CD2-CE2 3.65Å; L176-G184 CarbonylContact O-C 3.44Å; L176-G184 WeakPolarHBondContact O-CA 3.37Å; L176-Y185 HydrophobicContact CB-CD1 4.46Å; L176-Y185 HydrophobicContact CB-CD2 3.69Å; L176-Y185 HydrophobicContact CB-CE1 4.14Å; L176-Y185 HydrophobicContact CB-CE2 3.32Å; L176-Y185 HydrophobicContact CB-CG 4.26Å; L176-Y185 HydrophobicContact CD1-CE1 4.05Å; L176-Y185 HydrophobicContact CD1-CE2 4.19Å; L176-Y185 WeakPolarHBondContact CD1-OH 3.4Å; L176-Y185 HydrophobicContact CG-CE2 4.4Å; L176-Y185 PolarHBondContact O-N 3.04Å; L176-F204 HydrophobicContact CD2-CE1 3.69Å; L176-F204 HydrophobicContact CD2-CZ 4.06Å
177C97.5Very high96.5Very high1 Ų139.3 Ų39.31%0.00722%0.216CC..Hα-helixtrans-71.8-45.9169-74.50000111.9V143 F173 R174 C175 H179 C298V143-C177 HydrophobicContact CB-CB 4.32Å; V143-C177 HydrophobicContact CG1-CB 4.3Å; F173-C177 PolarHBondContact O-N 2.81Å; F173-C177 PolarHBondContact O-SG 3.04Å; R174-C177 WeakPolarHBondContact O-CA 3.5Å; R174-C177 WeakPolarHBondContact O-CB 3.32Å; R174-C177 PolarHBondContact O-N 3.05Å; C175-C177 VanDerWaalsContact C-N 3.32Å; C177-H179 VanDerWaalsContact C-N 3.34Å; C177-C298 CarbonylContact O-C 3.6Å; C177-C298 VanDerWaalsContact O-C 3.3Å; C177-C298 VanDerWaalsContact O-O 3.11Å; C177-C298 PolarHBondContact O-SG 2.92Å
178T96.9Very high96.5Very high42 Ų4237.9 Ų37.926%0.25821%0.206SC..Hα-helixtrans-77.5-17.9-176.560.90000114R174 C175 E180 E300R174-T178 PolarHBondContact O-N 2.67Å; R174-T178 PolarHBondContact O-OG1 2.91Å; C175-T178 WeakPolarHBondContact CA-OG1 3.46Å; C175-T178 PolarHBondContact O-N 3.5Å; C175-T178 PolarHBondContact O-OG1 2.85Å; T178-E180 PolarHBondContact O-N 2.95Å; T178-E180 WeakPolarHBondContact OG1-CG 3.09Å; T178-E180 PolarHBondContact OG1-OE2 3.5Å; T178-E300 HydrophobicContact CG2-CB 3.62Å
179H94.9Very high96.5Very high74 Ų7433.8 Ų33.834%0.34319%0.187SC..THydrogen-bonded Turntrans64.714-176.2-129.599.3000114.3C175 C177 K181 G182 F183 G184C175-H179 PolarHBondContact O-N 2.71Å; C177-H179 VanDerWaalsContact C-N 3.34Å; H179-K181 PolarHBondContact O-N 3.17Å; H179-K181 VanDerWaalsContact O-N 3.13Å; H179-G182 PolarHBondContact O-N 3.32Å; H179-F183 PolarHBondContact CD2-N 3.03Å; H179-F183 VanDerWaalsContact NE2-CA 3.28Å; H179-F183 WeakPolarHBondContact NE2-CA 3.35Å; H179-G184 PolarHBondContact CE1-N 3.24Å; H179-G184 WeakPolarHBondContact ND1-CA 3.44Å; H179-G184 PolarHBondContact ND1-N 3.07Å; H179-G184 PolarHBondContact NE2-N 3.06Å
180E95Very high96.6Very high96 Ų9633.9 Ų33.945%0.44919%0.188SC..THydrogen-bonded Turntrans-64.7-21-172.967.4-172.3-120.600114.1R174 C175 T178 G182R174-E180 IonicContact CZ-OE1 2.89Å; R174-E180 IonicContact CZ-OE2 3.02Å; R174-E180 VanDerWaalsContact CZ-OE2 3.28Å; R174-E180 IonicContact NH1-OE2 3.37Å; R174-E180 PolarHBondContact NH1-OE2 2.77Å; R174-E180 IonicContact NH2-OE1 2.81Å; R174-E180 PolarHBondContact NH2-OE1 2.93Å; R174-E180 IonicContact NH2-OE2 2.96Å; R174-E180 PolarHBondContact NH2-OE2 2.9Å; C175-E180 HydrophobicContact CB-CG 4.27Å; C175-E180 PolarHBondContact SG-OE1 3.27Å; C175-E180 VanDerWaalsContact SG-OE1 3.36Å; T178-E180 PolarHBondContact O-N 2.95Å; T178-E180 WeakPolarHBondContact OG1-CG 3.09Å; T178-E180 PolarHBondContact OG1-OE2 3.5Å; E180-G182 VanDerWaalsContact C-N 3.3Å
181K92.9Very high96.5Very high118 Ų11835.2 Ų35.251%0.51319%0.194SC..THydrogen-bonded Turntrans-89.69.6174.8-57-60.4-177.5-1780113.2C175 H179 F183 I215C175-K181 HydrophobicContact CB-CG 4.26Å; H179-K181 PolarHBondContact O-N 3.17Å; H179-K181 VanDerWaalsContact O-N 3.13Å; K181-F183 VanDerWaalsContact C-N 3.33Å; K181-F183 HydrophobicContact CB-CD1 4.44Å; K181-F183 HydrophobicContact CB-CE1 3.97Å; K181-F183 HydrophobicContact CB-CZ 4.24Å; K181-F183 VanDerWaalsContact O-CD1 3.27Å; K181-F183 WeakPolarHBondContact O-CD1 3.37Å; K181-F183 WeakPolarHBondContact O-CE1 3.45Å; K181-I215 HydrophobicContact CG-CB 4.47Å; K181-I215 HydrophobicContact CG-CG2 3.99Å
182G94.3Very high96.6Very high63 Ų6336.5 Ų36.565%0.64920%0.196SC*.SBendtrans81.36.5178.600000115.2H179 E180H179-G182 PolarHBondContact O-N 3.32Å; E180-G182 VanDerWaalsContact C-N 3.3Å
183F95.7Very high96.6Very high41 Ų4136.5 Ų36.518%0.1820%0.196CC..  trans-150.1160172.657.8-89.7000109.6L176 H179 K181 F204 K213L176-F183 HydrophobicContact CD2-CD2 3.66Å; L176-F183 HydrophobicContact CD2-CE2 3.65Å; H179-F183 PolarHBondContact CD2-N 3.03Å; H179-F183 VanDerWaalsContact NE2-CA 3.28Å; H179-F183 WeakPolarHBondContact NE2-CA 3.35Å; K181-F183 VanDerWaalsContact C-N 3.33Å; K181-F183 HydrophobicContact CB-CD1 4.44Å; K181-F183 HydrophobicContact CB-CE1 3.97Å; K181-F183 HydrophobicContact CB-CZ 4.24Å; K181-F183 VanDerWaalsContact O-CD1 3.27Å; K181-F183 WeakPolarHBondContact O-CD1 3.37Å; K181-F183 WeakPolarHBondContact O-CE1 3.45Å; F183-F204 HydrophobicContact CB-CE2 4.23Å; F183-F204 HydrophobicContact CD2-CE1 4.36Å; F183-F204 AromaticContact CD2-CE2 3.86Å; F183-F204 HydrophobicContact CD2-CE2 3.86Å; F183-F204 AromaticContact CD2-CZ 3.5Å; F183-F204 HydrophobicContact CD2-CZ 3.5Å; F183-F204 HydrophobicContact CE2-CZ 4.07Å; F183-F204 HydrophobicContact CG-CE2 4.38Å; F183-F204 HydrophobicContact CG-CZ 4.44Å; F183-K213 HydrophobicContact CD2-CG 4.42Å; F183-K213 HydrophobicContact CE2-CD 4.32Å; F183-K213 HydrophobicContact CE2-CG 4.07Å; F183-K213 HydrophobicContact CZ-CD 4.4Å
184G96.2Very high96.6Very high4 Ų437.8 Ų37.84%0.04120%0.203CC..  trans171.2-167.6-176.100000114.7L176 H179 F204L176-G184 CarbonylContact O-C 3.44Å; L176-G184 WeakPolarHBondContact O-CA 3.37Å; H179-G184 PolarHBondContact CE1-N 3.24Å; H179-G184 WeakPolarHBondContact ND1-CA 3.44Å; H179-G184 PolarHBondContact ND1-N 3.07Å; H179-G184 PolarHBondContact NE2-N 3.06Å; G184-F204 WeakPolarHBondContact O-CB 3.4Å
185Y98.1Very high96.5Very high0 Ų039 Ų390%021%0.213CC..SBendtrans-79.5-18.9-171.1-63.3-48.2000115.2M145 F173 L176 G187 S188 F204 S247 F249M145-Y185 HydrophobicContact CE-CD2 3.7Å; M145-Y185 HydrophobicContact CE-CE2 4.16Å; M145-Y185 HydrophobicContact CE-CG 4.32Å; F173-Y185 AromaticContact CD2-CE2 3.66Å; F173-Y185 HydrophobicContact CD2-CE2 3.66Å; F173-Y185 AromaticContact CD2-CZ 3.93Å; F173-Y185 WeakPolarHBondContact CD2-OH 3.18Å; F173-Y185 AromaticContact CE2-CE2 3.66Å; F173-Y185 HydrophobicContact CE2-CE2 3.66Å; F173-Y185 HydrophobicContact CG-CE2 4.19Å; F173-Y185 HydrophobicContact CZ-CE2 4.22Å; L176-Y185 HydrophobicContact CB-CD1 4.46Å; L176-Y185 HydrophobicContact CB-CD2 3.69Å; L176-Y185 HydrophobicContact CB-CE1 4.14Å; L176-Y185 HydrophobicContact CB-CE2 3.32Å; L176-Y185 HydrophobicContact CB-CG 4.26Å; L176-Y185 HydrophobicContact CD1-CE1 4.05Å; L176-Y185 HydrophobicContact CD1-CE2 4.19Å; L176-Y185 WeakPolarHBondContact CD1-OH 3.4Å; L176-Y185 HydrophobicContact CG-CE2 4.4Å; L176-Y185 PolarHBondContact O-N 3.04Å; Y185-G187 PolarHBondContact O-N 2.96Å; Y185-S188 VanDerWaalsContact O-CB 3.26Å; Y185-S188 WeakPolarHBondContact O-CB 3.15Å; Y185-S188 PolarHBondContact O-N 2.87Å; Y185-S188 PolarHBondContact O-OG 3.28Å; Y185-F204 HydrophobicContact CD1-CD1 4.3Å; Y185-F204 HydrophobicContact CE1-CD1 4.46Å; Y185-S247 WeakPolarHBondContact CE1-O 3.19Å; Y185-S247 PolarHBondContact OH-O 3.27Å; Y185-F249 HydrophobicContact CD1-CE1 4.16Å; Y185-F249 HydrophobicContact CD2-CE1 4.49Å; Y185-F249 HydrophobicContact CE1-CD1 4.04Å; Y185-F249 AromaticContact CE1-CE1 3.91Å; Y185-F249 HydrophobicContact CE1-CE1 3.91Å; Y185-F249 HydrophobicContact CE2-CD1 4.48Å; Y185-F249 HydrophobicContact CE2-CE1 4.23Å; Y185-F249 HydrophobicContact CG-CE1 4.45Å; Y185-F249 AromaticContact CZ-CD1 3.89Å; Y185-F249 AromaticContact CZ-CE1 3.93Å
186K97.3Very high96.4Very high113 Ų11345.9 Ų45.949%0.49125%0.246SC..THydrogen-bonded Turntrans-55.5123.3179.5-174.8170-176.41560110.8S188 D297 C298K186-S188 VanDerWaalsContact C-N 3.32Å; K186-D297 WeakPolarHBondContact CD-OD1 3.23Å; K186-D297 WeakPolarHBondContact CE-OD1 2.93Å; K186-D297 IonicContact NZ-OD1 3.71Å; K186-D297 PolarHBondContact NZ-OD1 3.14Å; K186-D297 IonicContact NZ-OD2 3.88Å; K186-C298 PolarHBondContact N-SG 2.59Å; K186-C298 VanDerWaalsContact N-SG 3.45Å
187G95.6Very high96.3Very high46 Ų4647.7 Ų47.747%0.47425%0.254SS..THydrogen-bonded Turntrans86.2-10.5-177.200000115.2Y185 I295Y185-G187 PolarHBondContact O-N 2.96Å; G187-I295 WeakPolarHBondContact CA-O 3.19Å; G187-I295 PolarHBondContact N-O 3.22Å
188S96.9Very high96.2Very high1 Ų147.8 Ų47.81%0.00725%0.254CS..  trans-75.2163.6176.175.90000111.9Y185 K186 I294 I295Y185-S188 VanDerWaalsContact O-CB 3.26Å; Y185-S188 WeakPolarHBondContact O-CB 3.15Å; Y185-S188 PolarHBondContact O-N 2.87Å; Y185-S188 PolarHBondContact O-OG 3.28Å; K186-S188 VanDerWaalsContact C-N 3.32Å; S188-I294 WeakPolarHBondContact O-CA 3.42Å; S188-I294 WeakPolarHBondContact O-CG2 3.35Å; S188-I295 PolarHBondContact O-N 3.03Å
189S96.6Very high96.3Very high13 Ų1345.8 Ų45.89%0.09124%0.242CC..EExtended strand (participates in β ladder)trans-118.5152.6-176.656.60000113.5H191 V293S189-H191 PolarHBondContact O-N 2.98Å; S189-V293 CarbonylContact C-O 3.3Å; S189-V293 WeakPolarHBondContact CA-O 3.31Å; S189-V293 WeakPolarHBondContact CB-O 3.48Å
190F97.9Very high96.4Very high2 Ų243.6 Ų43.61%0.00923%0.232CC..EExtended strand (participates in β ladder)trans-76.399.9161.4-69.1-94.8000108I147 I193 C199 Q200 F249 I251 M279 P289 V293 I295I147-F190 HydrophobicContact CD1-CE2 3.78Å; I147-F190 HydrophobicContact CD1-CZ 4.48Å; F190-I193 HydrophobicContact CB-CD1 3.97Å; F190-I193 HydrophobicContact CB-CG1 4.12Å; F190-C199 HydrophobicContact CD1-CB 4.03Å; F190-C199 HydrophobicContact CE1-CB 4.4Å; F190-Q200 CarbonylContact C-O 3.43Å; F190-Q200 WeakPolarHBondContact CA-O 3.1Å; F190-F249 AromaticContact CE1-CE2 3.94Å; F190-F249 HydrophobicContact CE1-CE2 3.94Å; F190-F249 HydrophobicContact CE1-CZ 4.07Å; F190-F249 HydrophobicContact CZ-CE2 4.1Å; F190-F249 AromaticContact CZ-CZ 3.94Å; F190-F249 HydrophobicContact CZ-CZ 3.94Å; F190-I251 HydrophobicContact CE1-CD1 3.86Å; F190-I251 HydrophobicContact CZ-CD1 4Å; F190-M279 HydrophobicContact CD1-CE 3.73Å; F190-M279 HydrophobicContact CD2-CE 3.51Å; F190-M279 HydrophobicContact CE1-CE 3.66Å; F190-M279 HydrophobicContact CE2-CE 3.42Å; F190-M279 VanDerWaalsContact CE2-CE 3.42Å; F190-M279 HydrophobicContact CG-CE 3.66Å; F190-M279 HydrophobicContact CZ-CE 3.51Å; F190-P289 WeakPolarHBondContact O-CG 3.39Å; F190-V293 HydrophobicContact CB-CB 4.16Å; F190-V293 HydrophobicContact CB-CG1 4.22Å; F190-V293 HydrophobicContact CD2-CG1 3.86Å; F190-V293 HydrophobicContact CG-CG1 4.34Å; F190-V293 PolarHBondContact N-O 2.89Å; F190-I295 HydrophobicContact CD2-CG1 4.28Å; F190-I295 HydrophobicContact CE2-CD1 3.9Å; F190-I295 HydrophobicContact CE2-CG1 3.57Å; F190-I295 HydrophobicContact CZ-CD1 4.24Å; F190-I295 HydrophobicContact CZ-CG1 4.33Å
191H96.6Very high96.6Very high31 Ų3139 Ų3914%0.14421%0.21CC..  trans-87.9-17.6-171.158.6-91.2000112.6S189 Q200 G209 Q248 P289S189-H191 PolarHBondContact O-N 2.98Å; H191-Q200 PolarHBondContact N-O 3.38Å; H191-Q200 VanDerWaalsContact N-O 3.14Å; H191-G209 WeakPolarHBondContact NE2-CA 3.44Å; H191-Q248 PolarHBondContact CE1-OE1 2.83Å; H191-P289 WeakPolarHBondContact O-CD 3.38Å
192R97.6Very high96.7Very high95 Ų9533.4 Ų33.436%0.35819%0.186SC..EExtended strand (participates in β ladder)trans-136.4114.8178.2-174.9178.9176.1-111.32.7110.9M198 Q200 G287R192-M198 HydrophobicContact CG-CE 4.2Å; R192-Q200 HydrophobicContact CB-CB 4.21Å; R192-Q200 PolarHBondContact N-O 3.32Å; R192-Q200 WeakPolarHBondContact O-CA 3.43Å; R192-Q200 WeakPolarHBondContact O-CB 3.19Å; R192-Q200 PolarHBondContact O-N 2.95Å; R192-G287 CarbonylContact C-O 3.56Å; R192-G287 VanDerWaalsContact CA-O 3.23Å; R192-G287 WeakPolarHBondContact CA-O 3.31Å
193I98.1Very high96.7Very high0 Ų030.4 Ų30.40%016%0.155CC..EExtended strand (participates in β ladder)trans-130.3117.2-179.7-57.1174.7000108.6F190 C199 G283 T284 G287 P289 V293F190-I193 HydrophobicContact CB-CD1 3.97Å; F190-I193 HydrophobicContact CB-CG1 4.12Å; I193-C199 HydrophobicContact CG1-CB 4.34Å; I193-G283 WeakPolarHBondContact O-CA 3.25Å; I193-T284 PolarHBondContact O-N 3.35Å; I193-G287 PolarHBondContact N-O 3.18Å; I193-G287 CarbonylContact O-C 3.59Å; I193-G287 WeakPolarHBondContact O-CA 3.36Å; I193-P289 HydrophobicContact CB-CG 4.49Å; I193-P289 HydrophobicContact CD1-CB 4.22Å; I193-P289 HydrophobicContact CD1-CG 4.02Å; I193-P289 HydrophobicContact CG1-CG 4.1Å; I193-V293 HydrophobicContact CD1-CB 4.16Å; I193-V293 HydrophobicContact CD1-CG2 3.74Å
194I97.6Very high96.6Very high27 Ų2729.8 Ų29.814%0.13815%0.152CC..EExtended strand (participates in β ladder)trans-117.5117.5177.5-62.1176.4000107.9F197 M198I194-F197 HydrophobicContact CB-CB 4.05Å; I194-F197 HydrophobicContact CB-CD1 4.02Å; I194-F197 HydrophobicContact CD1-CD1 4.02Å; I194-F197 HydrophobicContact CD1-CE1 4.49Å; I194-F197 HydrophobicContact CG2-CB 3.82Å; I194-F197 HydrophobicContact CG2-CD1 4.12Å; I194-F197 HydrophobicContact CG2-CG 4.48Å; I194-F197 PolarHBondContact O-N 2.77Å; I194-M198 HydrophobicContact CB-CE 4.02Å; I194-M198 HydrophobicContact CD1-CE 3.89Å; I194-M198 HydrophobicContact CG1-CE 3.91Å; I194-M198 PolarHBondContact N-O 2.88Å; I194-M198 PolarHBondContact O-N 3.11Å; I194-M198 VanDerWaalsContact O-N 3.13Å
195P96.4Very high96.4Very high50 Ų5032.7 Ų32.733%0.32517%0.169SC..THydrogen-bonded Turntrans-59.5145.1177.1-21.733.4000111.8F197 E280P195-F197 PolarHBondContact O-N 2.9Å; P195-E280 HydrophobicContact CB-CG 4.23Å
196Q94.5Very high96Very high146 Ų14636.8 Ų36.868%0.68219%0.191SC*.THydrogen-bonded Turntrans58.626.3-174.8-59.6160.134.600113.3E280Q196-E280 PolarHBondContact N-OE1 3.17Å
197F95.1Very high95.6Very high39 Ų3936 Ų3617%0.17119%0.189CC..THydrogen-bonded Turntrans-141.7-81.4177.2-175.9-147.5000110.5I194 P195 T253 T256 W258 L259I194-F197 HydrophobicContact CB-CB 4.05Å; I194-F197 HydrophobicContact CB-CD1 4.02Å; I194-F197 HydrophobicContact CD1-CD1 4.02Å; I194-F197 HydrophobicContact CD1-CE1 4.49Å; I194-F197 HydrophobicContact CG2-CB 3.82Å; I194-F197 HydrophobicContact CG2-CD1 4.12Å; I194-F197 HydrophobicContact CG2-CG 4.48Å; I194-F197 PolarHBondContact O-N 2.77Å; P195-F197 PolarHBondContact O-N 2.9Å; F197-T253 PolarHBondContact N-OG1 3.2Å; F197-T253 VanDerWaalsContact N-OG1 3.1Å; F197-T253 PolarHBondContact O-N 2.93Å; F197-T256 HydrophobicContact CD2-CG2 3.57Å; F197-T256 HydrophobicContact CE2-CG2 3.83Å; F197-W258 HydrophobicContact CD2-CH2 4.49Å; F197-W258 AromaticContact CD2-CZ2 3.61Å; F197-W258 HydrophobicContact CD2-CZ2 3.61Å; F197-W258 AromaticContact CE2-CE2 3.88Å; F197-W258 AromaticContact CE2-CZ2 3.54Å; F197-W258 HydrophobicContact CE2-CZ2 3.54Å; F197-W258 AromaticContact CE2-NE1 3.66Å; F197-L259 HydrophobicContact CE2-CD1 3.91Å; F197-L259 HydrophobicContact CZ-CD1 4.17Å
198M96.8Very high95.2Very high3 Ų338.4 Ų38.42%0.01519%0.191CC..EExtended strand (participates in β ladder)trans-164.7162.3-176.358.176.6-126.900114.1R192 I194 Q200 F250 I251R192-M198 HydrophobicContact CG-CE 4.2Å; I194-M198 HydrophobicContact CB-CE 4.02Å; I194-M198 HydrophobicContact CD1-CE 3.89Å; I194-M198 HydrophobicContact CG1-CE 3.91Å; I194-M198 PolarHBondContact N-O 2.88Å; I194-M198 PolarHBondContact O-N 3.11Å; I194-M198 VanDerWaalsContact O-N 3.13Å; M198-Q200 HydrophobicContact SD-CB 3.66Å; M198-F250 HydrophobicContact CB-CB 4.14Å; M198-F250 HydrophobicContact CB-CD2 3.76Å; M198-F250 HydrophobicContact CB-CG 4.29Å; M198-F250 HydrophobicContact CG-CB 4.23Å; M198-F250 HydrophobicContact CG-CD2 4.06Å; M198-F250 HydrophobicContact CG-CG 4.3Å; M198-F250 HydrophobicContact SD-CB 3.92Å; M198-F250 HydrophobicContact SD-CG 4.47Å; M198-I251 CarbonylContact C-O 3.57Å; M198-I251 VanDerWaalsContact CA-O 3.25Å; M198-I251 WeakPolarHBondContact CA-O 3.43Å; M198-I251 WeakPolarHBondContact CB-O 3.49Å
199C98Very high94.8Very high0 Ų039.6 Ų39.60%020%0.204CC..EExtended strand (participates in β ladder)trans-111.5109.8169.4-59.20000109.7F190 I193 F250 I251 L276 M279F190-C199 HydrophobicContact CD1-CB 4.03Å; F190-C199 HydrophobicContact CE1-CB 4.4Å; I193-C199 HydrophobicContact CG1-CB 4.34Å; C199-F250 CarbonylContact O-C 3.55Å; C199-F250 WeakPolarHBondContact O-CA 3.4Å; C199-I251 PolarHBondContact N-O 3.36Å; C199-I251 PolarHBondContact O-N 2.92Å; C199-L276 HydrophobicContact CB-CD1 4.47Å; C199-M279 HydrophobicContact CB-CE 4.31Å
200Q98.2Very high94.5Very high27 Ų2744 Ų4413%0.12623%0.23CC..EExtended strand (participates in β ladder)trans-99.6134.7-179179-179.1-11.600112.2F190 H191 R192 M198 A238 F249 F250F190-Q200 CarbonylContact C-O 3.43Å; F190-Q200 WeakPolarHBondContact CA-O 3.1Å; H191-Q200 PolarHBondContact N-O 3.38Å; H191-Q200 VanDerWaalsContact N-O 3.14Å; R192-Q200 HydrophobicContact CB-CB 4.21Å; R192-Q200 PolarHBondContact N-O 3.32Å; R192-Q200 WeakPolarHBondContact O-CA 3.43Å; R192-Q200 WeakPolarHBondContact O-CB 3.19Å; R192-Q200 PolarHBondContact O-N 2.95Å; M198-Q200 HydrophobicContact SD-CB 3.66Å; Q200-A238 HydrophobicContact CG-CB 4.37Å; Q200-F249 CarbonylContact C-O 3.53Å; Q200-F249 WeakPolarHBondContact CA-O 3.49Å; Q200-F250 HydrophobicContact CB-CB 4.03Å
201G97.4Very high94.2Very high0 Ų044.5 Ų44.50%024%0.236CC..EExtended strand (participates in β ladder)trans-147.2-161.5-179.200000112.1Q248 F249G201-Q248 VanDerWaalsContact O-CA 3.29Å; G201-Q248 WeakPolarHBondContact O-CA 3.42Å; G201-F249 PolarHBondContact N-O 2.98Å; G201-F249 PolarHBondContact O-N 3.4Å; G201-F249 VanDerWaalsContact O-N 3.11Å
202G95.3Very high94Very high0 Ų044 Ų440%024%0.239CC..  trans86.43.3174.100000116.2F204 S247G202-F204 PolarHBondContact O-N 3.49Å; G202-S247 WeakPolarHBondContact CA-O 3.46Å; G202-S247 CarbonylContact O-C 3.58Å; G202-S247 WeakPolarHBondContact O-CB 3.15Å; G202-S247 PolarHBondContact O-OG 3.4Å
203D95.3Very high93.8Very high0 Ų043.4 Ų43.40%024%0.239CC..  trans-84.391.6165.7-175.6-2000109.8T205 N206 H207 N208 G209 T210 G211 G212 Q248D203-T205 PolarHBondContact OD1-N 2.88Å; D203-T205 PolarHBondContact OD1-OG1 2.81Å; D203-N206 PolarHBondContact OD1-N 3.27Å; D203-H207 WeakPolarHBondContact O-CA 3.49Å; D203-H207 PolarHBondContact O-ND1 2.94Å; D203-H207 PolarHBondContact OD1-N 2.76Å; D203-H207 VanDerWaalsContact OD1-N 3.16Å; D203-H207 PolarHBondContact OD2-N 3.34Å; D203-H207 VanDerWaalsContact OD2-N 3.16Å; D203-N208 PolarHBondContact OD2-N 3.41Å; D203-N208 PolarHBondContact OD2-OD1 3.22Å; D203-G209 WeakPolarHBondContact OD2-CA 3.22Å; D203-G209 PolarHBondContact OD2-N 2.81Å; D203-T210 PolarHBondContact OD2-N 3.06Å; D203-G211 VanDerWaalsContact OD1-CA 3.28Å; D203-G211 WeakPolarHBondContact OD1-CA 3Å; D203-G211 PolarHBondContact OD2-N 3.09Å; D203-G211 VanDerWaalsContact OD2-N 3.09Å; D203-G212 PolarHBondContact OD1-N 3.4Å; D203-Q248 HydrophobicContact CB-CG 4.13Å
204F93.4Very high93.7Very high29 Ų2943.5 Ų43.513%0.12724%0.24CC..  trans-93.6-2.4177.261.7-102.8000113.7L176 F183 G184 Y185 G202 H207 K213 S247L176-F204 HydrophobicContact CD2-CE1 3.69Å; L176-F204 HydrophobicContact CD2-CZ 4.06Å; F183-F204 HydrophobicContact CB-CE2 4.23Å; F183-F204 HydrophobicContact CD2-CE1 4.36Å; F183-F204 AromaticContact CD2-CE2 3.86Å; F183-F204 HydrophobicContact CD2-CE2 3.86Å; F183-F204 AromaticContact CD2-CZ 3.5Å; F183-F204 HydrophobicContact CD2-CZ 3.5Å; F183-F204 HydrophobicContact CE2-CZ 4.07Å; F183-F204 HydrophobicContact CG-CE2 4.38Å; F183-F204 HydrophobicContact CG-CZ 4.44Å; G184-F204 WeakPolarHBondContact O-CB 3.4Å; Y185-F204 HydrophobicContact CD1-CD1 4.3Å; Y185-F204 HydrophobicContact CE1-CD1 4.46Å; G202-F204 PolarHBondContact O-N 3.49Å; F204-H207 PolarHBondContact O-CE1 3.34Å; F204-K213 HydrophobicContact CE2-CG 4.01Å; F204-K213 HydrophobicContact CZ-CG 3.63Å; F204-S247 VanDerWaalsContact CE1-CB 3.4Å; F204-S247 VanDerWaalsContact CE1-OG 3.25Å; F204-S247 WeakPolarHBondContact CE1-OG 3.14Å
205T91.5Very high93.6Very high65 Ų6544 Ų4440%0.39924%0.242SC..SBendtrans-101.6-47.5-17965.80000112.2D203 G211 G212D203-T205 PolarHBondContact OD1-N 2.88Å; D203-T205 PolarHBondContact OD1-OG1 2.81Å; T205-G211 VanDerWaalsContact OG1-CA 3.26Å; T205-G211 WeakPolarHBondContact OG1-CA 3.25Å; T205-G212 PolarHBondContact OG1-N 2.82Å
206N90.3Very high93.4Very high85 Ų8546.3 Ų46.346%0.45525%0.248SC..SBendtrans-111.3-16.5-175.2-62.6-1000112.3D203 N208 T210D203-N206 PolarHBondContact OD1-N 3.27Å; N206-N208 WeakPolarHBondContact CB-OD1 3.21Å; N206-N208 PolarHBondContact O-N 3.07Å; N206-N208 VanDerWaalsContact O-N 3.14Å; N206-T210 PolarHBondContact ND2-OG1 3.45Å
207H89.5Confident93.3Very high96 Ų9641.1 Ų41.144%0.44423%0.233SC..SBendtrans56.425.5178-53.9-61.8000115.1D203 F204D203-H207 WeakPolarHBondContact O-CA 3.49Å; D203-H207 PolarHBondContact O-ND1 2.94Å; D203-H207 PolarHBondContact OD1-N 2.76Å; D203-H207 VanDerWaalsContact OD1-N 3.16Å; D203-H207 PolarHBondContact OD2-N 3.34Å; D203-H207 VanDerWaalsContact OD2-N 3.16Å; F204-H207 PolarHBondContact O-CE1 3.34Å
208N87.3Confident93Very high98 Ų9849.9 Ų49.952%0.52427%0.265SS..SBendtrans-136.62.4-174.866.512.8000114D203 N206 T210D203-N208 PolarHBondContact OD2-N 3.41Å; D203-N208 PolarHBondContact OD2-OD1 3.22Å; N206-N208 WeakPolarHBondContact CB-OD1 3.21Å; N206-N208 PolarHBondContact O-N 3.07Å; N206-N208 VanDerWaalsContact O-N 3.14Å; N208-T210 WeakPolarHBondContact OD1-CB 3.26Å; N208-T210 WeakPolarHBondContact OD1-CG2 3.4Å; N208-T210 PolarHBondContact OD1-N 3.09Å; N208-T210 PolarHBondContact OD1-OG1 3.17Å
209G87.8Confident92.7Very high26 Ų2655 Ų5527%0.26829%0.287SS..SBendtrans93.21.5-179.300000114.5H191 D203 Q248H191-G209 WeakPolarHBondContact NE2-CA 3.44Å; D203-G209 WeakPolarHBondContact OD2-CA 3.22Å; D203-G209 PolarHBondContact OD2-N 2.81Å; G209-Q248 PolarHBondContact O-NE2 2.97Å; G209-Q248 PolarHBondContact O-OE1 2.82Å
210T90.1Very high92.5Very high104 Ų10455.6 Ų55.664%0.63829%0.29SS*.SBendtrans-98.8-13.8176.765.10000113.5D203 N206 N208D203-T210 PolarHBondContact OD2-N 3.06Å; N206-T210 PolarHBondContact ND2-OG1 3.45Å; N208-T210 WeakPolarHBondContact OD1-CB 3.26Å; N208-T210 WeakPolarHBondContact OD1-CG2 3.4Å; N208-T210 PolarHBondContact OD1-N 3.09Å; N208-T210 PolarHBondContact OD1-OG1 3.17Å
211G92Very high92.4Very high13 Ų1359.4 Ų59.413%0.13431%0.311CS..  trans-102.2-158.5-172.800000114.3D203 T205 Q248D203-G211 VanDerWaalsContact OD1-CA 3.28Å; D203-G211 WeakPolarHBondContact OD1-CA 3Å; D203-G211 PolarHBondContact OD2-N 3.09Å; D203-G211 VanDerWaalsContact OD2-N 3.09Å; T205-G211 VanDerWaalsContact OG1-CA 3.26Å; T205-G211 WeakPolarHBondContact OG1-CA 3.25Å; G211-Q248 PolarHBondContact O-NE2 3.02Å
212G92.4Very high92.3Very high21 Ų2160.5 Ų60.522%0.21632%0.317CS..  trans97.9154.4-176.500000113.5D203 T205 S247D203-G212 PolarHBondContact OD1-N 3.4Å; T205-G212 PolarHBondContact OG1-N 2.82Å; G212-S247 WeakPolarHBondContact CA-OG 3.44Å
213K93.3Very high92.2Very high82 Ų8263.1 Ų63.136%0.35733%0.329SS..  trans-151.1147.6173.862.4174.5-176.11730109.6F183 F204 S247F183-K213 HydrophobicContact CD2-CG 4.42Å; F183-K213 HydrophobicContact CE2-CD 4.32Å; F183-K213 HydrophobicContact CE2-CG 4.07Å; F183-K213 HydrophobicContact CZ-CD 4.4Å; F204-K213 HydrophobicContact CE2-CG 4.01Å; F204-K213 HydrophobicContact CZ-CG 3.63Å; K213-S247 PolarHBondContact N-OG 3.15Å; K213-S247 WeakPolarHBondContact O-CB 3.47Å
214S95.7Very high92.1Very high2 Ų265.1 Ų65.11%0.01434%0.339CS..BIsolated β-bridgetrans-81171.7173.474.10000111.5N172 F216 G217N172-S214 WeakPolarHBondContact OD1-CA 3.22Å; N172-S214 VanDerWaalsContact OD1-CB 3.23Å; N172-S214 WeakPolarHBondContact OD1-CB 3.36Å; S214-F216 PolarHBondContact O-N 3.25Å; S214-F216 PolarHBondContact OG-N 3.47Å; S214-F216 VanDerWaalsContact OG-N 3.15Å; S214-G217 CarbonylContact C-O 3.37Å; S214-G217 WeakPolarHBondContact CA-O 3.45Å; S214-G217 PolarHBondContact N-O 2.96Å; S214-G217 VanDerWaalsContact O-O 3.07Å; S214-G217 PolarHBondContact OG-N 3.48Å; S214-G217 PolarHBondContact OG-O 3.15Å
215I95.3Very high92.2Very high38 Ų3866.7 Ų66.720%0.19535%0.346CS..THydrogen-bonded Turntrans-69.1-19.1168.765.4172.3000113.3E171 N172 C175 K181E171-I215 HydrophobicContact CG-CD1 4.05Å; N172-I215 HydrophobicContact CB-CD1 4.45Å; N172-I215 HydrophobicContact CB-CG1 4.17Å; N172-I215 PolarHBondContact OD1-N 2.82Å; C175-I215 HydrophobicContact CB-CD1 4.2Å; C175-I215 HydrophobicContact CB-CG2 3.56Å; K181-I215 HydrophobicContact CG-CB 4.47Å; K181-I215 HydrophobicContact CG-CG2 3.99Å
216F93Very high92.4Very high99 Ų9968.2 Ų68.243%0.43436%0.355SS..THydrogen-bonded Turntrans-92.2-4.6-178.2-50.1-63.6000113M168 N172 S214 F220M168-F216 HydrophobicContact CB-CE2 4.42Å; M168-F216 HydrophobicContact CB-CZ 4.49Å; M168-F216 HydrophobicContact CE-CE2 4.36Å; M168-F216 HydrophobicContact CE-CZ 4.41Å; M168-F216 WeakPolarHBondContact O-CE2 3.31Å; N172-F216 HydrophobicContact CB-CE2 3.94Å; S214-F216 PolarHBondContact O-N 3.25Å; S214-F216 PolarHBondContact OG-N 3.47Å; S214-F216 VanDerWaalsContact OG-N 3.15Å; F216-F220 HydrophobicContact CD2-CB 4.25Å; F216-F220 HydrophobicContact CD2-CD1 4.39Å; F216-F220 HydrophobicContact CD2-CG 4.21Å
217G92.5Very high92.5Very high36 Ų3665.6 Ų65.637%0.37134%0.341SS..BIsolated β-bridgetrans135.2-158.7-173.600000112.1S214S214-G217 CarbonylContact C-O 3.37Å; S214-G217 WeakPolarHBondContact CA-O 3.45Å; S214-G217 PolarHBondContact N-O 2.96Å; S214-G217 VanDerWaalsContact O-O 3.07Å; S214-G217 PolarHBondContact OG-N 3.48Å; S214-G217 PolarHBondContact OG-O 3.15Å
218R87.3Confident92.9Very high223 Ų22365 Ų6584%0.84234%0.337SS*.SBendtrans-64.5-45.1-178.5-71.3-174.4179.4-170.30.4112.2
219K91.9Very high93.4Very high111 Ų11160.3 Ų60.348%0.48331%0.312SS..  trans-141.3158.5-177.5-68.7176.3167.8-170.10110.6S240 T244 N245K219-S240 PolarHBondContact NZ-OG 3.49Å; K219-T244 HydrophobicContact CD-CG2 3.91Å; K219-N245 CarbonylContact C-O 3.57Å; K219-N245 WeakPolarHBondContact CA-O 3.49Å
220F93.9Very high93.7Very high13 Ų1363.4 Ų63.46%0.05733%0.326CS..BIsolated β-bridgetrans-140.6165171.272-82.4000111.2T169 N172 F216 M237 N243 N245 G246T169-F220 HydrophobicContact CG2-CZ 4.31Å; N172-F220 HydrophobicContact CB-CE1 4.46Å; F216-F220 HydrophobicContact CD2-CB 4.25Å; F216-F220 HydrophobicContact CD2-CD1 4.39Å; F216-F220 HydrophobicContact CD2-CG 4.21Å; F220-M237 HydrophobicContact CE1-CE 4.07Å; F220-M237 HydrophobicContact CZ-CE 4.04Å; F220-N243 CarbonylContact O-C 3.56Å; F220-N245 HydrophobicContact CD1-CB 3.73Å; F220-N245 WeakPolarHBondContact CD1-O 3.23Å; F220-N245 HydrophobicContact CD2-CB 4.09Å; F220-N245 HydrophobicContact CE1-CB 3.39Å; F220-N245 HydrophobicContact CE2-CB 3.78Å; F220-N245 HydrophobicContact CG-CB 4.08Å; F220-N245 HydrophobicContact CZ-CB 3.42Å; F220-N245 VanDerWaalsContact CZ-CB 3.42Å; F220-N245 PolarHBondContact N-O 3.12Å; F220-N245 WeakPolarHBondContact O-CB 3.44Å; F220-N245 PolarHBondContact O-N 2.8Å; F220-G246 WeakPolarHBondContact CE1-O 3.48Å
221D95.1Very high93.9Very high107 Ų10760.1 Ų60.157%0.57231%0.309SS*.  trans-72.8161.7-171.3-63.8-15.4000113.4E223 N243 N245D221-E223 PolarHBondContact O-N 2.96Å; D221-N243 HydrophobicContact CB-CB 4.27Å; D221-N243 WeakPolarHBondContact OD1-CB 3.25Å; D221-N245 PolarHBondContact O-ND2 3.03Å
222D94.6Very high94.1Very high22 Ų2262 Ų6212%0.11832%0.319CS..  trans-74.7109.4170.4-65.3-52.8000109.5F225 P242 N243 N245 V264D222-F225 HydrophobicContact CB-CE1 4.18Å; D222-F225 HydrophobicContact CB-CE2 4.14Å; D222-F225 HydrophobicContact CB-CZ 3.54Å; D222-P242 WeakPolarHBondContact OD2-CA 3.34Å; D222-N243 PolarHBondContact N-OD1 3.19Å; D222-N243 PolarHBondContact OD2-N 2.88Å; D222-N245 WeakPolarHBondContact CA-ND2 3.26Å; D222-N245 PolarHBondContact N-ND2 3.05Å; D222-N245 PolarHBondContact OD1-ND2 3.41Å; D222-N245 PolarHBondContact OD1-OD1 3.4Å; D222-V264 HydrophobicContact CB-CG2 3.91Å
223E93.7Very high94.3Very high55 Ų5561.1 Ų61.126%0.25731%0.31SS..  trans-65.9-50.4-171.8-173.5167.3-165.200113V166 P167 M168 T169 D221V166-E223 VanDerWaalsContact C-CD 3.45Å; V166-E223 VanDerWaalsContact CA-CD 3.43Å; V166-E223 WeakPolarHBondContact CA-OE2 3.13Å; V166-E223 HydrophobicContact CB-CG 4.42Å; V166-E223 VanDerWaalsContact CB-OE2 3.32Å; V166-E223 WeakPolarHBondContact CB-OE2 3.25Å; V166-E223 HydrophobicContact CG1-CB 4.15Å; V166-E223 HydrophobicContact CG1-CG 4.16Å; P167-E223 WeakPolarHBondContact CD-OE1 3.25Å; P167-E223 WeakPolarHBondContact CG-OE1 3.28Å; P167-E223 VanDerWaalsContact N-OE1 3.11Å; M168-E223 PolarHBondContact N-OE1 2.93Å; M168-E223 PolarHBondContact N-OE2 2.92Å; M168-E223 VanDerWaalsContact N-OE2 3.11Å; T169-E223 PolarHBondContact N-OE2 2.95Å; T169-E223 PolarHBondContact OG1-OE2 3.11Å; D221-E223 PolarHBondContact O-N 2.96Å
224N93.4Very high94.5Very high42 Ų4257.8 Ų57.823%0.22530%0.296CS..  trans-167.2171.3165.561.475.8000110.9I165 V166 V226I165-N224 PolarHBondContact O-ND2 2.85Å; V166-N224 WeakPolarHBondContact CG1-ND2 3.29Å; N224-V226 HydrophobicContact CB-CG2 4.23Å; N224-V226 WeakPolarHBondContact OD1-CB 3.28Å; N224-V226 WeakPolarHBondContact OD1-CG2 3.32Å; N224-V226 PolarHBondContact OD1-N 3.45Å; N224-V226 VanDerWaalsContact OD1-N 3.16Å
225F95.8Very high94.7Very high62 Ų6257.7 Ų57.727%0.27230%0.296SS..  trans-118.735.4176.8-55.3-72.1000112.1D222 K228 G261 V264D222-F225 HydrophobicContact CB-CE1 4.18Å; D222-F225 HydrophobicContact CB-CE2 4.14Å; D222-F225 HydrophobicContact CB-CZ 3.54Å; F225-K228 VanDerWaalsContact O-CE 3.26Å; F225-K228 WeakPolarHBondContact O-CE 3.2Å; F225-K228 PolarHBondContact O-NZ 2.79Å; F225-G261 WeakPolarHBondContact CZ-O 3.47Å; F225-V264 HydrophobicContact CD1-CG2 4.31Å; F225-V264 HydrophobicContact CE1-CG2 3.92Å
226V94.8Very high94.8Very high97 Ų9755.9 Ų55.959%0.58829%0.286SS*.  trans-66.3-47.3180174.20000110.3I165 N224I165-V226 HydrophobicContact CG2-CB 3.98Å; I165-V226 HydrophobicContact CG2-CG1 4.31Å; N224-V226 HydrophobicContact CB-CG2 4.23Å; N224-V226 WeakPolarHBondContact OD1-CB 3.28Å; N224-V226 WeakPolarHBondContact OD1-CG2 3.32Å; N224-V226 PolarHBondContact OD1-N 3.45Å; N224-V226 VanDerWaalsContact OD1-N 3.16Å
227L94.2Very high95Very high30 Ų3051.2 Ų51.216%0.15727%0.266CS..SBendtrans-74.2145.1175-66.5174000111R162 I165 V265R162-L227 HydrophobicContact CB-CD1 3.78Å; R162-L227 HydrophobicContact CG-CD1 3.78Å; I165-L227 HydrophobicContact CB-CD1 4.43Å; I165-L227 HydrophobicContact CD1-CD1 4.03Å; I165-L227 HydrophobicContact CD1-CD2 3.62Å; I165-L227 HydrophobicContact CD1-CG 3.79Å; I165-L227 HydrophobicContact CG2-CD1 4.44Å; I165-L227 HydrophobicContact CG2-CG 4.29Å; L227-V265 HydrophobicContact CB-CB 3.64Å; L227-V265 HydrophobicContact CB-CG1 3.82Å; L227-V265 HydrophobicContact CD1-CG1 4.44Å; L227-V265 WeakPolarHBondContact CD1-O 3.2Å
228K96.8Very high95.2Very high84 Ų8450 Ų5037%0.36525%0.252SS..  trans-126.6155.1-171.1-57.5-62.1176.2-170.20110.9F225 T230 Q234 D260F225-K228 VanDerWaalsContact O-CE 3.26Å; F225-K228 WeakPolarHBondContact O-CE 3.2Å; F225-K228 PolarHBondContact O-NZ 2.79Å; K228-T230 VanDerWaalsContact C-N 3.26Å; K228-T230 HydrophobicContact CB-CG2 3.93Å; K228-T230 PolarHBondContact O-N 2.86Å; K228-Q234 PolarHBondContact O-NE2 2.7Å; K228-Q234 VanDerWaalsContact O-NE2 3.12Å; K228-Q234 PolarHBondContact O-OE1 3.09Å; K228-D260 WeakPolarHBondContact CA-OD1 2.97Å; K228-D260 HydrophobicContact CD-CB 3.99Å
229H97.1Very high95.5Very high0 Ų041.2 Ų41.20%022%0.222CC..  trans-84.166.5-179.6-57.884.1000111.4Q234 S236 F250 K255 T256 D260 V265H229-Q234 VanDerWaalsContact C-OE1 3.23Å; H229-Q234 VanDerWaalsContact CA-OE1 3.25Å; H229-S236 VanDerWaalsContact NE2-CB 3.32Å; H229-S236 WeakPolarHBondContact NE2-CB 3.32Å; H229-S236 PolarHBondContact NE2-OG 3.46Å; H229-F250 AromaticContact NE2-CE2 3.91Å; H229-F250 AromaticContact NE2-CZ 3.58Å; H229-K255 WeakPolarHBondContact O-CG 3.43Å; H229-T256 VanDerWaalsContact CB-O 3.28Å; H229-T256 WeakPolarHBondContact CB-O 3.47Å; H229-T256 VanDerWaalsContact CB-OG1 3.27Å; H229-T256 WeakPolarHBondContact CB-OG1 3.31Å; H229-T256 PolarHBondContact O-N 3.2Å; H229-D260 IonicContact CE1-OD1 3.45Å; H229-D260 IonicContact CG-OD1 3.34Å; H229-D260 PolarHBondContact N-OD1 2.91Å; H229-D260 IonicContact ND1-OD1 2.76Å; H229-D260 PolarHBondContact ND1-OD1 2.94Å; H229-V265 WeakPolarHBondContact CE1-CG2 3.44Å; H229-V265 WeakPolarHBondContact NE2-CG2 3.27Å
230T95Very high95.3Very high90 Ų9040.1 Ų40.155%0.55223%0.228SC*.  trans-86.6-19.2-173.550.70000114.6K228K228-T230 VanDerWaalsContact C-N 3.26Å; K228-T230 HydrophobicContact CB-CG2 3.93Å; K228-T230 PolarHBondContact O-N 2.86Å
231A93.8Very high95.1Very high35 Ų3540.8 Ų40.829%0.28924%0.239SC..SBendtrans-149.2161.4-168.800000112.8Q234 T252A231-Q234 HydrophobicContact CB-CG 4.47Å; A231-Q234 WeakPolarHBondContact O-CG 3.45Å; A231-Q234 PolarHBondContact O-OE1 3.44Å; A231-Q234 VanDerWaalsContact O-OE1 3.13Å; A231-T252 PolarHBondContact O-OG1 3.13Å
232P96.8Very high95Very high52 Ų5240.9 Ų40.934%0.33825%0.245SC..THydrogen-bonded Turntrans-67.5152.9165.331-37.2000111.5T252 T253 M273P232-T252 WeakPolarHBondContact CA-OG1 3.44Å; P232-T253 WeakPolarHBondContact CB-O 3.39Å; P232-M273 HydrophobicContact CB-CE 4.23Å; P232-M273 HydrophobicContact CG-CE 4.37Å
233G96.6Very high94.8Very high3 Ų343.6 Ų43.63%0.03126%0.26CS..THydrogen-bonded Turntrans879.3178.800000114.4T252 L269G233-T252 PolarHBondContact N-O 2.76Å; G233-T252 PolarHBondContact N-OG1 3.29Å; G233-L269 VanDerWaalsContact O-CB 3.22Å; G233-L269 WeakPolarHBondContact O-CB 3.35Å; G233-L269 PolarHBondContact O-N 3.37Å
234Q98.3Very high94.8Very high13 Ų1342.2 Ų42.26%0.06126%0.255CS..EExtended strand (participates in β ladder)trans-88.4138.8179-57.6-172-7500110.9K228 H229 A231 I251 T252 V265 D268K228-Q234 PolarHBondContact O-NE2 2.7Å; K228-Q234 VanDerWaalsContact O-NE2 3.12Å; K228-Q234 PolarHBondContact O-OE1 3.09Å; H229-Q234 VanDerWaalsContact C-OE1 3.23Å; H229-Q234 VanDerWaalsContact CA-OE1 3.25Å; A231-Q234 HydrophobicContact CB-CG 4.47Å; A231-Q234 WeakPolarHBondContact O-CG 3.45Å; A231-Q234 PolarHBondContact O-OE1 3.44Å; A231-Q234 VanDerWaalsContact O-OE1 3.13Å; Q234-I251 WeakPolarHBondContact O-CA 3.31Å; Q234-T252 HydrophobicContact CB-CG2 4.32Å; Q234-T252 PolarHBondContact N-OG1 3.39Å; Q234-T252 PolarHBondContact O-N 3.26Å; Q234-V265 HydrophobicContact CB-CG1 4.45Å; Q234-D268 WeakPolarHBondContact CG-OD1 3.39Å; Q234-D268 PolarHBondContact NE2-OD1 3.02Å
235L98.1Very high94.9Very high0 Ų040.2 Ų40.20%024%0.244CC..EExtended strand (participates in β ladder)trans-88.8131.6173.3-80.6173.2000110.6F159 L161 F173 F249 I251 V265 F266 G267F159-L235 HydrophobicContact CB-CD1 3.72Å; F159-L235 HydrophobicContact CD1-CD1 3.39Å; F159-L235 HydrophobicContact CD1-CD2 4.18Å; F159-L235 HydrophobicContact CD1-CG 3.58Å; F159-L235 HydrophobicContact CD2-CD1 4.26Å; F159-L235 HydrophobicContact CE1-CD1 3.97Å; F159-L235 HydrophobicContact CE1-CD2 3.88Å; F159-L235 HydrophobicContact CE1-CG 3.74Å; F159-L235 HydrophobicContact CG-CD1 3.54Å; F159-L235 HydrophobicContact CG-CG 4.24Å; F159-L235 HydrophobicContact CZ-CD2 4.25Å; L161-L235 HydrophobicContact CD2-CD1 3.78Å; F173-L235 HydrophobicContact CE1-CD1 3.96Å; F173-L235 HydrophobicContact CE2-CD2 4.42Å; F173-L235 HydrophobicContact CZ-CD1 3.95Å; F173-L235 HydrophobicContact CZ-CD2 4.06Å; L235-F249 HydrophobicContact CD2-CD2 3.63Å; L235-F249 HydrophobicContact CD2-CE2 3.95Å; L235-I251 HydrophobicContact CD2-CG1 3.75Å; L235-V265 WeakPolarHBondContact O-CA 3.15Å; L235-F266 HydrophobicContact CB-CD1 4.49Å; L235-F266 HydrophobicContact CB-CD2 4.27Å; L235-F266 HydrophobicContact CB-CE1 4.12Å; L235-F266 HydrophobicContact CB-CE2 3.87Å; L235-F266 HydrophobicContact CB-CZ 3.79Å; L235-F266 HydrophobicContact CD1-CE2 3.89Å; L235-F266 HydrophobicContact CD1-CZ 4.33Å; L235-F266 HydrophobicContact CD2-CZ 4.36Å; L235-F266 HydrophobicContact CG-CE2 4.39Å; L235-F266 HydrophobicContact CG-CZ 4.41Å; L235-F266 PolarHBondContact O-N 3.2Å; L235-G267 PolarHBondContact N-O 2.88Å
236S98.1Very high94.9Very high0 Ų037.7 Ų37.70%024%0.236CC..EExtended strand (participates in β ladder)trans-146.3148.8179.2-174.40000112.1H229 F249 F250 H263 V264H229-S236 VanDerWaalsContact NE2-CB 3.32Å; H229-S236 WeakPolarHBondContact NE2-CB 3.32Å; H229-S236 PolarHBondContact NE2-OG 3.46Å; S236-F249 CarbonylContact O-C 3.59Å; S236-F249 VanDerWaalsContact O-CA 3.28Å; S236-F249 WeakPolarHBondContact O-CA 3.46Å; S236-F250 PolarHBondContact N-O 3.3Å; S236-F250 WeakPolarHBondContact O-CD1 3.4Å; S236-F250 PolarHBondContact O-N 3.12Å; S236-F250 VanDerWaalsContact OG-CZ 3.27Å; S236-F250 WeakPolarHBondContact OG-CZ 3.34Å; S236-H263 WeakPolarHBondContact OG-CB 3.39Å; S236-V264 CarbonylContact C-O 3.44Å; S236-V264 VanDerWaalsContact CA-O 3.29Å; S236-V264 WeakPolarHBondContact CA-O 3.48Å; S236-V264 PolarHBondContact OG-O 2.93Å
237M97.7Very high95Very high0 Ų033.1 Ų33.10%021%0.208CC..EExtended strand (participates in β ladder)trans-76.3131.4-176.5-69-57.6-66.300111.2T169 F220 N245 G246 F250 H263 V264 F266T169-M237 HydrophobicContact CG2-CG 3.61Å; T169-M237 HydrophobicContact CG2-SD 3.94Å; F220-M237 HydrophobicContact CE1-CE 4.07Å; F220-M237 HydrophobicContact CZ-CE 4.04Å; M237-N245 WeakPolarHBondContact CB-OD1 3.4Å; M237-N245 HydrophobicContact CE-CB 4.05Å; M237-G246 WeakPolarHBondContact CE-O 3.48Å; M237-F250 WeakPolarHBondContact O-CE1 3.18Å; M237-H263 PolarHBondContact O-ND1 3.09Å; M237-V264 HydrophobicContact CG-CB 4.39Å; M237-V264 PolarHBondContact N-O 2.82Å; M237-F266 HydrophobicContact CG-CD1 3.81Å; M237-F266 HydrophobicContact CG-CE1 3.76Å; M237-F266 HydrophobicContact SD-CD1 3.99Å; M237-F266 HydrophobicContact SD-CE1 3.43Å; M237-F266 WeakPolarHBondContact SD-CE1 3.49Å; M237-F266 HydrophobicContact SD-CZ 4.01Å
238A96.2Very high95.2Very high11 Ų1132.8 Ų32.89%0.09121%0.206CC..  trans-84.2132.9167.400000109Q200 Q248 F250Q200-A238 HydrophobicContact CG-CB 4.37Å; A238-Q248 HydrophobicContact CB-CB 3.75Å; A238-Q248 PolarHBondContact N-O 3.46Å; A238-F250 HydrophobicContact CB-CD1 4.26Å
239N93.1Very high95.2Very high38 Ų3828.8 Ų28.820%0.20319%0.188CC..  trans-138.6172.2-179.167.833.6000111.1G241 K262 H263N239-G241 PolarHBondContact OD1-N 3.18Å; N239-K262 PolarHBondContact ND2-O 3.45Å; N239-H263 PolarHBondContact OD1-CE1 3.07Å; N239-H263 VanDerWaalsContact OD1-CE1 3.29Å
240S89.4Confident95.3Very high88 Ų8829.1 Ų29.162%0.61519%0.19SC*.SBendtrans-114.127.8-179.955.30000111.8K219 T244K219-S240 PolarHBondContact NZ-OG 3.49Å; S240-T244 WeakPolarHBondContact CA-OG1 3.23Å; S240-T244 PolarHBondContact N-OG1 2.92Å; S240-T244 WeakPolarHBondContact OG-CB 3.3Å; S240-T244 PolarHBondContact OG-OG1 2.9Å
241G89.8Confident95.5Very high27 Ų2724.8 Ų24.828%0.27816%0.164SC..SBendtrans122175.2-168.500000112.5N239 T244N239-G241 PolarHBondContact OD1-N 3.18Å; G241-T244 PolarHBondContact N-OG1 3.44Å; G241-T244 PolarHBondContact O-N 3.31Å; G241-T244 PolarHBondContact O-OG1 2.94Å
242P91.5Very high95.7Very high109 Ų10923.1 Ų23.171%0.70815%0.15SC*.THydrogen-bonded Turntrans-55.5139.8-177.5-24.434000112.3D222 T244D222-P242 WeakPolarHBondContact OD2-CA 3.34Å; P242-T244 VanDerWaalsContact C-N 3.31Å; P242-T244 WeakPolarHBondContact O-CG2 3.47Å; P242-T244 PolarHBondContact O-N 2.86Å
243N91.1Very high95.7Very high79 Ų7920.7 Ų20.742%0.42213%0.134SC..THydrogen-bonded Turntrans5838.3176.1-59.8-26.7000114.1F220 D221 D222F220-N243 CarbonylContact O-C 3.56Å; D221-N243 HydrophobicContact CB-CB 4.27Å; D221-N243 WeakPolarHBondContact OD1-CB 3.25Å; D222-N243 PolarHBondContact N-OD1 3.19Å; D222-N243 PolarHBondContact OD2-N 2.88Å
244T93.3Very high95.6Very high26 Ų2624.2 Ų24.216%0.1615%0.152CC..  trans-123.730.1179.466.20000114.3K219 S240 G241 P242K219-T244 HydrophobicContact CD-CG2 3.91Å; S240-T244 WeakPolarHBondContact CA-OG1 3.23Å; S240-T244 PolarHBondContact N-OG1 2.92Å; S240-T244 WeakPolarHBondContact OG-CB 3.3Å; S240-T244 PolarHBondContact OG-OG1 2.9Å; G241-T244 PolarHBondContact N-OG1 3.44Å; G241-T244 PolarHBondContact O-N 3.31Å; G241-T244 PolarHBondContact O-OG1 2.94Å; P242-T244 VanDerWaalsContact C-N 3.31Å; P242-T244 WeakPolarHBondContact O-CG2 3.47Å; P242-T244 PolarHBondContact O-N 2.86Å
245N95Very high95.5Very high0 Ų028.3 Ų28.30%017%0.17CC..BIsolated β-bridgetrans-67.8139.4178.4-61.2-51.5000110.6K219 F220 D221 D222 M237K219-N245 CarbonylContact C-O 3.57Å; K219-N245 WeakPolarHBondContact CA-O 3.49Å; F220-N245 HydrophobicContact CD1-CB 3.73Å; F220-N245 WeakPolarHBondContact CD1-O 3.23Å; F220-N245 HydrophobicContact CD2-CB 4.09Å; F220-N245 HydrophobicContact CE1-CB 3.39Å; F220-N245 HydrophobicContact CE2-CB 3.78Å; F220-N245 HydrophobicContact CG-CB 4.08Å; F220-N245 HydrophobicContact CZ-CB 3.42Å; F220-N245 VanDerWaalsContact CZ-CB 3.42Å; F220-N245 PolarHBondContact N-O 3.12Å; F220-N245 WeakPolarHBondContact O-CB 3.44Å; F220-N245 PolarHBondContact O-N 2.8Å; D221-N245 PolarHBondContact O-ND2 3.03Å; D222-N245 WeakPolarHBondContact CA-ND2 3.26Å; D222-N245 PolarHBondContact N-ND2 3.05Å; D222-N245 PolarHBondContact OD1-ND2 3.41Å; D222-N245 PolarHBondContact OD1-OD1 3.4Å; M237-N245 WeakPolarHBondContact CB-OD1 3.4Å; M237-N245 HydrophobicContact CE-CB 4.05Å
246G95.8Very high95.3Very high9 Ų928.3 Ų28.39%0.09317%0.17CC..  trans-133.8-112-18000000110.9N172 F220 M237N172-G246 PolarHBondContact ND2-O 2.82Å; F220-G246 WeakPolarHBondContact CE1-O 3.48Å; M237-G246 WeakPolarHBondContact CE-O 3.48Å
247S97.1Very high95.1Very high1 Ų131.7 Ų31.71%0.00719%0.188CC..SBendtrans-117.2-8.4170.860.30000113.6Y185 G202 F204 G212 K213Y185-S247 WeakPolarHBondContact CE1-O 3.19Å; Y185-S247 PolarHBondContact OH-O 3.27Å; G202-S247 WeakPolarHBondContact CA-O 3.46Å; G202-S247 CarbonylContact O-C 3.58Å; G202-S247 WeakPolarHBondContact O-CB 3.15Å; G202-S247 PolarHBondContact O-OG 3.4Å; F204-S247 VanDerWaalsContact CE1-CB 3.4Å; F204-S247 VanDerWaalsContact CE1-OG 3.25Å; F204-S247 WeakPolarHBondContact CE1-OG 3.14Å; G212-S247 WeakPolarHBondContact CA-OG 3.44Å; K213-S247 PolarHBondContact N-OG 3.15Å; K213-S247 WeakPolarHBondContact O-CB 3.47Å
248Q98Very high95Very high23 Ų2338 Ų3811%0.10721%0.212CC..  trans-74.7137.7179.4-65.7-170.148.800110.2H191 G201 D203 G209 G211 A238H191-Q248 PolarHBondContact CE1-OE1 2.83Å; G201-Q248 VanDerWaalsContact O-CA 3.29Å; G201-Q248 WeakPolarHBondContact O-CA 3.42Å; D203-Q248 HydrophobicContact CB-CG 4.13Å; G209-Q248 PolarHBondContact O-NE2 2.97Å; G209-Q248 PolarHBondContact O-OE1 2.82Å; G211-Q248 PolarHBondContact O-NE2 3.02Å; A238-Q248 HydrophobicContact CB-CB 3.75Å; A238-Q248 PolarHBondContact N-O 3.46Å
249F98.4Very high94.9Very high0 Ų038.4 Ų38.40%021%0.212CC..EExtended strand (participates in β ladder)trans-141.7165.2-179.670-86.3000109.1M145 F173 Y185 F190 Q200 G201 L235 S236 I251 F266 I295M145-F249 HydrophobicContact CE-CE1 4.07Å; M145-F249 HydrophobicContact CE-CE2 4.38Å; M145-F249 HydrophobicContact CE-CZ 3.64Å; M145-F249 HydrophobicContact SD-CE2 4.39Å; M145-F249 HydrophobicContact SD-CZ 3.8Å; F173-F249 HydrophobicContact CD2-CD1 4.41Å; F173-F249 HydrophobicContact CD2-CG 4.49Å; F173-F249 HydrophobicContact CE2-CB 4.18Å; F173-F249 AromaticContact CE2-CD1 3.62Å; F173-F249 HydrophobicContact CE2-CD1 3.62Å; F173-F249 AromaticContact CE2-CD2 3.92Å; F173-F249 HydrophobicContact CE2-CD2 3.92Å; F173-F249 AromaticContact CE2-CE1 3.87Å; F173-F249 HydrophobicContact CE2-CE1 3.87Å; F173-F249 HydrophobicContact CE2-CE2 4.16Å; F173-F249 AromaticContact CE2-CG 3.64Å; F173-F249 HydrophobicContact CE2-CG 3.64Å; F173-F249 HydrophobicContact CE2-CZ 4.15Å; F173-F249 HydrophobicContact CZ-CD2 4.37Å; F173-F249 HydrophobicContact CZ-CE1 4.43Å; F173-F249 HydrophobicContact CZ-CE2 4.27Å; F173-F249 HydrophobicContact CZ-CZ 4.31Å; Y185-F249 HydrophobicContact CD1-CE1 4.16Å; Y185-F249 HydrophobicContact CD2-CE1 4.49Å; Y185-F249 HydrophobicContact CE1-CD1 4.04Å; Y185-F249 AromaticContact CE1-CE1 3.91Å; Y185-F249 HydrophobicContact CE1-CE1 3.91Å; Y185-F249 HydrophobicContact CE2-CD1 4.48Å; Y185-F249 HydrophobicContact CE2-CE1 4.23Å; Y185-F249 HydrophobicContact CG-CE1 4.45Å; Y185-F249 AromaticContact CZ-CD1 3.89Å; Y185-F249 AromaticContact CZ-CE1 3.93Å; F190-F249 AromaticContact CE1-CE2 3.94Å; F190-F249 HydrophobicContact CE1-CE2 3.94Å; F190-F249 HydrophobicContact CE1-CZ 4.07Å; F190-F249 HydrophobicContact CZ-CE2 4.1Å; F190-F249 AromaticContact CZ-CZ 3.94Å; F190-F249 HydrophobicContact CZ-CZ 3.94Å; Q200-F249 CarbonylContact C-O 3.53Å; Q200-F249 WeakPolarHBondContact CA-O 3.49Å; G201-F249 PolarHBondContact N-O 2.98Å; G201-F249 PolarHBondContact O-N 3.4Å; G201-F249 VanDerWaalsContact O-N 3.11Å; L235-F249 HydrophobicContact CD2-CD2 3.63Å; L235-F249 HydrophobicContact CD2-CE2 3.95Å; S236-F249 CarbonylContact O-C 3.59Å; S236-F249 VanDerWaalsContact O-CA 3.28Å; S236-F249 WeakPolarHBondContact O-CA 3.46Å; F249-I251 HydrophobicContact CD2-CG1 4.38Å; F249-I251 HydrophobicContact CE2-CD1 4.27Å; F249-I251 HydrophobicContact CE2-CG1 4.08Å; F249-F266 HydrophobicContact CB-CE1 4.44Å; F249-F266 HydrophobicContact CB-CZ 4.25Å; F249-I295 HydrophobicContact CZ-CD1 4.26Å
250F98.4Very high94.9Very high7 Ų738.9 Ų38.93%0.03122%0.215CC..EExtended strand (participates in β ladder)trans-134.6154.1169.162.8-89.5000111.5M198 C199 Q200 H229 S236 M237 A238 T252 L259 H263M198-F250 HydrophobicContact CB-CB 4.14Å; M198-F250 HydrophobicContact CB-CD2 3.76Å; M198-F250 HydrophobicContact CB-CG 4.29Å; M198-F250 HydrophobicContact CG-CB 4.23Å; M198-F250 HydrophobicContact CG-CD2 4.06Å; M198-F250 HydrophobicContact CG-CG 4.3Å; M198-F250 HydrophobicContact SD-CB 3.92Å; M198-F250 HydrophobicContact SD-CG 4.47Å; C199-F250 CarbonylContact O-C 3.55Å; C199-F250 WeakPolarHBondContact O-CA 3.4Å; Q200-F250 HydrophobicContact CB-CB 4.03Å; H229-F250 AromaticContact NE2-CE2 3.91Å; H229-F250 AromaticContact NE2-CZ 3.58Å; S236-F250 PolarHBondContact N-O 3.3Å; S236-F250 WeakPolarHBondContact O-CD1 3.4Å; S236-F250 PolarHBondContact O-N 3.12Å; S236-F250 VanDerWaalsContact OG-CZ 3.27Å; S236-F250 WeakPolarHBondContact OG-CZ 3.34Å; M237-F250 WeakPolarHBondContact O-CE1 3.18Å; A238-F250 HydrophobicContact CB-CD1 4.26Å; F250-T252 HydrophobicContact CD2-CG2 4.25Å; F250-T252 HydrophobicContact CE2-CG2 3.96Å; F250-L259 HydrophobicContact CE2-CD1 3.89Å; F250-L259 HydrophobicContact CZ-CD1 3.66Å; F250-H263 HydrophobicContact CE1-CB 4.18Å; F250-H263 AromaticContact CE1-ND1 3.92Å; F250-H263 HydrophobicContact CZ-CB 4.13Å
251I98.4Very high95.1Very high0 Ų036.5 Ų36.50%020%0.204CC..EExtended strand (participates in β ladder)trans-108.3122.9172.4-51159000107L157 F159 F190 M198 C199 Q234 L235 F249 L276L157-I251 HydrophobicContact CD1-CD1 3.94Å; F159-I251 HydrophobicContact CE1-CD1 4.21Å; F159-I251 HydrophobicContact CE1-CG1 4.2Å; F159-I251 HydrophobicContact CE1-CG2 4.38Å; F159-I251 HydrophobicContact CZ-CD1 3.67Å; F159-I251 HydrophobicContact CZ-CG1 4.11Å; F190-I251 HydrophobicContact CE1-CD1 3.86Å; F190-I251 HydrophobicContact CZ-CD1 4Å; M198-I251 CarbonylContact C-O 3.57Å; M198-I251 VanDerWaalsContact CA-O 3.25Å; M198-I251 WeakPolarHBondContact CA-O 3.43Å; M198-I251 WeakPolarHBondContact CB-O 3.49Å; C199-I251 PolarHBondContact N-O 3.36Å; C199-I251 PolarHBondContact O-N 2.92Å; Q234-I251 WeakPolarHBondContact O-CA 3.31Å; L235-I251 HydrophobicContact CD2-CG1 3.75Å; F249-I251 HydrophobicContact CD2-CG1 4.38Å; F249-I251 HydrophobicContact CE2-CD1 4.27Å; F249-I251 HydrophobicContact CE2-CG1 4.08Å; I251-L276 HydrophobicContact CB-CD1 3.93Å; I251-L276 HydrophobicContact CD1-CD1 4.19Å; I251-L276 HydrophobicContact CG2-CD1 3.63Å; I251-L276 HydrophobicContact CG2-CD2 3.58Å; I251-L276 HydrophobicContact CG2-CG 4.26Å
252T98.1Very high95.3Very high0 Ų041.4 Ų41.40%022%0.218CC..EExtended strand (participates in β ladder)trans-67.7142.6178.859.40000110.8A231 P232 G233 Q234 F250A231-T252 PolarHBondContact O-OG1 3.13Å; P232-T252 WeakPolarHBondContact CA-OG1 3.44Å; G233-T252 PolarHBondContact N-O 2.76Å; G233-T252 PolarHBondContact N-OG1 3.29Å; Q234-T252 HydrophobicContact CB-CG2 4.32Å; Q234-T252 PolarHBondContact N-OG1 3.39Å; Q234-T252 PolarHBondContact O-N 3.26Å; F250-T252 HydrophobicContact CD2-CG2 4.25Å; F250-T252 HydrophobicContact CE2-CG2 3.96Å
253T96.8Very high95.5Very high1 Ų137.6 Ų37.61%0.00619%0.19CC..SBendtrans-114.7-5172.368.40000113.2F197 P232 L276 R277 E280F197-T253 PolarHBondContact N-OG1 3.2Å; F197-T253 VanDerWaalsContact N-OG1 3.1Å; F197-T253 PolarHBondContact O-N 2.93Å; P232-T253 WeakPolarHBondContact CB-O 3.39Å; T253-L276 HydrophobicContact CG2-CD1 4.21Å; T253-L276 HydrophobicContact CG2-CG 4.31Å; T253-R277 PolarHBondContact O-NH1 2.75Å; T253-R277 PolarHBondContact O-NH2 3.01Å; T253-E280 VanDerWaalsContact CB-CD 3.42Å; T253-E280 WeakPolarHBondContact CB-OE1 3.47Å; T253-E280 HydrophobicContact CG2-CB 4.07Å; T253-E280 HydrophobicContact CG2-CG 4Å; T253-E280 PolarHBondContact OG1-OE1 3.44Å
254D95.9Very high95.8Very high77 Ų7733.9 Ų33.941%0.41217%0.17SC..SBendtrans-148.4178.7172.4-149.9-26000109.7T256D254-T256 PolarHBondContact O-N 3.28Å
255K95.4Very high96.1Very high99 Ų9932.7 Ų32.743%0.4316%0.163SC..  trans-67.8125.6169.8-172.3-170.3-173.4-141.80109.8H229 D257 W258H229-K255 WeakPolarHBondContact O-CG 3.43Å; K255-D257 WeakPolarHBondContact CE-OD2 3.35Å; K255-D257 IonicContact NZ-OD2 3.09Å; K255-D257 PolarHBondContact NZ-OD2 2.9Å; K255-W258 WeakPolarHBondContact O-CH2 3.29Å; K255-W258 WeakPolarHBondContact O-CZ3 3.27Å
256T93.8Very high96.2Very high0 Ų032.7 Ų32.70%016%0.163CC..  trans-128.653.5-176.964.70000111.9F197 H229 D254 W258 L259F197-T256 HydrophobicContact CD2-CG2 3.57Å; F197-T256 HydrophobicContact CE2-CG2 3.83Å; H229-T256 VanDerWaalsContact CB-O 3.28Å; H229-T256 WeakPolarHBondContact CB-O 3.47Å; H229-T256 VanDerWaalsContact CB-OG1 3.27Å; H229-T256 WeakPolarHBondContact CB-OG1 3.31Å; H229-T256 PolarHBondContact O-N 3.2Å; D254-T256 PolarHBondContact O-N 3.28Å; T256-W258 HydrophobicContact CG2-CH2 3.99Å; T256-W258 HydrophobicContact CG2-CZ2 3.86Å; T256-W258 PolarHBondContact O-N 3.42Å; T256-L259 WeakPolarHBondContact O-CB 3.25Å; T256-L259 PolarHBondContact O-N 3.15Å; T256-L259 VanDerWaalsContact O-N 3.1Å
257D94.9Very high96.3Very high70 Ų7032.3 Ų32.337%0.37416%0.159SC..G310 helixtrans-63.1-23-173.853.90.7000114.3K255 L259 D260K255-D257 WeakPolarHBondContact CE-OD2 3.35Å; K255-D257 IonicContact NZ-OD2 3.09Å; K255-D257 PolarHBondContact NZ-OD2 2.9Å; D257-L259 PolarHBondContact O-N 2.9Å; D257-L259 VanDerWaalsContact O-N 3.1Å; D257-D260 VanDerWaalsContact O-CB 3.23Å; D257-D260 WeakPolarHBondContact O-CB 3.05Å; D257-D260 VanDerWaalsContact O-CG 3.29Å; D257-D260 PolarHBondContact O-N 2.82Å
258W94Very high96.3Very high133 Ų13334.7 Ų34.750%0.50417%0.172SC..G310 helixtrans-64.8-10.8173.161.286000114.6F197 K255 T256F197-W258 HydrophobicContact CD2-CH2 4.49Å; F197-W258 AromaticContact CD2-CZ2 3.61Å; F197-W258 HydrophobicContact CD2-CZ2 3.61Å; F197-W258 AromaticContact CE2-CE2 3.88Å; F197-W258 AromaticContact CE2-CZ2 3.54Å; F197-W258 HydrophobicContact CE2-CZ2 3.54Å; F197-W258 AromaticContact CE2-NE1 3.66Å; K255-W258 WeakPolarHBondContact O-CH2 3.29Å; K255-W258 WeakPolarHBondContact O-CZ3 3.27Å; T256-W258 HydrophobicContact CG2-CH2 3.99Å; T256-W258 HydrophobicContact CG2-CZ2 3.86Å; T256-W258 PolarHBondContact O-N 3.42Å
259L94.8Very high96.3Very high19 Ų1934.7 Ų34.710%0.09917%0.172CC..G310 helixtrans-91.6-8173.6-58.9-175.7000113F197 F250 T256 D257 G261 K262 H263F197-L259 HydrophobicContact CE2-CD1 3.91Å; F197-L259 HydrophobicContact CZ-CD1 4.17Å; F250-L259 HydrophobicContact CE2-CD1 3.89Å; F250-L259 HydrophobicContact CZ-CD1 3.66Å; T256-L259 WeakPolarHBondContact O-CB 3.25Å; T256-L259 PolarHBondContact O-N 3.15Å; T256-L259 VanDerWaalsContact O-N 3.1Å; D257-L259 PolarHBondContact O-N 2.9Å; D257-L259 VanDerWaalsContact O-N 3.1Å; L259-G261 PolarHBondContact O-N 3.13Å; L259-K262 PolarHBondContact O-N 3.5Å; L259-K262 VanDerWaalsContact O-N 3.12Å; L259-H263 PolarHBondContact O-N 2.93Å
260D93.3Very high96.2Very high49 Ų4938 Ų3826%0.26219%0.193SC..THydrogen-bonded Turntrans-62.5136.4179.5-69.7-16.7000111.4K228 H229 D257 K262K228-D260 WeakPolarHBondContact CA-OD1 2.97Å; K228-D260 HydrophobicContact CD-CB 3.99Å; H229-D260 IonicContact CE1-OD1 3.45Å; H229-D260 IonicContact CG-OD1 3.34Å; H229-D260 PolarHBondContact N-OD1 2.91Å; H229-D260 IonicContact ND1-OD1 2.76Å; H229-D260 PolarHBondContact ND1-OD1 2.94Å; D257-D260 VanDerWaalsContact O-CB 3.23Å; D257-D260 WeakPolarHBondContact O-CB 3.05Å; D257-D260 VanDerWaalsContact O-CG 3.29Å; D257-D260 PolarHBondContact O-N 2.82Å; D260-K262 PolarHBondContact O-N 3.24Å
261G92.4Very high96.1Very high38 Ų3842.3 Ų42.339%0.39221%0.213SC..THydrogen-bonded Turntrans77.3-0-176.300000114.6F225 L259F225-G261 WeakPolarHBondContact CZ-O 3.47Å; L259-G261 PolarHBondContact O-N 3.13Å
262K94.6Very high96Very high129 Ų12942.9 Ų42.956%0.56122%0.219SC*.THydrogen-bonded Turntrans-117.6-31.5176.7-61.5175.2-174.7163.50112.8N239 L259 D260N239-K262 PolarHBondContact ND2-O 3.45Å; L259-K262 PolarHBondContact O-N 3.5Å; L259-K262 VanDerWaalsContact O-N 3.12Å; D260-K262 PolarHBondContact O-N 3.24Å
263H96.7Very high96Very high30 Ų3046.2 Ų46.214%0.13924%0.235CC..SBendtrans-124.7133.6-179.5-63-85000110.1S236 M237 N239 F250 L259 V265S236-H263 WeakPolarHBondContact OG-CB 3.39Å; M237-H263 PolarHBondContact O-ND1 3.09Å; N239-H263 PolarHBondContact OD1-CE1 3.07Å; N239-H263 VanDerWaalsContact OD1-CE1 3.29Å; F250-H263 HydrophobicContact CE1-CB 4.18Å; F250-H263 AromaticContact CE1-ND1 3.92Å; F250-H263 HydrophobicContact CZ-CB 4.13Å; L259-H263 PolarHBondContact O-N 2.93Å; H263-V265 PolarHBondContact O-N 2.99Å
264V97.6Very high96Very high0 Ų051.8 Ų51.80%027%0.265CS..  trans-78.1114.2179.3179.90000109.1V166 T169 D222 F225 S236 M237V166-V264 HydrophobicContact CB-CG1 4.42Å; V166-V264 HydrophobicContact CG1-CG1 3.85Å; T169-V264 HydrophobicContact CG2-CG1 4.23Å; D222-V264 HydrophobicContact CB-CG2 3.91Å; F225-V264 HydrophobicContact CD1-CG2 4.31Å; F225-V264 HydrophobicContact CE1-CG2 3.92Å; S236-V264 CarbonylContact C-O 3.44Å; S236-V264 VanDerWaalsContact CA-O 3.29Å; S236-V264 WeakPolarHBondContact CA-O 3.48Å; S236-V264 PolarHBondContact OG-O 2.93Å; M237-V264 HydrophobicContact CG-CB 4.39Å; M237-V264 PolarHBondContact N-O 2.82Å
265V98.3Very high96.1Very high2 Ų248.3 Ų48.31%0.01225%0.246CC..EExtended strand (participates in β ladder)trans-80.7132.9169.5179.20000108.6L227 H229 Q234 L235 H263L227-V265 HydrophobicContact CB-CB 3.64Å; L227-V265 HydrophobicContact CB-CG1 3.82Å; L227-V265 HydrophobicContact CD1-CG1 4.44Å; L227-V265 WeakPolarHBondContact CD1-O 3.2Å; H229-V265 WeakPolarHBondContact CE1-CG2 3.44Å; H229-V265 WeakPolarHBondContact NE2-CG2 3.27Å; Q234-V265 HydrophobicContact CB-CG1 4.45Å; L235-V265 WeakPolarHBondContact O-CA 3.15Å; H263-V265 PolarHBondContact O-N 2.99Å
266F97.9Very high96.2Very high0 Ų043.6 Ų43.60%023%0.226CC..EExtended strand (participates in β ladder)trans-140.33.4-170.867.5-92.8000115.7L161 R162 V166 T169 V170 F173 L235 M237 F249L161-F266 HydrophobicContact CD2-CD2 4.24Å; L161-F266 HydrophobicContact CD2-CE2 4.22Å; R162-F266 PolarHBondContact N-O 3.14Å; V166-F266 HydrophobicContact CG2-CB 3.48Å; V166-F266 VanDerWaalsContact CG2-CB 3.48Å; T169-F266 HydrophobicContact CG2-CB 3.7Å; T169-F266 HydrophobicContact CG2-CD1 3.75Å; T169-F266 HydrophobicContact CG2-CD2 4.4Å; T169-F266 HydrophobicContact CG2-CE1 4.48Å; T169-F266 HydrophobicContact CG2-CG 3.7Å; V170-F266 HydrophobicContact CG2-CB 4.33Å; F173-F266 HydrophobicContact CB-CD2 4.41Å; F173-F266 HydrophobicContact CB-CE2 3.75Å; F173-F266 HydrophobicContact CB-CZ 4.35Å; F173-F266 AromaticContact CD1-CE2 3.92Å; F173-F266 HydrophobicContact CD1-CE2 3.92Å; F173-F266 AromaticContact CD2-CE2 3.5Å; F173-F266 HydrophobicContact CD2-CE2 3.5Å; F173-F266 AromaticContact CD2-CZ 3.44Å; F173-F266 HydrophobicContact CD2-CZ 3.44Å; F173-F266 VanDerWaalsContact CD2-CZ 3.44Å; F173-F266 HydrophobicContact CE1-CE2 4.34Å; F173-F266 AromaticContact CE2-CE2 3.99Å; F173-F266 HydrophobicContact CE2-CE2 3.99Å; F173-F266 AromaticContact CE2-CZ 3.75Å; F173-F266 HydrophobicContact CE2-CZ 3.75Å; F173-F266 HydrophobicContact CG-CD2 4.49Å; F173-F266 AromaticContact CG-CE2 3.45Å; F173-F266 HydrophobicContact CG-CE2 3.45Å; F173-F266 VanDerWaalsContact CG-CE2 3.45Å; F173-F266 AromaticContact CG-CZ 3.92Å; F173-F266 HydrophobicContact CG-CZ 3.92Å; F173-F266 HydrophobicContact CZ-CE2 4.36Å; F173-F266 HydrophobicContact CZ-CZ 4.44Å; L235-F266 HydrophobicContact CB-CD1 4.49Å; L235-F266 HydrophobicContact CB-CD2 4.27Å; L235-F266 HydrophobicContact CB-CE1 4.12Å; L235-F266 HydrophobicContact CB-CE2 3.87Å; L235-F266 HydrophobicContact CB-CZ 3.79Å; L235-F266 HydrophobicContact CD1-CE2 3.89Å; L235-F266 HydrophobicContact CD1-CZ 4.33Å; L235-F266 HydrophobicContact CD2-CZ 4.36Å; L235-F266 HydrophobicContact CG-CE2 4.39Å; L235-F266 HydrophobicContact CG-CZ 4.41Å; L235-F266 PolarHBondContact O-N 3.2Å; M237-F266 HydrophobicContact CG-CD1 3.81Å; M237-F266 HydrophobicContact CG-CE1 3.76Å; M237-F266 HydrophobicContact SD-CD1 3.99Å; M237-F266 HydrophobicContact SD-CE1 3.43Å; M237-F266 WeakPolarHBondContact SD-CE1 3.49Å; M237-F266 HydrophobicContact SD-CZ 4.01Å; F249-F266 HydrophobicContact CB-CE1 4.44Å; F249-F266 HydrophobicContact CB-CZ 4.25Å
267G97.4Very high96.4Very high0 Ų048.5 Ų48.50%024%0.244CC..EExtended strand (participates in β ladder)trans-175.9172176.900000113.4L160 L235L160-G267 CarbonylContact O-C 3.48Å; L160-G267 WeakPolarHBondContact O-CA 3.36Å; L235-G267 PolarHBondContact N-O 2.88Å
268D97.4Very high96.6Very high51 Ų5147 Ų4727%0.27324%0.242SC..EExtended strand (participates in β ladder)trans-133.7142.3-177.9-59.3-70.7000110.2F159 L160 Q234 V270F159-D268 CarbonylContact C-O 3.58Å; F159-D268 VanDerWaalsContact CA-O 3.32Å; F159-D268 WeakPolarHBondContact CA-O 3.29Å; L160-D268 PolarHBondContact N-O 2.96Å; L160-D268 PolarHBondContact O-N 2.79Å; Q234-D268 WeakPolarHBondContact CG-OD1 3.39Å; Q234-D268 PolarHBondContact NE2-OD1 3.02Å; D268-V270 PolarHBondContact O-N 3.48Å
269L97.4Very high96.7Very high24 Ų2440.7 Ų40.713%0.12622%0.218CC..EExtended strand (participates in β ladder)trans-71.8123.9172.9-169.678000109.3L157 R158 F159 G233 E271 M273 L276L157-L269 HydrophobicContact CB-CD1 3.79Å; L157-L269 HydrophobicContact CD2-CD1 3.84Å; L157-L269 HydrophobicContact CD2-CD2 4.19Å; L157-L269 HydrophobicContact CG-CD1 4.35Å; R158-L269 WeakPolarHBondContact O-CD1 3.27Å; F159-L269 HydrophobicContact CD1-CB 4Å; F159-L269 HydrophobicContact CD1-CD1 3.58Å; F159-L269 HydrophobicContact CD1-CG 4.41Å; F159-L269 HydrophobicContact CD2-CD1 4.39Å; F159-L269 HydrophobicContact CE1-CB 3.97Å; F159-L269 HydrophobicContact CE1-CD1 3.24Å; F159-L269 HydrophobicContact CE1-CG 4.2Å; F159-L269 HydrophobicContact CE2-CD1 4.1Å; F159-L269 HydrophobicContact CG-CD1 4.16Å; F159-L269 HydrophobicContact CZ-CD1 3.53Å; G233-L269 VanDerWaalsContact O-CB 3.22Å; G233-L269 WeakPolarHBondContact O-CB 3.35Å; G233-L269 PolarHBondContact O-N 3.37Å; L269-E271 VanDerWaalsContact CD1-O 3.27Å; L269-E271 WeakPolarHBondContact CD1-O 3.36Å; L269-E271 WeakPolarHBondContact CG-O 3.48Å; L269-M273 HydrophobicContact CD2-CB 4.43Å; L269-M273 HydrophobicContact CD2-CG 3.87Å; L269-M273 HydrophobicContact CD2-SD 3.53Å; L269-M273 VanDerWaalsContact CD2-SD 3.53Å; L269-L276 HydrophobicContact CD2-CB 4.26Å; L269-L276 HydrophobicContact CD2-CD2 4.17Å
270V96.8Very high96.9Very high70 Ų7040.7 Ų40.742%0.42422%0.217SC..EExtended strand (participates in β ladder)trans-97.8-37.6179-1720000111R158 L160 D268R158-V270 PolarHBondContact O-N 3.41Å; L160-V270 HydrophobicContact CB-CG2 3.56Å; D268-V270 PolarHBondContact O-N 3.48Å
271E96.2Very high97.1Very high97 Ų9741 Ų4145%0.45323%0.227SC..EExtended strand (participates in β ladder)trans-141.2151178.3-63.6178.1176.900110.8R158 L269R158-E271 HydrophobicContact CB-CB 4.01Å; R158-E271 IonicContact CZ-OE1 2.7Å; R158-E271 IonicContact CZ-OE2 3.78Å; R158-E271 PolarHBondContact N-O 3.06Å; R158-E271 IonicContact NE-OE2 3.44Å; R158-E271 IonicContact NH1-OE1 3.72Å; R158-E271 PolarHBondContact NH1-OE1 3.21Å; R158-E271 IonicContact NH1-OE2 2.92Å; R158-E271 PolarHBondContact NH1-OE2 2.82Å; R158-E271 VanDerWaalsContact NH1-OE2 3.09Å; R158-E271 IonicContact NH2-OE1 3.98Å; R158-E271 PolarHBondContact NH2-OE1 2.82Å; R158-E271 IonicContact NH2-OE2 2.77Å; R158-E271 PolarHBondContact O-N 3.31Å; L269-E271 VanDerWaalsContact CD1-O 3.27Å; L269-E271 WeakPolarHBondContact CD1-O 3.36Å; L269-E271 WeakPolarHBondContact CG-O 3.48Å
272G96.5Very high97.3Very high12 Ų1240.7 Ų40.712%0.12422%0.215CC..  trans95.624.4178.300000114.9R156 L157 D274 V275 L276R156-G272 WeakPolarHBondContact O-CA 3.41Å; L157-G272 WeakPolarHBondContact CD2-O 3.45Å; G272-D274 WeakPolarHBondContact CA-OD1 3.29Å; G272-D274 PolarHBondContact O-N 3.11Å; G272-V275 WeakPolarHBondContact O-CB 3.27Å; G272-V275 PolarHBondContact O-N 2.84Å; G272-L276 PolarHBondContact O-N 2.95Å
273M97.5Very high97.4Very high70 Ų7034.7 Ų34.735%0.34519%0.189SC..Hα-helixtrans-57-35.3175-85-61.2-6800112.4P232 L269 L276 R277P232-M273 HydrophobicContact CB-CE 4.23Å; P232-M273 HydrophobicContact CG-CE 4.37Å; L269-M273 HydrophobicContact CD2-CB 4.43Å; L269-M273 HydrophobicContact CD2-CG 3.87Å; L269-M273 HydrophobicContact CD2-SD 3.53Å; L269-M273 VanDerWaalsContact CD2-SD 3.53Å; M273-L276 PolarHBondContact O-N 2.74Å; M273-L276 HydrophobicContact SD-CD2 4.02Å; M273-R277 VanDerWaalsContact O-CG 3.3Å; M273-R277 WeakPolarHBondContact O-CG 3.2Å; M273-R277 PolarHBondContact O-N 2.96Å
274D97.4Very high97.4Very high117 Ų11735.1 Ų35.163%0.62619%0.194SC*.Hα-helixtrans-61.2-42.1172.760.4-51.4000112.2G272 R277 A278G272-D274 WeakPolarHBondContact CA-OD1 3.29Å; G272-D274 PolarHBondContact O-N 3.11Å; D274-R277 PolarHBondContact O-N 2.81Å; D274-A278 WeakPolarHBondContact O-CB 3.28Å; D274-A278 PolarHBondContact O-N 3.24Å
275V98Very high97.2Very high4 Ų444.2 Ų44.22%0.02423%0.234CC..Hα-helixtrans-64.6-43.1174.9-175.70000110.5I147 A154 L157 G272 R277 A278 M279I147-V275 HydrophobicContact CB-CG1 3.94Å; I147-V275 HydrophobicContact CG1-CG1 4Å; I147-V275 HydrophobicContact CG2-CG1 4.45Å; A154-V275 HydrophobicContact CB-CG1 4.24Å; L157-V275 HydrophobicContact CD2-CB 3.8Å; L157-V275 HydrophobicContact CD2-CG1 4.05Å; L157-V275 HydrophobicContact CG-CB 4.49Å; L157-V275 HydrophobicContact CG-CG1 4.25Å; G272-V275 WeakPolarHBondContact O-CB 3.27Å; G272-V275 PolarHBondContact O-N 2.84Å; V275-R277 VanDerWaalsContact C-N 3.35Å; V275-R277 PolarHBondContact O-N 3.1Å; V275-A278 WeakPolarHBondContact O-CB 3.39Å; V275-A278 PolarHBondContact O-N 3.14Å; V275-M279 HydrophobicContact CG1-SD 4.44Å; V275-M279 VanDerWaalsContact O-CG 3.32Å; V275-M279 WeakPolarHBondContact O-CG 3.46Å; V275-M279 PolarHBondContact O-N 2.89Å
276L97.9Very high97Very high0 Ų051.3 Ų51.30%027%0.272CS..Hα-helixtrans-61-42.6175.6178.662000111.6L157 C199 I251 T253 L269 G272 M273 A278 M279 E280L157-L276 HydrophobicContact CD2-CB 4.17Å; C199-L276 HydrophobicContact CB-CD1 4.47Å; I251-L276 HydrophobicContact CB-CD1 3.93Å; I251-L276 HydrophobicContact CD1-CD1 4.19Å; I251-L276 HydrophobicContact CG2-CD1 3.63Å; I251-L276 HydrophobicContact CG2-CD2 3.58Å; I251-L276 HydrophobicContact CG2-CG 4.26Å; T253-L276 HydrophobicContact CG2-CD1 4.21Å; T253-L276 HydrophobicContact CG2-CG 4.31Å; L269-L276 HydrophobicContact CD2-CB 4.26Å; L269-L276 HydrophobicContact CD2-CD2 4.17Å; G272-L276 PolarHBondContact O-N 2.95Å; M273-L276 PolarHBondContact O-N 2.74Å; M273-L276 HydrophobicContact SD-CD2 4.02Å; L276-A278 VanDerWaalsContact C-N 3.34Å; L276-A278 PolarHBondContact O-N 3Å; L276-M279 WeakPolarHBondContact O-CB 3.3Å; L276-M279 PolarHBondContact O-N 3.4Å; L276-E280 WeakPolarHBondContact O-CB 3.44Å; L276-E280 PolarHBondContact O-N 2.83Å
277R97.9Very high96.8Very high104 Ų10451.4 Ų51.439%0.39227%0.273SS..Hα-helixtrans-65-37174.6-67.5-61.1-177.4-165.4-3.6112.1T253 M273 D274 V275 M279 E280 A281T253-R277 PolarHBondContact O-NH1 2.75Å; T253-R277 PolarHBondContact O-NH2 3.01Å; M273-R277 VanDerWaalsContact O-CG 3.3Å; M273-R277 WeakPolarHBondContact O-CG 3.2Å; M273-R277 PolarHBondContact O-N 2.96Å; D274-R277 PolarHBondContact O-N 2.81Å; V275-R277 VanDerWaalsContact C-N 3.35Å; V275-R277 PolarHBondContact O-N 3.1Å; R277-M279 VanDerWaalsContact C-N 3.34Å; R277-E280 VanDerWaalsContact CD-OE2 3.23Å; R277-E280 WeakPolarHBondContact CD-OE2 3.12Å; R277-E280 IonicContact CZ-OE2 3.83Å; R277-E280 IonicContact NE-OE2 2.7Å; R277-E280 IonicContact NH1-OE1 3.59Å; R277-E280 IonicContact NH1-OE2 3.63Å; R277-E280 PolarHBondContact NH1-OE2 3.28Å; R277-E280 WeakPolarHBondContact O-CB 3.35Å; R277-E280 PolarHBondContact O-N 3.19Å; R277-A281 PolarHBondContact O-N 2.99Å
278A97.8Very high96.7Very high39 Ų3959.1 Ų59.132%0.32231%0.306SS..Hα-helixtrans-65.2-37.6174.400000112.3I149 D274 V275 L276I149-A278 HydrophobicContact CD1-CB 4.02Å; D274-A278 WeakPolarHBondContact O-CB 3.28Å; D274-A278 PolarHBondContact O-N 3.24Å; V275-A278 WeakPolarHBondContact O-CB 3.39Å; V275-A278 PolarHBondContact O-N 3.14Å; L276-A278 VanDerWaalsContact C-N 3.34Å; L276-A278 PolarHBondContact O-N 3Å
279M97.9Very high96.7Very high0 Ų058 Ų580%030%0.302CS..Hα-helixtrans-65.1-47.1172-67.1168.158.100111.3I147 I149 L157 F190 C199 V275 L276 R277 A281 Q282 V293I147-M279 HydrophobicContact CB-SD 4.39Å; I147-M279 HydrophobicContact CD1-SD 4.19Å; I147-M279 HydrophobicContact CG1-SD 3.84Å; I147-M279 HydrophobicContact CG2-CG 3.89Å; I147-M279 HydrophobicContact CG2-SD 3.84Å; I149-M279 HydrophobicContact CD1-CG 4.28Å; L157-M279 HydrophobicContact CD1-CE 4.5Å; L157-M279 HydrophobicContact CD1-SD 3.83Å; F190-M279 HydrophobicContact CD1-CE 3.73Å; F190-M279 HydrophobicContact CD2-CE 3.51Å; F190-M279 HydrophobicContact CE1-CE 3.66Å; F190-M279 HydrophobicContact CE2-CE 3.42Å; F190-M279 VanDerWaalsContact CE2-CE 3.42Å; F190-M279 HydrophobicContact CG-CE 3.66Å; F190-M279 HydrophobicContact CZ-CE 3.51Å; C199-M279 HydrophobicContact CB-CE 4.31Å; V275-M279 HydrophobicContact CG1-SD 4.44Å; V275-M279 VanDerWaalsContact O-CG 3.32Å; V275-M279 WeakPolarHBondContact O-CG 3.46Å; V275-M279 PolarHBondContact O-N 2.89Å; L276-M279 WeakPolarHBondContact O-CB 3.3Å; L276-M279 PolarHBondContact O-N 3.4Å; R277-M279 VanDerWaalsContact C-N 3.34Å; M279-A281 VanDerWaalsContact C-N 3.26Å; M279-A281 PolarHBondContact O-N 3.46Å; M279-Q282 VanDerWaalsContact O-CB 3.28Å; M279-Q282 WeakPolarHBondContact O-CB 3.36Å; M279-Q282 PolarHBondContact O-N 3.43Å; M279-V293 HydrophobicContact CB-CG1 4.46Å; M279-V293 HydrophobicContact CE-CG1 3.97Å; M279-V293 HydrophobicContact CG-CG1 3.83Å; M279-V293 HydrophobicContact SD-CG1 4.41Å
280E97.9Very high96.6Very high18 Ų1863.4 Ų63.48%0.08432%0.324CS..Hα-helixtrans-56.1-40177.7-176.1-178.5-155.400112.1P195 Q196 T253 L276 R277 Q282 G283P195-E280 HydrophobicContact CB-CG 4.23Å; Q196-E280 PolarHBondContact N-OE1 3.17Å; T253-E280 VanDerWaalsContact CB-CD 3.42Å; T253-E280 WeakPolarHBondContact CB-OE1 3.47Å; T253-E280 HydrophobicContact CG2-CB 4.07Å; T253-E280 HydrophobicContact CG2-CG 4Å; T253-E280 PolarHBondContact OG1-OE1 3.44Å; L276-E280 WeakPolarHBondContact O-CB 3.44Å; L276-E280 PolarHBondContact O-N 2.83Å; R277-E280 VanDerWaalsContact CD-OE2 3.23Å; R277-E280 WeakPolarHBondContact CD-OE2 3.12Å; R277-E280 IonicContact CZ-OE2 3.83Å; R277-E280 IonicContact NE-OE2 2.7Å; R277-E280 IonicContact NH1-OE1 3.59Å; R277-E280 IonicContact NH1-OE2 3.63Å; R277-E280 PolarHBondContact NH1-OE2 3.28Å; R277-E280 WeakPolarHBondContact O-CB 3.35Å; R277-E280 PolarHBondContact O-N 3.19Å; E280-Q282 PolarHBondContact O-N 3.18Å; E280-Q282 VanDerWaalsContact O-N 3.12Å; E280-G283 WeakPolarHBondContact O-CA 3.36Å; E280-G283 PolarHBondContact O-N 3.01Å
281A97.4Very high96.6Very high56 Ų5664.7 Ų64.746%0.46333%0.326SS..THydrogen-bonded Turntrans-61.1-21.6177.500000113.6R277 M279 G283 K290R277-A281 PolarHBondContact O-N 2.99Å; M279-A281 VanDerWaalsContact C-N 3.26Å; M279-A281 PolarHBondContact O-N 3.46Å; A281-G283 VanDerWaalsContact C-N 3.28Å; A281-K290 PolarHBondContact O-NZ 3.03Å
282Q97.8Very high96.7Very high32 Ų3266.4 Ų66.415%0.1533%0.331CS..THydrogen-bonded Turntrans-79.8-9.2173-51.2-49.7-45.900113.1I149 M279 E280 P289 K290 V293I149-Q282 HydrophobicContact CD1-CG 4.36Å; I149-Q282 HydrophobicContact CG2-CG 3.7Å; M279-Q282 VanDerWaalsContact O-CB 3.28Å; M279-Q282 WeakPolarHBondContact O-CB 3.36Å; M279-Q282 PolarHBondContact O-N 3.43Å; E280-Q282 PolarHBondContact O-N 3.18Å; E280-Q282 VanDerWaalsContact O-N 3.12Å; Q282-P289 CarbonylContact O-C 3.52Å; Q282-P289 WeakPolarHBondContact O-CA 3.44Å; Q282-K290 WeakPolarHBondContact O-CG 3.41Å; Q282-K290 PolarHBondContact O-N 2.9Å; Q282-V293 HydrophobicContact CB-CG2 4.13Å; Q282-V293 HydrophobicContact CG-CG2 4.1Å
283G96.6Very high96.7Very high2 Ų265.9 Ų65.92%0.02133%0.326CS..  trans-68.4159.9179.100000114.2I193 E280 A281 K290I193-G283 WeakPolarHBondContact O-CA 3.25Å; E280-G283 WeakPolarHBondContact O-CA 3.36Å; E280-G283 PolarHBondContact O-N 3.01Å; A281-G283 VanDerWaalsContact C-N 3.28Å; G283-K290 WeakPolarHBondContact O-CE 3.12Å
284T96.2Very high96.7Very high39 Ų3964.2 Ų64.224%0.23932%0.318CS..  trans-130.7166.7170.8620000109.3I193 D286 G287 K288 K290I193-T284 PolarHBondContact O-N 3.35Å; T284-D286 PolarHBondContact O-N 3.01Å; T284-G287 PolarHBondContact O-N 3Å; T284-G287 PolarHBondContact OG1-N 3.38Å; T284-K288 WeakPolarHBondContact CB-O 3.37Å; T284-K288 WeakPolarHBondContact CG2-O 3.43Å; T284-K288 PolarHBondContact OG1-N 3.16Å; T284-K288 VanDerWaalsContact OG1-N 3.12Å; T284-K288 PolarHBondContact OG1-O 2.97Å; T284-K290 HydrophobicContact CG2-CG 3.9Å
285K94.1Very high96.8Very high192 Ų19258.6 Ų58.684%0.83529%0.288SS*.THydrogen-bonded Turntrans-61.2-35.7177.9-70.8-172.7176.3-176.50112.4G287K285-G287 PolarHBondContact O-N 3.33Å
286D93.8Very high96.8Very high151 Ų15160 Ų6081%0.80730%0.298SS*.THydrogen-bonded Turntrans-80.2-1.9177.8-49.4-57.7000112.7T284 K288T284-D286 PolarHBondContact O-N 3.01Å; D286-K288 VanDerWaalsContact C-N 3.29Å; D286-K288 PolarHBondContact O-N 3.38Å
287G93.8Very high96.8Very high2 Ų262.5 Ų62.52%0.02131%0.312CS..SBendtrans83.6-12.1179.400000115R192 I193 T284 K285 P289R192-G287 CarbonylContact C-O 3.56Å; R192-G287 VanDerWaalsContact CA-O 3.23Å; R192-G287 WeakPolarHBondContact CA-O 3.31Å; I193-G287 PolarHBondContact N-O 3.18Å; I193-G287 CarbonylContact O-C 3.59Å; I193-G287 WeakPolarHBondContact O-CA 3.36Å; T284-G287 PolarHBondContact O-N 3Å; T284-G287 PolarHBondContact OG1-N 3.38Å; K285-G287 PolarHBondContact O-N 3.33Å; G287-P289 VanDerWaalsContact O-CD 3.31Å; G287-P289 WeakPolarHBondContact O-CD 3.45Å
288K94.9Very high96.8Very high162 Ų16258 Ų5870%0.70430%0.296SS*.  trans-69.8122.6178.2-173.8174.7179.4178.30110.8T284 D286T284-K288 WeakPolarHBondContact CB-O 3.37Å; T284-K288 WeakPolarHBondContact CG2-O 3.43Å; T284-K288 PolarHBondContact OG1-N 3.16Å; T284-K288 VanDerWaalsContact OG1-N 3.12Å; T284-K288 PolarHBondContact OG1-O 2.97Å; D286-K288 VanDerWaalsContact C-N 3.29Å; D286-K288 PolarHBondContact O-N 3.38Å
289P96.2Very high96.7Very high27 Ų2756.5 Ų56.518%0.17528%0.284CS..  trans-64.7140.4178.5-22.133.2000112.8F190 H191 I193 Q282 G287 Q291F190-P289 WeakPolarHBondContact O-CG 3.39Å; H191-P289 WeakPolarHBondContact O-CD 3.38Å; I193-P289 HydrophobicContact CB-CG 4.49Å; I193-P289 HydrophobicContact CD1-CB 4.22Å; I193-P289 HydrophobicContact CD1-CG 4.02Å; I193-P289 HydrophobicContact CG1-CG 4.1Å; Q282-P289 CarbonylContact O-C 3.52Å; Q282-P289 WeakPolarHBondContact O-CA 3.44Å; G287-P289 VanDerWaalsContact O-CD 3.31Å; G287-P289 WeakPolarHBondContact O-CD 3.45Å; P289-Q291 VanDerWaalsContact CB-O 3.24Å; P289-Q291 WeakPolarHBondContact CB-O 3.26Å
290K96.9Very high96.6Very high137 Ų13759.2 Ų59.260%0.59630%0.297SS*.SBendtrans-64.6-40173.9-64.9171.8-169.6158.10111.8A281 Q282 G283 T284A281-K290 PolarHBondContact O-NZ 3.03Å; Q282-K290 WeakPolarHBondContact O-CG 3.41Å; Q282-K290 PolarHBondContact O-N 2.9Å; G283-K290 WeakPolarHBondContact O-CE 3.12Å; T284-K290 HydrophobicContact CG2-CG 3.9Å
291Q96.9Very high96.1Very high98 Ų9862.4 Ų62.446%0.45831%0.308SS..SBendtrans-126.1152.3174.3-60.7-168-73.600109.3I149 P289 V293I149-Q291 HydrophobicContact CG2-CB 4.12Å; P289-Q291 VanDerWaalsContact CB-O 3.24Å; P289-Q291 WeakPolarHBondContact CB-O 3.26Å; Q291-V293 PolarHBondContact O-N 2.82Å
292K96.6Very high94.9Very high132 Ų13269.2 Ų69.257%0.57434%0.344SS*.  trans-66123.3178-166.1174.7174.7-177.20109.5G150 I294G150-K292 PolarHBondContact N-O 2.86Å; K292-I294 HydrophobicContact CD-CD1 3.68Å; K292-I294 HydrophobicContact CD-CG1 4Å; K292-I294 VanDerWaalsContact CE-CD1 3.5Å; K292-I294 HydrophobicContact CG-CD1 3.93Å; K292-I294 HydrophobicContact CG-CG1 3.71Å
293V97.9Very high94.8Very high1 Ų171.1 Ų71.11%0.00635%0.353CS..EExtended strand (participates in β ladder)trans-107.7118176.1-176.50000108.1I147 K148 I149 S189 F190 I193 M279 Q282 Q291I147-V293 HydrophobicContact CG2-CG1 3.78Å; K148-V293 CarbonylContact O-C 3.58Å; K148-V293 WeakPolarHBondContact O-CA 3.35Å; I149-V293 HydrophobicContact CG1-CG1 4.33Å; I149-V293 HydrophobicContact CG1-CG2 4.23Å; S189-V293 CarbonylContact C-O 3.3Å; S189-V293 WeakPolarHBondContact CA-O 3.31Å; S189-V293 WeakPolarHBondContact CB-O 3.48Å; F190-V293 HydrophobicContact CB-CB 4.16Å; F190-V293 HydrophobicContact CB-CG1 4.22Å; F190-V293 HydrophobicContact CD2-CG1 3.86Å; F190-V293 HydrophobicContact CG-CG1 4.34Å; F190-V293 PolarHBondContact N-O 2.89Å; I193-V293 HydrophobicContact CD1-CB 4.16Å; I193-V293 HydrophobicContact CD1-CG2 3.74Å; M279-V293 HydrophobicContact CB-CG1 4.46Å; M279-V293 HydrophobicContact CE-CG1 3.97Å; M279-V293 HydrophobicContact CG-CG1 3.83Å; M279-V293 HydrophobicContact SD-CG1 4.41Å; Q282-V293 HydrophobicContact CB-CG2 4.13Å; Q282-V293 HydrophobicContact CG-CG2 4.1Å; Q291-V293 PolarHBondContact O-N 2.82Å
294I97.9Very high94.7Very high35 Ų3574.7 Ų74.718%0.17937%0.371CS..EExtended strand (participates in β ladder)trans-123.8139.6-169.3-52.5179.1000110I147 K148 S188 K292 S296I147-I294 WeakPolarHBondContact CA-O 3.34Å; K148-I294 PolarHBondContact N-O 3.15Å; K148-I294 PolarHBondContact O-N 3.32Å; S188-I294 WeakPolarHBondContact O-CA 3.42Å; S188-I294 WeakPolarHBondContact O-CG2 3.35Å; K292-I294 HydrophobicContact CD-CD1 3.68Å; K292-I294 HydrophobicContact CD-CG1 4Å; K292-I294 VanDerWaalsContact CE-CD1 3.5Å; K292-I294 HydrophobicContact CG-CD1 3.93Å; K292-I294 HydrophobicContact CG-CG1 3.71Å; I294-S296 PolarHBondContact O-N 3.35Å
295I98.3Very high94.6Very high0 Ų076.7 Ų76.70%038%0.378CS..EExtended strand (participates in β ladder)trans-79.198.2165.1-58.4171.1000106.9M145 D146 I147 G187 S188 F190 F249 C298M145-I295 HydrophobicContact CB-CG2 4.26Å; M145-I295 HydrophobicContact CE-CD1 4.29Å; M145-I295 HydrophobicContact CG-CG2 4.32Å; M145-I295 HydrophobicContact SD-CD1 3.76Å; M145-I295 HydrophobicContact SD-CG1 4.3Å; D146-I295 CarbonylContact O-C 3.55Å; I147-I295 HydrophobicContact CD1-CG1 4.2Å; G187-I295 WeakPolarHBondContact CA-O 3.19Å; G187-I295 PolarHBondContact N-O 3.22Å; S188-I295 PolarHBondContact O-N 3.03Å; F190-I295 HydrophobicContact CD2-CG1 4.28Å; F190-I295 HydrophobicContact CE2-CD1 3.9Å; F190-I295 HydrophobicContact CE2-CG1 3.57Å; F190-I295 HydrophobicContact CZ-CD1 4.24Å; F190-I295 HydrophobicContact CZ-CG1 4.33Å; F249-I295 HydrophobicContact CZ-CD1 4.26Å; I295-C298 HydrophobicContact CG2-CB 3.91Å
296S97.4Very high94.6Very high34 Ų3469.9 Ų69.924%0.23835%0.351CS..EExtended strand (participates in β ladder)trans-77.1-33.8-17664.10000113.3D146 K148 I294D146-S296 PolarHBondContact O-N 3.25Å; D146-S296 PolarHBondContact O-OG 2.87Å; K148-S296 VanDerWaalsContact CE-CB 3.49Å; I294-S296 PolarHBondContact O-N 3.35Å
297D97.9Very high94.7Very high52 Ų5264.8 Ų64.828%0.27832%0.323SS..EExtended strand (participates in β ladder)trans-149.3157170.2-150.714.3000109.7D146 K186D146-D297 HydrophobicContact CB-CB 4.09Å; D146-D297 PolarHBondContact N-O 3.28Å; K186-D297 WeakPolarHBondContact CD-OD1 3.23Å; K186-D297 WeakPolarHBondContact CE-OD1 2.93Å; K186-D297 IonicContact NZ-OD1 3.71Å; K186-D297 PolarHBondContact NZ-OD1 3.14Å; K186-D297 IonicContact NZ-OD2 3.88Å
298C97.7Very high94.7Very high10 Ų1069 Ų697%0.06834%0.343CS..EExtended strand (participates in β ladder)trans-157.4158.217656.30000110.3Y144 M145 C177 K186 I295Y144-C298 VanDerWaalsContact O-CA 3.23Å; Y144-C298 WeakPolarHBondContact O-CA 3.13Å; Y144-C298 VanDerWaalsContact O-CB 3.25Å; Y144-C298 WeakPolarHBondContact O-CB 3.49Å; M145-C298 HydrophobicContact CG-CB 4.11Å; C177-C298 CarbonylContact O-C 3.6Å; C177-C298 VanDerWaalsContact O-C 3.3Å; C177-C298 VanDerWaalsContact O-O 3.11Å; C177-C298 PolarHBondContact O-SG 2.92Å; K186-C298 PolarHBondContact N-SG 2.59Å; K186-C298 VanDerWaalsContact N-SG 3.45Å; I295-C298 HydrophobicContact CG2-CB 3.91Å
299G97.3Very high94.7Very high6 Ų662.4 Ų62.46%0.06232%0.317CS..EExtended strand (participates in β ladder)trans179.7-170.1179.900000112.6V143 Y144V143-G299 CarbonylContact C-O 3.54Å; V143-G299 VanDerWaalsContact CA-O 3.27Å; V143-G299 WeakPolarHBondContact CA-O 3.31Å; V143-G299 VanDerWaalsContact CB-O 3.32Å; V143-G299 WeakPolarHBondContact CB-O 3.39Å; Y144-G299 WeakPolarHBondContact CD1-O 3.29Å; Y144-G299 PolarHBondContact N-O 3Å; Y144-G299 PolarHBondContact O-N 3.29Å
300E95.6Very high94.6Very high58 Ų5865.1 Ų65.127%0.27133%0.328SS..EExtended strand (participates in β ladder)trans-108147.7177.6-177.9171.2-168.100110.3V143 R174 T178V143-E300 HydrophobicContact CG1-CB 4.33Å; V143-E300 HydrophobicContact CG1-CG 4.48Å; R174-E300 WeakPolarHBondContact CD-OE1 3.48Å; R174-E300 VanDerWaalsContact CD-OE2 3.27Å; R174-E300 WeakPolarHBondContact CD-OE2 3.37Å; R174-E300 WeakPolarHBondContact CG-OE2 3.45Å; R174-E300 IonicContact CZ-OE2 3.53Å; R174-E300 IonicContact NE-OE2 2.7Å; R174-E300 IonicContact NH1-OE2 2.76Å; R174-E300 PolarHBondContact NH1-OE2 3.05Å; T178-E300 HydrophobicContact CG2-CB 3.62Å
301Y86.8Confident94.4Very high84 Ų8459.1 Ų59.133%0.32931%0.306SS..EExtended strand (participates in β ladder)trans-89.1117.2166.7-74.2-79.2000108.6Q142 Y144 R156 R158Q142-Y301 HydrophobicContact CB-CD2 4.19Å; Q142-Y301 PolarHBondContact O-N 2.88Å; Y144-Y301 HydrophobicContact CD1-CD2 4.1Å; Y144-Y301 AromaticContact CD1-CE2 3.81Å; Y144-Y301 HydrophobicContact CD1-CE2 3.81Å; Y144-Y301 HydrophobicContact CG-CE2 4.1Å; R156-Y301 VanDerWaalsContact CD-OH 3.23Å; R156-Y301 WeakPolarHBondContact CD-OH 3.44Å; R156-Y301 PolarHBondContact NH1-OH 3.42Å; R158-Y301 HydrophobicContact CB-CE2 4.34Å; R158-Y301 VanDerWaalsContact CD-CE2 3.5Å; R158-Y301 HydrophobicContact CG-CD2 4.13Å; R158-Y301 HydrophobicContact CG-CE2 3.64Å
302V72.7Confident94.2Very high199 Ų19955.5 Ų55.5100%1.20629%0.292SS*.  trans-1040175.1-172.10000109.4

Retrieved 302 of 302 residues in 911 ms (Link to these results)

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