LIN7B_MOUSE Loading...

Protein lin-7 homolog B

Plays a role in establishing and maintaining the asymmetric distribution of channels and receptors at the plasma membrane of polarized cells. Forms membrane-associated multiprotein complexes that may regulate delivery and recycling of proteins to the correct membrane domains. The tripartite complex composed of LIN7 (LIN7A, LIN7B or LIN7C), CASK and APBA1 associates with the motor protein KIF17 to transport vesicles containing N-methyl-D-aspartate (NMDA) receptor subunit NR2B along microtubules1. This complex may have the potential to couple synaptic vesicle exocytosis to cell adhesion in brain. Ensures the proper localization of GRIN2B (subunit 2B of the NMDA receptor) to neuronal postsynaptic density and may function in localizing synaptic vesicles at synapses where it is recruited by beta-catenin and cadherin. Required to localize Kir2 channels, GABA transporter (SLC6A12) and EGFR/ERBB1, ERBB2, ERBB3 and ERBB4 to the basolateral membrane of epithelial cells. May increase the amplitude of ASIC3 acid-evoked currents by stabilizing the channel at the cell surface.

AlphaFold DB , UniProt , Accession O88951, Species MOUSE (Mus musculus, Mouse), Gene Lin7b, Length 207 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
1M33.9Very low51.2Low238 Ų238114.7 Ų114.7100%1.17267%0.671SS**  0108.10-60.7-159.583.300106.9A3M1-A3 PolarHBondContact O-N 3.41Å; M1-A3 VanDerWaalsContact O-N 3.08Å
2A38.5Very low54.1Low98 Ų98117.6 Ų117.681%0.8166%0.662SS**  trans-63.7112.2169.900000105.7L4A2-L4 PolarHBondContact O-N 3.29Å
3A42.9Very low56.6Low91 Ų91112.7 Ų112.775%0.75263%0.633SS**  trans-54.6112171.700000105.7M1 V5M1-A3 PolarHBondContact O-N 3.41Å; M1-A3 VanDerWaalsContact O-N 3.08Å; A3-V5 VanDerWaalsContact C-N 3.34Å; A3-V5 PolarHBondContact O-N 3.38Å
4L37.3Very low58.8Low161 Ų161106.8 Ų106.884%0.84360%0.601SS**  trans-51.9105.5172.7-70.6158.4000105.2A2 E6A2-L4 PolarHBondContact O-N 3.29Å; L4-E6 PolarHBondContact O-N 2.75Å
5V39.2Very low60.8Low128 Ų128104.5 Ų104.578%0.77660%0.595SS**  trans-64.991.1166.7153.90000104A3A3-V5 VanDerWaalsContact C-N 3.34Å; A3-V5 PolarHBondContact O-N 3.38Å
6E46.3Very low62.7Low124 Ų124107.3 Ų107.358%0.57959%0.593SS**  trans-56.2138.8168.9-70.6-175.2173.100107.4L4 L8 R12L4-E6 PolarHBondContact O-N 2.75Å; E6-L8 PolarHBondContact O-N 3.5Å; E6-R12 IonicContact OE2-NH1 3.79Å; E6-R12 PolarHBondContact OE2-NH1 3.02Å
7P41.8Very low64.3Low118 Ų118103 Ų10377%0.76658%0.575SS**  trans-57.3115.9-176.718.3-27.2000109.6G9P7-G9 PolarHBondContact O-N 3.13Å
8L48.1Very low65.6Low109 Ų10997.9 Ų97.957%0.57155%0.546SS*.  trans-69.297.5-179.9-63.4167.1000108E6E6-L8 PolarHBondContact O-N 3.5Å
9G71.7Confident66.9Low30 Ų3098.3 Ų98.331%0.30954%0.544SS..  trans-72.8135.516400000109.1P7 E11 R12 D13P7-G9 PolarHBondContact O-N 3.13Å; G9-E11 PolarHBondContact O-N 3.13Å; G9-R12 PolarHBondContact O-N 2.94Å; G9-D13 PolarHBondContact O-N 2.67Å
10L79.6Confident68.1Low57 Ų5797.6 Ų97.630%0.29854%0.538SS..Hα-helixtrans-57.1-26.8-176.8-75.3167.7000112.2D13 V14 R51 Y54 E55L10-D13 PolarHBondContact O-N 3.25Å; L10-V14 WeakPolarHBondContact O-CG2 3.44Å; L10-V14 PolarHBondContact O-N 3.01Å; L10-R51 HydrophobicContact CB-CG 3.6Å; L10-R51 HydrophobicContact CD1-CG 4.11Å; L10-Y54 HydrophobicContact CD1-CD1 3.31Å; L10-Y54 HydrophobicContact CD1-CE1 3.72Å; L10-Y54 HydrophobicContact CD1-CG 4.13Å; L10-E55 HydrophobicContact CD1-CG 3.88Å; L10-E55 PolarHBondContact N-OE1 2.91Å
11E84.2Confident69Low108 Ų10893.7 Ų93.751%0.50552%0.517SS..Hα-helixtrans-59-44.3173.1178.3152-114.200114.1G9 D13 V14 S15 R51G9-E11 PolarHBondContact O-N 3.13Å; E11-D13 VanDerWaalsContact C-N 3.32Å; E11-V14 PolarHBondContact O-N 3.05Å; E11-S15 PolarHBondContact O-N 2.91Å; E11-S15 PolarHBondContact O-OG 2.91Å; E11-R51 VanDerWaalsContact CD-NH2 3.35Å; E11-R51 VanDerWaalsContact CG-NH1 3.28Å; E11-R51 IonicContact OE1-CZ 3.27Å; E11-R51 IonicContact OE1-NH1 3.78Å; E11-R51 PolarHBondContact OE1-NH1 2.99Å; E11-R51 IonicContact OE1-NH2 2.64Å; E11-R51 PolarHBondContact OE1-NH2 3.1Å; E11-R51 IonicContact OE2-NH2 3.19Å
12R85.3Confident71.5Confident149 Ų14985.9 Ų85.956%0.56248%0.477SS*.Hα-helixtrans-69.8-36.6178.1-66.2-177.9175.2-167-1.7110.4E6 G9 S15 R16E6-R12 IonicContact OE2-NH1 3.79Å; E6-R12 PolarHBondContact OE2-NH1 3.02Å; G9-R12 PolarHBondContact O-N 2.94Å; R12-S15 PolarHBondContact O-N 3.37Å; R12-R16 VanDerWaalsContact O-CB 3.31Å; R12-R16 WeakPolarHBondContact O-CB 3.37Å; R12-R16 PolarHBondContact O-N 2.92Å
13D87.5Confident73.9Confident54 Ų5488.3 Ų88.329%0.28947%0.466SS..Hα-helixtrans-65.4-41.2176.8-70.1-19000111.9G9 L10 E11 R16 A17G9-D13 PolarHBondContact O-N 2.67Å; L10-D13 PolarHBondContact O-N 3.25Å; E11-D13 VanDerWaalsContact C-N 3.32Å; D13-R16 PolarHBondContact O-N 3.44Å; D13-A17 VanDerWaalsContact O-CB 3.31Å; D13-A17 WeakPolarHBondContact O-CB 3.24Å; D13-A17 PolarHBondContact O-N 3.25Å
14V87.3Confident76Confident30 Ų3086.5 Ų86.518%0.18244%0.443CS..Hα-helixtrans-62.4-45.7173170.20000110.8L10 E11 R16 A17 V18 L42L10-V14 WeakPolarHBondContact O-CG2 3.44Å; L10-V14 PolarHBondContact O-N 3.01Å; E11-V14 PolarHBondContact O-N 3.05Å; V14-R16 VanDerWaalsContact C-N 3.33Å; V14-R16 PolarHBondContact O-N 3.4Å; V14-A17 PolarHBondContact O-N 3.21Å; V14-V18 WeakPolarHBondContact O-CG2 3.4Å; V14-V18 PolarHBondContact O-N 3.46Å; V14-L42 HydrophobicContact CG1-CB 4.22Å; V14-L42 WeakPolarHBondContact CG1-O 3.43Å
15S88.5Confident78.2Confident73 Ų7382.7 Ų82.751%0.5142%0.421SS..Hα-helixtrans-61-43.7178.5-57.80000111.6E11 R12 V18 E19E11-S15 PolarHBondContact O-N 2.91Å; E11-S15 PolarHBondContact O-OG 2.91Å; R12-S15 PolarHBondContact O-N 3.37Å; S15-V18 PolarHBondContact O-N 3.06Å; S15-E19 PolarHBondContact O-N 3.48Å; S15-E19 VanDerWaalsContact O-N 3.1Å
16R90.7Very high80.4Confident149 Ų14985.7 Ų85.756%0.56242%0.418SS*.Hα-helixtrans-64.6-41.8175.6-174.9-178.3-64.2-155.40.6111.9R12 D13 V14 V18 E19 L20R12-R16 VanDerWaalsContact O-CB 3.31Å; R12-R16 WeakPolarHBondContact O-CB 3.37Å; R12-R16 PolarHBondContact O-N 2.92Å; D13-R16 PolarHBondContact O-N 3.44Å; V14-R16 VanDerWaalsContact C-N 3.33Å; V14-R16 PolarHBondContact O-N 3.4Å; R16-V18 VanDerWaalsContact C-N 3.32Å; R16-V18 PolarHBondContact O-N 3.02Å; R16-E19 PolarHBondContact O-N 2.96Å; R16-L20 HydrophobicContact CG-CD1 4.28Å; R16-L20 WeakPolarHBondContact O-CG 3.41Å; R16-L20 PolarHBondContact O-N 3.06Å
17A90.5Very high82.4Confident34 Ų3482.9 Ų82.928%0.28141%0.412SS..Hα-helixtrans-60.7-42.9176.800000111.1D13 V14 E19 L20 L21 L42D13-A17 VanDerWaalsContact O-CB 3.31Å; D13-A17 WeakPolarHBondContact O-CB 3.24Å; D13-A17 PolarHBondContact O-N 3.25Å; V14-A17 PolarHBondContact O-N 3.21Å; A17-E19 PolarHBondContact O-N 3.32Å; A17-L20 PolarHBondContact O-N 3.32Å; A17-L21 WeakPolarHBondContact O-CG 3.47Å; A17-L21 PolarHBondContact O-N 3.45Å; A17-L42 HydrophobicContact CB-CD1 3.98Å
18V88.3Confident84.4Confident11 Ų1180.1 Ų80.17%0.06741%0.406CS..Hα-helixtrans-59.9-46.1174.9171.50000111.5V14 S15 R16 L20 L21 E22 Q39 L42 Q43V14-V18 WeakPolarHBondContact O-CG2 3.4Å; V14-V18 PolarHBondContact O-N 3.46Å; S15-V18 PolarHBondContact O-N 3.06Å; R16-V18 VanDerWaalsContact C-N 3.32Å; R16-V18 PolarHBondContact O-N 3.02Å; V18-L20 PolarHBondContact O-N 3.46Å; V18-L21 WeakPolarHBondContact O-CB 3.26Å; V18-L21 PolarHBondContact O-N 3.49Å; V18-E22 PolarHBondContact O-N 3.49Å; V18-Q39 HydrophobicContact CG1-CG 4.48Å; V18-L42 HydrophobicContact CG2-CB 4.06Å; V18-L42 HydrophobicContact CG2-CD1 4.22Å; V18-Q43 HydrophobicContact CG2-CG 3.98Å
19E90Very high86.1Confident106 Ų10681.4 Ų81.450%0.49541%0.409SS..Hα-helixtrans-60.5-44.1177.2-170.4-164.3153.500112S15 R16 A17 L21 E22 R23S15-E19 PolarHBondContact O-N 3.48Å; S15-E19 VanDerWaalsContact O-N 3.1Å; R16-E19 PolarHBondContact O-N 2.96Å; A17-E19 PolarHBondContact O-N 3.32Å; E19-L21 VanDerWaalsContact C-N 3.31Å; E19-L21 PolarHBondContact O-N 3.1Å; E19-E22 WeakPolarHBondContact O-CB 3.47Å; E19-E22 PolarHBondContact O-N 2.99Å; E19-R23 WeakPolarHBondContact O-CG 3.49Å; E19-R23 PolarHBondContact O-N 3.23Å
20L89.7Confident86.4Confident83 Ų8383.4 Ų83.444%0.43541%0.412SS..Hα-helixtrans-63.1-38.1177.1-70.4173.9000111.7R16 A17 V18 E22 R23 L24R16-L20 HydrophobicContact CG-CD1 4.28Å; R16-L20 WeakPolarHBondContact O-CG 3.41Å; R16-L20 PolarHBondContact O-N 3.06Å; A17-L20 PolarHBondContact O-N 3.32Å; V18-L20 PolarHBondContact O-N 3.46Å; L20-E22 VanDerWaalsContact C-N 3.35Å; L20-R23 PolarHBondContact O-N 3.13Å; L20-L24 WeakPolarHBondContact O-CG 3.36Å; L20-L24 PolarHBondContact O-N 3.45Å
21L88Confident86.7Confident17 Ų1784.1 Ų84.19%0.08942%0.42CS..Hα-helixtrans-65-37.8175.2-68.5169.5000112.2A17 V18 E19 R23 L24 Q25 L35 L38 Q39 L42A17-L21 WeakPolarHBondContact O-CG 3.47Å; A17-L21 PolarHBondContact O-N 3.45Å; V18-L21 WeakPolarHBondContact O-CB 3.26Å; V18-L21 PolarHBondContact O-N 3.49Å; E19-L21 VanDerWaalsContact C-N 3.31Å; E19-L21 PolarHBondContact O-N 3.1Å; L21-R23 VanDerWaalsContact C-N 3.33Å; L21-L24 PolarHBondContact O-N 2.87Å; L21-Q25 PolarHBondContact O-N 2.92Å; L21-L35 HydrophobicContact CB-CD2 4.27Å; L21-L35 HydrophobicContact CD2-CD2 3.5Å; L21-L35 VanDerWaalsContact CD2-CD2 3.5Å; L21-L35 HydrophobicContact CG-CD2 4.48Å; L21-L38 HydrophobicContact CD1-CB 4.19Å; L21-L38 HydrophobicContact CD1-CD2 3.69Å; L21-L38 HydrophobicContact CD1-CG 3.7Å; L21-L38 HydrophobicContact CD2-CD2 3.61Å; L21-L38 HydrophobicContact CD2-CG 4.48Å; L21-L38 HydrophobicContact CG-CD2 4.3Å; L21-Q39 HydrophobicContact CB-CG 4.15Å; L21-Q39 HydrophobicContact CD1-CG 4.11Å; L21-L42 HydrophobicContact CD1-CD1 3.62Å
22E86.6Confident86.7Confident74 Ų7482.6 Ų82.635%0.34642%0.419SS..Hα-helixtrans-64.4-38.6173.2-68.9-177.3-179.900112V18 E19 L20 Q25 R26V18-E22 PolarHBondContact O-N 3.49Å; E19-E22 WeakPolarHBondContact O-CB 3.47Å; E19-E22 PolarHBondContact O-N 2.99Å; L20-E22 VanDerWaalsContact C-N 3.35Å; E22-Q25 WeakPolarHBondContact O-CB 3.35Å; E22-Q25 PolarHBondContact O-N 2.87Å; E22-R26 WeakPolarHBondContact O-CG 3.4Å; E22-R26 PolarHBondContact O-N 2.88Å; E22-R26 VanDerWaalsContact O-N 3.13Å; E22-R26 IonicContact OE2-NH2 3.48Å; E22-R26 PolarHBondContact OE2-NH2 3.39Å
23R87.9Confident86.7Confident148 Ų14883.2 Ų83.256%0.55843%0.428SS*.Hα-helixtrans-66.1-42.4177-69.817563176.8-1.4111.7E19 L20 L21 Q25 R26 S27E19-R23 WeakPolarHBondContact O-CG 3.49Å; E19-R23 PolarHBondContact O-N 3.23Å; L20-R23 PolarHBondContact O-N 3.13Å; L21-R23 VanDerWaalsContact C-N 3.33Å; R23-Q25 VanDerWaalsContact C-N 3.28Å; R23-Q25 PolarHBondContact O-N 3.13Å; R23-R26 PolarHBondContact O-N 3.22Å; R23-S27 PolarHBondContact O-N 3.47Å
24L86.7Confident86.6Confident53 Ų5387.4 Ų87.428%0.27744%0.444SS..Hα-helixtrans-63.5-33.4173.8-72.8170.3000112.3L20 L21 R26 S27 G28 E29 L30 L35L20-L24 WeakPolarHBondContact O-CG 3.36Å; L20-L24 PolarHBondContact O-N 3.45Å; L21-L24 PolarHBondContact O-N 2.87Å; L24-R26 VanDerWaalsContact C-N 3.32Å; L24-S27 PolarHBondContact O-N 3.18Å; L24-S27 PolarHBondContact O-OG 2.98Å; L24-G28 PolarHBondContact O-N 3.38Å; L24-E29 HydrophobicContact CD2-CB 4.33Å; L24-E29 WeakPolarHBondContact CD2-OE2 3.48Å; L24-L30 HydrophobicContact CD1-CD1 4.48Å; L24-L35 HydrophobicContact CB-CD1 4.42Å; L24-L35 HydrophobicContact CB-CD2 4.39Å
25Q84.2Confident86.5Confident81 Ų8186 Ų8638%0.37944%0.436SS..Hα-helixtrans-64.9-40174.5-164.2174.19.700111.4L21 E22 R23 G28 P32 L35L21-Q25 PolarHBondContact O-N 2.92Å; E22-Q25 WeakPolarHBondContact O-CB 3.35Å; E22-Q25 PolarHBondContact O-N 2.87Å; R23-Q25 VanDerWaalsContact C-N 3.28Å; R23-Q25 PolarHBondContact O-N 3.13Å; Q25-G28 PolarHBondContact O-N 3.14Å; Q25-P32 HydrophobicContact CG-CB 4.39Å; Q25-L35 HydrophobicContact CB-CD1 3.48Å; Q25-L35 VanDerWaalsContact CB-CD1 3.48Å; Q25-L35 HydrophobicContact CG-CD1 3.9Å
26R85.2Confident86.5Confident191 Ų19186.9 Ų86.972%0.72143%0.432SS*.Hα-helixtrans-72-32.3178.4-66.2178.2-141.3172.75.4112.7E22 R23 L24 G28E22-R26 WeakPolarHBondContact O-CG 3.4Å; E22-R26 PolarHBondContact O-N 2.88Å; E22-R26 VanDerWaalsContact O-N 3.13Å; E22-R26 IonicContact OE2-NH2 3.48Å; E22-R26 PolarHBondContact OE2-NH2 3.39Å; R23-R26 PolarHBondContact O-N 3.22Å; L24-R26 VanDerWaalsContact C-N 3.32Å; R26-G28 VanDerWaalsContact C-N 3.28Å
27S88.4Confident86.3Confident65 Ų6582.3 Ų82.346%0.45543%0.426SS..Hα-helixtrans-75.8-15.9177.268.30000113.4R23 L24 E29R23-S27 PolarHBondContact O-N 3.47Å; L24-S27 PolarHBondContact O-N 3.18Å; L24-S27 PolarHBondContact O-OG 2.98Å; S27-E29 VanDerWaalsContact C-N 3.29Å; S27-E29 WeakPolarHBondContact CB-OE1 3.44Å; S27-E29 VanDerWaalsContact OG-CD 3.3Å; S27-E29 WeakPolarHBondContact OG-CG 3.5Å; S27-E29 PolarHBondContact OG-OE1 3.07Å
28G83.5Confident86.3Confident61 Ų6184.6 Ų84.663%0.62943%0.433SS*.THydrogen-bonded Turntrans79.49.1179.700000114.2L24 Q25 R26 L30L24-G28 PolarHBondContact O-N 3.38Å; Q25-G28 PolarHBondContact O-N 3.14Å; R26-G28 VanDerWaalsContact C-N 3.28Å; G28-L30 VanDerWaalsContact C-N 3.3Å; G28-L30 PolarHBondContact O-N 2.88Å
29E84Confident86.3Confident136 Ų13685.1 Ų85.164%0.63644%0.435SS*.SBendtrans-70.3-24.1-177.8-74.5170.1-122.400113.6L24 S27L24-E29 HydrophobicContact CD2-CB 4.33Å; L24-E29 WeakPolarHBondContact CD2-OE2 3.48Å; S27-E29 VanDerWaalsContact C-N 3.29Å; S27-E29 WeakPolarHBondContact CB-OE1 3.44Å; S27-E29 VanDerWaalsContact OG-CD 3.3Å; S27-E29 WeakPolarHBondContact OG-CG 3.5Å; S27-E29 PolarHBondContact OG-OE1 3.07Å
30L78.8Confident86.3Confident72 Ų7287.9 Ų87.938%0.37744%0.441SS..SBendtrans-131.3145.4177.9-90.6103.3000112.7L24 G28 L35L24-L30 HydrophobicContact CD1-CD1 4.48Å; G28-L30 VanDerWaalsContact C-N 3.3Å; G28-L30 PolarHBondContact O-N 2.88Å; L30-L35 HydrophobicContact CB-CD1 3.83Å; L30-L35 HydrophobicContact CB-CD2 4Å; L30-L35 HydrophobicContact CB-CG 3.83Å; L30-L35 HydrophobicContact CD2-CD2 4.27Å
31P84.8Confident86.4Confident71 Ų7188 Ų8846%0.46145%0.445SS..  trans-55.8132174.1-24.833.4000111.9Q33 K34 L35P31-Q33 PolarHBondContact O-N 2.86Å; P31-Q33 VanDerWaalsContact O-N 3.14Å; P31-K34 HydrophobicContact CG-CD 4.47Å; P31-K34 PolarHBondContact O-N 2.82Å; P31-L35 PolarHBondContact O-N 2.96Å
32P84.2Confident86.5Confident76 Ų7688.9 Ų88.949%0.49445%0.449SS..Hα-helixtrans-60.6-31.6-173.823.1-34.1000112.7Q25 K34 L35 Q36Q25-P32 HydrophobicContact CG-CB 4.39Å; P32-K34 PolarHBondContact O-N 3.43Å; P32-L35 PolarHBondContact O-N 3.43Å; P32-Q36 WeakPolarHBondContact O-CB 3.43Å; P32-Q36 PolarHBondContact O-N 3.31Å
33Q86.7Confident86.7Confident162 Ų16291.2 Ų91.276%0.75746%0.46SS*.Hα-helixtrans-61.6-40.9177.1-67.4178.2-1900112.6P31 A37P31-Q33 PolarHBondContact O-N 2.86Å; P31-Q33 VanDerWaalsContact O-N 3.14Å; Q33-A37 WeakPolarHBondContact O-CB 3.34Å; Q33-A37 PolarHBondContact O-N 2.93Å; Q33-A37 VanDerWaalsContact O-N 3.09Å
34K84.1Confident86.7Confident142 Ų14285.8 Ų85.862%0.61745%0.445SS*.Hα-helixtrans-70.3-42.2179.5-70.2-172.3177.4-177.40111.2P31 P32 A37 L38P31-K34 HydrophobicContact CG-CD 4.47Å; P31-K34 PolarHBondContact O-N 2.82Å; P32-K34 PolarHBondContact O-N 3.43Å; K34-A37 PolarHBondContact O-N 2.64Å; K34-L38 PolarHBondContact O-N 3.35Å
35L86.4Confident86.7Confident2 Ų294.4 Ų94.41%0.0147%0.474CS..Hα-helixtrans-63.9-45.4177.9-68.1172.5000111.5L21 L24 Q25 L30 P31 P32 A37 L38 Q39L21-L35 HydrophobicContact CB-CD2 4.27Å; L21-L35 HydrophobicContact CD2-CD2 3.5Å; L21-L35 VanDerWaalsContact CD2-CD2 3.5Å; L21-L35 HydrophobicContact CG-CD2 4.48Å; L24-L35 HydrophobicContact CB-CD1 4.42Å; L24-L35 HydrophobicContact CB-CD2 4.39Å; Q25-L35 HydrophobicContact CB-CD1 3.48Å; Q25-L35 VanDerWaalsContact CB-CD1 3.48Å; Q25-L35 HydrophobicContact CG-CD1 3.9Å; L30-L35 HydrophobicContact CB-CD1 3.83Å; L30-L35 HydrophobicContact CB-CD2 4Å; L30-L35 HydrophobicContact CB-CG 3.83Å; L30-L35 HydrophobicContact CD2-CD2 4.27Å; P31-L35 PolarHBondContact O-N 2.96Å; P32-L35 PolarHBondContact O-N 3.43Å; L35-A37 VanDerWaalsContact C-N 3.32Å; L35-A37 PolarHBondContact O-N 3.19Å; L35-L38 PolarHBondContact O-N 2.82Å; L35-Q39 WeakPolarHBondContact O-CG 3.34Å; L35-Q39 PolarHBondContact O-N 2.96Å
36Q87.2Confident86.8Confident91 Ų9196.2 Ų96.243%0.42548%0.48SS..Hα-helixtrans-62.8-39.1177.1-168.3-178.919.700111.9P32 R40P32-Q36 WeakPolarHBondContact O-CB 3.43Å; P32-Q36 PolarHBondContact O-N 3.31Å; Q36-R40 VanDerWaalsContact NE2-NH2 3.17Å; Q36-R40 WeakPolarHBondContact O-CB 3.31Å; Q36-R40 VanDerWaalsContact O-CG 3.3Å; Q36-R40 WeakPolarHBondContact O-CG 3.35Å; Q36-R40 PolarHBondContact O-N 3.5Å
37A87.9Confident87Confident53 Ų5388.4 Ų88.444%0.43846%0.455SS..Hα-helixtrans-61.6-44.6174.700000111.5Q33 K34 L35 R40 V41Q33-A37 WeakPolarHBondContact O-CB 3.34Å; Q33-A37 PolarHBondContact O-N 2.93Å; Q33-A37 VanDerWaalsContact O-N 3.09Å; K34-A37 PolarHBondContact O-N 2.64Å; L35-A37 VanDerWaalsContact C-N 3.32Å; L35-A37 PolarHBondContact O-N 3.19Å; A37-R40 PolarHBondContact O-N 3.16Å; A37-V41 WeakPolarHBondContact O-CG2 3.18Å; A37-V41 PolarHBondContact O-N 2.92Å
38L89.2Confident86.9Confident81 Ų8187.2 Ų87.242%0.42445%0.447SS..Hα-helixtrans-66.9-41.8178.7-173.858.3000112.4L21 K34 L35 R40 V41 L42L21-L38 HydrophobicContact CD1-CB 4.19Å; L21-L38 HydrophobicContact CD1-CD2 3.69Å; L21-L38 HydrophobicContact CD1-CG 3.7Å; L21-L38 HydrophobicContact CD2-CD2 3.61Å; L21-L38 HydrophobicContact CD2-CG 4.48Å; L21-L38 HydrophobicContact CG-CD2 4.3Å; K34-L38 PolarHBondContact O-N 3.35Å; L35-L38 PolarHBondContact O-N 2.82Å; L38-R40 VanDerWaalsContact C-N 3.34Å; L38-R40 PolarHBondContact O-N 3.39Å; L38-V41 PolarHBondContact O-N 2.67Å; L38-V41 VanDerWaalsContact O-N 3.17Å; L38-L42 HydrophobicContact CD1-CG 4.49Å; L38-L42 HydrophobicContact CG-CD1 4.29Å; L38-L42 WeakPolarHBondContact O-CG 3.42Å; L38-L42 PolarHBondContact O-N 2.92Å
39Q88Confident87Confident23 Ų2386.1 Ų86.111%0.10743%0.431CS..Hα-helixtrans-58.2-45.9173-75.3174.7-22.500111.5V18 L21 L35 V41 L42 Q43V18-Q39 HydrophobicContact CG1-CG 4.48Å; L21-Q39 HydrophobicContact CB-CG 4.15Å; L21-Q39 HydrophobicContact CD1-CG 4.11Å; L35-Q39 WeakPolarHBondContact O-CG 3.34Å; L35-Q39 PolarHBondContact O-N 2.96Å; Q39-V41 VanDerWaalsContact C-N 3.27Å; Q39-V41 PolarHBondContact O-N 2.8Å; Q39-L42 PolarHBondContact O-N 3.23Å; Q39-Q43 WeakPolarHBondContact O-CB 3.45Å; Q39-Q43 WeakPolarHBondContact O-CG 3.37Å; Q39-Q43 PolarHBondContact O-N 3.4Å
40R90.4Very high87.2Confident164 Ų16482.2 Ų82.262%0.61941%0.414SS*.Hα-helixtrans-59-38.8176-76.4178.6-172.6177.46.2112.3Q36 A37 L38 S44Q36-R40 VanDerWaalsContact NE2-NH2 3.17Å; Q36-R40 WeakPolarHBondContact O-CB 3.31Å; Q36-R40 VanDerWaalsContact O-CG 3.3Å; Q36-R40 WeakPolarHBondContact O-CG 3.35Å; Q36-R40 PolarHBondContact O-N 3.5Å; A37-R40 PolarHBondContact O-N 3.16Å; L38-R40 VanDerWaalsContact C-N 3.34Å; L38-R40 PolarHBondContact O-N 3.39Å; R40-S44 WeakPolarHBondContact O-CB 3.23Å; R40-S44 PolarHBondContact O-N 2.86Å; R40-S44 VanDerWaalsContact O-N 3.08Å
41V91.9Very high87.6Confident86 Ų8680.6 Ų80.652%0.52140%0.403SS..Hα-helixtrans-66.9-50.7176.8171.80000110.6A37 L38 Q39 Q43 S44 C47A37-V41 WeakPolarHBondContact O-CG2 3.18Å; A37-V41 PolarHBondContact O-N 2.92Å; L38-V41 PolarHBondContact O-N 2.67Å; L38-V41 VanDerWaalsContact O-N 3.17Å; Q39-V41 VanDerWaalsContact C-N 3.27Å; Q39-V41 PolarHBondContact O-N 2.8Å; V41-Q43 VanDerWaalsContact C-N 3.27Å; V41-Q43 PolarHBondContact O-N 3.24Å; V41-S44 VanDerWaalsContact O-CB 3.29Å; V41-S44 WeakPolarHBondContact O-CB 3.35Å; V41-S44 PolarHBondContact O-N 3.11Å; V41-S44 PolarHBondContact O-OG 2.88Å; V41-C47 WeakPolarHBondContact O-CB 3.42Å
42L90.9Very high87.8Confident35 Ų3582.8 Ų82.818%0.18341%0.407CS..Hα-helixtrans-62-33.7-179.3-72.1175.8000113.1V14 A17 V18 L21 L38 Q39V14-L42 HydrophobicContact CG1-CB 4.22Å; V14-L42 WeakPolarHBondContact CG1-O 3.43Å; A17-L42 HydrophobicContact CB-CD1 3.98Å; V18-L42 HydrophobicContact CG2-CB 4.06Å; V18-L42 HydrophobicContact CG2-CD1 4.22Å; L21-L42 HydrophobicContact CD1-CD1 3.62Å; L38-L42 HydrophobicContact CD1-CG 4.49Å; L38-L42 HydrophobicContact CG-CD1 4.29Å; L38-L42 WeakPolarHBondContact O-CG 3.42Å; L38-L42 PolarHBondContact O-N 2.92Å; Q39-L42 PolarHBondContact O-N 3.23Å
43Q89.5Confident88Confident122 Ų12281.2 Ų81.257%0.5740%0.396SS*.THydrogen-bonded Turntrans-91.52.2177.5-64177-3000113.3V18 Q39 V41V18-Q43 HydrophobicContact CG2-CG 3.98Å; Q39-Q43 WeakPolarHBondContact O-CB 3.45Å; Q39-Q43 WeakPolarHBondContact O-CG 3.37Å; Q39-Q43 PolarHBondContact O-N 3.4Å; V41-Q43 VanDerWaalsContact C-N 3.27Å; V41-Q43 PolarHBondContact O-N 3.24Å
44S89.1Confident88.2Confident34 Ų3475.7 Ų75.724%0.23837%0.369CS..SBendtrans-72.4146.9-178.370.10000111.5R40 V41 F46 C47 S48R40-S44 WeakPolarHBondContact O-CB 3.23Å; R40-S44 PolarHBondContact O-N 2.86Å; R40-S44 VanDerWaalsContact O-N 3.08Å; V41-S44 VanDerWaalsContact O-CB 3.29Å; V41-S44 WeakPolarHBondContact O-CB 3.35Å; V41-S44 PolarHBondContact O-N 3.11Å; V41-S44 PolarHBondContact O-OG 2.88Å; S44-F46 PolarHBondContact O-N 3.4Å; S44-F46 VanDerWaalsContact O-N 3.11Å; S44-C47 PolarHBondContact O-N 3.35Å; S44-C47 WeakPolarHBondContact OG-CB 3.34Å; S44-C47 PolarHBondContact OG-N 3.5Å; S44-C47 VanDerWaalsContact OG-N 3.08Å; S44-S48 PolarHBondContact O-N 2.89Å; S44-S48 PolarHBondContact O-OG 3.43Å
45R87.6Confident88.5Confident235 Ų23571.9 Ų71.989%0.88735%0.353SS*.Hα-helixtrans-54.1-30.6170.6-68.5-173.9174.3-155.6-2.4112.5A49R45-A49 WeakPolarHBondContact O-CB 3.42Å; R45-A49 PolarHBondContact O-N 2.95Å
46F85.4Confident88.5Confident118 Ų11878.2 Ų78.252%0.51838%0.383SS..Hα-helixtrans-66.8-46.6176.5179.6-107.7000111.9S44 A49 I50S44-F46 PolarHBondContact O-N 3.4Å; S44-F46 VanDerWaalsContact O-N 3.11Å; F46-A49 PolarHBondContact O-N 3.21Å; F46-I50 HydrophobicContact CD1-CD1 3.8Å; F46-I50 HydrophobicContact CE1-CD1 3.29Å; F46-I50 HydrophobicContact CE1-CG1 4.41Å; F46-I50 HydrophobicContact CE2-CD1 4.11Å; F46-I50 HydrophobicContact CG-CD1 4.41Å; F46-I50 HydrophobicContact CZ-CD1 3.48Å; F46-I50 VanDerWaalsContact CZ-CD1 3.48Å; F46-I50 HydrophobicContact CZ-CG1 4.35Å; F46-I50 WeakPolarHBondContact O-CG1 3.4Å; F46-I50 PolarHBondContact O-N 2.96Å
47C88.3Confident88.6Confident28 Ų2875.7 Ų75.719%0.18937%0.372CS..Hα-helixtrans-64.1-41.2176-174.40000111.7V41 S44 A49 I50 R51V41-C47 WeakPolarHBondContact O-CB 3.42Å; S44-C47 PolarHBondContact O-N 3.35Å; S44-C47 WeakPolarHBondContact OG-CB 3.34Å; S44-C47 PolarHBondContact OG-N 3.5Å; S44-C47 VanDerWaalsContact OG-N 3.08Å; C47-A49 PolarHBondContact O-N 3Å; C47-I50 PolarHBondContact O-N 2.95Å; C47-R51 WeakPolarHBondContact O-CB 3.46Å; C47-R51 PolarHBondContact O-N 2.75Å
48S87.6Confident88.6Confident40 Ų4075.6 Ų75.628%0.2836%0.361SS..Hα-helixtrans-58.6-46.3173.3-53.60000112S44 I50 R51 E52S44-S48 PolarHBondContact O-N 2.89Å; S44-S48 PolarHBondContact O-OG 3.43Å; S48-I50 PolarHBondContact O-N 2.82Å; S48-R51 WeakPolarHBondContact O-CB 3.47Å; S48-R51 PolarHBondContact O-N 3.14Å; S48-E52 WeakPolarHBondContact O-CG 3.39Å; S48-E52 PolarHBondContact O-N 2.83Å
49A84.1Confident88.5Confident37 Ų3778.1 Ų78.131%0.30638%0.375SS..Hα-helixtrans-63.2-40.617700000112.4R45 F46 C47 R51 E52 V53R45-A49 WeakPolarHBondContact O-CB 3.42Å; R45-A49 PolarHBondContact O-N 2.95Å; F46-A49 PolarHBondContact O-N 3.21Å; C47-A49 PolarHBondContact O-N 3Å; A49-R51 VanDerWaalsContact C-N 3.32Å; A49-R51 PolarHBondContact O-N 3.45Å; A49-E52 PolarHBondContact O-N 3.41Å; A49-V53 WeakPolarHBondContact O-CG2 3.23Å; A49-V53 PolarHBondContact O-N 3.38Å; A49-V53 VanDerWaalsContact O-N 3.15Å
50I88.6Confident88.5Confident54 Ų5481.3 Ų81.328%0.27740%0.395SS..Hα-helixtrans-61.4-43.5175.2-71.7173000111.1F46 C47 S48 V53 Y54 T78 F82F46-I50 HydrophobicContact CD1-CD1 3.8Å; F46-I50 HydrophobicContact CE1-CD1 3.29Å; F46-I50 HydrophobicContact CE1-CG1 4.41Å; F46-I50 HydrophobicContact CE2-CD1 4.11Å; F46-I50 HydrophobicContact CG-CD1 4.41Å; F46-I50 HydrophobicContact CZ-CD1 3.48Å; F46-I50 VanDerWaalsContact CZ-CD1 3.48Å; F46-I50 HydrophobicContact CZ-CG1 4.35Å; F46-I50 WeakPolarHBondContact O-CG1 3.4Å; F46-I50 PolarHBondContact O-N 2.96Å; C47-I50 PolarHBondContact O-N 2.95Å; S48-I50 PolarHBondContact O-N 2.82Å; I50-V53 PolarHBondContact O-N 3.11Å; I50-Y54 WeakPolarHBondContact O-CB 3.36Å; I50-Y54 PolarHBondContact O-N 2.98Å; I50-T78 HydrophobicContact CG2-CG2 4.04Å; I50-F82 HydrophobicContact CB-CE2 4.08Å; I50-F82 HydrophobicContact CB-CZ 4.2Å; I50-F82 HydrophobicContact CG1-CD1 4.44Å; I50-F82 HydrophobicContact CG1-CD2 4.08Å; I50-F82 HydrophobicContact CG1-CE1 3.98Å; I50-F82 HydrophobicContact CG1-CE2 3.59Å; I50-F82 HydrophobicContact CG1-CG 4.49Å; I50-F82 HydrophobicContact CG1-CZ 3.53Å; I50-F82 HydrophobicContact CG2-CE2 4.47Å
51R88.6Confident88.1Confident38 Ų3876.4 Ų76.414%0.14338%0.381CS..Hα-helixtrans-58.9-49.3178.2-175.1-171.374.3-170.211111.3L10 E11 C47 S48 A49 V53 Y54 E55L10-R51 HydrophobicContact CB-CG 3.6Å; L10-R51 HydrophobicContact CD1-CG 4.11Å; E11-R51 VanDerWaalsContact CD-NH2 3.35Å; E11-R51 VanDerWaalsContact CG-NH1 3.28Å; E11-R51 IonicContact OE1-CZ 3.27Å; E11-R51 IonicContact OE1-NH1 3.78Å; E11-R51 PolarHBondContact OE1-NH1 2.99Å; E11-R51 IonicContact OE1-NH2 2.64Å; E11-R51 PolarHBondContact OE1-NH2 3.1Å; E11-R51 IonicContact OE2-NH2 3.19Å; C47-R51 WeakPolarHBondContact O-CB 3.46Å; C47-R51 PolarHBondContact O-N 2.75Å; S48-R51 WeakPolarHBondContact O-CB 3.47Å; S48-R51 PolarHBondContact O-N 3.14Å; A49-R51 VanDerWaalsContact C-N 3.32Å; A49-R51 PolarHBondContact O-N 3.45Å; R51-V53 VanDerWaalsContact C-N 3.34Å; R51-V53 PolarHBondContact O-N 3.01Å; R51-Y54 WeakPolarHBondContact O-CB 3.46Å; R51-Y54 PolarHBondContact O-N 2.99Å; R51-Y54 VanDerWaalsContact O-N 3.14Å; R51-E55 HydrophobicContact CG-CG 4.47Å; R51-E55 WeakPolarHBondContact O-CG 3.37Å; R51-E55 PolarHBondContact O-N 2.96Å
52E88.8Confident87.8Confident117 Ų11780.3 Ų80.355%0.54740%0.399SS..Hα-helixtrans-58.3-45.1179.1-72.7170.5-157.600111.9S48 A49 Y54 E55 Q56S48-E52 WeakPolarHBondContact O-CG 3.39Å; S48-E52 PolarHBondContact O-N 2.83Å; A49-E52 PolarHBondContact O-N 3.41Å; E52-Y54 VanDerWaalsContact C-N 3.35Å; E52-Y54 PolarHBondContact O-N 3.39Å; E52-E55 PolarHBondContact O-N 3.41Å; E52-Q56 WeakPolarHBondContact O-CB 3.31Å; E52-Q56 PolarHBondContact O-N 3.17Å
53V88.3Confident87.5Confident43 Ų4380.8 Ų80.826%0.26140%0.401SS..Hα-helixtrans-64.5-40.7176.4174.70000111.2A49 I50 R51 L57 T78 A81 F82A49-V53 WeakPolarHBondContact O-CG2 3.23Å; A49-V53 PolarHBondContact O-N 3.38Å; A49-V53 VanDerWaalsContact O-N 3.15Å; I50-V53 PolarHBondContact O-N 3.11Å; R51-V53 VanDerWaalsContact C-N 3.34Å; R51-V53 PolarHBondContact O-N 3.01Å; V53-L57 HydrophobicContact CG1-CD1 3.84Å; V53-L57 HydrophobicContact CG1-CG 4.33Å; V53-L57 WeakPolarHBondContact O-CB 3.31Å; V53-L57 VanDerWaalsContact O-CG 3.27Å; V53-L57 WeakPolarHBondContact O-CG 3.24Å; V53-L57 PolarHBondContact O-N 3.43Å; V53-T78 HydrophobicContact CB-CG2 4.36Å; V53-T78 HydrophobicContact CG1-CG2 4.03Å; V53-A81 HydrophobicContact CG1-CB 4.46Å; V53-F82 HydrophobicContact CB-CE2 3.71Å; V53-F82 HydrophobicContact CB-CZ 4.29Å; V53-F82 HydrophobicContact CG1-CD2 4.45Å; V53-F82 HydrophobicContact CG1-CE2 3.93Å; V53-F82 HydrophobicContact CG2-CE2 3.71Å; V53-F82 HydrophobicContact CG2-CZ 3.81Å
54Y90.7Very high87.3Confident47 Ų4781.5 Ų81.518%0.18441%0.414CS..Hα-helixtrans-62.1-48.9176.6-179.9-79.1000111.3L10 I50 R51 E52 Q56 L57 Y58 A71 T74 A75 T78L10-Y54 HydrophobicContact CD1-CD1 3.31Å; L10-Y54 HydrophobicContact CD1-CE1 3.72Å; L10-Y54 HydrophobicContact CD1-CG 4.13Å; I50-Y54 WeakPolarHBondContact O-CB 3.36Å; I50-Y54 PolarHBondContact O-N 2.98Å; R51-Y54 WeakPolarHBondContact O-CB 3.46Å; R51-Y54 PolarHBondContact O-N 2.99Å; R51-Y54 VanDerWaalsContact O-N 3.14Å; E52-Y54 VanDerWaalsContact C-N 3.35Å; E52-Y54 PolarHBondContact O-N 3.39Å; Y54-Q56 VanDerWaalsContact C-N 3.34Å; Y54-Q56 PolarHBondContact O-N 3.1Å; Y54-L57 PolarHBondContact O-N 3.31Å; Y54-Y58 AromaticContact CE1-CD2 3.9Å; Y54-Y58 HydrophobicContact CE1-CD2 3.9Å; Y54-Y58 HydrophobicContact CE1-CG 4.26Å; Y54-Y58 VanDerWaalsContact O-CB 3.29Å; Y54-Y58 WeakPolarHBondContact O-CB 3.45Å; Y54-Y58 PolarHBondContact O-N 3.42Å; Y54-A71 VanDerWaalsContact OH-CA 3.31Å; Y54-A71 WeakPolarHBondContact OH-CA 3.35Å; Y54-A71 WeakPolarHBondContact OH-CB 3.15Å; Y54-A71 PolarHBondContact OH-O 3.31Å; Y54-T74 HydrophobicContact CD1-CG2 4.31Å; Y54-T74 HydrophobicContact CD2-CG2 3.8Å; Y54-T74 HydrophobicContact CE1-CG2 4.24Å; Y54-T74 HydrophobicContact CE2-CG2 3.73Å; Y54-T74 HydrophobicContact CG-CG2 4.1Å; Y54-T74 WeakPolarHBondContact O-CG2 3.35Å; Y54-A75 HydrophobicContact CD2-CB 4.48Å; Y54-A75 HydrophobicContact CE2-CB 3.96Å; Y54-T78 WeakPolarHBondContact CA-OG1 3.47Å
55E90.2Very high87.2Confident61 Ų6182.9 Ų82.929%0.28543%0.434SS..Hα-helixtrans-60.1-46.2179.6-71175.4155.500110.5L10 R51 E52 L57 Y58 D59L10-E55 HydrophobicContact CD1-CG 3.88Å; L10-E55 PolarHBondContact N-OE1 2.91Å; R51-E55 HydrophobicContact CG-CG 4.47Å; R51-E55 WeakPolarHBondContact O-CG 3.37Å; R51-E55 PolarHBondContact O-N 2.96Å; E52-E55 PolarHBondContact O-N 3.41Å; E55-L57 PolarHBondContact O-N 3.43Å; E55-Y58 WeakPolarHBondContact O-CB 3.43Å; E55-Y58 PolarHBondContact O-N 2.82Å; E55-D59 PolarHBondContact O-N 3.38Å
56Q87.5Confident87.3Confident135 Ų13574.6 Ų74.663%0.63141%0.412SS*.Hα-helixtrans-62.3-41.5177.1-171.2174.1-2.200112.3E52 Y54 T60E52-Q56 WeakPolarHBondContact O-CB 3.31Å; E52-Q56 PolarHBondContact O-N 3.17Å; Y54-Q56 VanDerWaalsContact C-N 3.34Å; Y54-Q56 PolarHBondContact O-N 3.1Å; Q56-T60 WeakPolarHBondContact O-CB 3.4Å; Q56-T60 VanDerWaalsContact O-CG2 3.23Å; Q56-T60 WeakPolarHBondContact O-CG2 3.24Å; Q56-T60 PolarHBondContact O-N 3.19Å; Q56-T60 VanDerWaalsContact O-N 3.15Å; Q56-T60 PolarHBondContact O-OG1 3.07Å
57L88.3Confident87.4Confident38 Ų3872.2 Ų72.220%0.19941%0.414CS..Hα-helixtrans-68.7-37175.7-73.8174000112.1V53 Y54 E55 D59 T60 L61 T74 A77 A81V53-L57 HydrophobicContact CG1-CD1 3.84Å; V53-L57 HydrophobicContact CG1-CG 4.33Å; V53-L57 WeakPolarHBondContact O-CB 3.31Å; V53-L57 VanDerWaalsContact O-CG 3.27Å; V53-L57 WeakPolarHBondContact O-CG 3.24Å; V53-L57 PolarHBondContact O-N 3.43Å; Y54-L57 PolarHBondContact O-N 3.31Å; E55-L57 PolarHBondContact O-N 3.43Å; L57-D59 VanDerWaalsContact C-N 3.31Å; L57-D59 PolarHBondContact O-N 2.85Å; L57-T60 WeakPolarHBondContact CA-OG1 3.42Å; L57-T60 PolarHBondContact O-N 3.48Å; L57-T60 PolarHBondContact O-OG1 3.07Å; L57-L61 HydrophobicContact CB-CD1 4.18Å; L57-L61 HydrophobicContact CD2-CD1 4.45Å; L57-L61 VanDerWaalsContact O-CB 3.24Å; L57-L61 WeakPolarHBondContact O-CB 3.35Å; L57-L61 WeakPolarHBondContact O-CG 3.45Å; L57-L61 PolarHBondContact O-N 3.15Å; L57-T74 HydrophobicContact CB-CG2 3.79Å; L57-A77 HydrophobicContact CD1-CB 4.06Å; L57-A81 HydrophobicContact CD1-CB 4.46Å
58Y88.7Confident87.4Confident52 Ų5278.5 Ų78.520%0.20444%0.441CS..Hα-helixtrans-63.7-39179.3-163.7-99.2000111.8Y54 E55 R70 A71 T74Y54-Y58 AromaticContact CE1-CD2 3.9Å; Y54-Y58 HydrophobicContact CE1-CD2 3.9Å; Y54-Y58 HydrophobicContact CE1-CG 4.26Å; Y54-Y58 VanDerWaalsContact O-CB 3.29Å; Y54-Y58 WeakPolarHBondContact O-CB 3.45Å; Y54-Y58 PolarHBondContact O-N 3.42Å; E55-Y58 WeakPolarHBondContact O-CB 3.43Å; E55-Y58 PolarHBondContact O-N 2.82Å; Y58-R70 HydrophobicContact CD2-CG 4.2Å; Y58-R70 HydrophobicContact CE2-CB 4.38Å; Y58-R70 HydrophobicContact CE2-CG 3.76Å; Y58-R70 VanDerWaalsContact CZ-CZ 3.46Å; Y58-R70 PolarHBondContact OH-NE 3.46Å; Y58-R70 PolarHBondContact OH-NH2 3.47Å; Y58-A71 HydrophobicContact CE2-CB 4.28Å; Y58-T74 HydrophobicContact CD2-CG2 4.03Å; Y58-T74 WeakPolarHBondContact CD2-OG1 3.44Å; Y58-T74 HydrophobicContact CG-CG2 4.43Å
59D86.6Confident87.5Confident134 Ų13480.2 Ų80.272%0.71745%0.449SS*.Hα-helixtrans-78-28179.5-72.4-14.2000112.9E55 L57E55-D59 PolarHBondContact O-N 3.38Å; L57-D59 VanDerWaalsContact C-N 3.31Å; L57-D59 PolarHBondContact O-N 2.85Å
60T86.8Confident87.7Confident89 Ų8983 Ų8355%0.54645%0.452SS..Hα-helixtrans-93.8-25.9-175.851.90000114.5Q56 L57 D62Q56-T60 WeakPolarHBondContact O-CB 3.4Å; Q56-T60 VanDerWaalsContact O-CG2 3.23Å; Q56-T60 WeakPolarHBondContact O-CG2 3.24Å; Q56-T60 PolarHBondContact O-N 3.19Å; Q56-T60 VanDerWaalsContact O-N 3.15Å; Q56-T60 PolarHBondContact O-OG1 3.07Å; L57-T60 WeakPolarHBondContact CA-OG1 3.42Å; L57-T60 PolarHBondContact O-N 3.48Å; L57-T60 PolarHBondContact O-OG1 3.07Å; T60-D62 PolarHBondContact O-N 3.18Å
61L82.9Confident87.7Confident62 Ų6281.8 Ų81.833%0.32545%0.45SS..  trans-85.1112.3-178-68.1173.4000111.4L57 I63 A77L57-L61 HydrophobicContact CB-CD1 4.18Å; L57-L61 HydrophobicContact CD2-CD1 4.45Å; L57-L61 VanDerWaalsContact O-CB 3.24Å; L57-L61 WeakPolarHBondContact O-CB 3.35Å; L57-L61 WeakPolarHBondContact O-CG 3.45Å; L57-L61 PolarHBondContact O-N 3.15Å; L61-I63 HydrophobicContact CB-CD1 3.7Å; L61-I63 HydrophobicContact CB-CG1 3.98Å; L61-I63 HydrophobicContact CD1-CD1 4.04Å; L61-I63 PolarHBondContact O-N 3.43Å; L61-A77 HydrophobicContact CD1-CB 3.89Å
62D85.7Confident87.8Confident167 Ų16786.4 Ų86.489%0.89347%0.473SS*.  trans-73.673.3169.4-74-33.9000111.5T60T60-D62 PolarHBondContact O-N 3.18Å
63I83.6Confident87.9Confident45 Ų4582.6 Ų82.623%0.23146%0.461CS..  trans-89.1114.2176.4-62.4150.3000109.6L61 V69 R70 A73L61-I63 HydrophobicContact CB-CD1 3.7Å; L61-I63 HydrophobicContact CB-CG1 3.98Å; L61-I63 HydrophobicContact CD1-CD1 4.04Å; L61-I63 PolarHBondContact O-N 3.43Å; I63-V69 HydrophobicContact CG2-CG1 4.34Å; I63-R70 HydrophobicContact CB-CB 4.34Å; I63-R70 HydrophobicContact CB-CG 4.1Å; I63-R70 HydrophobicContact CD1-CG 4.02Å; I63-R70 HydrophobicContact CG2-CB 4.32Å; I63-A73 HydrophobicContact CD1-CB 3.62Å; I63-A73 HydrophobicContact CG1-CB 4.25Å; I63-A73 HydrophobicContact CG2-CB 4.36Å
64T85.4Confident88.1Confident137 Ų13780.5 Ų80.584%0.8445%0.449SS*.  trans-74.6125.817153.30000110.2
65G87Confident88.1Confident63 Ų6380.2 Ų80.265%0.64946%0.456SS*.SBendtrans151.2-170.1179.900000113.7
66S90Very high88.2Confident61 Ų6184.5 Ų84.543%0.42747%0.474SS..  trans-70162.8172.470.10000111.4E68 V69 R70S66-E68 PolarHBondContact O-N 3.24Å; S66-V69 PolarHBondContact O-N 3.14Å; S66-V69 VanDerWaalsContact O-N 3.11Å; S66-V69 WeakPolarHBondContact OG-CG2 3.43Å; S66-V69 PolarHBondContact OG-N 3.21Å; S66-R70 PolarHBondContact O-N 2.98Å
67A87.1Confident88.4Confident68 Ų6879.4 Ų79.456%0.56246%0.455SS*.Hα-helixtrans-55.9-34.6174.900000112.5A71A67-A71 VanDerWaalsContact O-CB 3.31Å; A67-A71 WeakPolarHBondContact O-CB 3.4Å; A67-A71 PolarHBondContact O-N 2.84Å
68E88.6Confident88.5Confident161 Ų16177.8 Ų77.875%0.75245%0.447SS*.Hα-helixtrans-66.4-45.3176-64177.4175.100112.1S66 R70 A71 H72S66-E68 PolarHBondContact O-N 3.24Å; E68-R70 VanDerWaalsContact C-N 3.33Å; E68-R70 PolarHBondContact O-N 2.89Å; E68-A71 PolarHBondContact O-N 3.31Å; E68-H72 WeakPolarHBondContact O-CB 3.46Å; E68-H72 PolarHBondContact O-N 3.45Å
69V89.6Confident88.4Confident76 Ų7679.7 Ų79.746%0.46146%0.464SS..Hα-helixtrans-62.4-43.9176.91730000110.2I63 S66 H72 A73I63-V69 HydrophobicContact CG2-CG1 4.34Å; S66-V69 PolarHBondContact O-N 3.14Å; S66-V69 VanDerWaalsContact O-N 3.11Å; S66-V69 WeakPolarHBondContact OG-CG2 3.43Å; S66-V69 PolarHBondContact OG-N 3.21Å; V69-H72 PolarHBondContact O-N 3.43Å; V69-A73 WeakPolarHBondContact O-CB 3.38Å; V69-A73 PolarHBondContact O-N 2.92Å
70R89.1Confident88.3Confident94 Ų9475.6 Ų75.636%0.35545%0.448SS..Hα-helixtrans-61.2-47.5176-175.4169.375.1173.13.7111.9Y58 I63 S66 E68 H72 A73 T74Y58-R70 HydrophobicContact CD2-CG 4.2Å; Y58-R70 HydrophobicContact CE2-CB 4.38Å; Y58-R70 HydrophobicContact CE2-CG 3.76Å; Y58-R70 VanDerWaalsContact CZ-CZ 3.46Å; Y58-R70 PolarHBondContact OH-NE 3.46Å; Y58-R70 PolarHBondContact OH-NH2 3.47Å; I63-R70 HydrophobicContact CB-CB 4.34Å; I63-R70 HydrophobicContact CB-CG 4.1Å; I63-R70 HydrophobicContact CD1-CG 4.02Å; I63-R70 HydrophobicContact CG2-CB 4.32Å; S66-R70 PolarHBondContact O-N 2.98Å; E68-R70 VanDerWaalsContact C-N 3.33Å; E68-R70 PolarHBondContact O-N 2.89Å; R70-H72 PolarHBondContact O-N 2.81Å; R70-A73 PolarHBondContact O-N 3.37Å; R70-T74 WeakPolarHBondContact O-CB 3.35Å; R70-T74 PolarHBondContact O-N 3.24Å; R70-T74 PolarHBondContact O-OG1 3.2Å
71A88.6Confident88.1Confident30 Ų3073.2 Ų73.225%0.24844%0.438CS..Hα-helixtrans-61.3-43.8178.400000111.9Y54 Y58 A67 E68 T74 A75Y54-A71 VanDerWaalsContact OH-CA 3.31Å; Y54-A71 WeakPolarHBondContact OH-CA 3.35Å; Y54-A71 WeakPolarHBondContact OH-CB 3.15Å; Y54-A71 PolarHBondContact OH-O 3.31Å; Y58-A71 HydrophobicContact CE2-CB 4.28Å; A67-A71 VanDerWaalsContact O-CB 3.31Å; A67-A71 WeakPolarHBondContact O-CB 3.4Å; A67-A71 PolarHBondContact O-N 2.84Å; E68-A71 PolarHBondContact O-N 3.31Å; A71-T74 PolarHBondContact O-N 3.31Å; A71-A75 WeakPolarHBondContact O-CB 3.28Å; A71-A75 PolarHBondContact O-N 2.87Å
72H91.4Very high87.9Confident135 Ų13572.1 Ų72.163%0.62543%0.43SS*.Hα-helixtrans-64-46.9178.4-174.875.5000112.6E68 V69 R70 T74 A75 K76E68-H72 WeakPolarHBondContact O-CB 3.46Å; E68-H72 PolarHBondContact O-N 3.45Å; V69-H72 PolarHBondContact O-N 3.43Å; R70-H72 PolarHBondContact O-N 2.81Å; H72-T74 VanDerWaalsContact C-N 3.34Å; H72-T74 PolarHBondContact O-N 3.28Å; H72-A75 PolarHBondContact O-N 2.9Å; H72-K76 PolarHBondContact O-N 2.82Å
73A90.2Very high87.3Confident36 Ų3667.6 Ų67.630%0.29841%0.409SS..Hα-helixtrans-63.7-39.9177.600000111.8I63 V69 R70 K76 A77I63-A73 HydrophobicContact CD1-CB 3.62Å; I63-A73 HydrophobicContact CG1-CB 4.25Å; I63-A73 HydrophobicContact CG2-CB 4.36Å; V69-A73 WeakPolarHBondContact O-CB 3.38Å; V69-A73 PolarHBondContact O-N 2.92Å; R70-A73 PolarHBondContact O-N 3.37Å; A73-K76 PolarHBondContact O-N 2.81Å; A73-A77 WeakPolarHBondContact O-CB 3.38Å; A73-A77 PolarHBondContact O-N 2.75Å
74T91.8Very high86.7Confident0 Ų068.9 Ų68.90%043%0.426CS..Hα-helixtrans-64.2-43.9174.9-54.20000111.7Y54 L57 Y58 R70 A71 H72 K76 A77 T78Y54-T74 HydrophobicContact CD1-CG2 4.31Å; Y54-T74 HydrophobicContact CD2-CG2 3.8Å; Y54-T74 HydrophobicContact CE1-CG2 4.24Å; Y54-T74 HydrophobicContact CE2-CG2 3.73Å; Y54-T74 HydrophobicContact CG-CG2 4.1Å; Y54-T74 WeakPolarHBondContact O-CG2 3.35Å; L57-T74 HydrophobicContact CB-CG2 3.79Å; Y58-T74 HydrophobicContact CD2-CG2 4.03Å; Y58-T74 WeakPolarHBondContact CD2-OG1 3.44Å; Y58-T74 HydrophobicContact CG-CG2 4.43Å; R70-T74 WeakPolarHBondContact O-CB 3.35Å; R70-T74 PolarHBondContact O-N 3.24Å; R70-T74 PolarHBondContact O-OG1 3.2Å; A71-T74 PolarHBondContact O-N 3.31Å; H72-T74 VanDerWaalsContact C-N 3.34Å; H72-T74 PolarHBondContact O-N 3.28Å; T74-K76 VanDerWaalsContact C-N 3.3Å; T74-K76 PolarHBondContact O-N 3.47Å; T74-A77 PolarHBondContact O-N 2.72Å; T74-T78 WeakPolarHBondContact O-CB 3.19Å; T74-T78 PolarHBondContact O-N 3.36Å; T74-T78 PolarHBondContact O-OG1 3.4Å
75A91.5Very high85.8Confident40 Ų4066.7 Ų66.733%0.33142%0.417SS..Hα-helixtrans-59.3-44.317600000110.9Y54 A71 H72 T78 V79Y54-A75 HydrophobicContact CD2-CB 4.48Å; Y54-A75 HydrophobicContact CE2-CB 3.96Å; A71-A75 WeakPolarHBondContact O-CB 3.28Å; A71-A75 PolarHBondContact O-N 2.87Å; H72-A75 PolarHBondContact O-N 2.9Å; A75-T78 WeakPolarHBondContact O-CB 3.42Å; A75-T78 PolarHBondContact O-N 3.18Å; A75-V79 WeakPolarHBondContact O-CG2 3.33Å; A75-V79 PolarHBondContact O-N 3.05Å
76K92.6Very high84.5Confident151 Ų15168 Ų6866%0.65741%0.406SS*.Hα-helixtrans-63.5-42.4176.5-169.2176.4-177.3178.70112H72 A73 T74 T78 V79 A80H72-K76 PolarHBondContact O-N 2.82Å; A73-K76 PolarHBondContact O-N 2.81Å; T74-K76 VanDerWaalsContact C-N 3.3Å; T74-K76 PolarHBondContact O-N 3.47Å; K76-T78 VanDerWaalsContact C-N 3.34Å; K76-V79 PolarHBondContact O-N 3.14Å; K76-A80 VanDerWaalsContact O-CB 3.32Å; K76-A80 WeakPolarHBondContact O-CB 3.48Å; K76-A80 PolarHBondContact O-N 3.28Å
77A90.5Very high82.6Confident29 Ų2966.8 Ų66.824%0.2440%0.403CS..Hα-helixtrans-65-38.3175.500000112L57 L61 A73 T74 A80 A81L57-A77 HydrophobicContact CD1-CB 4.06Å; L61-A77 HydrophobicContact CD1-CB 3.89Å; A73-A77 WeakPolarHBondContact O-CB 3.38Å; A73-A77 PolarHBondContact O-N 2.75Å; T74-A77 PolarHBondContact O-N 2.72Å; A77-A80 PolarHBondContact O-N 2.78Å; A77-A81 VanDerWaalsContact O-CB 3.3Å; A77-A81 WeakPolarHBondContact O-CB 3.22Å; A77-A81 PolarHBondContact O-N 3.29Å
78T90.1Very high81Confident4 Ų467 Ų673%0.02539%0.392CS..Hα-helixtrans-61.6-51.8175.2-55.80000110I50 V53 Y54 T74 A75 K76 A80 A81 F82I50-T78 HydrophobicContact CG2-CG2 4.04Å; V53-T78 HydrophobicContact CB-CG2 4.36Å; V53-T78 HydrophobicContact CG1-CG2 4.03Å; Y54-T78 WeakPolarHBondContact CA-OG1 3.47Å; T74-T78 WeakPolarHBondContact O-CB 3.19Å; T74-T78 PolarHBondContact O-N 3.36Å; T74-T78 PolarHBondContact O-OG1 3.4Å; A75-T78 WeakPolarHBondContact O-CB 3.42Å; A75-T78 PolarHBondContact O-N 3.18Å; K76-T78 VanDerWaalsContact C-N 3.34Å; T78-A80 VanDerWaalsContact C-N 3.31Å; T78-A80 PolarHBondContact O-N 3.14Å; T78-A81 PolarHBondContact O-N 3.26Å; T78-F82 HydrophobicContact CG2-CD2 3.96Å; T78-F82 HydrophobicContact CG2-CE2 4.02Å; T78-F82 WeakPolarHBondContact O-CD2 3.37Å; T78-F82 PolarHBondContact O-N 2.87Å
79V87.8Confident79.9Confident92 Ų9261 Ų6156%0.55837%0.37SS*.Hα-helixtrans-58.6-44.8175.6173.60000110.5A75 K76 A81 F82 T83A75-V79 WeakPolarHBondContact O-CG2 3.33Å; A75-V79 PolarHBondContact O-N 3.05Å; K76-V79 PolarHBondContact O-N 3.14Å; V79-A81 PolarHBondContact O-N 3.36Å; V79-F82 PolarHBondContact O-N 3.14Å; V79-T83 HydrophobicContact CG1-CG2 4.16Å; V79-T83 WeakPolarHBondContact O-CB 3.49Å; V79-T83 VanDerWaalsContact O-CG2 3.27Å; V79-T83 WeakPolarHBondContact O-CG2 3.32Å; V79-T83 PolarHBondContact O-N 3.33Å; V79-T83 PolarHBondContact O-OG1 2.99Å; V79-T83 VanDerWaalsContact O-OG1 3.1Å
80A84.4Confident79.4Confident48 Ų4863.4 Ų63.440%0.39738%0.376SS..Hα-helixtrans-59.4-46176.500000111.8K76 A77 T78 F82 T83 A84K76-A80 VanDerWaalsContact O-CB 3.32Å; K76-A80 WeakPolarHBondContact O-CB 3.48Å; K76-A80 PolarHBondContact O-N 3.28Å; A77-A80 PolarHBondContact O-N 2.78Å; T78-A80 VanDerWaalsContact C-N 3.31Å; T78-A80 PolarHBondContact O-N 3.14Å; A80-F82 PolarHBondContact O-N 2.94Å; A80-T83 WeakPolarHBondContact CA-OG1 3.31Å; A80-T83 PolarHBondContact O-N 2.83Å; A80-T83 PolarHBondContact O-OG1 3.32Å; A80-A84 WeakPolarHBondContact O-CB 3.38Å; A80-A84 PolarHBondContact O-N 2.78Å
81A82.8Confident79.3Confident39 Ų3962.2 Ų62.232%0.32238%0.38SS..Hα-helixtrans-61.9-41.5177.800000111.9V53 L57 A77 T78 V79 A84 S85V53-A81 HydrophobicContact CG1-CB 4.46Å; L57-A81 HydrophobicContact CD1-CB 4.46Å; A77-A81 VanDerWaalsContact O-CB 3.3Å; A77-A81 WeakPolarHBondContact O-CB 3.22Å; A77-A81 PolarHBondContact O-N 3.29Å; T78-A81 PolarHBondContact O-N 3.26Å; V79-A81 PolarHBondContact O-N 3.36Å; A81-A84 PolarHBondContact O-N 2.82Å; A81-S85 VanDerWaalsContact O-CB 3.24Å; A81-S85 WeakPolarHBondContact O-CB 3.45Å; A81-S85 PolarHBondContact O-N 3.3Å; A81-S85 PolarHBondContact O-OG 2.86Å
82F77.7Confident79.4Confident39 Ų3963.5 Ų63.517%0.17138%0.379CS..Hα-helixtrans-67.1-46.4173.4-87.1-82.4000112.3I50 V53 T78 V79 A80 A84 S85 E86I50-F82 HydrophobicContact CB-CE2 4.08Å; I50-F82 HydrophobicContact CB-CZ 4.2Å; I50-F82 HydrophobicContact CG1-CD1 4.44Å; I50-F82 HydrophobicContact CG1-CD2 4.08Å; I50-F82 HydrophobicContact CG1-CE1 3.98Å; I50-F82 HydrophobicContact CG1-CE2 3.59Å; I50-F82 HydrophobicContact CG1-CG 4.49Å; I50-F82 HydrophobicContact CG1-CZ 3.53Å; I50-F82 HydrophobicContact CG2-CE2 4.47Å; V53-F82 HydrophobicContact CB-CE2 3.71Å; V53-F82 HydrophobicContact CB-CZ 4.29Å; V53-F82 HydrophobicContact CG1-CD2 4.45Å; V53-F82 HydrophobicContact CG1-CE2 3.93Å; V53-F82 HydrophobicContact CG2-CE2 3.71Å; V53-F82 HydrophobicContact CG2-CZ 3.81Å; T78-F82 HydrophobicContact CG2-CD2 3.96Å; T78-F82 HydrophobicContact CG2-CE2 4.02Å; T78-F82 WeakPolarHBondContact O-CD2 3.37Å; T78-F82 PolarHBondContact O-N 2.87Å; V79-F82 PolarHBondContact O-N 3.14Å; A80-F82 PolarHBondContact O-N 2.94Å; F82-A84 PolarHBondContact O-N 2.81Å; F82-S85 WeakPolarHBondContact CA-OG 3.38Å; F82-S85 PolarHBondContact O-N 2.92Å; F82-S85 PolarHBondContact O-OG 2.81Å; F82-S85 VanDerWaalsContact O-OG 3.08Å; F82-E86 VanDerWaalsContact O-CB 3.25Å; F82-E86 WeakPolarHBondContact O-CB 3.41Å; F82-E86 WeakPolarHBondContact O-CG 3.37Å; F82-E86 PolarHBondContact O-N 2.78Å
83T72.7Confident79.5Confident72 Ų7261.2 Ų61.244%0.44237%0.374SS..Hα-helixtrans-62.2-31.6176.658.70000112.2V79 A80 G87V79-T83 HydrophobicContact CG1-CG2 4.16Å; V79-T83 WeakPolarHBondContact O-CB 3.49Å; V79-T83 VanDerWaalsContact O-CG2 3.27Å; V79-T83 WeakPolarHBondContact O-CG2 3.32Å; V79-T83 PolarHBondContact O-N 3.33Å; V79-T83 PolarHBondContact O-OG1 2.99Å; V79-T83 VanDerWaalsContact O-OG1 3.1Å; A80-T83 WeakPolarHBondContact CA-OG1 3.31Å; A80-T83 PolarHBondContact O-N 2.83Å; A80-T83 PolarHBondContact O-OG1 3.32Å; T83-G87 WeakPolarHBondContact O-CA 3.48Å; T83-G87 PolarHBondContact O-N 2.7Å; T83-G87 VanDerWaalsContact O-N 3.11Å
84A71.1Confident79.7Confident71 Ų7159.8 Ų59.859%0.58736%0.362SS*.Hα-helixtrans-78.4-36.1175.600000112.7A80 A81 F82 G87A80-A84 WeakPolarHBondContact O-CB 3.38Å; A80-A84 PolarHBondContact O-N 2.78Å; A81-A84 PolarHBondContact O-N 2.82Å; F82-A84 PolarHBondContact O-N 2.81Å; A84-G87 WeakPolarHBondContact O-CA 3.48Å; A84-G87 PolarHBondContact O-N 2.89Å
85S66.7Low79.9Confident92 Ų9264.9 Ų64.964%0.64339%0.385SS*.Hα-helixtrans-74.8-36.5176.973.50000111.9A81 F82 G87A81-S85 VanDerWaalsContact O-CB 3.24Å; A81-S85 WeakPolarHBondContact O-CB 3.45Å; A81-S85 PolarHBondContact O-N 3.3Å; A81-S85 PolarHBondContact O-OG 2.86Å; F82-S85 WeakPolarHBondContact CA-OG 3.38Å; F82-S85 PolarHBondContact O-N 2.92Å; F82-S85 PolarHBondContact O-OG 2.81Å; F82-S85 VanDerWaalsContact O-OG 3.08Å; S85-G87 PolarHBondContact O-N 2.78Å
86E59.8Low80.1Confident91 Ų9163 Ų6343%0.42537%0.37SS..SBendtrans-71.6-4.6164-67.7-163.816200112.5F82 H88 A89F82-E86 VanDerWaalsContact O-CB 3.25Å; F82-E86 WeakPolarHBondContact O-CB 3.41Å; F82-E86 WeakPolarHBondContact O-CG 3.37Å; F82-E86 PolarHBondContact O-N 2.78Å; E86-H88 PolarHBondContact O-N 2.83Å; E86-A89 HydrophobicContact CB-CB 4.34Å; E86-A89 WeakPolarHBondContact O-CB 3.5Å; E86-A89 PolarHBondContact O-N 2.77Å
87G50.2Low80.1Confident35 Ų3559 Ų5936%0.36136%0.359SS..THydrogen-bonded Turntrans-7-17.6-166.900000122.5T83 A84 S85T83-G87 WeakPolarHBondContact O-CA 3.48Å; T83-G87 PolarHBondContact O-N 2.7Å; T83-G87 VanDerWaalsContact O-N 3.11Å; A84-G87 WeakPolarHBondContact O-CA 3.48Å; A84-G87 PolarHBondContact O-N 2.89Å; S85-G87 PolarHBondContact O-N 2.78Å
88H54.7Low80Confident71 Ų7160.5 Ų60.533%0.32936%0.36SS..THydrogen-bonded Turntrans-151.914.6-177.2-5773.5000112.7E86 H90 K135 Y173E86-H88 PolarHBondContact O-N 2.83Å; H88-H90 PolarHBondContact O-N 3.35Å; H88-K135 PolarHBondContact NE2-NZ 3.04Å; H88-Y173 HydrophobicContact CB-CD1 3.5Å; H88-Y173 VanDerWaalsContact CB-CD1 3.5Å; H88-Y173 HydrophobicContact CB-CG 3.58Å; H88-Y173 AromaticContact CG-CD1 3.95Å; H88-Y173 WeakPolarHBondContact O-CB 3.35Å; H88-Y173 PolarHBondContact O-N 2.98Å
89A65.7Low79.9Confident35 Ų3562.6 Ų62.629%0.28937%0.373SS..  trans-74.3-7.5178.600000114.1E86 R172E86-A89 HydrophobicContact CB-CB 4.34Å; E86-A89 WeakPolarHBondContact O-CB 3.5Å; E86-A89 PolarHBondContact O-N 2.77Å; A89-R172 WeakPolarHBondContact O-CD 3.47Å; A89-R172 WeakPolarHBondContact O-CG 3.3Å; A89-R172 PolarHBondContact O-NE 3.02Å
90H77.6Confident79.8Confident128 Ų12866.8 Ų66.859%0.59339%0.393SS*.SBendtrans-82.4135.6171.3-70.182000110H88 R92H88-H90 PolarHBondContact O-N 3.35Å; H90-R92 PolarHBondContact O-N 3.3Å
91P87.8Confident79.8Confident69 Ų6971.9 Ų71.945%0.44841%0.408SS..  trans-52.1125.9171.9-27.135.9000111.4L141 V170 V171P91-L141 HydrophobicContact CB-CD1 3.88Å; P91-L141 HydrophobicContact CG-CD1 3.82Å; P91-V170 HydrophobicContact CB-CG1 3.88Å; P91-V171 CarbonylContact C-O 3.15Å; P91-V171 WeakPolarHBondContact CA-O 3.24Å
92R90.4Very high80.1Confident56 Ų5671 Ų7121%0.21140%0.403CS..EExtended strand (participates in β ladder)trans-116.9148.9172.566.4173.5179.6-92.3-0.2110.6H90 V94 G133 D138 V170 V171H90-R92 PolarHBondContact O-N 3.3Å; R92-V94 HydrophobicContact CG-CG2 4.26Å; R92-G133 PolarHBondContact NE-O 3.06Å; R92-G133 PolarHBondContact NH2-O 2.58Å; R92-D138 IonicContact CZ-OD1 3.21Å; R92-D138 IonicContact CZ-OD2 2.85Å; R92-D138 IonicContact NH1-OD1 3.47Å; R92-D138 IonicContact NH2-OD1 3.9Å; R92-D138 PolarHBondContact NH2-OD1 3.21Å; R92-D138 IonicContact NH2-OD2 3.65Å; R92-D138 PolarHBondContact NH2-OD2 2.93Å; R92-V170 CarbonylContact O-C 3.54Å; R92-V170 WeakPolarHBondContact O-CA 3.44Å; R92-V171 HydrophobicContact CG-CG2 3.6Å; R92-V171 PolarHBondContact N-O 2.99Å; R92-V171 PolarHBondContact O-N 3.33Å
93V93.9Very high80.9Confident88 Ų8869.8 Ų69.853%0.53340%0.398SS..EExtended strand (participates in β ladder)trans-91.6130.1173.7-178.10000108.6K168 L169 V170V93-K168 HydrophobicContact CG1-CD 4.19Å; V93-K168 VanDerWaalsContact CG1-CE 3.44Å; V93-K168 HydrophobicContact CG1-CG 3.67Å; V93-L169 CarbonylContact C-O 3.59Å; V93-L169 VanDerWaalsContact CA-O 3.31Å; V93-L169 WeakPolarHBondContact CA-O 3.4Å; V93-V170 HydrophobicContact CG2-CG2 4.31Å
94V94.5Very high81.9Confident6 Ų666.9 Ų66.94%0.03638%0.382CS..EExtended strand (participates in β ladder)trans-125.8120.9173.4-175.20000107.9R92 L96 G133 L134 L169 V171R92-V94 HydrophobicContact CG-CG2 4.26Å; V94-L96 HydrophobicContact CG1-CD2 3.9Å; V94-L96 HydrophobicContact CG1-CG 4.04Å; V94-G133 WeakPolarHBondContact CG2-O 3.25Å; V94-L134 HydrophobicContact CB-CD2 4.25Å; V94-L134 HydrophobicContact CG1-CD2 4.3Å; V94-L134 HydrophobicContact CG1-CG 4.16Å; V94-L134 HydrophobicContact CG2-CD2 4.13Å; V94-L169 PolarHBondContact N-O 2.88Å; V94-L169 PolarHBondContact O-N 3.02Å; V94-V171 HydrophobicContact CG2-CG2 3.92Å
95E95.4Very high83.1Confident106 Ų10664.5 Ų64.550%0.49536%0.359SS..EExtended strand (participates in β ladder)trans-105115.3176.2-171.8166.5-178.200109.5H131 S166 V167E95-H131 PolarHBondContact O-CD2 3.08Å; E95-H131 PolarHBondContact O-NE2 3.08Å; E95-H131 VanDerWaalsContact O-NE2 3.14Å; E95-S166 WeakPolarHBondContact OE1-CB 3.49Å; E95-S166 PolarHBondContact OE1-OG 2.92Å; E95-V167 CarbonylContact C-O 3.55Å; E95-V167 WeakPolarHBondContact CA-O 3.29Å
96L94.9Very high84.5Confident0 Ų063.7 Ų63.70%035%0.348CS..EExtended strand (participates in β ladder)trans-108.8136.7-179.7-62.5178.8000110.3V94 L103 F105 A128 H131 L134 S166 V167 L169V94-L96 HydrophobicContact CG1-CD2 3.9Å; V94-L96 HydrophobicContact CG1-CG 4.04Å; L96-L103 HydrophobicContact CB-CD2 4.29Å; L96-F105 HydrophobicContact CD1-CD1 4.3Å; L96-F105 HydrophobicContact CD1-CE1 3.94Å; L96-A128 HydrophobicContact CD1-CB 4Å; L96-H131 HydrophobicContact CD2-CB 3.53Å; L96-H131 VanDerWaalsContact CD2-CG 3.43Å; L96-L134 HydrophobicContact CD1-CD1 3.52Å; L96-L134 HydrophobicContact CD1-CG 4.16Å; L96-S166 CarbonylContact O-C 3.53Å; L96-S166 VanDerWaalsContact O-CA 3.31Å; L96-S166 WeakPolarHBondContact O-CA 3.46Å; L96-V167 HydrophobicContact CB-CG1 3.91Å; L96-V167 PolarHBondContact N-O 3.11Å; L96-V167 PolarHBondContact O-N 3.31Å; L96-L169 HydrophobicContact CD1-CD1 4.06Å
97P93.3Very high86.2Confident67 Ų6760.6 Ų60.644%0.43533%0.333SS..EExtended strand (participates in β ladder)trans-67.2138.2170.728.4-32.4000109.8V127P97-V127 HydrophobicContact CG-CG1 3.79Å; P97-V127 WeakPolarHBondContact O-CG1 3.26Å
98K89.4Confident88.2Confident61 Ų6160.6 Ų60.627%0.26532%0.324SS..  trans-85.1117.6172.3-172.573.7174.4-171.30108.4L103 L160 G165K98-L103 HydrophobicContact CD-CD2 3.8Å; K98-L103 HydrophobicContact CD-CG 4.13Å; K98-L160 PolarHBondContact NZ-O 3.24Å; K98-G165 PolarHBondContact N-O 3.02Å
99T87.7Confident90.1Very high48 Ų4857.2 Ų57.229%0.29431%0.309SS..  trans-111.1168.2174.568.40000110.8E101 G102 V127T99-E101 PolarHBondContact O-N 3.08Å; T99-E101 PolarHBondContact OG1-N 3.24Å; T99-G102 PolarHBondContact O-N 3.21Å; T99-G102 PolarHBondContact OG1-O 3.4Å; T99-G102 VanDerWaalsContact OG1-O 3.1Å; T99-V127 HydrophobicContact CG2-CG2 3.73Å; T99-V127 WeakPolarHBondContact OG1-CG2 3.4Å
100D84.6Confident91.4Very high181 Ų18155.5 Ų55.597%0.96830%0.295SS*.THydrogen-bonded Turntrans-63.3-25.6175.6-60.4-36000112.7G102D100-G102 PolarHBondContact O-N 2.79Å
101E84.8Confident92.1Very high154 Ų15454.9 Ų54.972%0.7229%0.291SS*.THydrogen-bonded Turntrans-74.2-7.9173.1-59.6178.7165.500112.9T99 R130T99-E101 PolarHBondContact O-N 3.08Å; T99-E101 PolarHBondContact OG1-N 3.24Å; E101-R130 IonicContact OE2-NH1 3.51Å
102G89.9Confident92.3Very high21 Ų2156.1 Ų56.122%0.21629%0.29CS..  trans84.7-165.5-173.300000113.4T99 D100 V127T99-G102 PolarHBondContact O-N 3.21Å; T99-G102 PolarHBondContact OG1-O 3.4Å; T99-G102 VanDerWaalsContact OG1-O 3.1Å; D100-G102 PolarHBondContact O-N 2.79Å; G102-V127 WeakPolarHBondContact O-CG2 3.37Å
103L93.8Very high92.2Very high13 Ų1356.6 Ų56.67%0.06830%0.295CS..  trans-88-11.8-173.2-61.1170.5000113.8L96 K98 F105 A128 L160 V167L96-L103 HydrophobicContact CB-CD2 4.29Å; K98-L103 HydrophobicContact CD-CD2 3.8Å; K98-L103 HydrophobicContact CD-CG 4.13Å; L103-F105 HydrophobicContact CB-CD1 3.69Å; L103-F105 HydrophobicContact CB-CE1 3.39Å; L103-F105 HydrophobicContact CB-CZ 4.25Å; L103-F105 HydrophobicContact CD1-CE1 3.72Å; L103-F105 HydrophobicContact CD1-CZ 3.86Å; L103-F105 HydrophobicContact CG-CE1 4.16Å; L103-A128 VanDerWaalsContact O-CB 3.24Å; L103-A128 WeakPolarHBondContact O-CB 3.1Å; L103-A128 PolarHBondContact O-N 2.9Å; L103-L160 HydrophobicContact CD1-CB 4.26Å; L103-L160 HydrophobicContact CD1-CD2 3.89Å; L103-V167 HydrophobicContact CD1-CG1 3.83Å; L103-V167 HydrophobicContact CD2-CG1 3.46Å; L103-V167 VanDerWaalsContact CD2-CG1 3.46Å; L103-V167 HydrophobicContact CG-CG1 4.3Å
104G94.5Very high91.9Very high11 Ų1160 Ų6011%0.11331%0.31CS..SBendtrans75.327.8177.500000115.3I123G104-I123 WeakPolarHBondContact O-CB 3.46Å; G104-I123 PolarHBondContact O-N 3.1Å
105F96.3Very high91.6Very high22 Ų2260.8 Ų60.810%0.09632%0.316CS..EExtended strand (participates in β ladder)trans-146.2158.5173.367.3-96.1000112.1L96 L103 I107 I119 R121 A128 L134 L160 L169L96-F105 HydrophobicContact CD1-CD1 4.3Å; L96-F105 HydrophobicContact CD1-CE1 3.94Å; L103-F105 HydrophobicContact CB-CD1 3.69Å; L103-F105 HydrophobicContact CB-CE1 3.39Å; L103-F105 HydrophobicContact CB-CZ 4.25Å; L103-F105 HydrophobicContact CD1-CE1 3.72Å; L103-F105 HydrophobicContact CD1-CZ 3.86Å; L103-F105 HydrophobicContact CG-CE1 4.16Å; F105-I107 HydrophobicContact CD2-CG2 4.04Å; F105-I107 HydrophobicContact CE2-CG2 3.78Å; F105-I119 HydrophobicContact CB-CG2 4.09Å; F105-I119 HydrophobicContact CD2-CD1 3.58Å; F105-I119 HydrophobicContact CD2-CG2 4.32Å; F105-I119 HydrophobicContact CE2-CD1 3.56Å; F105-I119 HydrophobicContact CG-CD1 4.43Å; F105-I119 HydrophobicContact CG-CG2 4.47Å; F105-I119 HydrophobicContact CZ-CD1 4.39Å; F105-R121 CarbonylContact C-O 3.5Å; F105-R121 VanDerWaalsContact CA-O 3.23Å; F105-R121 WeakPolarHBondContact CA-O 3.24Å; F105-R121 WeakPolarHBondContact CB-O 3.2Å; F105-A128 HydrophobicContact CB-CB 4.28Å; F105-A128 HydrophobicContact CD1-CB 3.88Å; F105-L134 HydrophobicContact CD1-CD1 3.58Å; F105-L134 HydrophobicContact CE1-CD1 3.64Å; F105-L134 HydrophobicContact CG-CD1 4.12Å; F105-L134 HydrophobicContact CZ-CD1 4.26Å; F105-L160 HydrophobicContact CE2-CD1 3.99Å; F105-L160 HydrophobicContact CZ-CD1 4.12Å; F105-L160 HydrophobicContact CZ-CD2 3.94Å; F105-L169 HydrophobicContact CE1-CD1 4.06Å; F105-L169 HydrophobicContact CZ-CD1 3.96Å
106N95.3Very high91.5Very high75 Ų7558 Ų5840%0.40131%0.307SS..EExtended strand (participates in β ladder)trans-113.3141.3176.6-64.7-10.6000110.4I119 S120 R121N106-I119 CarbonylContact O-C 3.43Å; N106-S120 VanDerWaalsContact C-OG 3.3Å; N106-S120 VanDerWaalsContact CB-OG 3.31Å; N106-S120 WeakPolarHBondContact CB-OG 3.45Å; N106-S120 PolarHBondContact O-N 3.28Å; N106-S120 PolarHBondContact O-OG 2.82Å; N106-R121 HydrophobicContact CB-CB 4.2Å; N106-R121 PolarHBondContact N-O 3.44Å; N106-R121 PolarHBondContact O-N 3.23Å
107I95.4Very high91.5Very high25 Ų2558.2 Ų58.213%0.12831%0.308CS..EExtended strand (participates in β ladder)trans-104.5154.4172.652.7164.9000112.2F105 I117 Y118 I119 H153 A156 V157 L160F105-I107 HydrophobicContact CD2-CG2 4.04Å; F105-I107 HydrophobicContact CE2-CG2 3.78Å; I107-I117 HydrophobicContact CB-CG2 4.01Å; I107-I117 HydrophobicContact CD1-CG2 3.99Å; I107-I117 HydrophobicContact CG2-CG2 4.24Å; I107-Y118 CarbonylContact C-O 3.59Å; I107-Y118 WeakPolarHBondContact CA-O 3.39Å; I107-I119 HydrophobicContact CG2-CD1 3.66Å; I107-H153 PolarHBondContact O-CE1 3.03Å; I107-A156 HydrophobicContact CD1-CB 3.93Å; I107-V157 HydrophobicContact CD1-CG2 3.8Å; I107-V157 HydrophobicContact CG1-CG2 4.42Å; I107-L160 HydrophobicContact CD1-CD1 4.09Å; I107-L160 HydrophobicContact CG2-CD1 4.49Å
108M93.3Very high91.6Very high35 Ų3555.2 Ų55.217%0.17229%0.288CS..EExtended strand (participates in β ladder)trans-137.6171.7170.873.7162.671.300110.9I117 Y118 L178 M181 E182M108-I117 CarbonylContact O-C 3.57Å; M108-I117 WeakPolarHBondContact O-CA 3.09Å; M108-Y118 PolarHBondContact N-O 2.8Å; M108-Y118 PolarHBondContact O-N 2.97Å; M108-L178 HydrophobicContact CE-CD1 3.75Å; M108-L178 HydrophobicContact CG-CD1 3.86Å; M108-L178 HydrophobicContact SD-CD1 3.35Å; M108-L178 WeakPolarHBondContact SD-CD1 3.46Å; M108-M181 HydrophobicContact SD-CE 4.46Å; M108-E182 HydrophobicContact CE-CG 3.66Å; M108-E182 WeakPolarHBondContact CE-OE1 3.32Å; M108-E182 HydrophobicContact SD-CG 4.08Å
109G93.3Very high91.9Very high0 Ų052.3 Ų52.30%028%0.276CS..EExtended strand (participates in β ladder)trans77.4-169.7-17400000111.9Q113 H153G109-Q113 PolarHBondContact O-NE2 3.43Å; G109-H153 WeakPolarHBondContact O-CB 3.42Å; G109-H153 PolarHBondContact O-ND1 3.11Å
110G93.3Very high92.2Very high0 Ų051 Ų510%027%0.268CS..EExtended strand (participates in β ladder)trans134.3158.7-16700000110.8E112 Q113 N114 S115G110-E112 PolarHBondContact O-N 3.24Å; G110-Q113 CarbonylContact O-C 3.52Å; G110-Q113 WeakPolarHBondContact O-CA 3.16Å; G110-Q113 PolarHBondContact O-N 3.47Å; G110-N114 PolarHBondContact O-N 3.48Å; G110-S115 CarbonylContact C-O 3.52Å; G110-S115 WeakPolarHBondContact CA-O 3.37Å; G110-S115 PolarHBondContact N-O 2.8Å; G110-S115 PolarHBondContact O-N 3.44Å
111K92.9Very high92.7Very high115 Ų11549.2 Ų49.250%0.525%0.248SC..G310 helixtrans-52.7-38179.8-170.8-177.5-172.5172.40113.1Q113 N114 G150 E151K111-Q113 PolarHBondContact O-N 3.27Å; K111-N114 PolarHBondContact O-N 3.26Å; K111-G150 WeakPolarHBondContact CD-O 3.29Å; K111-E151 WeakPolarHBondContact CB-O 3.49Å; K111-E151 PolarHBondContact N-O 2.88Å
112E90.9Very high93.2Very high94 Ų9443.1 Ų43.144%0.43922%0.221SC..G310 helixtrans-66.1-19.9178.773.1-63.3150.400113.7G110 H152 H153G110-E112 PolarHBondContact O-N 3.24Å; E112-H152 IonicContact OE2-ND1 3.75Å; E112-H153 VanDerWaalsContact OE1-CB 3.23Å; E112-H153 WeakPolarHBondContact OE1-CB 3.47Å; E112-H153 PolarHBondContact OE2-N 3.03Å; E112-H153 VanDerWaalsContact OE2-N 3.1Å
113Q88.3Confident93.4Very high67 Ų6745.4 Ų45.431%0.31323%0.228SC..G310 helixtrans-99.69.1173.5-66.2164.858.700112.1G109 G110 K111 S115 F185G109-Q113 PolarHBondContact O-NE2 3.43Å; G110-Q113 CarbonylContact O-C 3.52Å; G110-Q113 WeakPolarHBondContact O-CA 3.16Å; G110-Q113 PolarHBondContact O-N 3.47Å; K111-Q113 PolarHBondContact O-N 3.27Å; Q113-S115 PolarHBondContact O-N 3.48Å; Q113-S115 VanDerWaalsContact O-N 3.11Å; Q113-S115 PolarHBondContact O-OG 3.15Å; Q113-F185 HydrophobicContact CB-CZ 4.24Å; Q113-F185 HydrophobicContact CG-CZ 4.05Å
114N88.2Confident93.4Very high158 Ų15849.4 Ų49.485%0.84525%0.254SS*.THydrogen-bonded Turntrans46.637.9-171.5-70.4-38.3000112.6G110 K111G110-N114 PolarHBondContact O-N 3.48Å; K111-N114 PolarHBondContact O-N 3.26Å
115S89.2Confident93.3Very high23 Ų2351 Ų5116%0.16127%0.271CS..EExtended strand (participates in β ladder)trans-139.4143.5-172.7-59.80000110.9G110 Q113G110-S115 CarbonylContact C-O 3.52Å; G110-S115 WeakPolarHBondContact CA-O 3.37Å; G110-S115 PolarHBondContact N-O 2.8Å; G110-S115 PolarHBondContact O-N 3.44Å; Q113-S115 PolarHBondContact O-N 3.48Å; Q113-S115 VanDerWaalsContact O-N 3.11Å; Q113-S115 PolarHBondContact O-OG 3.15Å
116P91.9Very high93.1Very high49 Ų4950.5 Ų50.532%0.31827%0.271SS..EExtended strand (participates in β ladder)trans-61.1164.7171-16.328.5000111.9Y118 Q139P116-Y118 HydrophobicContact CB-CD2 4.32Å; P116-Y118 HydrophobicContact CB-CE2 3.67Å; P116-Y118 HydrophobicContact CG-CE2 4Å; P116-Y118 WeakPolarHBondContact O-CD2 3.22Å; P116-Q139 HydrophobicContact CB-CG 4.13Å
117I95.8Very high93.1Very high3 Ų347.2 Ų47.22%0.01525%0.254CS..EExtended strand (participates in β ladder)trans-87.6125.6-179.4-57.9177.9000109.2I107 M108 Q139 L140 V148 A156I107-I117 HydrophobicContact CB-CG2 4.01Å; I107-I117 HydrophobicContact CD1-CG2 3.99Å; I107-I117 HydrophobicContact CG2-CG2 4.24Å; M108-I117 CarbonylContact O-C 3.57Å; M108-I117 WeakPolarHBondContact O-CA 3.09Å; I117-Q139 CarbonylContact O-C 3.5Å; I117-Q139 WeakPolarHBondContact O-CA 3.31Å; I117-L140 HydrophobicContact CB-CB 4.49Å; I117-L140 HydrophobicContact CG2-CB 4.21Å; I117-L140 HydrophobicContact CG2-CD2 4.26Å; I117-L140 PolarHBondContact O-N 3.3Å; I117-V148 HydrophobicContact CD1-CB 4.31Å; I117-V148 HydrophobicContact CD1-CG2 4.48Å; I117-A156 HydrophobicContact CD1-CB 3.47Å; I117-A156 VanDerWaalsContact CD1-CB 3.47Å; I117-A156 HydrophobicContact CG2-CB 4.35Å
118Y95Very high93Very high5 Ų546 Ų462%0.0225%0.248CC..EExtended strand (participates in β ladder)trans-124.5147.7-177.3-76.7-89.8000112.4I107 M108 P116 S120 D138 Q139 V177 L178 M181I107-Y118 CarbonylContact C-O 3.59Å; I107-Y118 WeakPolarHBondContact CA-O 3.39Å; M108-Y118 PolarHBondContact N-O 2.8Å; M108-Y118 PolarHBondContact O-N 2.97Å; P116-Y118 HydrophobicContact CB-CD2 4.32Å; P116-Y118 HydrophobicContact CB-CE2 3.67Å; P116-Y118 HydrophobicContact CG-CE2 4Å; P116-Y118 WeakPolarHBondContact O-CD2 3.22Å; Y118-S120 PolarHBondContact O-N 3.46Å; Y118-S120 VanDerWaalsContact O-N 3.14Å; Y118-D138 CarbonylContact C-O 3.52Å; Y118-D138 WeakPolarHBondContact CA-O 3.33Å; Y118-Q139 HydrophobicContact CD1-CB 3.92Å; Y118-Q139 HydrophobicContact CE1-CB 3.48Å; Y118-Q139 VanDerWaalsContact CE1-CB 3.48Å; Y118-Q139 HydrophobicContact CE1-CG 4.04Å; Y118-Q139 HydrophobicContact CE2-CG 4.37Å; Y118-V177 HydrophobicContact CE1-CB 4.43Å; Y118-V177 HydrophobicContact CE2-CG1 3.9Å; Y118-V177 VanDerWaalsContact OH-CG1 3.22Å; Y118-V177 WeakPolarHBondContact OH-CG1 3.43Å; Y118-L178 HydrophobicContact CD1-CB 4.34Å; Y118-L178 HydrophobicContact CG-CD1 4.36Å; Y118-M181 HydrophobicContact CD2-CE 4Å; Y118-M181 HydrophobicContact CD2-SD 3.59Å; Y118-M181 VanDerWaalsContact CD2-SD 3.59Å; Y118-M181 HydrophobicContact CE2-CE 4.49Å; Y118-M181 HydrophobicContact CE2-SD 3.57Å; Y118-M181 VanDerWaalsContact CE2-SD 3.57Å
119I95.7Very high93.1Very high0 Ų048.1 Ų48.10%026%0.26CS..EExtended strand (participates in β ladder)trans-71.1102164-49.7-49.9000108.4F105 N106 I107 V122 G137 D138F105-I119 HydrophobicContact CB-CG2 4.09Å; F105-I119 HydrophobicContact CD2-CD1 3.58Å; F105-I119 HydrophobicContact CD2-CG2 4.32Å; F105-I119 HydrophobicContact CE2-CD1 3.56Å; F105-I119 HydrophobicContact CG-CD1 4.43Å; F105-I119 HydrophobicContact CG-CG2 4.47Å; F105-I119 HydrophobicContact CZ-CD1 4.39Å; N106-I119 CarbonylContact O-C 3.43Å; I107-I119 HydrophobicContact CG2-CD1 3.66Å; I119-V122 HydrophobicContact CG2-CG2 4Å; I119-G137 PolarHBondContact O-N 2.91Å; I119-D138 HydrophobicContact CB-CB 4.19Å; I119-D138 HydrophobicContact CG1-CB 3.78Å; I119-D138 PolarHBondContact N-O 3.29Å
120S94.2Very high93.1Very high19 Ų1955.3 Ų55.313%0.13329%0.287CS..EExtended strand (participates in β ladder)trans-76-34.8179.760.40000113.3N106 Y118 R136N106-S120 VanDerWaalsContact C-OG 3.3Å; N106-S120 VanDerWaalsContact CB-OG 3.31Å; N106-S120 WeakPolarHBondContact CB-OG 3.45Å; N106-S120 PolarHBondContact O-N 3.28Å; N106-S120 PolarHBondContact O-OG 2.82Å; Y118-S120 PolarHBondContact O-N 3.46Å; Y118-S120 VanDerWaalsContact O-N 3.14Å; S120-R136 WeakPolarHBondContact O-CD 3.07Å; S120-R136 WeakPolarHBondContact O-CG 3.21Å
121R94.3Very high93Very high145 Ų14559.9 Ų59.955%0.54731%0.308SS..EExtended strand (participates in β ladder)trans-152.6135.2-175.3-175176.8-178.2-178.10.4109.6F105 N106F105-R121 CarbonylContact C-O 3.5Å; F105-R121 VanDerWaalsContact CA-O 3.23Å; F105-R121 WeakPolarHBondContact CA-O 3.24Å; F105-R121 WeakPolarHBondContact CB-O 3.2Å; N106-R121 HydrophobicContact CB-CB 4.2Å; N106-R121 PolarHBondContact N-O 3.44Å; N106-R121 PolarHBondContact O-N 3.23Å
122V95.2Very high92.9Very high25 Ų2556.9 Ų56.915%0.15231%0.31CS..EExtended strand (participates in β ladder)trans-99.8129.8162.9179.30000106.7I119 P124 A128 D129 L134I119-V122 HydrophobicContact CG2-CG2 4Å; V122-P124 WeakPolarHBondContact O-CD 3.17Å; V122-A128 HydrophobicContact CG1-CB 4.14Å; V122-D129 HydrophobicContact CG1-CB 3.78Å; V122-L134 HydrophobicContact CG2-CB 4.5Å
123I94.7Very high92.7Very high70 Ų7053.2 Ų53.236%0.35930%0.297SS..PPolyproline II helixtrans-81.6119.3-176.3-60.2176.7000107.9G104 G125 G126 D129G104-I123 WeakPolarHBondContact O-CB 3.46Å; G104-I123 PolarHBondContact O-N 3.1Å; I123-G125 PolarHBondContact O-N 2.91Å; I123-G126 PolarHBondContact O-N 3.42Å; I123-D129 WeakPolarHBondContact O-CB 3.36Å
124P94.4Very high92.9Very high97 Ų9750.3 Ų50.363%0.6328%0.284SS*.THydrogen-bonded Turntrans-55.7133.8179.5-25.935000112V122 G126 D129V122-P124 WeakPolarHBondContact O-CD 3.17Å; P124-G126 PolarHBondContact O-N 3.41Å; P124-D129 WeakPolarHBondContact CA-OD2 3.19Å
125G92.2Very high93.1Very high44 Ų4446.9 Ų46.945%0.45426%0.261SS..THydrogen-bonded Turntrans72.5-2.6-176.700000114.9I123 D129 R130I123-G125 PolarHBondContact O-N 2.91Å; G125-D129 PolarHBondContact N-OD2 3.49Å; G125-R130 PolarHBondContact O-NH1 2.96Å
126G92.6Very high93.3Very high11 Ų1152.3 Ų52.311%0.11328%0.278CS..SBendtrans-76.4174.8175.200000113.2I123 P124 A128 D129 R130I123-G126 PolarHBondContact O-N 3.42Å; P124-G126 PolarHBondContact O-N 3.41Å; G126-A128 PolarHBondContact O-N 2.77Å; G126-D129 PolarHBondContact O-N 3.31Å; G126-D129 VanDerWaalsContact O-N 3.16Å; G126-R130 WeakPolarHBondContact O-CG 3.37Å; G126-R130 PolarHBondContact O-N 3.42Å
127V94.1Very high93.2Very high7 Ų750 Ų504%0.04226%0.264CS..Hα-helixtrans-56.9-48.5-176.81780000112.7P97 T99 G102 D129 R130 H131P97-V127 HydrophobicContact CG-CG1 3.79Å; P97-V127 WeakPolarHBondContact O-CG1 3.26Å; T99-V127 HydrophobicContact CG2-CG2 3.73Å; T99-V127 WeakPolarHBondContact OG1-CG2 3.4Å; G102-V127 WeakPolarHBondContact O-CG2 3.37Å; V127-D129 VanDerWaalsContact C-N 3.31Å; V127-D129 PolarHBondContact O-N 3.47Å; V127-R130 PolarHBondContact O-N 3.25Å; V127-H131 WeakPolarHBondContact O-CB 3.09Å; V127-H131 PolarHBondContact O-N 3.15Å
128A94.6Very high93.1Very high0 Ų049.9 Ų49.90%026%0.263CS..Hα-helixtrans-62.2-36178.100000113.5L96 L103 F105 V122 G126 G132 L134L96-A128 HydrophobicContact CD1-CB 4Å; L103-A128 VanDerWaalsContact O-CB 3.24Å; L103-A128 WeakPolarHBondContact O-CB 3.1Å; L103-A128 PolarHBondContact O-N 2.9Å; F105-A128 HydrophobicContact CB-CB 4.28Å; F105-A128 HydrophobicContact CD1-CB 3.88Å; V122-A128 HydrophobicContact CG1-CB 4.14Å; G126-A128 PolarHBondContact O-N 2.77Å; A128-G132 PolarHBondContact O-N 2.69Å; A128-G132 VanDerWaalsContact O-N 3.17Å; A128-L134 HydrophobicContact CB-CB 4.34Å; A128-L134 HydrophobicContact CB-CD1 4.04Å
129D94.8Very high93.1Very high78 Ų7850.8 Ų50.842%0.41727%0.267SS..Hα-helixtrans-70-48.5177.7-167.450.2000111.1V122 I123 P124 G125 G126 V127 H131 G132V122-D129 HydrophobicContact CG1-CB 3.78Å; I123-D129 WeakPolarHBondContact O-CB 3.36Å; P124-D129 WeakPolarHBondContact CA-OD2 3.19Å; G125-D129 PolarHBondContact N-OD2 3.49Å; G126-D129 PolarHBondContact O-N 3.31Å; G126-D129 VanDerWaalsContact O-N 3.16Å; V127-D129 VanDerWaalsContact C-N 3.31Å; V127-D129 PolarHBondContact O-N 3.47Å; D129-H131 VanDerWaalsContact C-N 3.28Å; D129-H131 PolarHBondContact O-N 3.47Å; D129-G132 PolarHBondContact O-N 2.68Å
130R93.3Very high93.1Very high152 Ų15250.8 Ų50.857%0.57427%0.267SS*.Hα-helixtrans-61.8-34.1177.9-67.2-170.4-56.2-111.99.8112.9E101 G125 G126 V127E101-R130 IonicContact OE2-NH1 3.51Å; G125-R130 PolarHBondContact O-NH1 2.96Å; G126-R130 WeakPolarHBondContact O-CG 3.37Å; G126-R130 PolarHBondContact O-N 3.42Å; V127-R130 PolarHBondContact O-N 3.25Å
131H91.3Very high93.2Very high96 Ų9650.3 Ų50.344%0.44426%0.263SS..Hα-helixtrans-72.2-31.4174-175.4-65000112E95 L96 V127 D129 G133E95-H131 PolarHBondContact O-CD2 3.08Å; E95-H131 PolarHBondContact O-NE2 3.08Å; E95-H131 VanDerWaalsContact O-NE2 3.14Å; L96-H131 HydrophobicContact CD2-CB 3.53Å; L96-H131 VanDerWaalsContact CD2-CG 3.43Å; V127-H131 WeakPolarHBondContact O-CB 3.09Å; V127-H131 PolarHBondContact O-N 3.15Å; D129-H131 VanDerWaalsContact C-N 3.28Å; D129-H131 PolarHBondContact O-N 3.47Å; H131-G133 PolarHBondContact ND1-N 3.06Å; H131-G133 PolarHBondContact O-N 3.29Å; H131-G133 VanDerWaalsContact O-N 3.14Å
132G89.5Confident93.3Very high51 Ų5144.3 Ų44.353%0.52624%0.244SC..  trans68.76.8-179.900000115.6A128 D129A128-G132 PolarHBondContact O-N 2.69Å; A128-G132 VanDerWaalsContact O-N 3.17Å; D129-G132 PolarHBondContact O-N 2.68Å
133G88.3Confident93.4Very high17 Ų1743.2 Ų43.218%0.17524%0.237CC..  trans-86.3-22.8-177.300000114.2R92 V94 H131R92-G133 PolarHBondContact NE-O 3.06Å; R92-G133 PolarHBondContact NH2-O 2.58Å; V94-G133 WeakPolarHBondContact CG2-O 3.25Å; H131-G133 PolarHBondContact ND1-N 3.06Å; H131-G133 PolarHBondContact O-N 3.29Å; H131-G133 VanDerWaalsContact O-N 3.14Å
134L92.3Very high93.4Very high7 Ų743.6 Ų43.64%0.03724%0.239CC..  trans-106144.7177.2-71.8-174.3000111.2V94 L96 F105 V122 A128 L169 V171V94-L134 HydrophobicContact CB-CD2 4.25Å; V94-L134 HydrophobicContact CG1-CD2 4.3Å; V94-L134 HydrophobicContact CG1-CG 4.16Å; V94-L134 HydrophobicContact CG2-CD2 4.13Å; L96-L134 HydrophobicContact CD1-CD1 3.52Å; L96-L134 HydrophobicContact CD1-CG 4.16Å; F105-L134 HydrophobicContact CD1-CD1 3.58Å; F105-L134 HydrophobicContact CE1-CD1 3.64Å; F105-L134 HydrophobicContact CG-CD1 4.12Å; F105-L134 HydrophobicContact CZ-CD1 4.26Å; V122-L134 HydrophobicContact CG2-CB 4.5Å; A128-L134 HydrophobicContact CB-CB 4.34Å; A128-L134 HydrophobicContact CB-CD1 4.04Å; L134-L169 HydrophobicContact CD1-CD1 3.83Å; L134-L169 HydrophobicContact CD2-CD1 4.3Å; L134-V171 HydrophobicContact CD2-CB 4.47Å; L134-V171 HydrophobicContact CD2-CG1 3.79Å; L134-V171 HydrophobicContact CD2-CG2 4.03Å
135K91.6Very high93.4Very high86 Ų8642.1 Ų42.137%0.37424%0.242SC..  trans-132.8152.3176.1-62.8179.6-176.3176.10109.7H88 G137 D138 Y173H88-K135 PolarHBondContact NE2-NZ 3.04Å; K135-G137 PolarHBondContact O-N 2.94Å; K135-D138 PolarHBondContact N-OD2 2.9Å; K135-D138 WeakPolarHBondContact O-CB 3.37Å; K135-D138 VanDerWaalsContact O-CG 3.32Å; K135-D138 PolarHBondContact O-N 2.85Å; K135-Y173 HydrophobicContact CB-CD2 4.4Å; K135-Y173 HydrophobicContact CB-CE2 4.16Å
136R92.8Very high93.6Very high137 Ų13743.3 Ų43.352%0.51724%0.241SC..THydrogen-bonded Turntrans-55.6135164.7172.7177.4176.8-176.9-1.4109S120 Y173 L178 E182S120-R136 WeakPolarHBondContact O-CD 3.07Å; S120-R136 WeakPolarHBondContact O-CG 3.21Å; R136-Y173 WeakPolarHBondContact O-CE2 3.46Å; R136-L178 HydrophobicContact CG-CD2 3.58Å; R136-E182 IonicContact CZ-OE1 3.81Å; R136-E182 IonicContact CZ-OE2 3.99Å; R136-E182 IonicContact NE-OE1 2.78Å; R136-E182 VanDerWaalsContact NH2-CD 3.3Å; R136-E182 IonicContact NH2-OE1 2.75Å; R136-E182 PolarHBondContact NH2-OE1 3.36Å; R136-E182 IonicContact NH2-OE2 3.67Å; R136-E182 PolarHBondContact NH2-OE2 3.09Å
137G91.4Very high93.8Very high1 Ų145.8 Ų45.81%0.0126%0.256CS..THydrogen-bonded Turntrans94.4-1.9-177.600000114.3I119 K135 Q139 T174 L178I119-G137 PolarHBondContact O-N 2.91Å; K135-G137 PolarHBondContact O-N 2.94Å; G137-Q139 PolarHBondContact O-N 3.38Å; G137-T174 CarbonylContact O-C 3.57Å; G137-T174 VanDerWaalsContact O-C 3.27Å; G137-T174 PolarHBondContact O-N 3.3Å; G137-L178 VanDerWaalsContact CA-CD2 3.48Å; G137-L178 VanDerWaalsContact N-CD2 3.33Å
138D93.4Very high93.8Very high0 Ų045.5 Ų45.50%025%0.254CS..EExtended strand (participates in β ladder)trans-69.2125.4168.3-77-24.8000110.7R92 Y118 I119 K135 V171 R172 Y173R92-D138 IonicContact CZ-OD1 3.21Å; R92-D138 IonicContact CZ-OD2 2.85Å; R92-D138 IonicContact NH1-OD1 3.47Å; R92-D138 IonicContact NH2-OD1 3.9Å; R92-D138 PolarHBondContact NH2-OD1 3.21Å; R92-D138 IonicContact NH2-OD2 3.65Å; R92-D138 PolarHBondContact NH2-OD2 2.93Å; Y118-D138 CarbonylContact C-O 3.52Å; Y118-D138 WeakPolarHBondContact CA-O 3.33Å; I119-D138 HydrophobicContact CB-CB 4.19Å; I119-D138 HydrophobicContact CG1-CB 3.78Å; I119-D138 PolarHBondContact N-O 3.29Å; K135-D138 PolarHBondContact N-OD2 2.9Å; K135-D138 WeakPolarHBondContact O-CB 3.37Å; K135-D138 VanDerWaalsContact O-CG 3.32Å; K135-D138 PolarHBondContact O-N 2.85Å; D138-V171 HydrophobicContact CB-CB 4.1Å; D138-V171 HydrophobicContact CB-CG2 4.45Å; D138-R172 CarbonylContact C-O 3.59Å; D138-R172 WeakPolarHBondContact CA-O 3.4Å; D138-Y173 WeakPolarHBondContact OD1-CA 3.33Å; D138-Y173 WeakPolarHBondContact OD1-CB 3.32Å; D138-Y173 WeakPolarHBondContact OD1-CD2 3.14Å
139Q94.3Very high93.8Very high23 Ų2350.5 Ų50.511%0.10728%0.278CS..EExtended strand (participates in β ladder)trans-75.5129.2163.8-170.9-174.9-1500108.9P116 I117 Y118 G137 L141 V171 R172P116-Q139 HydrophobicContact CB-CG 4.13Å; I117-Q139 CarbonylContact O-C 3.5Å; I117-Q139 WeakPolarHBondContact O-CA 3.31Å; Y118-Q139 HydrophobicContact CD1-CB 3.92Å; Y118-Q139 HydrophobicContact CE1-CB 3.48Å; Y118-Q139 VanDerWaalsContact CE1-CB 3.48Å; Y118-Q139 HydrophobicContact CE1-CG 4.04Å; Y118-Q139 HydrophobicContact CE2-CG 4.37Å; G137-Q139 PolarHBondContact O-N 3.38Å; Q139-L141 HydrophobicContact CB-CD2 4.46Å; Q139-L141 HydrophobicContact CG-CD2 3.91Å; Q139-V171 CarbonylContact O-C 3.58Å; Q139-V171 WeakPolarHBondContact O-CA 3.36Å; Q139-V171 WeakPolarHBondContact O-CB 3.17Å; Q139-R172 HydrophobicContact CB-CB 4.44Å; Q139-R172 WeakPolarHBondContact CB-O 3.42Å; Q139-R172 PolarHBondContact N-O 3.45Å; Q139-R172 PolarHBondContact O-N 3.34Å
140L96.2Very high93.6Very high1 Ų149.2 Ų49.21%0.00528%0.283CS..EExtended strand (participates in β ladder)trans-84.4118.6172.4-175.462.7000109.5I117 V143 V148 A156 L160 L169 V171I117-L140 HydrophobicContact CB-CB 4.49Å; I117-L140 HydrophobicContact CG2-CB 4.21Å; I117-L140 HydrophobicContact CG2-CD2 4.26Å; I117-L140 PolarHBondContact O-N 3.3Å; L140-V143 HydrophobicContact CD1-CG2 4.14Å; L140-V143 HydrophobicContact CD2-CG2 3.83Å; L140-V143 HydrophobicContact CG-CG2 4.24Å; L140-V148 HydrophobicContact CB-CG2 4.37Å; L140-V148 HydrophobicContact CD2-CG2 4.07Å; L140-V148 HydrophobicContact CG-CG2 3.76Å; L140-V148 WeakPolarHBondContact O-CG2 3.32Å; L140-A156 HydrophobicContact CD2-CB 4.42Å; L140-L160 HydrophobicContact CD2-CD1 4.34Å; L140-L169 HydrophobicContact CD1-CB 4.2Å; L140-L169 HydrophobicContact CD1-CD2 4Å; L140-V171 HydrophobicContact CD1-CG1 4.02Å
141L95.6Very high93.7Very high9 Ų945.8 Ų45.85%0.04727%0.274CS..EExtended strand (participates in β ladder)trans-99.1-43.7-178.7-54.3-179000111.5P91 Q139 S147 V148 E149 V170 R172P91-L141 HydrophobicContact CB-CD1 3.88Å; P91-L141 HydrophobicContact CG-CD1 3.82Å; Q139-L141 HydrophobicContact CB-CD2 4.46Å; Q139-L141 HydrophobicContact CG-CD2 3.91Å; L141-S147 WeakPolarHBondContact O-CA 3.33Å; L141-S147 PolarHBondContact O-OG 3.29Å; L141-V148 PolarHBondContact O-N 3.4Å; L141-E149 HydrophobicContact CB-CG 4.34Å; L141-E149 HydrophobicContact CD2-CG 4.04Å; L141-V170 WeakPolarHBondContact CA-O 3.48Å; L141-V170 HydrophobicContact CB-CB 4.38Å; L141-V170 HydrophobicContact CB-CG1 4.3Å; L141-V170 WeakPolarHBondContact CB-O 3.27Å; L141-V170 HydrophobicContact CD1-CG1 4.15Å; L141-V170 PolarHBondContact N-O 3.39Å; L141-R172 HydrophobicContact CD1-CB 3.99Å; L141-R172 HydrophobicContact CG-CB 4.39Å
142S96.6Very high93.9Very high19 Ų1945.4 Ų45.413%0.13327%0.272CS..EExtended strand (participates in β ladder)trans-150.6156.7177.472.10000113.1V146 L169 V170S142-V146 CarbonylContact C-O 3.27Å; S142-V146 WeakPolarHBondContact CA-O 3.38Å; S142-V146 WeakPolarHBondContact CB-O 3.39Å; S142-L169 WeakPolarHBondContact O-CA 3.35Å; S142-V170 PolarHBondContact N-O 3.19Å; S142-V170 PolarHBondContact O-N 3.47Å; S142-V170 VanDerWaalsContact OG-CB 3.26Å; S142-V170 WeakPolarHBondContact OG-CB 3.36Å; S142-V170 WeakPolarHBondContact OG-CG2 3.3Å
143V97.2Very high94.2Very high1 Ų145.2 Ų45.21%0.00626%0.257CS..EExtended strand (participates in β ladder)trans-127.2119.9176.6-176.80000108L140 G145 V146 V148 L159 L160 V167 L169L140-V143 HydrophobicContact CD1-CG2 4.14Å; L140-V143 HydrophobicContact CD2-CG2 3.83Å; L140-V143 HydrophobicContact CG-CG2 4.24Å; V143-G145 PolarHBondContact O-N 2.87Å; V143-G145 VanDerWaalsContact O-N 3.14Å; V143-V146 PolarHBondContact N-O 2.79Å; V143-V146 WeakPolarHBondContact O-CB 3.23Å; V143-V146 PolarHBondContact O-N 3.14Å; V143-V148 HydrophobicContact CG2-CG1 4.17Å; V143-L159 HydrophobicContact CB-CB 3.98Å; V143-L159 HydrophobicContact CB-CD1 4.43Å; V143-L159 HydrophobicContact CG1-CB 3.88Å; V143-L159 HydrophobicContact CG2-CB 4.46Å; V143-L160 HydrophobicContact CG1-CD2 3.95Å; V143-L160 HydrophobicContact CG1-CG 4.46Å; V143-L160 HydrophobicContact CG2-CD2 3.93Å; V143-L160 HydrophobicContact CG2-CG 4.23Å; V143-V167 HydrophobicContact CG1-CG2 3.68Å; V143-L169 HydrophobicContact CB-CD2 4.44Å; V143-L169 HydrophobicContact CG1-CD2 4.16Å; V143-L169 HydrophobicContact CG2-CD2 4.01Å
144N95.2Very high94.5Very high78 Ų7851.2 Ų51.242%0.41728%0.281SS..THydrogen-bonded Turntrans50.436.8-177.5-68-16.7000113.6V146 K168N144-V146 VanDerWaalsContact C-N 3.29Å; N144-V146 PolarHBondContact O-N 2.77Å; N144-K168 PolarHBondContact N-O 2.92Å; N144-K168 PolarHBondContact OD1-N 3.29Å
145G94.3Very high94.7Very high67 Ų6754.9 Ų54.969%0.69130%0.296SS*.THydrogen-bonded Turntrans84.1-7.3-179.200000115.1V143V143-G145 PolarHBondContact O-N 2.87Å; V143-G145 VanDerWaalsContact O-N 3.14Å
146V96.5Very high94.8Very high69 Ų6950.8 Ų50.842%0.41828%0.279SS..EExtended strand (participates in β ladder)trans-87118.5173.5-1770000109S142 V143 N144 L159S142-V146 CarbonylContact C-O 3.27Å; S142-V146 WeakPolarHBondContact CA-O 3.38Å; S142-V146 WeakPolarHBondContact CB-O 3.39Å; V143-V146 PolarHBondContact N-O 2.79Å; V143-V146 WeakPolarHBondContact O-CB 3.23Å; V143-V146 PolarHBondContact O-N 3.14Å; N144-V146 VanDerWaalsContact C-N 3.29Å; N144-V146 PolarHBondContact O-N 2.77Å; V146-L159 HydrophobicContact CB-CD1 4.08Å; V146-L159 HydrophobicContact CB-CD2 4.34Å; V146-L159 HydrophobicContact CG1-CD1 3.82Å; V146-L159 HydrophobicContact CG1-CD2 4.38Å; V146-L159 HydrophobicContact CG2-CD2 4.37Å
147S95.6Very high95Very high62 Ų6246 Ų4643%0.43426%0.264SS..EExtended strand (participates in β ladder)trans-63.6138.1175-175.10000110.7L141 E149L141-S147 WeakPolarHBondContact O-CA 3.33Å; L141-S147 PolarHBondContact O-OG 3.29Å; S147-E149 PolarHBondContact OG-N 3.21Å
148V95.9Very high95.2Very high1 Ų151.2 Ų51.21%0.00629%0.288CS..  trans-115.910.9173.1-59.10000111.6I117 L140 L141 V143 G150 E151 A156 L159I117-V148 HydrophobicContact CD1-CB 4.31Å; I117-V148 HydrophobicContact CD1-CG2 4.48Å; L140-V148 HydrophobicContact CB-CG2 4.37Å; L140-V148 HydrophobicContact CD2-CG2 4.07Å; L140-V148 HydrophobicContact CG-CG2 3.76Å; L140-V148 WeakPolarHBondContact O-CG2 3.32Å; L141-V148 PolarHBondContact O-N 3.4Å; V143-V148 HydrophobicContact CG2-CG1 4.17Å; V148-G150 PolarHBondContact O-N 2.86Å; V148-E151 PolarHBondContact O-N 3.46Å; V148-A156 HydrophobicContact CB-CB 4.37Å; V148-A156 HydrophobicContact CG1-CB 4.21Å; V148-L159 HydrophobicContact CG1-CD1 3.6Å
149E93.4Very high95.3Very high105 Ų10552.7 Ų52.749%0.49130%0.296SS..THydrogen-bonded Turntrans-67.9121.1176.6-66.2-176.197.800110.4L141 S147 E151L141-E149 HydrophobicContact CB-CG 4.34Å; L141-E149 HydrophobicContact CD2-CG 4.04Å; S147-E149 PolarHBondContact OG-N 3.21Å; E149-E151 PolarHBondContact O-N 2.93Å
150G91.3Very high95.3Very high52 Ų5252.2 Ų52.254%0.53629%0.294SS..THydrogen-bonded Turntrans74.58.6-178.200000114.6K111 V148K111-G150 WeakPolarHBondContact CD-O 3.29Å; V148-G150 PolarHBondContact O-N 2.86Å
151E95.2Very high95.1Very high79 Ų7959.6 Ų59.637%0.36933%0.326SS..  trans-87.2164.8177.1-71.7-62.516000112.8K111 V148 E149 K155K111-E151 WeakPolarHBondContact CB-O 3.49Å; K111-E151 PolarHBondContact N-O 2.88Å; V148-E151 PolarHBondContact O-N 3.46Å; E149-E151 PolarHBondContact O-N 2.93Å; E151-K155 HydrophobicContact CB-CB 4.38Å; E151-K155 HydrophobicContact CB-CG 4.44Å
152H95.4Very high94.9Very high88 Ų8862.5 Ų62.541%0.40735%0.352SS..  trans-67148.1174.5-70.9-81.3000111.6E112 E154 K155E112-H152 IonicContact OE2-ND1 3.75Å; H152-E154 PolarHBondContact O-N 2.73Å; H152-K155 WeakPolarHBondContact O-CB 3.45Å; H152-K155 PolarHBondContact O-N 3.45Å
153H95.3Very high94.5Very high48 Ų4862 Ų6222%0.22235%0.349CS..Hα-helixtrans-51.1-45.8175.9-177.284.4000112.4I107 G109 E112 K155 A156 V157I107-H153 PolarHBondContact O-CE1 3.03Å; G109-H153 WeakPolarHBondContact O-CB 3.42Å; G109-H153 PolarHBondContact O-ND1 3.11Å; E112-H153 VanDerWaalsContact OE1-CB 3.23Å; E112-H153 WeakPolarHBondContact OE1-CB 3.47Å; E112-H153 PolarHBondContact OE2-N 3.03Å; E112-H153 VanDerWaalsContact OE2-N 3.1Å; H153-K155 VanDerWaalsContact C-N 3.27Å; H153-K155 PolarHBondContact O-N 3.37Å; H153-A156 PolarHBondContact O-N 3.2Å; H153-V157 WeakPolarHBondContact O-CG2 3.47Å; H153-V157 PolarHBondContact O-N 2.79Å; H153-V157 VanDerWaalsContact O-N 3.14Å
154E95.6Very high94.1Very high143 Ų14370.4 Ų70.467%0.66839%0.388SS*.Hα-helixtrans-58.4-38.6-179-64.5179.6169.800112.1H152 A156 V157 E158H152-E154 PolarHBondContact O-N 2.73Å; E154-A156 PolarHBondContact O-N 2.95Å; E154-V157 WeakPolarHBondContact O-CB 3.47Å; E154-V157 PolarHBondContact O-N 3.35Å; E154-V157 VanDerWaalsContact O-N 3.15Å; E154-E158 WeakPolarHBondContact O-CG 3.41Å; E154-E158 PolarHBondContact O-N 3.34Å
155K95Very high93.9Very high84 Ų8469.5 Ų69.537%0.36540%0.397SS..Hα-helixtrans-62.2-42.9179.4-175.560.2175.9-178.50112.1E151 H152 H153 E158 L159E151-K155 HydrophobicContact CB-CB 4.38Å; E151-K155 HydrophobicContact CB-CG 4.44Å; H152-K155 WeakPolarHBondContact O-CB 3.45Å; H152-K155 PolarHBondContact O-N 3.45Å; H153-K155 VanDerWaalsContact C-N 3.27Å; H153-K155 PolarHBondContact O-N 3.37Å; K155-E158 PolarHBondContact O-N 3.17Å; K155-L159 HydrophobicContact CG-CD1 4.39Å; K155-L159 WeakPolarHBondContact O-CG 3.37Å; K155-L159 PolarHBondContact O-N 2.87Å; K155-L159 VanDerWaalsContact O-N 3.07Å
156A95.5Very high93.9Very high0 Ų068.4 Ų68.40%038%0.379CS..Hα-helixtrans-66-40.3175.600000111.5I107 I117 L140 V148 H153 E154 E158 L159 L160I107-A156 HydrophobicContact CD1-CB 3.93Å; I117-A156 HydrophobicContact CD1-CB 3.47Å; I117-A156 VanDerWaalsContact CD1-CB 3.47Å; I117-A156 HydrophobicContact CG2-CB 4.35Å; L140-A156 HydrophobicContact CD2-CB 4.42Å; V148-A156 HydrophobicContact CB-CB 4.37Å; V148-A156 HydrophobicContact CG1-CB 4.21Å; H153-A156 PolarHBondContact O-N 3.2Å; E154-A156 PolarHBondContact O-N 2.95Å; A156-E158 PolarHBondContact O-N 3.07Å; A156-L159 PolarHBondContact O-N 2.97Å; A156-L160 WeakPolarHBondContact O-CB 3.27Å; A156-L160 WeakPolarHBondContact O-CG 3.42Å; A156-L160 PolarHBondContact O-N 3.28Å
157V95.6Very high93.8Very high36 Ų3665.1 Ų65.122%0.21836%0.359CS..Hα-helixtrans-60.2-45.2175.4175.90000111.2I107 H153 E154 L160 K161I107-V157 HydrophobicContact CD1-CG2 3.8Å; I107-V157 HydrophobicContact CG1-CG2 4.42Å; H153-V157 WeakPolarHBondContact O-CG2 3.47Å; H153-V157 PolarHBondContact O-N 2.79Å; H153-V157 VanDerWaalsContact O-N 3.14Å; E154-V157 WeakPolarHBondContact O-CB 3.47Å; E154-V157 PolarHBondContact O-N 3.35Å; E154-V157 VanDerWaalsContact O-N 3.15Å; V157-L160 PolarHBondContact O-N 2.93Å; V157-K161 HydrophobicContact CG1-CD 3.89Å; V157-K161 HydrophobicContact CG1-CG 4.38Å; V157-K161 WeakPolarHBondContact O-CB 3.42Å; V157-K161 VanDerWaalsContact O-CG 3.31Å; V157-K161 WeakPolarHBondContact O-CG 3.44Å; V157-K161 PolarHBondContact O-N 3.33Å
158E95.6Very high93.8Very high110 Ų11067 Ų6751%0.51436%0.36SS..Hα-helixtrans-58.6-49.4176.7-74.9175.4179.500111.7E154 K155 A156 L160 K161 A162E154-E158 WeakPolarHBondContact O-CG 3.41Å; E154-E158 PolarHBondContact O-N 3.34Å; K155-E158 PolarHBondContact O-N 3.17Å; A156-E158 PolarHBondContact O-N 3.07Å; E158-L160 VanDerWaalsContact C-N 3.35Å; E158-L160 PolarHBondContact O-N 3.46Å; E158-K161 PolarHBondContact O-N 3.35Å; E158-A162 VanDerWaalsContact O-CB 3.28Å; E158-A162 WeakPolarHBondContact O-CB 3.32Å; E158-A162 PolarHBondContact O-N 2.89Å
159L95.3Very high93.9Very high31 Ų3167 Ų6716%0.16236%0.359CS..Hα-helixtrans-61.7-41.8179.2-70169.2000112.1V143 V146 V148 K155 A156 K161 A162 A163V143-L159 HydrophobicContact CB-CB 3.98Å; V143-L159 HydrophobicContact CB-CD1 4.43Å; V143-L159 HydrophobicContact CG1-CB 3.88Å; V143-L159 HydrophobicContact CG2-CB 4.46Å; V146-L159 HydrophobicContact CB-CD1 4.08Å; V146-L159 HydrophobicContact CB-CD2 4.34Å; V146-L159 HydrophobicContact CG1-CD1 3.82Å; V146-L159 HydrophobicContact CG1-CD2 4.38Å; V146-L159 HydrophobicContact CG2-CD2 4.37Å; V148-L159 HydrophobicContact CG1-CD1 3.6Å; K155-L159 HydrophobicContact CG-CD1 4.39Å; K155-L159 WeakPolarHBondContact O-CG 3.37Å; K155-L159 PolarHBondContact O-N 2.87Å; K155-L159 VanDerWaalsContact O-N 3.07Å; A156-L159 PolarHBondContact O-N 2.97Å; L159-K161 VanDerWaalsContact C-N 3.31Å; L159-K161 PolarHBondContact O-N 3.44Å; L159-A162 PolarHBondContact O-N 2.88Å; L159-A163 PolarHBondContact O-N 2.98Å
160L94.6Very high94Very high13 Ų1363.5 Ų63.57%0.06835%0.345CS..Hα-helixtrans-67.5-31177.1-69.5171.5000112.8K98 L103 F105 I107 L140 V143 A156 V157 E158 V167 L169K98-L160 PolarHBondContact NZ-O 3.24Å; L103-L160 HydrophobicContact CD1-CB 4.26Å; L103-L160 HydrophobicContact CD1-CD2 3.89Å; F105-L160 HydrophobicContact CE2-CD1 3.99Å; F105-L160 HydrophobicContact CZ-CD1 4.12Å; F105-L160 HydrophobicContact CZ-CD2 3.94Å; I107-L160 HydrophobicContact CD1-CD1 4.09Å; I107-L160 HydrophobicContact CG2-CD1 4.49Å; L140-L160 HydrophobicContact CD2-CD1 4.34Å; V143-L160 HydrophobicContact CG1-CD2 3.95Å; V143-L160 HydrophobicContact CG1-CG 4.46Å; V143-L160 HydrophobicContact CG2-CD2 3.93Å; V143-L160 HydrophobicContact CG2-CG 4.23Å; A156-L160 WeakPolarHBondContact O-CB 3.27Å; A156-L160 WeakPolarHBondContact O-CG 3.42Å; A156-L160 PolarHBondContact O-N 3.28Å; V157-L160 PolarHBondContact O-N 2.93Å; E158-L160 VanDerWaalsContact C-N 3.35Å; E158-L160 PolarHBondContact O-N 3.46Å; L160-V167 HydrophobicContact CD2-CG2 4.22Å; L160-L169 HydrophobicContact CD2-CD2 3.57Å
161K91.9Very high94.1Very high156 Ų15661 Ų6168%0.67832%0.32SS*.Hα-helixtrans-79.3-36.6176.1-76.1179179.2177.20112.5V157 E158 L159 A163V157-K161 HydrophobicContact CG1-CD 3.89Å; V157-K161 HydrophobicContact CG1-CG 4.38Å; V157-K161 WeakPolarHBondContact O-CB 3.42Å; V157-K161 VanDerWaalsContact O-CG 3.31Å; V157-K161 WeakPolarHBondContact O-CG 3.44Å; V157-K161 PolarHBondContact O-N 3.33Å; E158-K161 PolarHBondContact O-N 3.35Å; L159-K161 VanDerWaalsContact C-N 3.31Å; L159-K161 PolarHBondContact O-N 3.44Å; K161-A163 VanDerWaalsContact C-N 3.28Å; K161-A163 PolarHBondContact O-N 3.03Å
162A91.4Very high94Very high71 Ų7161.4 Ų61.459%0.58732%0.318SS*.Hα-helixtrans-72.8-17.8-179.200000113.7E158 L159 Q164E158-A162 VanDerWaalsContact O-CB 3.28Å; E158-A162 WeakPolarHBondContact O-CB 3.32Å; E158-A162 PolarHBondContact O-N 2.89Å; L159-A162 PolarHBondContact O-N 2.88Å; A162-Q164 PolarHBondContact O-N 3.32Å
163A89.1Confident93.7Very high8 Ų860.5 Ų60.57%0.06631%0.311CS..  trans-60.7131.6176.900000112L159 K161 V167L159-A163 PolarHBondContact O-N 2.98Å; K161-A163 VanDerWaalsContact C-N 3.28Å; K161-A163 PolarHBondContact O-N 3.03Å; A163-V167 HydrophobicContact CB-CB 3.82Å; A163-V167 HydrophobicContact CB-CG2 3.91Å
164Q88.3Confident93.2Very high177 Ų17759.9 Ų59.983%0.82731%0.311SS*.  trans-117.7136.4178.4-61178.927.700109.6A162 S166A162-Q164 PolarHBondContact O-N 3.32Å; Q164-S166 VanDerWaalsContact C-N 3.28Å; Q164-S166 PolarHBondContact O-N 3.48Å
165G91.2Very high92.7Very high60 Ų6054.7 Ų54.762%0.61929%0.289SS*.SBendtrans75.6-69.718000000113.5K98K98-G165 PolarHBondContact N-O 3.02Å
166S93.3Very high92.2Very high43 Ų4359.9 Ų59.930%0.30131%0.307SS..EExtended strand (participates in β ladder)trans-135.3159.7174.5690000111.6E95 L96 Q164E95-S166 WeakPolarHBondContact OE1-CB 3.49Å; E95-S166 PolarHBondContact OE1-OG 2.92Å; L96-S166 CarbonylContact O-C 3.53Å; L96-S166 VanDerWaalsContact O-CA 3.31Å; L96-S166 WeakPolarHBondContact O-CA 3.46Å; Q164-S166 VanDerWaalsContact C-N 3.28Å; Q164-S166 PolarHBondContact O-N 3.48Å
167V95.2Very high91.6Very high0 Ų062.1 Ų62.10%032%0.32CS..EExtended strand (participates in β ladder)trans-123.6122.8171.8670000109.4E95 L96 L103 V143 L160 A163 L169E95-V167 CarbonylContact C-O 3.55Å; E95-V167 WeakPolarHBondContact CA-O 3.29Å; L96-V167 HydrophobicContact CB-CG1 3.91Å; L96-V167 PolarHBondContact N-O 3.11Å; L96-V167 PolarHBondContact O-N 3.31Å; L103-V167 HydrophobicContact CD1-CG1 3.83Å; L103-V167 HydrophobicContact CD2-CG1 3.46Å; L103-V167 VanDerWaalsContact CD2-CG1 3.46Å; L103-V167 HydrophobicContact CG-CG1 4.3Å; V143-V167 HydrophobicContact CG1-CG2 3.68Å; L160-V167 HydrophobicContact CD2-CG2 4.22Å; A163-V167 HydrophobicContact CB-CB 3.82Å; A163-V167 HydrophobicContact CB-CG2 3.91Å; V167-L169 HydrophobicContact CG1-CD2 4.33Å; V167-L169 HydrophobicContact CG1-CG 4.29Å; V167-L169 HydrophobicContact CG2-CD2 3.58Å; V167-L169 HydrophobicContact CG2-CG 4.26Å
168K96.4Very high91.1Very high103 Ų10360.6 Ų60.645%0.44831%0.311SS..EExtended strand (participates in β ladder)trans-94.3109.1175.7-172.8178.9-174.5176.90109.2V93 N144V93-K168 HydrophobicContact CG1-CD 4.19Å; V93-K168 VanDerWaalsContact CG1-CE 3.44Å; V93-K168 HydrophobicContact CG1-CG 3.67Å; N144-K168 PolarHBondContact N-O 2.92Å; N144-K168 PolarHBondContact OD1-N 3.29Å
169L97.1Very high90.7Very high0 Ų061 Ų610%031%0.313CS..EExtended strand (participates in β ladder)trans-101.7139.4179.7-52.8176.1000109.5V93 V94 L96 F105 L134 L140 S142 V143 L160 V167 V171V93-L169 CarbonylContact C-O 3.59Å; V93-L169 VanDerWaalsContact CA-O 3.31Å; V93-L169 WeakPolarHBondContact CA-O 3.4Å; V94-L169 PolarHBondContact N-O 2.88Å; V94-L169 PolarHBondContact O-N 3.02Å; L96-L169 HydrophobicContact CD1-CD1 4.06Å; F105-L169 HydrophobicContact CE1-CD1 4.06Å; F105-L169 HydrophobicContact CZ-CD1 3.96Å; L134-L169 HydrophobicContact CD1-CD1 3.83Å; L134-L169 HydrophobicContact CD2-CD1 4.3Å; L140-L169 HydrophobicContact CD1-CB 4.2Å; L140-L169 HydrophobicContact CD1-CD2 4Å; S142-L169 WeakPolarHBondContact O-CA 3.35Å; V143-L169 HydrophobicContact CB-CD2 4.44Å; V143-L169 HydrophobicContact CG1-CD2 4.16Å; V143-L169 HydrophobicContact CG2-CD2 4.01Å; L160-L169 HydrophobicContact CD2-CD2 3.57Å; V167-L169 HydrophobicContact CG1-CD2 4.33Å; V167-L169 HydrophobicContact CG1-CG 4.29Å; V167-L169 HydrophobicContact CG2-CD2 3.58Å; V167-L169 HydrophobicContact CG2-CG 4.26Å; L169-V171 HydrophobicContact CB-CG1 4.19Å
170V95.6Very high90.3Very high32 Ų3264.9 Ų64.919%0.19433%0.33CS..EExtended strand (participates in β ladder)trans-107120.5163.3-175.30000107.5P91 R92 V93 L141 S142P91-V170 HydrophobicContact CB-CG1 3.88Å; R92-V170 CarbonylContact O-C 3.54Å; R92-V170 WeakPolarHBondContact O-CA 3.44Å; V93-V170 HydrophobicContact CG2-CG2 4.31Å; L141-V170 WeakPolarHBondContact CA-O 3.48Å; L141-V170 HydrophobicContact CB-CB 4.38Å; L141-V170 HydrophobicContact CB-CG1 4.3Å; L141-V170 WeakPolarHBondContact CB-O 3.27Å; L141-V170 HydrophobicContact CD1-CG1 4.15Å; L141-V170 PolarHBondContact N-O 3.39Å; S142-V170 PolarHBondContact N-O 3.19Å; S142-V170 PolarHBondContact O-N 3.47Å; S142-V170 VanDerWaalsContact OG-CB 3.26Å; S142-V170 WeakPolarHBondContact OG-CB 3.36Å; S142-V170 WeakPolarHBondContact OG-CG2 3.3Å
171V94.4Very high89.7Confident0 Ų064.8 Ų64.80%033%0.329CS..EExtended strand (participates in β ladder)trans-129.1152.2-175.3-60.40000112.2P91 R92 V94 L134 D138 Q139 L140 L169P91-V171 CarbonylContact C-O 3.15Å; P91-V171 WeakPolarHBondContact CA-O 3.24Å; R92-V171 HydrophobicContact CG-CG2 3.6Å; R92-V171 PolarHBondContact N-O 2.99Å; R92-V171 PolarHBondContact O-N 3.33Å; V94-V171 HydrophobicContact CG2-CG2 3.92Å; L134-V171 HydrophobicContact CD2-CB 4.47Å; L134-V171 HydrophobicContact CD2-CG1 3.79Å; L134-V171 HydrophobicContact CD2-CG2 4.03Å; D138-V171 HydrophobicContact CB-CB 4.1Å; D138-V171 HydrophobicContact CB-CG2 4.45Å; Q139-V171 CarbonylContact O-C 3.58Å; Q139-V171 WeakPolarHBondContact O-CA 3.36Å; Q139-V171 WeakPolarHBondContact O-CB 3.17Å; L140-V171 HydrophobicContact CD1-CG1 4.02Å; L169-V171 HydrophobicContact CB-CG1 4.19Å
172R91.7Very high89.4Confident86 Ų8659.8 Ų59.833%0.32531%0.309SS..EExtended strand (participates in β ladder)trans-128.1124.5174.9179-179.1-58.2171.86109.1A89 D138 Q139 L141 T174A89-R172 WeakPolarHBondContact O-CD 3.47Å; A89-R172 WeakPolarHBondContact O-CG 3.3Å; A89-R172 PolarHBondContact O-NE 3.02Å; D138-R172 CarbonylContact C-O 3.59Å; D138-R172 WeakPolarHBondContact CA-O 3.4Å; Q139-R172 HydrophobicContact CB-CB 4.44Å; Q139-R172 WeakPolarHBondContact CB-O 3.42Å; Q139-R172 PolarHBondContact N-O 3.45Å; Q139-R172 PolarHBondContact O-N 3.34Å; L141-R172 HydrophobicContact CD1-CB 3.99Å; L141-R172 HydrophobicContact CG-CB 4.39Å; R172-T174 PolarHBondContact O-N 3.27Å
173Y89.4Confident89.2Confident70 Ų7058.8 Ų58.828%0.27530%0.3SS..EExtended strand (participates in β ladder)trans-74.8121.6179-173.9-116.4000110.1H88 K135 R136 D138 P175H88-Y173 HydrophobicContact CB-CD1 3.5Å; H88-Y173 VanDerWaalsContact CB-CD1 3.5Å; H88-Y173 HydrophobicContact CB-CG 3.58Å; H88-Y173 AromaticContact CG-CD1 3.95Å; H88-Y173 WeakPolarHBondContact O-CB 3.35Å; H88-Y173 PolarHBondContact O-N 2.98Å; K135-Y173 HydrophobicContact CB-CD2 4.4Å; K135-Y173 HydrophobicContact CB-CE2 4.16Å; R136-Y173 WeakPolarHBondContact O-CE2 3.46Å; D138-Y173 WeakPolarHBondContact OD1-CA 3.33Å; D138-Y173 WeakPolarHBondContact OD1-CB 3.32Å; D138-Y173 WeakPolarHBondContact OD1-CD2 3.14Å; Y173-P175 VanDerWaalsContact CD1-CD 3.46Å; Y173-P175 HydrophobicContact CD1-CG 4.02Å; Y173-P175 HydrophobicContact CE1-CB 4.32Å; Y173-P175 VanDerWaalsContact CE1-CD 3.48Å; Y173-P175 HydrophobicContact CE1-CG 3.47Å; Y173-P175 VanDerWaalsContact CE1-CG 3.47Å; Y173-P175 HydrophobicContact CE2-CB 4.12Å; Y173-P175 HydrophobicContact CE2-CG 4.13Å
174T85.3Confident88.9Confident35 Ų3566.7 Ų66.722%0.21533%0.328CS..  trans-146.666.4178.1-44.30000109.2G137 R172 R176 V177G137-T174 CarbonylContact O-C 3.57Å; G137-T174 VanDerWaalsContact O-C 3.27Å; G137-T174 PolarHBondContact O-N 3.3Å; R172-T174 PolarHBondContact O-N 3.27Å; T174-R176 VanDerWaalsContact C-N 3.3Å; T174-R176 PolarHBondContact O-N 3.43Å; T174-V177 HydrophobicContact CG2-CB 4.02Å; T174-V177 HydrophobicContact CG2-CG2 3.49Å; T174-V177 VanDerWaalsContact CG2-CG2 3.49Å; T174-V177 PolarHBondContact O-N 2.94Å
175P84.5Confident88.5Confident33 Ų3361.6 Ų61.621%0.21430%0.304CS..Hα-helixtrans-63.2-34.9-170.127.6-38.1000112.8Y173 V177 L178 E179Y173-P175 VanDerWaalsContact CD1-CD 3.46Å; Y173-P175 HydrophobicContact CD1-CG 4.02Å; Y173-P175 HydrophobicContact CE1-CB 4.32Å; Y173-P175 VanDerWaalsContact CE1-CD 3.48Å; Y173-P175 HydrophobicContact CE1-CG 3.47Å; Y173-P175 VanDerWaalsContact CE1-CG 3.47Å; Y173-P175 HydrophobicContact CE2-CB 4.12Å; Y173-P175 HydrophobicContact CE2-CG 4.13Å; P175-V177 VanDerWaalsContact C-N 3.29Å; P175-V177 PolarHBondContact O-N 3.48Å; P175-L178 WeakPolarHBondContact O-CB 3.39Å; P175-L178 PolarHBondContact O-N 3.47Å; P175-L178 VanDerWaalsContact O-N 3.11Å; P175-E179 WeakPolarHBondContact O-CG 3.38Å; P175-E179 PolarHBondContact O-N 2.9Å
176R84.7Confident88.2Confident193 Ų19363.7 Ų63.773%0.72830%0.297SS*.Hα-helixtrans-59.5-38.7179.6-68.2-174.2179175.81112.6T174 E179 E180T174-R176 VanDerWaalsContact C-N 3.3Å; T174-R176 PolarHBondContact O-N 3.43Å; R176-E179 PolarHBondContact O-N 3.41Å; R176-E180 WeakPolarHBondContact O-CG 3.45Å; R176-E180 PolarHBondContact O-N 3.41Å
177V82.2Confident87.7Confident48 Ų4869 Ų6929%0.29132%0.315SS..Hα-helixtrans-68.9-38.9178.61780000110.4Y118 T174 P175 E180 M181Y118-V177 HydrophobicContact CE1-CB 4.43Å; Y118-V177 HydrophobicContact CE2-CG1 3.9Å; Y118-V177 VanDerWaalsContact OH-CG1 3.22Å; Y118-V177 WeakPolarHBondContact OH-CG1 3.43Å; T174-V177 HydrophobicContact CG2-CB 4.02Å; T174-V177 HydrophobicContact CG2-CG2 3.49Å; T174-V177 VanDerWaalsContact CG2-CG2 3.49Å; T174-V177 PolarHBondContact O-N 2.94Å; P175-V177 VanDerWaalsContact C-N 3.29Å; P175-V177 PolarHBondContact O-N 3.48Å; V177-E180 PolarHBondContact O-N 3.34Å; V177-M181 HydrophobicContact CG1-CG 4.45Å; V177-M181 HydrophobicContact CG1-SD 4.08Å; V177-M181 WeakPolarHBondContact O-CB 3.35Å; V177-M181 VanDerWaalsContact O-CG 3.24Å; V177-M181 WeakPolarHBondContact O-CG 3.31Å; V177-M181 PolarHBondContact O-N 3.45Å
178L85.8Confident86.7Confident3 Ų374.1 Ų74.12%0.01634%0.34CS..Hα-helixtrans-61.2-46.3173.6179.764.6000111.6M108 Y118 R136 G137 P175 E180 M181 E182M108-L178 HydrophobicContact CE-CD1 3.75Å; M108-L178 HydrophobicContact CG-CD1 3.86Å; M108-L178 HydrophobicContact SD-CD1 3.35Å; M108-L178 WeakPolarHBondContact SD-CD1 3.46Å; Y118-L178 HydrophobicContact CD1-CB 4.34Å; Y118-L178 HydrophobicContact CG-CD1 4.36Å; R136-L178 HydrophobicContact CG-CD2 3.58Å; G137-L178 VanDerWaalsContact CA-CD2 3.48Å; G137-L178 VanDerWaalsContact N-CD2 3.33Å; P175-L178 WeakPolarHBondContact O-CB 3.39Å; P175-L178 PolarHBondContact O-N 3.47Å; P175-L178 VanDerWaalsContact O-N 3.11Å; L178-E180 VanDerWaalsContact C-N 3.35Å; L178-E180 PolarHBondContact O-N 2.91Å; L178-M181 WeakPolarHBondContact O-CB 3.39Å; L178-M181 PolarHBondContact O-N 2.96Å; L178-E182 HydrophobicContact CD1-CG 4.29Å; L178-E182 HydrophobicContact CG-CG 4.46Å; L178-E182 WeakPolarHBondContact O-CG 3.39Å; L178-E182 PolarHBondContact O-N 3.01Å
179E87.7Confident85.8Confident120 Ų12076.9 Ų76.956%0.56135%0.348SS*.Hα-helixtrans-59.5-44.1178-70.9168.5-175.400111.8P175 R176 E182 A183P175-E179 WeakPolarHBondContact O-CG 3.38Å; P175-E179 PolarHBondContact O-N 2.9Å; R176-E179 PolarHBondContact O-N 3.41Å; E179-E182 PolarHBondContact O-N 2.98Å; E179-A183 WeakPolarHBondContact O-CB 3.39Å; E179-A183 PolarHBondContact O-N 3.41Å
180E85.8Confident84.9Confident111 Ų11178.3 Ų78.352%0.51936%0.358SS..Hα-helixtrans-62.8-41.1175.5-74178.3-163.600112.3R176 V177 L178 R184R176-E180 WeakPolarHBondContact O-CG 3.45Å; R176-E180 PolarHBondContact O-N 3.41Å; V177-E180 PolarHBondContact O-N 3.34Å; L178-E180 VanDerWaalsContact C-N 3.35Å; L178-E180 PolarHBondContact O-N 2.91Å; E180-R184 VanDerWaalsContact O-CG 3.31Å; E180-R184 WeakPolarHBondContact O-CG 3.44Å; E180-R184 PolarHBondContact O-N 2.95Å; E180-R184 VanDerWaalsContact O-N 3.07Å
181M82.4Confident84Confident11 Ų1178.8 Ų78.85%0.05437%0.365CS..Hα-helixtrans-63-49.3175.8-74.517456.700111.2M108 Y118 V177 L178 A183 R184 F185M108-M181 HydrophobicContact SD-CE 4.46Å; Y118-M181 HydrophobicContact CD2-CE 4Å; Y118-M181 HydrophobicContact CD2-SD 3.59Å; Y118-M181 VanDerWaalsContact CD2-SD 3.59Å; Y118-M181 HydrophobicContact CE2-CE 4.49Å; Y118-M181 HydrophobicContact CE2-SD 3.57Å; Y118-M181 VanDerWaalsContact CE2-SD 3.57Å; V177-M181 HydrophobicContact CG1-CG 4.45Å; V177-M181 HydrophobicContact CG1-SD 4.08Å; V177-M181 WeakPolarHBondContact O-CB 3.35Å; V177-M181 VanDerWaalsContact O-CG 3.24Å; V177-M181 WeakPolarHBondContact O-CG 3.31Å; V177-M181 PolarHBondContact O-N 3.45Å; L178-M181 WeakPolarHBondContact O-CB 3.39Å; L178-M181 PolarHBondContact O-N 2.96Å; M181-A183 VanDerWaalsContact C-N 3.34Å; M181-A183 PolarHBondContact O-N 2.87Å; M181-R184 WeakPolarHBondContact O-CB 3.41Å; M181-R184 PolarHBondContact O-N 3.03Å; M181-R184 VanDerWaalsContact O-N 3.14Å; M181-F185 WeakPolarHBondContact O-CD2 3.48Å; M181-F185 PolarHBondContact O-N 3.48Å
182E86.5Confident83.1Confident52 Ų5286.4 Ų86.424%0.24339%0.394CS..Hα-helixtrans-60.2-42.8178-74.6176.4161.200111.8M108 R136 L178 E179 R184 F185 E186M108-E182 HydrophobicContact CE-CG 3.66Å; M108-E182 WeakPolarHBondContact CE-OE1 3.32Å; M108-E182 HydrophobicContact SD-CG 4.08Å; R136-E182 IonicContact CZ-OE1 3.81Å; R136-E182 IonicContact CZ-OE2 3.99Å; R136-E182 IonicContact NE-OE1 2.78Å; R136-E182 VanDerWaalsContact NH2-CD 3.3Å; R136-E182 IonicContact NH2-OE1 2.75Å; R136-E182 PolarHBondContact NH2-OE1 3.36Å; R136-E182 IonicContact NH2-OE2 3.67Å; R136-E182 PolarHBondContact NH2-OE2 3.09Å; L178-E182 HydrophobicContact CD1-CG 4.29Å; L178-E182 HydrophobicContact CG-CG 4.46Å; L178-E182 WeakPolarHBondContact O-CG 3.39Å; L178-E182 PolarHBondContact O-N 3.01Å; E179-E182 PolarHBondContact O-N 2.98Å; E182-R184 VanDerWaalsContact C-N 3.3Å; E182-R184 PolarHBondContact O-N 3.42Å; E182-F185 PolarHBondContact O-N 2.88Å; E182-E186 PolarHBondContact O-N 3.19Å
183A87.2Confident82.1Confident50 Ų5090.2 Ų90.241%0.41341%0.408SS..Hα-helixtrans-61.6-37.2175.800000112.5E179 M181 K187E179-A183 WeakPolarHBondContact O-CB 3.39Å; E179-A183 PolarHBondContact O-N 3.41Å; M181-A183 VanDerWaalsContact C-N 3.34Å; M181-A183 PolarHBondContact O-N 2.87Å; A183-K187 WeakPolarHBondContact O-CG 3.22Å; A183-K187 PolarHBondContact O-N 3.49Å; A183-K187 VanDerWaalsContact O-N 3.13Å
184R83Confident81.1Confident173 Ų17395.1 Ų95.165%0.65343%0.426SS*.Hα-helixtrans-65.7-43.8173.5-72.4172.5-176.2-166.53.7111.5E180 M181 E182 K187 M188E180-R184 VanDerWaalsContact O-CG 3.31Å; E180-R184 WeakPolarHBondContact O-CG 3.44Å; E180-R184 PolarHBondContact O-N 2.95Å; E180-R184 VanDerWaalsContact O-N 3.07Å; M181-R184 WeakPolarHBondContact O-CB 3.41Å; M181-R184 PolarHBondContact O-N 3.03Å; M181-R184 VanDerWaalsContact O-N 3.14Å; E182-R184 VanDerWaalsContact C-N 3.3Å; E182-R184 PolarHBondContact O-N 3.42Å; R184-K187 PolarHBondContact O-N 3.45Å; R184-M188 PolarHBondContact O-N 3.1Å; R184-M188 VanDerWaalsContact O-N 3.13Å
185F79.7Confident80.1Confident70 Ų70100 Ų10031%0.30745%0.446SS..Hα-helixtrans-63.8-42.3177.1-82.8-69000112.6Q113 M181 E182 M188 R189Q113-F185 HydrophobicContact CB-CZ 4.24Å; Q113-F185 HydrophobicContact CG-CZ 4.05Å; M181-F185 WeakPolarHBondContact O-CD2 3.48Å; M181-F185 PolarHBondContact O-N 3.48Å; E182-F185 PolarHBondContact O-N 2.88Å; F185-M188 PolarHBondContact O-N 3.22Å; F185-R189 WeakPolarHBondContact O-CB 3.47Å; F185-R189 WeakPolarHBondContact O-CG 3.4Å; F185-R189 PolarHBondContact O-N 3.46Å
186E84.2Confident79Confident104 Ų104104.1 Ų104.149%0.48646%0.463SS..Hα-helixtrans-66.8-38.5179.6-170.254.6-142.100112E182 M188 R189 S190E182-E186 PolarHBondContact O-N 3.19Å; E186-M188 VanDerWaalsContact C-N 3.34Å; E186-M188 PolarHBondContact O-N 3.47Å; E186-R189 PolarHBondContact O-N 3.36Å; E186-S190 WeakPolarHBondContact O-CB 3.35Å; E186-S190 PolarHBondContact O-N 2.97Å; E186-S190 PolarHBondContact O-OG 2.94Å
187K82.4Confident77.7Confident155 Ų155101.5 Ų101.567%0.67446%0.459SS*.Hα-helixtrans-59.7-43.6171.4-76.1176.9-177.8179.40111.9A183 R184 S190 A191A183-K187 WeakPolarHBondContact O-CG 3.22Å; A183-K187 PolarHBondContact O-N 3.49Å; A183-K187 VanDerWaalsContact O-N 3.13Å; R184-K187 PolarHBondContact O-N 3.45Å; K187-S190 PolarHBondContact O-OG 3.27Å; K187-A191 WeakPolarHBondContact O-CB 3.31Å; K187-A191 PolarHBondContact O-N 2.82Å
188M75.6Confident76.6Confident107 Ų107105.7 Ų105.753%0.52748%0.475SS..Hα-helixtrans-68.8-40.5178.8-166.5180-67.900112.3R184 F185 E186 A191 R192R184-M188 PolarHBondContact O-N 3.1Å; R184-M188 VanDerWaalsContact O-N 3.13Å; F185-M188 PolarHBondContact O-N 3.22Å; E186-M188 VanDerWaalsContact C-N 3.34Å; E186-M188 PolarHBondContact O-N 3.47Å; M188-A191 PolarHBondContact O-N 3.41Å; M188-R192 PolarHBondContact O-N 2.79Å; M188-R192 VanDerWaalsContact O-N 3.1Å
189R76.9Confident75.2Confident162 Ų162108.6 Ų108.661%0.61150%0.495SS*.Hα-helixtrans-64.4-45.4175.7-77.3-176.5174-150.5-1.7111.9F185 E186 A191 R192 R193F185-R189 WeakPolarHBondContact O-CB 3.47Å; F185-R189 WeakPolarHBondContact O-CG 3.4Å; F185-R189 PolarHBondContact O-N 3.46Å; E186-R189 PolarHBondContact O-N 3.36Å; R189-A191 VanDerWaalsContact C-N 3.35Å; R189-A191 PolarHBondContact O-N 2.84Å; R189-R192 PolarHBondContact O-N 3.29Å; R189-R193 WeakPolarHBondContact O-CG 3.31Å; R189-R193 PolarHBondContact O-N 3.21Å
190S78.4Confident73.3Confident29 Ų29111 Ų11120%0.20350%0.501CS..Hα-helixtrans-65.7-36.1177.761.40000112.4E186 K187 R193 R194E186-S190 WeakPolarHBondContact O-CB 3.35Å; E186-S190 PolarHBondContact O-N 2.97Å; E186-S190 PolarHBondContact O-OG 2.94Å; K187-S190 PolarHBondContact O-OG 3.27Å; S190-R193 PolarHBondContact O-N 3.33Å; S190-R194 WeakPolarHBondContact O-CG 3.31Å; S190-R194 PolarHBondContact O-N 3.14Å; S190-R194 PolarHBondContact OG-NH1 3.36Å
191A77.1Confident72Confident43 Ų43109.6 Ų109.636%0.35550%0.5SS..Hα-helixtrans-62.5-45.1172.600000112.4K187 M188 R189 R194 Q195K187-A191 WeakPolarHBondContact O-CB 3.31Å; K187-A191 PolarHBondContact O-N 2.82Å; M188-A191 PolarHBondContact O-N 3.41Å; R189-A191 VanDerWaalsContact C-N 3.35Å; R189-A191 PolarHBondContact O-N 2.84Å; A191-R194 PolarHBondContact O-N 3.49Å; A191-Q195 WeakPolarHBondContact O-CG 3.35Å; A191-Q195 PolarHBondContact O-N 3.04Å
192R73.9Confident70.8Confident160 Ų160111.9 Ų111.960%0.60452%0.516SS*.Hα-helixtrans-64.6-40.9176.3-74.2-176.8-179.11781.6112.7M188 R189 R194 Q195 Q196M188-R192 PolarHBondContact O-N 2.79Å; M188-R192 VanDerWaalsContact O-N 3.1Å; R189-R192 PolarHBondContact O-N 3.29Å; R192-R194 VanDerWaalsContact C-N 3.32Å; R192-R194 PolarHBondContact O-N 3.11Å; R192-Q195 PolarHBondContact O-N 3.04Å; R192-Q196 WeakPolarHBondContact O-CG 3.42Å; R192-Q196 PolarHBondContact O-N 3.23Å
193R71.5Confident69.3Low166 Ų166115.7 Ų115.763%0.62654%0.538SS*.Hα-helixtrans-61-40.7175.2-76.8-178.8173.8176.9-2.4111.9R189 S190 Q196 H197R189-R193 WeakPolarHBondContact O-CG 3.31Å; R189-R193 PolarHBondContact O-N 3.21Å; S190-R193 PolarHBondContact O-N 3.33Å; R193-Q196 PolarHBondContact O-N 3.3Å; R193-H197 WeakPolarHBondContact O-CB 3.4Å; R193-H197 PolarHBondContact O-N 2.97Å
194R68.8Low67.8Low172 Ų172121 Ų12165%0.64955%0.554SS**Hα-helixtrans-64-41.4174.9-72.5179.5-174.8107.1-1.9112.1S190 A191 R192 H198S190-R194 WeakPolarHBondContact O-CG 3.31Å; S190-R194 PolarHBondContact O-N 3.14Å; S190-R194 PolarHBondContact OG-NH1 3.36Å; A191-R194 PolarHBondContact O-N 3.49Å; R192-R194 VanDerWaalsContact C-N 3.32Å; R192-R194 PolarHBondContact O-N 3.11Å; R194-H198 VanDerWaalsContact O-CB 3.26Å; R194-H198 WeakPolarHBondContact O-CB 3.42Å; R194-H198 PolarHBondContact O-N 3.44Å
195Q64.8Low66.5Low137 Ų137117.7 Ų117.764%0.6456%0.557SS**Hα-helixtrans-66.5-40.1176.9-72.6176.4-14.400112.5A191 R192 H198 S199A191-Q195 WeakPolarHBondContact O-CG 3.35Å; A191-Q195 PolarHBondContact O-N 3.04Å; R192-Q195 PolarHBondContact O-N 3.04Å; Q195-H198 PolarHBondContact O-N 3.04Å; Q195-S199 PolarHBondContact O-N 3.43Å; Q195-S199 PolarHBondContact O-OG 2.92Å
196Q60.8Low65.1Low121 Ų121125.6 Ų125.657%0.56559%0.585SS**Hα-helixtrans-65.2-47.6174.6-74.7178.5-12.800111.3R192 R193 H198 S199 Y200R192-Q196 WeakPolarHBondContact O-CG 3.42Å; R192-Q196 PolarHBondContact O-N 3.23Å; R193-Q196 PolarHBondContact O-N 3.3Å; Q196-H198 VanDerWaalsContact C-N 3.31Å; Q196-H198 PolarHBondContact O-N 3.21Å; Q196-S199 WeakPolarHBondContact CA-OG 3.37Å; Q196-S199 PolarHBondContact O-N 3.43Å; Q196-S199 PolarHBondContact O-OG 3.03Å; Q196-Y200 VanDerWaalsContact O-CD2 3.24Å; Q196-Y200 WeakPolarHBondContact O-CD2 3.35Å; Q196-Y200 PolarHBondContact O-N 3.45Å; Q196-Y200 VanDerWaalsContact O-N 3.13Å
197H58.1Low63.4Low138 Ų138127.1 Ų127.164%0.63963%0.629SS**Hα-helixtrans-60.4-41.1176.1-114.2-80000112.2R193 S199 Y200 T201R193-H197 WeakPolarHBondContact O-CB 3.4Å; R193-H197 PolarHBondContact O-N 2.97Å; H197-S199 VanDerWaalsContact C-N 3.3Å; H197-S199 PolarHBondContact O-N 2.85Å; H197-Y200 PolarHBondContact O-N 3.18Å; H197-T201 PolarHBondContact O-N 3.49Å; H197-T201 PolarHBondContact O-OG1 3.28Å
198H57.9Low62.5Low135 Ų135125.7 Ų125.763%0.62563%0.626SS**Hα-helixtrans-67.6-29.8179.4-16263.9000113.1R194 Q195 Q196 S202R194-H198 VanDerWaalsContact O-CB 3.26Å; R194-H198 WeakPolarHBondContact O-CB 3.42Å; R194-H198 PolarHBondContact O-N 3.44Å; Q195-H198 PolarHBondContact O-N 3.04Å; Q196-H198 VanDerWaalsContact C-N 3.31Å; Q196-H198 PolarHBondContact O-N 3.21Å; H198-S202 WeakPolarHBondContact O-CB 3.47Å; H198-S202 PolarHBondContact O-N 3.15Å; H198-S202 VanDerWaalsContact O-N 3.13Å; H198-S202 PolarHBondContact O-OG 2.73Å
199S56.6Low61.8Low64 Ų64126.7 Ų126.745%0.44863%0.631SS.*Hα-helixtrans-74.3-32.7174.126.90000112.5Q195 Q196 H197 L203Q195-S199 PolarHBondContact O-N 3.43Å; Q195-S199 PolarHBondContact O-OG 2.92Å; Q196-S199 WeakPolarHBondContact CA-OG 3.37Å; Q196-S199 PolarHBondContact O-N 3.43Å; Q196-S199 PolarHBondContact O-OG 3.03Å; H197-S199 VanDerWaalsContact C-N 3.3Å; H197-S199 PolarHBondContact O-N 2.85Å; S199-L203 WeakPolarHBondContact O-CD1 3.44Å; S199-L203 WeakPolarHBondContact O-CG 3.42Å; S199-L203 PolarHBondContact O-N 2.96Å
200Y47.1Very low60.9Low172 Ų172124.7 Ų124.768%0.67563%0.633SS**Hα-helixtrans-68.6-44.8171.1-81-77.8000112.4Q196 H197 S202 L203Q196-Y200 VanDerWaalsContact O-CD2 3.24Å; Q196-Y200 WeakPolarHBondContact O-CD2 3.35Å; Q196-Y200 PolarHBondContact O-N 3.45Å; Q196-Y200 VanDerWaalsContact O-N 3.13Å; H197-Y200 PolarHBondContact O-N 3.18Å; Y200-S202 VanDerWaalsContact C-N 3.32Å; Y200-S202 PolarHBondContact O-N 3.13Å; Y200-L203 PolarHBondContact O-N 3.42Å
201T58.8Low59.9Low81 Ų81130.4 Ų130.450%0.49766%0.658SS.*Hα-helixtrans-69.9-27.6-179-40.50000113H197H197-T201 PolarHBondContact O-N 3.49Å; H197-T201 PolarHBondContact O-OG1 3.28Å
202S57.4Low58.8Low58 Ų58135.8 Ų135.841%0.40668%0.677SS.*Hα-helixtrans-75.2-23.9176.9-59.20000113.5H198 Y200H198-S202 WeakPolarHBondContact O-CB 3.47Å; H198-S202 PolarHBondContact O-N 3.15Å; H198-S202 VanDerWaalsContact O-N 3.13Å; H198-S202 PolarHBondContact O-OG 2.73Å; Y200-S202 VanDerWaalsContact C-N 3.32Å; Y200-S202 PolarHBondContact O-N 3.13Å
203L55.6Low57.8Low133 Ų133134.2 Ų134.270%0.69668%0.682SS**Hα-helixtrans-76-32176.2-76.7161.7000111.9S199 Y200S199-L203 WeakPolarHBondContact O-CD1 3.44Å; S199-L203 WeakPolarHBondContact O-CG 3.42Å; S199-L203 PolarHBondContact O-N 2.96Å; Y200-L203 PolarHBondContact O-N 3.42Å
204E55.4Low56.8Low161 Ų161131.9 Ų131.975%0.75269%0.686SS**Hα-helixtrans-75.7-22.3178.9-68.4-177.3145.700113.3R206E204-R206 VanDerWaalsContact C-N 3.31Å; E204-R206 PolarHBondContact O-N 3.08Å
205S56.3Low55.9Low103 Ų103128.8 Ų128.872%0.7269%0.688SS**THydrogen-bonded Turntrans-887.9-176.7-1500000114.6
206R50.3Low55.2Low237 Ų237128.2 Ų128.289%0.89469%0.692SS**THydrogen-bonded Turntrans-111.312.1178.1-82.8-171.1167.4-164.9-2.7114.4E204E204-R206 VanDerWaalsContact C-N 3.31Å; E204-R206 PolarHBondContact O-N 3.08Å
207G47.9Very low54.7Low135 Ų135128.8 Ų128.8100%1.39270%0.704SS**  trans-93.80165.100000111.1

Retrieved 207 of 207 residues in 37.9 ms (Link to these results)

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