A0A096MKQ8_PAPAN Loading...

KH RNA binding domain containing, signal transduction associated 3

AlphaFold DB (A0A2K6D123), UniProt , Accession A0A096MKQ8, Species PAPAN (Papio anubis, Olive baboon), Gene KHDRBS3, Length 346 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
1M54.6Low80.8Confident226 Ų226108.5 Ų108.5100%1.11354%0.538SS*.  0-27.40-141.5173.8-8300111.2Y5M1-Y5 WeakPolarHBondContact O-CB 3.43Å
2E60.1Low81.7Confident150 Ų150107.9 Ų107.970%0.70153%0.533SS*.Hα-helixtrans-76.8-32.2-174.2-65.5168-174.400115.5K4 F34E2-K4 VanDerWaalsContact C-N 3.32Å; E2-K4 PolarHBondContact O-N 3.02Å; E2-F34 HydrophobicContact CG-CE1 4.46Å
3E65.3Low82.4Confident185 Ų185105.7 Ų105.786%0.86452%0.518SS*.Hα-helixtrans-67.6-23.6-173.2-75.7-174.8156.200115.3
4K81.6Confident83Confident157 Ų157107.7 Ų107.768%0.68353%0.533SS*.Hα-helixtrans-104.4-24.7178.9-67-173.7179.3-176.80113.6E2 P7 E8E2-K4 VanDerWaalsContact C-N 3.32Å; E2-K4 PolarHBondContact O-N 3.02Å; K4-P7 WeakPolarHBondContact O-CD 3.32Å; K4-E8 WeakPolarHBondContact O-CB 3.43Å; K4-E8 WeakPolarHBondContact O-CG 3.32Å; K4-E8 PolarHBondContact O-N 2.97Å; K4-E8 VanDerWaalsContact O-N 3.13Å
5Y87Confident83.7Confident88 Ų88106.9 Ų106.935%0.34554%0.542SS..Hα-helixtrans-70.7-40.5-171.5-172.2-118000113.4M1 E8 L9 E30 F34M1-Y5 WeakPolarHBondContact O-CB 3.43Å; Y5-E8 PolarHBondContact O-N 3.03Å; Y5-L9 HydrophobicContact CD1-CD1 3.98Å; Y5-L9 HydrophobicContact CE1-CD1 3.61Å; Y5-L9 HydrophobicContact CE1-CG 4.21Å; Y5-L9 HydrophobicContact CE2-CG 4.44Å; Y5-L9 WeakPolarHBondContact O-CG 3.49Å; Y5-L9 PolarHBondContact O-N 2.9Å; Y5-E30 HydrophobicContact CE1-CG 4.47Å; Y5-F34 HydrophobicContact CD1-CD2 4.29Å; Y5-F34 AromaticContact CD1-CE1 3.87Å; Y5-F34 HydrophobicContact CD1-CE1 3.87Å; Y5-F34 AromaticContact CD1-CE2 3.65Å; Y5-F34 HydrophobicContact CD1-CE2 3.65Å; Y5-F34 AromaticContact CD1-CZ 3.39Å; Y5-F34 HydrophobicContact CD1-CZ 3.39Å; Y5-F34 HydrophobicContact CE1-CD2 4.13Å; Y5-F34 HydrophobicContact CE1-CE1 4.36Å; Y5-F34 AromaticContact CE1-CE2 3.32Å; Y5-F34 HydrophobicContact CE1-CE2 3.32Å; Y5-F34 AromaticContact CE1-CZ 3.44Å; Y5-F34 HydrophobicContact CE1-CZ 3.44Å; Y5-F34 VanDerWaalsContact CE1-CZ 3.44Å
6L87.4Confident84.2Confident48 Ų48103 Ų10325%0.25152%0.522SS..Hα-helixtrans-67.6-45.8178.4-178.469.6000112.6E8 L9 M10 I31 F34L6-E8 VanDerWaalsContact C-N 3.28Å; L6-E8 PolarHBondContact O-N 3.26Å; L6-L9 PolarHBondContact O-N 3.44Å; L6-M10 WeakPolarHBondContact O-CG 3.1Å; L6-M10 PolarHBondContact O-N 3.32Å; L6-I31 HydrophobicContact CD1-CB 4.44Å; L6-I31 HydrophobicContact CD1-CG1 4.36Å; L6-I31 HydrophobicContact CD1-CG2 4.1Å; L6-F34 HydrophobicContact CD1-CB 4.13Å
7P90.2Very high84.6Confident75 Ų75101.9 Ų101.949%0.48752%0.518SS..Hα-helixtrans-56.8-39170.5-26.934000113.8K4 M10 A11K4-P7 WeakPolarHBondContact O-CD 3.32Å; P7-M10 PolarHBondContact O-N 3.4Å; P7-A11 PolarHBondContact O-N 3.26Å
8E90.8Very high84.7Confident103 Ų103101.8 Ų101.848%0.48153%0.525SS..Hα-helixtrans-62.8-47175.6-75.1165.4-168.500111.6K4 Y5 L6 M10 A11 E12K4-E8 WeakPolarHBondContact O-CB 3.43Å; K4-E8 WeakPolarHBondContact O-CG 3.32Å; K4-E8 PolarHBondContact O-N 2.97Å; K4-E8 VanDerWaalsContact O-N 3.13Å; Y5-E8 PolarHBondContact O-N 3.03Å; L6-E8 VanDerWaalsContact C-N 3.28Å; L6-E8 PolarHBondContact O-N 3.26Å; E8-M10 VanDerWaalsContact C-N 3.29Å; E8-M10 PolarHBondContact O-N 3.21Å; E8-A11 PolarHBondContact O-N 3.27Å; E8-E12 PolarHBondContact O-N 3.22Å
9L90.9Very high84.8Confident9 Ų9100.5 Ų100.55%0.04753%0.526CS..Hα-helixtrans-60.4-37.7175.7-72.3173.7000112.7Y5 L6 K13 V27 E30 I31 F34Y5-L9 HydrophobicContact CD1-CD1 3.98Å; Y5-L9 HydrophobicContact CE1-CD1 3.61Å; Y5-L9 HydrophobicContact CE1-CG 4.21Å; Y5-L9 HydrophobicContact CE2-CG 4.44Å; Y5-L9 WeakPolarHBondContact O-CG 3.49Å; Y5-L9 PolarHBondContact O-N 2.9Å; L6-L9 PolarHBondContact O-N 3.44Å; L9-K13 WeakPolarHBondContact O-CB 3.24Å; L9-K13 PolarHBondContact O-N 3.46Å; L9-V27 HydrophobicContact CB-CG1 4.46Å; L9-V27 HydrophobicContact CD2-CG1 4.33Å; L9-V27 WeakPolarHBondContact O-CG1 3.41Å; L9-E30 HydrophobicContact CD1-CB 4.19Å; L9-E30 HydrophobicContact CD1-CG 3.97Å; L9-I31 HydrophobicContact CB-CD1 4.14Å; L9-I31 HydrophobicContact CB-CG1 3.68Å; L9-I31 HydrophobicContact CD1-CG1 4.2Å; L9-F34 HydrophobicContact CD1-CD2 4.39Å
10M88.8Confident85Confident93 Ų93101.7 Ų101.746%0.45853%0.527SS..Hα-helixtrans-67.1-42.5176-69-176.77200111.6L6 P7 E8 K13 D14 I31L6-M10 WeakPolarHBondContact O-CG 3.1Å; L6-M10 PolarHBondContact O-N 3.32Å; P7-M10 PolarHBondContact O-N 3.4Å; E8-M10 VanDerWaalsContact C-N 3.29Å; E8-M10 PolarHBondContact O-N 3.21Å; M10-K13 WeakPolarHBondContact O-CB 3.39Å; M10-K13 PolarHBondContact O-N 3.23Å; M10-D14 PolarHBondContact O-N 2.64Å; M10-D14 VanDerWaalsContact O-N 3.14Å; M10-I31 HydrophobicContact CG-CD1 4.31Å
11A92.3Very high85.1Confident59 Ų5999.1 Ų99.149%0.48852%0.516SS..Hα-helixtrans-65.1-41.8175.600000112P7 E8 D14 S15P7-A11 PolarHBondContact O-N 3.26Å; E8-A11 PolarHBondContact O-N 3.27Å; A11-D14 PolarHBondContact O-N 3.24Å; A11-S15 WeakPolarHBondContact O-CB 3.46Å; A11-S15 PolarHBondContact O-N 3.28Å; A11-S15 PolarHBondContact O-OG 3.33Å
12E91.6Very high86.7Confident102 Ų10293 Ų9348%0.47749%0.485SS..Hα-helixtrans-60-48.6175.1-79.1-172.4-17000111.1E8 D14 S15 L16E8-E12 PolarHBondContact O-N 3.22Å; E12-D14 VanDerWaalsContact C-N 3.27Å; E12-D14 PolarHBondContact O-N 2.57Å; E12-S15 WeakPolarHBondContact CA-OG 3.22Å; E12-S15 PolarHBondContact O-N 3.49Å; E12-S15 VanDerWaalsContact O-N 3.11Å; E12-S15 PolarHBondContact O-OG 3.12Å; E12-L16 WeakPolarHBondContact O-CB 3.46Å; E12-L16 PolarHBondContact O-N 3.18Å
13K90.4Very high88.1Confident79 Ų7987.8 Ų87.834%0.34347%0.467SS..Hα-helixtrans-52.5-44.6176174.4-173.1168.9166.60112.3L9 M10 L24 V27 N28 I31L9-K13 WeakPolarHBondContact O-CB 3.24Å; L9-K13 PolarHBondContact O-N 3.46Å; M10-K13 WeakPolarHBondContact O-CB 3.39Å; M10-K13 PolarHBondContact O-N 3.23Å; K13-L24 HydrophobicContact CG-CD1 3.92Å; K13-V27 HydrophobicContact CB-CG1 3.86Å; K13-N28 VanDerWaalsContact CD-OD1 3.29Å; K13-N28 WeakPolarHBondContact CD-OD1 3.46Å; K13-N28 WeakPolarHBondContact CE-OD1 3.35Å; K13-N28 PolarHBondContact NZ-OD1 3.09Å; K13-I31 HydrophobicContact CB-CD1 4.32Å; K13-I31 HydrophobicContact CD-CD1 4.01Å
14D91.1Very high89.2Confident134 Ų13481.2 Ų81.272%0.71744%0.437SS*.Hα-helixtrans-75.2-27.7-177.3-68.6-15.8000112.3M10 A11 E12M10-D14 PolarHBondContact O-N 2.64Å; M10-D14 VanDerWaalsContact O-N 3.14Å; A11-D14 PolarHBondContact O-N 3.24Å; E12-D14 VanDerWaalsContact C-N 3.27Å; E12-D14 PolarHBondContact O-N 2.57Å
15S92.8Very high89.5Confident96 Ų9675.7 Ų75.767%0.67141%0.412SS*.Hα-helixtrans-86.4-17.8177.673.20000114.4A11 E12A11-S15 WeakPolarHBondContact O-CB 3.46Å; A11-S15 PolarHBondContact O-N 3.28Å; A11-S15 PolarHBondContact O-OG 3.33Å; E12-S15 WeakPolarHBondContact CA-OG 3.22Å; E12-S15 PolarHBondContact O-N 3.49Å; E12-S15 VanDerWaalsContact O-N 3.11Å; E12-S15 PolarHBondContact O-OG 3.12Å
16L92.6Very high89.7Confident44 Ų4475.9 Ų75.923%0.2342%0.419CS..SBendtrans-72.2131.1-174.6-154.4102.9000110.6E12 P18 F20 A23 L24E12-L16 WeakPolarHBondContact O-CB 3.46Å; E12-L16 PolarHBondContact O-N 3.18Å; L16-P18 WeakPolarHBondContact O-CD 3.41Å; L16-F20 HydrophobicContact CD2-CB 3.76Å; L16-F20 HydrophobicContact CG-CB 4.39Å; L16-A23 HydrophobicContact CD1-CB 4.33Å; L16-A23 HydrophobicContact CD2-CB 3.95Å; L16-L24 HydrophobicContact CD2-CB 3.7Å; L16-L24 HydrophobicContact CD2-CD1 4.2Å
17D90.3Very high89.9Confident85 Ų8574.4 Ų74.446%0.45541%0.412SS..  trans-59.8126.1172.91745.4000109.8S19 F20D17-S19 PolarHBondContact O-N 3.37Å; D17-S19 WeakPolarHBondContact OD1-CB 3.33Å; D17-S19 PolarHBondContact OD1-N 3.19Å; D17-S19 PolarHBondContact OD1-OG 3.23Å; D17-S19 WeakPolarHBondContact OD2-CB 3.39Å; D17-S19 PolarHBondContact OD2-OG 3.26Å; D17-F20 HydrophobicContact CB-CD2 3.88Å; D17-F20 HydrophobicContact CB-CE2 4.13Å; D17-F20 PolarHBondContact O-N 2.83Å
18P86.1Confident89.8Confident99 Ų9972.9 Ų72.964%0.64340%0.399SS*.THydrogen-bonded Turntrans-53.8-19.5176.4-27.735.3000114.9L16 F20L16-P18 WeakPolarHBondContact O-CD 3.41Å; P18-F20 PolarHBondContact O-N 3.36Å
19S88.1Confident89.7Confident77 Ų7771.9 Ų71.954%0.53840%0.395SS..THydrogen-bonded Turntrans-61.1-28.2173.276.90000113D17 T21D17-S19 PolarHBondContact O-N 3.37Å; D17-S19 WeakPolarHBondContact OD1-CB 3.33Å; D17-S19 PolarHBondContact OD1-N 3.19Å; D17-S19 PolarHBondContact OD1-OG 3.23Å; D17-S19 WeakPolarHBondContact OD2-CB 3.39Å; D17-S19 PolarHBondContact OD2-OG 3.26Å; S19-T21 VanDerWaalsContact C-N 3.25Å; S19-T21 PolarHBondContact O-N 3.03Å
20F88.8Confident89.7Confident125 Ų12574 Ų7455%0.54840%0.404SS..  trans-82.463.7176.9-66-70.2000112.2L16 D17 P18 H22 A23 L24L16-F20 HydrophobicContact CD2-CB 3.76Å; L16-F20 HydrophobicContact CG-CB 4.39Å; D17-F20 HydrophobicContact CB-CD2 3.88Å; D17-F20 HydrophobicContact CB-CE2 4.13Å; D17-F20 PolarHBondContact O-N 2.83Å; P18-F20 PolarHBondContact O-N 3.36Å; F20-H22 VanDerWaalsContact C-N 3.26Å; F20-H22 PolarHBondContact O-N 3.41Å; F20-H22 VanDerWaalsContact O-N 3.17Å; F20-A23 HydrophobicContact CB-CB 4.15Å; F20-A23 PolarHBondContact O-N 3.42Å; F20-L24 WeakPolarHBondContact O-CB 3.48Å; F20-L24 PolarHBondContact O-N 3.23Å
21T86.8Confident89.6Confident48 Ų4870.1 Ų70.129%0.29439%0.385SS..Hα-helixtrans-54.5-38.8-176.361.20000113.5S19 R25S19-T21 VanDerWaalsContact C-N 3.25Å; S19-T21 PolarHBondContact O-N 3.03Å; T21-R25 WeakPolarHBondContact O-CB 3.44Å; T21-R25 PolarHBondContact O-N 3.22Å
22H87.2Confident89.4Confident98 Ų9872 Ų7245%0.45438%0.384SS..Hα-helixtrans-71.3-43.7179.5-65.5-33.8000113.3F20 R25 L26F20-H22 VanDerWaalsContact C-N 3.26Å; F20-H22 PolarHBondContact O-N 3.41Å; F20-H22 VanDerWaalsContact O-N 3.17Å; H22-R25 PolarHBondContact O-N 3.26Å; H22-L26 WeakPolarHBondContact O-CG 3.33Å; H22-L26 PolarHBondContact O-N 2.8Å
23A89.8Confident89.1Confident39 Ų3970.9 Ų70.932%0.32238%0.378SS..Hα-helixtrans-67.6-43.6178.300000110.5L16 F20 R25 L26 V27L16-A23 HydrophobicContact CD1-CB 4.33Å; L16-A23 HydrophobicContact CD2-CB 3.95Å; F20-A23 HydrophobicContact CB-CB 4.15Å; F20-A23 PolarHBondContact O-N 3.42Å; A23-R25 VanDerWaalsContact C-N 3.28Å; A23-R25 PolarHBondContact O-N 3.08Å; A23-L26 PolarHBondContact O-N 2.72Å; A23-L26 VanDerWaalsContact O-N 3.11Å; A23-V27 WeakPolarHBondContact O-CG2 3.2Å; A23-V27 PolarHBondContact O-N 3.33Å
24L89.7Confident88.8Confident48 Ų4870.8 Ų70.825%0.25138%0.377SS..Hα-helixtrans-58-41.5175.5-170.563.6000111.8K13 L16 F20 N28K13-L24 HydrophobicContact CG-CD1 3.92Å; L16-L24 HydrophobicContact CD2-CB 3.7Å; L16-L24 HydrophobicContact CD2-CD1 4.2Å; F20-L24 WeakPolarHBondContact O-CB 3.48Å; F20-L24 PolarHBondContact O-N 3.23Å; L24-N28 WeakPolarHBondContact O-CB 3.47Å; L24-N28 PolarHBondContact O-N 3.1Å; L24-N28 PolarHBondContact O-ND2 3.03Å
25R87.8Confident88.2Confident40 Ų4070.4 Ų70.415%0.15137%0.371CS..Hα-helixtrans-63.1-44.6175.6-173.3-169.464.370.81.8112T21 H22 A23 N28 Q29T21-R25 WeakPolarHBondContact O-CB 3.44Å; T21-R25 PolarHBondContact O-N 3.22Å; H22-R25 PolarHBondContact O-N 3.26Å; A23-R25 VanDerWaalsContact C-N 3.28Å; A23-R25 PolarHBondContact O-N 3.08Å; R25-N28 PolarHBondContact O-N 3.28Å; R25-Q29 VanDerWaalsContact O-CB 3.32Å; R25-Q29 WeakPolarHBondContact O-CB 3.32Å; R25-Q29 PolarHBondContact O-N 2.96Å
26L90.2Very high87.5Confident93 Ų9371.9 Ų71.949%0.48737%0.365SS..Hα-helixtrans-65.7-43.1-179.7-71.5172.5000111.7H22 A23 Q29 E30H22-L26 WeakPolarHBondContact O-CG 3.33Å; H22-L26 PolarHBondContact O-N 2.8Å; A23-L26 PolarHBondContact O-N 2.72Å; A23-L26 VanDerWaalsContact O-N 3.11Å; L26-Q29 WeakPolarHBondContact O-CB 3.45Å; L26-Q29 PolarHBondContact O-N 2.9Å; L26-E30 PolarHBondContact O-N 3.34Å
27V91.5Very high86.3Confident17 Ų1772.7 Ų72.710%0.10338%0.384CS..Hα-helixtrans-61.2-46.7175.5174.20000110.6L9 K13 A23 Q29 E30 I31L9-V27 HydrophobicContact CB-CG1 4.46Å; L9-V27 HydrophobicContact CD2-CG1 4.33Å; L9-V27 WeakPolarHBondContact O-CG1 3.41Å; K13-V27 HydrophobicContact CB-CG1 3.86Å; A23-V27 WeakPolarHBondContact O-CG2 3.2Å; A23-V27 PolarHBondContact O-N 3.33Å; V27-Q29 VanDerWaalsContact C-N 3.34Å; V27-Q29 PolarHBondContact O-N 3.46Å; V27-E30 PolarHBondContact O-N 2.92Å; V27-I31 HydrophobicContact CG1-CD1 3.92Å; V27-I31 VanDerWaalsContact O-CG1 3.29Å; V27-I31 WeakPolarHBondContact O-CG1 3.39Å; V27-I31 PolarHBondContact O-N 3.4Å
28N89.3Confident84.7Confident43 Ų4375.3 Ų75.323%0.2339%0.394CS..Hα-helixtrans-61.5-41175.3-77.3-61.8000112.5K13 L24 R25 E30 I31 E32K13-N28 VanDerWaalsContact CD-OD1 3.29Å; K13-N28 WeakPolarHBondContact CD-OD1 3.46Å; K13-N28 WeakPolarHBondContact CE-OD1 3.35Å; K13-N28 PolarHBondContact NZ-OD1 3.09Å; L24-N28 WeakPolarHBondContact O-CB 3.47Å; L24-N28 PolarHBondContact O-N 3.1Å; L24-N28 PolarHBondContact O-ND2 3.03Å; R25-N28 PolarHBondContact O-N 3.28Å; N28-E30 VanDerWaalsContact C-N 3.3Å; N28-E30 PolarHBondContact O-N 3.5Å; N28-I31 PolarHBondContact O-N 3.13Å; N28-E32 PolarHBondContact O-N 2.97Å
29Q88.5Confident83.2Confident81 Ų8173.3 Ų73.338%0.37939%0.392SS..Hα-helixtrans-61.8-40.3176.5-178.9178.8-6.700111.2R25 L26 V27 E32 K33R25-Q29 VanDerWaalsContact O-CB 3.32Å; R25-Q29 WeakPolarHBondContact O-CB 3.32Å; R25-Q29 PolarHBondContact O-N 2.96Å; L26-Q29 WeakPolarHBondContact O-CB 3.45Å; L26-Q29 PolarHBondContact O-N 2.9Å; V27-Q29 VanDerWaalsContact C-N 3.34Å; V27-Q29 PolarHBondContact O-N 3.46Å; Q29-E32 PolarHBondContact O-N 3.34Å; Q29-K33 WeakPolarHBondContact O-CG 3.38Å; Q29-K33 PolarHBondContact O-N 2.86Å
30E89.1Confident81.3Confident54 Ų5478.6 Ų78.625%0.25241%0.405SS..Hα-helixtrans-68.7-45.9178-157.662.6-16400111.1Y5 L9 L26 V27 N28 E32 K33 F34Y5-E30 HydrophobicContact CE1-CG 4.47Å; L9-E30 HydrophobicContact CD1-CB 4.19Å; L9-E30 HydrophobicContact CD1-CG 3.97Å; L26-E30 PolarHBondContact O-N 3.34Å; V27-E30 PolarHBondContact O-N 2.92Å; N28-E30 VanDerWaalsContact C-N 3.3Å; N28-E30 PolarHBondContact O-N 3.5Å; E30-E32 VanDerWaalsContact C-N 3.26Å; E30-E32 PolarHBondContact O-N 3.37Å; E30-K33 WeakPolarHBondContact O-CB 3.26Å; E30-K33 PolarHBondContact O-N 3.04Å; E30-K33 VanDerWaalsContact O-N 3.09Å; E30-K33 WeakPolarHBondContact OE2-CD 3.36Å; E30-K33 IonicContact OE2-NZ 2.72Å; E30-K33 PolarHBondContact OE2-NZ 3.33Å; E30-F34 HydrophobicContact CG-CD2 4.12Å; E30-F34 HydrophobicContact CG-CE2 4Å; E30-F34 WeakPolarHBondContact O-CD2 3.29Å; E30-F34 PolarHBondContact O-N 3.29Å; E30-F34 WeakPolarHBondContact OE1-CE2 2.97Å
31I88.7Confident79.5Confident11 Ų1178.5 Ų78.56%0.05641%0.41CS..Hα-helixtrans-52.8-46172.4-68.7166.9000110.9L6 L9 M10 K13 V27 N28 F34 Q35L6-I31 HydrophobicContact CD1-CB 4.44Å; L6-I31 HydrophobicContact CD1-CG1 4.36Å; L6-I31 HydrophobicContact CD1-CG2 4.1Å; L9-I31 HydrophobicContact CB-CD1 4.14Å; L9-I31 HydrophobicContact CB-CG1 3.68Å; L9-I31 HydrophobicContact CD1-CG1 4.2Å; M10-I31 HydrophobicContact CG-CD1 4.31Å; K13-I31 HydrophobicContact CB-CD1 4.32Å; K13-I31 HydrophobicContact CD-CD1 4.01Å; V27-I31 HydrophobicContact CG1-CD1 3.92Å; V27-I31 VanDerWaalsContact O-CG1 3.29Å; V27-I31 WeakPolarHBondContact O-CG1 3.39Å; V27-I31 PolarHBondContact O-N 3.4Å; N28-I31 PolarHBondContact O-N 3.13Å; I31-F34 PolarHBondContact O-N 3.3Å; I31-Q35 HydrophobicContact CG2-CG 4.35Å; I31-Q35 WeakPolarHBondContact O-CB 3.48Å; I31-Q35 VanDerWaalsContact O-CG 3.3Å; I31-Q35 WeakPolarHBondContact O-CG 3.3Å; I31-Q35 PolarHBondContact O-N 3.37Å
32E87.6Confident78.2Confident99 Ų9984 Ų8446%0.46343%0.433SS..Hα-helixtrans-63.1-41.4177.9-82.3-168.5-151.700113N28 Q29 E30 F34 Q35 K36N28-E32 PolarHBondContact O-N 2.97Å; Q29-E32 PolarHBondContact O-N 3.34Å; E30-E32 VanDerWaalsContact C-N 3.26Å; E30-E32 PolarHBondContact O-N 3.37Å; E32-F34 VanDerWaalsContact C-N 3.34Å; E32-F34 PolarHBondContact O-N 2.94Å; E32-Q35 PolarHBondContact O-N 2.85Å; E32-K36 VanDerWaalsContact O-CB 3.32Å; E32-K36 WeakPolarHBondContact O-CB 3.48Å; E32-K36 WeakPolarHBondContact O-CG 3.29Å; E32-K36 PolarHBondContact O-N 2.98Å; E32-K36 IonicContact OE2-NZ 3.86Å; E32-K36 PolarHBondContact OE2-NZ 2.86Å
33K85.6Confident77Confident78 Ų7885.1 Ų85.134%0.33944%0.438SS..Hα-helixtrans-60.9-44.5176.5-73.1175.7-169.81650111.4Q29 E30 K36 G37 E38Q29-K33 WeakPolarHBondContact O-CG 3.38Å; Q29-K33 PolarHBondContact O-N 2.86Å; E30-K33 WeakPolarHBondContact O-CB 3.26Å; E30-K33 PolarHBondContact O-N 3.04Å; E30-K33 VanDerWaalsContact O-N 3.09Å; E30-K33 WeakPolarHBondContact OE2-CD 3.36Å; E30-K33 IonicContact OE2-NZ 2.72Å; E30-K33 PolarHBondContact OE2-NZ 3.33Å; K33-K36 PolarHBondContact O-N 3.37Å; K33-G37 PolarHBondContact O-N 2.97Å; K33-G37 VanDerWaalsContact O-N 3.1Å; K33-E38 PolarHBondContact O-N 2.87Å
34F82.4Confident76.1Confident77 Ų7790.3 Ų90.334%0.33845%0.453SS..Hα-helixtrans-64.7-41.7177.2-86.5-86.9000111.8E2 Y5 L6 L9 E30 I31 E32 G37E2-F34 HydrophobicContact CG-CE1 4.46Å; Y5-F34 HydrophobicContact CD1-CD2 4.29Å; Y5-F34 AromaticContact CD1-CE1 3.87Å; Y5-F34 HydrophobicContact CD1-CE1 3.87Å; Y5-F34 AromaticContact CD1-CE2 3.65Å; Y5-F34 HydrophobicContact CD1-CE2 3.65Å; Y5-F34 AromaticContact CD1-CZ 3.39Å; Y5-F34 HydrophobicContact CD1-CZ 3.39Å; Y5-F34 HydrophobicContact CE1-CD2 4.13Å; Y5-F34 HydrophobicContact CE1-CE1 4.36Å; Y5-F34 AromaticContact CE1-CE2 3.32Å; Y5-F34 HydrophobicContact CE1-CE2 3.32Å; Y5-F34 AromaticContact CE1-CZ 3.44Å; Y5-F34 HydrophobicContact CE1-CZ 3.44Å; Y5-F34 VanDerWaalsContact CE1-CZ 3.44Å; L6-F34 HydrophobicContact CD1-CB 4.13Å; L9-F34 HydrophobicContact CD1-CD2 4.39Å; E30-F34 HydrophobicContact CG-CD2 4.12Å; E30-F34 HydrophobicContact CG-CE2 4Å; E30-F34 WeakPolarHBondContact O-CD2 3.29Å; E30-F34 PolarHBondContact O-N 3.29Å; E30-F34 WeakPolarHBondContact OE1-CE2 2.97Å; I31-F34 PolarHBondContact O-N 3.3Å; E32-F34 VanDerWaalsContact C-N 3.34Å; E32-F34 PolarHBondContact O-N 2.94Å; F34-G37 PolarHBondContact O-N 2.94Å
35Q80.4Confident75.8Confident126 Ų12697.7 Ų97.759%0.58948%0.479SS*.Hα-helixtrans-68.6-36.2177.8-74178.62.700113.3I31 E32 G37I31-Q35 HydrophobicContact CG2-CG 4.35Å; I31-Q35 WeakPolarHBondContact O-CB 3.48Å; I31-Q35 VanDerWaalsContact O-CG 3.3Å; I31-Q35 WeakPolarHBondContact O-CG 3.3Å; I31-Q35 PolarHBondContact O-N 3.37Å; E32-Q35 PolarHBondContact O-N 2.85Å; Q35-G37 VanDerWaalsContact C-N 3.27Å
36K77.3Confident75.8Confident127 Ų12799 Ų9955%0.55249%0.489SS*.Hα-helixtrans-78.7-10.8177.6-72.8170.8178160.30113E32 K33 E38E32-K36 VanDerWaalsContact O-CB 3.32Å; E32-K36 WeakPolarHBondContact O-CB 3.48Å; E32-K36 WeakPolarHBondContact O-CG 3.29Å; E32-K36 PolarHBondContact O-N 2.98Å; E32-K36 IonicContact OE2-NZ 3.86Å; E32-K36 PolarHBondContact OE2-NZ 2.86Å; K33-K36 PolarHBondContact O-N 3.37Å; K36-E38 HydrophobicContact CB-CB 4.36Å; K36-E38 HydrophobicContact CB-CG 3.99Å; K36-E38 PolarHBondContact O-N 2.69Å
37G66.5Low75.8Confident61 Ų6197.7 Ų97.763%0.62948%0.482SS*.THydrogen-bonded Turntrans62.320.4-172.900000112.7K33 F34 Q35 G39K33-G37 PolarHBondContact O-N 2.97Å; K33-G37 VanDerWaalsContact O-N 3.1Å; F34-G37 PolarHBondContact O-N 2.94Å; Q35-G37 VanDerWaalsContact C-N 3.27Å; G37-G39 PolarHBondContact O-N 3.04Å
38E58Low75.6Confident140 Ų140102.3 Ų102.365%0.65451%0.51SS*.  trans-77.851.7177.7-78.9-176.2161.100110.4K33 K36K33-E38 PolarHBondContact O-N 2.87Å; K36-E38 HydrophobicContact CB-CB 4.36Å; K36-E38 HydrophobicContact CB-CG 3.99Å; K36-E38 PolarHBondContact O-N 2.69Å
39G53.5Low75.7Confident58 Ų58107 Ų10760%0.59854%0.54SS*.  trans-122.652.6179.400000110.5G37G37-G39 PolarHBondContact O-N 3.04Å
40K49.8Very low75.8Confident188 Ų188108.8 Ų108.882%0.81755%0.551SS**SBendtrans174.9136.9150-99154.3-174178.40111.4
41D51Low75.9Confident122 Ų122109.8 Ų109.865%0.65256%0.558SS**  trans62.789.8164.1-52.8-38.2000114.3E43D41-E43 PolarHBondContact O-N 3.43Å
42E57.6Low76.1Confident164 Ų164113.3 Ų113.377%0.76657%0.573SS**  trans-30.6126.5134.5-67.1177158.500107.4K44E42-K44 PolarHBondContact O-N 3.46Å
43E62.1Low76.3Confident122 Ų122112.1 Ų112.157%0.5757%0.57SS**  trans-59.278.5178.8-64.1-175.3151.800109.5D41 Y45 K52D41-E43 PolarHBondContact O-N 3.43Å; E43-Y45 PolarHBondContact O-N 3.22Å; E43-K52 IonicContact OE1-NZ 2.64Å; E43-K52 PolarHBondContact OE1-NZ 2.84Å; E43-K52 VanDerWaalsContact OE2-CE 3.24Å; E43-K52 WeakPolarHBondContact OE2-CE 3.35Å; E43-K52 IonicContact OE2-NZ 3.67Å; E43-K52 PolarHBondContact OE2-NZ 2.89Å; E43-K52 VanDerWaalsContact OE2-NZ 3.12Å
44K72.3Confident76.7Confident147 Ų147109.8 Ų109.864%0.63956%0.56SS**  trans-66.7-22.8-173.6-86178.1-179.7171.40111E42E42-K44 PolarHBondContact O-N 3.46Å
45Y82.6Confident77.2Confident203 Ų203112.7 Ų112.780%0.79657%0.573SS**SBendtrans-114.3126.7-179.5-58.7-78.7000109.8E43E43-Y45 PolarHBondContact O-N 3.22Å
46I88Confident77.9Confident68 Ų68107.9 Ų107.935%0.34955%0.551SS.*  trans-90.4117173.2-64.3172.1000107.1V48 M54 P137 Y141I46-V48 HydrophobicContact CG2-CG2 4.3Å; I46-V48 PolarHBondContact O-N 2.86Å; I46-M54 HydrophobicContact CD1-CE 3.92Å; I46-M54 HydrophobicContact CD1-SD 3.74Å; I46-M54 HydrophobicContact CG1-CE 4.38Å; I46-M54 HydrophobicContact CG1-SD 4.35Å; I46-P137 HydrophobicContact CD1-CB 4.2Å; I46-P137 HydrophobicContact CG2-CB 3.66Å; I46-P137 HydrophobicContact CG2-CG 3.21Å; I46-Y141 HydrophobicContact CD1-CE2 4.41Å
47D89.6Confident78.7Confident66 Ų66104.5 Ų104.535%0.35355%0.552SS.*  trans-79.3101.5169.1-172.3-27.6000109.3V49 I50 N51D47-V49 VanDerWaalsContact C-N 3.27Å; D47-V49 PolarHBondContact O-N 3.41Å; D47-V49 WeakPolarHBondContact OD1-CA 3.29Å; D47-V49 WeakPolarHBondContact OD1-CB 3.33Å; D47-V49 PolarHBondContact OD1-N 2.94Å; D47-I50 HydrophobicContact CB-CB 4.31Å; D47-I50 HydrophobicContact CB-CD1 4.46Å; D47-I50 HydrophobicContact CB-CG1 4.49Å; D47-I50 PolarHBondContact OD1-N 2.92Å; D47-I50 WeakPolarHBondContact OD2-CD1 3.4Å; D47-I50 VanDerWaalsContact OD2-CG1 3.32Å; D47-I50 WeakPolarHBondContact OD2-CG1 3.35Å; D47-N51 PolarHBondContact O-N 3.35Å
48V88.6Confident80.2Confident113 Ų113106 Ų10669%0.68554%0.542SS*.THydrogen-bonded Turntrans-71.4-22.6-178.5-175.40000112I46I46-V48 HydrophobicContact CG2-CG2 4.3Å; I46-V48 PolarHBondContact O-N 2.86Å
49V91.6Very high82Confident141 Ų141104.7 Ų104.786%0.85553%0.534SS*.THydrogen-bonded Turntrans-76.7-44.9179.9-179.10000110.3D47 N51D47-V49 VanDerWaalsContact C-N 3.27Å; D47-V49 PolarHBondContact O-N 3.41Å; D47-V49 WeakPolarHBondContact OD1-CA 3.29Å; D47-V49 WeakPolarHBondContact OD1-CB 3.33Å; D47-V49 PolarHBondContact OD1-N 2.94Å; V49-N51 VanDerWaalsContact C-N 3.32Å
50I90.5Very high84.1Confident120 Ų120103.1 Ų103.162%0.61551%0.513SS*.THydrogen-bonded Turntrans-71.8-32.8175-61.6178.2000110.5D47 K52D47-I50 HydrophobicContact CB-CB 4.31Å; D47-I50 HydrophobicContact CB-CD1 4.46Å; D47-I50 HydrophobicContact CB-CG1 4.49Å; D47-I50 PolarHBondContact OD1-N 2.92Å; D47-I50 WeakPolarHBondContact OD2-CD1 3.4Å; D47-I50 VanDerWaalsContact OD2-CG1 3.32Å; D47-I50 WeakPolarHBondContact OD2-CG1 3.35Å; I50-K52 HydrophobicContact CG2-CB 4.2Å; I50-K52 PolarHBondContact O-N 3.43Å
51N90.2Very high86.3Confident74 Ų7499.9 Ų99.940%0.39650%0.504SS..THydrogen-bonded Turntrans51.740.9178.8-161.632.7000112.8D47 V49 P137D47-N51 PolarHBondContact O-N 3.35Å; V49-N51 VanDerWaalsContact C-N 3.32Å; N51-P137 WeakPolarHBondContact OD1-CD 3.5Å
52K92.9Very high88.5Confident85 Ų8594.4 Ų94.437%0.3748%0.475SS..  trans-61.9146.3178.264.4178.6179.1-179.40110.5E43 I50 M54 P137E43-K52 IonicContact OE1-NZ 2.64Å; E43-K52 PolarHBondContact OE1-NZ 2.84Å; E43-K52 VanDerWaalsContact OE2-CE 3.24Å; E43-K52 WeakPolarHBondContact OE2-CE 3.35Å; E43-K52 IonicContact OE2-NZ 3.67Å; E43-K52 PolarHBondContact OE2-NZ 2.89Å; E43-K52 VanDerWaalsContact OE2-NZ 3.12Å; I50-K52 HydrophobicContact CG2-CB 4.2Å; I50-K52 PolarHBondContact O-N 3.43Å; K52-M54 PolarHBondContact O-N 2.97Å; K52-P137 VanDerWaalsContact O-CD 3.32Å; K52-P137 WeakPolarHBondContact O-CD 3.46Å
53N92.6Very high90.3Very high75 Ų7588 Ų8840%0.40145%0.447SS..  trans-61.1133.9173.6-72.428.1000110.2F134 A135N53-F134 HydrophobicContact CB-CD2 4.22Å; N53-F134 HydrophobicContact CB-CE1 4Å; N53-F134 HydrophobicContact CB-CE2 3.62Å; N53-F134 HydrophobicContact CB-CZ 3.5Å; N53-F134 WeakPolarHBondContact ND2-CE1 3.34Å; N53-A135 WeakPolarHBondContact CA-O 3.32Å
54M92.5Very high91.8Very high29 Ų2984.7 Ų84.714%0.14344%0.435CS..EExtended strand (participates in β ladder)trans-113.9156.117470.7177.2-56.200110.5I46 K52 L56 A135 P137 A140 Y141I46-M54 HydrophobicContact CD1-CE 3.92Å; I46-M54 HydrophobicContact CD1-SD 3.74Å; I46-M54 HydrophobicContact CG1-CE 4.38Å; I46-M54 HydrophobicContact CG1-SD 4.35Å; K52-M54 PolarHBondContact O-N 2.97Å; M54-L56 HydrophobicContact CE-CD2 3.62Å; M54-L56 HydrophobicContact CE-CG 4.22Å; M54-L56 HydrophobicContact SD-CD2 4.44Å; M54-A135 PolarHBondContact N-O 3.38Å; M54-A135 PolarHBondContact O-N 2.63Å; M54-P137 HydrophobicContact CG-CG 4.3Å; M54-P137 HydrophobicContact SD-CB 3.78Å; M54-P137 HydrophobicContact SD-CG 3.92Å; M54-A140 HydrophobicContact CG-CB 4.17Å; M54-Y141 HydrophobicContact SD-CE2 4.23Å
55K93.8Very high92.7Very high138 Ų13885.4 Ų85.460%0.644%0.439SS*.EExtended strand (participates in β ladder)trans-101.6119.9174.9-170.8-178.9179.3-1720109.8E132 V133K55-E132 WeakPolarHBondContact CE-OE1 3.35Å; K55-E132 IonicContact NZ-OE1 3.6Å; K55-E132 PolarHBondContact NZ-OE1 3.25Å; K55-V133 WeakPolarHBondContact CA-O 3.3Å
56L94.1Very high93.3Very high25 Ų2582.7 Ų82.713%0.13143%0.433CS..EExtended strand (participates in β ladder)trans-106.1140.9169.4-67.5177.9000109.7M54 E132 V133 A140 Y141 M144M54-L56 HydrophobicContact CE-CD2 3.62Å; M54-L56 HydrophobicContact CE-CG 4.22Å; M54-L56 HydrophobicContact SD-CD2 4.44Å; L56-E132 CarbonylContact O-C 3.54Å; L56-E132 VanDerWaalsContact O-CA 3.29Å; L56-E132 WeakPolarHBondContact O-CA 3.26Å; L56-V133 HydrophobicContact CB-CB 4.44Å; L56-V133 PolarHBondContact N-O 2.99Å; L56-V133 PolarHBondContact O-N 3.3Å; L56-A140 HydrophobicContact CD1-CB 3.64Å; L56-A140 HydrophobicContact CG-CB 4.19Å; L56-Y141 HydrophobicContact CD1-CD1 3.76Å; L56-Y141 HydrophobicContact CD1-CD2 4.16Å; L56-Y141 HydrophobicContact CD1-CE1 3.84Å; L56-Y141 HydrophobicContact CD1-CE2 4.22Å; L56-Y141 HydrophobicContact CD1-CG 3.92Å; L56-Y141 HydrophobicContact CD2-CE1 4.18Å; L56-M144 HydrophobicContact CB-CE 3.85Å
57G95.4Very high93.5Very high55 Ų5583.7 Ų83.757%0.56744%0.435SS*.EExtended strand (participates in β ladder)trans-135.7122.7177.500000110.7I131G57-I131 CarbonylContact C-O 3.57Å; G57-I131 WeakPolarHBondContact CA-O 3.49Å
58Q96.9Very high93.6Very high92 Ų9285.4 Ų85.443%0.4345%0.45SS..EExtended strand (participates in β ladder)trans-123.9129.1176.1-177.158.260.900110.5V60 I131 M144 L148Q58-V60 HydrophobicContact CG-CG2 4.32Å; Q58-I131 PolarHBondContact N-O 2.98Å; Q58-I131 PolarHBondContact O-N 3.02Å; Q58-M144 HydrophobicContact CB-CE 3.95Å; Q58-M144 HydrophobicContact CB-SD 3.71Å; Q58-L148 HydrophobicContact CG-CD2 4.29Å
59K97Very high93.6Very high113 Ų11390.2 Ų90.249%0.49146%0.462SS..EExtended strand (participates in β ladder)trans-89.9127170.4-65.5-174.9177.3-173.20109.5D125 L130K59-D125 IonicContact NZ-OD2 2.84Å; K59-D125 PolarHBondContact NZ-OD2 3.33Å; K59-L130 HydrophobicContact CG-CD1 4Å
60V96.8Very high93.6Very high25 Ų2586.3 Ų86.315%0.15243%0.433CS..EExtended strand (participates in β ladder)trans-115.9117.7177.6-175.70000109.1Q58 H128 V129 I131 L148 L155Q58-V60 HydrophobicContact CG-CG2 4.32Å; V60-H128 CarbonylContact O-C 3.58Å; V60-H128 WeakPolarHBondContact O-CA 3.46Å; V60-H128 VanDerWaalsContact O-CB 3.26Å; V60-H128 WeakPolarHBondContact O-CB 3.37Å; V60-V129 PolarHBondContact N-O 3.19Å; V60-V129 PolarHBondContact O-N 3.14Å; V60-I131 HydrophobicContact CG2-CD1 3.98Å; V60-I131 HydrophobicContact CG2-CG1 4.49Å; V60-L148 HydrophobicContact CG2-CD2 3.48Å; V60-L148 VanDerWaalsContact CG2-CD2 3.48Å; V60-L155 HydrophobicContact CG1-CD1 3.64Å
61L96.8Very high93.7Very high120 Ų12085.9 Ų85.963%0.62843%0.432SS*.EExtended strand (participates in β ladder)trans-70.4138.2-179.8-73.4169.3000111.6D126 H128L61-D126 HydrophobicContact CD2-CB 4.05Å; L61-H128 HydrophobicContact CD2-CB 4.4Å
62I96Very high93.9Very high8 Ų882.4 Ų82.44%0.04141%0.414CS..  trans-91127.1172.3-56.9-166.7000108.9V64 F72 L76 L127 V129 L155I62-V64 HydrophobicContact CB-CG1 4.5Å; I62-V64 HydrophobicContact CG2-CG1 3.86Å; I62-V64 PolarHBondContact O-N 3.13Å; I62-F72 HydrophobicContact CG2-CB 3.41Å; I62-F72 VanDerWaalsContact CG2-CB 3.41Å; I62-F72 HydrophobicContact CG2-CD1 4.08Å; I62-F72 HydrophobicContact CG2-CD2 3.52Å; I62-F72 HydrophobicContact CG2-CE2 4.31Å; I62-F72 HydrophobicContact CG2-CG 3.38Å; I62-L76 HydrophobicContact CD1-CD1 3.79Å; I62-L127 HydrophobicContact CB-CB 4.5Å; I62-L127 HydrophobicContact CB-CD2 4.02Å; I62-L127 HydrophobicContact CB-CG 4.12Å; I62-L127 HydrophobicContact CD1-CD2 3.94Å; I62-L127 HydrophobicContact CD1-CG 3.89Å; I62-L127 HydrophobicContact CG1-CD2 4.42Å; I62-L127 HydrophobicContact CG1-CG 4.23Å; I62-L127 HydrophobicContact CG2-CD2 4.04Å; I62-L127 PolarHBondContact N-O 3.44Å; I62-V129 HydrophobicContact CD1-CG2 3.85Å; I62-V129 HydrophobicContact CG1-CG2 4.18Å; I62-L155 HydrophobicContact CB-CD2 4.36Å; I62-L155 HydrophobicContact CD1-CD2 4.35Å; I62-L155 HydrophobicContact CG1-CD2 3.94Å; I62-L155 HydrophobicContact CG2-CD2 4.1Å
63P95.1Very high94Very high28 Ų2879.6 Ų79.618%0.18240%0.403CS..  trans-77.549.5-172.732.5-36.1000113.7K65 Q66 F67 F72 L155P63-K65 PolarHBondContact O-N 3.48Å; P63-Q66 HydrophobicContact CB-CB 4.33Å; P63-Q66 HydrophobicContact CB-CG 4.48Å; P63-Q66 PolarHBondContact O-N 3.27Å; P63-Q66 VanDerWaalsContact O-N 3.13Å; P63-F67 HydrophobicContact CB-CD2 4.33Å; P63-F67 HydrophobicContact CG-CD2 4.32Å; P63-F67 PolarHBondContact O-N 2.99Å; P63-F72 HydrophobicContact CG-CE1 4.09Å; P63-F72 HydrophobicContact CG-CE2 4.38Å; P63-F72 HydrophobicContact CG-CZ 3.81Å; P63-L155 WeakPolarHBondContact CG-O 3.37Å
64V94.3Very high94.1Very high53 Ų5377.4 Ų77.432%0.32140%0.399SS..THydrogen-bonded Turntrans-63.8-26177.3-65.80000113.3I62 F67 P68 F72 L127I62-V64 HydrophobicContact CB-CG1 4.5Å; I62-V64 HydrophobicContact CG2-CG1 3.86Å; I62-V64 PolarHBondContact O-N 3.13Å; V64-F67 CarbonylContact O-C 3.52Å; V64-P68 WeakPolarHBondContact O-CA 3.24Å; V64-F72 HydrophobicContact CG1-CD2 3.97Å; V64-F72 HydrophobicContact CG1-CE2 4.44Å; V64-L127 HydrophobicContact CG1-CD2 3.58Å
65K92.3Very high94.2Very high162 Ų16276.6 Ų76.670%0.70439%0.394SS*.THydrogen-bonded Turntrans-69.7-35.2175.6-64178.9-174.11670111.4P63 D126P63-K65 PolarHBondContact O-N 3.48Å; K65-D126 WeakPolarHBondContact CE-OD2 3.25Å; K65-D126 IonicContact NZ-OD1 3.4Å; K65-D126 IonicContact NZ-OD2 2.66Å; K65-D126 PolarHBondContact NZ-OD2 3.49Å
66Q93.5Very high94.2Very high146 Ų14670 Ų7068%0.68237%0.366SS*.THydrogen-bonded Turntrans-82.9-40.3179.9-61.7171.69.100111.1P63 P68P63-Q66 HydrophobicContact CB-CB 4.33Å; P63-Q66 HydrophobicContact CB-CG 4.48Å; P63-Q66 PolarHBondContact O-N 3.27Å; P63-Q66 VanDerWaalsContact O-N 3.13Å; Q66-P68 VanDerWaalsContact C-CD 3.46Å; Q66-P68 WeakPolarHBondContact O-CD 3.32Å
67F92.4Very high94.3Very high89 Ų8972 Ų7239%0.3938%0.376SS..  trans-122.769.9-178.4-55.7-78.6000111.8P63 V64 K69 F70 F72 P157P63-F67 HydrophobicContact CB-CD2 4.33Å; P63-F67 HydrophobicContact CG-CD2 4.32Å; P63-F67 PolarHBondContact O-N 2.99Å; V64-F67 CarbonylContact O-C 3.52Å; F67-K69 PolarHBondContact O-N 3.31Å; F67-F70 HydrophobicContact CB-CB 4.04Å; F67-F70 PolarHBondContact O-N 2.91Å; F67-F72 HydrophobicContact CB-CE2 3.89Å; F67-F72 HydrophobicContact CB-CZ 3.75Å; F67-F72 HydrophobicContact CD2-CZ 4.02Å; F67-F72 HydrophobicContact CG-CZ 4.24Å; F67-P157 HydrophobicContact CB-CG 4.41Å; F67-P157 HydrophobicContact CD1-CG 4.11Å; F67-P157 HydrophobicContact CD2-CG 4.15Å; F67-P157 HydrophobicContact CE1-CG 4.42Å; F67-P157 HydrophobicContact CE2-CG 4.46Å; F67-P157 HydrophobicContact CG-CG 3.96Å
68P91.5Very high94.2Very high103 Ų10370.1 Ų70.167%0.66936%0.357SS*.THydrogen-bonded Turntrans-68.2-19.6-17226.6-36.1000114.5V64 Q66V64-P68 WeakPolarHBondContact O-CA 3.24Å; Q66-P68 VanDerWaalsContact C-CD 3.46Å; Q66-P68 WeakPolarHBondContact O-CD 3.32Å
69K90Very high94Very high213 Ų21366.4 Ų66.493%0.92634%0.341SS*.THydrogen-bonded Turntrans-89.9-10.4179.4-63.5-178.5-179.1176.70113.1F67F67-K69 PolarHBondContact O-N 3.31Å
70F91.9Very high93.7Very high59 Ų5970.1 Ų70.126%0.25935%0.352SS..SBendtrans-90.5135-176.1-171.8-94.4000111.2F67 F72 K75 P157F67-F70 HydrophobicContact CB-CB 4.04Å; F67-F70 PolarHBondContact O-N 2.91Å; F70-F72 HydrophobicContact CB-CE2 4.02Å; F70-F72 HydrophobicContact CB-CZ 4.13Å; F70-F72 HydrophobicContact CD1-CB 4.42Å; F70-F72 AromaticContact CD1-CD1 3.36Å; F70-F72 HydrophobicContact CD1-CD1 3.36Å; F70-F72 AromaticContact CD1-CD2 3.78Å; F70-F72 HydrophobicContact CD1-CD2 3.78Å; F70-F72 AromaticContact CD1-CE1 3.27Å; F70-F72 HydrophobicContact CD1-CE1 3.27Å; F70-F72 AromaticContact CD1-CE2 3.74Å; F70-F72 HydrophobicContact CD1-CE2 3.74Å; F70-F72 AromaticContact CD1-CG 3.6Å; F70-F72 HydrophobicContact CD1-CG 3.6Å; F70-F72 AromaticContact CD1-CZ 3.49Å; F70-F72 HydrophobicContact CD1-CZ 3.49Å; F70-F72 VanDerWaalsContact CD1-CZ 3.49Å; F70-F72 AromaticContact CE1-CD1 3.45Å; F70-F72 HydrophobicContact CE1-CD1 3.45Å; F70-F72 VanDerWaalsContact CE1-CD1 3.45Å; F70-F72 AromaticContact CE1-CE1 3.54Å; F70-F72 HydrophobicContact CE1-CE1 3.54Å; F70-F72 HydrophobicContact CE1-CG 4.02Å; F70-F72 HydrophobicContact CE1-CZ 4.22Å; F70-F72 HydrophobicContact CG-CE1 4.27Å; F70-F72 HydrophobicContact CG-CE2 4.34Å; F70-F72 HydrophobicContact CG-CZ 4.13Å; F70-F72 PolarHBondContact O-N 2.96Å; F70-K75 HydrophobicContact CE1-CB 4.5Å; F70-K75 HydrophobicContact CE1-CD 3.99Å; F70-K75 HydrophobicContact CZ-CD 3.58Å; F70-P157 HydrophobicContact CB-CG 4.46Å; F70-P157 HydrophobicContact CD1-CG 4.13Å; F70-P157 HydrophobicContact CD2-CB 3.88Å; F70-P157 HydrophobicContact CD2-CG 4Å; F70-P157 HydrophobicContact CE1-CG 4.3Å; F70-P157 HydrophobicContact CE2-CB 3.81Å; F70-P157 HydrophobicContact CE2-CG 4.2Å; F70-P157 HydrophobicContact CG-CB 4.34Å; F70-P157 HydrophobicContact CG-CG 3.93Å; F70-P157 HydrophobicContact CZ-CB 4.2Å; F70-P157 HydrophobicContact CZ-CG 4.32Å
71N92.3Very high93.5Very high111 Ų11170 Ų7059%0.59436%0.356SS*.  trans-92.680.4-179.7-172.50.1000111.6G74 K75N71-G74 PolarHBondContact OD1-N 3.33Å; N71-K75 PolarHBondContact O-N 2.88Å; N71-K75 VanDerWaalsContact O-N 3.12Å
72F94.7Very high93.4Very high2 Ų266.2 Ų66.21%0.00934%0.336CS..Hα-helixtrans-60.8-45.1177.9-66.5-75.1000113.1I62 P63 V64 F67 F70 G74 K75 L76 L155 P157I62-F72 HydrophobicContact CG2-CB 3.41Å; I62-F72 VanDerWaalsContact CG2-CB 3.41Å; I62-F72 HydrophobicContact CG2-CD1 4.08Å; I62-F72 HydrophobicContact CG2-CD2 3.52Å; I62-F72 HydrophobicContact CG2-CE2 4.31Å; I62-F72 HydrophobicContact CG2-CG 3.38Å; P63-F72 HydrophobicContact CG-CE1 4.09Å; P63-F72 HydrophobicContact CG-CE2 4.38Å; P63-F72 HydrophobicContact CG-CZ 3.81Å; V64-F72 HydrophobicContact CG1-CD2 3.97Å; V64-F72 HydrophobicContact CG1-CE2 4.44Å; F67-F72 HydrophobicContact CB-CE2 3.89Å; F67-F72 HydrophobicContact CB-CZ 3.75Å; F67-F72 HydrophobicContact CD2-CZ 4.02Å; F67-F72 HydrophobicContact CG-CZ 4.24Å; F70-F72 HydrophobicContact CB-CE2 4.02Å; F70-F72 HydrophobicContact CB-CZ 4.13Å; F70-F72 HydrophobicContact CD1-CB 4.42Å; F70-F72 AromaticContact CD1-CD1 3.36Å; F70-F72 HydrophobicContact CD1-CD1 3.36Å; F70-F72 AromaticContact CD1-CD2 3.78Å; F70-F72 HydrophobicContact CD1-CD2 3.78Å; F70-F72 AromaticContact CD1-CE1 3.27Å; F70-F72 HydrophobicContact CD1-CE1 3.27Å; F70-F72 AromaticContact CD1-CE2 3.74Å; F70-F72 HydrophobicContact CD1-CE2 3.74Å; F70-F72 AromaticContact CD1-CG 3.6Å; F70-F72 HydrophobicContact CD1-CG 3.6Å; F70-F72 AromaticContact CD1-CZ 3.49Å; F70-F72 HydrophobicContact CD1-CZ 3.49Å; F70-F72 VanDerWaalsContact CD1-CZ 3.49Å; F70-F72 AromaticContact CE1-CD1 3.45Å; F70-F72 HydrophobicContact CE1-CD1 3.45Å; F70-F72 VanDerWaalsContact CE1-CD1 3.45Å; F70-F72 AromaticContact CE1-CE1 3.54Å; F70-F72 HydrophobicContact CE1-CE1 3.54Å; F70-F72 HydrophobicContact CE1-CG 4.02Å; F70-F72 HydrophobicContact CE1-CZ 4.22Å; F70-F72 HydrophobicContact CG-CE1 4.27Å; F70-F72 HydrophobicContact CG-CE2 4.34Å; F70-F72 HydrophobicContact CG-CZ 4.13Å; F70-F72 PolarHBondContact O-N 2.96Å; F72-G74 VanDerWaalsContact C-N 3.33Å; F72-G74 PolarHBondContact O-N 2.64Å; F72-K75 PolarHBondContact O-N 2.79Å; F72-L76 WeakPolarHBondContact O-CB 3.47Å; F72-L76 WeakPolarHBondContact O-CG 3.13Å; F72-L76 PolarHBondContact O-N 3.17Å; F72-L155 HydrophobicContact CD1-CD2 4.31Å; F72-L155 WeakPolarHBondContact CE1-O 3.08Å; F72-P157 HydrophobicContact CE1-CG 4.07Å; F72-P157 HydrophobicContact CZ-CG 4.04Å
73V94.5Very high93.3Very high25 Ų2566.4 Ų66.415%0.15234%0.338CS..Hα-helixtrans-62.9-42.1-177.3179.90000110.7L76 L77 I97 L127V73-L76 PolarHBondContact O-N 2.78Å; V73-L77 HydrophobicContact CG1-CD1 3.81Å; V73-L77 WeakPolarHBondContact O-CB 3.48Å; V73-L77 WeakPolarHBondContact O-CG 3.34Å; V73-L77 PolarHBondContact O-N 2.92Å; V73-I97 HydrophobicContact CG1-CD1 4.11Å; V73-I97 HydrophobicContact CG2-CG2 4.26Å; V73-L127 HydrophobicContact CG2-CD1 4.32Å; V73-L127 HydrophobicContact CG2-CD2 3.95Å
74G94.1Very high93.4Very high29 Ų2965.8 Ų65.830%0.29933%0.333SS..Hα-helixtrans-62.2-44.8174.900000112.7N71 F72 G78N71-G74 PolarHBondContact OD1-N 3.33Å; F72-G74 VanDerWaalsContact C-N 3.33Å; F72-G74 PolarHBondContact O-N 2.64Å; G74-G78 PolarHBondContact O-N 3.1Å
75K93.9Very high93.5Very high13 Ų1368.8 Ų68.86%0.05734%0.342CS..Hα-helixtrans-66-37.5176.3-178.9175.2174-176.30112.4F70 N71 F72 K153 F154 D161 I163 Q167F70-K75 HydrophobicContact CE1-CB 4.5Å; F70-K75 HydrophobicContact CE1-CD 3.99Å; F70-K75 HydrophobicContact CZ-CD 3.58Å; N71-K75 PolarHBondContact O-N 2.88Å; N71-K75 VanDerWaalsContact O-N 3.12Å; F72-K75 PolarHBondContact O-N 2.79Å; K75-K153 PolarHBondContact NZ-O 3.42Å; K75-K153 VanDerWaalsContact NZ-O 3.15Å; K75-F154 HydrophobicContact CG-CD1 4.23Å; K75-D161 WeakPolarHBondContact CD-OD2 3.39Å; K75-D161 WeakPolarHBondContact CE-OD1 3.46Å; K75-D161 WeakPolarHBondContact CE-OD2 3.48Å; K75-D161 IonicContact NZ-OD1 3.13Å; K75-D161 PolarHBondContact NZ-OD1 2.84Å; K75-D161 VanDerWaalsContact NZ-OD1 3.17Å; K75-D161 IonicContact NZ-OD2 3.7Å; K75-D161 PolarHBondContact NZ-OD2 2.84Å; K75-I163 HydrophobicContact CG-CG2 4.08Å; K75-Q167 PolarHBondContact O-NE2 3.15Å
76L95.1Very high93.6Very high0 Ų066 Ų660%033%0.327CS..Hα-helixtrans-67.1-47.8177-79.6163.8000111.6I62 F72 V73 L84 I97 V129 I151 F154 L155I62-L76 HydrophobicContact CD1-CD1 3.79Å; F72-L76 WeakPolarHBondContact O-CB 3.47Å; F72-L76 WeakPolarHBondContact O-CG 3.13Å; F72-L76 PolarHBondContact O-N 3.17Å; V73-L76 PolarHBondContact O-N 2.78Å; L76-L84 WeakPolarHBondContact O-CB 3.36Å; L76-L84 PolarHBondContact O-N 2.78Å; L76-L84 VanDerWaalsContact O-N 3.09Å; L76-I97 HydrophobicContact CB-CD1 4.07Å; L76-I97 HydrophobicContact CD1-CD1 4.32Å; L76-V129 HydrophobicContact CD1-CG2 3.97Å; L76-I151 HydrophobicContact CD2-CG1 4.12Å; L76-F154 HydrophobicContact CD2-CB 3.42Å; L76-F154 VanDerWaalsContact CD2-CB 3.42Å; L76-F154 HydrophobicContact CD2-CD1 4.01Å; L76-F154 HydrophobicContact CD2-CG 3.76Å; L76-F154 HydrophobicContact CG-CB 4.05Å; L76-L155 HydrophobicContact CD1-CD2 4.18Å
77L95Very high93.7Very high65 Ų6559.2 Ų59.234%0.3430%0.296SS..Hα-helixtrans-71.9-44.6-177.8-71.8169.9000112.4V73 G81 N82 S83 L84 I97V73-L77 HydrophobicContact CG1-CD1 3.81Å; V73-L77 WeakPolarHBondContact O-CB 3.48Å; V73-L77 WeakPolarHBondContact O-CG 3.34Å; V73-L77 PolarHBondContact O-N 2.92Å; L77-G81 CarbonylContact O-C 3.03Å; L77-G81 WeakPolarHBondContact O-CA 3.29Å; L77-N82 PolarHBondContact O-N 3.31Å; L77-S83 PolarHBondContact O-N 3.46Å; L77-S83 VanDerWaalsContact O-N 3.1Å; L77-L84 HydrophobicContact CD2-CB 4.2Å; L77-L84 HydrophobicContact CD2-CD2 3.63Å; L77-L84 PolarHBondContact O-N 3.43Å; L77-I97 HydrophobicContact CD1-CD1 4.41Å; L77-I97 HydrophobicContact CD2-CD1 4.12Å; L77-I97 HydrophobicContact CG-CD1 3.92Å
78G93.8Very high93.9Very high17 Ų1757.3 Ų57.318%0.17529%0.288CS..  trans64.3-171.5-17100000113.4G74 R80 G81G74-G78 PolarHBondContact O-N 3.1Å; G78-R80 PolarHBondContact O-N 3.24Å; G78-G81 PolarHBondContact O-N 3.06Å
79P93.2Very high94.1Very high14 Ų1457.8 Ų57.89%0.09128%0.281CS..G310 helixtrans-62.9124.8-178.526.3-33.2000110.6G81 N82 E170 L171 L174P79-G81 PolarHBondContact O-N 3.11Å; P79-N82 WeakPolarHBondContact O-CB 3.39Å; P79-N82 PolarHBondContact O-N 2.88Å; P79-E170 HydrophobicContact CG-CB 4.13Å; P79-E170 HydrophobicContact CG-CG 3.87Å; P79-L171 HydrophobicContact CB-CB 4.31Å; P79-L171 HydrophobicContact CB-CD1 4.03Å; P79-L174 HydrophobicContact CB-CD1 4.35Å
80R90.4Very high94.4Very high191 Ų19153.8 Ų53.872%0.72127%0.266SS*.G310 helixtrans55.318.3-177.8-58.2-174-69.2-176.22.8115G78 N82G78-R80 PolarHBondContact O-N 3.24Å; R80-N82 VanDerWaalsContact C-N 3.31Å
81G93.4Very high94.5Very high23 Ų2351.1 Ų51.124%0.23725%0.254CS..G310 helixtrans80.78.3-176.800000114.3L77 G78 P79 S83 L84 K85L77-G81 CarbonylContact O-C 3.03Å; L77-G81 WeakPolarHBondContact O-CA 3.29Å; G78-G81 PolarHBondContact O-N 3.06Å; P79-G81 PolarHBondContact O-N 3.11Å; G81-S83 VanDerWaalsContact C-N 3.33Å; G81-S83 PolarHBondContact O-N 3.03Å; G81-L84 PolarHBondContact O-N 3.11Å; G81-K85 WeakPolarHBondContact O-CB 3.36Å; G81-K85 PolarHBondContact O-N 3.28Å
82N94.3Very high94.7Very high39 Ų3950.6 Ų50.621%0.20925%0.251CS..Hα-helixtrans-63.7-35.9-174.5-75.6-6.1000112.8L77 P79 R80 K85 R86 E170L77-N82 PolarHBondContact O-N 3.31Å; P79-N82 WeakPolarHBondContact O-CB 3.39Å; P79-N82 PolarHBondContact O-N 2.88Å; R80-N82 VanDerWaalsContact C-N 3.31Å; N82-K85 PolarHBondContact O-N 2.78Å; N82-R86 WeakPolarHBondContact O-CG 3.36Å; N82-R86 PolarHBondContact O-N 2.83Å; N82-E170 PolarHBondContact ND2-OE1 3.41Å
83S94.6Very high94.8Very high13 Ų1351 Ų519%0.09125%0.254CS..Hα-helixtrans-67.6-46.5-178.7-59.60000111.8L77 G81 K85 R86 L87 Q167L77-S83 PolarHBondContact O-N 3.46Å; L77-S83 VanDerWaalsContact O-N 3.1Å; G81-S83 VanDerWaalsContact C-N 3.33Å; G81-S83 PolarHBondContact O-N 3.03Å; S83-K85 VanDerWaalsContact C-N 3.25Å; S83-K85 PolarHBondContact O-N 2.88Å; S83-R86 PolarHBondContact O-N 2.92Å; S83-L87 WeakPolarHBondContact O-CB 3.37Å; S83-L87 PolarHBondContact O-N 3.43Å; S83-Q167 VanDerWaalsContact CB-NE2 3.27Å; S83-Q167 WeakPolarHBondContact OG-CG 3.11Å; S83-Q167 PolarHBondContact OG-NE2 3.43Å
84L95.6Very high95Very high14 Ų1455.2 Ų55.27%0.07327%0.27CS..Hα-helixtrans-64.8-34175.5-172.263.9000111.4L76 L77 G81 L87 Q88 M95 I97L76-L84 WeakPolarHBondContact O-CB 3.36Å; L76-L84 PolarHBondContact O-N 2.78Å; L76-L84 VanDerWaalsContact O-N 3.09Å; L77-L84 HydrophobicContact CD2-CB 4.2Å; L77-L84 HydrophobicContact CD2-CD2 3.63Å; L77-L84 PolarHBondContact O-N 3.43Å; G81-L84 PolarHBondContact O-N 3.11Å; L84-L87 HydrophobicContact CD1-CD2 4.47Å; L84-Q88 WeakPolarHBondContact O-CB 3.36Å; L84-Q88 VanDerWaalsContact O-CG 3.27Å; L84-Q88 WeakPolarHBondContact O-CG 3.44Å; L84-Q88 PolarHBondContact O-N 2.81Å; L84-Q88 PolarHBondContact O-NE2 2.82Å; L84-Q88 VanDerWaalsContact O-NE2 3.07Å; L84-M95 HydrophobicContact CD1-CB 3.95Å; L84-M95 HydrophobicContact CD1-SD 4.02Å; L84-I97 HydrophobicContact CD2-CD1 4.22Å; L84-I97 HydrophobicContact CD2-CG1 4.32Å
85K96.3Very high95.1Very high116 Ų11654.2 Ų54.250%0.50426%0.258SS..Hα-helixtrans-65.9-47.5176.6-174.6175.1171.2-179.10111.8G81 N82 S83 L87 Q88 E89G81-K85 WeakPolarHBondContact O-CB 3.36Å; G81-K85 PolarHBondContact O-N 3.28Å; N82-K85 PolarHBondContact O-N 2.78Å; S83-K85 VanDerWaalsContact C-N 3.25Å; S83-K85 PolarHBondContact O-N 2.88Å; K85-L87 PolarHBondContact O-N 3.38Å; K85-Q88 WeakPolarHBondContact O-CB 3.27Å; K85-Q88 PolarHBondContact O-N 2.97Å; K85-E89 WeakPolarHBondContact CE-OE1 3.36Å; K85-E89 IonicContact NZ-OE1 2.8Å; K85-E89 WeakPolarHBondContact O-CG 3.44Å; K85-E89 PolarHBondContact O-N 3.29Å
86R94.9Very high95.2Very high103 Ų10355.2 Ų55.239%0.38927%0.266SS..Hα-helixtrans-59.3-46.4175-71.6178.4-165.1124.510.4111.4N82 S83 Q88 E89 E90 E170N82-R86 WeakPolarHBondContact O-CG 3.36Å; N82-R86 PolarHBondContact O-N 2.83Å; S83-R86 PolarHBondContact O-N 2.92Å; R86-Q88 VanDerWaalsContact C-N 3.27Å; R86-Q88 PolarHBondContact O-N 2.88Å; R86-E89 PolarHBondContact O-N 3.24Å; R86-E89 VanDerWaalsContact O-N 3.09Å; R86-E90 WeakPolarHBondContact O-CB 3.41Å; R86-E90 WeakPolarHBondContact O-CG 3.42Å; R86-E90 PolarHBondContact O-N 3.05Å; R86-E170 IonicContact CZ-OE1 2.78Å; R86-E170 IonicContact CZ-OE2 2.86Å; R86-E170 IonicContact NH1-OE1 2.74Å; R86-E170 IonicContact NH1-OE2 3.91Å; R86-E170 PolarHBondContact NH1-OE2 3.07Å; R86-E170 IonicContact NH2-OE1 3.62Å; R86-E170 PolarHBondContact NH2-OE1 3.43Å; R86-E170 IonicContact NH2-OE2 2.9Å; R86-E170 PolarHBondContact NH2-OE2 3.25Å; R86-E170 VanDerWaalsContact NH2-OE2 3.13Å
87L95.7Very high95.3Very high5 Ų556.5 Ų56.53%0.02627%0.273CS..Hα-helixtrans-57.7-40.1177.5179.860.9000112.2S83 L84 K85 T91 M95 E150 F154S83-L87 WeakPolarHBondContact O-CB 3.37Å; S83-L87 PolarHBondContact O-N 3.43Å; L84-L87 HydrophobicContact CD1-CD2 4.47Å; K85-L87 PolarHBondContact O-N 3.38Å; L87-T91 HydrophobicContact CD1-CG2 3.91Å; L87-T91 WeakPolarHBondContact O-CB 3.49Å; L87-T91 VanDerWaalsContact O-CG2 3.27Å; L87-T91 WeakPolarHBondContact O-CG2 3.49Å; L87-T91 PolarHBondContact O-N 2.99Å; L87-T91 VanDerWaalsContact O-N 3.1Å; L87-T91 PolarHBondContact O-OG1 2.87Å; L87-M95 HydrophobicContact CD1-CE 4.32Å; L87-M95 HydrophobicContact CD2-CE 3.9Å; L87-M95 HydrophobicContact CD2-SD 3.59Å; L87-M95 VanDerWaalsContact CD2-SD 3.59Å; L87-M95 HydrophobicContact CG-CE 3.71Å; L87-M95 HydrophobicContact CG-SD 3.86Å; L87-E150 HydrophobicContact CD1-CB 3.55Å; L87-E150 HydrophobicContact CD1-CG 4.33Å; L87-F154 HydrophobicContact CD1-CE2 4.32Å; L87-F154 HydrophobicContact CD2-CD2 4.23Å; L87-F154 HydrophobicContact CD2-CE2 3.89Å; L87-F154 HydrophobicContact CD2-CZ 4.31Å
88Q96.7Very high95.3Very high48 Ų4855.1 Ų55.122%0.22427%0.265CS..Hα-helixtrans-67.6-41.7174.9-76.1173.9108.100112.7L84 K85 R86 L92 T93 M95L84-Q88 WeakPolarHBondContact O-CB 3.36Å; L84-Q88 VanDerWaalsContact O-CG 3.27Å; L84-Q88 WeakPolarHBondContact O-CG 3.44Å; L84-Q88 PolarHBondContact O-N 2.81Å; L84-Q88 PolarHBondContact O-NE2 2.82Å; L84-Q88 VanDerWaalsContact O-NE2 3.07Å; K85-Q88 WeakPolarHBondContact O-CB 3.27Å; K85-Q88 PolarHBondContact O-N 2.97Å; R86-Q88 VanDerWaalsContact C-N 3.27Å; R86-Q88 PolarHBondContact O-N 2.88Å; Q88-L92 WeakPolarHBondContact O-CA 3.33Å; Q88-L92 PolarHBondContact O-N 3.19Å; Q88-T93 WeakPolarHBondContact CA-O 3.41Å; Q88-T93 VanDerWaalsContact CB-O 3.24Å; Q88-T93 WeakPolarHBondContact CB-O 2.9Å; Q88-T93 WeakPolarHBondContact CG-O 3.48Å; Q88-T93 PolarHBondContact O-N 3.41Å; Q88-T93 VanDerWaalsContact O-N 3.17Å; Q88-M95 HydrophobicContact CG-CB 3.81Å; Q88-M95 HydrophobicContact CG-CG 3.83Å; Q88-M95 HydrophobicContact CG-SD 4.44Å; Q88-M95 PolarHBondContact OE1-O 2.9Å
89E96.3Very high95.4Very high114 Ų11454.3 Ų54.353%0.53326%0.257SS..Hα-helixtrans-66.5-42.3178.6-73.1172.3-177.100111.9K85 R86 L92K85-E89 WeakPolarHBondContact CE-OE1 3.36Å; K85-E89 IonicContact NZ-OE1 2.8Å; K85-E89 WeakPolarHBondContact O-CG 3.44Å; K85-E89 PolarHBondContact O-N 3.29Å; R86-E89 PolarHBondContact O-N 3.24Å; R86-E89 VanDerWaalsContact O-N 3.09Å; E89-L92 WeakPolarHBondContact O-CD2 3.44Å
90E94.8Very high95.4Very high128 Ų12860.3 Ų60.360%0.59828%0.282SS*.Hα-helixtrans-70.4-38.5179.8-72.3169.9-171.200112.6R86R86-E90 WeakPolarHBondContact O-CB 3.41Å; R86-E90 WeakPolarHBondContact O-CG 3.42Å; R86-E90 PolarHBondContact O-N 3.05Å
91T95.3Very high95.5Very high3 Ų352.7 Ų52.72%0.01826%0.263CS..Hα-helixtrans-89-8.7-179.262.50000113.1L87 T93 A147 E150L87-T91 HydrophobicContact CD1-CG2 3.91Å; L87-T91 WeakPolarHBondContact O-CB 3.49Å; L87-T91 VanDerWaalsContact O-CG2 3.27Å; L87-T91 WeakPolarHBondContact O-CG2 3.49Å; L87-T91 PolarHBondContact O-N 2.99Å; L87-T91 VanDerWaalsContact O-N 3.1Å; L87-T91 PolarHBondContact O-OG1 2.87Å; T91-T93 VanDerWaalsContact O-CG2 3.3Å; T91-T93 WeakPolarHBondContact O-CG2 3.27Å; T91-T93 PolarHBondContact O-N 3.49Å; T91-T93 PolarHBondContact OG1-OG1 3.46Å; T91-A147 HydrophobicContact CG2-CB 4.13Å; T91-E150 HydrophobicContact CG2-CB 4.43Å; T91-E150 HydrophobicContact CG2-CG 4.31Å
92L96.4Very high95.5Very high101 Ų10152.8 Ų52.853%0.52926%0.26SS..THydrogen-bonded Turntrans52.840.2-172.7-58172.5000112.3Q88 E89Q88-L92 WeakPolarHBondContact O-CA 3.33Å; Q88-L92 PolarHBondContact O-N 3.19Å; E89-L92 WeakPolarHBondContact O-CD2 3.44Å
93T97.1Very high95.4Very high10 Ų1054 Ų546%0.06127%0.265CS..  trans-122158.7179.770.60000110.8Q88 T91 M95 I131 V133 R143 A147Q88-T93 WeakPolarHBondContact CA-O 3.41Å; Q88-T93 VanDerWaalsContact CB-O 3.24Å; Q88-T93 WeakPolarHBondContact CB-O 2.9Å; Q88-T93 WeakPolarHBondContact CG-O 3.48Å; Q88-T93 PolarHBondContact O-N 3.41Å; Q88-T93 VanDerWaalsContact O-N 3.17Å; T91-T93 VanDerWaalsContact O-CG2 3.3Å; T91-T93 WeakPolarHBondContact O-CG2 3.27Å; T91-T93 PolarHBondContact O-N 3.49Å; T91-T93 PolarHBondContact OG1-OG1 3.46Å; T93-M95 VanDerWaalsContact OG1-CE 3.26Å; T93-M95 WeakPolarHBondContact OG1-CE 3.41Å; T93-I131 HydrophobicContact CG2-CG2 4.12Å; T93-V133 HydrophobicContact CG2-CG2 3.55Å; T93-R143 HydrophobicContact CG2-CB 4.45Å; T93-A147 HydrophobicContact CG2-CB 3.76Å
94K97.3Very high95.2Very high114 Ų11465 Ų6550%0.49630%0.304SS..EExtended strand (participates in β ladder)trans-102.7122170.3177.9-178.1169.3-1380108.3E132K94-E132 HydrophobicContact CB-CB 4.31Å; K94-E132 PolarHBondContact N-O 3.17Å; K94-E132 IonicContact NZ-OE2 3.42Å; K94-E132 PolarHBondContact NZ-OE2 2.94Å; K94-E132 PolarHBondContact O-N 3.34Å
95M97.3Very high95.1Very high8 Ų867.7 Ų67.74%0.03932%0.319CS..EExtended strand (participates in β ladder)trans-113.9130.7-178.6-62.3-170.9-176.300110.2L84 L87 Q88 T93 V129 L130 I131 A147L84-M95 HydrophobicContact CD1-CB 3.95Å; L84-M95 HydrophobicContact CD1-SD 4.02Å; L87-M95 HydrophobicContact CD1-CE 4.32Å; L87-M95 HydrophobicContact CD2-CE 3.9Å; L87-M95 HydrophobicContact CD2-SD 3.59Å; L87-M95 VanDerWaalsContact CD2-SD 3.59Å; L87-M95 HydrophobicContact CG-CE 3.71Å; L87-M95 HydrophobicContact CG-SD 3.86Å; Q88-M95 HydrophobicContact CG-CB 3.81Å; Q88-M95 HydrophobicContact CG-CG 3.83Å; Q88-M95 HydrophobicContact CG-SD 4.44Å; Q88-M95 PolarHBondContact OE1-O 2.9Å; T93-M95 VanDerWaalsContact OG1-CE 3.26Å; T93-M95 WeakPolarHBondContact OG1-CE 3.41Å; M95-V129 HydrophobicContact CB-CG1 4.2Å; M95-L130 CarbonylContact C-O 3.59Å; M95-L130 WeakPolarHBondContact CA-O 3.15Å; M95-I131 HydrophobicContact CE-CD1 4.41Å; M95-I131 HydrophobicContact CG-CG1 4.3Å; M95-A147 HydrophobicContact CE-CB 3.88Å
96S96.3Very high94.9Very high33 Ų3370.3 Ų70.323%0.23133%0.33CS..EExtended strand (participates in β ladder)trans-127.7123.5176.8-63.40000110L98 V129 L130S96-L98 PolarHBondContact O-N 3.09Å; S96-V129 CarbonylContact O-C 3.52Å; S96-V129 WeakPolarHBondContact O-CA 3.46Å; S96-L130 PolarHBondContact N-O 3.48Å; S96-L130 PolarHBondContact O-N 3.13Å
97I96.6Very high94.8Very high28 Ų2869.5 Ų69.514%0.14435%0.346CS..EExtended strand (participates in β ladder)trans-83114.2173.3-53.4177.2000107.4V73 L76 L77 L84 L127 V129V73-I97 HydrophobicContact CG1-CD1 4.11Å; V73-I97 HydrophobicContact CG2-CG2 4.26Å; L76-I97 HydrophobicContact CB-CD1 4.07Å; L76-I97 HydrophobicContact CD1-CD1 4.32Å; L77-I97 HydrophobicContact CD1-CD1 4.41Å; L77-I97 HydrophobicContact CD2-CD1 4.12Å; L77-I97 HydrophobicContact CG-CD1 3.92Å; L84-I97 HydrophobicContact CD2-CD1 4.22Å; L84-I97 HydrophobicContact CD2-CG1 4.32Å; I97-L127 HydrophobicContact CG2-CD1 4.19Å; I97-V129 HydrophobicContact CG1-CG2 4.35Å
98L95.8Very high94.7Very high35 Ų3574.8 Ų74.818%0.18337%0.369CS..EExtended strand (participates in β ladder)trans-128178.9-174.4-58.5177.6000109.6S96 H122 H128 L130S96-L98 PolarHBondContact O-N 3.09Å; L98-H122 HydrophobicContact CB-CB 4.17Å; L98-H122 HydrophobicContact CD1-CB 4.49Å; L98-H128 PolarHBondContact N-O 3.46Å; L98-H128 PolarHBondContact O-N 3.07Å; L98-L130 HydrophobicContact CD1-CB 3.89Å; L98-L130 HydrophobicContact CD1-CD2 3.93Å
99G95.4Very high94.5Very high0 Ų073 Ų730%036%0.36CS..SBendtrans89.8178.3-177.200000114.5S102 H122 D125 D126G99-S102 VanDerWaalsContact O-CB 3.24Å; G99-S102 WeakPolarHBondContact O-CB 3.48Å; G99-S102 PolarHBondContact O-N 2.98Å; G99-S102 PolarHBondContact O-OG 2.9Å; G99-H122 WeakPolarHBondContact CA-O 3.26Å; G99-H122 PolarHBondContact N-ND1 3.34Å; G99-H122 PolarHBondContact N-O 3.06Å; G99-D125 CarbonylContact C-O 3.49Å; G99-D125 VanDerWaalsContact CA-O 3.26Å; G99-D125 WeakPolarHBondContact CA-O 3.49Å; G99-D126 WeakPolarHBondContact CA-O 3.33Å
100K93.4Very high94.2Very high140 Ų14071 Ų7161%0.60935%0.351SS*.THydrogen-bonded Turntrans-65.7125.8177.9-177179.5179.4178.10112E109 D125 L127K100-E109 VanDerWaalsContact CA-OE1 3.31Å; K100-E109 WeakPolarHBondContact CA-OE1 3.5Å; K100-D125 PolarHBondContact N-O 3.39Å; K100-L127 WeakPolarHBondContact O-CB 3.49Å
101G91.5Very high94.1Very high32 Ų3271.6 Ų71.633%0.3335%0.354SS..THydrogen-bonded Turntrans84.910.3-176.300000114.2M103 E109G101-M103 VanDerWaalsContact C-N 3.31Å; G101-E109 VanDerWaalsContact CA-OE2 3.27Å; G101-E109 WeakPolarHBondContact CA-OE2 3.43Å; G101-E109 VanDerWaalsContact N-CD 3.29Å; G101-E109 PolarHBondContact N-OE1 3.07Å; G101-E109 PolarHBondContact N-OE2 2.95Å; G101-E109 VanDerWaalsContact N-OE2 3.1Å
102S93.4Very high93.8Very high24 Ų2473.4 Ų73.417%0.16836%0.363CS..  trans-70.7-28.7172.5560000112.1G99G99-S102 VanDerWaalsContact O-CB 3.24Å; G99-S102 WeakPolarHBondContact O-CB 3.48Å; G99-S102 PolarHBondContact O-N 2.98Å; G99-S102 PolarHBondContact O-OG 2.9Å
103M93Very high93.4Very high66 Ų6671.8 Ų71.833%0.32535%0.35SS..SBendtrans-86.4148.4178.6-62.3-171.770.700110.9G101 D105 E109 L112 L123G101-M103 VanDerWaalsContact C-N 3.31Å; M103-D105 VanDerWaalsContact C-N 3.35Å; M103-E109 HydrophobicContact CB-CB 4.11Å; M103-E109 HydrophobicContact CB-CG 4.2Å; M103-E109 HydrophobicContact CG-CB 4.4Å; M103-E109 HydrophobicContact CG-CG 4.16Å; M103-E109 PolarHBondContact N-OE2 2.94Å; M103-E109 HydrophobicContact SD-CB 4.04Å; M103-E109 HydrophobicContact SD-CG 4.06Å; M103-L112 HydrophobicContact CE-CD1 3.74Å; M103-L112 HydrophobicContact SD-CD1 3.83Å; M103-L123 HydrophobicContact SD-CD1 4.47Å
104R90.8Very high93Very high242 Ų24277.6 Ų77.691%0.91337%0.374SS*.SBendtrans-63.4-42.1175.8-174.7176.4-177.8167.90.9112
105D93.6Very high92.3Very high72 Ų7274.6 Ų74.639%0.38537%0.368SS..  trans-99.199.5-175.6-66.6-24.5000110.7M103 A107 K108 E109M103-D105 VanDerWaalsContact C-N 3.35Å; D105-A107 VanDerWaalsContact C-N 3.26Å; D105-A107 PolarHBondContact O-N 3.29Å; D105-K108 HydrophobicContact CB-CB 4.14Å; D105-K108 HydrophobicContact CB-CD 3.98Å; D105-K108 HydrophobicContact CB-CG 4.12Å; D105-K108 PolarHBondContact O-N 3.07Å; D105-K108 WeakPolarHBondContact OD2-CE 3.4Å; D105-K108 IonicContact OD2-NZ 3.47Å; D105-K108 PolarHBondContact OD2-NZ 3.38Å; D105-E109 PolarHBondContact O-N 3.45Å
106K91.5Very high91.4Very high170 Ų17075 Ų7574%0.73937%0.373SS*.Hα-helixtrans-60.7-31.3-177.7-61.5-179.5-178.8-178.70114.2E110K106-E110 PolarHBondContact O-N 2.98Å
107A93Very high90.8Very high86 Ų8678 Ų7871%0.71138%0.384SS*.Hα-helixtrans-69.5-43.3179.400000111.9D105 E109 E110 E111D105-A107 VanDerWaalsContact C-N 3.26Å; D105-A107 PolarHBondContact O-N 3.29Å; A107-E109 VanDerWaalsContact C-N 3.34Å; A107-E110 PolarHBondContact O-N 2.74Å; A107-E111 PolarHBondContact O-N 2.66Å
108K92.7Very high90.1Very high116 Ų11680.2 Ų80.250%0.50441%0.407SS..Hα-helixtrans-68.3-37.1175.9-66.6-179.4-174154.40111.3D105 E110 E111 L112D105-K108 HydrophobicContact CB-CB 4.14Å; D105-K108 HydrophobicContact CB-CD 3.98Å; D105-K108 HydrophobicContact CB-CG 4.12Å; D105-K108 PolarHBondContact O-N 3.07Å; D105-K108 WeakPolarHBondContact OD2-CE 3.4Å; D105-K108 IonicContact OD2-NZ 3.47Å; D105-K108 PolarHBondContact OD2-NZ 3.38Å; K108-E110 VanDerWaalsContact C-N 3.31Å; K108-E110 PolarHBondContact O-N 3.11Å; K108-E111 PolarHBondContact O-N 3.13Å; K108-L112 WeakPolarHBondContact O-CG 3.32Å; K108-L112 PolarHBondContact O-N 3.18Å
109E92.4Very high89.7Confident11 Ų1185.5 Ų85.55%0.05143%0.428CS..Hα-helixtrans-55.8-46.8175.4-167.7-175.2122.100111.5K100 G101 M103 D105 A107 E111 L112 R113 L123K100-E109 VanDerWaalsContact CA-OE1 3.31Å; K100-E109 WeakPolarHBondContact CA-OE1 3.5Å; G101-E109 VanDerWaalsContact CA-OE2 3.27Å; G101-E109 WeakPolarHBondContact CA-OE2 3.43Å; G101-E109 VanDerWaalsContact N-CD 3.29Å; G101-E109 PolarHBondContact N-OE1 3.07Å; G101-E109 PolarHBondContact N-OE2 2.95Å; G101-E109 VanDerWaalsContact N-OE2 3.1Å; M103-E109 HydrophobicContact CB-CB 4.11Å; M103-E109 HydrophobicContact CB-CG 4.2Å; M103-E109 HydrophobicContact CG-CB 4.4Å; M103-E109 HydrophobicContact CG-CG 4.16Å; M103-E109 PolarHBondContact N-OE2 2.94Å; M103-E109 HydrophobicContact SD-CB 4.04Å; M103-E109 HydrophobicContact SD-CG 4.06Å; D105-E109 PolarHBondContact O-N 3.45Å; A107-E109 VanDerWaalsContact C-N 3.34Å; E109-E111 VanDerWaalsContact C-N 3.32Å; E109-E111 PolarHBondContact O-N 3.04Å; E109-L112 PolarHBondContact O-N 3.27Å; E109-R113 WeakPolarHBondContact O-CB 3.26Å; E109-R113 PolarHBondContact O-N 3.26Å; E109-L123 HydrophobicContact CG-CD1 3.85Å; E109-L123 HydrophobicContact CG-CD2 3.66Å; E109-L123 HydrophobicContact CG-CG 4.26Å; E109-L123 WeakPolarHBondContact O-CD1 3.27Å
110E91Very high89.4Confident73 Ų7387.7 Ų87.734%0.34144%0.437SS..Hα-helixtrans-67.7-31.3-180-177.758.8-160.200112.9K106 A107 K108 R113 K114K106-E110 PolarHBondContact O-N 2.98Å; A107-E110 PolarHBondContact O-N 2.74Å; K108-E110 VanDerWaalsContact C-N 3.31Å; K108-E110 PolarHBondContact O-N 3.11Å; E110-R113 IonicContact OE1-CZ 2.75Å; E110-R113 IonicContact OE1-NE 3.93Å; E110-R113 PolarHBondContact OE1-NE 3.01Å; E110-R113 IonicContact OE1-NH2 3.78Å; E110-R113 PolarHBondContact OE1-NH2 2.83Å; E110-R113 IonicContact OE2-CZ 2.74Å; E110-R113 IonicContact OE2-NE 2.74Å; E110-R113 PolarHBondContact OE2-NE 2.96Å; E110-R113 IonicContact OE2-NH2 2.7Å; E110-K114 WeakPolarHBondContact O-CG 3.19Å; E110-K114 PolarHBondContact O-N 2.87Å; E110-K114 WeakPolarHBondContact OE1-CE 3.49Å; E110-K114 IonicContact OE1-NZ 3.17Å
111E91.6Very high89.2Confident139 Ų13985.2 Ų85.265%0.6543%0.426SS*.Hα-helixtrans-67.8-48.1173.2-173.5-176.3169.200111.5A107 K108 E109 R113 K114 S115A107-E111 PolarHBondContact O-N 2.66Å; K108-E111 PolarHBondContact O-N 3.13Å; E109-E111 VanDerWaalsContact C-N 3.32Å; E109-E111 PolarHBondContact O-N 3.04Å; E111-R113 VanDerWaalsContact C-N 3.27Å; E111-R113 PolarHBondContact O-N 3.23Å; E111-K114 PolarHBondContact O-N 2.99Å; E111-S115 PolarHBondContact O-N 3.14Å
112L89.8Confident89.2Confident41 Ų4185.7 Ų85.722%0.21542%0.42CS..Hα-helixtrans-66-30.9177.4-66.3175.4000112.3M103 K108 E109 K114 S115 Y120 L123M103-L112 HydrophobicContact CE-CD1 3.74Å; M103-L112 HydrophobicContact SD-CD1 3.83Å; K108-L112 WeakPolarHBondContact O-CG 3.32Å; K108-L112 PolarHBondContact O-N 3.18Å; E109-L112 PolarHBondContact O-N 3.27Å; L112-K114 VanDerWaalsContact C-N 3.31Å; L112-S115 PolarHBondContact O-N 3.08Å; L112-S115 PolarHBondContact O-OG 3.13Å; L112-Y120 HydrophobicContact CB-CD1 4.38Å; L112-Y120 HydrophobicContact CB-CD2 3.94Å; L112-Y120 HydrophobicContact CB-CE2 4.37Å; L112-Y120 HydrophobicContact CB-CG 3.98Å; L112-Y120 HydrophobicContact CD1-CD1 4.34Å; L112-Y120 HydrophobicContact CD1-CE1 4.03Å; L112-Y120 HydrophobicContact CD1-CE2 4.36Å; L112-Y120 HydrophobicContact CD2-CD2 4.05Å; L112-Y120 HydrophobicContact CD2-CE2 3.69Å; L112-Y120 HydrophobicContact CG-CD2 4.42Å; L112-Y120 HydrophobicContact CG-CE2 4.35Å; L112-L123 HydrophobicContact CB-CD1 4.06Å
113R88.7Confident89.2Confident68 Ų6884.6 Ų84.626%0.25741%0.412SS..Hα-helixtrans-65.1-37.6172.3-166.5-169.469.670.44.5111.4E109 E110 E111 L123 N124E109-R113 WeakPolarHBondContact O-CB 3.26Å; E109-R113 PolarHBondContact O-N 3.26Å; E110-R113 IonicContact OE1-CZ 2.75Å; E110-R113 IonicContact OE1-NE 3.93Å; E110-R113 PolarHBondContact OE1-NE 3.01Å; E110-R113 IonicContact OE1-NH2 3.78Å; E110-R113 PolarHBondContact OE1-NH2 2.83Å; E110-R113 IonicContact OE2-CZ 2.74Å; E110-R113 IonicContact OE2-NE 2.74Å; E110-R113 PolarHBondContact OE2-NE 2.96Å; E110-R113 IonicContact OE2-NH2 2.7Å; E111-R113 VanDerWaalsContact C-N 3.27Å; E111-R113 PolarHBondContact O-N 3.23Å; R113-L123 HydrophobicContact CB-CB 4.14Å; R113-L123 HydrophobicContact CB-CD1 4.25Å; R113-L123 HydrophobicContact CG-CB 4.01Å; R113-N124 WeakPolarHBondContact CD-OD1 3.42Å; R113-N124 VanDerWaalsContact CG-OD1 3.27Å; R113-N124 WeakPolarHBondContact CG-OD1 3.36Å; R113-N124 PolarHBondContact NH1-OD1 2.74Å; R113-N124 VanDerWaalsContact NH1-OD1 3.07Å
114K87.4Confident89.1Confident132 Ų13284.6 Ų84.657%0.57441%0.413SS*.Hα-helixtrans-78.6-24.2178.4-73176.5-174.51770113.7E110 E111 L112 G116E110-K114 WeakPolarHBondContact O-CG 3.19Å; E110-K114 PolarHBondContact O-N 2.87Å; E110-K114 WeakPolarHBondContact OE1-CE 3.49Å; E110-K114 IonicContact OE1-NZ 3.17Å; E111-K114 PolarHBondContact O-N 2.99Å; L112-K114 VanDerWaalsContact C-N 3.31Å; K114-G116 PolarHBondContact O-N 2.75Å; K114-G116 VanDerWaalsContact O-N 3.13Å
115S84.2Confident89.3Confident51 Ų5175.4 Ų75.436%0.35738%0.382SS..THydrogen-bonded Turntrans-61.5-20.7177.380.10000112.5E111 L112 E117E111-S115 PolarHBondContact O-N 3.14Å; L112-S115 PolarHBondContact O-N 3.08Å; L112-S115 PolarHBondContact O-OG 3.13Å; S115-E117 PolarHBondContact O-N 2.83Å; S115-E117 WeakPolarHBondContact OG-CG 3.26Å; S115-E117 PolarHBondContact OG-OE1 3.36Å; S115-E117 VanDerWaalsContact OG-OE1 3.12Å
116G77.8Confident89.4Confident15 Ų1575.7 Ų75.716%0.15538%0.384CS..  trans73.27.8174.300000113.9K114K114-G116 PolarHBondContact O-N 2.75Å; K114-G116 VanDerWaalsContact O-N 3.13Å
117E83.4Confident89.6Confident96 Ų9668.3 Ų68.345%0.44935%0.352SS..  trans-61.4136.2176.1-71.5170.8-13000111.2S115 K119 Y120 F121S115-E117 PolarHBondContact O-N 2.83Å; S115-E117 WeakPolarHBondContact OG-CG 3.26Å; S115-E117 PolarHBondContact OG-OE1 3.36Å; S115-E117 VanDerWaalsContact OG-OE1 3.12Å; E117-K119 PolarHBondContact O-N 3.46Å; E117-K119 VanDerWaalsContact O-N 3.13Å; E117-Y120 HydrophobicContact CB-CD2 3.97Å; E117-Y120 PolarHBondContact O-N 3.12Å; E117-Y120 VanDerWaalsContact OE2-CE2 3.25Å; E117-Y120 WeakPolarHBondContact OE2-CE2 3.13Å; E117-F121 PolarHBondContact O-N 3.08Å
118A82.5Confident89.8Confident76 Ų7664.5 Ų64.563%0.62832%0.32SS*.G310 helixtrans-57.3-31.8179.800000112.7Y120 F121A118-Y120 VanDerWaalsContact C-N 3.31Å; A118-Y120 PolarHBondContact O-N 3.38Å; A118-F121 WeakPolarHBondContact O-CB 3.33Å; A118-F121 PolarHBondContact O-N 3.07Å
119K87.6Confident90Very high146 Ų14659 Ų5964%0.63530%0.296SS*.G310 helixtrans-60.6-36.7177.2-176.6-175.9174.4-164.60112.9E117 H122E117-K119 PolarHBondContact O-N 3.46Å; E117-K119 VanDerWaalsContact O-N 3.13Å; K119-H122 PolarHBondContact O-CD2 3.37Å; K119-H122 PolarHBondContact O-NE2 3.27Å
120Y89.3Confident90.2Very high46 Ų4660 Ų6018%0.1830%0.302CS..G310 helixtrans-101.18.5-176-58.2-58.4000112.9L112 E117 A118 H122 L123L112-Y120 HydrophobicContact CB-CD1 4.38Å; L112-Y120 HydrophobicContact CB-CD2 3.94Å; L112-Y120 HydrophobicContact CB-CE2 4.37Å; L112-Y120 HydrophobicContact CB-CG 3.98Å; L112-Y120 HydrophobicContact CD1-CD1 4.34Å; L112-Y120 HydrophobicContact CD1-CE1 4.03Å; L112-Y120 HydrophobicContact CD1-CE2 4.36Å; L112-Y120 HydrophobicContact CD2-CD2 4.05Å; L112-Y120 HydrophobicContact CD2-CE2 3.69Å; L112-Y120 HydrophobicContact CG-CD2 4.42Å; L112-Y120 HydrophobicContact CG-CE2 4.35Å; E117-Y120 HydrophobicContact CB-CD2 3.97Å; E117-Y120 PolarHBondContact O-N 3.12Å; E117-Y120 VanDerWaalsContact OE2-CE2 3.25Å; E117-Y120 WeakPolarHBondContact OE2-CE2 3.13Å; A118-Y120 VanDerWaalsContact C-N 3.31Å; A118-Y120 PolarHBondContact O-N 3.38Å; Y120-H122 PolarHBondContact O-N 3.16Å; Y120-H122 VanDerWaalsContact O-N 3.16Å; Y120-L123 HydrophobicContact CD1-CD1 4.4Å; Y120-L123 HydrophobicContact CG-CD1 4.42Å; Y120-L123 VanDerWaalsContact O-CB 3.26Å; Y120-L123 WeakPolarHBondContact O-CB 3.46Å; Y120-L123 WeakPolarHBondContact O-CG 3.41Å; Y120-L123 PolarHBondContact O-N 3.07Å
121F88.5Confident90.5Very high87 Ų8756.6 Ų56.638%0.38229%0.286SS..G310 helixtrans-58.3-32.4179.7-175.4-102.4000112.6E117 A118 L123 N124E117-F121 PolarHBondContact O-N 3.08Å; A118-F121 WeakPolarHBondContact O-CB 3.33Å; A118-F121 PolarHBondContact O-N 3.07Å; F121-L123 PolarHBondContact O-N 3.13Å; F121-N124 PolarHBondContact O-N 2.75Å; F121-N124 VanDerWaalsContact O-N 3.08Å; F121-N124 PolarHBondContact O-ND2 2.95Å
122H91.8Very high90.8Very high43 Ų4351.3 Ų51.320%0.19926%0.261CS..G310 helixtrans-58.4-19.6175.570.476.1000113.4L98 G99 K119 Y120 N124 D125L98-H122 HydrophobicContact CB-CB 4.17Å; L98-H122 HydrophobicContact CD1-CB 4.49Å; G99-H122 WeakPolarHBondContact CA-O 3.26Å; G99-H122 PolarHBondContact N-ND1 3.34Å; G99-H122 PolarHBondContact N-O 3.06Å; K119-H122 PolarHBondContact O-CD2 3.37Å; K119-H122 PolarHBondContact O-NE2 3.27Å; Y120-H122 PolarHBondContact O-N 3.16Å; Y120-H122 VanDerWaalsContact O-N 3.16Å; H122-N124 PolarHBondContact O-N 3.35Å; H122-D125 WeakPolarHBondContact O-CB 3.43Å; H122-D125 PolarHBondContact O-N 3.1Å; H122-D125 VanDerWaalsContact O-N 3.12Å
123L93.3Very high91.1Very high1 Ų149.5 Ų49.51%0.00525%0.251CS..G310 helixtrans-68.3-14.4177.3-62.9179.5000113.1M103 E109 L112 R113 Y120 F121M103-L123 HydrophobicContact SD-CD1 4.47Å; E109-L123 HydrophobicContact CG-CD1 3.85Å; E109-L123 HydrophobicContact CG-CD2 3.66Å; E109-L123 HydrophobicContact CG-CG 4.26Å; E109-L123 WeakPolarHBondContact O-CD1 3.27Å; L112-L123 HydrophobicContact CB-CD1 4.06Å; R113-L123 HydrophobicContact CB-CB 4.14Å; R113-L123 HydrophobicContact CB-CD1 4.25Å; R113-L123 HydrophobicContact CG-CB 4.01Å; Y120-L123 HydrophobicContact CD1-CD1 4.4Å; Y120-L123 HydrophobicContact CG-CD1 4.42Å; Y120-L123 VanDerWaalsContact O-CB 3.26Å; Y120-L123 WeakPolarHBondContact O-CB 3.46Å; Y120-L123 WeakPolarHBondContact O-CG 3.41Å; Y120-L123 PolarHBondContact O-N 3.07Å; F121-L123 PolarHBondContact O-N 3.13Å
124N90.8Very high91.5Very high66 Ų6652.9 Ų52.935%0.35327%0.268SS..G310 helixtrans-81.5-19.3172.5-59.5-67.5000112.6R113 F121 H122R113-N124 WeakPolarHBondContact CD-OD1 3.42Å; R113-N124 VanDerWaalsContact CG-OD1 3.27Å; R113-N124 WeakPolarHBondContact CG-OD1 3.36Å; R113-N124 PolarHBondContact NH1-OD1 2.74Å; R113-N124 VanDerWaalsContact NH1-OD1 3.07Å; F121-N124 PolarHBondContact O-N 2.75Å; F121-N124 VanDerWaalsContact O-N 3.08Å; F121-N124 PolarHBondContact O-ND2 2.95Å; H122-N124 PolarHBondContact O-N 3.35Å
125D94.2Very high91.9Very high48 Ų4846.7 Ų46.726%0.25724%0.241SC..SBendtrans-78.3156.8176.5-70.7-6.6000110.7K59 G99 K100 H122 H128K59-D125 IonicContact NZ-OD2 2.84Å; K59-D125 PolarHBondContact NZ-OD2 3.33Å; G99-D125 CarbonylContact C-O 3.49Å; G99-D125 VanDerWaalsContact CA-O 3.26Å; G99-D125 WeakPolarHBondContact CA-O 3.49Å; K100-D125 PolarHBondContact N-O 3.39Å; H122-D125 WeakPolarHBondContact O-CB 3.43Å; H122-D125 PolarHBondContact O-N 3.1Å; H122-D125 VanDerWaalsContact O-N 3.12Å; D125-H128 IonicContact OD2-CE1 3.87Å
126D95.3Very high92.4Very high79 Ų7945.3 Ų45.342%0.42223%0.232SC..PPolyproline II helixtrans-61.4155.2169.8-84.5-15.6000111.1L61 K65 G99 H128L61-D126 HydrophobicContact CD2-CB 4.05Å; K65-D126 WeakPolarHBondContact CE-OD2 3.25Å; K65-D126 IonicContact NZ-OD1 3.4Å; K65-D126 IonicContact NZ-OD2 2.66Å; K65-D126 PolarHBondContact NZ-OD2 3.49Å; G99-D126 WeakPolarHBondContact CA-O 3.33Å; D126-H128 PolarHBondContact O-N 3.49Å; D126-H128 VanDerWaalsContact O-N 3.14Å; D126-H128 PolarHBondContact O-ND1 3.24Å
127L96.4Very high93.2Very high14 Ų1445.2 Ų45.27%0.07323%0.228CC..SBendtrans-56.6119.4179-171.669.2000111.1I62 V64 V73 I97 K100I62-L127 HydrophobicContact CB-CB 4.5Å; I62-L127 HydrophobicContact CB-CD2 4.02Å; I62-L127 HydrophobicContact CB-CG 4.12Å; I62-L127 HydrophobicContact CD1-CD2 3.94Å; I62-L127 HydrophobicContact CD1-CG 3.89Å; I62-L127 HydrophobicContact CG1-CD2 4.42Å; I62-L127 HydrophobicContact CG1-CG 4.23Å; I62-L127 HydrophobicContact CG2-CD2 4.04Å; I62-L127 PolarHBondContact N-O 3.44Å; V64-L127 HydrophobicContact CG1-CD2 3.58Å; V73-L127 HydrophobicContact CG2-CD1 4.32Å; V73-L127 HydrophobicContact CG2-CD2 3.95Å; I97-L127 HydrophobicContact CG2-CD1 4.19Å; K100-L127 WeakPolarHBondContact O-CB 3.49Å
128H96.6Very high93.7Very high6 Ų644.6 Ų44.63%0.02824%0.239CC..EExtended strand (participates in β ladder)trans-147.6160.4-176.965.8-86.6000112V60 L61 L98 D125 D126V60-H128 CarbonylContact O-C 3.58Å; V60-H128 WeakPolarHBondContact O-CA 3.46Å; V60-H128 VanDerWaalsContact O-CB 3.26Å; V60-H128 WeakPolarHBondContact O-CB 3.37Å; L61-H128 HydrophobicContact CD2-CB 4.4Å; L98-H128 PolarHBondContact N-O 3.46Å; L98-H128 PolarHBondContact O-N 3.07Å; D125-H128 IonicContact OD2-CE1 3.87Å; D126-H128 PolarHBondContact O-N 3.49Å; D126-H128 VanDerWaalsContact O-N 3.14Å; D126-H128 PolarHBondContact O-ND1 3.24Å
129V97.3Very high94.4Very high1 Ų145.4 Ų45.41%0.00623%0.23CC..EExtended strand (participates in β ladder)trans-103.7124.8168.4-173.60000108.3V60 I62 L76 M95 S96 I97 I131 I151V60-V129 PolarHBondContact N-O 3.19Å; V60-V129 PolarHBondContact O-N 3.14Å; I62-V129 HydrophobicContact CD1-CG2 3.85Å; I62-V129 HydrophobicContact CG1-CG2 4.18Å; L76-V129 HydrophobicContact CD1-CG2 3.97Å; M95-V129 HydrophobicContact CB-CG1 4.2Å; S96-V129 CarbonylContact O-C 3.52Å; S96-V129 WeakPolarHBondContact O-CA 3.46Å; I97-V129 HydrophobicContact CG1-CG2 4.35Å; V129-I131 HydrophobicContact CG1-CG1 4.31Å; V129-I151 HydrophobicContact CB-CD1 3.75Å; V129-I151 HydrophobicContact CG1-CD1 3.74Å; V129-I151 HydrophobicContact CG2-CD1 3.95Å
130L97.1Very high94.8Very high33 Ų3338.5 Ų38.517%0.17320%0.2CC..EExtended strand (participates in β ladder)trans-90.6116.9169.1176.867.3000108.4K59 M95 S96 L98 E132K59-L130 HydrophobicContact CG-CD1 4Å; M95-L130 CarbonylContact C-O 3.59Å; M95-L130 WeakPolarHBondContact CA-O 3.15Å; S96-L130 PolarHBondContact N-O 3.48Å; S96-L130 PolarHBondContact O-N 3.13Å; L98-L130 HydrophobicContact CD1-CB 3.89Å; L98-L130 HydrophobicContact CD1-CD2 3.93Å; L130-E132 HydrophobicContact CD1-CG 4.46Å; L130-E132 HydrophobicContact CD2-CG 4.01Å; L130-E132 HydrophobicContact CG-CG 3.91Å
131I97.6Very high95.1Very high0 Ų042.9 Ų42.90%022%0.217CC..EExtended strand (participates in β ladder)trans-100.2119173.4-53.5177.9000107.3G57 Q58 V60 T93 M95 V129 V133 M144 A147 L148 I151G57-I131 CarbonylContact C-O 3.57Å; G57-I131 WeakPolarHBondContact CA-O 3.49Å; Q58-I131 PolarHBondContact N-O 2.98Å; Q58-I131 PolarHBondContact O-N 3.02Å; V60-I131 HydrophobicContact CG2-CD1 3.98Å; V60-I131 HydrophobicContact CG2-CG1 4.49Å; T93-I131 HydrophobicContact CG2-CG2 4.12Å; M95-I131 HydrophobicContact CE-CD1 4.41Å; M95-I131 HydrophobicContact CG-CG1 4.3Å; V129-I131 HydrophobicContact CG1-CG1 4.31Å; I131-V133 HydrophobicContact CG2-CG2 4.47Å; I131-M144 HydrophobicContact CB-SD 4.04Å; I131-M144 HydrophobicContact CG2-CE 4.26Å; I131-M144 HydrophobicContact CG2-SD 3.74Å; I131-A147 HydrophobicContact CD1-CB 4.3Å; I131-A147 HydrophobicContact CG2-CB 4.07Å; I131-L148 HydrophobicContact CD1-CD2 4.03Å; I131-I151 HydrophobicContact CD1-CD1 4.09Å; I131-I151 HydrophobicContact CD1-CG2 4.37Å
132E97.3Very high95.5Very high29 Ų2941.9 Ų41.914%0.13623%0.225CC..EExtended strand (participates in β ladder)trans-112.8133.4175.8-55.9-176.5104.900109.7K55 L56 K94 L130K55-E132 WeakPolarHBondContact CE-OE1 3.35Å; K55-E132 IonicContact NZ-OE1 3.6Å; K55-E132 PolarHBondContact NZ-OE1 3.25Å; L56-E132 CarbonylContact O-C 3.54Å; L56-E132 VanDerWaalsContact O-CA 3.29Å; L56-E132 WeakPolarHBondContact O-CA 3.26Å; K94-E132 HydrophobicContact CB-CB 4.31Å; K94-E132 PolarHBondContact N-O 3.17Å; K94-E132 IonicContact NZ-OE2 3.42Å; K94-E132 PolarHBondContact NZ-OE2 2.94Å; K94-E132 PolarHBondContact O-N 3.34Å; L130-E132 HydrophobicContact CD1-CG 4.46Å; L130-E132 HydrophobicContact CD2-CG 4.01Å; L130-E132 HydrophobicContact CG-CG 3.91Å
133V97.4Very high95.8Very high2 Ų242.9 Ų42.91%0.01223%0.227CC..EExtended strand (participates in β ladder)trans-123.3136.4177.1-174.30000108.9K55 L56 T93 I131 A135 A140 R143 M144K55-V133 WeakPolarHBondContact CA-O 3.3Å; L56-V133 HydrophobicContact CB-CB 4.44Å; L56-V133 PolarHBondContact N-O 2.99Å; L56-V133 PolarHBondContact O-N 3.3Å; T93-V133 HydrophobicContact CG2-CG2 3.55Å; I131-V133 HydrophobicContact CG2-CG2 4.47Å; V133-A135 HydrophobicContact CG1-CB 4.22Å; V133-A140 HydrophobicContact CG1-CB 4.16Å; V133-R143 HydrophobicContact CG1-CB 4Å; V133-M144 HydrophobicContact CB-CE 4.43Å; V133-M144 HydrophobicContact CG2-CB 4.31Å; V133-M144 HydrophobicContact CG2-CE 3.69Å; V133-M144 HydrophobicContact CG2-SD 4.33Å
134F95.8Very high96Very high140 Ų14043.7 Ų43.761%0.61423%0.231SC*.EExtended strand (participates in β ladder)trans-128.599174.7-177.1-109.9000109.3N53N53-F134 HydrophobicContact CB-CD2 4.22Å; N53-F134 HydrophobicContact CB-CE1 4Å; N53-F134 HydrophobicContact CB-CE2 3.62Å; N53-F134 HydrophobicContact CB-CZ 3.5Å; N53-F134 WeakPolarHBondContact ND2-CE1 3.34Å
135A95.6Very high96.3Very high1 Ų142.4 Ų42.41%0.00823%0.234CC..EExtended strand (participates in β ladder)trans-159.2170-174.300000109.9N53 M54 V133 E139 A140N53-A135 WeakPolarHBondContact CA-O 3.32Å; M54-A135 PolarHBondContact N-O 3.38Å; M54-A135 PolarHBondContact O-N 2.63Å; V133-A135 HydrophobicContact CG1-CB 4.22Å; A135-E139 HydrophobicContact CB-CB 4.2Å; A135-A140 HydrophobicContact CB-CB 4.13Å
136P95.7Very high96.5Very high23 Ų2344.5 Ų44.515%0.14924%0.242CC..  trans-56.9148.9168.3-23.734.6000111.4A138 E139 A140P136-A138 PolarHBondContact O-N 3.12Å; P136-E139 PolarHBondContact O-N 3.39Å; P136-E139 VanDerWaalsContact O-N 3.08Å; P136-A140 WeakPolarHBondContact O-CB 3.13Å; P136-A140 PolarHBondContact O-N 3.15Å
137P93.9Very high96.5Very high13 Ų1340.7 Ų40.78%0.08422%0.221CC..Hα-helixtrans-45.3-54-171.7-32.631.5000116.1I46 N51 K52 M54 E139 A140 Y141I46-P137 HydrophobicContact CD1-CB 4.2Å; I46-P137 HydrophobicContact CG2-CB 3.66Å; I46-P137 HydrophobicContact CG2-CG 3.21Å; N51-P137 WeakPolarHBondContact OD1-CD 3.5Å; K52-P137 VanDerWaalsContact O-CD 3.32Å; K52-P137 WeakPolarHBondContact O-CD 3.46Å; M54-P137 HydrophobicContact CG-CG 4.3Å; M54-P137 HydrophobicContact SD-CB 3.78Å; M54-P137 HydrophobicContact SD-CG 3.92Å; P137-E139 PolarHBondContact O-N 3.15Å; P137-A140 PolarHBondContact O-N 2.78Å; P137-Y141 WeakPolarHBondContact O-CD2 3.16Å; P137-Y141 PolarHBondContact O-N 3.34Å
138A94.9Very high96.6Very high82 Ų8243 Ų4368%0.67823%0.234SC*.Hα-helixtrans-61.1-45-178.300000111.9P136 A142P136-A138 PolarHBondContact O-N 3.12Å; A138-A142 PolarHBondContact O-N 2.7Å
139E96.1Very high96.5Very high94 Ų9447.8 Ų47.844%0.43926%0.256SS..Hα-helixtrans-69.4-34.8177.6-65.6-172.9-166.800112.4A135 P136 P137 A142 R143A135-E139 HydrophobicContact CB-CB 4.2Å; P136-E139 PolarHBondContact O-N 3.39Å; P136-E139 VanDerWaalsContact O-N 3.08Å; P137-E139 PolarHBondContact O-N 3.15Å; E139-A142 PolarHBondContact O-N 3.17Å; E139-R143 WeakPolarHBondContact O-CB 3.38Å; E139-R143 VanDerWaalsContact O-CG 3.26Å; E139-R143 WeakPolarHBondContact O-CG 3.41Å; E139-R143 PolarHBondContact O-N 2.98Å; E139-R143 IonicContact OE2-CZ 2.68Å; E139-R143 IonicContact OE2-NE 3.63Å; E139-R143 IonicContact OE2-NH2 3.12Å; E139-R143 PolarHBondContact OE2-NH2 3.09Å
140A96.1Very high96.4Very high0 Ų049.7 Ų49.70%027%0.265CS..Hα-helixtrans-62.4-45.9-178.300000111.1M54 L56 V133 A135 P136 P137 M144M54-A140 HydrophobicContact CG-CB 4.17Å; L56-A140 HydrophobicContact CD1-CB 3.64Å; L56-A140 HydrophobicContact CG-CB 4.19Å; V133-A140 HydrophobicContact CG1-CB 4.16Å; A135-A140 HydrophobicContact CB-CB 4.13Å; P136-A140 WeakPolarHBondContact O-CB 3.13Å; P136-A140 PolarHBondContact O-N 3.15Å; P137-A140 PolarHBondContact O-N 2.78Å; A140-M144 WeakPolarHBondContact O-CB 3.38Å; A140-M144 PolarHBondContact O-N 2.83Å
141Y96.4Very high96.3Very high138 Ų13848.2 Ų48.254%0.54126%0.257SS..Hα-helixtrans-66.5-40.3175.2-74.8-73.5000112.2I46 M54 L56 P137 M144 G145I46-Y141 HydrophobicContact CD1-CE2 4.41Å; M54-Y141 HydrophobicContact SD-CE2 4.23Å; L56-Y141 HydrophobicContact CD1-CD1 3.76Å; L56-Y141 HydrophobicContact CD1-CD2 4.16Å; L56-Y141 HydrophobicContact CD1-CE1 3.84Å; L56-Y141 HydrophobicContact CD1-CE2 4.22Å; L56-Y141 HydrophobicContact CD1-CG 3.92Å; L56-Y141 HydrophobicContact CD2-CE1 4.18Å; P137-Y141 WeakPolarHBondContact O-CD2 3.16Å; P137-Y141 PolarHBondContact O-N 3.34Å; Y141-M144 PolarHBondContact O-N 3.37Å; Y141-G145 PolarHBondContact O-N 2.74Å
142A97.1Very high96.1Very high66 Ų6653.2 Ų53.255%0.54528%0.279SS..Hα-helixtrans-62.2-46.5177.100000112.2A138 E139 G145 H146A138-A142 PolarHBondContact O-N 2.7Å; E139-A142 PolarHBondContact O-N 3.17Å; A142-G145 PolarHBondContact O-N 2.85Å; A142-H146 PolarHBondContact O-N 2.73Å
143R97.3Very high95.8Very high65 Ų6556.6 Ų56.625%0.24529%0.293CS..Hα-helixtrans-64.5-39.3176.6-70.6174.5-167-168.19.9111.9T93 V133 E139 H146 A147T93-R143 HydrophobicContact CG2-CB 4.45Å; V133-R143 HydrophobicContact CG1-CB 4Å; E139-R143 WeakPolarHBondContact O-CB 3.38Å; E139-R143 VanDerWaalsContact O-CG 3.26Å; E139-R143 WeakPolarHBondContact O-CG 3.41Å; E139-R143 PolarHBondContact O-N 2.98Å; E139-R143 IonicContact OE2-CZ 2.68Å; E139-R143 IonicContact OE2-NE 3.63Å; E139-R143 IonicContact OE2-NH2 3.12Å; E139-R143 PolarHBondContact OE2-NH2 3.09Å; R143-H146 PolarHBondContact O-N 3.3Å; R143-A147 WeakPolarHBondContact O-CB 3.37Å; R143-A147 PolarHBondContact O-N 2.67Å
144M97.4Very high95.6Very high17 Ų1757.4 Ų57.48%0.08430%0.296CS..Hα-helixtrans-61.7-47.3175-174.162.977.200111.2L56 Q58 I131 V133 A140 Y141 H146 A147 L148L56-M144 HydrophobicContact CB-CE 3.85Å; Q58-M144 HydrophobicContact CB-CE 3.95Å; Q58-M144 HydrophobicContact CB-SD 3.71Å; I131-M144 HydrophobicContact CB-SD 4.04Å; I131-M144 HydrophobicContact CG2-CE 4.26Å; I131-M144 HydrophobicContact CG2-SD 3.74Å; V133-M144 HydrophobicContact CB-CE 4.43Å; V133-M144 HydrophobicContact CG2-CB 4.31Å; V133-M144 HydrophobicContact CG2-CE 3.69Å; V133-M144 HydrophobicContact CG2-SD 4.33Å; A140-M144 WeakPolarHBondContact O-CB 3.38Å; A140-M144 PolarHBondContact O-N 2.83Å; Y141-M144 PolarHBondContact O-N 3.37Å; M144-H146 PolarHBondContact O-N 2.75Å; M144-A147 PolarHBondContact O-N 3.4Å; M144-L148 HydrophobicContact CG-CD1 4.22Å; M144-L148 VanDerWaalsContact O-CG 3.29Å; M144-L148 WeakPolarHBondContact O-CG 3.4Å; M144-L148 PolarHBondContact O-N 3.22Å
145G97.3Very high95.5Very high40 Ų4051.5 Ų51.541%0.41227%0.271SS..Hα-helixtrans-59.8-45.5176.700000112.6Y141 A142 A147 L148 E149Y141-G145 PolarHBondContact O-N 2.74Å; A142-G145 PolarHBondContact O-N 2.85Å; G145-A147 PolarHBondContact O-N 3.42Å; G145-L148 PolarHBondContact O-N 3.28Å; G145-E149 PolarHBondContact O-N 3.1Å; G145-E149 VanDerWaalsContact O-N 3.13Å
146H97.3Very high95.2Very high91 Ų9155.9 Ų55.942%0.42129%0.293SS..Hα-helixtrans-60.9-45.1176.1-176.7-123.5000112.2A142 R143 M144 L148 E149 E150A142-H146 PolarHBondContact O-N 2.73Å; R143-H146 PolarHBondContact O-N 3.3Å; M144-H146 PolarHBondContact O-N 2.75Å; H146-L148 VanDerWaalsContact C-N 3.31Å; H146-L148 PolarHBondContact O-N 2.68Å; H146-E149 PolarHBondContact O-N 2.84Å; H146-E150 PolarHBondContact O-N 3.35Å; H146-E150 VanDerWaalsContact O-N 3.07Å
147A96.9Very high94.6Very high0 Ų056.6 Ų56.60%030%0.298CS..Hα-helixtrans-62.5-36.2177.100000113.1T91 T93 M95 I131 R143 M144 G145 I151T91-A147 HydrophobicContact CG2-CB 4.13Å; T93-A147 HydrophobicContact CG2-CB 3.76Å; M95-A147 HydrophobicContact CE-CB 3.88Å; I131-A147 HydrophobicContact CD1-CB 4.3Å; I131-A147 HydrophobicContact CG2-CB 4.07Å; R143-A147 WeakPolarHBondContact O-CB 3.37Å; R143-A147 PolarHBondContact O-N 2.67Å; M144-A147 PolarHBondContact O-N 3.4Å; G145-A147 PolarHBondContact O-N 3.42Å; A147-I151 WeakPolarHBondContact O-CB 3.21Å; A147-I151 WeakPolarHBondContact O-CG2 3.24Å; A147-I151 PolarHBondContact O-N 3.23Å
148L96.9Very high94Very high63 Ų6361 Ų6133%0.3332%0.321SS..Hα-helixtrans-68.5-34.5176.8-72.3172.3000112.8Q58 V60 I131 M144 G145 H146 I151 K152Q58-L148 HydrophobicContact CG-CD2 4.29Å; V60-L148 HydrophobicContact CG2-CD2 3.48Å; V60-L148 VanDerWaalsContact CG2-CD2 3.48Å; I131-L148 HydrophobicContact CD1-CD2 4.03Å; M144-L148 HydrophobicContact CG-CD1 4.22Å; M144-L148 VanDerWaalsContact O-CG 3.29Å; M144-L148 WeakPolarHBondContact O-CG 3.4Å; M144-L148 PolarHBondContact O-N 3.22Å; G145-L148 PolarHBondContact O-N 3.28Å; H146-L148 VanDerWaalsContact C-N 3.31Å; H146-L148 PolarHBondContact O-N 2.68Å; L148-I151 WeakPolarHBondContact O-CG2 3.42Å; L148-K152 PolarHBondContact O-N 3.42Å
149E95.9Very high92.9Very high106 Ų10668.1 Ų68.150%0.49533%0.332SS..Hα-helixtrans-72.5-42.2175.5-167.858.6-142.600111.3G145 H146 K152G145-E149 PolarHBondContact O-N 3.1Å; G145-E149 VanDerWaalsContact O-N 3.13Å; H146-E149 PolarHBondContact O-N 2.84Å; E149-K152 WeakPolarHBondContact O-CB 3.44Å; E149-K152 PolarHBondContact O-N 3.03Å
150E94.4Very high92.1Very high41 Ų4167.7 Ų67.719%0.19233%0.333CS..Hα-helixtrans-66.6-44.1178.4-70.1-55.5134.200112.4L87 T91 H146 K152 K153 F154L87-E150 HydrophobicContact CD1-CB 3.55Å; L87-E150 HydrophobicContact CD1-CG 4.33Å; T91-E150 HydrophobicContact CG2-CB 4.43Å; T91-E150 HydrophobicContact CG2-CG 4.31Å; H146-E150 PolarHBondContact O-N 3.35Å; H146-E150 VanDerWaalsContact O-N 3.07Å; E150-K152 PolarHBondContact O-N 2.87Å; E150-K153 WeakPolarHBondContact O-CB 3.27Å; E150-K153 PolarHBondContact O-N 3.42Å; E150-K153 IonicContact OE1-NZ 2.69Å; E150-K153 PolarHBondContact OE1-NZ 2.98Å; E150-K153 WeakPolarHBondContact OE2-CE 3.31Å; E150-K153 IonicContact OE2-NZ 2.87Å; E150-K153 PolarHBondContact OE2-NZ 3.07Å; E150-F154 WeakPolarHBondContact O-CD2 3.33Å
151I94.6Very high91.5Very high2 Ų268 Ų681%0.0133%0.334CS..Hα-helixtrans-63.7-29.5-179.4-160.6172.4000112.3L76 V129 I131 A147 L148 K153 F154 L155L76-I151 HydrophobicContact CD2-CG1 4.12Å; V129-I151 HydrophobicContact CB-CD1 3.75Å; V129-I151 HydrophobicContact CG1-CD1 3.74Å; V129-I151 HydrophobicContact CG2-CD1 3.95Å; I131-I151 HydrophobicContact CD1-CD1 4.09Å; I131-I151 HydrophobicContact CD1-CG2 4.37Å; A147-I151 WeakPolarHBondContact O-CB 3.21Å; A147-I151 WeakPolarHBondContact O-CG2 3.24Å; A147-I151 PolarHBondContact O-N 3.23Å; L148-I151 WeakPolarHBondContact O-CG2 3.42Å; I151-K153 PolarHBondContact O-N 3.23Å; I151-F154 WeakPolarHBondContact O-CA 3.44Å; I151-F154 WeakPolarHBondContact O-CB 3.45Å; I151-F154 PolarHBondContact O-N 3.26Å; I151-L155 HydrophobicContact CG1-CD1 4.33Å; I151-L155 HydrophobicContact CG1-CG 4.37Å; I151-L155 WeakPolarHBondContact O-CG 3.5Å; I151-L155 PolarHBondContact O-N 3.21Å; I151-L155 VanDerWaalsContact O-N 3.15Å
152K93.5Very high91.1Very high104 Ų10468 Ų6845%0.45234%0.339SS..Hα-helixtrans-58-36.6177.7-175.2-179.2172.5-169.20112L148 E149 E150 F154 L155 I156L148-K152 PolarHBondContact O-N 3.42Å; E149-K152 WeakPolarHBondContact O-CB 3.44Å; E149-K152 PolarHBondContact O-N 3.03Å; E150-K152 PolarHBondContact O-N 2.87Å; K152-F154 PolarHBondContact O-N 3.39Å; K152-L155 PolarHBondContact O-N 3.35Å; K152-L155 VanDerWaalsContact O-N 3.13Å; K152-I156 HydrophobicContact CD-CD1 4.39Å; K152-I156 HydrophobicContact CG-CD1 3.66Å; K152-I156 HydrophobicContact CG-CG1 4.33Å; K152-I156 WeakPolarHBondContact O-CG1 3.35Å; K152-I156 PolarHBondContact O-N 2.98Å; K152-I156 VanDerWaalsContact O-N 3.08Å
153K92.3Very high90.5Very high101 Ų10166.6 Ų66.644%0.43932%0.322SS..Hα-helixtrans-62.6-26.8175.9-55.2175.3-169.5166.50112.7K75 E150 I151 I163K75-K153 PolarHBondContact NZ-O 3.42Å; K75-K153 VanDerWaalsContact NZ-O 3.15Å; E150-K153 WeakPolarHBondContact O-CB 3.27Å; E150-K153 PolarHBondContact O-N 3.42Å; E150-K153 IonicContact OE1-NZ 2.69Å; E150-K153 PolarHBondContact OE1-NZ 2.98Å; E150-K153 WeakPolarHBondContact OE2-CE 3.31Å; E150-K153 IonicContact OE2-NZ 2.87Å; E150-K153 PolarHBondContact OE2-NZ 3.07Å; I151-K153 PolarHBondContact O-N 3.23Å; K153-I163 HydrophobicContact CB-CD1 4.11Å
154F92.5Very high90Very high18 Ų1870.2 Ų70.28%0.07934%0.336CS..Hα-helixtrans-84.4-30.9175.8-65.2-100.1000112.8K75 L76 L87 E150 I151 K152 I163K75-F154 HydrophobicContact CG-CD1 4.23Å; L76-F154 HydrophobicContact CD2-CB 3.42Å; L76-F154 VanDerWaalsContact CD2-CB 3.42Å; L76-F154 HydrophobicContact CD2-CD1 4.01Å; L76-F154 HydrophobicContact CD2-CG 3.76Å; L76-F154 HydrophobicContact CG-CB 4.05Å; L87-F154 HydrophobicContact CD1-CE2 4.32Å; L87-F154 HydrophobicContact CD2-CD2 4.23Å; L87-F154 HydrophobicContact CD2-CE2 3.89Å; L87-F154 HydrophobicContact CD2-CZ 4.31Å; E150-F154 WeakPolarHBondContact O-CD2 3.33Å; I151-F154 WeakPolarHBondContact O-CA 3.44Å; I151-F154 WeakPolarHBondContact O-CB 3.45Å; I151-F154 PolarHBondContact O-N 3.26Å; K152-F154 PolarHBondContact O-N 3.39Å; F154-I163 HydrophobicContact CD1-CD1 4Å; F154-I163 HydrophobicContact CD1-CG2 3.99Å; F154-I163 HydrophobicContact CD2-CD1 4.09Å; F154-I163 HydrophobicContact CE1-CD1 3.94Å; F154-I163 HydrophobicContact CE1-CG1 4.5Å; F154-I163 HydrophobicContact CE1-CG2 3.58Å; F154-I163 HydrophobicContact CE2-CD1 4.01Å; F154-I163 HydrophobicContact CG-CD1 4.07Å; F154-I163 HydrophobicContact CZ-CD1 3.94Å; F154-I163 HydrophobicContact CZ-CG2 4.32Å
155L92.6Very high89.5Confident16 Ų1673.9 Ų73.98%0.08435%0.353CS..Hα-helixtrans-88.6-11.5-175.8-61.7-177.6000114.3V60 I62 P63 F72 L76 I151 K152V60-L155 HydrophobicContact CG1-CD1 3.64Å; I62-L155 HydrophobicContact CB-CD2 4.36Å; I62-L155 HydrophobicContact CD1-CD2 4.35Å; I62-L155 HydrophobicContact CG1-CD2 3.94Å; I62-L155 HydrophobicContact CG2-CD2 4.1Å; P63-L155 WeakPolarHBondContact CG-O 3.37Å; F72-L155 HydrophobicContact CD1-CD2 4.31Å; F72-L155 WeakPolarHBondContact CE1-O 3.08Å; L76-L155 HydrophobicContact CD1-CD2 4.18Å; I151-L155 HydrophobicContact CG1-CD1 4.33Å; I151-L155 HydrophobicContact CG1-CG 4.37Å; I151-L155 WeakPolarHBondContact O-CG 3.5Å; I151-L155 PolarHBondContact O-N 3.21Å; I151-L155 VanDerWaalsContact O-N 3.15Å; K152-L155 PolarHBondContact O-N 3.35Å; K152-L155 VanDerWaalsContact O-N 3.13Å
156I89.3Confident89.1Confident93 Ų9374.5 Ų74.548%0.47735%0.354SS..SBendtrans-102.9116.2173.8-59.3175.7000108.2K152 D158K152-I156 HydrophobicContact CD-CD1 4.39Å; K152-I156 HydrophobicContact CG-CD1 3.66Å; K152-I156 HydrophobicContact CG-CG1 4.33Å; K152-I156 WeakPolarHBondContact O-CG1 3.35Å; K152-I156 PolarHBondContact O-N 2.98Å; K152-I156 VanDerWaalsContact O-N 3.08Å; I156-D158 PolarHBondContact O-N 2.76Å
157P84.4Confident88.8Confident38 Ų3871.2 Ų71.225%0.24734%0.339CS..  trans-66.1124.3169.8-18.932.6000109.9F67 F70 F72F67-P157 HydrophobicContact CB-CG 4.41Å; F67-P157 HydrophobicContact CD1-CG 4.11Å; F67-P157 HydrophobicContact CD2-CG 4.15Å; F67-P157 HydrophobicContact CE1-CG 4.42Å; F67-P157 HydrophobicContact CE2-CG 4.46Å; F67-P157 HydrophobicContact CG-CG 3.96Å; F70-P157 HydrophobicContact CB-CG 4.46Å; F70-P157 HydrophobicContact CD1-CG 4.13Å; F70-P157 HydrophobicContact CD2-CB 3.88Å; F70-P157 HydrophobicContact CD2-CG 4Å; F70-P157 HydrophobicContact CE1-CG 4.3Å; F70-P157 HydrophobicContact CE2-CB 3.81Å; F70-P157 HydrophobicContact CE2-CG 4.2Å; F70-P157 HydrophobicContact CG-CB 4.34Å; F70-P157 HydrophobicContact CG-CG 3.93Å; F70-P157 HydrophobicContact CZ-CB 4.2Å; F70-P157 HydrophobicContact CZ-CG 4.32Å; F72-P157 HydrophobicContact CE1-CG 4.07Å; F72-P157 HydrophobicContact CZ-CG 4.04Å
158D81.8Confident88.4Confident107 Ų10776.1 Ų76.157%0.57236%0.364SS*.  trans-112.6149.5172.9-161.4-30.2000109.5I156 N160I156-D158 PolarHBondContact O-N 2.76Å; D158-N160 VanDerWaalsContact C-N 3.31Å; D158-N160 PolarHBondContact OD1-N 3.04Å; D158-N160 VanDerWaalsContact OD1-N 3.07Å
159Y69.9Low88Confident231 Ų23180.1 Ų80.191%0.90638%0.382SS*.THydrogen-bonded Turntrans-64.3-38.3170.6-173.1-99.4000111D161Y159-D161 PolarHBondContact O-N 3.47Å
160N79.5Confident87.7Confident85 Ų8576.7 Ų76.746%0.45537%0.365SS..THydrogen-bonded Turntrans-100.367.4173.5-168.134.1000111.5D158 E162 Q165D158-N160 VanDerWaalsContact C-N 3.31Å; D158-N160 PolarHBondContact OD1-N 3.04Å; D158-N160 VanDerWaalsContact OD1-N 3.07Å; N160-E162 PolarHBondContact O-N 3.13Å; N160-Q165 PolarHBondContact OD1-NE2 3.14Å; N160-Q165 VanDerWaalsContact OD1-NE2 3.14Å
161D85.4Confident87.4Confident6 Ų678.2 Ų78.23%0.03237%0.374CS..  trans-75.885.8-178.1-162.7-29.2000111.9K75 Y159 I163 R164 Q165K75-D161 WeakPolarHBondContact CD-OD2 3.39Å; K75-D161 WeakPolarHBondContact CE-OD1 3.46Å; K75-D161 WeakPolarHBondContact CE-OD2 3.48Å; K75-D161 IonicContact NZ-OD1 3.13Å; K75-D161 PolarHBondContact NZ-OD1 2.84Å; K75-D161 VanDerWaalsContact NZ-OD1 3.17Å; K75-D161 IonicContact NZ-OD2 3.7Å; K75-D161 PolarHBondContact NZ-OD2 2.84Å; Y159-D161 PolarHBondContact O-N 3.47Å; D161-I163 PolarHBondContact O-N 3.17Å; D161-I163 WeakPolarHBondContact OD1-CB 3.34Å; D161-I163 PolarHBondContact OD1-N 2.95Å; D161-R164 HydrophobicContact CB-CB 3.89Å; D161-R164 PolarHBondContact O-N 2.95Å; D161-R164 PolarHBondContact OD1-N 3.18Å; D161-Q165 WeakPolarHBondContact O-CG 3.5Å; D161-Q165 PolarHBondContact O-N 3.07Å; D161-Q165 VanDerWaalsContact O-N 3.1Å
162E86.4Confident87.1Confident137 Ų13781.5 Ų81.564%0.6440%0.395SS*.Hα-helixtrans-57-37.5178-64-176.6170.100112.2N160 R164 Q165 A166N160-E162 PolarHBondContact O-N 3.13Å; E162-R164 PolarHBondContact O-N 3.28Å; E162-Q165 PolarHBondContact O-N 3.21Å; E162-A166 WeakPolarHBondContact O-CB 3.38Å; E162-A166 PolarHBondContact O-N 3.4Å
163I85.4Confident86.7Confident38 Ų3884.2 Ų84.220%0.19540%0.403CS..Hα-helixtrans-61.8-48.1178.5-63.6168.1000109.7K75 K153 F154 D161 Q165 A166 Q167K75-I163 HydrophobicContact CG-CG2 4.08Å; K153-I163 HydrophobicContact CB-CD1 4.11Å; F154-I163 HydrophobicContact CD1-CD1 4Å; F154-I163 HydrophobicContact CD1-CG2 3.99Å; F154-I163 HydrophobicContact CD2-CD1 4.09Å; F154-I163 HydrophobicContact CE1-CD1 3.94Å; F154-I163 HydrophobicContact CE1-CG1 4.5Å; F154-I163 HydrophobicContact CE1-CG2 3.58Å; F154-I163 HydrophobicContact CE2-CD1 4.01Å; F154-I163 HydrophobicContact CG-CD1 4.07Å; F154-I163 HydrophobicContact CZ-CD1 3.94Å; F154-I163 HydrophobicContact CZ-CG2 4.32Å; D161-I163 PolarHBondContact O-N 3.17Å; D161-I163 WeakPolarHBondContact OD1-CB 3.34Å; D161-I163 PolarHBondContact OD1-N 2.95Å; I163-Q165 VanDerWaalsContact C-N 3.31Å; I163-Q165 PolarHBondContact O-N 3Å; I163-A166 PolarHBondContact O-N 2.95Å; I163-Q167 WeakPolarHBondContact O-CB 3.33Å; I163-Q167 WeakPolarHBondContact O-CG 3.47Å; I163-Q167 PolarHBondContact O-N 3.42Å
164R86.6Confident86.5Confident141 Ų14182.2 Ų82.253%0.53240%0.397SS..Hα-helixtrans-62.7-38.9178-173.6-177.167.1110.50.4111.7D161 E162 L168D161-R164 HydrophobicContact CB-CB 3.89Å; D161-R164 PolarHBondContact O-N 2.95Å; D161-R164 PolarHBondContact OD1-N 3.18Å; E162-R164 PolarHBondContact O-N 3.28Å; R164-L168 WeakPolarHBondContact O-CB 3.18Å; R164-L168 PolarHBondContact O-N 3.1Å
165Q87.2Confident86.2Confident94 Ų9487.4 Ų87.444%0.43943%0.426SS..Hα-helixtrans-66.1-47.9178.1-67.217525.900111.4N160 D161 E162 I163 Q167 L168 Q169N160-Q165 PolarHBondContact OD1-NE2 3.14Å; N160-Q165 VanDerWaalsContact OD1-NE2 3.14Å; D161-Q165 WeakPolarHBondContact O-CG 3.5Å; D161-Q165 PolarHBondContact O-N 3.07Å; D161-Q165 VanDerWaalsContact O-N 3.1Å; E162-Q165 PolarHBondContact O-N 3.21Å; I163-Q165 VanDerWaalsContact C-N 3.31Å; I163-Q165 PolarHBondContact O-N 3Å; Q165-Q167 VanDerWaalsContact C-N 3.31Å; Q165-Q167 PolarHBondContact O-N 2.86Å; Q165-L168 PolarHBondContact O-N 3.12Å; Q165-L168 VanDerWaalsContact O-N 3.15Å; Q165-Q169 WeakPolarHBondContact O-CB 3.42Å; Q165-Q169 PolarHBondContact O-N 3.28Å
166A87.8Confident85.4Confident53 Ų5389.7 Ų89.744%0.43845%0.453SS..Hα-helixtrans-59.6-41.9176.600000111.8E162 I163 L168 Q169 E170E162-A166 WeakPolarHBondContact O-CB 3.38Å; E162-A166 PolarHBondContact O-N 3.4Å; I163-A166 PolarHBondContact O-N 2.95Å; A166-L168 PolarHBondContact O-N 3.24Å; A166-Q169 PolarHBondContact O-N 2.9Å; A166-E170 WeakPolarHBondContact O-CB 3.21Å; A166-E170 PolarHBondContact O-N 3.05Å
167Q91.1Very high84.2Confident21 Ų2186.6 Ų86.610%0.09844%0.444CS..Hα-helixtrans-64.1-38.9175.5-75.5175.81.600112.9K75 S83 I163 Q165 L171K75-Q167 PolarHBondContact O-NE2 3.15Å; S83-Q167 VanDerWaalsContact CB-NE2 3.27Å; S83-Q167 WeakPolarHBondContact OG-CG 3.11Å; S83-Q167 PolarHBondContact OG-NE2 3.43Å; I163-Q167 WeakPolarHBondContact O-CB 3.33Å; I163-Q167 WeakPolarHBondContact O-CG 3.47Å; I163-Q167 PolarHBondContact O-N 3.42Å; Q165-Q167 VanDerWaalsContact C-N 3.31Å; Q165-Q167 PolarHBondContact O-N 2.86Å; Q167-L171 VanDerWaalsContact O-CB 3.31Å; Q167-L171 WeakPolarHBondContact O-CB 3.38Å; Q167-L171 PolarHBondContact O-N 2.9Å
168L88.3Confident82.7Confident103 Ų10388.9 Ų88.954%0.53946%0.461SS..Hα-helixtrans-70.8-38.1178.5-171.163.4000111.7R164 Q165 A166 L171 T172R164-L168 WeakPolarHBondContact O-CB 3.18Å; R164-L168 PolarHBondContact O-N 3.1Å; Q165-L168 PolarHBondContact O-N 3.12Å; Q165-L168 VanDerWaalsContact O-N 3.15Å; A166-L168 PolarHBondContact O-N 3.24Å; L168-L171 PolarHBondContact O-N 3.01Å; L168-T172 PolarHBondContact O-N 3.49Å; L168-T172 PolarHBondContact O-OG1 3.31Å
169Q89.5Confident81.4Confident148 Ų14892.1 Ų92.169%0.69247%0.473SS*.Hα-helixtrans-62.6-48.4172.3-173.7-179.621.900110.7Q165 A166 L171 T172 Y173Q165-Q169 WeakPolarHBondContact O-CB 3.42Å; Q165-Q169 PolarHBondContact O-N 3.28Å; A166-Q169 PolarHBondContact O-N 2.9Å; Q169-L171 PolarHBondContact O-N 2.93Å; Q169-T172 WeakPolarHBondContact O-CB 3.31Å; Q169-T172 PolarHBondContact O-N 2.89Å; Q169-Y173 PolarHBondContact O-N 3.19Å
170E89.1Confident80.3Confident33 Ų3387.6 Ų87.615%0.15446%0.464CS..Hα-helixtrans-59.7-45.1176.6-180175.6-176.700111.4P79 N82 R86 A166 T172 Y173 L174P79-E170 HydrophobicContact CG-CB 4.13Å; P79-E170 HydrophobicContact CG-CG 3.87Å; N82-E170 PolarHBondContact ND2-OE1 3.41Å; R86-E170 IonicContact CZ-OE1 2.78Å; R86-E170 IonicContact CZ-OE2 2.86Å; R86-E170 IonicContact NH1-OE1 2.74Å; R86-E170 IonicContact NH1-OE2 3.91Å; R86-E170 PolarHBondContact NH1-OE2 3.07Å; R86-E170 IonicContact NH2-OE1 3.62Å; R86-E170 PolarHBondContact NH2-OE1 3.43Å; R86-E170 IonicContact NH2-OE2 2.9Å; R86-E170 PolarHBondContact NH2-OE2 3.25Å; R86-E170 VanDerWaalsContact NH2-OE2 3.13Å; A166-E170 WeakPolarHBondContact O-CB 3.21Å; A166-E170 PolarHBondContact O-N 3.05Å; E170-T172 VanDerWaalsContact C-N 3.29Å; E170-T172 PolarHBondContact O-N 3.44Å; E170-Y173 PolarHBondContact O-N 3.43Å; E170-L174 HydrophobicContact CG-CD1 3.89Å; E170-L174 HydrophobicContact CG-CG 4.28Å; E170-L174 WeakPolarHBondContact O-CB 3.45Å; E170-L174 WeakPolarHBondContact O-CG 3.47Å; E170-L174 PolarHBondContact O-N 3.43Å
171L88.7Confident78.8Confident73 Ų7387.1 Ų87.138%0.38247%0.472SS..Hα-helixtrans-59.7-39.9177.1-175.168.7000112.2P79 Q167 L168 Q169 L174 N175P79-L171 HydrophobicContact CB-CB 4.31Å; P79-L171 HydrophobicContact CB-CD1 4.03Å; Q167-L171 VanDerWaalsContact O-CB 3.31Å; Q167-L171 WeakPolarHBondContact O-CB 3.38Å; Q167-L171 PolarHBondContact O-N 2.9Å; L168-L171 PolarHBondContact O-N 3.01Å; Q169-L171 PolarHBondContact O-N 2.93Å; L171-L174 PolarHBondContact O-N 2.94Å; L171-N175 WeakPolarHBondContact O-CB 3.46Å; L171-N175 VanDerWaalsContact O-CG 3.25Å; L171-N175 PolarHBondContact O-N 3.49Å; L171-N175 PolarHBondContact O-ND2 2.89Å
172T88.1Confident76.9Confident71 Ų7194 Ų9444%0.43651%0.509SS..Hα-helixtrans-64.2-45.5178.3-58.10000111.2L168 Q169 E170 L174 N175 G176 G177L168-T172 PolarHBondContact O-N 3.49Å; L168-T172 PolarHBondContact O-OG1 3.31Å; Q169-T172 WeakPolarHBondContact O-CB 3.31Å; Q169-T172 PolarHBondContact O-N 2.89Å; E170-T172 VanDerWaalsContact C-N 3.29Å; E170-T172 PolarHBondContact O-N 3.44Å; T172-L174 PolarHBondContact O-N 3.5Å; T172-N175 PolarHBondContact O-N 3.05Å; T172-G176 PolarHBondContact O-N 3.26Å; T172-G177 WeakPolarHBondContact O-CA 3.49Å; T172-G177 PolarHBondContact O-N 3.24Å
173Y86.1Confident75.1Confident161 Ų16193 Ų9363%0.63151%0.512SS*.Hα-helixtrans-61.5-44.3176.3-175.5-98.4000111.9Q169 E170 N175 G176Q169-Y173 PolarHBondContact O-N 3.19Å; E170-Y173 PolarHBondContact O-N 3.43Å; Y173-N175 VanDerWaalsContact C-N 3.28Å; Y173-N175 PolarHBondContact O-N 3.06Å; Y173-G176 PolarHBondContact O-N 3.23Å
174L86.1Confident73.2Confident60 Ų6097.2 Ų97.231%0.31454%0.542SS..Hα-helixtrans-66.9-27.8179.8-69177.6000114P79 E170 L171 T172 G176P79-L174 HydrophobicContact CB-CD1 4.35Å; E170-L174 HydrophobicContact CG-CD1 3.89Å; E170-L174 HydrophobicContact CG-CG 4.28Å; E170-L174 WeakPolarHBondContact O-CB 3.45Å; E170-L174 WeakPolarHBondContact O-CG 3.47Å; E170-L174 PolarHBondContact O-N 3.43Å; L171-L174 PolarHBondContact O-N 2.94Å; T172-L174 PolarHBondContact O-N 3.5Å; L174-G176 PolarHBondContact O-N 3.28Å
175N87.1Confident71.4Confident126 Ų12695.9 Ų95.967%0.67455%0.549SS*.THydrogen-bonded Turntrans-83.96175.1-68.9-21.2000112.9L171 T172 Y173L171-N175 WeakPolarHBondContact O-CB 3.46Å; L171-N175 VanDerWaalsContact O-CG 3.25Å; L171-N175 PolarHBondContact O-N 3.49Å; L171-N175 PolarHBondContact O-ND2 2.89Å; T172-N175 PolarHBondContact O-N 3.05Å; Y173-N175 VanDerWaalsContact C-N 3.28Å; Y173-N175 PolarHBondContact O-N 3.06Å
176G76.4Confident69.7Low65 Ų6598.4 Ų98.467%0.6757%0.57SS**THydrogen-bonded Turntrans82.719.9178.300000114.2T172 Y173 L174 S178T172-G176 PolarHBondContact O-N 3.26Å; Y173-G176 PolarHBondContact O-N 3.23Å; L174-G176 PolarHBondContact O-N 3.28Å; G176-S178 PolarHBondContact O-N 3.28Å; G176-S178 VanDerWaalsContact O-N 3.17Å
177G63.7Low67.4Low27 Ų27106.8 Ų106.828%0.27859%0.591SS.*  trans-64.9111.3165.500000108.9T172T172-G177 WeakPolarHBondContact O-CA 3.49Å; T172-G177 PolarHBondContact O-N 3.24Å
178S52.6Low65Low86 Ų86108.9 Ų108.960%0.60162%0.618SS**  trans-56.8144.8174.647.30000110.3G176 N180 A181G176-S178 PolarHBondContact O-N 3.28Å; G176-S178 VanDerWaalsContact O-N 3.17Å; S178-N180 PolarHBondContact O-N 2.8Å; S178-A181 PolarHBondContact O-N 3.36Å
179E55.1Low62.9Low175 Ų175113.7 Ų113.782%0.81863%0.634SS**THydrogen-bonded Turntrans-59.610.117964.4-155.4118.400115.6
180N45.9Very low60.8Low136 Ų136112.3 Ų112.373%0.72764%0.638SS**THydrogen-bonded Turntrans-119.913.6-179.9-69.1-75.3000113.5S178 D182S178-N180 PolarHBondContact O-N 2.8Å; N180-D182 PolarHBondContact O-N 3.45Å
181A47.4Very low58.4Low75 Ų75117.9 Ų117.962%0.6268%0.675SS**  trans-81.791.7164.400000108S178 V183S178-A181 PolarHBondContact O-N 3.36Å; A181-V183 PolarHBondContact O-N 3.35Å; A181-V183 VanDerWaalsContact O-N 3.16Å
182D45.8Very low56.3Low151 Ų151121.5 Ų121.581%0.80769%0.694SS**  trans-37.7125.3159.2-83-42.8000108.4N180N180-D182 PolarHBondContact O-N 3.45Å
183V49.4Very low54.1Low116 Ų116128.9 Ų128.970%0.70371%0.713SS**  trans-33.5125.6164.4-95.90000109.1A181 V185A181-V183 PolarHBondContact O-N 3.35Å; A181-V183 VanDerWaalsContact O-N 3.16Å; V183-V185 PolarHBondContact O-N 3.16Å
184P45.5Very low51.7Low127 Ų127127.9 Ų127.983%0.82572%0.724SS**  trans-70.488.2175.627.8-30.1000107.4V186P184-V186 PolarHBondContact O-N 3.06Å; P184-V186 VanDerWaalsContact O-N 3.16Å
185V48.5Very low49.3Very low112 Ų112136.6 Ų136.668%0.67975%0.753SS**  trans-60.4116.6163.8173.80000105.7V183 R187V183-V185 PolarHBondContact O-N 3.16Å; V185-R187 VanDerWaalsContact C-N 3.35Å; V185-R187 PolarHBondContact O-N 2.83Å
186V51.5Low46.6Very low147 Ų147134.2 Ų134.289%0.89176%0.759SS**  trans-52.8100.3166.4172.10000107.7P184P184-V186 PolarHBondContact O-N 3.06Å; P184-V186 VanDerWaalsContact O-N 3.16Å
187R39.3Very low44.8Very low230 Ų230137.9 Ų137.987%0.86877%0.768SS**  trans-134.5101.1170.6-151174-160.1176.25.6110V185V185-R187 VanDerWaalsContact C-N 3.35Å; V185-R187 PolarHBondContact O-N 2.83Å
188G40.9Very low44.1Very low64 Ų64142.2 Ų142.266%0.6679%0.791SS**  trans-64.9139.7167.900000111.6
189K45.2Very low43.3Very low205 Ų205142.5 Ų142.589%0.89180%0.799SS**  trans114.4129.7154.5-66.1179.4175.3178.50115.7
190P44.8Very low42.9Very low119 Ų119140.2 Ų140.277%0.77380%0.799SS**  trans-92.8144.6176.536.4-29.9000111
191T39.3Very low42.4Very low150 Ų150138.2 Ų138.292%0.9280%0.801SS**  trans-113.911116343.20000110.3
192L44.2Very low42.2Very low149 Ų149142.7 Ų142.778%0.7881%0.813SS**  trans-73.4151.1166.9-102.6153.7000111
193R41.6Very low41.8Very low225 Ų225141.1 Ų141.185%0.84981%0.809SS**  trans83.4128.1161.7-59.2168.3-174.8-155.51.5115.2
194T34.8Very low41.2Very low140 Ų140147.4 Ų147.486%0.85982%0.82SS**  -159.6152.568.9-61.90000113.9
195R36.8Very low40.5Very low243 Ų243144.7 Ų144.792%0.91782%0.815SS**  trans-81.9148.8-174.9167-172.4176.2179.2-0.4113.2
196G30.6Very low39.7Very low77 Ų77151.9 Ų151.979%0.79483%0.83SS**  trans154.4115.2154.800000118
197V37.9Very low38.8Very low142 Ų142148.6 Ų148.686%0.86183%0.826SS**  trans-77-174.1176.9-127.40000112.4
198P49.8Very low38.4Very low117 Ų117141 Ų14176%0.7682%0.819SS**  cis-134-177.6-18.330.8-6.8000115.6
199A35.6Very low38.2Very low93 Ų93144.6 Ų144.677%0.76983%0.827SS**  trans-61.1174.1178.300000116.6
200P45.7Very low37.7Very low127 Ų127140.3 Ų140.383%0.82582%0.818SS**  trans-126.4145.9133.935.8-25000113.3
201A36.4Very low37.3Very low94 Ų94141.1 Ų141.178%0.77782%0.821SS**  trans-94.9143.6169.100000110.3
202I43.5Very low37.1Very low169 Ų169144.4 Ų144.487%0.86782%0.817SS**  trans-134.9128.1158.2-57.8-178.7000109.4
203T36.4Very low37.4Very low117 Ų117142 Ų14272%0.71881%0.81SS**  trans-78.1145.1177.854.80000112.2
204R36.7Very low37.2Very low249 Ų249137.1 Ų137.194%0.9481%0.805SS**  132.6139.696.7-126.6178.7-160172.86106
205G31.7Very low37.2Very low69 Ų69134.2 Ų134.271%0.71180%0.804SS**  cis173.8-1760.400000110.5
206R32Very low37.2Very low264 Ų264128.8 Ų128.8100%0.99680%0.797SS**  trans87.4123.1164.9-134.2177-168.6-175.92115.7
207G30.8Very low37.3Very low78 Ų78131.5 Ų131.580%0.80480%0.798SS**  cis171.1159.21.200000109.9
208G32.6Very low37.3Very low70 Ų70130.6 Ų130.672%0.72279%0.792SS**  trans104.897169.800000114.9
209V36.2Very low37.3Very low139 Ų139130.7 Ų130.784%0.84279%0.793SS**  60.3111.180.6-174.60000110
210T34.8Very low37.4Very low115 Ų115138.3 Ų138.371%0.70680%0.802SS**  -160.5161.655.449.60000114.7
211T35.4Very low36.7Very low136 Ų136135.9 Ų135.983%0.83480%0.8SS**  trans77109.114850.60000122.6
212R35.9Very low36.8Very low219 Ų219138 Ų13883%0.82680%0.804SS**  trans-85.1-168.2158.4-50.7173.685.9-145.710.2109.9
213P50.3Low36.9Very low98 Ų98135.9 Ų135.964%0.63680%0.801SS**  cis-130.5153.6-16.516.29.8000114.3
214V38.1Very low37Very low123 Ų123136.5 Ų136.575%0.74581%0.805SS**  56.9123.9104.3-164.80000117.7
215G33.5Very low37.6Very low80 Ų80130.1 Ų130.183%0.82580%0.795SS**  trans-161.3104.5156.300000111.6
216V37.9Very low37.7Very low128 Ų128138.7 Ų138.778%0.77681%0.806SS**  trans-93.5155.3171.2177.90000108.2
217V32.6Very low37.7Very low134 Ų134129.4 Ų129.481%0.81279%0.792SS**  trans142.3131.5137.21720000114.5
218V38.1Very low37.9Very low123 Ų123131.9 Ų131.975%0.74579%0.791SS**  trans-66.7151.9171.2178.50000110.7
219P50Low38.1Very low120 Ų120135.9 Ų135.978%0.77980%0.796SS**  -161.7155.288.739.3-14.8000121.4
220R37.4Very low38Very low253 Ų253133.6 Ų133.696%0.95579%0.786SS**  trans2.7137.6142-157.6175.3-171.6159.51.2121.3
221G31.4Very low38.2Very low76 Ų76134.3 Ų134.378%0.78479%0.79SS**  trans155.3121.8149.200000117.8
222T37.4Very low38.3Very low139 Ų139139.4 Ų139.485%0.85379%0.794SS**  trans-75.4163.9168.648.40000112.5
223P45.4Very low38.1Very low124 Ų124132.1 Ų132.181%0.80579%0.787SS**  -150169.96634.8-10.3000118.6
224T38.5Very low38.2Very low130 Ų130133.3 Ų133.380%0.79880%0.795SS**  trans-58166.717248.20000115
225P49.4Very low38.1Very low114 Ų114133.2 Ų133.274%0.7479%0.794SS**  -158.9173.35142.6-18.9000121.9
226R33.8Very low38.3Very low250 Ų250134.3 Ų134.394%0.94379%0.789SS**  trans73.7133.5141.6-104.4178.9-176.9162.41.1123.8
227G32.8Very low38.3Very low69 Ų69140.3 Ų140.371%0.71180%0.798SS**  trans128.486.315500000113.1
228V35.5Very low38.4Very low129 Ų129137.9 Ų137.978%0.78280%0.8SS**  53.613277.8-147.20000116.6
229L35.5Very low38.4Very low155 Ų155143.3 Ų143.381%0.81281%0.807SS**  trans84.5150.7164.3-59.7173000116.7
230S35.5Very low37.6Very low90 Ų90141.3 Ų141.363%0.62981%0.808SS**  cis174136.6-29-108.20000104.5
231T38.4Very low37.7Very low130 Ų130136 Ų13680%0.79880%0.798SS**  trans46.8110.5133.9-30.50000120
232R37.2Very low38Very low243 Ų243139.8 Ų139.892%0.91780%0.8SS**  trans-178.9126.3130.5-115.1178.1171-176.2-3.1111.6
233G31.3Very low38.2Very low66 Ų66139.2 Ų139.268%0.6880%0.796SS**  trans-77.7-149.2155.300000110.5
234P52.2Low38.2Very low123 Ų123139.5 Ų139.580%0.79980%0.798SS**  cis-130.1-167.6-33.225-0.7000111.5
235V35.4Very low38Very low121 Ų121145.2 Ų145.273%0.73381%0.805SS**  trans89.9106151.7-157.80000120.7
236S39Very low37.4Very low104 Ų104143.9 Ų143.973%0.72780%0.804SS**  45142.2127.3-43.80000125.7
237R38.3Very low37.6Very low253 Ų253143.8 Ų143.896%0.95580%0.803SS**  trans95.3116.5150-64.3-172.5-176.3151.81.4118
238G33.8Very low37.6Very low83 Ų83144.3 Ų144.386%0.85681%0.808SS**  trans-165.996.9161.600000111.1
239R37.3Very low38.1Very low237 Ų237144.7 Ų144.789%0.89481%0.811SS**  trans-74.7131.6175-171.1-174-155.9-154.26.2109.1
240G34.3Very low38.8Very low78 Ų78142.4 Ų142.480%0.80481%0.805SS**  trans-144.296.2170.200000110.6
241L40.1Very low39.3Very low141 Ų141144.1 Ų144.174%0.73881%0.814SS**  trans-79.9142.4160.2-80155.6000107.6
242L36.2Very low39.8Very low157 Ų157144.8 Ų144.882%0.82282%0.818SS**  -179.9127.7121.5-87.2178.2000111
243T42.9Very low40.1Very low127 Ų127136.4 Ų136.478%0.77981%0.808SS**  trans70.7104.6152.460.60000122.7
244P44.7Very low40.8Very low130 Ų130144.8 Ų144.884%0.84482%0.82SS**PPolyproline II helixtrans-89.4139.1144.230.5-23.7000111.3
245R34.5Very low40.6Very low250 Ų250150.3 Ų150.394%0.94383%0.826SS**PPolyproline II helixtrans-76.8133.2-178-174175.5171.8120.2-3.8111.5
246A37.4Very low41.8Very low86 Ų86149.6 Ų149.671%0.71182%0.823SS**PPolyproline II helixtrans-59.9134.8175.300000112.8
247R37.4Very low43Very low248 Ų248150.2 Ų150.294%0.93683%0.825SS**  79.3104.285.7-144.6-177.8-148.1169.35.7113.4
248G32.5Very low43.9Very low79 Ų79143.7 Ų143.781%0.81482%0.815SS**  trans-132.2137.7163.700000109.2
249V47.1Very low45.3Very low137 Ų137145.4 Ų145.483%0.8381%0.811SS**PPolyproline II helixtrans-83.6157-167.5170.80000111
250P49.2Very low46.3Very low108 Ų108139.5 Ų139.570%0.70180%0.803SS**PPolyproline II helixtrans-90.8157.3-159.736.2-31.3000113.2
251P47Very low46.9Very low125 Ų125141.7 Ų141.781%0.81280%0.804SS**PPolyproline II helixtrans-89.3127.6160.832.3-25.9000110.3G253P251-G253 PolarHBondContact O-N 3.04Å
252T48.5Very low47Very low144 Ų144141.1 Ų141.188%0.88381%0.806SS**PPolyproline II helixtrans-62.3120163.649.90000109.7
253G42.7Very low47.1Very low68 Ų68142.5 Ų142.570%0.70181%0.809SS**  trans-17397.4173.700000110.6P251 R255P251-G253 PolarHBondContact O-N 3.04Å; G253-R255 PolarHBondContact O-N 3.48Å
254Y46.1Very low46.8Very low241 Ų241144.1 Ų144.195%0.94581%0.807SS**  trans-57.5119.5169.3-86-99.3000109.3
255R48Very low46.6Very low240 Ų240144.7 Ų144.791%0.90681%0.808SS**  trans-105.2115.3166.3-169.8178.7-174.6-133.61.1107.7G253G253-R255 PolarHBondContact O-N 3.48Å
256P60.1Low46.8Very low106 Ų106142.9 Ų142.969%0.68880%0.803SS**PPolyproline II helixtrans-71.1152.5177.727.8-31.2000111.1
257P64.1Low46.9Very low116 Ų116141.4 Ų141.475%0.75380%0.797SS**PPolyproline II helixtrans-69.2155.8173.829.4-33.4000111.5
258P58.4Low46.7Very low117 Ų117137.8 Ų137.876%0.7679%0.79SS**PPolyproline II helixtrans-66.9150.2178.428.5-34000111.9
259P63.3Low47Very low118 Ų118144.4 Ų144.477%0.76679%0.792SS**PPolyproline II helixtrans-70.2152-179.428.8-33.7000112.3
260P57.2Low46.4Very low113 Ų113144.5 Ų144.573%0.73479%0.788SS**PPolyproline II helixtrans-68.6157.5174.929.7-33.8000111.7T262P260-T262 PolarHBondContact O-N 2.77Å
261P48.4Very low46Very low125 Ų125149.5 Ų149.581%0.81280%0.795SS**PPolyproline II helixtrans-63.5135.2-176.425.3-33000111.8Q263P261-Q263 PolarHBondContact O-N 3.21Å
262T42.2Very low46Very low129 Ų129150.7 Ų150.779%0.79179%0.794SS**PPolyproline II helixtrans-64116.7170.445.30000109.6P260 E264P260-T262 PolarHBondContact O-N 2.77Å; T262-E264 PolarHBondContact O-N 3.5Å
263Q38Very low45.5Very low186 Ų186150.8 Ų150.887%0.86979%0.789SS**PPolyproline II helixtrans-70.9118.5158.8-73.8-174.5-15.900107.3P261 T265P261-Q263 PolarHBondContact O-N 3.21Å; Q263-T265 PolarHBondContact O-N 3.34Å
264E35.7Very low46.1Very low160 Ų160150.3 Ų150.375%0.74878%0.784SS**PPolyproline II helixtrans-67.7117.7169.9-65.9-155.1160.900109.1T262 Y266T262-E264 PolarHBondContact O-N 3.5Å; E264-Y266 PolarHBondContact O-N 2.93Å
265T40.5Very low45.7Very low142 Ų142149.9 Ų149.987%0.87178%0.782SS**  trans-55.399.7164.9-580000109.2Q263Q263-T265 PolarHBondContact O-N 3.34Å
266Y39.3Very low45.2Very low212 Ų212141.9 Ų141.983%0.83178%0.775SS**  trans-99108.3170.3-121.9-95.3000108.9E264E264-Y266 PolarHBondContact O-N 2.93Å
267G39.8Very low44.2Very low56 Ų56142.8 Ų142.858%0.57778%0.779SS**  trans51.184.5149.200000118.1Y269G267-Y269 PolarHBondContact O-N 3.17Å
268E32.3Very low43.1Very low172 Ų172141.4 Ų141.480%0.80478%0.777SS**  trans-62.7107.1155.4-168.2152.7-158.700108.6
269Y38.5Very low42.3Very low217 Ų217146.1 Ų146.185%0.85178%0.781SS**  trans-97.696.5161.7-84.5-83.7000106.9G267 Y271G267-Y269 PolarHBondContact O-N 3.17Å; Y269-Y271 PolarHBondContact O-N 2.7Å
270D35.6Very low41.2Very low139 Ų139147 Ų14774%0.74378%0.779SS**  trans-53.9115.5165.1-85.2-71.5000110.1
271Y41.3Very low40.4Very low214 Ų214150 Ų15084%0.83978%0.783SS**  trans-97.7106.5153.9-103.7-90.3000107.3Y269 D273Y269-Y271 PolarHBondContact O-N 2.7Å; Y271-D273 PolarHBondContact O-N 3.16Å
272D46.3Very low39.9Very low150 Ų150152.9 Ų152.980%0.80279%0.786SS**  trans-73103.8166.9176.256.1000108.9
273D37.9Very low39.9Very low146 Ų146151.5 Ų151.578%0.78178%0.782SS**  trans-124.975.8158.967.6-23.1000110.4Y271 Y275Y271-D273 PolarHBondContact O-N 3.16Å; D273-Y275 PolarHBondContact O-N 3.19Å
274G54.1Low40Very low58 Ų58153.6 Ų153.660%0.59878%0.783SS**  trans-53108.8172.600000113.1
275Y38.3Very low40.1Very low231 Ų231152.2 Ų152.291%0.90678%0.781SS**  trans-141.394.3150.1-109-87.5000109.3D273D273-Y275 PolarHBondContact O-N 3.19Å
276G38.7Very low40Very low72 Ų72150.1 Ų150.174%0.74277%0.772SS**  trans-85.4133.9166.900000111.1
277T37.4Very low39.8Very low126 Ų126151.5 Ų151.577%0.77378%0.778SS**  trans-161.798.9145.951.90000105.7
278A41.9Very low39.7Very low86 Ų86155.2 Ų155.271%0.71179%0.785SS**  43.6101.58900000112.2
279Y41.6Very low40.2Very low216 Ų216154.2 Ų154.285%0.84779%0.785SS**  trans-171.1105135.3-91.2-65.7000109.8
280D40.3Very low39.8Very low138 Ų138148.3 Ų148.374%0.73878%0.775SS**  trans42.1130.4143.7-72.1-61.7000123.9
281E40.8Very low39.6Very low175 Ų175152 Ų15282%0.81878%0.78SS**  trans-44.5145.6150.6-71.2174.8114.400113.1
282Q38.1Very low39.1Very low186 Ų186146.6 Ų146.687%0.86977%0.773SS**  -166.1121.5125.7-107.4159.449.500113.8
283S40.9Very low38.6Very low100 Ų100145.7 Ų145.770%0.69977%0.774SS**  trans-43.3136157.7-175.20000113.2
284Y41.4Very low39.2Very low229 Ų229144.4 Ų144.490%0.89877%0.773SS**  trans-143.2125.3148.6-123.8-89.5000111.3
285D37.3Very low38.1Very low131 Ų131146.4 Ų146.470%0.70178%0.784SS**  trans-57.5145-179.9-84.8-77.4000115
286S38.7Very low37.9Very low99 Ų99144.5 Ų144.569%0.69278%0.783SS**  23.1116.1123.2-164.80000117.4
287Y35.6Very low37.6Very low240 Ų240146.9 Ų146.994%0.94179%0.788SS**  trans-142.6142.9139.7-110.3-81.5000113.4
288D36.3Very low37.3Very low135 Ų135144.4 Ų144.472%0.72279%0.788SS**  trans-65.6161.3-165.6-170.935.5000116.6
289N42.3Very low36.9Very low151 Ų151144.8 Ų144.881%0.80779%0.791SS**  trans-94.7117.8179179.533.3000109.2
290S31.4Very low36.6Very low93 Ų93142.2 Ų142.265%0.6579%0.792SS**  trans-158.9121.8166.768.60000115.6
291Y31.2Very low36.2Very low217 Ų217144.6 Ų144.685%0.85179%0.792SS**  trans91.1106.6144.3-88.1-111.9000121.6
292S31.5Very low36Very low99 Ų99147.5 Ų147.569%0.69280%0.797SS**  86.4115125-58.30000121.4
293T34Very low35.8Very low132 Ų132143.7 Ų143.781%0.8178%0.783SS**  trans-68.1179.4156.4450000112.1
294P51.2Low35.6Very low119 Ų119149.7 Ų149.777%0.77379%0.792SS**  cis-132.8154.7-35.632.3-15.2000112.9
295A30.9Very low35.3Very low99 Ų99141.1 Ų141.182%0.81877%0.773SS**  trans-164124.9156.700000114.7
296Q34.8Very low35.3Very low192 Ų192144 Ų14490%0.89778%0.782SS**  trans13.2127.5144.3-66.4177.5-23.700121.7
297S32.6Very low35Very low121 Ų121143 Ų14385%0.84679%0.787SS**  173115.912355.90000109
298G30.7Very low34.9Very low74 Ų74140.4 Ų140.476%0.76379%0.788SS**  88989700000110.7
299A33.4Very low34.6Very low94 Ų94139.6 Ų139.678%0.77779%0.793SS**  96.2106.784.300000112.2
300D35.3Very low34.1Very low162 Ų162141.3 Ų141.387%0.86680%0.796SS**  trans-161.886.2158.3-80.7-38.3000106.1
301Y33Very low34.2Very low189 Ų189145.6 Ų145.674%0.74181%0.806SS**  47.690.287-156-94.4000115.1
302Y36.2Very low34.3Very low236 Ų236140.9 Ų140.993%0.92580%0.8SS**  trans-143.6120.7140.9-91.3-74.1000111
303D32.6Very low34.2Very low105 Ų105145.1 Ų145.156%0.56180%0.802SS**  trans-86.7134.4178.8167.731000110.2G305D303-G305 PolarHBondContact OD1-N 2.85Å
304Y37.6Very low34.2Very low227 Ų227145.8 Ų145.889%0.8980%0.801SS**  trans-155.884.6150.4-114.7-78.2000108.8
305G33.9Very low33.2Very low49 Ų49144.3 Ų144.351%0.50579%0.793SS.*  trans-75.1139.5170.200000113.3D303D303-G305 PolarHBondContact OD1-N 2.85Å
306H38.3Very low33.5Very low192 Ų192150.6 Ų150.689%0.88980%0.797SS**  trans-168.6126.1146.8-72.5-60.2000104.8
307G33.1Very low33.4Very low77 Ų77145.2 Ų145.279%0.79479%0.793SS**  cis166.7115.9500000104.3
308L33.2Very low33.3Very low185 Ų185148.6 Ų148.697%0.96980%0.795SS**  trans-72.6137173.1-78.9155.9000109.3
309S30.5Very low33.6Very low119 Ų119154 Ų15483%0.83280%0.801SS**  trans-148.7104.8153.162.90000109.7
310E31.7Very low33.6Very low187 Ų187157.3 Ų157.387%0.87480%0.8SS**  trans-94159.8154.3-165.1175.4178.800107.3
311E32.7Very low33.5Very low182 Ų182161.3 Ų161.385%0.8580%0.804SS**  trans90.2139.1-177.4-53.6-173163.800115.9
312T32.3Very low33.7Very low118 Ų118157.5 Ų157.572%0.72480%0.8SS**  cis-179.5148-14.3-82.30000103.6
313Y30.3Very low33.6Very low189 Ų189153.4 Ų153.474%0.74179%0.794SS**  trans86.5103.5161.9-129.3-102.9000119.6
314D33.8Very low33.7Very low145 Ų145154.6 Ų154.678%0.77581%0.811SS**  -156.2124.2111.3-112.2-33.2000111.2
315S31.3Very low33.7Very low88 Ų88153.9 Ų153.962%0.61581%0.806SS**  trans-118.9108.1178156.80000107.8
316Y37.3Very low33.9Very low232 Ų232159.9 Ų159.991%0.9182%0.821SS**  trans-150.2120.7160.9-91.5-81.6000110.2
317G30.8Very low33.9Very low78 Ų78160.8 Ų160.880%0.80482%0.822SS**  trans130.875.3159.500000116.8
318Q31.6Very low34.6Very low192 Ų192161.4 Ų161.490%0.89782%0.82SS**  trans-65.1127.4154.4-86.1172.7-8.100109.4
319E36Very low35.2Very low187 Ų187158.6 Ų158.687%0.87481%0.813SS**  trans-134.5117.5150-73.6-162.4174.800111
320E33.3Very low35.6Very low164 Ų164159 Ų15977%0.76682%0.816SS**  trans-102.6115.1-175.8-177.6176.1-146.500106.6
321W34.3Very low36.1Very low247 Ų247154.1 Ų154.194%0.93681%0.807SS**  trans-121.9122.5165.2-91.260.9000111
322T36.1Very low36.5Very low109 Ų109157 Ų15767%0.66981%0.81SS**  trans-82.3149.8-162510000113.9
323N34.8Very low36.9Very low150 Ų150158.4 Ų158.480%0.80282%0.818SS**  trans11.5125.6140.6-82-49.6000118.7
324S34Very low37.4Very low130 Ų130153.7 Ų153.791%0.90982%0.819SS**  trans-149.6111.8137.6-88.30000111.8
325R38.9Very low37.9Very low212 Ų212156.9 Ų156.980%0.883%0.826SS**  trans-89.6154.9169.8-149.7175.3-166.4-178.54.2107.5
326H37.3Very low38.1Very low174 Ų174156.1 Ų156.181%0.80683%0.832SS**  trans91.1109.2168.6-43.3-66.7000117.3
327K38.6Very low38.3Very low212 Ų212152.1 Ų152.192%0.92283%0.831SS**  179.8140.498.1-155.8153.6-178.9177.60111.6
328A46.9Very low38.9Very low89 Ų89157.3 Ų157.374%0.73683%0.828SS**  trans-81.7177.5-173.800000113.1
329P47.2Very low39.6Very low127 Ų127160.3 Ų160.383%0.82583%0.831SS**PPolyproline II helixtrans-84.9160.7-155.736.4-35.8000114.2
330S37.7Very low39.9Very low128 Ų128156.4 Ų156.490%0.89582%0.816SS**PPolyproline II helixtrans-88.9133.2175.3-160.70000112.2
331A42.2Very low40.5Very low84 Ų84156.5 Ų156.569%0.69482%0.817SS**PPolyproline II helixtrans-93.5143.4177.600000112.5
332R42.1Very low41.4Very low243 Ų243148.7 Ų148.792%0.91780%0.798SS**  trans34.6127.6148.5-65.8-178.2174.1179-1.7120.4
333T40.6Very low41.9Very low146 Ų146154.6 Ų154.690%0.89681%0.809SS**  trans-129126.9138.833.90000110.7
334A41.1Very low42.4Very low90 Ų90151 Ų15174%0.74481%0.807SS**  trans-89.5167.2166.100000110.2
335K44.2Very low43.1Very low213 Ų213156 Ų15693%0.92681%0.807SS**  trans114105.8178.8-67.3172.4-175.1-171.80108.7
336G36.2Very low43.7Very low72 Ų72160.5 Ų160.574%0.74283%0.826SS**  cis90.711448.700000108
337V41.3Very low44Very low148 Ų148159.9 Ų159.990%0.89783%0.827SS**  trans156.9108.7143.1166.80000109.8
338Y41.8Very low44.3Very low187 Ų187157.1 Ų157.173%0.73382%0.822SS**  trans-28.2129.2155.3-157-104.3000114.3D340Y338-D340 HydrophobicContact CD1-CB 4.13Å; Y338-D340 HydrophobicContact CE1-CB 3.71Å; Y338-D340 WeakPolarHBondContact CE1-OD2 3.1Å; Y338-D340 PolarHBondContact OH-OD2 3.12Å; Y338-D340 VanDerWaalsContact OH-OD2 3.12Å
339R47.1Very low44.2Very low254 Ų254160.9 Ų160.996%0.95883%0.826SS**  trans-126.5105.2158.6-118.2-172.4177.9171.10.2109.1
340D42.7Very low44Very low106 Ų106162.9 Ų162.957%0.56783%0.827SS**  trans-78.1172.5170.5-138.4-33.9000110.7Y338Y338-D340 HydrophobicContact CD1-CB 4.13Å; Y338-D340 HydrophobicContact CE1-CB 3.71Å; Y338-D340 WeakPolarHBondContact CE1-OD2 3.1Å; Y338-D340 PolarHBondContact OH-OD2 3.12Å; Y338-D340 VanDerWaalsContact OH-OD2 3.12Å
341Q46.3Very low44.4Very low166 Ų166165.1 Ų165.178%0.77682%0.822SS**  trans105.4151.4166.1-57.3-89.7-15.100115.9
342P52.4Low44.6Very low83 Ų83170.5 Ų170.554%0.53983%0.831SS.*  -137.5155.4-58.835.2-18.7000109.8
343Y46.6Very low44.7Very low232 Ų232165.3 Ų165.391%0.9183%0.825SS**  trans-177.6119136.7-92.4-63.9000107.6
344G45.7Very low45.1Very low74 Ų74166.8 Ų166.876%0.76382%0.819SS**  trans-77.3166.2-175.500000113.2
345R48.1Very low45.4Very low237 Ų237173.2 Ų173.289%0.89483%0.825SS**  trans-48.7145.2171.8-62.5-163.8-171.7-114.89.5113
346Y52.2Low45.5Very low306 Ų306169.5 Ų169.5100%1.282%0.816SS**  -129.20120.3-100-86.2000108.8

Retrieved 346 of 346 residues in 231.5 ms (Link to these results)

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