A0A087Y2F1_POEFO Loading...

Ankyrin repeat and sterile alpha motif domain containing 6

AlphaFold DB , UniProt , Accession A0A087Y2F1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 934 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
1M39Very low54.2Low232 Ų232120.6 Ų120.6100%1.14365%0.648SS**  086.70-80.5-178.4164.900109.9
2K35.3Very low56.7Low188 Ų188111.2 Ų111.282%0.81760%0.598SS**  trans177.753.1149-105-176.6177.8-173.80109.6M4K2-M4 VanDerWaalsContact C-N 3.35Å; K2-M4 PolarHBondContact O-N 3.01Å
3D33.1Very low58.8Low147 Ų147109.2 Ų109.279%0.78659%0.587SS**  trans-72.694.6170.1-48.8-84.6000106.3N5D3-N5 PolarHBondContact O-N 3.33Å
4M36.4Very low60.8Low138 Ų138108.3 Ų108.368%0.6858%0.581SS**  trans-77.474.6-175.5-67.8-156.1-60.800110.3K2 F6K2-M4 VanDerWaalsContact C-N 3.35Å; K2-M4 PolarHBondContact O-N 3.01Å; M4-F6 HydrophobicContact CB-CD2 3.94Å; M4-F6 HydrophobicContact CB-CE2 3.88Å; M4-F6 HydrophobicContact CE-CE2 4.1Å; M4-F6 HydrophobicContact CG-CE2 4.45Å; M4-F6 PolarHBondContact O-N 2.86Å; M4-F6 HydrophobicContact SD-CE2 3.9Å; M4-F6 HydrophobicContact SD-CZ 4.44Å
5N38.2Very low62.6Low156 Ų156101.1 Ų101.183%0.83454%0.543SS*.  trans-73.872.3175.7-161.757.5000110D3 G7D3-N5 PolarHBondContact O-N 3.33Å; N5-G7 PolarHBondContact O-N 3.25Å
6F43.8Very low64.2Low169 Ų16995.3 Ų95.374%0.74151%0.511SS*.  trans-70.871.2172.3-78.6-76.4000110.5M4M4-F6 HydrophobicContact CB-CD2 3.94Å; M4-F6 HydrophobicContact CB-CE2 3.88Å; M4-F6 HydrophobicContact CE-CE2 4.1Å; M4-F6 HydrophobicContact CG-CE2 4.45Å; M4-F6 PolarHBondContact O-N 2.86Å; M4-F6 HydrophobicContact SD-CE2 3.9Å; M4-F6 HydrophobicContact SD-CZ 4.44Å
7G59.7Low65.7Low45 Ų4599.3 Ų99.346%0.46452%0.517SS..PPolyproline II helixtrans-83.6148.5160.600000110.3N5N5-G7 PolarHBondContact O-N 3.25Å
8V68.8Low67Low25 Ų2594.1 Ų94.115%0.15249%0.491CS..PPolyproline II helixtrans-54.3134.3178.2172.90000110.9A10 L13 T67 E69V8-A10 PolarHBondContact O-N 3.43Å; V8-L13 HydrophobicContact CB-CD2 3.92Å; V8-L13 HydrophobicContact CB-CG 4.12Å; V8-L13 HydrophobicContact CG1-CD2 3.71Å; V8-L13 HydrophobicContact CG1-CG 3.82Å; V8-T67 VanDerWaalsContact CG1-O 3.28Å; V8-T67 WeakPolarHBondContact CG1-O 3.46Å; V8-T67 WeakPolarHBondContact CG2-O 3.46Å; V8-E69 HydrophobicContact CG2-CG 4.23Å; V8-E69 VanDerWaalsContact CG2-OE1 3.31Å; V8-E69 WeakPolarHBondContact CG2-OE1 3.5Å; V8-E69 PolarHBondContact N-OE1 3.45Å
9P80.4Confident68.3Low84 Ų8489.1 Ų89.155%0.54547%0.465SS..PPolyproline II helixtrans-56.9139.7-175.8-26.434.2000113N11 S12 L13P9-N11 PolarHBondContact O-N 3.46Å; P9-N11 VanDerWaalsContact O-N 3.13Å; P9-S12 WeakPolarHBondContact O-CA 3.49Å; P9-S12 VanDerWaalsContact O-CB 3.29Å; P9-S12 WeakPolarHBondContact O-CB 3.26Å; P9-S12 PolarHBondContact O-N 2.9Å; P9-L13 PolarHBondContact O-N 3.36Å
10A79.4Confident69.4Low70 Ų7088.2 Ų88.258%0.57946%0.46SS*.Hα-helixtrans-55.7-36.5-17600000113.6V8 L13 L14V8-A10 PolarHBondContact O-N 3.43Å; A10-L13 PolarHBondContact O-N 2.76Å; A10-L14 VanDerWaalsContact O-CG 3.31Å; A10-L14 WeakPolarHBondContact O-CG 3.33Å; A10-L14 PolarHBondContact O-N 2.61Å
11N81.8Confident70.4Confident73 Ų7388.8 Ų88.839%0.3946%0.464SS..Hα-helixtrans-70.6-31.7176.2-64.7-3.4000112.5P9 L15 V62P9-N11 PolarHBondContact O-N 3.46Å; P9-N11 VanDerWaalsContact O-N 3.13Å; N11-L15 PolarHBondContact O-N 2.93Å; N11-V62 HydrophobicContact CB-CG2 3.6Å
12S84.4Confident72.7Confident7 Ų778.9 Ų78.95%0.04942%0.422CS..Hα-helixtrans-68.5-46171.4-53.40000110.5P9 L14 L15 L16P9-S12 WeakPolarHBondContact O-CA 3.49Å; P9-S12 VanDerWaalsContact O-CB 3.29Å; P9-S12 WeakPolarHBondContact O-CB 3.26Å; P9-S12 PolarHBondContact O-N 2.9Å; S12-L14 VanDerWaalsContact C-N 3.28Å; S12-L14 PolarHBondContact O-N 3.03Å; S12-L15 PolarHBondContact O-N 3.24Å; S12-L15 VanDerWaalsContact O-N 3.09Å; S12-L16 WeakPolarHBondContact O-CB 3.31Å; S12-L16 VanDerWaalsContact O-CG 3.27Å; S12-L16 WeakPolarHBondContact O-CG 3.39Å; S12-L16 PolarHBondContact O-N 2.98Å
13L84.6Confident75.3Confident85 Ų8573.2 Ų73.245%0.44540%0.4SS..Hα-helixtrans-59.2-37.9174.3-68.2176.8000112.3V8 P9 A10 R17V8-L13 HydrophobicContact CB-CD2 3.92Å; V8-L13 HydrophobicContact CB-CG 4.12Å; V8-L13 HydrophobicContact CG1-CD2 3.71Å; V8-L13 HydrophobicContact CG1-CG 3.82Å; P9-L13 PolarHBondContact O-N 3.36Å; A10-L13 PolarHBondContact O-N 2.76Å; L13-R17 WeakPolarHBondContact O-CB 3.27Å; L13-R17 PolarHBondContact O-N 3.32Å
14L85.8Confident78Confident97 Ų9769.9 Ų69.951%0.50838%0.377SS..Hα-helixtrans-66.6-39.6173.3-73.4170.4000112.5A10 S12 A18 L30A10-L14 VanDerWaalsContact O-CG 3.31Å; A10-L14 WeakPolarHBondContact O-CG 3.33Å; A10-L14 PolarHBondContact O-N 2.61Å; S12-L14 VanDerWaalsContact C-N 3.28Å; S12-L14 PolarHBondContact O-N 3.03Å; L14-A18 WeakPolarHBondContact O-CB 3.35Å; L14-A18 PolarHBondContact O-N 3.06Å; L14-L30 HydrophobicContact CB-CD1 4.11Å
15L87.8Confident80.4Confident1 Ų168.4 Ų68.41%0.00537%0.369CS..Hα-helixtrans-67-46.6175.2178.561.1000111.8N11 S12 R17 A18 C19 A27 L30 L31 V62N11-L15 PolarHBondContact O-N 2.93Å; S12-L15 PolarHBondContact O-N 3.24Å; S12-L15 VanDerWaalsContact O-N 3.09Å; L15-R17 VanDerWaalsContact C-N 3.3Å; L15-R17 PolarHBondContact O-N 3.11Å; L15-A18 PolarHBondContact O-N 3.48Å; L15-C19 PolarHBondContact O-N 3.34Å; L15-C19 PolarHBondContact O-SG 3.17Å; L15-A27 HydrophobicContact CD1-CB 3.82Å; L15-L30 HydrophobicContact CB-CD1 3.99Å; L15-L30 HydrophobicContact CD1-CB 4.48Å; L15-L31 HydrophobicContact CD1-CD1 4.07Å; L15-L31 HydrophobicContact CD1-CG 4.13Å; L15-L31 HydrophobicContact CD2-CD1 4.05Å; L15-L31 HydrophobicContact CD2-CD2 3.76Å; L15-L31 HydrophobicContact CD2-CG 3.96Å; L15-V62 HydrophobicContact CB-CG1 4.29Å; L15-V62 HydrophobicContact CD2-CB 4.43Å; L15-V62 HydrophobicContact CD2-CG1 3.58Å
16L88.9Confident82.7Confident7 Ų764.2 Ų64.24%0.03735%0.349CS..Hα-helixtrans-59.3-43.5176.9-67172.5000110.9S12 C19 D20 D68 F77S12-L16 WeakPolarHBondContact O-CB 3.31Å; S12-L16 VanDerWaalsContact O-CG 3.27Å; S12-L16 WeakPolarHBondContact O-CG 3.39Å; S12-L16 PolarHBondContact O-N 2.98Å; L16-C19 WeakPolarHBondContact O-CA 3.39Å; L16-C19 WeakPolarHBondContact O-CB 3.35Å; L16-C19 PolarHBondContact O-N 3.05Å; L16-D20 PolarHBondContact O-N 2.82Å; L16-D68 HydrophobicContact CD1-CB 4Å; L16-F77 HydrophobicContact CB-CD2 4.39Å; L16-F77 HydrophobicContact CB-CE2 4.35Å; L16-F77 HydrophobicContact CD2-CD2 3.98Å; L16-F77 HydrophobicContact CD2-CE2 4.11Å
17R89.1Confident84.8Confident164 Ų16456.1 Ų56.162%0.61931%0.313SS*.Hα-helixtrans-63.1-45.7173.9-179.5173.6-179.6155.29.9112.5L13 L15 C19 D20 D21L13-R17 WeakPolarHBondContact O-CB 3.27Å; L13-R17 PolarHBondContact O-N 3.32Å; L15-R17 VanDerWaalsContact C-N 3.3Å; L15-R17 PolarHBondContact O-N 3.11Å; R17-C19 PolarHBondContact O-N 3.06Å; R17-D20 PolarHBondContact O-N 3.04Å; R17-D21 VanDerWaalsContact CG-OD2 3.24Å; R17-D21 WeakPolarHBondContact CG-OD2 3.47Å; R17-D21 IonicContact CZ-OD2 3.68Å; R17-D21 IonicContact NE-OD2 2.85Å; R17-D21 PolarHBondContact NE-OD2 3.15Å; R17-D21 IonicContact NH2-OD2 3.58Å; R17-D21 WeakPolarHBondContact O-CB 3.46Å; R17-D21 PolarHBondContact O-N 3.29Å
18A89.9Confident86Confident5 Ų556.6 Ų56.64%0.04130%0.301CS..Hα-helixtrans-60.6-30.7174.700000111.9L14 L15 G22 D23 T26 A27L14-A18 WeakPolarHBondContact O-CB 3.35Å; L14-A18 PolarHBondContact O-N 3.06Å; L15-A18 PolarHBondContact O-N 3.48Å; A18-G22 CarbonylContact O-C 3.57Å; A18-G22 WeakPolarHBondContact O-CA 3.28Å; A18-G22 PolarHBondContact O-N 3.17Å; A18-D23 PolarHBondContact O-N 3.36Å; A18-T26 WeakPolarHBondContact CB-OG1 3.43Å; A18-A27 HydrophobicContact CB-CB 4.02Å
19C90.8Very high86.7Confident0 Ų057.5 Ų57.50%032%0.315CS..Hα-helixtrans-72.9-24.5173.5-64.60000114.4L15 L16 R17 G74 F77 A78 H83 L86L15-C19 PolarHBondContact O-N 3.34Å; L15-C19 PolarHBondContact O-SG 3.17Å; L16-C19 WeakPolarHBondContact O-CA 3.39Å; L16-C19 WeakPolarHBondContact O-CB 3.35Å; L16-C19 PolarHBondContact O-N 3.05Å; R17-C19 PolarHBondContact O-N 3.06Å; C19-G74 WeakPolarHBondContact CB-O 3Å; C19-F77 HydrophobicContact CB-CB 4.08Å; C19-F77 CarbonylContact O-C 3.56Å; C19-A78 HydrophobicContact CB-CB 4.38Å; C19-A78 VanDerWaalsContact O-CA 3.28Å; C19-A78 WeakPolarHBondContact O-CA 3.27Å; C19-A78 PolarHBondContact O-N 2.97Å; C19-H83 PolarHBondContact O-CD2 3.36Å; C19-L86 HydrophobicContact CB-CD2 4.34Å
20D90.4Very high86.9Confident70 Ų7055.5 Ų55.537%0.37430%0.3SS..Hα-helixtrans-88.5-47.9173.8-168.435.3000112.1L16 R17 G22 F77 S81 H83L16-D20 PolarHBondContact O-N 2.82Å; R17-D20 PolarHBondContact O-N 3.04Å; D20-G22 PolarHBondContact O-N 3.18Å; D20-F77 HydrophobicContact CB-CB 4.26Å; D20-F77 HydrophobicContact CB-CD1 3.92Å; D20-F77 HydrophobicContact CB-CG 4.38Å; D20-S81 PolarHBondContact OD1-OG 2.82Å; D20-H83 PolarHBondContact O-NE2 3.09Å
21D90.1Very high87Confident101 Ų10152.5 Ų52.554%0.5427%0.274SS..Hα-helixtrans-64.6-20174.9-78.9-40.5000112R17R17-D21 VanDerWaalsContact CG-OD2 3.24Å; R17-D21 WeakPolarHBondContact CG-OD2 3.47Å; R17-D21 IonicContact CZ-OD2 3.68Å; R17-D21 IonicContact NE-OD2 2.85Å; R17-D21 PolarHBondContact NE-OD2 3.15Å; R17-D21 IonicContact NH2-OD2 3.58Å; R17-D21 WeakPolarHBondContact O-CB 3.46Å; R17-D21 PolarHBondContact O-N 3.29Å
22G88.4Confident86.9Confident24 Ų2451.6 Ų51.625%0.24727%0.267CS..THydrogen-bonded Turntrans84.313.8176.800000115.4A18 D20 Y24 H83A18-G22 CarbonylContact O-C 3.57Å; A18-G22 WeakPolarHBondContact O-CA 3.28Å; A18-G22 PolarHBondContact O-N 3.17Å; D20-G22 PolarHBondContact O-N 3.18Å; G22-Y24 PolarHBondContact O-N 2.95Å; G22-H83 VanDerWaalsContact CA-CD2 3.44Å; G22-H83 WeakPolarHBondContact CA-CD2 3.25Å; G22-H83 VanDerWaalsContact CA-CE1 3.49Å; G22-H83 WeakPolarHBondContact CA-CE1 3.18Å; G22-H83 VanDerWaalsContact CA-NE2 3.32Å; G22-H83 WeakPolarHBondContact CA-NE2 3.49Å; G22-H83 PolarHBondContact N-NE2 3.44Å
23D90.1Very high85.9Confident69 Ų6955.6 Ų55.637%0.36929%0.293SS..  trans-77.589.8-177.6-176.73.3000111.7A18 E25 T26 A27A18-D23 PolarHBondContact O-N 3.36Å; D23-E25 VanDerWaalsContact C-N 3.26Å; D23-E25 PolarHBondContact O-N 3.08Å; D23-E25 PolarHBondContact OD1-N 3.26Å; D23-T26 WeakPolarHBondContact CB-OG1 3.41Å; D23-T26 PolarHBondContact O-OG1 3.26Å; D23-T26 PolarHBondContact OD1-N 3.27Å; D23-T26 WeakPolarHBondContact OD2-CB 3.39Å; D23-T26 WeakPolarHBondContact OD2-CG2 3.45Å; D23-T26 PolarHBondContact OD2-OG1 2.88Å; D23-A27 WeakPolarHBondContact O-CB 3.45Å; D23-A27 PolarHBondContact O-N 3.3Å
24Y89.3Confident84.5Confident78 Ų7855.1 Ų55.131%0.30631%0.309SS..Hα-helixtrans-54.9-35.9175.1175.4-95.5000113.5G22 R28 F89G22-Y24 PolarHBondContact O-N 2.95Å; Y24-R28 WeakPolarHBondContact O-CB 3.47Å; Y24-R28 PolarHBondContact O-N 2.91Å; Y24-F89 HydrophobicContact CD2-CB 4.49Å; Y24-F89 HydrophobicContact CE2-CB 3.9Å; Y24-F89 HydrophobicContact CE2-CD2 4.11Å; Y24-F89 AromaticContact CE2-CG 3.96Å; Y24-F89 HydrophobicContact CE2-CG 3.96Å
25E87Confident82.8Confident107 Ų10752.2 Ų52.250%0.530%0.299SS..Hα-helixtrans-80-33.4-173.3-72.8-63.6142.600112.5D23 G29D23-E25 VanDerWaalsContact C-N 3.26Å; D23-E25 PolarHBondContact O-N 3.08Å; D23-E25 PolarHBondContact OD1-N 3.26Å; E25-G29 PolarHBondContact O-N 3.47Å
26T87.1Confident80.7Confident67 Ų6757.2 Ų57.241%0.41133%0.331SS..Hα-helixtrans-76-40.617053.90000112.1A18 D23 R28 G29 L30A18-T26 WeakPolarHBondContact CB-OG1 3.43Å; D23-T26 WeakPolarHBondContact CB-OG1 3.41Å; D23-T26 PolarHBondContact O-OG1 3.26Å; D23-T26 PolarHBondContact OD1-N 3.27Å; D23-T26 WeakPolarHBondContact OD2-CB 3.39Å; D23-T26 WeakPolarHBondContact OD2-CG2 3.45Å; D23-T26 PolarHBondContact OD2-OG1 2.88Å; T26-R28 VanDerWaalsContact C-N 3.31Å; T26-R28 PolarHBondContact O-N 3.35Å; T26-G29 PolarHBondContact O-N 3.48Å; T26-L30 WeakPolarHBondContact O-CG 3.45Å; T26-L30 PolarHBondContact O-N 3.35Å
27A86.1Confident78.6Confident0 Ų067.4 Ų67.40%037%0.369CS..Hα-helixtrans-60-41.8173.700000112L15 A18 D23 L30 L31 L86L15-A27 HydrophobicContact CD1-CB 3.82Å; A18-A27 HydrophobicContact CB-CB 4.02Å; D23-A27 WeakPolarHBondContact O-CB 3.45Å; D23-A27 PolarHBondContact O-N 3.3Å; A27-L30 PolarHBondContact O-N 3.05Å; A27-L31 PolarHBondContact O-N 3.49Å; A27-L86 HydrophobicContact CB-CD1 3.67Å; A27-L86 HydrophobicContact CB-CD2 4.15Å
28R85.9Confident76.5Confident55 Ų5568.2 Ų68.221%0.20838%0.38CS..Hα-helixtrans-64.6-46171.6-176.6-179.5-174.4-163.82111.8Y24 T26 L30 L31 E32 F89Y24-R28 WeakPolarHBondContact O-CB 3.47Å; Y24-R28 PolarHBondContact O-N 2.91Å; T26-R28 VanDerWaalsContact C-N 3.31Å; T26-R28 PolarHBondContact O-N 3.35Å; R28-L30 PolarHBondContact O-N 2.99Å; R28-L31 CarbonylContact O-C 3.49Å; R28-L31 PolarHBondContact O-N 2.94Å; R28-E32 HydrophobicContact CG-CB 4.35Å; R28-E32 HydrophobicContact CG-CG 4.42Å; R28-E32 IonicContact CZ-OE2 3.48Å; R28-E32 IonicContact NE-OE2 2.78Å; R28-E32 PolarHBondContact NE-OE2 3.22Å; R28-E32 IonicContact NH2-OE2 3.26Å; R28-E32 PolarHBondContact NH2-OE2 3.25Å; R28-E32 WeakPolarHBondContact O-CA 3.09Å; R28-E32 WeakPolarHBondContact O-CB 3.38Å; R28-E32 PolarHBondContact O-N 3.49Å; R28-F89 HydrophobicContact CB-CE1 4.27Å; R28-F89 HydrophobicContact CB-CZ 3.99Å; R28-F89 HydrophobicContact CG-CE2 4.12Å; R28-F89 HydrophobicContact CG-CZ 3.84Å
29G83.7Confident74.1Confident43 Ų4373 Ų7344%0.44341%0.413SS..Hα-helixtrans-60.4-29.517900000114.2E25 T26E25-G29 PolarHBondContact O-N 3.47Å; T26-G29 PolarHBondContact O-N 3.48Å
30L84.1Confident71.9Confident42 Ų4276.7 Ų76.722%0.2245%0.451CS..Hα-helixtrans-80.3-30.5176.2-68.9168.7000113.4L14 L15 T26 A27 R28L14-L30 HydrophobicContact CB-CD1 4.11Å; L15-L30 HydrophobicContact CB-CD1 3.99Å; L15-L30 HydrophobicContact CD1-CB 4.48Å; T26-L30 WeakPolarHBondContact O-CG 3.45Å; T26-L30 PolarHBondContact O-N 3.35Å; A27-L30 PolarHBondContact O-N 3.05Å; R28-L30 PolarHBondContact O-N 2.99Å
31L82.6Confident69.4Low8 Ų885 Ų854%0.04248%0.477CS..Hα-helixtrans-101.5-8.4-179.6-65.6178.9000114.5L15 A27 R28 V62 V64 F89 L90L15-L31 HydrophobicContact CD1-CD1 4.07Å; L15-L31 HydrophobicContact CD1-CG 4.13Å; L15-L31 HydrophobicContact CD2-CD1 4.05Å; L15-L31 HydrophobicContact CD2-CD2 3.76Å; L15-L31 HydrophobicContact CD2-CG 3.96Å; A27-L31 PolarHBondContact O-N 3.49Å; R28-L31 CarbonylContact O-C 3.49Å; R28-L31 PolarHBondContact O-N 2.94Å; L31-V62 HydrophobicContact CD2-CB 4.42Å; L31-V64 HydrophobicContact CD1-CG1 4.41Å; L31-V64 HydrophobicContact CD1-CG2 4.4Å; L31-V64 HydrophobicContact CD2-CG2 4.03Å; L31-F89 HydrophobicContact CB-CE1 4.19Å; L31-F89 HydrophobicContact CB-CZ 4.37Å; L31-F89 HydrophobicContact CD1-CE1 4.04Å; L31-L90 HydrophobicContact CD1-CD2 3.8Å
32E79.4Confident67.1Low54 Ų5489.5 Ų89.525%0.25250%0.495SS..  trans-135.862.3172.9-62.5-167.1145.700111.5R28 G34 A35 F89 K93R28-E32 HydrophobicContact CG-CB 4.35Å; R28-E32 HydrophobicContact CG-CG 4.42Å; R28-E32 IonicContact CZ-OE2 3.48Å; R28-E32 IonicContact NE-OE2 2.78Å; R28-E32 PolarHBondContact NE-OE2 3.22Å; R28-E32 IonicContact NH2-OE2 3.26Å; R28-E32 PolarHBondContact NH2-OE2 3.25Å; R28-E32 WeakPolarHBondContact O-CA 3.09Å; R28-E32 WeakPolarHBondContact O-CB 3.38Å; R28-E32 PolarHBondContact O-N 3.49Å; E32-G34 PolarHBondContact O-N 3.29Å; E32-A35 HydrophobicContact CB-CB 3.9Å; E32-A35 PolarHBondContact O-N 3.37Å; E32-F89 HydrophobicContact CG-CE2 4.47Å; E32-F89 HydrophobicContact CG-CZ 4.13Å; E32-K93 VanDerWaalsContact OE1-CE 3.22Å; E32-K93 WeakPolarHBondContact OE1-CE 3.41Å; E32-K93 IonicContact OE1-NZ 2.69Å; E32-K93 PolarHBondContact OE1-NZ 3.2Å
33P63.1Low64.4Low91 Ų9194 Ų9459%0.59152%0.523SS*.THydrogen-bonded Turntrans-69.773.7176.331.2-36.6000111.3
34G55.6Low62.1Low75 Ų75102.1 Ų102.177%0.77355%0.548SS*.THydrogen-bonded Turntrans158.5-11-175.200000115.3E32E32-G34 PolarHBondContact O-N 3.29Å
35A48.4Very low59.3Low36 Ų36106 Ų10630%0.29857%0.573SS.*  trans-65.7133.2174.800000111E32 R37E32-A35 HydrophobicContact CB-CB 3.9Å; E32-A35 PolarHBondContact O-N 3.37Å; A35-R37 PolarHBondContact O-N 3Å
36P44.7Very low56.7Low106 Ų106112 Ų11269%0.68859%0.591SS**  trans-66127.3177.127.1-33.5000110E38P36-E38 PolarHBondContact O-N 3.15Å; P36-E38 VanDerWaalsContact O-N 3.16Å
37R45.1Very low54Low221 Ų221113.9 Ų113.983%0.83461%0.608SS**  trans-64.3113.4171.5-76.5-179.7165-179.5-5.2109.4A35 S39A35-R37 PolarHBondContact O-N 3Å; R37-S39 PolarHBondContact O-N 2.87Å
38E43.9Very low51.5Low181 Ų181123.4 Ų123.485%0.84665%0.652SS**  trans-73.945.5173.2-66.2-170.1120.100112.7P36 G40P36-E38 PolarHBondContact O-N 3.15Å; P36-E38 VanDerWaalsContact O-N 3.16Å; E38-G40 PolarHBondContact O-N 2.93Å
39S40.4Very low48.8Very low105 Ų105125.8 Ų125.873%0.73468%0.683SS**  trans-93.782.3169.4-168.40000109.1R37 R41R37-S39 PolarHBondContact O-N 2.87Å; S39-R41 PolarHBondContact O-N 3.2Å
40G43.3Very low46.4Very low77 Ų77127.7 Ų127.779%0.79470%0.703SS**  trans-70.394.3-176.600000113.2E38E38-G40 PolarHBondContact O-N 2.93Å
41R38.1Very low43.8Very low244 Ų244130.5 Ų130.592%0.92173%0.727SS**  trans-151.4141.3153.5-109.2159.8-160.6-144.50.8111.9S39S39-R41 PolarHBondContact O-N 3.2Å
42Q42.4Very low41.5Very low197 Ų197139.9 Ų139.992%0.92177%0.77SS**  trans-81.4136.2-168.3-63.1153.1-34.600111.8
43S32.3Very low39Very low119 Ų119142.4 Ų142.483%0.83279%0.793SS**  trans-148.4111143.9-169.60000109.4
44R40.6Very low37.4Very low239 Ų239142.8 Ų142.890%0.90280%0.803SS**  trans-83.6132.6163.3-79.2177.3167.9172.6-5107.5
45L30.9Very low36.5Very low159 Ų159143.6 Ų143.683%0.83280%0.803SS**  trans-170127.3133-104166.2000110.8
46R33.4Very low35.9Very low232 Ų232147.6 Ų147.688%0.87583%0.826SS**  trans19.8133.6145.7-105174.8175.1167.3-3118.6
47S30.6Very low35.4Very low108 Ų108150.5 Ų150.576%0.75584%0.835SS**  cis-154162.239.1-69.20000113.7
48E33.2Very low35.4Very low199 Ų199143.3 Ų143.393%0.9383%0.83SS**  trans-80.6143.7170.4-61.7170.911700112
49A29.8Very low35.3Very low105 Ų105140.3 Ų140.387%0.86882%0.824SS**  trans-146.7114149.500000106.3
50G32Very low35.7Very low83 Ų83138.7 Ų138.786%0.85681%0.813SS**  trans-81.2148.6-167.900000114.1
51S29.5Very low36.6Very low102 Ų102141 Ų14171%0.71381%0.806SS**  trans-150.4107.6153.9-173.50000108.5C53S51-C53 PolarHBondContact O-N 2.98Å; S51-C53 VanDerWaalsContact O-N 3.07Å
52E34.1Very low38.2Very low205 Ų205129.6 Ų129.696%0.95876%0.764SS**  trans-71.797.9170.1-70.8-179.5106.800109.1
53C27Very low40.1Very low107 Ų107124.3 Ų124.372%0.72375%0.746SS**  trans-110.8119.7164.6-68.70000108S51S51-C53 PolarHBondContact O-N 2.98Å; S51-C53 VanDerWaalsContact O-N 3.07Å
54A29.6Very low42.5Very low99 Ų99120 Ų12082%0.81871%0.714SS**PPolyproline II helixtrans-58.3139.8178.300000110.9P56A54-P56 WeakPolarHBondContact O-CD 3.38Å
55A37.5Very low44.6Very low92 Ų92111.2 Ų111.276%0.7669%0.686SS**PPolyproline II helixtrans-67.7130.1-178.400000111.4
56P35.3Very low47.2Very low120 Ų120104.2 Ų104.278%0.77965%0.65SS**PPolyproline II helixtrans-80.3129.9152.632.4-28.6000108.9A54 G58A54-P56 WeakPolarHBondContact O-CD 3.38Å; P56-G58 PolarHBondContact O-N 3.5Å
57D34.3Very low49.9Very low166 Ų16696 Ų9689%0.88863%0.626SS**PPolyproline II helixtrans-65.1131.3172.1-76.8-62.6000111.6
58G45.4Very low52.5Low70 Ų7091.8 Ų91.872%0.72260%0.595SS**  trans72.5120.6150.900000119.4P56P56-G58 PolarHBondContact O-N 3.5Å
59V41.5Very low55.1Low118 Ų11887.7 Ų87.772%0.71558%0.575SS**  -154.5108.8129.3-99.60000110.2L61V59-L61 HydrophobicContact CB-CD1 3.95Å; V59-L61 HydrophobicContact CG1-CD1 4.16Å; V59-L61 HydrophobicContact CG2-CD1 4.21Å; V59-L61 PolarHBondContact O-N 2.87Å
60S49Very low57.7Low72 Ų7287 Ų8750%0.50355%0.554SS.*  trans-7699.8156-178.90000107V62S60-V62 PolarHBondContact O-N 3.3Å
61L62.2Low60.3Low126 Ų12683.7 Ų83.766%0.6652%0.52SS*.  trans-77.50.2-165.5-147.477.4000114.7V59V59-L61 HydrophobicContact CB-CD1 3.95Å; V59-L61 HydrophobicContact CG1-CD1 4.16Å; V59-L61 HydrophobicContact CG2-CD1 4.21Å; V59-L61 PolarHBondContact O-N 2.87Å
62V72.4Confident63.1Low4 Ų479.9 Ų79.92%0.02449%0.491CS..SBendtrans-121.7121.2174.4-169.40000108.9N11 L15 L31 S60 C66N11-V62 HydrophobicContact CB-CG2 3.6Å; L15-V62 HydrophobicContact CB-CG1 4.29Å; L15-V62 HydrophobicContact CD2-CB 4.43Å; L15-V62 HydrophobicContact CD2-CG1 3.58Å; L31-V62 HydrophobicContact CD2-CB 4.42Å; S60-V62 PolarHBondContact O-N 3.3Å; V62-C66 HydrophobicContact CG1-CB 4.46Å
63P81.2Confident65.9Low86 Ų8670.3 Ų70.356%0.55845%0.447SS*.  trans-64.1139.9168.6-20.833.4000111D65 C66P63-D65 VanDerWaalsContact C-N 3.32Å; P63-D65 PolarHBondContact O-N 2.8Å; P63-C66 WeakPolarHBondContact O-CB 3.26Å; P63-C66 PolarHBondContact O-N 2.86Å; P63-C66 VanDerWaalsContact O-N 3.13Å
64V83.3Confident68.8Low27 Ų2765.2 Ų65.216%0.16441%0.413CS..THydrogen-bonded Turntrans-64.2-39.1-179.8-173.90000111.3L31 C66 L90 K93 A95L31-V64 HydrophobicContact CD1-CG1 4.41Å; L31-V64 HydrophobicContact CD1-CG2 4.4Å; L31-V64 HydrophobicContact CD2-CG2 4.03Å; V64-C66 VanDerWaalsContact C-N 3.25Å; V64-C66 PolarHBondContact O-N 2.8Å; V64-L90 HydrophobicContact CG1-CD2 4.02Å; V64-K93 HydrophobicContact CG1-CB 4.12Å; V64-K93 HydrophobicContact CG2-CB 3.95Å; V64-A95 HydrophobicContact CG1-CB 3.7Å
65D84.6Confident71.8Confident56 Ų5660.6 Ų60.630%0.29937%0.374SS..THydrogen-bonded Turntrans-87.734.8172.9-69.6-65.7000112.9P63 T73 S96 S99P63-D65 VanDerWaalsContact C-N 3.32Å; P63-D65 PolarHBondContact O-N 2.8Å; D65-T73 HydrophobicContact CB-CG2 4.47Å; D65-S96 PolarHBondContact OD1-N 3.19Å; D65-S96 PolarHBondContact OD2-N 3.42Å; D65-S99 PolarHBondContact OD1-OG 3.32Å
66C85.3Confident74.4Confident11 Ų1156.3 Ų56.37%0.07434%0.338CS..  trans-63.7144.1168.168.20000110.7V62 P63 V64 T73V62-C66 HydrophobicContact CG1-CB 4.46Å; P63-C66 WeakPolarHBondContact O-CB 3.26Å; P63-C66 PolarHBondContact O-N 2.86Å; P63-C66 VanDerWaalsContact O-N 3.13Å; V64-C66 VanDerWaalsContact C-N 3.25Å; V64-C66 PolarHBondContact O-N 2.8Å; C66-T73 WeakPolarHBondContact O-CA 3.47Å
67T89.2Confident77.2Confident60 Ų6052.9 Ų52.937%0.36831%0.311SS..BIsolated β-bridgetrans-115.2159.8178.660.50000112.8V8 N72 T73V8-T67 VanDerWaalsContact CG1-O 3.28Å; V8-T67 WeakPolarHBondContact CG1-O 3.46Å; V8-T67 WeakPolarHBondContact CG2-O 3.46Å; T67-N72 VanDerWaalsContact CA-O 3.27Å; T67-N72 WeakPolarHBondContact CA-O 3.4Å; T67-T73 HydrophobicContact CG2-CG2 3.86Å
68D87.1Confident80Confident20 Ų2045 Ų4511%0.10727%0.269CS..  trans-77.9-174.8158.661.514.3000111.8L16 E70 G71 N72 F77L16-D68 HydrophobicContact CD1-CB 4Å; D68-E70 PolarHBondContact O-N 3.28Å; D68-E70 VanDerWaalsContact OD1-C 3.29Å; D68-E70 WeakPolarHBondContact OD1-CA 3.47Å; D68-E70 PolarHBondContact OD1-N 3.01Å; D68-E70 VanDerWaalsContact OD1-N 3.13Å; D68-G71 PolarHBondContact O-N 3.42Å; D68-G71 VanDerWaalsContact O-N 3.12Å; D68-G71 PolarHBondContact OD1-N 2.92Å; D68-N72 PolarHBondContact N-O 2.8Å; D68-N72 WeakPolarHBondContact OD1-CB 3.37Å; D68-N72 PolarHBondContact OD1-N 3.45Å; D68-N72 PolarHBondContact OD1-ND2 3.22Å; D68-N72 WeakPolarHBondContact OD2-CB 3.4Å; D68-N72 PolarHBondContact OD2-ND2 3.47Å; D68-F77 WeakPolarHBondContact OD2-CE2 3.45Å; D68-F77 VanDerWaalsContact OD2-CZ 3.25Å; D68-F77 WeakPolarHBondContact OD2-CZ 3.41Å
69E86.6Confident82.3Confident112 Ų11241.7 Ų41.752%0.52324%0.235SC..THydrogen-bonded Turntrans-65.3-27.5178.3-47.8-66.716700111.5V8 G71 N102V8-E69 HydrophobicContact CG2-CG 4.23Å; V8-E69 VanDerWaalsContact CG2-OE1 3.31Å; V8-E69 WeakPolarHBondContact CG2-OE1 3.5Å; V8-E69 PolarHBondContact N-OE1 3.45Å; E69-G71 VanDerWaalsContact C-N 3.34Å; E69-N102 PolarHBondContact O-ND2 2.81Å; E69-N102 VanDerWaalsContact O-ND2 3.11Å
70E83.9Confident84.7Confident92 Ų9236.9 Ų36.943%0.4321%0.207SC..THydrogen-bonded Turntrans-83-2.9174.2-68.878.3-172.800114.1D68 N72 N102D68-E70 PolarHBondContact O-N 3.28Å; D68-E70 VanDerWaalsContact OD1-C 3.29Å; D68-E70 WeakPolarHBondContact OD1-CA 3.47Å; D68-E70 PolarHBondContact OD1-N 3.01Å; D68-E70 VanDerWaalsContact OD1-N 3.13Å; E70-N72 WeakPolarHBondContact CB-ND2 3.31Å; E70-N102 VanDerWaalsContact C-ND2 3.3Å; E70-N102 WeakPolarHBondContact O-CB 3.34Å; E70-N102 VanDerWaalsContact O-CG 3.32Å; E70-N102 PolarHBondContact O-N 2.93Å; E70-N102 PolarHBondContact O-ND2 2.91Å
71G86.8Confident86.7Confident12 Ų1235.7 Ų35.712%0.12420%0.199CC..  trans80.513.817900000115.2D68 E69 N101D68-G71 PolarHBondContact O-N 3.42Å; D68-G71 VanDerWaalsContact O-N 3.12Å; D68-G71 PolarHBondContact OD1-N 2.92Å; E69-G71 VanDerWaalsContact C-N 3.34Å; G71-N101 VanDerWaalsContact O-CA 3.31Å; G71-N101 WeakPolarHBondContact O-CA 3.24Å; G71-N101 VanDerWaalsContact O-CB 3.32Å; G71-N101 WeakPolarHBondContact O-CB 3.4Å
72N89.3Confident88.2Confident23 Ų2330.5 Ų30.512%0.12318%0.176CC..  trans-79.5127.5177.5-50.8-64.9000110.7T67 D68 E70 Q76 F77 N101T67-N72 VanDerWaalsContact CA-O 3.27Å; T67-N72 WeakPolarHBondContact CA-O 3.4Å; D68-N72 PolarHBondContact N-O 2.8Å; D68-N72 WeakPolarHBondContact OD1-CB 3.37Å; D68-N72 PolarHBondContact OD1-N 3.45Å; D68-N72 PolarHBondContact OD1-ND2 3.22Å; D68-N72 WeakPolarHBondContact OD2-CB 3.4Å; D68-N72 PolarHBondContact OD2-ND2 3.47Å; E70-N72 WeakPolarHBondContact CB-ND2 3.31Å; N72-Q76 PolarHBondContact OD1-OE1 3.05Å; N72-F77 HydrophobicContact CB-CD2 4.3Å; N72-F77 HydrophobicContact CB-CE2 3.64Å; N72-F77 HydrophobicContact CB-CZ 4.07Å; N72-N101 PolarHBondContact OD1-ND2 2.68Å
73T91.5Very high89.2Confident4 Ų432.9 Ų32.93%0.02519%0.187CC..BIsolated β-bridgetrans-83.9161.8174.964.70000112.5D65 C66 T67 L75 Q76 F77D65-T73 HydrophobicContact CB-CG2 4.47Å; C66-T73 WeakPolarHBondContact O-CA 3.47Å; T67-T73 HydrophobicContact CG2-CG2 3.86Å; T73-L75 PolarHBondContact O-N 2.93Å; T73-L75 VanDerWaalsContact O-N 3.16Å; T73-Q76 WeakPolarHBondContact O-CA 3.25Å; T73-Q76 WeakPolarHBondContact O-CB 3.45Å; T73-Q76 PolarHBondContact O-N 2.63Å; T73-F77 WeakPolarHBondContact O-CD2 3.43Å; T73-F77 PolarHBondContact O-N 2.97Å
74G89.4Confident89.8Confident0 Ų031.7 Ų31.70%017%0.174CC..Hα-helixtrans-56.3-31.8174.300000113.3C19 Q76 F77 A78C19-G74 WeakPolarHBondContact CB-O 3Å; G74-Q76 PolarHBondContact O-N 3.22Å; G74-F77 PolarHBondContact O-N 3.26Å; G74-A78 WeakPolarHBondContact O-CB 3.44Å; G74-A78 PolarHBondContact O-N 2.85Å
75L92.9Very high90.2Very high1 Ų135.7 Ų35.71%0.00519%0.194CC..Hα-helixtrans-65.5-35.7173.5-175.463.1000112.3T73 S79 V87 L90 L91 A95 P107 L123T73-L75 PolarHBondContact O-N 2.93Å; T73-L75 VanDerWaalsContact O-N 3.16Å; L75-S79 WeakPolarHBondContact O-CB 3.39Å; L75-S79 PolarHBondContact O-N 2.95Å; L75-S79 PolarHBondContact O-OG 3.06Å; L75-V87 HydrophobicContact CD1-CB 4.47Å; L75-V87 HydrophobicContact CD1-CG1 4.05Å; L75-V87 HydrophobicContact CD1-CG2 4.45Å; L75-L90 HydrophobicContact CB-CD1 4.44Å; L75-L90 HydrophobicContact CD1-CB 4.16Å; L75-L90 HydrophobicContact CD1-CD1 4.41Å; L75-L91 HydrophobicContact CD1-CD2 4.31Å; L75-L91 HydrophobicContact CD1-CG 4.18Å; L75-L91 HydrophobicContact CD2-CD2 3.89Å; L75-A95 HydrophobicContact CB-CB 4.28Å; L75-A95 HydrophobicContact CD2-CB 4Å; L75-P107 HydrophobicContact CB-CG 4.4Å; L75-P107 HydrophobicContact CD2-CB 4.3Å; L75-P107 HydrophobicContact CD2-CG 3.85Å; L75-P107 HydrophobicContact CG-CB 4.05Å; L75-P107 HydrophobicContact CG-CG 3.89Å; L75-L123 HydrophobicContact CD1-CD2 4.45Å; L75-L123 HydrophobicContact CD2-CD2 4.37Å
76Q92.3Very high90.5Very high2 Ų233.1 Ų33.11%0.00918%0.181CC..Hα-helixtrans-68.2-41.2175-67.3-179.516.100112.1N72 T73 G74 S79 A80 S99 W105 P107 Q110N72-Q76 PolarHBondContact OD1-OE1 3.05Å; T73-Q76 WeakPolarHBondContact O-CA 3.25Å; T73-Q76 WeakPolarHBondContact O-CB 3.45Å; T73-Q76 PolarHBondContact O-N 2.63Å; G74-Q76 PolarHBondContact O-N 3.22Å; Q76-S79 PolarHBondContact O-N 3.37Å; Q76-A80 WeakPolarHBondContact O-CB 3.26Å; Q76-A80 PolarHBondContact O-N 2.78Å; Q76-S99 PolarHBondContact NE2-O 2.83Å; Q76-W105 PolarHBondContact NE2-O 3.39Å; Q76-W105 VanDerWaalsContact NE2-O 3.15Å; Q76-P107 HydrophobicContact CG-CB 4.37Å; Q76-P107 HydrophobicContact CG-CG 3.73Å; Q76-Q110 HydrophobicContact CB-CG 4.4Å
77F92.3Very high90.9Very high49 Ų4932.6 Ų32.622%0.21518%0.177CC..Hα-helixtrans-62.9-51.6174.1-76.6-76.2000111.8L16 C19 D20 D68 N72 T73 G74 S79 A80 S81L16-F77 HydrophobicContact CB-CD2 4.39Å; L16-F77 HydrophobicContact CB-CE2 4.35Å; L16-F77 HydrophobicContact CD2-CD2 3.98Å; L16-F77 HydrophobicContact CD2-CE2 4.11Å; C19-F77 HydrophobicContact CB-CB 4.08Å; C19-F77 CarbonylContact O-C 3.56Å; D20-F77 HydrophobicContact CB-CB 4.26Å; D20-F77 HydrophobicContact CB-CD1 3.92Å; D20-F77 HydrophobicContact CB-CG 4.38Å; D68-F77 WeakPolarHBondContact OD2-CE2 3.45Å; D68-F77 VanDerWaalsContact OD2-CZ 3.25Å; D68-F77 WeakPolarHBondContact OD2-CZ 3.41Å; N72-F77 HydrophobicContact CB-CD2 4.3Å; N72-F77 HydrophobicContact CB-CE2 3.64Å; N72-F77 HydrophobicContact CB-CZ 4.07Å; T73-F77 WeakPolarHBondContact O-CD2 3.43Å; T73-F77 PolarHBondContact O-N 2.97Å; G74-F77 PolarHBondContact O-N 3.26Å; F77-S79 PolarHBondContact O-N 2.95Å; F77-A80 PolarHBondContact O-N 3.41Å; F77-S81 PolarHBondContact O-N 3.16Å
78A93.9Very high91.1Very high0 Ų033.3 Ų33.30%017%0.173CC..Hα-helixtrans-59.2-32.2177.100000112.2C19 G74 G82 H83 L86 V87 L90C19-A78 HydrophobicContact CB-CB 4.38Å; C19-A78 VanDerWaalsContact O-CA 3.28Å; C19-A78 WeakPolarHBondContact O-CA 3.27Å; C19-A78 PolarHBondContact O-N 2.97Å; G74-A78 WeakPolarHBondContact O-CB 3.44Å; G74-A78 PolarHBondContact O-N 2.85Å; A78-G82 PolarHBondContact O-N 2.95Å; A78-H83 PolarHBondContact O-N 2.94Å; A78-L86 HydrophobicContact CB-CG 4.31Å; A78-V87 HydrophobicContact CB-CG2 3.78Å; A78-L90 HydrophobicContact CB-CD1 4Å
79S94.3Very high91.3Very high0 Ų033.1 Ų33.10%017%0.172CC..Hα-helixtrans-79.5-28.3176-58.60000114.2L75 Q76 F77 P107 A111 H116L75-S79 WeakPolarHBondContact O-CB 3.39Å; L75-S79 PolarHBondContact O-N 2.95Å; L75-S79 PolarHBondContact O-OG 3.06Å; Q76-S79 PolarHBondContact O-N 3.37Å; F77-S79 PolarHBondContact O-N 2.95Å; S79-P107 WeakPolarHBondContact CB-O 2.93Å; S79-A111 WeakPolarHBondContact O-CA 3.41Å; S79-H116 PolarHBondContact O-CD2 3.15Å; S79-H116 VanDerWaalsContact O-CD2 3.3Å
80A92.1Very high91.5Very high17 Ų1727.9 Ų27.914%0.1415%0.147CC..Hα-helixtrans-73.4-39.117400000111.9Q76 F77 Q110 F114 H116Q76-A80 WeakPolarHBondContact O-CB 3.26Å; Q76-A80 PolarHBondContact O-N 2.78Å; F77-A80 PolarHBondContact O-N 3.41Å; A80-Q110 HydrophobicContact CB-CB 4.04Å; A80-F114 HydrophobicContact CB-CD2 3.99Å; A80-F114 HydrophobicContact CB-CE2 3.85Å; A80-F114 WeakPolarHBondContact O-CD2 3.33Å; A80-H116 PolarHBondContact O-CD2 3.37Å; A80-H116 PolarHBondContact O-NE2 2.83Å
81S91.2Very high91.9Very high47 Ų4724.4 Ų24.433%0.32913%0.131SC..Hα-helixtrans-93.1-8.4-176.2-65.10000113.6D20 F77 H83D20-S81 PolarHBondContact OD1-OG 2.82Å; F77-S81 PolarHBondContact O-N 3.16Å; S81-H83 WeakPolarHBondContact CB-NE2 3.3Å
82G92.3Very high92.1Very high18 Ų1833.9 Ų33.919%0.18616%0.163CC..THydrogen-bonded Turntrans92.216.6166.200000115.5A78 E84 H116A78-G82 PolarHBondContact O-N 2.95Å; G82-E84 VanDerWaalsContact C-N 3.34Å; G82-E84 PolarHBondContact O-N 2.99Å; G82-H116 PolarHBondContact N-NE2 3.43Å
83H93.9Very high92Very high53 Ų5336.5 Ų36.525%0.24517%0.173CC..  trans-80.672-167.5-60.7-53.4000112.6C19 D20 G22 A78 S81 N85 L86 V87C19-H83 PolarHBondContact O-CD2 3.36Å; D20-H83 PolarHBondContact O-NE2 3.09Å; G22-H83 VanDerWaalsContact CA-CD2 3.44Å; G22-H83 WeakPolarHBondContact CA-CD2 3.25Å; G22-H83 VanDerWaalsContact CA-CE1 3.49Å; G22-H83 WeakPolarHBondContact CA-CE1 3.18Å; G22-H83 VanDerWaalsContact CA-NE2 3.32Å; G22-H83 WeakPolarHBondContact CA-NE2 3.49Å; G22-H83 PolarHBondContact N-NE2 3.44Å; A78-H83 PolarHBondContact O-N 2.94Å; S81-H83 WeakPolarHBondContact CB-NE2 3.3Å; H83-N85 VanDerWaalsContact C-N 3.27Å; H83-N85 PolarHBondContact O-N 2.9Å; H83-L86 HydrophobicContact CB-CB 4.08Å; H83-L86 WeakPolarHBondContact O-CA 3.25Å; H83-L86 PolarHBondContact O-N 3.33Å; H83-V87 PolarHBondContact O-N 2.94Å
84E93.7Very high91.8Very high61 Ų6138.9 Ų38.929%0.28520%0.199SC..Hα-helixtrans-46.8-43.8-172.4-55.3179.5-168.400114.8G82 L86 V87 R88 T118 V119 L122G82-E84 VanDerWaalsContact C-N 3.34Å; G82-E84 PolarHBondContact O-N 2.99Å; E84-L86 VanDerWaalsContact C-N 3.3Å; E84-L86 PolarHBondContact O-N 3.01Å; E84-V87 PolarHBondContact O-N 3.34Å; E84-R88 VanDerWaalsContact CB-NH1 3.27Å; E84-R88 WeakPolarHBondContact O-CB 3.34Å; E84-R88 VanDerWaalsContact O-CG 3.23Å; E84-R88 WeakPolarHBondContact O-CG 3.38Å; E84-R88 PolarHBondContact O-N 3.25Å; E84-R88 IonicContact OE2-CZ 2.85Å; E84-R88 IonicContact OE2-NH1 2.72Å; E84-R88 PolarHBondContact OE2-NH1 3.01Å; E84-R88 IonicContact OE2-NH2 2.68Å; E84-R88 PolarHBondContact OE2-NH2 2.91Å; E84-T118 WeakPolarHBondContact CG-OG1 3.38Å; E84-T118 WeakPolarHBondContact OE1-CB 3.43Å; E84-T118 WeakPolarHBondContact OE1-CG2 3.44Å; E84-T118 PolarHBondContact OE1-OG1 2.84Å; E84-V119 HydrophobicContact CG-CG2 4.12Å; E84-L122 HydrophobicContact CB-CD1 4.31Å
85N91.8Very high91.8Very high111 Ų11139.2 Ų39.259%0.59420%0.202SC*.Hα-helixtrans-68.1-32.9-177.1-69-20.9000112.1H83 R88 F89H83-N85 VanDerWaalsContact C-N 3.27Å; H83-N85 PolarHBondContact O-N 2.9Å; N85-R88 PolarHBondContact OD1-NH1 3.43Å; N85-F89 WeakPolarHBondContact O-CB 3.31Å; N85-F89 PolarHBondContact O-N 2.71Å; N85-F89 VanDerWaalsContact O-N 3.15Å
86L91.5Very high91.7Very high3 Ų341.7 Ų41.72%0.01622%0.219CC..Hα-helixtrans-79-38.5176.3-17247000111.1C19 A27 A78 H83 E84 R88 F89 L90C19-L86 HydrophobicContact CB-CD2 4.34Å; A27-L86 HydrophobicContact CB-CD1 3.67Å; A27-L86 HydrophobicContact CB-CD2 4.15Å; A78-L86 HydrophobicContact CB-CG 4.31Å; H83-L86 HydrophobicContact CB-CB 4.08Å; H83-L86 WeakPolarHBondContact O-CA 3.25Å; H83-L86 PolarHBondContact O-N 3.33Å; E84-L86 VanDerWaalsContact C-N 3.3Å; E84-L86 PolarHBondContact O-N 3.01Å; L86-R88 PolarHBondContact O-N 3.13Å; L86-F89 HydrophobicContact CD1-CD1 4.05Å; L86-F89 PolarHBondContact O-N 3.25Å; L86-F89 VanDerWaalsContact O-N 3.12Å; L86-L90 HydrophobicContact CD1-CD1 4.37Å; L86-L90 HydrophobicContact CD1-CG 4.18Å; L86-L90 HydrophobicContact CG-CD1 4.18Å; L86-L90 HydrophobicContact CG-CG 4.49Å; L86-L90 WeakPolarHBondContact O-CB 3.46Å; L86-L90 VanDerWaalsContact O-CG 3.29Å; L86-L90 WeakPolarHBondContact O-CG 3.43Å; L86-L90 PolarHBondContact O-N 3.49Å
87V93.9Very high91.7Very high0 Ų042.9 Ų42.90%023%0.227CC..Hα-helixtrans-56.1-50168.8171.50000110.8L75 A78 H83 E84 F89 L90 L91 V119 L123L75-V87 HydrophobicContact CD1-CB 4.47Å; L75-V87 HydrophobicContact CD1-CG1 4.05Å; L75-V87 HydrophobicContact CD1-CG2 4.45Å; A78-V87 HydrophobicContact CB-CG2 3.78Å; H83-V87 PolarHBondContact O-N 2.94Å; E84-V87 PolarHBondContact O-N 3.34Å; V87-F89 VanDerWaalsContact C-N 3.26Å; V87-F89 PolarHBondContact O-N 2.91Å; V87-L90 PolarHBondContact O-N 3.37Å; V87-L91 HydrophobicContact CG1-CD1 3.77Å; V87-L91 HydrophobicContact CG1-CG 4.45Å; V87-L91 WeakPolarHBondContact O-CB 3.15Å; V87-L91 VanDerWaalsContact O-CG 3.27Å; V87-L91 WeakPolarHBondContact O-CG 3.37Å; V87-L91 PolarHBondContact O-N 2.86Å; V87-V119 HydrophobicContact CG1-CG1 4.36Å; V87-V119 HydrophobicContact CG2-CG1 4.13Å; V87-V119 HydrophobicContact CG2-CG2 4.35Å; V87-L123 HydrophobicContact CG1-CD2 4.48Å
88R93.3Very high91.6Very high75 Ų7542.7 Ų42.728%0.28323%0.228SC..Hα-helixtrans-57.2-36.3174.8-72.6168-175.4122.710.8112.7E84 N85 L86 R92 L122E84-R88 VanDerWaalsContact CB-NH1 3.27Å; E84-R88 WeakPolarHBondContact O-CB 3.34Å; E84-R88 VanDerWaalsContact O-CG 3.23Å; E84-R88 WeakPolarHBondContact O-CG 3.38Å; E84-R88 PolarHBondContact O-N 3.25Å; E84-R88 IonicContact OE2-CZ 2.85Å; E84-R88 IonicContact OE2-NH1 2.72Å; E84-R88 PolarHBondContact OE2-NH1 3.01Å; E84-R88 IonicContact OE2-NH2 2.68Å; E84-R88 PolarHBondContact OE2-NH2 2.91Å; N85-R88 PolarHBondContact OD1-NH1 3.43Å; L86-R88 PolarHBondContact O-N 3.13Å; R88-R92 WeakPolarHBondContact O-CB 3.4Å; R88-R92 WeakPolarHBondContact O-CD 3.2Å; R88-R92 WeakPolarHBondContact O-CG 3.12Å; R88-R92 PolarHBondContact O-N 2.68Å; R88-L122 HydrophobicContact CG-CD1 3.82Å; R88-L122 HydrophobicContact CG-CD2 3.92Å
89F91.6Very high91.3Very high16 Ų1643.6 Ų43.67%0.0723%0.234CC..Hα-helixtrans-74.9-46179.4176.6-104000112.4Y24 R28 L31 E32 N85 L86 V87 L91 R92 K93Y24-F89 HydrophobicContact CD2-CB 4.49Å; Y24-F89 HydrophobicContact CE2-CB 3.9Å; Y24-F89 HydrophobicContact CE2-CD2 4.11Å; Y24-F89 AromaticContact CE2-CG 3.96Å; Y24-F89 HydrophobicContact CE2-CG 3.96Å; R28-F89 HydrophobicContact CB-CE1 4.27Å; R28-F89 HydrophobicContact CB-CZ 3.99Å; R28-F89 HydrophobicContact CG-CE2 4.12Å; R28-F89 HydrophobicContact CG-CZ 3.84Å; L31-F89 HydrophobicContact CB-CE1 4.19Å; L31-F89 HydrophobicContact CB-CZ 4.37Å; L31-F89 HydrophobicContact CD1-CE1 4.04Å; E32-F89 HydrophobicContact CG-CE2 4.47Å; E32-F89 HydrophobicContact CG-CZ 4.13Å; N85-F89 WeakPolarHBondContact O-CB 3.31Å; N85-F89 PolarHBondContact O-N 2.71Å; N85-F89 VanDerWaalsContact O-N 3.15Å; L86-F89 HydrophobicContact CD1-CD1 4.05Å; L86-F89 PolarHBondContact O-N 3.25Å; L86-F89 VanDerWaalsContact O-N 3.12Å; V87-F89 VanDerWaalsContact C-N 3.26Å; V87-F89 PolarHBondContact O-N 2.91Å; F89-L91 PolarHBondContact O-N 2.84Å; F89-R92 PolarHBondContact O-N 3.15Å; F89-K93 HydrophobicContact CD1-CG 4.48Å; F89-K93 HydrophobicContact CE1-CG 4.18Å; F89-K93 HydrophobicContact CE2-CG 4.25Å; F89-K93 HydrophobicContact CZ-CD 4.41Å; F89-K93 HydrophobicContact CZ-CG 4.05Å; F89-K93 WeakPolarHBondContact O-CG 3.45Å; F89-K93 PolarHBondContact O-N 3.31Å
90L90.8Very high91.2Very high1 Ų148.9 Ų48.91%0.00525%0.254CS..Hα-helixtrans-61.2-44.6177.5-68.8169000111.3L31 V64 L75 A78 L86 V87 R92 K93 G94 A95L31-L90 HydrophobicContact CD1-CD2 3.8Å; V64-L90 HydrophobicContact CG1-CD2 4.02Å; L75-L90 HydrophobicContact CB-CD1 4.44Å; L75-L90 HydrophobicContact CD1-CB 4.16Å; L75-L90 HydrophobicContact CD1-CD1 4.41Å; A78-L90 HydrophobicContact CB-CD1 4Å; L86-L90 HydrophobicContact CD1-CD1 4.37Å; L86-L90 HydrophobicContact CD1-CG 4.18Å; L86-L90 HydrophobicContact CG-CD1 4.18Å; L86-L90 HydrophobicContact CG-CG 4.49Å; L86-L90 WeakPolarHBondContact O-CB 3.46Å; L86-L90 VanDerWaalsContact O-CG 3.29Å; L86-L90 WeakPolarHBondContact O-CG 3.43Å; L86-L90 PolarHBondContact O-N 3.49Å; V87-L90 PolarHBondContact O-N 3.37Å; L90-R92 PolarHBondContact O-N 3.19Å; L90-K93 CarbonylContact O-C 3.5Å; L90-K93 WeakPolarHBondContact O-CA 3.26Å; L90-K93 WeakPolarHBondContact O-CB 3.37Å; L90-K93 PolarHBondContact O-N 2.99Å; L90-G94 PolarHBondContact O-N 3.32Å; L90-A95 HydrophobicContact CB-CB 4.01Å; L90-A95 VanDerWaalsContact O-CB 3.23Å; L90-A95 WeakPolarHBondContact O-CB 3.32Å; L90-A95 PolarHBondContact O-N 3.05Å
91L92Very high91.1Very high19 Ų1948.3 Ų48.310%0.09925%0.249CC..Hα-helixtrans-60.1-45.2174.5-68.3168.4000111.7L75 V87 F89 K93 G94 V97 L123 N126L75-L91 HydrophobicContact CD1-CD2 4.31Å; L75-L91 HydrophobicContact CD1-CG 4.18Å; L75-L91 HydrophobicContact CD2-CD2 3.89Å; V87-L91 HydrophobicContact CG1-CD1 3.77Å; V87-L91 HydrophobicContact CG1-CG 4.45Å; V87-L91 WeakPolarHBondContact O-CB 3.15Å; V87-L91 VanDerWaalsContact O-CG 3.27Å; V87-L91 WeakPolarHBondContact O-CG 3.37Å; V87-L91 PolarHBondContact O-N 2.86Å; F89-L91 PolarHBondContact O-N 2.84Å; L91-K93 PolarHBondContact O-N 3.49Å; L91-G94 PolarHBondContact O-N 2.71Å; L91-V97 HydrophobicContact CD2-CB 4.47Å; L91-V97 HydrophobicContact CD2-CG1 4.24Å; L91-V97 HydrophobicContact CD2-CG2 3.8Å; L91-L123 HydrophobicContact CD1-CD2 4.36Å; L91-L123 HydrophobicContact CD2-CD2 4.4Å; L91-N126 HydrophobicContact CD1-CB 4.34Å; L91-N126 HydrophobicContact CD2-CB 4.32Å
92R90.8Very high91Very high211 Ų21150 Ų5080%0.79625%0.254SS*.Hα-helixtrans-63.4-22.1173.3-74.9171.2-177179.41.6114R88 F89 L90 G94R88-R92 WeakPolarHBondContact O-CB 3.4Å; R88-R92 WeakPolarHBondContact O-CD 3.2Å; R88-R92 WeakPolarHBondContact O-CG 3.12Å; R88-R92 PolarHBondContact O-N 2.68Å; F89-R92 PolarHBondContact O-N 3.15Å; L90-R92 PolarHBondContact O-N 3.19Å; R92-G94 VanDerWaalsContact C-N 3.32Å
93K87.4Confident90.7Very high78 Ų7855.8 Ų55.834%0.33927%0.271SS..THydrogen-bonded Turntrans-87.70.5174.3-71.7-74.3170.3-176.10113.3E32 V64 F89 L90 L91E32-K93 VanDerWaalsContact OE1-CE 3.22Å; E32-K93 WeakPolarHBondContact OE1-CE 3.41Å; E32-K93 IonicContact OE1-NZ 2.69Å; E32-K93 PolarHBondContact OE1-NZ 3.2Å; V64-K93 HydrophobicContact CG1-CB 4.12Å; V64-K93 HydrophobicContact CG2-CB 3.95Å; F89-K93 HydrophobicContact CD1-CG 4.48Å; F89-K93 HydrophobicContact CE1-CG 4.18Å; F89-K93 HydrophobicContact CE2-CG 4.25Å; F89-K93 HydrophobicContact CZ-CD 4.41Å; F89-K93 HydrophobicContact CZ-CG 4.05Å; F89-K93 WeakPolarHBondContact O-CG 3.45Å; F89-K93 PolarHBondContact O-N 3.31Å; L90-K93 CarbonylContact O-C 3.5Å; L90-K93 WeakPolarHBondContact O-CA 3.26Å; L90-K93 WeakPolarHBondContact O-CB 3.37Å; L90-K93 PolarHBondContact O-N 2.99Å; L91-K93 PolarHBondContact O-N 3.49Å
94G86Confident90.5Very high55 Ų5553.5 Ų53.557%0.56726%0.262SS*.THydrogen-bonded Turntrans88.720.117700000114.6L90 L91 R92 S96L90-G94 PolarHBondContact O-N 3.32Å; L91-G94 PolarHBondContact O-N 2.71Å; R92-G94 VanDerWaalsContact C-N 3.32Å; G94-S96 PolarHBondContact O-N 3.33Å
95A90.2Very high90.4Very high6 Ų651.7 Ų51.75%0.0525%0.253CS..  trans-56.9131.4171.800000111.1V64 L75 L90 V97V64-A95 HydrophobicContact CG1-CB 3.7Å; L75-A95 HydrophobicContact CB-CB 4.28Å; L75-A95 HydrophobicContact CD2-CB 4Å; L90-A95 HydrophobicContact CB-CB 4.01Å; L90-A95 VanDerWaalsContact O-CB 3.23Å; L90-A95 WeakPolarHBondContact O-CB 3.32Å; L90-A95 PolarHBondContact O-N 3.05Å; A95-V97 PolarHBondContact O-N 2.97Å
96S91.3Very high90.5Very high54 Ų5446.4 Ų46.438%0.37823%0.225SC..  trans-70.4117.8-179.8154.90000111.5D65 G94 D98 S99D65-S96 PolarHBondContact OD1-N 3.19Å; D65-S96 PolarHBondContact OD2-N 3.42Å; G94-S96 PolarHBondContact O-N 3.33Å; S96-D98 VanDerWaalsContact C-N 3.33Å; S96-D98 PolarHBondContact O-N 2.69Å; S96-S99 WeakPolarHBondContact CB-OG 3.38Å; S96-S99 WeakPolarHBondContact O-CB 3.24Å; S96-S99 PolarHBondContact O-N 3.13Å; S96-S99 PolarHBondContact O-OG 2.98Å; S96-S99 VanDerWaalsContact O-OG 3.08Å; S96-S99 PolarHBondContact OG-N 3.35Å; S96-S99 PolarHBondContact OG-OG 3.32Å
97V91.8Very high90.6Very high27 Ų2746.2 Ų46.216%0.16422%0.224CC..THydrogen-bonded Turntrans-65.8-33.4-169.7-160.30000112.8L91 A95 P107 L123 N126 A128L91-V97 HydrophobicContact CD2-CB 4.47Å; L91-V97 HydrophobicContact CD2-CG1 4.24Å; L91-V97 HydrophobicContact CD2-CG2 3.8Å; A95-V97 PolarHBondContact O-N 2.97Å; V97-P107 VanDerWaalsContact O-CD 3.23Å; V97-P107 WeakPolarHBondContact O-CD 3.5Å; V97-P107 VanDerWaalsContact O-CG 3.29Å; V97-P107 WeakPolarHBondContact O-CG 3.48Å; V97-L123 HydrophobicContact CG1-CD2 3.85Å; V97-N126 HydrophobicContact CG2-CB 4.33Å; V97-A128 HydrophobicContact CG1-CB 3.74Å
98D90.1Very high90.7Very high44 Ų4446.2 Ų46.224%0.23522%0.224CC..THydrogen-bonded Turntrans-110.223.4-178.5-68.2-56.5000113.4S96 R100 T106 A128 E129S96-D98 VanDerWaalsContact C-N 3.33Å; S96-D98 PolarHBondContact O-N 2.69Å; D98-R100 PolarHBondContact O-N 3.12Å; D98-T106 HydrophobicContact CB-CG2 4.48Å; D98-A128 WeakPolarHBondContact OD2-CA 3.32Å; D98-E129 VanDerWaalsContact CG-N 3.34Å; D98-E129 WeakPolarHBondContact OD1-CB 3.48Å; D98-E129 PolarHBondContact OD1-N 3Å; D98-E129 PolarHBondContact OD2-N 3.25Å; D98-E129 VanDerWaalsContact OD2-N 3.14Å
99S88.6Confident90.7Very high20 Ų2042.7 Ų42.714%0.1421%0.21CC..  trans-52.4122.4171.7-73.10000111D65 Q76 S96 P107D65-S99 PolarHBondContact OD1-OG 3.32Å; Q76-S99 PolarHBondContact NE2-O 2.83Å; S96-S99 WeakPolarHBondContact CB-OG 3.38Å; S96-S99 WeakPolarHBondContact O-CB 3.24Å; S96-S99 PolarHBondContact O-N 3.13Å; S96-S99 PolarHBondContact O-OG 2.98Å; S96-S99 VanDerWaalsContact O-OG 3.08Å; S96-S99 PolarHBondContact OG-N 3.35Å; S96-S99 PolarHBondContact OG-OG 3.32Å; S99-P107 WeakPolarHBondContact O-CD 3.21Å
100R90.9Very high90.8Very high111 Ų11143 Ų4342%0.41921%0.212SC..  trans-105.9125.8-175.6-80.2172.6163.899.2-11.8111.9D98 W105 T106 E129D98-R100 PolarHBondContact O-N 3.12Å; R100-W105 WeakPolarHBondContact CA-O 3.33Å; R100-T106 HydrophobicContact CG-CG2 3.86Å; R100-E129 IonicContact CZ-OE2 3.08Å; R100-E129 IonicContact NH1-OE2 2.86Å; R100-E129 PolarHBondContact NH1-OE2 3.32Å; R100-E129 VanDerWaalsContact NH2-CD 3.26Å; R100-E129 IonicContact NH2-OE1 3.35Å; R100-E129 PolarHBondContact NH2-OE1 3.29Å; R100-E129 VanDerWaalsContact NH2-OE1 3.08Å; R100-E129 IonicContact NH2-OE2 3.55Å; R100-E129 PolarHBondContact NH2-OE2 3.32Å
101N90Very high91Very high5 Ų543 Ų433%0.02721%0.212CC..  trans-76.5-175.1178.173.41.9000113.9G71 N72 Y103 G104 W105G71-N101 VanDerWaalsContact O-CA 3.31Å; G71-N101 WeakPolarHBondContact O-CA 3.24Å; G71-N101 VanDerWaalsContact O-CB 3.32Å; G71-N101 WeakPolarHBondContact O-CB 3.4Å; N72-N101 PolarHBondContact OD1-ND2 2.68Å; N101-Y103 PolarHBondContact O-N 2.72Å; N101-Y103 WeakPolarHBondContact OD1-CA 3.4Å; N101-Y103 WeakPolarHBondContact OD1-CB 3.34Å; N101-Y103 PolarHBondContact OD1-N 3.47Å; N101-G104 PolarHBondContact O-N 3.04Å; N101-G104 PolarHBondContact OD1-N 3.46Å; N101-W105 PolarHBondContact N-O 2.63Å; N101-W105 PolarHBondContact OD1-N 3.38Å
102N89.5Confident91.1Very high82 Ų8242 Ų4244%0.43921%0.207SC..THydrogen-bonded Turntrans-63.7-7.7177.7-71.5-26.6000114.6E69 E70 R135E69-N102 PolarHBondContact O-ND2 2.81Å; E69-N102 VanDerWaalsContact O-ND2 3.11Å; E70-N102 VanDerWaalsContact C-ND2 3.3Å; E70-N102 WeakPolarHBondContact O-CB 3.34Å; E70-N102 VanDerWaalsContact O-CG 3.32Å; E70-N102 PolarHBondContact O-N 2.93Å; E70-N102 PolarHBondContact O-ND2 2.91Å; N102-R135 WeakPolarHBondContact O-CD 3.43Å; N102-R135 PolarHBondContact O-NE 3.26Å; N102-R135 PolarHBondContact O-NH1 2.81Å
103Y86.6Confident91.2Very high139 Ų13936.8 Ų36.855%0.54519%0.187SC..THydrogen-bonded Turntrans-108.3-0.3172.5-55.1-75.7000112.9N101 W105 R135N101-Y103 PolarHBondContact O-N 2.72Å; N101-Y103 WeakPolarHBondContact OD1-CA 3.4Å; N101-Y103 WeakPolarHBondContact OD1-CB 3.34Å; N101-Y103 PolarHBondContact OD1-N 3.47Å; Y103-W105 VanDerWaalsContact CB-CD1 3.46Å; Y103-R135 WeakPolarHBondContact O-CB 3.35Å; Y103-R135 WeakPolarHBondContact O-CG 3Å; Y103-R135 PolarHBondContact O-N 2.95Å
104G88.8Confident91.4Very high6 Ų637.7 Ų37.76%0.06219%0.191CC..  trans79.318.2-178.400000115.2N101 N134N101-G104 PolarHBondContact O-N 3.04Å; N101-G104 PolarHBondContact OD1-N 3.46Å; G104-N134 WeakPolarHBondContact O-CA 3.49Å; G104-N134 WeakPolarHBondContact O-CB 3.48Å
105W91.5Very high91.8Very high22 Ų2236.1 Ų36.18%0.08318%0.175CC..  trans-82136.7179.8-68.457.2000111.4Q76 R100 N101 Y103 M109 R113 M143Q76-W105 PolarHBondContact NE2-O 3.39Å; Q76-W105 VanDerWaalsContact NE2-O 3.15Å; R100-W105 WeakPolarHBondContact CA-O 3.33Å; N101-W105 PolarHBondContact N-O 2.63Å; N101-W105 PolarHBondContact OD1-N 3.38Å; Y103-W105 VanDerWaalsContact CB-CD1 3.46Å; W105-M109 HydrophobicContact CB-SD 4.35Å; W105-M109 HydrophobicContact CE3-CB 3.78Å; W105-M109 HydrophobicContact CZ3-CB 4.31Å; W105-R113 HydrophobicContact CZ3-CB 4.18Å; W105-R113 VanDerWaalsContact CZ3-CD 3.46Å; W105-R113 HydrophobicContact CZ3-CG 4.43Å; W105-M143 HydrophobicContact CH2-CG 4.17Å; W105-M143 HydrophobicContact CH2-SD 3.3Å; W105-M143 WeakPolarHBondContact CH2-SD 3.44Å; W105-M143 HydrophobicContact CZ2-SD 4.02Å; W105-M143 HydrophobicContact CZ3-CG 4.13Å; W105-M143 HydrophobicContact CZ3-SD 3.86Å
106T93.9Very high92Very high0 Ų038.1 Ų38.10%018%0.183CC..  trans-94.7161.8169.564.30000111.2D98 R100 L108 M109 Q110D98-T106 HydrophobicContact CB-CG2 4.48Å; R100-T106 HydrophobicContact CG-CG2 3.86Å; T106-L108 PolarHBondContact O-N 2.99Å; T106-M109 WeakPolarHBondContact O-CB 3.42Å; T106-M109 PolarHBondContact O-N 3.02Å; T106-M109 VanDerWaalsContact O-N 3.09Å; T106-M109 WeakPolarHBondContact OG1-CG 3.45Å; T106-M109 PolarHBondContact OG1-N 2.83Å; T106-Q110 PolarHBondContact O-N 3.37Å
107P94.2Very high92.2Very high0 Ų038.8 Ų38.80%018%0.182CC..Hα-helixtrans-50.2-38.8169.1-2833.6000113.5L75 Q76 S79 V97 S99 M109 Q110 A111 L123L75-P107 HydrophobicContact CB-CG 4.4Å; L75-P107 HydrophobicContact CD2-CB 4.3Å; L75-P107 HydrophobicContact CD2-CG 3.85Å; L75-P107 HydrophobicContact CG-CB 4.05Å; L75-P107 HydrophobicContact CG-CG 3.89Å; Q76-P107 HydrophobicContact CG-CB 4.37Å; Q76-P107 HydrophobicContact CG-CG 3.73Å; S79-P107 WeakPolarHBondContact CB-O 2.93Å; V97-P107 VanDerWaalsContact O-CD 3.23Å; V97-P107 WeakPolarHBondContact O-CD 3.5Å; V97-P107 VanDerWaalsContact O-CG 3.29Å; V97-P107 WeakPolarHBondContact O-CG 3.48Å; S99-P107 WeakPolarHBondContact O-CD 3.21Å; P107-M109 PolarHBondContact O-N 3.22Å; P107-Q110 WeakPolarHBondContact O-CB 3.42Å; P107-Q110 PolarHBondContact O-N 2.84Å; P107-A111 PolarHBondContact O-N 3.21Å; P107-L123 HydrophobicContact CB-CD1 4Å; P107-L123 HydrophobicContact CB-CD2 4.1Å
108L95.3Very high92.3Very high0 Ų040.6 Ų40.60%019%0.193CC..Hα-helixtrans-65.4-37.7178.9-175.466000112.1T106 Q110 A111 A112 A120 L123 L124 A128 V140T106-L108 PolarHBondContact O-N 2.99Å; L108-Q110 VanDerWaalsContact C-N 3.31Å; L108-Q110 PolarHBondContact O-N 3.38Å; L108-A111 PolarHBondContact O-N 2.96Å; L108-A112 WeakPolarHBondContact O-CB 3.4Å; L108-A112 PolarHBondContact O-N 2.77Å; L108-A120 HydrophobicContact CD1-CB 4.04Å; L108-L123 HydrophobicContact CB-CD1 4.25Å; L108-L123 HydrophobicContact CD1-CB 4.08Å; L108-L123 HydrophobicContact CD1-CD1 4.31Å; L108-L124 HydrophobicContact CD1-CD2 4.47Å; L108-L124 HydrophobicContact CD1-CG 4.31Å; L108-L124 HydrophobicContact CD2-CD2 3.73Å; L108-L124 HydrophobicContact CD2-CG 4.44Å; L108-A128 HydrophobicContact CB-CB 4.28Å; L108-A128 HydrophobicContact CD2-CB 3.99Å; L108-V140 HydrophobicContact CD2-CG1 3.97Å; L108-V140 HydrophobicContact CD2-CG2 4.2Å; L108-V140 HydrophobicContact CG-CG1 3.78Å
109M93.8Very high92.6Very high0 Ų038.5 Ų38.50%018%0.182CC..Hα-helixtrans-64.6-34.6173.5-67.6173.2-173.500112.8W105 T106 P107 R113 G132 R133 N134 V140W105-M109 HydrophobicContact CB-SD 4.35Å; W105-M109 HydrophobicContact CE3-CB 3.78Å; W105-M109 HydrophobicContact CZ3-CB 4.31Å; T106-M109 WeakPolarHBondContact O-CB 3.42Å; T106-M109 PolarHBondContact O-N 3.02Å; T106-M109 VanDerWaalsContact O-N 3.09Å; T106-M109 WeakPolarHBondContact OG1-CG 3.45Å; T106-M109 PolarHBondContact OG1-N 2.83Å; P107-M109 PolarHBondContact O-N 3.22Å; M109-R113 VanDerWaalsContact O-CB 3.23Å; M109-R113 WeakPolarHBondContact O-CB 3.44Å; M109-R113 PolarHBondContact O-N 3Å; M109-G132 WeakPolarHBondContact CE-O 3.26Å; M109-R133 VanDerWaalsContact CE-C 3.46Å; M109-N134 HydrophobicContact CE-CB 4.28Å; M109-N134 HydrophobicContact SD-CB 3.91Å; M109-V140 HydrophobicContact CE-CG2 4.32Å; M109-V140 HydrophobicContact CG-CG2 3.95Å
110Q93.5Very high92.9Very high23 Ų2337.5 Ų37.511%0.10718%0.175CC..Hα-helixtrans-68.6-50.5175.2-60.8-733200110.4Q76 A80 T106 P107 L108 A112 R113 F114Q76-Q110 HydrophobicContact CB-CG 4.4Å; A80-Q110 HydrophobicContact CB-CB 4.04Å; T106-Q110 PolarHBondContact O-N 3.37Å; P107-Q110 WeakPolarHBondContact O-CB 3.42Å; P107-Q110 PolarHBondContact O-N 2.84Å; L108-Q110 VanDerWaalsContact C-N 3.31Å; L108-Q110 PolarHBondContact O-N 3.38Å; Q110-A112 VanDerWaalsContact C-N 3.28Å; Q110-A112 PolarHBondContact O-N 3.03Å; Q110-R113 PolarHBondContact O-N 3.18Å; Q110-R113 VanDerWaalsContact O-N 3.15Å; Q110-F114 VanDerWaalsContact O-CD2 3.28Å; Q110-F114 WeakPolarHBondContact O-CD2 3.44Å; Q110-F114 PolarHBondContact O-N 3.3Å; Q110-F114 VanDerWaalsContact O-N 3.14Å
111A95.1Very high93.1Very high0 Ų036.6 Ų36.60%018%0.175CC..Hα-helixtrans-56.5-41.9175.800000112.2S79 P107 L108 G115 H116 V119 A120 L123S79-A111 WeakPolarHBondContact O-CA 3.41Å; P107-A111 PolarHBondContact O-N 3.21Å; L108-A111 PolarHBondContact O-N 2.96Å; A111-G115 PolarHBondContact O-N 2.91Å; A111-H116 PolarHBondContact O-N 3.47Å; A111-V119 HydrophobicContact CB-CB 4.23Å; A111-V119 HydrophobicContact CB-CG1 3.68Å; A111-A120 HydrophobicContact CB-CB 4.38Å; A111-L123 HydrophobicContact CB-CD1 4.16Å
112A94.9Very high93.3Very high0 Ų037.3 Ų37.30%018%0.179CC..Hα-helixtrans-63.6-44.5175.600000113L108 Q110 F114 G115 V140 M143 A144 H149 V152L108-A112 WeakPolarHBondContact O-CB 3.4Å; L108-A112 PolarHBondContact O-N 2.77Å; Q110-A112 VanDerWaalsContact C-N 3.28Å; Q110-A112 PolarHBondContact O-N 3.03Å; A112-F114 VanDerWaalsContact C-N 3.33Å; A112-F114 PolarHBondContact O-N 3.43Å; A112-G115 PolarHBondContact O-N 3.41Å; A112-V140 HydrophobicContact CB-CG1 3.8Å; A112-M143 HydrophobicContact CB-CB 4.41Å; A112-A144 HydrophobicContact CB-CB 4.15Å; A112-A144 WeakPolarHBondContact O-CA 3.24Å; A112-H149 PolarHBondContact O-CD2 3.48Å; A112-V152 HydrophobicContact CB-CG1 4.38Å
113R92.8Very high93.6Very high101 Ų10133.4 Ų33.438%0.38116%0.158SC..Hα-helixtrans-63.4-33.8179.8172.2175.8179.2173.8-2.1113.9W105 M109 Q110 M143 H149W105-R113 HydrophobicContact CZ3-CB 4.18Å; W105-R113 VanDerWaalsContact CZ3-CD 3.46Å; W105-R113 HydrophobicContact CZ3-CG 4.43Å; M109-R113 VanDerWaalsContact O-CB 3.23Å; M109-R113 WeakPolarHBondContact O-CB 3.44Å; M109-R113 PolarHBondContact O-N 3Å; Q110-R113 PolarHBondContact O-N 3.18Å; Q110-R113 VanDerWaalsContact O-N 3.15Å; R113-M143 HydrophobicContact CB-CB 4.39Å; R113-H149 PolarHBondContact O-NE2 3.25Å
114F91.8Very high93.9Very high97 Ų9728.9 Ų28.943%0.42514%0.144SC..Hα-helixtrans-101.6-9-178.1-66-73.3000113.8A80 Q110 A112 H149A80-F114 HydrophobicContact CB-CD2 3.99Å; A80-F114 HydrophobicContact CB-CE2 3.85Å; A80-F114 WeakPolarHBondContact O-CD2 3.33Å; Q110-F114 VanDerWaalsContact O-CD2 3.28Å; Q110-F114 WeakPolarHBondContact O-CD2 3.44Å; Q110-F114 PolarHBondContact O-N 3.3Å; Q110-F114 VanDerWaalsContact O-N 3.14Å; A112-F114 VanDerWaalsContact C-N 3.33Å; A112-F114 PolarHBondContact O-N 3.43Å; F114-H149 VanDerWaalsContact C-NE2 3.29Å; F114-H149 PolarHBondContact O-CE1 3.48Å; F114-H149 PolarHBondContact O-NE2 2.83Å
115G93.1Very high94.1Very high21 Ų2134.6 Ų34.622%0.21617%0.168CC..THydrogen-bonded Turntrans90.817.6169.900000115.8A111 A112 L117 H149A111-G115 PolarHBondContact O-N 2.91Å; A112-G115 PolarHBondContact O-N 3.41Å; G115-L117 VanDerWaalsContact C-N 3.32Å; G115-L117 PolarHBondContact O-N 2.81Å; G115-H149 VanDerWaalsContact CA-CD2 3.4Å; G115-H149 WeakPolarHBondContact CA-CD2 3.48Å; G115-H149 WeakPolarHBondContact CA-ND1 3.04Å; G115-H149 PolarHBondContact N-CD2 3.09Å; G115-H149 PolarHBondContact N-NE2 2.93Å
116H95Very high94.2Very high49 Ų4937.5 Ų37.523%0.22719%0.186CC..  trans-77.278.6-174.9-60.2-57.8000111.4S79 A80 G82 A111 T118 V119 A120S79-H116 PolarHBondContact O-CD2 3.15Å; S79-H116 VanDerWaalsContact O-CD2 3.3Å; A80-H116 PolarHBondContact O-CD2 3.37Å; A80-H116 PolarHBondContact O-NE2 2.83Å; G82-H116 PolarHBondContact N-NE2 3.43Å; A111-H116 PolarHBondContact O-N 3.47Å; H116-T118 VanDerWaalsContact C-N 3.33Å; H116-T118 PolarHBondContact O-N 2.6Å; H116-V119 HydrophobicContact CB-CB 3.86Å; H116-V119 HydrophobicContact CB-CG2 4.03Å; H116-V119 PolarHBondContact O-N 2.85Å; H116-V119 VanDerWaalsContact O-N 3.11Å; H116-A120 PolarHBondContact O-N 2.76Å
117L94.6Very high94Very high67 Ų6740.2 Ų40.235%0.35121%0.214SC..Hα-helixtrans-51-46.3-174.8-177.269.2000113.9G115 A120 H121 H151 V152 L155G115-L117 VanDerWaalsContact C-N 3.32Å; G115-L117 PolarHBondContact O-N 2.81Å; L117-A120 PolarHBondContact O-N 3.24Å; L117-H121 WeakPolarHBondContact O-CB 3.45Å; L117-H121 PolarHBondContact O-N 2.84Å; L117-H151 HydrophobicContact CD1-CB 3.97Å; L117-H151 WeakPolarHBondContact CD1-O 3.31Å; L117-H151 HydrophobicContact CD2-CB 3.96Å; L117-H151 HydrophobicContact CG-CB 4.49Å; L117-V152 HydrophobicContact CB-CG2 4.18Å; L117-V152 HydrophobicContact CD1-CG2 4.07Å; L117-L155 HydrophobicContact CD1-CB 3.95Å; L117-L155 HydrophobicContact CD1-CD1 3.81Å; L117-L155 HydrophobicContact CD1-CG 4.42Å
118T95.2Very high93.9Very high65 Ų6540.7 Ų40.740%0.39922%0.218SC..Hα-helixtrans-68.2-37.4-179.343.80000112.3E84 H116 L122E84-T118 WeakPolarHBondContact CG-OG1 3.38Å; E84-T118 WeakPolarHBondContact OE1-CB 3.43Å; E84-T118 WeakPolarHBondContact OE1-CG2 3.44Å; E84-T118 PolarHBondContact OE1-OG1 2.84Å; H116-T118 VanDerWaalsContact C-N 3.33Å; H116-T118 PolarHBondContact O-N 2.6Å; T118-L122 WeakPolarHBondContact O-CD1 3.01Å; T118-L122 VanDerWaalsContact O-CG 3.22Å; T118-L122 WeakPolarHBondContact O-CG 3.22Å; T118-L122 PolarHBondContact O-N 2.84Å
119V95.4Very high93.7Very high0 Ų044.3 Ų44.30%024%0.235CC..Hα-helixtrans-66.6-44.41721730000111.1E84 V87 A111 H116 H121 L122 L123E84-V119 HydrophobicContact CG-CG2 4.12Å; V87-V119 HydrophobicContact CG1-CG1 4.36Å; V87-V119 HydrophobicContact CG2-CG1 4.13Å; V87-V119 HydrophobicContact CG2-CG2 4.35Å; A111-V119 HydrophobicContact CB-CB 4.23Å; A111-V119 HydrophobicContact CB-CG1 3.68Å; H116-V119 HydrophobicContact CB-CB 3.86Å; H116-V119 HydrophobicContact CB-CG2 4.03Å; H116-V119 PolarHBondContact O-N 2.85Å; H116-V119 VanDerWaalsContact O-N 3.11Å; V119-H121 VanDerWaalsContact C-N 3.32Å; V119-H121 PolarHBondContact O-N 3.31Å; V119-L122 PolarHBondContact O-N 3.19Å; V119-L123 HydrophobicContact CG1-CD1 3.89Å; V119-L123 HydrophobicContact CG1-CG 4.39Å; V119-L123 WeakPolarHBondContact O-CG 3.5Å; V119-L123 PolarHBondContact O-N 2.84Å
120A95.3Very high93.6Very high0 Ų045.6 Ų45.60%024%0.241CC..Hα-helixtrans-60.8-41.8177.400000111.7L108 A111 H116 L117 L123 L124 V152 L155L108-A120 HydrophobicContact CD1-CB 4.04Å; A111-A120 HydrophobicContact CB-CB 4.38Å; H116-A120 PolarHBondContact O-N 2.76Å; L117-A120 PolarHBondContact O-N 3.24Å; A120-L123 PolarHBondContact O-N 3.12Å; A120-L124 WeakPolarHBondContact O-CG 3.48Å; A120-L124 PolarHBondContact O-N 2.95Å; A120-L124 VanDerWaalsContact O-N 3.08Å; A120-V152 HydrophobicContact CB-CG1 4.08Å; A120-L155 HydrophobicContact CB-CD2 4.14Å
121H95.1Very high93.3Very high91 Ų9146.3 Ų46.342%0.42125%0.246SC..Hα-helixtrans-59.4-50.3173.4-165.6-73.5000111.7L117 V119 L123 L124 E125 L155L117-H121 WeakPolarHBondContact O-CB 3.45Å; L117-H121 PolarHBondContact O-N 2.84Å; V119-H121 VanDerWaalsContact C-N 3.32Å; V119-H121 PolarHBondContact O-N 3.31Å; H121-L123 VanDerWaalsContact C-N 3.3Å; H121-L123 PolarHBondContact O-N 2.84Å; H121-L124 PolarHBondContact O-N 2.67Å; H121-E125 IonicContact CE1-OE1 2.71Å; H121-E125 PolarHBondContact CE1-OE1 3.22Å; H121-E125 IonicContact CE1-OE2 3.54Å; H121-E125 IonicContact ND1-OE1 2.8Å; H121-E125 IonicContact ND1-OE2 3.2Å; H121-E125 PolarHBondContact ND1-OE2 2.92Å; H121-E125 WeakPolarHBondContact O-CG 3.43Å; H121-E125 PolarHBondContact O-N 3.02Å; H121-L155 HydrophobicContact CB-CD1 3.87Å
122L94.8Very high92.9Very high20 Ų2046.3 Ų46.311%0.10525%0.246CC..Hα-helixtrans-58.6-39.3178.2-72.3164.9000113E84 R88 T118 V119 N126E84-L122 HydrophobicContact CB-CD1 4.31Å; R88-L122 HydrophobicContact CG-CD1 3.82Å; R88-L122 HydrophobicContact CG-CD2 3.92Å; T118-L122 WeakPolarHBondContact O-CD1 3.01Å; T118-L122 VanDerWaalsContact O-CG 3.22Å; T118-L122 WeakPolarHBondContact O-CG 3.22Å; T118-L122 PolarHBondContact O-N 2.84Å; V119-L122 PolarHBondContact O-N 3.19Å; L122-N126 PolarHBondContact O-N 3.38Å; L122-N126 VanDerWaalsContact O-N 3.16Å; L122-N126 PolarHBondContact O-ND2 2.73Å
123L94.3Very high92.5Very high0 Ų049 Ų490%026%0.256CS..Hα-helixtrans-68.5-42.1178.6-70.5169.1000111.4L75 V87 L91 V97 P107 L108 A111 V119 A120 H121 N126 G127 A128L75-L123 HydrophobicContact CD1-CD2 4.45Å; L75-L123 HydrophobicContact CD2-CD2 4.37Å; V87-L123 HydrophobicContact CG1-CD2 4.48Å; L91-L123 HydrophobicContact CD1-CD2 4.36Å; L91-L123 HydrophobicContact CD2-CD2 4.4Å; V97-L123 HydrophobicContact CG1-CD2 3.85Å; P107-L123 HydrophobicContact CB-CD1 4Å; P107-L123 HydrophobicContact CB-CD2 4.1Å; L108-L123 HydrophobicContact CB-CD1 4.25Å; L108-L123 HydrophobicContact CD1-CB 4.08Å; L108-L123 HydrophobicContact CD1-CD1 4.31Å; A111-L123 HydrophobicContact CB-CD1 4.16Å; V119-L123 HydrophobicContact CG1-CD1 3.89Å; V119-L123 HydrophobicContact CG1-CG 4.39Å; V119-L123 WeakPolarHBondContact O-CG 3.5Å; V119-L123 PolarHBondContact O-N 2.84Å; A120-L123 PolarHBondContact O-N 3.12Å; H121-L123 VanDerWaalsContact C-N 3.3Å; H121-L123 PolarHBondContact O-N 2.84Å; L123-N126 CarbonylContact O-C 3.46Å; L123-N126 PolarHBondContact O-N 3.46Å; L123-G127 PolarHBondContact O-N 2.81Å; L123-A128 HydrophobicContact CB-CB 4.07Å; L123-A128 VanDerWaalsContact O-CB 3.25Å; L123-A128 WeakPolarHBondContact O-CB 3.41Å; L123-A128 PolarHBondContact O-N 3.43Å
124L93.8Very high92.2Very high45 Ų4544.6 Ų44.624%0.23624%0.24CC..Hα-helixtrans-65.6-40174-68.3178.7000112.5L108 A120 H121 N126 G127 A128 I130 L155L108-L124 HydrophobicContact CD1-CD2 4.47Å; L108-L124 HydrophobicContact CD1-CG 4.31Å; L108-L124 HydrophobicContact CD2-CD2 3.73Å; L108-L124 HydrophobicContact CD2-CG 4.44Å; A120-L124 WeakPolarHBondContact O-CG 3.48Å; A120-L124 PolarHBondContact O-N 2.95Å; A120-L124 VanDerWaalsContact O-N 3.08Å; H121-L124 PolarHBondContact O-N 2.67Å; L124-N126 PolarHBondContact O-N 3.08Å; L124-G127 PolarHBondContact O-N 2.94Å; L124-A128 HydrophobicContact CD2-CB 4.46Å; L124-I130 HydrophobicContact CD1-CD1 4.14Å; L124-I130 HydrophobicContact CD2-CB 3.8Å; L124-I130 HydrophobicContact CD2-CD1 4.06Å; L124-I130 HydrophobicContact CD2-CG1 3.88Å; L124-L155 HydrophobicContact CD1-CD2 3.63Å; L124-L155 HydrophobicContact CD1-CG 4.44Å
125E93.3Very high91.9Very high125 Ų12546.8 Ų46.858%0.58425%0.245SC*.Hα-helixtrans-59.8-27.2172.9-75.9175.2122.900113H121H121-E125 IonicContact CE1-OE1 2.71Å; H121-E125 PolarHBondContact CE1-OE1 3.22Å; H121-E125 IonicContact CE1-OE2 3.54Å; H121-E125 IonicContact ND1-OE1 2.8Å; H121-E125 IonicContact ND1-OE2 3.2Å; H121-E125 PolarHBondContact ND1-OE2 2.92Å; H121-E125 WeakPolarHBondContact O-CG 3.43Å; H121-E125 PolarHBondContact O-N 3.02Å
126N92.4Very high91.3Very high83 Ų8351.5 Ų51.544%0.44427%0.265SS..THydrogen-bonded Turntrans-96.210.5175.7-71.8-100.4000112.9L91 V97 L122 L123 L124L91-N126 HydrophobicContact CD1-CB 4.34Å; L91-N126 HydrophobicContact CD2-CB 4.32Å; V97-N126 HydrophobicContact CG2-CB 4.33Å; L122-N126 PolarHBondContact O-N 3.38Å; L122-N126 VanDerWaalsContact O-N 3.16Å; L122-N126 PolarHBondContact O-ND2 2.73Å; L123-N126 CarbonylContact O-C 3.46Å; L123-N126 PolarHBondContact O-N 3.46Å; L124-N126 PolarHBondContact O-N 3.08Å
127G89.5Confident90.6Very high58 Ų5850 Ų5060%0.59826%0.262SS*.THydrogen-bonded Turntrans93.317.9168.100000116.8L123 L124L123-G127 PolarHBondContact O-N 2.81Å; L124-G127 PolarHBondContact O-N 2.94Å
128A92.9Very high90.1Very high9 Ų947.6 Ų47.67%0.07425%0.252CS..  trans-57.1145.9-179.300000114.5V97 D98 L108 L123 L124 I130V97-A128 HydrophobicContact CG1-CB 3.74Å; D98-A128 WeakPolarHBondContact OD2-CA 3.32Å; L108-A128 HydrophobicContact CB-CB 4.28Å; L108-A128 HydrophobicContact CD2-CB 3.99Å; L123-A128 HydrophobicContact CB-CB 4.07Å; L123-A128 VanDerWaalsContact O-CB 3.25Å; L123-A128 WeakPolarHBondContact O-CB 3.41Å; L123-A128 PolarHBondContact O-N 3.43Å; L124-A128 HydrophobicContact CD2-CB 4.46Å; A128-I130 PolarHBondContact O-N 3.39Å
129E91Very high89.9Confident77 Ų7744.6 Ų44.636%0.3623%0.234SC..  trans-7187.2-178.3-166.6-168.5148.400112D98 R100 N131 G132D98-E129 VanDerWaalsContact CG-N 3.34Å; D98-E129 WeakPolarHBondContact OD1-CB 3.48Å; D98-E129 PolarHBondContact OD1-N 3Å; D98-E129 PolarHBondContact OD2-N 3.25Å; D98-E129 VanDerWaalsContact OD2-N 3.14Å; R100-E129 IonicContact CZ-OE2 3.08Å; R100-E129 IonicContact NH1-OE2 2.86Å; R100-E129 PolarHBondContact NH1-OE2 3.32Å; R100-E129 VanDerWaalsContact NH2-CD 3.26Å; R100-E129 IonicContact NH2-OE1 3.35Å; R100-E129 PolarHBondContact NH2-OE1 3.29Å; R100-E129 VanDerWaalsContact NH2-OE1 3.08Å; R100-E129 IonicContact NH2-OE2 3.55Å; R100-E129 PolarHBondContact NH2-OE2 3.32Å; E129-N131 VanDerWaalsContact C-N 3.26Å; E129-N131 PolarHBondContact O-N 2.86Å; E129-G132 PolarHBondContact O-N 3.28Å; E129-G132 WeakPolarHBondContact OE1-CA 3.37Å
130I91.2Very high89.7Confident27 Ų2744.6 Ų44.614%0.13823%0.234CC..THydrogen-bonded Turntrans-56.8-34.4-174.8-162.3173.5000114.4L124 A128 V140 L156 G159 A161L124-I130 HydrophobicContact CD1-CD1 4.14Å; L124-I130 HydrophobicContact CD2-CB 3.8Å; L124-I130 HydrophobicContact CD2-CD1 4.06Å; L124-I130 HydrophobicContact CD2-CG1 3.88Å; A128-I130 PolarHBondContact O-N 3.39Å; I130-V140 WeakPolarHBondContact O-CB 3.36Å; I130-V140 VanDerWaalsContact O-CG2 3.26Å; I130-V140 WeakPolarHBondContact O-CG2 3.37Å; I130-L156 HydrophobicContact CD1-CD2 4.17Å; I130-L156 WeakPolarHBondContact CD1-O 3.14Å; I130-L156 HydrophobicContact CG1-CD2 3.7Å; I130-G159 WeakPolarHBondContact CD1-O 3.48Å; I130-A161 HydrophobicContact CD1-CB 4.21Å; I130-A161 HydrophobicContact CG1-CB 4.16Å
131N88.8Confident89.6Confident37 Ų3744.7 Ų44.720%0.19824%0.235CC..THydrogen-bonded Turntrans-97.413.2178.9-73.1-47.2000113.2E129 G160 A161 Y162E129-N131 VanDerWaalsContact C-N 3.26Å; E129-N131 PolarHBondContact O-N 2.86Å; N131-G160 PolarHBondContact ND2-O 3.06Å; N131-A161 VanDerWaalsContact OD1-CA 3.27Å; N131-A161 WeakPolarHBondContact OD1-CA 3.45Å; N131-Y162 HydrophobicContact CB-CD2 3.82Å; N131-Y162 HydrophobicContact CB-CE2 3.71Å; N131-Y162 VanDerWaalsContact ND2-CE2 3.32Å; N131-Y162 WeakPolarHBondContact ND2-CE2 3.47Å; N131-Y162 WeakPolarHBondContact OD1-CD2 3.43Å; N131-Y162 PolarHBondContact OD1-N 2.81Å
132G85.7Confident89.3Confident0 Ų040.4 Ų40.40%022%0.215CC..  trans-61.3143.2179.600000112.9M109 E129 S139 V140M109-G132 WeakPolarHBondContact CE-O 3.26Å; E129-G132 PolarHBondContact O-N 3.28Å; E129-G132 WeakPolarHBondContact OE1-CA 3.37Å; G132-S139 WeakPolarHBondContact O-CA 3.32Å; G132-V140 PolarHBondContact O-N 3.3Å
133R86.3Confident89.2Confident57 Ų5739.8 Ų39.822%0.21521%0.211CC..BIsolated β-bridgetrans-118.1147.5177.7-62.1-179.1-176.9171.53111.9M109 A138 D165M109-R133 VanDerWaalsContact CE-C 3.46Å; R133-A138 WeakPolarHBondContact CA-O 3.49Å; R133-D165 IonicContact CZ-OD1 2.72Å; R133-D165 VanDerWaalsContact CZ-OD1 3.25Å; R133-D165 IonicContact NE-OD1 2.76Å; R133-D165 PolarHBondContact NE-OD1 3.03Å; R133-D165 VanDerWaalsContact NE-OD1 3.11Å; R133-D165 VanDerWaalsContact NH2-CB 3.32Å; R133-D165 PolarHBondContact NH2-O 3.2Å; R133-D165 IonicContact NH2-OD1 3.18Å; R133-D165 PolarHBondContact NH2-OD1 3.32Å
134N86.9Confident89.2Confident9 Ų939.8 Ų39.85%0.04821%0.211CC..  trans-90.7179175.770.724.7000112.3G104 M109 L136 G137 A138G104-N134 WeakPolarHBondContact O-CA 3.49Å; G104-N134 WeakPolarHBondContact O-CB 3.48Å; M109-N134 HydrophobicContact CE-CB 4.28Å; M109-N134 HydrophobicContact SD-CB 3.91Å; N134-L136 PolarHBondContact O-N 3.17Å; N134-L136 WeakPolarHBondContact OD1-CA 3.49Å; N134-L136 WeakPolarHBondContact OD1-CB 3.36Å; N134-L136 PolarHBondContact OD1-N 2.95Å; N134-G137 PolarHBondContact O-N 3.21Å; N134-G137 PolarHBondContact OD1-N 3.01Å; N134-A138 PolarHBondContact N-O 3.42Å; N134-A138 PolarHBondContact OD1-N 3.47Å
135R85.4Confident89.1Confident142 Ų14237.6 Ų37.654%0.53620%0.2SC..THydrogen-bonded Turntrans-64.9-9.9-177.7-65.2-178.2-168.8-168.24.9114.4N102 Y103N102-R135 WeakPolarHBondContact O-CD 3.43Å; N102-R135 PolarHBondContact O-NE 3.26Å; N102-R135 PolarHBondContact O-NH1 2.81Å; Y103-R135 WeakPolarHBondContact O-CB 3.35Å; Y103-R135 WeakPolarHBondContact O-CG 3Å; Y103-R135 PolarHBondContact O-N 2.95Å
136L79.9Confident89Confident120 Ų12037.2 Ų37.263%0.62819%0.193SC*.THydrogen-bonded Turntrans-94.71.2174.5-54.4174.8000112.6N134 A138N134-L136 PolarHBondContact O-N 3.17Å; N134-L136 WeakPolarHBondContact OD1-CA 3.49Å; N134-L136 WeakPolarHBondContact OD1-CB 3.36Å; N134-L136 PolarHBondContact OD1-N 2.95Å; L136-A138 VanDerWaalsContact C-N 3.3Å
137G80.2Confident88.8Confident17 Ų1734.6 Ų34.618%0.17519%0.186CC..SBendtrans84.9-4.3-175.800000114.5N134N134-G137 PolarHBondContact O-N 3.21Å; N134-G137 PolarHBondContact OD1-N 3.01Å
138A85.6Confident88.8Confident17 Ų1732.6 Ų32.614%0.1417%0.165CC..  trans-81.1130.4-172.500000112.4R133 N134 L136 M143R133-A138 WeakPolarHBondContact CA-O 3.49Å; N134-A138 PolarHBondContact N-O 3.42Å; N134-A138 PolarHBondContact OD1-N 3.47Å; L136-A138 VanDerWaalsContact C-N 3.3Å; A138-M143 HydrophobicContact CB-CE 3.71Å
139S89.9Confident88.9Confident2 Ų234.8 Ų34.81%0.01417%0.174CC..BIsolated β-bridgetrans-82.7163.8-179.858.50000113.4G132 L141 S142 M143 D165G132-S139 WeakPolarHBondContact O-CA 3.32Å; S139-L141 VanDerWaalsContact C-N 3.28Å; S139-L141 PolarHBondContact O-N 3.31Å; S139-S142 PolarHBondContact N-OG 2.74Å; S139-S142 VanDerWaalsContact N-OG 3.14Å; S139-S142 PolarHBondContact O-N 3.1Å; S139-S142 VanDerWaalsContact O-N 3.14Å; S139-S142 PolarHBondContact O-OG 2.92Å; S139-S142 PolarHBondContact OG-N 3.26Å; S139-M143 PolarHBondContact O-N 2.87Å; S139-D165 WeakPolarHBondContact CB-OD2 3.44Å; S139-D165 PolarHBondContact OG-OD2 3.03Å
140V91.5Very high89.1Confident0 Ų033.3 Ų33.30%017%0.17CC..Hα-helixtrans-54.1-43.7174.1-171.90000111.8L108 M109 A112 I130 G132 S142 M143 A144 L156L108-V140 HydrophobicContact CD2-CG1 3.97Å; L108-V140 HydrophobicContact CD2-CG2 4.2Å; L108-V140 HydrophobicContact CG-CG1 3.78Å; M109-V140 HydrophobicContact CE-CG2 4.32Å; M109-V140 HydrophobicContact CG-CG2 3.95Å; A112-V140 HydrophobicContact CB-CG1 3.8Å; I130-V140 WeakPolarHBondContact O-CB 3.36Å; I130-V140 VanDerWaalsContact O-CG2 3.26Å; I130-V140 WeakPolarHBondContact O-CG2 3.37Å; G132-V140 PolarHBondContact O-N 3.3Å; V140-S142 VanDerWaalsContact C-N 3.35Å; V140-S142 PolarHBondContact O-N 3.03Å; V140-M143 WeakPolarHBondContact O-CB 3.2Å; V140-M143 PolarHBondContact O-N 3.04Å; V140-M143 VanDerWaalsContact O-N 3.08Å; V140-A144 PolarHBondContact O-N 3.28Å; V140-A144 VanDerWaalsContact O-N 3.1Å; V140-L156 HydrophobicContact CG1-CD1 3.84Å; V140-L156 HydrophobicContact CG1-CD2 3.76Å; V140-L156 HydrophobicContact CG1-CG 4.5Å
141L92.6Very high89.2Confident2 Ų238.7 Ų38.71%0.0119%0.194CC..Hα-helixtrans-60.7-43178-171.667.7000111.6S139 M143 A144 A145 V153 L156 L157 A161 Y162 A210 L226S139-L141 VanDerWaalsContact C-N 3.28Å; S139-L141 PolarHBondContact O-N 3.31Å; L141-M143 PolarHBondContact O-N 3.07Å; L141-A144 PolarHBondContact O-N 3.47Å; L141-A145 VanDerWaalsContact O-CB 3.32Å; L141-A145 WeakPolarHBondContact O-CB 3.43Å; L141-A145 PolarHBondContact O-N 3.4Å; L141-V153 HydrophobicContact CD1-CG1 3.95Å; L141-L156 HydrophobicContact CD1-CB 3.97Å; L141-L156 HydrophobicContact CD1-CD1 4.3Å; L141-L157 HydrophobicContact CD1-CD2 4.22Å; L141-L157 HydrophobicContact CD1-CG 4.06Å; L141-L157 HydrophobicContact CD2-CD2 3.98Å; L141-A161 HydrophobicContact CB-CB 4.49Å; L141-Y162 WeakPolarHBondContact CD2-O 3.02Å; L141-A210 HydrophobicContact CD2-CB 4.01Å; L141-A210 HydrophobicContact CG-CB 3.9Å; L141-L226 HydrophobicContact CD1-CD2 4.48Å; L141-L226 HydrophobicContact CD2-CD2 3.97Å; L141-L226 HydrophobicContact CG-CD2 4.33Å
142S90.2Very high89.5Confident1 Ų137 Ų371%0.00719%0.185CC..Hα-helixtrans-62.7-28.5175.878.60000113S139 V140 R146S139-S142 PolarHBondContact N-OG 2.74Å; S139-S142 VanDerWaalsContact N-OG 3.14Å; S139-S142 PolarHBondContact O-N 3.1Å; S139-S142 VanDerWaalsContact O-N 3.14Å; S139-S142 PolarHBondContact O-OG 2.92Å; S139-S142 PolarHBondContact OG-N 3.26Å; V140-S142 VanDerWaalsContact C-N 3.35Å; V140-S142 PolarHBondContact O-N 3.03Å; S142-R146 WeakPolarHBondContact O-CB 3.49Å; S142-R146 PolarHBondContact O-N 3.2Å
143M91.9Very high89.9Confident7 Ų737 Ų373%0.03419%0.185CC..Hα-helixtrans-75.5-41.1175.2-67.4-56.498.300112.5W105 A112 R113 A138 S139 V140 L141 A145 R146 G147W105-M143 HydrophobicContact CH2-CG 4.17Å; W105-M143 HydrophobicContact CH2-SD 3.3Å; W105-M143 WeakPolarHBondContact CH2-SD 3.44Å; W105-M143 HydrophobicContact CZ2-SD 4.02Å; W105-M143 HydrophobicContact CZ3-CG 4.13Å; W105-M143 HydrophobicContact CZ3-SD 3.86Å; A112-M143 HydrophobicContact CB-CB 4.41Å; R113-M143 HydrophobicContact CB-CB 4.39Å; A138-M143 HydrophobicContact CB-CE 3.71Å; S139-M143 PolarHBondContact O-N 2.87Å; V140-M143 WeakPolarHBondContact O-CB 3.2Å; V140-M143 PolarHBondContact O-N 3.04Å; V140-M143 VanDerWaalsContact O-N 3.08Å; L141-M143 PolarHBondContact O-N 3.07Å; M143-A145 VanDerWaalsContact C-N 3.34Å; M143-R146 WeakPolarHBondContact O-CB 3.14Å; M143-R146 PolarHBondContact O-N 3.39Å; M143-G147 PolarHBondContact O-N 3.42Å
144A93.9Very high90.3Very high0 Ų038.7 Ų38.70%019%0.194CC..Hα-helixtrans-62.9-41.317200000111.8A112 V140 L141 R146 G147 G148 H149 V152 V153 L156A112-A144 HydrophobicContact CB-CB 4.15Å; A112-A144 WeakPolarHBondContact O-CA 3.24Å; V140-A144 PolarHBondContact O-N 3.28Å; V140-A144 VanDerWaalsContact O-N 3.1Å; L141-A144 PolarHBondContact O-N 3.47Å; A144-R146 VanDerWaalsContact C-N 3.3Å; A144-R146 PolarHBondContact O-N 2.98Å; A144-G147 PolarHBondContact O-N 3.48Å; A144-G148 PolarHBondContact O-N 3.25Å; A144-H149 PolarHBondContact O-N 3.26Å; A144-H149 VanDerWaalsContact O-N 3.08Å; A144-V152 HydrophobicContact CB-CB 4.34Å; A144-V152 HydrophobicContact CB-CG1 4.24Å; A144-V153 HydrophobicContact CB-CG2 3.64Å; A144-L156 HydrophobicContact CB-CD1 3.77Å
145A92.8Very high90.7Very high0 Ų039.4 Ų39.40%020%0.198CC..Hα-helixtrans-61.4-35.8173.200000112.5L141 M143 G148 A210 A214 H219 L226L141-A145 VanDerWaalsContact O-CB 3.32Å; L141-A145 WeakPolarHBondContact O-CB 3.43Å; L141-A145 PolarHBondContact O-N 3.4Å; M143-A145 VanDerWaalsContact C-N 3.34Å; A145-G148 PolarHBondContact O-N 3.44Å; A145-A210 HydrophobicContact CB-CB 3.96Å; A145-A210 WeakPolarHBondContact CB-O 3.28Å; A145-A214 HydrophobicContact CB-CB 4.2Å; A145-H219 PolarHBondContact O-CD2 2.92Å; A145-L226 HydrophobicContact CB-CD1 4.28Å
146R91Very high91.1Very high117 Ų11732.7 Ų32.744%0.44217%0.172SC..Hα-helixtrans-65.2-41.5176.8-159.2179.1-174.1175.10.7113.8S142 M143 A144 G148 V213 H217 H219S142-R146 WeakPolarHBondContact O-CB 3.49Å; S142-R146 PolarHBondContact O-N 3.2Å; M143-R146 WeakPolarHBondContact O-CB 3.14Å; M143-R146 PolarHBondContact O-N 3.39Å; A144-R146 VanDerWaalsContact C-N 3.3Å; A144-R146 PolarHBondContact O-N 2.98Å; R146-G148 VanDerWaalsContact C-N 3.31Å; R146-V213 HydrophobicContact CB-CG1 3.56Å; R146-V213 HydrophobicContact CG-CG1 3.73Å; R146-H217 WeakPolarHBondContact CG-NE2 3.41Å; R146-H217 PolarHBondContact NE-NE2 3.31Å; R146-H219 PolarHBondContact O-CD2 3.21Å; R146-H219 PolarHBondContact O-NE2 2.95Å
147G87.1Confident91.6Very high27 Ų2727.2 Ų27.228%0.27814%0.144SC..Hα-helixtrans-77.6-17.3174.800000113.6M143 A144 H149 H219M143-G147 PolarHBondContact O-N 3.42Å; A144-G147 PolarHBondContact O-N 3.48Å; G147-H149 VanDerWaalsContact CA-CD2 3.49Å; G147-H149 WeakPolarHBondContact CA-CD2 3.33Å; G147-H149 WeakPolarHBondContact CA-NE2 3.39Å; G147-H219 PolarHBondContact O-CE1 3.26Å
148G90.7Very high92.2Very high17 Ų1732.1 Ų32.118%0.17516%0.162CC..THydrogen-bonded Turntrans78.121.7-176.500000113.1A144 A145 R146 V150 H219A144-G148 PolarHBondContact O-N 3.25Å; A145-G148 PolarHBondContact O-N 3.44Å; R146-G148 VanDerWaalsContact C-N 3.31Å; G148-V150 VanDerWaalsContact C-N 3.3Å; G148-V150 PolarHBondContact O-N 2.92Å; G148-H219 VanDerWaalsContact CA-CD2 3.48Å; G148-H219 WeakPolarHBondContact CA-CD2 3.38Å; G148-H219 PolarHBondContact N-CD2 2.84Å; G148-H219 PolarHBondContact N-NE2 3.43Å
149H94.5Very high92.3Very high55 Ų5533.5 Ų33.526%0.25518%0.178SC..  trans-82.373.3-169.5-60.4-60.9000111.3A112 R113 F114 G115 A144 G147 H151 V152 V153A112-H149 PolarHBondContact O-CD2 3.48Å; R113-H149 PolarHBondContact O-NE2 3.25Å; F114-H149 VanDerWaalsContact C-NE2 3.29Å; F114-H149 PolarHBondContact O-CE1 3.48Å; F114-H149 PolarHBondContact O-NE2 2.83Å; G115-H149 VanDerWaalsContact CA-CD2 3.4Å; G115-H149 WeakPolarHBondContact CA-CD2 3.48Å; G115-H149 WeakPolarHBondContact CA-ND1 3.04Å; G115-H149 PolarHBondContact N-CD2 3.09Å; G115-H149 PolarHBondContact N-NE2 2.93Å; A144-H149 PolarHBondContact O-N 3.26Å; A144-H149 VanDerWaalsContact O-N 3.08Å; G147-H149 VanDerWaalsContact CA-CD2 3.49Å; G147-H149 WeakPolarHBondContact CA-CD2 3.33Å; G147-H149 WeakPolarHBondContact CA-NE2 3.39Å; H149-H151 PolarHBondContact O-N 3.22Å; H149-V152 HydrophobicContact CB-CB 4.19Å; H149-V152 HydrophobicContact CB-CG2 4.07Å; H149-V152 WeakPolarHBondContact O-CA 3.47Å; H149-V152 PolarHBondContact O-N 2.87Å; H149-V153 PolarHBondContact O-N 3.5Å
150V94.2Very high92.1Very high45 Ų4535.5 Ų35.527%0.27320%0.199SC..Hα-helixtrans-45.9-42.9-172.8-1700000113.5G148 V152 V153 K154 A221 L225G148-V150 VanDerWaalsContact C-N 3.3Å; G148-V150 PolarHBondContact O-N 2.92Å; V150-V152 VanDerWaalsContact C-N 3.34Å; V150-V152 PolarHBondContact O-N 3.25Å; V150-V153 PolarHBondContact O-N 3.18Å; V150-K154 VanDerWaalsContact O-CB 3.3Å; V150-K154 WeakPolarHBondContact O-CB 3.33Å; V150-K154 PolarHBondContact O-N 3.08Å; V150-A221 HydrophobicContact CG2-CB 3.67Å; V150-L225 HydrophobicContact CG1-CD2 4Å
151H95.1Very high92Very high140 Ų14035.9 Ų35.965%0.64820%0.203SC*.Hα-helixtrans-65-35.5178.3-57.4107.4000113.1L117 H149 L155L117-H151 HydrophobicContact CD1-CB 3.97Å; L117-H151 WeakPolarHBondContact CD1-O 3.31Å; L117-H151 HydrophobicContact CD2-CB 3.96Å; L117-H151 HydrophobicContact CG-CB 4.49Å; H149-H151 PolarHBondContact O-N 3.22Å; H151-L155 WeakPolarHBondContact O-CB 3.09Å; H151-L155 PolarHBondContact O-N 3.01Å
152V94.4Very high91.7Very high1 Ų140.4 Ų40.41%0.00622%0.22CC..Hα-helixtrans-77.8-39.4176.5-169.80000110.7A112 L117 A120 A144 H149 V150 K154 L155 L156A112-V152 HydrophobicContact CB-CG1 4.38Å; L117-V152 HydrophobicContact CB-CG2 4.18Å; L117-V152 HydrophobicContact CD1-CG2 4.07Å; A120-V152 HydrophobicContact CB-CG1 4.08Å; A144-V152 HydrophobicContact CB-CB 4.34Å; A144-V152 HydrophobicContact CB-CG1 4.24Å; H149-V152 HydrophobicContact CB-CB 4.19Å; H149-V152 HydrophobicContact CB-CG2 4.07Å; H149-V152 WeakPolarHBondContact O-CA 3.47Å; H149-V152 PolarHBondContact O-N 2.87Å; V150-V152 VanDerWaalsContact C-N 3.34Å; V150-V152 PolarHBondContact O-N 3.25Å; V152-K154 VanDerWaalsContact C-N 3.27Å; V152-K154 PolarHBondContact O-N 2.92Å; V152-L155 PolarHBondContact O-N 3.31Å; V152-L156 HydrophobicContact CG1-CD1 4.09Å; V152-L156 HydrophobicContact CG1-CG 4.32Å; V152-L156 WeakPolarHBondContact O-CB 3.21Å; V152-L156 WeakPolarHBondContact O-CG 3.43Å; V152-L156 PolarHBondContact O-N 2.84Å
153V94.6Very high91.3Very high0 Ų041.6 Ų41.60%023%0.227CC..Hα-helixtrans-55.1-46.9169.9177.70000109.7L141 A144 H149 V150 L156 L157 L225 L226L141-V153 HydrophobicContact CD1-CG1 3.95Å; A144-V153 HydrophobicContact CB-CG2 3.64Å; H149-V153 PolarHBondContact O-N 3.5Å; V150-V153 PolarHBondContact O-N 3.18Å; V153-L156 PolarHBondContact O-N 3.19Å; V153-L157 HydrophobicContact CG1-CD1 3.89Å; V153-L157 WeakPolarHBondContact O-CB 3.27Å; V153-L157 VanDerWaalsContact O-CG 3.23Å; V153-L157 WeakPolarHBondContact O-CG 3.3Å; V153-L157 PolarHBondContact O-N 2.73Å; V153-L225 HydrophobicContact CB-CD2 4.16Å; V153-L225 HydrophobicContact CG1-CD2 3.83Å; V153-L226 HydrophobicContact CG1-CD2 4.09Å; V153-L226 HydrophobicContact CG1-CG 4.24Å
154K94.5Very high90.7Very high93 Ų9343.1 Ų43.140%0.40424%0.236SC..Hα-helixtrans-60.9-50.6176.3-177.9171.4170.5170.80112.5V150 V152 L156 L157 E158 L225V150-K154 VanDerWaalsContact O-CB 3.3Å; V150-K154 WeakPolarHBondContact O-CB 3.33Å; V150-K154 PolarHBondContact O-N 3.08Å; V152-K154 VanDerWaalsContact C-N 3.27Å; V152-K154 PolarHBondContact O-N 2.92Å; K154-L156 VanDerWaalsContact C-N 3.27Å; K154-L156 PolarHBondContact O-N 3.16Å; K154-L157 PolarHBondContact O-N 3.49Å; K154-E158 WeakPolarHBondContact CE-OE1 3.17Å; K154-E158 WeakPolarHBondContact CE-OE2 3.39Å; K154-E158 HydrophobicContact CG-CG 4.28Å; K154-E158 IonicContact NZ-OE1 2.78Å; K154-E158 PolarHBondContact NZ-OE1 2.79Å; K154-E158 WeakPolarHBondContact O-CB 3.26Å; K154-E158 WeakPolarHBondContact O-CG 3.25Å; K154-E158 PolarHBondContact O-N 2.73Å; K154-L225 HydrophobicContact CB-CD2 3.77Å
155L94.8Very high89.3Confident25 Ų2543.6 Ų43.613%0.13124%0.238CC..Hα-helixtrans-60.2-35.7178.3166.7146.7000112.5L117 A120 H121 L124 H151 V152 G159L117-L155 HydrophobicContact CD1-CB 3.95Å; L117-L155 HydrophobicContact CD1-CD1 3.81Å; L117-L155 HydrophobicContact CD1-CG 4.42Å; A120-L155 HydrophobicContact CB-CD2 4.14Å; H121-L155 HydrophobicContact CB-CD1 3.87Å; L124-L155 HydrophobicContact CD1-CD2 3.63Å; L124-L155 HydrophobicContact CD1-CG 4.44Å; H151-L155 WeakPolarHBondContact O-CB 3.09Å; H151-L155 PolarHBondContact O-N 3.01Å; V152-L155 PolarHBondContact O-N 3.31Å; L155-G159 PolarHBondContact O-N 3.04Å
156L93.1Very high87.7Confident0 Ų046.3 Ų46.30%025%0.25CS..Hα-helixtrans-68.9-44.1175.3-70.1167.9000111.4I130 V140 L141 A144 V152 V153 K154 G159 G160 A161I130-L156 HydrophobicContact CD1-CD2 4.17Å; I130-L156 WeakPolarHBondContact CD1-O 3.14Å; I130-L156 HydrophobicContact CG1-CD2 3.7Å; V140-L156 HydrophobicContact CG1-CD1 3.84Å; V140-L156 HydrophobicContact CG1-CD2 3.76Å; V140-L156 HydrophobicContact CG1-CG 4.5Å; L141-L156 HydrophobicContact CD1-CB 3.97Å; L141-L156 HydrophobicContact CD1-CD1 4.3Å; A144-L156 HydrophobicContact CB-CD1 3.77Å; V152-L156 HydrophobicContact CG1-CD1 4.09Å; V152-L156 HydrophobicContact CG1-CG 4.32Å; V152-L156 WeakPolarHBondContact O-CB 3.21Å; V152-L156 WeakPolarHBondContact O-CG 3.43Å; V152-L156 PolarHBondContact O-N 2.84Å; V153-L156 PolarHBondContact O-N 3.19Å; K154-L156 VanDerWaalsContact C-N 3.27Å; K154-L156 PolarHBondContact O-N 3.16Å; L156-G159 CarbonylContact O-C 3.5Å; L156-G159 WeakPolarHBondContact O-CA 3.38Å; L156-G159 PolarHBondContact O-N 3.2Å; L156-G160 PolarHBondContact O-N 3.37Å; L156-A161 HydrophobicContact CB-CB 3.92Å; L156-A161 WeakPolarHBondContact O-CB 3.22Å; L156-A161 PolarHBondContact O-N 3.06Å
157L91.9Very high85.6Confident5 Ų547 Ų473%0.02626%0.262CS..Hα-helixtrans-64-46177-70.2169.4000112.2L141 V153 K154 G159 G160 V163 L225 L226 W229L141-L157 HydrophobicContact CD1-CD2 4.22Å; L141-L157 HydrophobicContact CD1-CG 4.06Å; L141-L157 HydrophobicContact CD2-CD2 3.98Å; V153-L157 HydrophobicContact CG1-CD1 3.89Å; V153-L157 WeakPolarHBondContact O-CB 3.27Å; V153-L157 VanDerWaalsContact O-CG 3.23Å; V153-L157 WeakPolarHBondContact O-CG 3.3Å; V153-L157 PolarHBondContact O-N 2.73Å; K154-L157 PolarHBondContact O-N 3.49Å; L157-G159 PolarHBondContact O-N 2.9Å; L157-G160 PolarHBondContact O-N 3.23Å; L157-V163 HydrophobicContact CD2-CG2 3.61Å; L157-L225 HydrophobicContact CD1-CD2 4.23Å; L157-L225 HydrophobicContact CD1-CG 4.06Å; L157-L226 HydrophobicContact CD1-CD2 4.38Å; L157-W229 HydrophobicContact CB-CD2 3.83Å; L157-W229 HydrophobicContact CB-CE3 3.79Å; L157-W229 HydrophobicContact CB-CG 4.49Å; L157-W229 HydrophobicContact CB-CH2 4.05Å; L157-W229 HydrophobicContact CB-CZ2 4.1Å; L157-W229 HydrophobicContact CB-CZ3 3.9Å; L157-W229 HydrophobicContact CD1-CB 4.24Å; L157-W229 HydrophobicContact CD1-CD2 4.05Å; L157-W229 HydrophobicContact CD1-CG 3.83Å; L157-W229 HydrophobicContact CD2-CB 4.41Å; L157-W229 HydrophobicContact CD2-CD2 4.37Å; L157-W229 HydrophobicContact CD2-CE3 4.25Å; L157-W229 HydrophobicContact CD2-CG 4.47Å; L157-W229 HydrophobicContact CG-CD2 4.31Å; L157-W229 HydrophobicContact CG-CE3 4.46Å; L157-W229 HydrophobicContact CG-CG 4.5Å; L157-W229 WeakPolarHBondContact O-CZ3 3.34Å
158E92.4Very high83.6Confident120 Ų12050.4 Ų50.456%0.56127%0.271SS*.Hα-helixtrans-63.1-27.3173.2-70.9178.4145.700112.4K154 G160 W229K154-E158 WeakPolarHBondContact CE-OE1 3.17Å; K154-E158 WeakPolarHBondContact CE-OE2 3.39Å; K154-E158 HydrophobicContact CG-CG 4.28Å; K154-E158 IonicContact NZ-OE1 2.78Å; K154-E158 PolarHBondContact NZ-OE1 2.79Å; K154-E158 WeakPolarHBondContact O-CB 3.26Å; K154-E158 WeakPolarHBondContact O-CG 3.25Å; K154-E158 PolarHBondContact O-N 2.73Å; E158-G160 VanDerWaalsContact C-N 3.33Å; E158-W229 HydrophobicContact CG-CH2 3.98Å; E158-W229 HydrophobicContact CG-CZ2 3.96Å
159G87.6Confident81.5Confident46 Ų4651.2 Ų51.247%0.47427%0.271SS..THydrogen-bonded Turntrans-80.9-0.1172.300000115.6I130 L155 L156 L157I130-G159 WeakPolarHBondContact CD1-O 3.48Å; L155-G159 PolarHBondContact O-N 3.04Å; L156-G159 CarbonylContact O-C 3.5Å; L156-G159 WeakPolarHBondContact O-CA 3.38Å; L156-G159 PolarHBondContact O-N 3.2Å; L157-G159 PolarHBondContact O-N 2.9Å
160G86.4Confident78.8Confident45 Ų4551.2 Ų51.246%0.46428%0.281SS..THydrogen-bonded Turntrans85.826.918000000115.2N131 L156 L157 E158N131-G160 PolarHBondContact ND2-O 3.06Å; L156-G160 PolarHBondContact O-N 3.37Å; L157-G160 PolarHBondContact O-N 3.23Å; E158-G160 VanDerWaalsContact C-N 3.33Å
161A88.4Confident76.2Confident8 Ų853.3 Ų53.37%0.06629%0.289CS..  trans-65.6139.6168.100000111.2I130 N131 L141 L156 V163I130-A161 HydrophobicContact CD1-CB 4.21Å; I130-A161 HydrophobicContact CG1-CB 4.16Å; N131-A161 VanDerWaalsContact OD1-CA 3.27Å; N131-A161 WeakPolarHBondContact OD1-CA 3.45Å; L141-A161 HydrophobicContact CB-CB 4.49Å; L156-A161 HydrophobicContact CB-CB 3.92Å; L156-A161 WeakPolarHBondContact O-CB 3.22Å; L156-A161 PolarHBondContact O-N 3.06Å; A161-V163 PolarHBondContact O-N 3.46Å
162Y85.9Confident73.5Confident96 Ų9649.1 Ų49.138%0.37628%0.278SS..  trans-67.4121.4176.5-56.8-50.2000110.6N131 L141 H168N131-Y162 HydrophobicContact CB-CD2 3.82Å; N131-Y162 HydrophobicContact CB-CE2 3.71Å; N131-Y162 VanDerWaalsContact ND2-CE2 3.32Å; N131-Y162 WeakPolarHBondContact ND2-CE2 3.47Å; N131-Y162 WeakPolarHBondContact OD1-CD2 3.43Å; N131-Y162 PolarHBondContact OD1-N 2.81Å; L141-Y162 WeakPolarHBondContact CD2-O 3.02Å; Y162-H168 AromaticContact CD2-CD2 3.71Å; Y162-H168 AromaticContact CE2-CD2 3.38Å; Y162-H168 WeakPolarHBondContact CE2-CD2 3.3Å; Y162-H168 AromaticContact CZ-CD2 3.84Å
163V82.8Confident71Confident26 Ų2653.7 Ų53.716%0.15831%0.306CS..SBendtrans-61.5-47.6177.3179.10000110.4L157 A161 W229 S231L157-V163 HydrophobicContact CD2-CG2 3.61Å; A161-V163 PolarHBondContact O-N 3.46Å; V163-W229 HydrophobicContact CG2-CB 4.02Å; V163-S231 VanDerWaalsContact CG1-CB 3.46Å
164D79.1Confident68Low39 Ų3959.4 Ų59.421%0.20933%0.333CS..SBendtrans-120.5126.2177.7-69.3-31.6000110F166 S231 D232D164-F166 VanDerWaalsContact C-N 3.27Å; D164-F166 HydrophobicContact CB-CD2 3.79Å; D164-F166 HydrophobicContact CB-CE2 3.53Å; D164-F166 HydrophobicContact CB-CG 4.46Å; D164-F166 HydrophobicContact CB-CZ 3.98Å; D164-F166 PolarHBondContact O-N 3.35Å; D164-S231 WeakPolarHBondContact OD1-CA 3.38Å; D164-S231 WeakPolarHBondContact OD1-CB 3.21Å; D164-S231 PolarHBondContact OD1-OG 3.06Å; D164-S231 WeakPolarHBondContact OD2-CA 3.45Å; D164-D232 PolarHBondContact OD1-N 2.9Å; D164-D232 PolarHBondContact OD2-N 3.13Å
165D64.7Low65.4Low11 Ų1159.9 Ų59.96%0.05934%0.344CS..  trans-83.812.8-167.9-96.1-62.3000114R133 S139R133-D165 IonicContact CZ-OD1 2.72Å; R133-D165 VanDerWaalsContact CZ-OD1 3.25Å; R133-D165 IonicContact NE-OD1 2.76Å; R133-D165 PolarHBondContact NE-OD1 3.03Å; R133-D165 VanDerWaalsContact NE-OD1 3.11Å; R133-D165 VanDerWaalsContact NH2-CB 3.32Å; R133-D165 PolarHBondContact NH2-O 3.2Å; R133-D165 IonicContact NH2-OD1 3.18Å; R133-D165 PolarHBondContact NH2-OD1 3.32Å; S139-D165 WeakPolarHBondContact CB-OD2 3.44Å; S139-D165 PolarHBondContact OG-OD2 3.03Å
166F58.7Low63.1Low56 Ų5665.6 Ų65.625%0.24637%0.373CS..  trans-71.9-50.6-162.9-49.5-41.6000115.4D164 H168 L169 T209 D232 F235D164-F166 VanDerWaalsContact C-N 3.27Å; D164-F166 HydrophobicContact CB-CD2 3.79Å; D164-F166 HydrophobicContact CB-CE2 3.53Å; D164-F166 HydrophobicContact CB-CG 4.46Å; D164-F166 HydrophobicContact CB-CZ 3.98Å; D164-F166 PolarHBondContact O-N 3.35Å; F166-H168 PolarHBondContact O-N 3.27Å; F166-H168 VanDerWaalsContact O-N 3.17Å; F166-L169 WeakPolarHBondContact O-CB 3.38Å; F166-L169 PolarHBondContact O-N 2.89Å; F166-T209 HydrophobicContact CE1-CG2 3.38Å; F166-T209 HydrophobicContact CZ-CG2 3.47Å; F166-T209 VanDerWaalsContact CZ-CG2 3.47Å; F166-D232 HydrophobicContact CE2-CB 3.92Å; F166-D232 HydrophobicContact CZ-CB 4.37Å; F166-F235 AromaticContact CD1-CD2 3.98Å; F166-F235 HydrophobicContact CD1-CD2 3.98Å; F166-F235 AromaticContact CD1-CE2 3.82Å; F166-F235 HydrophobicContact CD1-CE2 3.82Å; F166-F235 HydrophobicContact CE1-CB 4.46Å; F166-F235 HydrophobicContact CE1-CD1 4.14Å; F166-F235 AromaticContact CE1-CD2 3.12Å; F166-F235 HydrophobicContact CE1-CD2 3.12Å; F166-F235 HydrophobicContact CE1-CE1 4.24Å; F166-F235 AromaticContact CE1-CE2 3.26Å; F166-F235 HydrophobicContact CE1-CE2 3.26Å; F166-F235 AromaticContact CE1-CG 3.61Å; F166-F235 HydrophobicContact CE1-CG 3.61Å; F166-F235 AromaticContact CE1-CZ 3.85Å; F166-F235 HydrophobicContact CE1-CZ 3.85Å; F166-F235 AromaticContact CE2-CD2 3.96Å; F166-F235 HydrophobicContact CE2-CD2 3.96Å; F166-F235 HydrophobicContact CE2-CG 4.42Å; F166-F235 HydrophobicContact CZ-CB 3.75Å; F166-F235 HydrophobicContact CZ-CD1 4.23Å; F166-F235 AromaticContact CZ-CD2 3.12Å; F166-F235 HydrophobicContact CZ-CD2 3.12Å; F166-F235 AromaticContact CZ-CE2 3.82Å; F166-F235 HydrophobicContact CZ-CE2 3.82Å; F166-F235 AromaticContact CZ-CG 3.39Å; F166-F235 HydrophobicContact CZ-CG 3.39Å
167D46.8Very low60.4Low131 Ų13170.3 Ų70.370%0.70141%0.406SS*.Hα-helixtrans-61.8-33.8-168.7-63.9-28000112.6L169 A170 M171D167-L169 VanDerWaalsContact C-N 3.32Å; D167-L169 PolarHBondContact O-N 2.68Å; D167-A170 PolarHBondContact O-N 3.03Å; D167-M171 PolarHBondContact O-N 3.31Å
168H45.9Very low57.4Low99 Ų9977 Ų7746%0.45844%0.442SS..Hα-helixtrans-76.8-14.1177.9-65.7-67.9000114.1Y162 F166 A172Y162-H168 AromaticContact CD2-CD2 3.71Å; Y162-H168 AromaticContact CE2-CD2 3.38Å; Y162-H168 WeakPolarHBondContact CE2-CD2 3.3Å; Y162-H168 AromaticContact CZ-CD2 3.84Å; F166-H168 PolarHBondContact O-N 3.27Å; F166-H168 VanDerWaalsContact O-N 3.17Å; H168-A172 WeakPolarHBondContact O-CB 3.41Å; H168-A172 PolarHBondContact O-N 2.91Å; H168-A172 VanDerWaalsContact O-N 3.09Å
169L45.2Very low55Low34 Ų3474.8 Ų74.818%0.17845%0.451CS..Hα-helixtrans-72-34.1169.2-72.9155.9000111.5F166 D167 V173 F205 D207F166-L169 WeakPolarHBondContact O-CB 3.38Å; F166-L169 PolarHBondContact O-N 2.89Å; D167-L169 VanDerWaalsContact C-N 3.32Å; D167-L169 PolarHBondContact O-N 2.68Å; L169-V173 WeakPolarHBondContact O-CG2 3.45Å; L169-F205 HydrophobicContact CD2-CB 4.4Å; L169-D207 WeakPolarHBondContact CD1-OD1 3.35Å
170A38.8Very low52.2Low56 Ų5680.4 Ų80.446%0.46347%0.47SS..Hα-helixtrans-72.3-52.1173.400000111.2D167 A172 V173 E174D167-A170 PolarHBondContact O-N 3.03Å; A170-A172 VanDerWaalsContact C-N 3.29Å; A170-A172 PolarHBondContact O-N 2.64Å; A170-V173 PolarHBondContact O-N 3.01Å; A170-E174 PolarHBondContact O-N 3.46Å; A170-E174 VanDerWaalsContact O-N 3.09Å
171M38.4Very low49.9Very low89 Ų8985.2 Ų85.244%0.43849%0.485SS..Hα-helixtrans-61-34.4-178.4-69.2-72.4104.200113.2D167 V173 E174 T175D167-M171 PolarHBondContact O-N 3.31Å; M171-V173 VanDerWaalsContact C-N 3.26Å; M171-V173 PolarHBondContact O-N 3.04Å; M171-E174 WeakPolarHBondContact CE-OE2 3.38Å; M171-E174 PolarHBondContact O-N 2.93Å; M171-T175 WeakPolarHBondContact O-CB 3.47Å; M171-T175 WeakPolarHBondContact O-CG2 3.21Å; M171-T175 PolarHBondContact O-N 3.27Å; M171-T175 PolarHBondContact O-OG1 3.23Å
172A40Very low47.6Very low52 Ų5291.8 Ų91.843%0.4352%0.519SS..Hα-helixtrans-69-20.1175.500000114.1H168 A170 I176H168-A172 WeakPolarHBondContact O-CB 3.41Å; H168-A172 PolarHBondContact O-N 2.91Å; H168-A172 VanDerWaalsContact O-N 3.09Å; A170-A172 VanDerWaalsContact C-N 3.29Å; A170-A172 PolarHBondContact O-N 2.64Å; A172-I176 VanDerWaalsContact O-CD1 3.29Å; A172-I176 WeakPolarHBondContact O-CD1 3.44Å; A172-I176 WeakPolarHBondContact O-CG1 3.28Å
173V41.6Very low45.1Very low96 Ų9694.6 Ų94.658%0.58254%0.541SS*.Hα-helixtrans-86.9-42.8173.5173.90000110.6L169 A170 M171 T175 I176 S177L169-V173 WeakPolarHBondContact O-CG2 3.45Å; A170-V173 PolarHBondContact O-N 3.01Å; M171-V173 VanDerWaalsContact C-N 3.26Å; M171-V173 PolarHBondContact O-N 3.04Å; V173-T175 PolarHBondContact O-N 3.3Å; V173-I176 PolarHBondContact O-N 3.41Å; V173-S177 PolarHBondContact O-N 3.06Å
174E31Very low42.8Very low120 Ų12099 Ų9956%0.56157%0.573SS**Hα-helixtrans-66.4-37.9179-67.5-165.9158.500112.7A170 M171 I176 S177 N178A170-E174 PolarHBondContact O-N 3.46Å; A170-E174 VanDerWaalsContact O-N 3.09Å; M171-E174 WeakPolarHBondContact CE-OE2 3.38Å; M171-E174 PolarHBondContact O-N 2.93Å; E174-I176 PolarHBondContact O-N 3.19Å; E174-S177 PolarHBondContact O-N 2.98Å; E174-N178 PolarHBondContact O-N 3.34Å
175T39.4Very low40.4Very low104 Ų104102.1 Ų102.164%0.63860%0.596SS**Hα-helixtrans-66.6-14.9175.646.90000114.4M171 V173M171-T175 WeakPolarHBondContact O-CB 3.47Å; M171-T175 WeakPolarHBondContact O-CG2 3.21Å; M171-T175 PolarHBondContact O-N 3.27Å; M171-T175 PolarHBondContact O-OG1 3.23Å; V173-T175 PolarHBondContact O-N 3.3Å
176I46.1Very low38.7Very low144 Ų144107.6 Ų107.674%0.73864%0.636SS**Hα-helixtrans-84.1-26.1170.3-65.1171.3000111.2A172 V173 E174A172-I176 VanDerWaalsContact O-CD1 3.29Å; A172-I176 WeakPolarHBondContact O-CD1 3.44Å; A172-I176 WeakPolarHBondContact O-CG1 3.28Å; V173-I176 PolarHBondContact O-N 3.41Å; E174-I176 PolarHBondContact O-N 3.19Å
177S37Very low37.4Very low99 Ų99111.1 Ų111.169%0.69266%0.662SS**Hα-helixtrans-88.8-38179.4-66.20000113.3V173 E174 G179V173-S177 PolarHBondContact O-N 3.06Å; E174-S177 PolarHBondContact O-N 2.98Å; S177-G179 PolarHBondContact O-N 2.97Å; S177-G179 VanDerWaalsContact O-N 3.14Å
178N29.7Very low36.5Very low146 Ų146109.2 Ų109.278%0.78167%0.665SS**SBendtrans-89.975.4-176.4-11520.9000112.2E174 N180E174-N178 PolarHBondContact O-N 3.34Å; N178-N180 PolarHBondContact O-N 2.8Å
179G40.6Very low35.5Very low74 Ų74108.1 Ų108.176%0.76368%0.68SS**  trans-6697.917600000113.2S177S177-G179 PolarHBondContact O-N 2.97Å; S177-G179 VanDerWaalsContact O-N 3.14Å
180N30.1Very low34.8Very low163 Ų163115.8 Ų115.887%0.87271%0.712SS**  trans-145129.3161.9-118.4-28.4000110.4N178N178-N180 PolarHBondContact O-N 2.8Å
181N38.4Very low34.2Very low147 Ų147116.1 Ų116.179%0.78672%0.721SS**  trans-81.8165.8-170.5-74.1-45000113.4
182N38.9Very low33.8Very low146 Ų146118.3 Ų118.378%0.78174%0.742SS**  trans88.873.4165.8-46.9-30.8000117.1
183N34.1Very low33.2Very low155 Ų155120.6 Ų120.683%0.82976%0.761SS**  -172.1115.8110.9-93-25.1000114
184S34.7Very low32.5Very low119 Ų119125.6 Ų125.683%0.83278%0.778SS**  trans47.973.2137.8-50.80000120.4
185C28.7Very low32.5Very low103 Ų103122.9 Ų122.970%0.69678%0.782SS**  trans-133.1144.3136.1750000109.7T187C185-T187 PolarHBondContact O-N 3.27Å
186S28.9Very low31.9Very low127 Ų127128.8 Ų128.889%0.88879%0.794SS**  trans-85.572.2-162.3-61.30000113.7A188S186-A188 PolarHBondContact O-N 2.69Å
187T31.4Very low31.1Very low129 Ų129128.2 Ų128.279%0.79180%0.803SS**  trans-74.857.3171.247.10000112.5C185 G189C185-T187 PolarHBondContact O-N 3.27Å; T187-G189 PolarHBondContact O-N 3.12Å
188A27.2Very low31Very low92 Ų92129.9 Ų129.976%0.7681%0.809SS**  trans-80.1116.2-176.700000112.7S186S186-A188 PolarHBondContact O-N 2.69Å
189G25.4Very low30.8Very low75 Ų75126 Ų12677%0.77380%0.804SS**  trans87.762.2151.200000118.5T187T187-G189 PolarHBondContact O-N 3.12Å
190F30.5Very low30.4Very low195 Ų195127.1 Ų127.186%0.85582%0.815SS**  trans-99.5100.3156.7-81.1-76.5000111.1
191G26.1Very low30.2Very low63 Ų63122.3 Ų122.365%0.64980%0.804SS**  trans-82.4146163.200000110.9A193G191-A193 PolarHBondContact O-N 3.45Å
192P29.5Very low30Very low136 Ų136118.4 Ų118.488%0.88380%0.798SS**  trans-76117.7178.630.1-32.8000111
193A27.3Very low29.9Very low100 Ų100122 Ų12283%0.82680%0.801SS**  trans-104.4141.8162.200000109.2G191G191-A193 PolarHBondContact O-N 3.45Å
194E28.4Very low30.5Very low200 Ų200120.8 Ų120.894%0.93580%0.795SS**  trans-73.5163.1-158.4-54.1176.1136.600114.9
195G30.3Very low31.5Very low64 Ų64119.7 Ų119.766%0.6678%0.775SS**  trans130-13.3132.200000120.6
196Y26.9Very low33Very low227 Ų227120 Ų12089%0.8977%0.768SS**  trans-134.598.1-179.8-80.8-79.9000114.8V198Y196-V198 PolarHBondContact O-N 3.32Å
197S28.2Very low35Very low133 Ų133114.6 Ų114.693%0.9373%0.729SS**  trans-76.891.6167.3-61.80000111.1
198V34.7Very low37.1Very low134 Ų134111.2 Ų111.281%0.81271%0.705SS**  trans-82.6131.5159.5179.50000108Y196Y196-V198 PolarHBondContact O-N 3.32Å
199G27.1Very low40Very low65 Ų65106.9 Ų106.967%0.6767%0.669SS**  trans-62.7159.6-175.700000113.9G201G199-G201 PolarHBondContact O-N 2.81Å; G199-G201 VanDerWaalsContact O-N 3.1Å
200G32.2Very low43Very low97 Ų97103.3 Ų103.3100%163%0.632SS**  trans-62.3109.8-174.900000113.7
201G25.1Very low45.9Very low61 Ų6194 Ų9463%0.62959%0.592SS**  trans-134.4155.415800000108.7G199 R203G199-G201 PolarHBondContact O-N 2.81Å; G199-G201 VanDerWaalsContact O-N 3.1Å; G201-R203 PolarHBondContact O-N 3.06Å
202G33.8Very low49Very low65 Ų6591.6 Ų91.667%0.6756%0.564SS**  trans-55.9136.1168.700000109.5D204G202-D204 PolarHBondContact O-N 3.22Å
203R38.4Very low51.9Low221 Ų22185.7 Ų85.783%0.83453%0.525SS*.  trans-79.368.9171.3-74.7-171.9-65.8-169.5-1.8109G201 F205G201-R203 PolarHBondContact O-N 3.06Å; R203-F205 VanDerWaalsContact C-N 3.31Å; R203-F205 WeakPolarHBondContact O-CD2 3.46Å; R203-F205 PolarHBondContact O-N 2.82Å
204D46.2Very low55Low131 Ų13180.9 Ų80.970%0.70149%0.485SS*.  trans-6495.8169.6-64.7-18.9000107.1G202G202-D204 PolarHBondContact O-N 3.22Å
205F54.6Low58.1Low95 Ų9571.4 Ų71.442%0.41744%0.441SS..  trans-55.8147.2172.1-67.2-81.9000108.9L169 R203 D207L169-F205 HydrophobicContact CD2-CB 4.4Å; R203-F205 VanDerWaalsContact C-N 3.31Å; R203-F205 WeakPolarHBondContact O-CD2 3.46Å; R203-F205 PolarHBondContact O-N 2.82Å; F205-D207 PolarHBondContact O-N 3.4Å
206M61.1Low61Low111 Ų11172.4 Ų72.455%0.54743%0.429SS..  trans-68102.4175.9-60.6-172.777.200108.1I208M206-I208 VanDerWaalsContact C-N 3.35Å; M206-I208 HydrophobicContact CB-CD1 3.53Å; M206-I208 HydrophobicContact CB-CG1 3.88Å; M206-I208 HydrophobicContact CE-CD1 4.17Å; M206-I208 HydrophobicContact CG-CD1 4.48Å; M206-I208 WeakPolarHBondContact O-CG1 3.45Å; M206-I208 PolarHBondContact O-N 2.74Å; M206-I208 HydrophobicContact SD-CD1 4.23Å
207D70.5Confident64Low13 Ų1365.6 Ų65.67%0.0740%0.404CS..  trans-62.396.8175.9-53.2-55000108.5L169 F205 F235 Q237 K238L169-D207 WeakPolarHBondContact CD1-OD1 3.35Å; F205-D207 PolarHBondContact O-N 3.4Å; D207-F235 HydrophobicContact CB-CE1 4.37Å; D207-F235 HydrophobicContact CB-CZ 3.68Å; D207-Q237 WeakPolarHBondContact O-CG 3.42Å; D207-Q237 PolarHBondContact O-NE2 3.21Å; D207-K238 IonicContact OD1-NZ 2.64Å; D207-K238 PolarHBondContact OD1-NZ 2.65Å; D207-K238 WeakPolarHBondContact OD2-CD 3.39Å; D207-K238 VanDerWaalsContact OD2-CG 3.24Å; D207-K238 WeakPolarHBondContact OD2-CG 3.49Å; D207-K238 IonicContact OD2-NZ 2.68Å; D207-K238 PolarHBondContact OD2-NZ 2.91Å
208I75.8Confident66.9Low58 Ų5859.3 Ų59.330%0.29736%0.361SS..  trans-131.8111.9-172.2-70.2173.9000107.3M206 V213 Q237M206-I208 VanDerWaalsContact C-N 3.35Å; M206-I208 HydrophobicContact CB-CD1 3.53Å; M206-I208 HydrophobicContact CB-CG1 3.88Å; M206-I208 HydrophobicContact CE-CD1 4.17Å; M206-I208 HydrophobicContact CG-CD1 4.48Å; M206-I208 WeakPolarHBondContact O-CG1 3.45Å; M206-I208 PolarHBondContact O-N 2.74Å; M206-I208 HydrophobicContact SD-CD1 4.23Å; I208-V213 HydrophobicContact CG2-CG2 3.21Å; I208-Q237 VanDerWaalsContact CG1-NE2 3.31Å
209T87.5Confident69.7Low1 Ų155.5 Ų55.51%0.00633%0.334CS..  trans-80.9157.3177.264.10000112.1F166 L211 M212 V213 F235F166-T209 HydrophobicContact CE1-CG2 3.38Å; F166-T209 HydrophobicContact CZ-CG2 3.47Å; F166-T209 VanDerWaalsContact CZ-CG2 3.47Å; T209-L211 PolarHBondContact O-N 3.23Å; T209-M212 PolarHBondContact O-N 3.45Å; T209-M212 WeakPolarHBondContact OG1-CG 3.3Å; T209-M212 PolarHBondContact OG1-N 3.41Å; T209-V213 WeakPolarHBondContact O-CG2 3.42Å; T209-V213 PolarHBondContact O-N 2.8Å; T209-V213 VanDerWaalsContact O-N 3.13Å; T209-F235 HydrophobicContact CG2-CD1 3.66Å; T209-F235 HydrophobicContact CG2-CE1 4.09Å; T209-F235 HydrophobicContact CG2-CG 3.98Å
210A89.5Confident72.8Confident0 Ų055 Ų550%032%0.315CS..Hα-helixtrans-54.7-37.9168.400000111.7L141 A145 V213 A214 L226L141-A210 HydrophobicContact CD2-CB 4.01Å; L141-A210 HydrophobicContact CG-CB 3.9Å; A145-A210 HydrophobicContact CB-CB 3.96Å; A145-A210 WeakPolarHBondContact CB-O 3.28Å; A210-V213 PolarHBondContact O-N 2.81Å; A210-A214 WeakPolarHBondContact O-CB 3.39Å; A210-A214 PolarHBondContact O-N 2.73Å; A210-L226 HydrophobicContact CB-CD1 3.93Å; A210-L226 HydrophobicContact CB-CD2 4.01Å
211L91.8Very high75.7Confident0 Ų052.9 Ų52.90%029%0.288CS..Hα-helixtrans-64.9-43.8177.7-17866.1000112.7T209 V213 S215 V223 L226 L227 S231 P244 L260T209-L211 PolarHBondContact O-N 3.23Å; L211-V213 VanDerWaalsContact C-N 3.33Å; L211-V213 PolarHBondContact O-N 3.27Å; L211-S215 VanDerWaalsContact O-CB 3.23Å; L211-S215 WeakPolarHBondContact O-CB 3.29Å; L211-S215 PolarHBondContact O-N 3.3Å; L211-S215 PolarHBondContact O-OG 3.23Å; L211-V223 HydrophobicContact CD1-CG1 4.01Å; L211-L226 HydrophobicContact CD1-CB 4.22Å; L211-L227 HydrophobicContact CD1-CD2 3.91Å; L211-L227 HydrophobicContact CD1-CG 3.87Å; L211-L227 HydrophobicContact CD2-CD2 3.78Å; L211-S231 WeakPolarHBondContact CB-OG 3.5Å; L211-P244 HydrophobicContact CD2-CB 3.93Å; L211-P244 HydrophobicContact CD2-CG 3.78Å; L211-P244 HydrophobicContact CG-CB 4.07Å; L211-P244 HydrophobicContact CG-CG 4.21Å; L211-L260 HydrophobicContact CD1-CD2 4.17Å; L211-L260 HydrophobicContact CD2-CD2 4.2Å; L211-L260 HydrophobicContact CG-CD2 4.37Å
212M90.3Very high78.9Confident12 Ų1250 Ų506%0.05926%0.258CS..Hα-helixtrans-60.5-42.8174.2-75.9178.579.900111.5T209 S215 Q216 F235 Q237 W242 P244 A247T209-M212 PolarHBondContact O-N 3.45Å; T209-M212 WeakPolarHBondContact OG1-CG 3.3Å; T209-M212 PolarHBondContact OG1-N 3.41Å; M212-S215 PolarHBondContact O-N 3.34Å; M212-Q216 VanDerWaalsContact O-CB 3.3Å; M212-Q216 WeakPolarHBondContact O-CB 3.4Å; M212-Q216 PolarHBondContact O-N 3.14Å; M212-F235 HydrophobicContact CG-CD1 4.5Å; M212-F235 HydrophobicContact SD-CD1 3.59Å; M212-F235 VanDerWaalsContact SD-CD1 3.59Å; M212-F235 HydrophobicContact SD-CE1 3.65Å; M212-Q237 HydrophobicContact CE-CB 4.26Å; M212-W242 HydrophobicContact CE-CB 3.99Å; M212-W242 WeakPolarHBondContact CE-O 3.49Å; M212-P244 HydrophobicContact CG-CG 4.06Å; M212-A247 HydrophobicContact CB-CB 4.26Å; M212-A247 HydrophobicContact CG-CB 4.46Å
213V90.8Very high81.8Confident11 Ų1147 Ų477%0.06723%0.226CC..Hα-helixtrans-69.5-43.6-178.6176.70000111.9R146 I208 T209 A210 L211 S215 Q216 H217R146-V213 HydrophobicContact CB-CG1 3.56Å; R146-V213 HydrophobicContact CG-CG1 3.73Å; I208-V213 HydrophobicContact CG2-CG2 3.21Å; T209-V213 WeakPolarHBondContact O-CG2 3.42Å; T209-V213 PolarHBondContact O-N 2.8Å; T209-V213 VanDerWaalsContact O-N 3.13Å; A210-V213 PolarHBondContact O-N 2.81Å; L211-V213 VanDerWaalsContact C-N 3.33Å; L211-V213 PolarHBondContact O-N 3.27Å; V213-S215 VanDerWaalsContact C-N 3.31Å; V213-S215 PolarHBondContact O-N 2.91Å; V213-Q216 PolarHBondContact O-N 3.03Å; V213-H217 PolarHBondContact O-CD2 3.02Å; V213-H217 PolarHBondContact O-N 3.48Å; V213-H217 VanDerWaalsContact O-N 3.08Å
214A92.7Very high84.4Confident0 Ų042.1 Ų42.10%021%0.208CC..Hα-helixtrans-61.3-41.7173.700000111.3A145 A210 G218 H219 A222 V223 L226A145-A214 HydrophobicContact CB-CB 4.2Å; A210-A214 WeakPolarHBondContact O-CB 3.39Å; A210-A214 PolarHBondContact O-N 2.73Å; A214-G218 PolarHBondContact O-N 3.12Å; A214-H219 HydrophobicContact CB-CB 4.44Å; A214-H219 PolarHBondContact O-N 3.47Å; A214-A222 HydrophobicContact CB-CB 4.25Å; A214-V223 HydrophobicContact CB-CG2 3.7Å; A214-L226 HydrophobicContact CB-CD1 4.06Å
215S92.3Very high86.7Confident0 Ų036.7 Ų36.70%018%0.179CC..Hα-helixtrans-65.7-45.7177.8-58.90000111.9L211 M212 V213 H217 G218 S251L211-S215 VanDerWaalsContact O-CB 3.23Å; L211-S215 WeakPolarHBondContact O-CB 3.29Å; L211-S215 PolarHBondContact O-N 3.3Å; L211-S215 PolarHBondContact O-OG 3.23Å; M212-S215 PolarHBondContact O-N 3.34Å; V213-S215 VanDerWaalsContact C-N 3.31Å; V213-S215 PolarHBondContact O-N 2.91Å; S215-H217 PolarHBondContact O-N 3.1Å; S215-G218 PolarHBondContact O-N 3.35Å; S215-S251 VanDerWaalsContact O-CB 3.27Å; S215-S251 WeakPolarHBondContact O-CB 3.24Å
216Q91.1Very high88.5Confident86 Ų8632.1 Ų32.140%0.40216%0.159SC..Hα-helixtrans-59.2-43.7177.2179.9179.122.600112.7M212 V213 G218 A247 L250M212-Q216 VanDerWaalsContact O-CB 3.3Å; M212-Q216 WeakPolarHBondContact O-CB 3.4Å; M212-Q216 PolarHBondContact O-N 3.14Å; V213-Q216 PolarHBondContact O-N 3.03Å; Q216-G218 VanDerWaalsContact C-N 3.32Å; Q216-A247 WeakPolarHBondContact CA-O 3.45Å; Q216-A247 HydrophobicContact CB-CB 4.43Å; Q216-L250 HydrophobicContact CG-CB 4.16Å; Q216-L250 HydrophobicContact CG-CD1 3.86Å
217H89.6Confident89.9Confident83 Ų8327.2 Ų27.238%0.38414%0.135SC..Hα-helixtrans-84.8-3.7-179.6-74.8-64.1000114R146 V213 S215 H219R146-H217 WeakPolarHBondContact CG-NE2 3.41Å; R146-H217 PolarHBondContact NE-NE2 3.31Å; V213-H217 PolarHBondContact O-CD2 3.02Å; V213-H217 PolarHBondContact O-N 3.48Å; V213-H217 VanDerWaalsContact O-N 3.08Å; S215-H217 PolarHBondContact O-N 3.1Å; H217-H219 VanDerWaalsContact CB-CD2 3.44Å; H217-H219 WeakPolarHBondContact CB-CD2 3.43Å; H217-H219 WeakPolarHBondContact CB-NE2 3.49Å
218G90.1Very high90.9Very high2 Ų233.3 Ų33.32%0.02116%0.163CC..THydrogen-bonded Turntrans8026.8174.900000114.6A214 S215 Q216 E220 K253 I256A214-G218 PolarHBondContact O-N 3.12Å; S215-G218 PolarHBondContact O-N 3.35Å; Q216-G218 VanDerWaalsContact C-N 3.32Å; G218-E220 PolarHBondContact O-N 2.95Å; G218-E220 VanDerWaalsContact O-N 3.09Å; G218-K253 WeakPolarHBondContact O-CD 3.39Å; G218-K253 WeakPolarHBondContact O-CE 3.24Å; G218-K253 PolarHBondContact O-NZ 3.34Å; G218-I256 VanDerWaalsContact C-CD1 3.41Å; G218-I256 VanDerWaalsContact CA-CD1 3.46Å
219H93.4Very high91.6Very high53 Ų5335.5 Ų35.525%0.24517%0.167CC..  trans-88.468.7-173.3-65.6-54.2000112.7A145 R146 G147 G148 A214 H217 A221 A222 V223A145-H219 PolarHBondContact O-CD2 2.92Å; R146-H219 PolarHBondContact O-CD2 3.21Å; R146-H219 PolarHBondContact O-NE2 2.95Å; G147-H219 PolarHBondContact O-CE1 3.26Å; G148-H219 VanDerWaalsContact CA-CD2 3.48Å; G148-H219 WeakPolarHBondContact CA-CD2 3.38Å; G148-H219 PolarHBondContact N-CD2 2.84Å; G148-H219 PolarHBondContact N-NE2 3.43Å; A214-H219 HydrophobicContact CB-CB 4.44Å; A214-H219 PolarHBondContact O-N 3.47Å; H217-H219 VanDerWaalsContact CB-CD2 3.44Å; H217-H219 WeakPolarHBondContact CB-CD2 3.43Å; H217-H219 WeakPolarHBondContact CB-NE2 3.49Å; H219-A221 VanDerWaalsContact C-N 3.32Å; H219-A221 PolarHBondContact O-N 2.85Å; H219-A221 VanDerWaalsContact O-N 3.13Å; H219-A222 HydrophobicContact CB-CB 4.06Å; H219-A222 WeakPolarHBondContact O-CA 2.93Å; H219-A222 WeakPolarHBondContact O-CB 3.04Å; H219-A222 PolarHBondContact O-N 3.19Å; H219-V223 PolarHBondContact O-N 3.47Å
220E92.5Very high91.5Very high56 Ų5638.2 Ų38.226%0.26220%0.195SC..Hα-helixtrans-43.5-47.4-174.7-167.1-173.9127.300115G218 A222 V223 R224 S255 I256 Q259G218-E220 PolarHBondContact O-N 2.95Å; G218-E220 VanDerWaalsContact O-N 3.09Å; E220-A222 PolarHBondContact O-N 3.01Å; E220-V223 PolarHBondContact O-N 2.79Å; E220-R224 PolarHBondContact O-N 3.29Å; E220-R224 IonicContact OE1-CZ 2.73Å; E220-R224 IonicContact OE1-NH1 3.66Å; E220-R224 PolarHBondContact OE1-NH1 3.02Å; E220-R224 IonicContact OE1-NH2 2.73Å; E220-R224 PolarHBondContact OE1-NH2 3.01Å; E220-S255 VanDerWaalsContact OE2-CB 3.3Å; E220-S255 WeakPolarHBondContact OE2-CB 3.43Å; E220-S255 PolarHBondContact OE2-OG 3.34Å; E220-I256 HydrophobicContact CB-CD1 4.39Å; E220-I256 HydrophobicContact CB-CG1 4.19Å; E220-I256 HydrophobicContact CG-CG1 4.3Å; E220-Q259 PolarHBondContact O-OE1 3.27Å
221A92.9Very high91.5Very high52 Ų5238.4 Ų38.443%0.4320%0.196SC..Hα-helixtrans-72.8-25.4-179.400000113.7V150 H219 L225V150-A221 HydrophobicContact CG2-CB 3.67Å; H219-A221 VanDerWaalsContact C-N 3.32Å; H219-A221 PolarHBondContact O-N 2.85Å; H219-A221 VanDerWaalsContact O-N 3.13Å; A221-L225 PolarHBondContact O-N 3.5Å
222A92.9Very high91.3Very high1 Ų141.3 Ų41.31%0.00821%0.212CC..Hα-helixtrans-77.8-36170.600000111.1A214 H219 E220 L225 L226A214-A222 HydrophobicContact CB-CB 4.25Å; H219-A222 HydrophobicContact CB-CB 4.06Å; H219-A222 WeakPolarHBondContact O-CA 2.93Å; H219-A222 WeakPolarHBondContact O-CB 3.04Å; H219-A222 PolarHBondContact O-N 3.19Å; E220-A222 PolarHBondContact O-N 3.01Å; A222-L225 PolarHBondContact O-N 3.46Å; A222-L226 WeakPolarHBondContact O-CB 3.3Å; A222-L226 VanDerWaalsContact O-CG 3.3Å; A222-L226 WeakPolarHBondContact O-CG 3.48Å; A222-L226 PolarHBondContact O-N 3.21Å
223V93.8Very high91.2Very high0 Ų041.6 Ų41.60%021%0.214CC..Hα-helixtrans-60.1-50.5171.6172.10000110.7L211 A214 H219 E220 L225 L226 L227 I256 L260L211-V223 HydrophobicContact CD1-CG1 4.01Å; A214-V223 HydrophobicContact CB-CG2 3.7Å; H219-V223 PolarHBondContact O-N 3.47Å; E220-V223 PolarHBondContact O-N 2.79Å; V223-L225 VanDerWaalsContact C-N 3.29Å; V223-L225 PolarHBondContact O-N 3.32Å; V223-L226 PolarHBondContact O-N 3.23Å; V223-L227 HydrophobicContact CG1-CD1 3.61Å; V223-L227 HydrophobicContact CG1-CG 4.28Å; V223-L227 WeakPolarHBondContact O-CB 3.43Å; V223-L227 VanDerWaalsContact O-CG 3.28Å; V223-L227 WeakPolarHBondContact O-CG 3.27Å; V223-L227 PolarHBondContact O-N 3.01Å; V223-I256 HydrophobicContact CG1-CG2 4.33Å; V223-I256 HydrophobicContact CG2-CD1 4.4Å; V223-I256 HydrophobicContact CG2-CG2 4.26Å; V223-L260 HydrophobicContact CG1-CD2 4.46Å
224R93.5Very high91Very high119 Ų11943.3 Ų43.345%0.44922%0.223SC..Hα-helixtrans-51.9-47.5175.3-74.3-161.7179.793.17.6112.3E220 L227 E228 Q259E220-R224 PolarHBondContact O-N 3.29Å; E220-R224 IonicContact OE1-CZ 2.73Å; E220-R224 IonicContact OE1-NH1 3.66Å; E220-R224 PolarHBondContact OE1-NH1 3.02Å; E220-R224 IonicContact OE1-NH2 2.73Å; E220-R224 PolarHBondContact OE1-NH2 3.01Å; R224-L227 PolarHBondContact O-N 3.32Å; R224-E228 WeakPolarHBondContact O-CB 3.32Å; R224-E228 PolarHBondContact O-N 2.86Å; R224-Q259 HydrophobicContact CG-CG 4.44Å
225L93.5Very high90.7Very high17 Ų1744.2 Ų44.29%0.08923%0.227CC..Hα-helixtrans-67.5-43.9-177.4-176.166.6000112.3V150 V153 K154 L157 A221 A222 V223 L227 E228 W229V150-L225 HydrophobicContact CG1-CD2 4Å; V153-L225 HydrophobicContact CB-CD2 4.16Å; V153-L225 HydrophobicContact CG1-CD2 3.83Å; K154-L225 HydrophobicContact CB-CD2 3.77Å; L157-L225 HydrophobicContact CD1-CD2 4.23Å; L157-L225 HydrophobicContact CD1-CG 4.06Å; A221-L225 PolarHBondContact O-N 3.5Å; A222-L225 PolarHBondContact O-N 3.46Å; V223-L225 VanDerWaalsContact C-N 3.29Å; V223-L225 PolarHBondContact O-N 3.32Å; L225-L227 VanDerWaalsContact C-N 3.31Å; L225-L227 PolarHBondContact O-N 3.35Å; L225-E228 WeakPolarHBondContact O-CB 3.34Å; L225-E228 PolarHBondContact O-N 2.75Å; L225-W229 VanDerWaalsContact O-CD1 3.24Å; L225-W229 PolarHBondContact O-N 3.43Å
226L92.1Very high90.3Very high0 Ų046.2 Ų46.20%024%0.241CC..Hα-helixtrans-64.7-36.2177-70.3165.1000112L141 A145 V153 L157 A210 L211 A214 A222 V223 G230 S231L141-L226 HydrophobicContact CD1-CD2 4.48Å; L141-L226 HydrophobicContact CD2-CD2 3.97Å; L141-L226 HydrophobicContact CG-CD2 4.33Å; A145-L226 HydrophobicContact CB-CD1 4.28Å; V153-L226 HydrophobicContact CG1-CD2 4.09Å; V153-L226 HydrophobicContact CG1-CG 4.24Å; L157-L226 HydrophobicContact CD1-CD2 4.38Å; A210-L226 HydrophobicContact CB-CD1 3.93Å; A210-L226 HydrophobicContact CB-CD2 4.01Å; L211-L226 HydrophobicContact CD1-CB 4.22Å; A214-L226 HydrophobicContact CB-CD1 4.06Å; A222-L226 WeakPolarHBondContact O-CB 3.3Å; A222-L226 VanDerWaalsContact O-CG 3.3Å; A222-L226 WeakPolarHBondContact O-CG 3.48Å; A222-L226 PolarHBondContact O-N 3.21Å; V223-L226 PolarHBondContact O-N 3.23Å; L226-G230 PolarHBondContact O-N 2.79Å; L226-S231 VanDerWaalsContact O-CB 3.26Å; L226-S231 WeakPolarHBondContact O-CB 3.32Å; L226-S231 PolarHBondContact O-N 3.12Å
227L91.6Very high89.9Confident8 Ų842.9 Ų42.94%0.04223%0.226CC..Hα-helixtrans-72.1-32.4173.3-67170.8000112.7L211 V223 R224 L225 W229 G230 V233 Q259 L260 R263L211-L227 HydrophobicContact CD1-CD2 3.91Å; L211-L227 HydrophobicContact CD1-CG 3.87Å; L211-L227 HydrophobicContact CD2-CD2 3.78Å; V223-L227 HydrophobicContact CG1-CD1 3.61Å; V223-L227 HydrophobicContact CG1-CG 4.28Å; V223-L227 WeakPolarHBondContact O-CB 3.43Å; V223-L227 VanDerWaalsContact O-CG 3.28Å; V223-L227 WeakPolarHBondContact O-CG 3.27Å; V223-L227 PolarHBondContact O-N 3.01Å; R224-L227 PolarHBondContact O-N 3.32Å; L225-L227 VanDerWaalsContact C-N 3.31Å; L225-L227 PolarHBondContact O-N 3.35Å; L227-W229 VanDerWaalsContact C-N 3.34Å; L227-G230 PolarHBondContact O-N 3.11Å; L227-V233 HydrophobicContact CD2-CB 4.47Å; L227-V233 HydrophobicContact CD2-CG1 4.03Å; L227-V233 HydrophobicContact CD2-CG2 3.81Å; L227-Q259 HydrophobicContact CD1-CB 4.17Å; L227-L260 HydrophobicContact CD1-CD2 4.1Å; L227-L260 HydrophobicContact CD2-CD2 4.14Å; L227-R263 HydrophobicContact CB-CG 4.39Å; L227-R263 HydrophobicContact CD1-CG 4.19Å; L227-R263 HydrophobicContact CD2-CB 4.45Å; L227-R263 PolarHBondContact O-NH1 3.43Å
228E91.9Very high89.4Confident140 Ų14046 Ų4665%0.65424%0.238SC*.Hα-helixtrans-67.2-35.4173.5-177.6174-155.500111.9R224 L225 G230R224-E228 WeakPolarHBondContact O-CB 3.32Å; R224-E228 PolarHBondContact O-N 2.86Å; L225-E228 WeakPolarHBondContact O-CB 3.34Å; L225-E228 PolarHBondContact O-N 2.75Å; E228-G230 VanDerWaalsContact C-N 3.27Å; E228-G230 PolarHBondContact O-N 2.83Å
229W89.4Confident88.6Confident105 Ų10549.6 Ų49.640%0.39826%0.26SS..THydrogen-bonded Turntrans-84.76.8173.6-73.866.3000114L157 E158 V163 L225 L227L157-W229 HydrophobicContact CB-CD2 3.83Å; L157-W229 HydrophobicContact CB-CE3 3.79Å; L157-W229 HydrophobicContact CB-CG 4.49Å; L157-W229 HydrophobicContact CB-CH2 4.05Å; L157-W229 HydrophobicContact CB-CZ2 4.1Å; L157-W229 HydrophobicContact CB-CZ3 3.9Å; L157-W229 HydrophobicContact CD1-CB 4.24Å; L157-W229 HydrophobicContact CD1-CD2 4.05Å; L157-W229 HydrophobicContact CD1-CG 3.83Å; L157-W229 HydrophobicContact CD2-CB 4.41Å; L157-W229 HydrophobicContact CD2-CD2 4.37Å; L157-W229 HydrophobicContact CD2-CE3 4.25Å; L157-W229 HydrophobicContact CD2-CG 4.47Å; L157-W229 HydrophobicContact CG-CD2 4.31Å; L157-W229 HydrophobicContact CG-CE3 4.46Å; L157-W229 HydrophobicContact CG-CG 4.5Å; L157-W229 WeakPolarHBondContact O-CZ3 3.34Å; E158-W229 HydrophobicContact CG-CH2 3.98Å; E158-W229 HydrophobicContact CG-CZ2 3.96Å; V163-W229 HydrophobicContact CG2-CB 4.02Å; L225-W229 VanDerWaalsContact O-CD1 3.24Å; L225-W229 PolarHBondContact O-N 3.43Å; L227-W229 VanDerWaalsContact C-N 3.34Å
230G85.9Confident88.1Confident57 Ų5749.1 Ų49.159%0.58826%0.261SS*.THydrogen-bonded Turntrans92.41916600000117.3L226 L227 E228L226-G230 PolarHBondContact O-N 2.79Å; L227-G230 PolarHBondContact O-N 3.11Å; E228-G230 VanDerWaalsContact C-N 3.27Å; E228-G230 PolarHBondContact O-N 2.83Å
231S89.3Confident87.7Confident4 Ų446.8 Ų46.83%0.02825%0.251CS..  trans-61136.5179.8-171.80000113.4V163 D164 L211 L226 V233V163-S231 VanDerWaalsContact CG1-CB 3.46Å; D164-S231 WeakPolarHBondContact OD1-CA 3.38Å; D164-S231 WeakPolarHBondContact OD1-CB 3.21Å; D164-S231 PolarHBondContact OD1-OG 3.06Å; D164-S231 WeakPolarHBondContact OD2-CA 3.45Å; L211-S231 WeakPolarHBondContact CB-OG 3.5Å; L226-S231 VanDerWaalsContact O-CB 3.26Å; L226-S231 WeakPolarHBondContact O-CB 3.32Å; L226-S231 PolarHBondContact O-N 3.12Å; S231-V233 PolarHBondContact O-N 2.71Å
232D86.9Confident87.4Confident61 Ų6147 Ų4733%0.32624%0.241SC..  trans-62.3105.5-178.3-179.816.1000112.7D164 F166 N234 F235D164-D232 PolarHBondContact OD1-N 2.9Å; D164-D232 PolarHBondContact OD2-N 3.13Å; F166-D232 HydrophobicContact CE2-CB 3.92Å; F166-D232 HydrophobicContact CZ-CB 4.37Å; D232-N234 VanDerWaalsContact C-N 3.25Å; D232-N234 PolarHBondContact O-N 2.61Å; D232-N234 WeakPolarHBondContact OD1-CA 3.35Å; D232-N234 PolarHBondContact OD1-N 3.25Å; D232-F235 HydrophobicContact CB-CB 4.23Å; D232-F235 PolarHBondContact O-N 2.94Å; D232-F235 PolarHBondContact OD1-N 3.3Å; D232-F235 WeakPolarHBondContact OD2-CA 3.47Å; D232-F235 WeakPolarHBondContact OD2-CB 3.16Å; D232-F235 PolarHBondContact OD2-N 2.81Å
233V88.4Confident87.2Confident18 Ų1847.1 Ų47.111%0.10924%0.243CC..THydrogen-bonded Turntrans-68.4-25.6177.7-143.10000112.7L227 S231 P244 L260 R263 A265L227-V233 HydrophobicContact CD2-CB 4.47Å; L227-V233 HydrophobicContact CD2-CG1 4.03Å; L227-V233 HydrophobicContact CD2-CG2 3.81Å; S231-V233 PolarHBondContact O-N 2.71Å; V233-P244 WeakPolarHBondContact O-CD 3.47Å; V233-P244 WeakPolarHBondContact O-CG 3.26Å; V233-L260 HydrophobicContact CG1-CB 4Å; V233-L260 HydrophobicContact CG1-CD2 3.51Å; V233-L260 HydrophobicContact CG1-CG 4.36Å; V233-R263 HydrophobicContact CG2-CB 4Å; V233-A265 HydrophobicContact CB-CB 4.48Å; V233-A265 HydrophobicContact CG1-CB 3.74Å
234N86.8Confident87Confident48 Ų4847.1 Ų47.126%0.25724%0.243SC..THydrogen-bonded Turntrans-104.818.2-178.7-72.1-48.6000112.6D232 G264 A265 D266 R269D232-N234 VanDerWaalsContact C-N 3.25Å; D232-N234 PolarHBondContact O-N 2.61Å; D232-N234 WeakPolarHBondContact OD1-CA 3.35Å; D232-N234 PolarHBondContact OD1-N 3.25Å; N234-G264 PolarHBondContact ND2-O 3.38Å; N234-A265 WeakPolarHBondContact OD1-CA 3.5Å; N234-D266 PolarHBondContact OD1-N 3.38Å; N234-R269 PolarHBondContact O-NH1 3.05Å; N234-R269 PolarHBondContact O-NH2 3.3Å
235F86.6Confident86.9Confident19 Ų1941.9 Ų41.98%0.08322%0.223CC..  trans-55.9146.8171.6174-110.3000111.6F166 D207 T209 M212 D232 Q237 G243 P244 R269F166-F235 AromaticContact CD1-CD2 3.98Å; F166-F235 HydrophobicContact CD1-CD2 3.98Å; F166-F235 AromaticContact CD1-CE2 3.82Å; F166-F235 HydrophobicContact CD1-CE2 3.82Å; F166-F235 HydrophobicContact CE1-CB 4.46Å; F166-F235 HydrophobicContact CE1-CD1 4.14Å; F166-F235 AromaticContact CE1-CD2 3.12Å; F166-F235 HydrophobicContact CE1-CD2 3.12Å; F166-F235 HydrophobicContact CE1-CE1 4.24Å; F166-F235 AromaticContact CE1-CE2 3.26Å; F166-F235 HydrophobicContact CE1-CE2 3.26Å; F166-F235 AromaticContact CE1-CG 3.61Å; F166-F235 HydrophobicContact CE1-CG 3.61Å; F166-F235 AromaticContact CE1-CZ 3.85Å; F166-F235 HydrophobicContact CE1-CZ 3.85Å; F166-F235 AromaticContact CE2-CD2 3.96Å; F166-F235 HydrophobicContact CE2-CD2 3.96Å; F166-F235 HydrophobicContact CE2-CG 4.42Å; F166-F235 HydrophobicContact CZ-CB 3.75Å; F166-F235 HydrophobicContact CZ-CD1 4.23Å; F166-F235 AromaticContact CZ-CD2 3.12Å; F166-F235 HydrophobicContact CZ-CD2 3.12Å; F166-F235 AromaticContact CZ-CE2 3.82Å; F166-F235 HydrophobicContact CZ-CE2 3.82Å; F166-F235 AromaticContact CZ-CG 3.39Å; F166-F235 HydrophobicContact CZ-CG 3.39Å; D207-F235 HydrophobicContact CB-CE1 4.37Å; D207-F235 HydrophobicContact CB-CZ 3.68Å; T209-F235 HydrophobicContact CG2-CD1 3.66Å; T209-F235 HydrophobicContact CG2-CE1 4.09Å; T209-F235 HydrophobicContact CG2-CG 3.98Å; M212-F235 HydrophobicContact CG-CD1 4.5Å; M212-F235 HydrophobicContact SD-CD1 3.59Å; M212-F235 VanDerWaalsContact SD-CD1 3.59Å; M212-F235 HydrophobicContact SD-CE1 3.65Å; D232-F235 HydrophobicContact CB-CB 4.23Å; D232-F235 PolarHBondContact O-N 2.94Å; D232-F235 PolarHBondContact OD1-N 3.3Å; D232-F235 WeakPolarHBondContact OD2-CA 3.47Å; D232-F235 WeakPolarHBondContact OD2-CB 3.16Å; D232-F235 PolarHBondContact OD2-N 2.81Å; F235-Q237 HydrophobicContact CE1-CB 4.21Å; F235-G243 WeakPolarHBondContact O-CA 3.35Å; F235-P244 WeakPolarHBondContact O-CD 3.45Å; F235-R269 PolarHBondContact O-NH1 2.96Å
236S83.4Confident86.7Confident42 Ų4241.3 Ų41.329%0.29422%0.22SC..  trans-130.4118.2176.3-164.90000111.4K238S236-K238 PolarHBondContact O-N 3.39Å
237Q82.6Confident86.6Confident15 Ų1541.5 Ų41.57%0.0722%0.222CC..  trans-64.9117.4172174.9170.891.300110.3D207 I208 M212 F235 T239 T240 G241 W242D207-Q237 WeakPolarHBondContact O-CG 3.42Å; D207-Q237 PolarHBondContact O-NE2 3.21Å; I208-Q237 VanDerWaalsContact CG1-NE2 3.31Å; M212-Q237 HydrophobicContact CE-CB 4.26Å; F235-Q237 HydrophobicContact CE1-CB 4.21Å; Q237-T239 VanDerWaalsContact C-N 3.26Å; Q237-T239 PolarHBondContact O-N 3.43Å; Q237-T239 VanDerWaalsContact O-N 3.13Å; Q237-T240 PolarHBondContact O-N 2.88Å; Q237-T240 VanDerWaalsContact OE1-CG2 3.25Å; Q237-T240 PolarHBondContact OE1-OG1 2.93Å; Q237-G241 WeakPolarHBondContact O-CA 3.49Å; Q237-G241 PolarHBondContact O-N 3.26Å; Q237-W242 WeakPolarHBondContact CB-O 3.08Å; Q237-W242 PolarHBondContact N-O 3.37Å
238K79Confident86.6Confident150 Ų15041.1 Ų41.165%0.65222%0.22SC*.THydrogen-bonded Turntrans-55-37.7-172-59.7-177.3-155.890.60113.9D207 S236D207-K238 IonicContact OD1-NZ 2.64Å; D207-K238 PolarHBondContact OD1-NZ 2.65Å; D207-K238 WeakPolarHBondContact OD2-CD 3.39Å; D207-K238 VanDerWaalsContact OD2-CG 3.24Å; D207-K238 WeakPolarHBondContact OD2-CG 3.49Å; D207-K238 IonicContact OD2-NZ 2.68Å; D207-K238 PolarHBondContact OD2-NZ 2.91Å; S236-K238 PolarHBondContact O-N 3.39Å
239T75.2Confident86.4Confident76 Ų7634.5 Ų34.547%0.46619%0.189SC..THydrogen-bonded Turntrans-78.6-19.2-173.752.10000114.6Q237Q237-T239 VanDerWaalsContact C-N 3.26Å; Q237-T239 PolarHBondContact O-N 3.43Å; Q237-T239 VanDerWaalsContact O-N 3.13Å
240T81.2Confident86.4Confident44 Ų4432.8 Ų32.827%0.2719%0.187SC..THydrogen-bonded Turntrans-131.3-20.3-172.663.20000113.7Q237 W242 V272Q237-T240 PolarHBondContact O-N 2.88Å; Q237-T240 VanDerWaalsContact OE1-CG2 3.25Å; Q237-T240 PolarHBondContact OE1-OG1 2.93Å; T240-W242 VanDerWaalsContact C-N 3.27Å; T240-W242 VanDerWaalsContact CB-CD1 3.48Å; T240-W242 WeakPolarHBondContact OG1-CB 3.4Å; T240-W242 PolarHBondContact OG1-N 3.14Å; T240-V272 WeakPolarHBondContact O-CB 3.3Å; T240-V272 PolarHBondContact O-N 3.34Å
241G84Confident86.4Confident6 Ų631.5 Ų31.56%0.06217%0.169CC..  trans7216.2-169.800000114Q237 N271Q237-G241 WeakPolarHBondContact O-CA 3.49Å; Q237-G241 PolarHBondContact O-N 3.26Å; G241-N271 WeakPolarHBondContact O-CB 3.39Å
242W87Confident86.2Confident57 Ų5732.4 Ų32.422%0.21618%0.179CC..  trans-82.3130.3179.7-77.150000111.5M212 Q237 T240 M246 L250 L280M212-W242 HydrophobicContact CE-CB 3.99Å; M212-W242 WeakPolarHBondContact CE-O 3.49Å; Q237-W242 WeakPolarHBondContact CB-O 3.08Å; Q237-W242 PolarHBondContact N-O 3.37Å; T240-W242 VanDerWaalsContact C-N 3.27Å; T240-W242 VanDerWaalsContact CB-CD1 3.48Å; T240-W242 WeakPolarHBondContact OG1-CB 3.4Å; T240-W242 PolarHBondContact OG1-N 3.14Å; W242-M246 HydrophobicContact CD2-CB 4.23Å; W242-M246 HydrophobicContact CE3-CB 3.94Å; W242-M246 HydrophobicContact CZ3-CB 4.49Å; W242-L250 HydrophobicContact CH2-CD1 4.07Å; W242-L250 HydrophobicContact CH2-CD2 4.15Å; W242-L250 HydrophobicContact CH2-CG 4.12Å; W242-L250 HydrophobicContact CZ3-CD1 3.59Å; W242-L250 HydrophobicContact CZ3-CD2 4.36Å; W242-L250 HydrophobicContact CZ3-CG 3.82Å; W242-L280 HydrophobicContact CH2-CD1 4.29Å; W242-L280 HydrophobicContact CZ2-CD1 4.16Å; W242-L280 HydrophobicContact CZ2-CD2 4.43Å
243G89.3Confident86.3Confident4 Ų433.7 Ų33.74%0.04118%0.182CC..  trans-107.9175.5167.500000113.6F235 L245 M246 A247F235-G243 WeakPolarHBondContact O-CA 3.35Å; G243-L245 VanDerWaalsContact C-N 3.3Å; G243-L245 PolarHBondContact O-N 3.11Å; G243-M246 PolarHBondContact O-N 3.37Å; G243-A247 PolarHBondContact O-N 3.09Å
244P90.2Very high86.3Confident0 Ų035.6 Ų35.60%019%0.189CC..Hα-helixtrans-48.9-43.4178.5-31.136.6000114.8L211 M212 V233 F235 M246 A247 A248 L260L211-P244 HydrophobicContact CD2-CB 3.93Å; L211-P244 HydrophobicContact CD2-CG 3.78Å; L211-P244 HydrophobicContact CG-CB 4.07Å; L211-P244 HydrophobicContact CG-CG 4.21Å; M212-P244 HydrophobicContact CG-CG 4.06Å; V233-P244 WeakPolarHBondContact O-CD 3.47Å; V233-P244 WeakPolarHBondContact O-CG 3.26Å; F235-P244 WeakPolarHBondContact O-CD 3.45Å; P244-M246 PolarHBondContact O-N 2.81Å; P244-A247 WeakPolarHBondContact O-CB 3.41Å; P244-A247 PolarHBondContact O-N 2.92Å; P244-A248 PolarHBondContact O-N 3.33Å; P244-L260 HydrophobicContact CB-CD1 4.32Å; P244-L260 HydrophobicContact CB-CD2 3.98Å
245L90.6Very high86.6Confident9 Ų934.6 Ų34.65%0.04719%0.186CC..Hα-helixtrans-64.8-38.2179.1-175.461.5000112.5G243 A248 T249 A257 L260 V261 A265 P267 A277 L293G243-L245 VanDerWaalsContact C-N 3.3Å; G243-L245 PolarHBondContact O-N 3.11Å; L245-A248 WeakPolarHBondContact O-CB 3.32Å; L245-A248 PolarHBondContact O-N 3.38Å; L245-T249 PolarHBondContact O-N 3.41Å; L245-A257 HydrophobicContact CD1-CB 4.03Å; L245-L260 HydrophobicContact CB-CD1 4.45Å; L245-L260 HydrophobicContact CD1-CB 4.2Å; L245-L260 HydrophobicContact CD1-CD1 4.31Å; L245-V261 HydrophobicContact CD1-CG2 4.15Å; L245-V261 HydrophobicContact CD2-CG2 4.05Å; L245-A265 HydrophobicContact CB-CB 4.21Å; L245-A265 HydrophobicContact CD2-CB 4.13Å; L245-P267 HydrophobicContact CD2-CB 4.2Å; L245-A277 HydrophobicContact CD2-CB 4.32Å; L245-A277 HydrophobicContact CG-CB 4.13Å; L245-L293 HydrophobicContact CD2-CD2 4.45Å
246M89.4Confident86.8Confident4 Ų433.7 Ų33.72%0.0218%0.182CC..Hα-helixtrans-68.9-38.6173.7-63.8175.2-177.900111.4W242 G243 P244 A248 T249 R269 N271 A277 L280W242-M246 HydrophobicContact CD2-CB 4.23Å; W242-M246 HydrophobicContact CE3-CB 3.94Å; W242-M246 HydrophobicContact CZ3-CB 4.49Å; G243-M246 PolarHBondContact O-N 3.37Å; P244-M246 PolarHBondContact O-N 2.81Å; M246-A248 VanDerWaalsContact C-N 3.3Å; M246-A248 PolarHBondContact O-N 3.19Å; M246-T249 WeakPolarHBondContact O-CB 3.48Å; M246-T249 PolarHBondContact O-N 2.97Å; M246-T249 VanDerWaalsContact O-N 3.11Å; M246-T249 PolarHBondContact O-OG1 3.33Å; M246-R269 HydrophobicContact CE-CB 4.46Å; M246-R269 WeakPolarHBondContact CE-O 3.45Å; M246-N271 HydrophobicContact CE-CB 4Å; M246-N271 HydrophobicContact SD-CB 3.79Å; M246-A277 HydrophobicContact CG-CB 4.18Å; M246-L280 HydrophobicContact CB-CD1 3.92Å; M246-L280 HydrophobicContact CG-CD1 3.97Å; M246-L280 HydrophobicContact SD-CD1 4.29Å
247A89.7Confident87.1Confident4 Ų431.7 Ų31.73%0.03317%0.169CC..Hα-helixtrans-61.5-37.8172.700000111.9M212 Q216 G243 P244 T249 L250M212-A247 HydrophobicContact CB-CB 4.26Å; M212-A247 HydrophobicContact CG-CB 4.46Å; Q216-A247 WeakPolarHBondContact CA-O 3.45Å; Q216-A247 HydrophobicContact CB-CB 4.43Å; G243-A247 PolarHBondContact O-N 3.09Å; P244-A247 WeakPolarHBondContact O-CB 3.41Å; P244-A247 PolarHBondContact O-N 2.92Å; A247-T249 PolarHBondContact O-N 3.19Å; A247-L250 WeakPolarHBondContact O-CB 3.27Å; A247-L250 PolarHBondContact O-N 3.29Å
248A91.1Very high87.5Confident0 Ų033.9 Ų33.90%018%0.179CC..Hα-helixtrans-59.2-33173.500000112.9P244 L245 M246 L250 S251 I256 L260P244-A248 PolarHBondContact O-N 3.33Å; L245-A248 WeakPolarHBondContact O-CB 3.32Å; L245-A248 PolarHBondContact O-N 3.38Å; M246-A248 VanDerWaalsContact C-N 3.3Å; M246-A248 PolarHBondContact O-N 3.19Å; A248-L250 PolarHBondContact O-N 3.38Å; A248-L250 VanDerWaalsContact O-N 3.12Å; A248-S251 WeakPolarHBondContact O-CB 3.4Å; A248-S251 PolarHBondContact O-N 3.23Å; A248-S251 PolarHBondContact O-OG 3Å; A248-I256 HydrophobicContact CB-CB 4.48Å; A248-I256 HydrophobicContact CB-CG2 3.65Å; A248-L260 HydrophobicContact CB-CD1 3.79Å
249T89.4Confident88.1Confident1 Ų127.3 Ų27.31%0.00615%0.151CC..THydrogen-bonded Turntrans-67-3.2173.277.20000114.2L245 M246 A247 A277 A281 L284 Q286 V289 L293L245-T249 PolarHBondContact O-N 3.41Å; M246-T249 WeakPolarHBondContact O-CB 3.48Å; M246-T249 PolarHBondContact O-N 2.97Å; M246-T249 VanDerWaalsContact O-N 3.11Å; M246-T249 PolarHBondContact O-OG1 3.33Å; A247-T249 PolarHBondContact O-N 3.19Å; T249-A277 HydrophobicContact CG2-CB 4.12Å; T249-A277 WeakPolarHBondContact CG2-O 3.23Å; T249-A281 HydrophobicContact CG2-CB 4.35Å; T249-L284 WeakPolarHBondContact O-CD1 3.3Å; T249-Q286 PolarHBondContact O-NE2 2.94Å; T249-Q286 PolarHBondContact O-OE1 3.43Å; T249-V289 HydrophobicContact CG2-CG1 4.1Å; T249-L293 HydrophobicContact CG2-CD1 4.39Å
250L87.9Confident88.9Confident69 Ų6923.7 Ų23.736%0.36113%0.128SC..THydrogen-bonded Turntrans-86.5-21.4165.8-67.8171.6000112.7Q216 W242 A247 A248 L284Q216-L250 HydrophobicContact CG-CB 4.16Å; Q216-L250 HydrophobicContact CG-CD1 3.86Å; W242-L250 HydrophobicContact CH2-CD1 4.07Å; W242-L250 HydrophobicContact CH2-CD2 4.15Å; W242-L250 HydrophobicContact CH2-CG 4.12Å; W242-L250 HydrophobicContact CZ3-CD1 3.59Å; W242-L250 HydrophobicContact CZ3-CD2 4.36Å; W242-L250 HydrophobicContact CZ3-CG 3.82Å; A247-L250 WeakPolarHBondContact O-CB 3.27Å; A247-L250 PolarHBondContact O-N 3.29Å; A248-L250 PolarHBondContact O-N 3.38Å; A248-L250 VanDerWaalsContact O-N 3.12Å; L250-L284 HydrophobicContact CD2-CD1 3.9Å
251S86.6Confident89.3Confident30 Ų3023 Ų2321%0.2112%0.124CC..THydrogen-bonded Turntrans-87.3-23.2-173.476.40000115S215 A248 K253S215-S251 VanDerWaalsContact O-CB 3.27Å; S215-S251 WeakPolarHBondContact O-CB 3.24Å; A248-S251 WeakPolarHBondContact O-CB 3.4Å; A248-S251 PolarHBondContact O-N 3.23Å; A248-S251 PolarHBondContact O-OG 3Å; S251-K253 VanDerWaalsContact C-N 3.27Å; S251-K253 PolarHBondContact O-N 3.07Å; S251-K253 PolarHBondContact OG-N 3.28Å
252G85.6Confident89.5Confident23 Ų2329.4 Ų29.424%0.23715%0.152CC..  trans78.3-2-173.200000115.8Q286G252-Q286 VanDerWaalsContact CA-CD 3.42Å; G252-Q286 VanDerWaalsContact CA-OE1 3.29Å
253K87.4Confident89.6Confident89 Ų8932.7 Ų32.739%0.38717%0.165SC..  trans-92.7112.6-172.5-65.2-169177.8-172.80113.2G218 S251 S255 I256 A257G218-K253 WeakPolarHBondContact O-CD 3.39Å; G218-K253 WeakPolarHBondContact O-CE 3.24Å; G218-K253 PolarHBondContact O-NZ 3.34Å; S251-K253 VanDerWaalsContact C-N 3.27Å; S251-K253 PolarHBondContact O-N 3.07Å; S251-K253 PolarHBondContact OG-N 3.28Å; K253-S255 VanDerWaalsContact C-N 3.29Å; K253-S255 PolarHBondContact O-N 3.02Å; K253-I256 HydrophobicContact CB-CB 4.49Å; K253-I256 HydrophobicContact CB-CD1 4.14Å; K253-I256 HydrophobicContact CB-CG1 4.28Å; K253-I256 HydrophobicContact CD-CD1 4.06Å; K253-I256 PolarHBondContact O-N 3.12Å; K253-A257 PolarHBondContact O-N 3.23Å
254E89.9Confident89.4Confident57 Ų5734.5 Ų34.527%0.26618%0.183SC..Hα-helixtrans-57.4-41172.6-165.4-174.6149.800112.5I256 A257 Q258 E288 Y292E254-I256 PolarHBondContact O-N 3.26Å; E254-A257 PolarHBondContact O-N 3.14Å; E254-Q258 HydrophobicContact CG-CG 4.27Å; E254-Q258 WeakPolarHBondContact O-CG 3.39Å; E254-Q258 PolarHBondContact O-N 2.79Å; E254-Q258 PolarHBondContact OE1-NE2 3.46Å; E254-E288 HydrophobicContact CB-CB 4.19Å; E254-Y292 HydrophobicContact CG-CD2 4.28Å; E254-Y292 HydrophobicContact CG-CG 3.91Å
255S91.6Very high89.3Confident27 Ų2734.7 Ų34.719%0.18919%0.185CC..Hα-helixtrans-57.7-25.7-178.359.20000114.3E220 K253 Q259E220-S255 VanDerWaalsContact OE2-CB 3.3Å; E220-S255 WeakPolarHBondContact OE2-CB 3.43Å; E220-S255 PolarHBondContact OE2-OG 3.34Å; K253-S255 VanDerWaalsContact C-N 3.29Å; K253-S255 PolarHBondContact O-N 3.02Å; S255-Q259 VanDerWaalsContact O-CG 3.29Å; S255-Q259 WeakPolarHBondContact O-CG 3.45Å; S255-Q259 PolarHBondContact O-N 3.21Å; S255-Q259 PolarHBondContact O-NE2 3.01Å
256I91.3Very high89.1Confident0 Ų039 Ų390%021%0.207CC..Hα-helixtrans-85-40.9176.5-66.9175.6000110.6G218 E220 V223 A248 K253 E254 Q258 Q259 L260G218-I256 VanDerWaalsContact C-CD1 3.41Å; G218-I256 VanDerWaalsContact CA-CD1 3.46Å; E220-I256 HydrophobicContact CB-CD1 4.39Å; E220-I256 HydrophobicContact CB-CG1 4.19Å; E220-I256 HydrophobicContact CG-CG1 4.3Å; V223-I256 HydrophobicContact CG1-CG2 4.33Å; V223-I256 HydrophobicContact CG2-CD1 4.4Å; V223-I256 HydrophobicContact CG2-CG2 4.26Å; A248-I256 HydrophobicContact CB-CB 4.48Å; A248-I256 HydrophobicContact CB-CG2 3.65Å; K253-I256 HydrophobicContact CB-CB 4.49Å; K253-I256 HydrophobicContact CB-CD1 4.14Å; K253-I256 HydrophobicContact CB-CG1 4.28Å; K253-I256 HydrophobicContact CD-CD1 4.06Å; K253-I256 PolarHBondContact O-N 3.12Å; E254-I256 PolarHBondContact O-N 3.26Å; I256-Q258 VanDerWaalsContact C-N 3.28Å; I256-Q258 PolarHBondContact O-N 3.04Å; I256-Q259 PolarHBondContact O-N 2.88Å; I256-L260 HydrophobicContact CG2-CD1 3.9Å; I256-L260 HydrophobicContact CG2-CG 4.45Å; I256-L260 VanDerWaalsContact O-CG 3.24Å; I256-L260 WeakPolarHBondContact O-CG 3.36Å; I256-L260 PolarHBondContact O-N 3.41Å
257A90.3Very high88.8Confident1 Ų139.6 Ų39.61%0.00821%0.212CC..Hα-helixtrans-60.2-41.1172.200000111.2L245 K253 E254 L260 V261 V289 Y292L245-A257 HydrophobicContact CD1-CB 4.03Å; K253-A257 PolarHBondContact O-N 3.23Å; E254-A257 PolarHBondContact O-N 3.14Å; A257-L260 PolarHBondContact O-N 3.42Å; A257-V261 WeakPolarHBondContact O-CB 3.34Å; A257-V261 WeakPolarHBondContact O-CG2 3.45Å; A257-V261 PolarHBondContact O-N 2.62Å; A257-V289 HydrophobicContact CB-CG1 4.35Å; A257-Y292 HydrophobicContact CB-CD1 3.91Å; A257-Y292 HydrophobicContact CB-CE1 4.13Å
258Q90.8Very high88.5Confident61 Ų6141.3 Ų41.329%0.28522%0.22SC..Hα-helixtrans-54.2-58.1171.3-73.8169.9-1.900111.6E254 I256 L260 V261 E262 Y292E254-Q258 HydrophobicContact CG-CG 4.27Å; E254-Q258 WeakPolarHBondContact O-CG 3.39Å; E254-Q258 PolarHBondContact O-N 2.79Å; E254-Q258 PolarHBondContact OE1-NE2 3.46Å; I256-Q258 VanDerWaalsContact C-N 3.28Å; I256-Q258 PolarHBondContact O-N 3.04Å; Q258-L260 VanDerWaalsContact C-N 3.28Å; Q258-L260 PolarHBondContact O-N 2.99Å; Q258-V261 PolarHBondContact O-N 2.92Å; Q258-E262 VanDerWaalsContact O-CB 3.32Å; Q258-E262 WeakPolarHBondContact O-CB 3.5Å; Q258-E262 VanDerWaalsContact O-CG 3.26Å; Q258-E262 WeakPolarHBondContact O-CG 3.24Å; Q258-E262 PolarHBondContact O-N 3.25Å; Q258-Y292 WeakPolarHBondContact CA-OH 3.42Å; Q258-Y292 HydrophobicContact CB-CE2 4.46Å; Q258-Y292 HydrophobicContact CG-CD1 4.5Å; Q258-Y292 HydrophobicContact CG-CD2 3.86Å; Q258-Y292 HydrophobicContact CG-CE1 4.14Å; Q258-Y292 HydrophobicContact CG-CE2 3.47Å; Q258-Y292 VanDerWaalsContact CG-CE2 3.47Å; Q258-Y292 HydrophobicContact CG-CG 4.38Å
259Q91.4Very high88.1Confident12 Ų1244.9 Ų44.96%0.05623%0.234CC..Hα-helixtrans-60.5-34.1-178.3-75159.247.300114E220 R224 L227 S255 I256 R263E220-Q259 PolarHBondContact O-OE1 3.27Å; R224-Q259 HydrophobicContact CG-CG 4.44Å; L227-Q259 HydrophobicContact CD1-CB 4.17Å; S255-Q259 VanDerWaalsContact O-CG 3.29Å; S255-Q259 WeakPolarHBondContact O-CG 3.45Å; S255-Q259 PolarHBondContact O-N 3.21Å; S255-Q259 PolarHBondContact O-NE2 3.01Å; I256-Q259 PolarHBondContact O-N 2.88Å; Q259-R263 WeakPolarHBondContact O-CG 3.39Å; Q259-R263 PolarHBondContact O-N 2.8Å
260L91.4Very high87.9Confident0 Ų048.5 Ų48.50%026%0.256CS..Hα-helixtrans-71.4-46.4177.4-66.7168.5000110.5L211 V223 L227 V233 P244 L245 A248 I256 A257 Q258 R263 G264 A265L211-L260 HydrophobicContact CD1-CD2 4.17Å; L211-L260 HydrophobicContact CD2-CD2 4.2Å; L211-L260 HydrophobicContact CG-CD2 4.37Å; V223-L260 HydrophobicContact CG1-CD2 4.46Å; L227-L260 HydrophobicContact CD1-CD2 4.1Å; L227-L260 HydrophobicContact CD2-CD2 4.14Å; V233-L260 HydrophobicContact CG1-CB 4Å; V233-L260 HydrophobicContact CG1-CD2 3.51Å; V233-L260 HydrophobicContact CG1-CG 4.36Å; P244-L260 HydrophobicContact CB-CD1 4.32Å; P244-L260 HydrophobicContact CB-CD2 3.98Å; L245-L260 HydrophobicContact CB-CD1 4.45Å; L245-L260 HydrophobicContact CD1-CB 4.2Å; L245-L260 HydrophobicContact CD1-CD1 4.31Å; A248-L260 HydrophobicContact CB-CD1 3.79Å; I256-L260 HydrophobicContact CG2-CD1 3.9Å; I256-L260 HydrophobicContact CG2-CG 4.45Å; I256-L260 VanDerWaalsContact O-CG 3.24Å; I256-L260 WeakPolarHBondContact O-CG 3.36Å; I256-L260 PolarHBondContact O-N 3.41Å; A257-L260 PolarHBondContact O-N 3.42Å; Q258-L260 VanDerWaalsContact C-N 3.28Å; Q258-L260 PolarHBondContact O-N 2.99Å; L260-R263 CarbonylContact O-C 3.59Å; L260-R263 PolarHBondContact O-N 3.2Å; L260-R263 VanDerWaalsContact O-N 3.17Å; L260-G264 PolarHBondContact O-N 3.31Å; L260-A265 VanDerWaalsContact C-CB 3.48Å; L260-A265 HydrophobicContact CB-CB 3.95Å; L260-A265 WeakPolarHBondContact O-CB 3.11Å; L260-A265 PolarHBondContact O-N 3.29Å
261V89.4Confident87.8Confident28 Ų2845.7 Ų45.717%0.1724%0.241CC..Hα-helixtrans-67.5-39.2178.2173.40000111.9L245 A257 Q258 R263 G264 Y292 I296L245-V261 HydrophobicContact CD1-CG2 4.15Å; L245-V261 HydrophobicContact CD2-CG2 4.05Å; A257-V261 WeakPolarHBondContact O-CB 3.34Å; A257-V261 WeakPolarHBondContact O-CG2 3.45Å; A257-V261 PolarHBondContact O-N 2.62Å; Q258-V261 PolarHBondContact O-N 2.92Å; V261-R263 PolarHBondContact O-N 3.13Å; V261-G264 PolarHBondContact O-N 3.44Å; V261-Y292 HydrophobicContact CB-CE1 4.35Å; V261-Y292 HydrophobicContact CG2-CE1 4.18Å; V261-I296 HydrophobicContact CG1-CD1 4.13Å; V261-I296 HydrophobicContact CG1-CG2 4.29Å
262E88.9Confident87.7Confident142 Ų14248.9 Ų48.966%0.66426%0.259SS*.Hα-helixtrans-58.5-26.6171.9-76.8173.1-179.200113.2Q258Q258-E262 VanDerWaalsContact O-CB 3.32Å; Q258-E262 WeakPolarHBondContact O-CB 3.5Å; Q258-E262 VanDerWaalsContact O-CG 3.26Å; Q258-E262 WeakPolarHBondContact O-CG 3.24Å; Q258-E262 PolarHBondContact O-N 3.25Å
263R90Very high87.3Confident126 Ų12653.5 Ų53.548%0.47528%0.278SS..THydrogen-bonded Turntrans-9811.3175.3-60.9-59.7-172.385.65.4113.4L227 V233 Q259 L260 V261L227-R263 HydrophobicContact CB-CG 4.39Å; L227-R263 HydrophobicContact CD1-CG 4.19Å; L227-R263 HydrophobicContact CD2-CB 4.45Å; L227-R263 PolarHBondContact O-NH1 3.43Å; V233-R263 HydrophobicContact CG2-CB 4Å; Q259-R263 WeakPolarHBondContact O-CG 3.39Å; Q259-R263 PolarHBondContact O-N 2.8Å; L260-R263 CarbonylContact O-C 3.59Å; L260-R263 PolarHBondContact O-N 3.2Å; L260-R263 VanDerWaalsContact O-N 3.17Å; V261-R263 PolarHBondContact O-N 3.13Å
264G85.3Confident87Confident42 Ų4252.8 Ų52.843%0.43328%0.284SS..THydrogen-bonded Turntrans91.124.6172.400000115.7N234 L260 V261 D266N234-G264 PolarHBondContact ND2-O 3.38Å; L260-G264 PolarHBondContact O-N 3.31Å; V261-G264 PolarHBondContact O-N 3.44Å; G264-D266 PolarHBondContact O-N 3.39Å
265A88.3Confident86.6Confident4 Ų452.3 Ų52.33%0.03328%0.281CS..  trans-65.5126.1169.600000111.8V233 N234 L245 L260 P267V233-A265 HydrophobicContact CB-CB 4.48Å; V233-A265 HydrophobicContact CG1-CB 3.74Å; N234-A265 WeakPolarHBondContact OD1-CA 3.5Å; L245-A265 HydrophobicContact CB-CB 4.21Å; L245-A265 HydrophobicContact CD2-CB 4.13Å; L260-A265 VanDerWaalsContact C-CB 3.48Å; L260-A265 HydrophobicContact CB-CB 3.95Å; L260-A265 WeakPolarHBondContact O-CB 3.11Å; L260-A265 PolarHBondContact O-N 3.29Å; A265-P267 VanDerWaalsContact O-CD 3.26Å; A265-P267 WeakPolarHBondContact O-CD 2.75Å
266D84.4Confident86.4Confident98 Ų9851.1 Ų51.152%0.52427%0.273SS..  trans-68.8113.7175.8-76.5-35.1000111.4N234 G264 R269N234-D266 PolarHBondContact OD1-N 3.38Å; G264-D266 PolarHBondContact O-N 3.39Å; D266-R269 HydrophobicContact CB-CB 4.1Å
267P83.6Confident86.1Confident18 Ų1851.2 Ų51.212%0.11727%0.274CS..THydrogen-bonded Turntrans-78.9-28.4-17733.5-35.2000112.6L245 A265 R269 L293 I296 T297L245-P267 HydrophobicContact CD2-CB 4.2Å; A265-P267 VanDerWaalsContact O-CD 3.26Å; A265-P267 WeakPolarHBondContact O-CD 2.75Å; P267-R269 VanDerWaalsContact C-N 3.27Å; P267-R269 PolarHBondContact O-N 3.3Å; P267-L293 HydrophobicContact CB-CD2 4.34Å; P267-I296 HydrophobicContact CG-CG2 4.02Å; P267-T297 HydrophobicContact CB-CG2 4Å
268D83.1Confident85.9Confident39 Ų3951.4 Ų51.421%0.20927%0.274CS..THydrogen-bonded Turntrans-83.6-0.4-179.4-69.4-39.9000113.1V270 T297 T298 V299D268-V270 PolarHBondContact O-N 3Å; D268-T297 WeakPolarHBondContact OD1-CA 3.5Å; D268-T297 VanDerWaalsContact OD1-CB 3.25Å; D268-T297 WeakPolarHBondContact OD1-CB 3.37Å; D268-T298 VanDerWaalsContact CG-N 3.35Å; D268-T298 PolarHBondContact OD1-N 3.35Å; D268-T298 WeakPolarHBondContact OD2-CB 3.19Å; D268-T298 PolarHBondContact OD2-N 2.97Å; D268-T298 PolarHBondContact OD2-OG1 2.74Å; D268-V299 HydrophobicContact CB-CB 4.1Å; D268-V299 HydrophobicContact CB-CG2 3.74Å; D268-V299 WeakPolarHBondContact OD1-CB 3.13Å; D268-V299 PolarHBondContact OD1-N 3.44Å
269R84Confident85.6Confident75 Ų7549.7 Ų49.728%0.28327%0.266SS..  trans-62.4131.8177-164.5-167.6-149.9168.521.1111N234 F235 M246 D266 P267 T276N234-R269 PolarHBondContact O-NH1 3.05Å; N234-R269 PolarHBondContact O-NH2 3.3Å; F235-R269 PolarHBondContact O-NH1 2.96Å; M246-R269 HydrophobicContact CE-CB 4.46Å; M246-R269 WeakPolarHBondContact CE-O 3.45Å; D266-R269 HydrophobicContact CB-CB 4.1Å; P267-R269 VanDerWaalsContact C-N 3.27Å; P267-R269 PolarHBondContact O-N 3.3Å; R269-T276 WeakPolarHBondContact O-CA 3.23Å
270V84.8Confident85.3Confident78 Ų7849.7 Ų49.747%0.47327%0.267SS..BIsolated β-bridgetrans-97.3148.2172.4-66.10000112.4D268 K275 T276D268-V270 PolarHBondContact O-N 3Å; V270-K275 WeakPolarHBondContact CA-O 3.49Å; V270-T276 HydrophobicContact CG1-CG2 3.83Å
271N85.1Confident85.1Confident9 Ų949.7 Ų49.75%0.04827%0.267CS..  trans-90.1-175.5171.166.118.7000112.3G241 M246 L273 S274 K275G241-N271 WeakPolarHBondContact O-CB 3.39Å; M246-N271 HydrophobicContact CE-CB 4Å; M246-N271 HydrophobicContact SD-CB 3.79Å; N271-L273 PolarHBondContact O-N 3.05Å; N271-L273 VanDerWaalsContact O-N 3.1Å; N271-L273 WeakPolarHBondContact OD1-CA 3.49Å; N271-L273 WeakPolarHBondContact OD1-CB 3.46Å; N271-L273 PolarHBondContact OD1-N 3.24Å; N271-S274 WeakPolarHBondContact O-CA 3.3Å; N271-S274 PolarHBondContact O-N 2.93Å; N271-S274 PolarHBondContact OD1-N 3.2Å; N271-K275 PolarHBondContact N-O 2.94Å; N271-K275 PolarHBondContact OD1-N 3.2Å; N271-K275 VanDerWaalsContact OD1-N 3.12Å; N271-K275 PolarHBondContact OD1-O 3.13Å
272V84.5Confident84.8Confident97 Ų9751.7 Ų51.759%0.58828%0.275SS*.THydrogen-bonded Turntrans-60.9-20.8180173.70000113.1T240 S274T240-V272 WeakPolarHBondContact O-CB 3.3Å; T240-V272 PolarHBondContact O-N 3.34Å; V272-S274 VanDerWaalsContact C-N 3.3Å
273L78.2Confident84.5Confident120 Ų12050.8 Ų50.863%0.62827%0.271SS*.THydrogen-bonded Turntrans-90.912.4175.3-57.2178.4000113N271 K275N271-L273 PolarHBondContact O-N 3.05Å; N271-L273 VanDerWaalsContact O-N 3.1Å; N271-L273 WeakPolarHBondContact OD1-CA 3.49Å; N271-L273 WeakPolarHBondContact OD1-CB 3.46Å; N271-L273 PolarHBondContact OD1-N 3.24Å; L273-K275 VanDerWaalsContact C-N 3.27Å; L273-K275 HydrophobicContact CB-CG 4.26Å; L273-K275 PolarHBondContact O-N 3.3Å
274S80.7Confident84.2Confident74 Ų7448.4 Ų48.452%0.51727%0.267SS..SBendtrans53.440.9-175-58.50000113.3N271 V272N271-S274 WeakPolarHBondContact O-CA 3.3Å; N271-S274 PolarHBondContact O-N 2.93Å; N271-S274 PolarHBondContact OD1-N 3.2Å; V272-S274 VanDerWaalsContact C-N 3.3Å
275K81.6Confident84.2Confident48 Ų4855.3 Ų55.321%0.20929%0.285CS..  trans-114.9133.7176.3-58.6-165.3169.9175.10111.6V270 N271 L273 E279 L280V270-K275 WeakPolarHBondContact CA-O 3.49Å; N271-K275 PolarHBondContact N-O 2.94Å; N271-K275 PolarHBondContact OD1-N 3.2Å; N271-K275 VanDerWaalsContact OD1-N 3.12Å; N271-K275 PolarHBondContact OD1-O 3.13Å; L273-K275 VanDerWaalsContact C-N 3.27Å; L273-K275 HydrophobicContact CB-CG 4.26Å; L273-K275 PolarHBondContact O-N 3.3Å; K275-E279 HydrophobicContact CB-CB 4.1Å; K275-E279 WeakPolarHBondContact CG-OE2 3.43Å; K275-L280 HydrophobicContact CB-CD2 4.38Å; K275-L280 HydrophobicContact CB-CG 4.49Å; K275-L280 HydrophobicContact CD-CD2 4.13Å
276T87.8Confident84Confident2 Ų256.6 Ų56.61%0.01229%0.29CS..BIsolated β-bridgetrans-76.9167.3169.662.30000111.6R269 V270 F278 E279 L280 V299R269-T276 WeakPolarHBondContact O-CA 3.23Å; V270-T276 HydrophobicContact CG1-CG2 3.83Å; T276-F278 PolarHBondContact O-N 3.43Å; T276-F278 PolarHBondContact OG1-N 2.98Å; T276-E279 PolarHBondContact O-N 3.48Å; T276-E279 PolarHBondContact OG1-N 3.21Å; T276-L280 PolarHBondContact O-N 3.44Å; T276-V299 HydrophobicContact CG2-CG1 4.19Å
277A85.4Confident84Confident2 Ų261.8 Ų61.82%0.01730%0.303CS..Hα-helixtrans-57.3-33.3170.600000112L245 M246 T249 L280 A281 L293L245-A277 HydrophobicContact CD2-CB 4.32Å; L245-A277 HydrophobicContact CG-CB 4.13Å; M246-A277 HydrophobicContact CG-CB 4.18Å; T249-A277 HydrophobicContact CG2-CB 4.12Å; T249-A277 WeakPolarHBondContact CG2-O 3.23Å; A277-L280 PolarHBondContact O-N 2.88Å; A277-A281 PolarHBondContact O-N 2.68Å; A277-L293 HydrophobicContact CB-CD1 3.99Å
278F85.9Confident84.1Confident4 Ų466.5 Ų66.52%0.01832%0.323CS..Hα-helixtrans-67.3-43.2176.4-177.6-108.9000113.1T276 L280 A281 M282 K290 L293 D294 T297 P301T276-F278 PolarHBondContact O-N 3.43Å; T276-F278 PolarHBondContact OG1-N 2.98Å; F278-L280 VanDerWaalsContact C-N 3.28Å; F278-L280 PolarHBondContact O-N 3.29Å; F278-A281 PolarHBondContact O-N 3.2Å; F278-M282 HydrophobicContact CD1-CE 4.38Å; F278-M282 HydrophobicContact CD1-CG 4.4Å; F278-M282 HydrophobicContact CD1-SD 4.42Å; F278-M282 HydrophobicContact CE1-CE 4.18Å; F278-M282 HydrophobicContact CE1-CG 4.19Å; F278-M282 HydrophobicContact CE1-SD 3.82Å; F278-M282 HydrophobicContact CZ-CG 4.32Å; F278-M282 HydrophobicContact CZ-SD 4.14Å; F278-M282 WeakPolarHBondContact O-CG 3.4Å; F278-M282 PolarHBondContact O-N 2.65Å; F278-K290 HydrophobicContact CD2-CG 4.06Å; F278-K290 HydrophobicContact CE2-CD 4.21Å; F278-K290 HydrophobicContact CE2-CG 3.39Å; F278-K290 HydrophobicContact CZ-CD 4.41Å; F278-K290 HydrophobicContact CZ-CG 4.06Å; F278-L293 HydrophobicContact CB-CB 4.34Å; F278-L293 HydrophobicContact CD2-CB 3.81Å; F278-D294 HydrophobicContact CE2-CB 3.62Å; F278-D294 HydrophobicContact CZ-CB 4.05Å; F278-D294 WeakPolarHBondContact CZ-OD1 3.14Å; F278-T297 HydrophobicContact CB-CG2 3.96Å; F278-P301 HydrophobicContact CD1-CG 3.79Å; F278-P301 HydrophobicContact CE1-CG 3.64Å
279E83.4Confident84.3Confident25 Ų2564.6 Ų64.612%0.11731%0.313CS..Hα-helixtrans-59.2-39.6173.6-77.5-170.4-154.300112K275 T276 M282 Q283 P301 R307K275-E279 HydrophobicContact CB-CB 4.1Å; K275-E279 WeakPolarHBondContact CG-OE2 3.43Å; T276-E279 PolarHBondContact O-N 3.48Å; T276-E279 PolarHBondContact OG1-N 3.21Å; E279-M282 PolarHBondContact O-N 2.89Å; E279-Q283 WeakPolarHBondContact O-CB 3.45Å; E279-Q283 PolarHBondContact O-N 3.11Å; E279-P301 HydrophobicContact CG-CB 3.65Å; E279-R307 IonicContact OE1-NH1 2.72Å; E279-R307 IonicContact OE2-CZ 3.11Å; E279-R307 IonicContact OE2-NH1 3.76Å; E279-R307 PolarHBondContact OE2-NH1 2.74Å
280L85.9Confident84.3Confident13 Ų1364.7 Ų64.77%0.06832%0.315CS..Hα-helixtrans-65.4-45.9175.1-62.8175.4000111.5W242 M246 K275 T276 A277 F278 M282 Q283 L284W242-L280 HydrophobicContact CH2-CD1 4.29Å; W242-L280 HydrophobicContact CZ2-CD1 4.16Å; W242-L280 HydrophobicContact CZ2-CD2 4.43Å; M246-L280 HydrophobicContact CB-CD1 3.92Å; M246-L280 HydrophobicContact CG-CD1 3.97Å; M246-L280 HydrophobicContact SD-CD1 4.29Å; K275-L280 HydrophobicContact CB-CD2 4.38Å; K275-L280 HydrophobicContact CB-CG 4.49Å; K275-L280 HydrophobicContact CD-CD2 4.13Å; T276-L280 PolarHBondContact O-N 3.44Å; A277-L280 PolarHBondContact O-N 2.88Å; F278-L280 VanDerWaalsContact C-N 3.28Å; F278-L280 PolarHBondContact O-N 3.29Å; L280-M282 VanDerWaalsContact C-N 3.3Å; L280-M282 PolarHBondContact O-N 2.75Å; L280-Q283 PolarHBondContact O-N 3.26Å; L280-L284 WeakPolarHBondContact O-CB 3.41Å; L280-L284 VanDerWaalsContact O-CG 3.27Å; L280-L284 WeakPolarHBondContact O-CG 3.44Å; L280-L284 PolarHBondContact O-N 2.85Å
281A87.3Confident84.3Confident0 Ų063.8 Ų63.80%032%0.316CS..Hα-helixtrans-60.8-36.7175.900000112.7T249 A277 F278 K285 Q286 V289 K290 L293T249-A281 HydrophobicContact CG2-CB 4.35Å; A277-A281 PolarHBondContact O-N 2.68Å; F278-A281 PolarHBondContact O-N 3.2Å; A281-K285 PolarHBondContact O-N 3.09Å; A281-K285 VanDerWaalsContact O-N 3.07Å; A281-Q286 PolarHBondContact O-N 3.12Å; A281-V289 HydrophobicContact CB-CG1 4.12Å; A281-K290 HydrophobicContact CB-CB 4.45Å; A281-L293 HydrophobicContact CB-CD1 4.39Å
282M83.1Confident84.4Confident70 Ų7065 Ų6535%0.34532%0.32SS..Hα-helixtrans-65.7-49.6171.7-69.4-152.5-59.700112.2F278 E279 L280 L284 K285 K290 P301F278-M282 HydrophobicContact CD1-CE 4.38Å; F278-M282 HydrophobicContact CD1-CG 4.4Å; F278-M282 HydrophobicContact CD1-SD 4.42Å; F278-M282 HydrophobicContact CE1-CE 4.18Å; F278-M282 HydrophobicContact CE1-CG 4.19Å; F278-M282 HydrophobicContact CE1-SD 3.82Å; F278-M282 HydrophobicContact CZ-CG 4.32Å; F278-M282 HydrophobicContact CZ-SD 4.14Å; F278-M282 WeakPolarHBondContact O-CG 3.4Å; F278-M282 PolarHBondContact O-N 2.65Å; E279-M282 PolarHBondContact O-N 2.89Å; L280-M282 VanDerWaalsContact C-N 3.3Å; L280-M282 PolarHBondContact O-N 2.75Å; M282-L284 VanDerWaalsContact C-N 3.26Å; M282-L284 PolarHBondContact O-N 3.21Å; M282-K285 PolarHBondContact O-N 2.92Å; M282-K290 HydrophobicContact CG-CD 3.92Å; M282-K290 HydrophobicContact CG-CG 4.21Å; M282-P301 HydrophobicContact CE-CB 4.03Å; M282-P301 HydrophobicContact CE-CG 3.64Å
283Q83Confident84.4Confident122 Ų12260.3 Ų60.357%0.5729%0.292SS*.Hα-helixtrans-61.1-36.8179.9-175.1176-21.100111.8E279 L280 K285E279-Q283 WeakPolarHBondContact O-CB 3.45Å; E279-Q283 PolarHBondContact O-N 3.11Å; L280-Q283 PolarHBondContact O-N 3.26Å; Q283-K285 VanDerWaalsContact C-N 3.31Å
284L83.4Confident84.6Confident77 Ų7759.1 Ų59.140%0.40329%0.287SS..THydrogen-bonded Turntrans-84.70177.1-62.3170000113.6T249 L250 L280 M282 Q286T249-L284 WeakPolarHBondContact O-CD1 3.3Å; L250-L284 HydrophobicContact CD2-CD1 3.9Å; L280-L284 WeakPolarHBondContact O-CB 3.41Å; L280-L284 VanDerWaalsContact O-CG 3.27Å; L280-L284 WeakPolarHBondContact O-CG 3.44Å; L280-L284 PolarHBondContact O-N 2.85Å; M282-L284 VanDerWaalsContact C-N 3.26Å; M282-L284 PolarHBondContact O-N 3.21Å; L284-Q286 VanDerWaalsContact C-N 3.27Å; L284-Q286 HydrophobicContact CB-CG 4.24Å; L284-Q286 PolarHBondContact O-N 2.73Å
285K84.3Confident84.7Confident187 Ų18760 Ų6081%0.81329%0.293SS*.THydrogen-bonded Turntrans58.229.1176.4-54.2-177.8-178.2179.30114.8A281 M282 Q283 R287A281-K285 PolarHBondContact O-N 3.09Å; A281-K285 VanDerWaalsContact O-N 3.07Å; M282-K285 PolarHBondContact O-N 2.92Å; Q283-K285 VanDerWaalsContact C-N 3.31Å; K285-R287 PolarHBondContact O-N 3.25Å
286Q84.4Confident84.7Confident30 Ų3060.5 Ų60.514%0.1430%0.297CS..  trans-83.298.1-176.8-68.9-179.83.600111.2T249 G252 A281 L284 E288 V289 K290T249-Q286 PolarHBondContact O-NE2 2.94Å; T249-Q286 PolarHBondContact O-OE1 3.43Å; G252-Q286 VanDerWaalsContact CA-CD 3.42Å; G252-Q286 VanDerWaalsContact CA-OE1 3.29Å; A281-Q286 PolarHBondContact O-N 3.12Å; L284-Q286 VanDerWaalsContact C-N 3.27Å; L284-Q286 HydrophobicContact CB-CG 4.24Å; L284-Q286 PolarHBondContact O-N 2.73Å; Q286-E288 PolarHBondContact O-N 3.32Å; Q286-V289 HydrophobicContact CB-CB 4.35Å; Q286-K290 WeakPolarHBondContact O-CB 3.36Å; Q286-K290 PolarHBondContact O-N 3.45Å
287R84.8Confident84Confident208 Ų20861 Ų6179%0.78530%0.3SS*.Hα-helixtrans-59.1-43.8-172.8-168-170.9-61130.9-0.7113.8K285 A291K285-R287 PolarHBondContact O-N 3.25Å; R287-A291 WeakPolarHBondContact O-CB 3.14Å; R287-A291 PolarHBondContact O-N 3.17Å
288E86Confident83.1Confident116 Ų11666.5 Ų66.554%0.54233%0.334SS..Hα-helixtrans-70.5-59.4-173.7-66.6160.6-152.300110.6E254 Q286 K290 A291 Y292E254-E288 HydrophobicContact CB-CB 4.19Å; Q286-E288 PolarHBondContact O-N 3.32Å; E288-K290 PolarHBondContact O-N 2.94Å; E288-A291 PolarHBondContact O-N 3.28Å; E288-Y292 PolarHBondContact O-N 3.22Å
289V86.3Confident82.1Confident0 Ų069.6 Ų69.60%035%0.353CS..Hα-helixtrans-56.3-37.2173.9-179.80000112.1T249 A257 A281 Q286 L293T249-V289 HydrophobicContact CG2-CG1 4.1Å; A257-V289 HydrophobicContact CB-CG1 4.35Å; A281-V289 HydrophobicContact CB-CG1 4.12Å; Q286-V289 HydrophobicContact CB-CB 4.35Å; V289-L293 HydrophobicContact CG1-CD1 3.84Å; V289-L293 HydrophobicContact CG1-CG 4.35Å; V289-L293 WeakPolarHBondContact O-CB 3.32Å; V289-L293 WeakPolarHBondContact O-CG 3.38Å; V289-L293 PolarHBondContact O-N 3.21Å
290K85.3Confident80.9Confident76 Ų7678.5 Ų78.533%0.3339%0.385SS..Hα-helixtrans-61-54.5172.3-173.7-165.8173.4-178.40110.9F278 A281 M282 Q286 E288 Y292 L293 D294F278-K290 HydrophobicContact CD2-CG 4.06Å; F278-K290 HydrophobicContact CE2-CD 4.21Å; F278-K290 HydrophobicContact CE2-CG 3.39Å; F278-K290 HydrophobicContact CZ-CD 4.41Å; F278-K290 HydrophobicContact CZ-CG 4.06Å; A281-K290 HydrophobicContact CB-CB 4.45Å; M282-K290 HydrophobicContact CG-CD 3.92Å; M282-K290 HydrophobicContact CG-CG 4.21Å; Q286-K290 WeakPolarHBondContact O-CB 3.36Å; Q286-K290 PolarHBondContact O-N 3.45Å; E288-K290 PolarHBondContact O-N 2.94Å; K290-Y292 VanDerWaalsContact C-N 3.25Å; K290-Y292 PolarHBondContact O-N 2.72Å; K290-L293 PolarHBondContact O-N 3.02Å; K290-D294 WeakPolarHBondContact O-CB 3.34Å; K290-D294 PolarHBondContact O-N 2.83Å
291A84.9Confident79.5Confident60 Ų6079.1 Ų79.150%0.49639%0.39SS..Hα-helixtrans-60.3-36.7-174.600000112.4R287 E288R287-A291 WeakPolarHBondContact O-CB 3.14Å; R287-A291 PolarHBondContact O-N 3.17Å; E288-A291 PolarHBondContact O-N 3.28Å
292Y85.4Confident77.8Confident33 Ų3384.8 Ų84.813%0.12942%0.417CS..Hα-helixtrans-63.6-55.8171.7-179.4-106.8000111.9E254 A257 Q258 V261 E288 K290 D294 S295 I296E254-Y292 HydrophobicContact CG-CD2 4.28Å; E254-Y292 HydrophobicContact CG-CG 3.91Å; A257-Y292 HydrophobicContact CB-CD1 3.91Å; A257-Y292 HydrophobicContact CB-CE1 4.13Å; Q258-Y292 WeakPolarHBondContact CA-OH 3.42Å; Q258-Y292 HydrophobicContact CB-CE2 4.46Å; Q258-Y292 HydrophobicContact CG-CD1 4.5Å; Q258-Y292 HydrophobicContact CG-CD2 3.86Å; Q258-Y292 HydrophobicContact CG-CE1 4.14Å; Q258-Y292 HydrophobicContact CG-CE2 3.47Å; Q258-Y292 VanDerWaalsContact CG-CE2 3.47Å; Q258-Y292 HydrophobicContact CG-CG 4.38Å; V261-Y292 HydrophobicContact CB-CE1 4.35Å; V261-Y292 HydrophobicContact CG2-CE1 4.18Å; E288-Y292 PolarHBondContact O-N 3.22Å; K290-Y292 VanDerWaalsContact C-N 3.25Å; K290-Y292 PolarHBondContact O-N 2.72Å; Y292-D294 VanDerWaalsContact C-N 3.34Å; Y292-D294 PolarHBondContact O-N 2.94Å; Y292-S295 PolarHBondContact O-N 2.82Å; Y292-S295 VanDerWaalsContact O-N 3.12Å; Y292-S295 PolarHBondContact O-OG 2.94Å; Y292-I296 HydrophobicContact CD1-CD1 4.3Å; Y292-I296 HydrophobicContact CD2-CD1 4.25Å; Y292-I296 HydrophobicContact CE1-CD1 3.68Å; Y292-I296 HydrophobicContact CE2-CD1 3.59Å; Y292-I296 VanDerWaalsContact OH-CD1 3.3Å; Y292-I296 WeakPolarHBondContact OH-CD1 3.45Å
293L84.4Confident76.1Confident0 Ų085.4 Ų85.40%043%0.425CS..Hα-helixtrans-63.1-35.1-178.2-70.7176.3000113.1L245 T249 P267 A277 F278 A281 V289 K290 S295 I296 T297L245-L293 HydrophobicContact CD2-CD2 4.45Å; T249-L293 HydrophobicContact CG2-CD1 4.39Å; P267-L293 HydrophobicContact CB-CD2 4.34Å; A277-L293 HydrophobicContact CB-CD1 3.99Å; F278-L293 HydrophobicContact CB-CB 4.34Å; F278-L293 HydrophobicContact CD2-CB 3.81Å; A281-L293 HydrophobicContact CB-CD1 4.39Å; V289-L293 HydrophobicContact CG1-CD1 3.84Å; V289-L293 HydrophobicContact CG1-CG 4.35Å; V289-L293 WeakPolarHBondContact O-CB 3.32Å; V289-L293 WeakPolarHBondContact O-CG 3.38Å; V289-L293 PolarHBondContact O-N 3.21Å; K290-L293 PolarHBondContact O-N 3.02Å; L293-S295 PolarHBondContact O-N 3.24Å; L293-S295 VanDerWaalsContact O-N 3.13Å; L293-I296 PolarHBondContact O-N 2.71Å; L293-T297 PolarHBondContact O-N 3.29Å; L293-T297 PolarHBondContact O-OG1 2.9Å; L293-T297 VanDerWaalsContact O-OG1 3.05Å
294D83.4Confident74.6Confident95 Ų9583.9 Ų83.951%0.50842%0.42SS..Hα-helixtrans-55.6-29.5175.6-153.227.4000112.4F278 K290 Y292F278-D294 HydrophobicContact CE2-CB 3.62Å; F278-D294 HydrophobicContact CZ-CB 4.05Å; F278-D294 WeakPolarHBondContact CZ-OD1 3.14Å; K290-D294 WeakPolarHBondContact O-CB 3.34Å; K290-D294 PolarHBondContact O-N 2.83Å; Y292-D294 VanDerWaalsContact C-N 3.34Å; Y292-D294 PolarHBondContact O-N 2.94Å
295S83.1Confident73Confident93 Ų9385 Ų8565%0.6543%0.427SS*.THydrogen-bonded Turntrans-85.7-6.3-179.973.50000114.4Y292 L293Y292-S295 PolarHBondContact O-N 2.82Å; Y292-S295 VanDerWaalsContact O-N 3.12Å; Y292-S295 PolarHBondContact O-OG 2.94Å; L293-S295 PolarHBondContact O-N 3.24Å; L293-S295 VanDerWaalsContact O-N 3.13Å
296I80.7Confident71.4Confident57 Ų5782.3 Ų82.329%0.29242%0.417SS..THydrogen-bonded Turntrans-128.3-37.5-170.7-52.4-177.6000112.7V261 P267 Y292 L293 T298V261-I296 HydrophobicContact CG1-CD1 4.13Å; V261-I296 HydrophobicContact CG1-CG2 4.29Å; P267-I296 HydrophobicContact CG-CG2 4.02Å; Y292-I296 HydrophobicContact CD1-CD1 4.3Å; Y292-I296 HydrophobicContact CD2-CD1 4.25Å; Y292-I296 HydrophobicContact CE1-CD1 3.68Å; Y292-I296 HydrophobicContact CE2-CD1 3.59Å; Y292-I296 VanDerWaalsContact OH-CD1 3.3Å; Y292-I296 WeakPolarHBondContact OH-CD1 3.45Å; L293-I296 PolarHBondContact O-N 2.71Å; I296-T298 PolarHBondContact O-N 3.47Å
297T73.8Confident69.9Low13 Ų1386.5 Ų86.58%0.0843%0.432CS..  trans-64121.2178.448.20000111.4P267 D268 F278 L293P267-T297 HydrophobicContact CB-CG2 4Å; D268-T297 WeakPolarHBondContact OD1-CA 3.5Å; D268-T297 VanDerWaalsContact OD1-CB 3.25Å; D268-T297 WeakPolarHBondContact OD1-CB 3.37Å; F278-T297 HydrophobicContact CB-CG2 3.96Å; L293-T297 PolarHBondContact O-N 3.29Å; L293-T297 PolarHBondContact O-OG1 2.9Å; L293-T297 VanDerWaalsContact O-OG1 3.05Å
298T66.3Low68.3Low117 Ų11783.5 Ų83.572%0.71842%0.424SS*.SBendtrans-79.4-31.1171.471.60000111.1D268 I296 R300D268-T298 VanDerWaalsContact CG-N 3.35Å; D268-T298 PolarHBondContact OD1-N 3.35Å; D268-T298 WeakPolarHBondContact OD2-CB 3.19Å; D268-T298 PolarHBondContact OD2-N 2.97Å; D268-T298 PolarHBondContact OD2-OG1 2.74Å; I296-T298 PolarHBondContact O-N 3.47Å; T298-R300 PolarHBondContact O-N 3.13Å
299V64.1Low66.8Low70 Ų7083.4 Ų83.442%0.42442%0.419SS..SBendtrans-81.186.6173.5-178.90000108.5D268 T276D268-V299 HydrophobicContact CB-CB 4.1Å; D268-V299 HydrophobicContact CB-CG2 3.74Å; D268-V299 WeakPolarHBondContact OD1-CB 3.13Å; D268-V299 PolarHBondContact OD1-N 3.44Å; T276-V299 HydrophobicContact CG2-CG1 4.19Å
300R59.7Low65.4Low211 Ų21186 Ų8680%0.79644%0.435SS*.PPolyproline II helixtrans-57.7138.2165.7-68.6-175.4173.1-159-5.8109.2T298 Q302T298-R300 PolarHBondContact O-N 3.13Å; R300-Q302 PolarHBondContact O-N 2.89Å
301P55.8Low64.6Low26 Ų2685.9 Ų85.917%0.16944%0.439CS..PPolyproline II helixtrans-64.1139.917730.4-35.4000109F278 E279 M282 T303F278-P301 HydrophobicContact CD1-CG 3.79Å; F278-P301 HydrophobicContact CE1-CG 3.64Å; E279-P301 HydrophobicContact CG-CB 3.65Å; M282-P301 HydrophobicContact CE-CB 4.03Å; M282-P301 HydrophobicContact CE-CG 3.64Å; P301-T303 PolarHBondContact O-N 3.08Å
302Q52.5Low64.1Low119 Ų11983 Ų8356%0.55642%0.415SS*.PPolyproline II helixtrans-55131.3164.2-70.6176.5-85.300107.7R300 E306R300-Q302 PolarHBondContact O-N 2.89Å; Q302-E306 WeakPolarHBondContact CB-OE2 3.27Å; Q302-E306 PolarHBondContact NE2-OE2 3.45Å
303T47.2Very low63.7Low84 Ų8482.8 Ų82.852%0.51542%0.415SS..PPolyproline II helixtrans-66.2150.5-171.459.60000110.5P301 D305 E306P301-T303 PolarHBondContact O-N 3.08Å; T303-D305 WeakPolarHBondContact CB-OD2 3.16Å; T303-D305 PolarHBondContact O-N 3.48Å; T303-D305 PolarHBondContact OG1-OD2 3.4Å; T303-E306 PolarHBondContact O-N 3.06Å
304D49.9Very low63.2Low89 Ų8985.1 Ų85.148%0.47643%0.431SS..THydrogen-bonded Turntrans-55.3-21.6-175.7-144.7-3.2000111.6E306 R307 K308D304-E306 VanDerWaalsContact C-N 3.28Å; D304-E306 PolarHBondContact O-N 3.48Å; D304-R307 CarbonylContact O-C 3.58Å; D304-R307 PolarHBondContact O-N 2.84Å; D304-K308 HydrophobicContact CB-CD 4.44Å; D304-K308 VanDerWaalsContact CG-CE 3.5Å; D304-K308 VanDerWaalsContact O-CB 3.3Å; D304-K308 WeakPolarHBondContact O-CB 3.46Å; D304-K308 PolarHBondContact O-N 3.09Å; D304-K308 WeakPolarHBondContact OD1-CD 3.48Å; D304-K308 VanDerWaalsContact OD1-CE 3.27Å; D304-K308 WeakPolarHBondContact OD1-CE 3.41Å; D304-K308 IonicContact OD1-NZ 2.62Å; D304-K308 WeakPolarHBondContact OD2-CE 3.17Å; D304-K308 IonicContact OD2-NZ 3.25Å; D304-K308 PolarHBondContact OD2-NZ 2.87Å
305D49.9Very low63Low101 Ų10180.6 Ų80.654%0.5441%0.407SS..Hα-helixtrans-53.1-37172.2-46.5-70.5000113.8T303T303-D305 WeakPolarHBondContact CB-OD2 3.16Å; T303-D305 PolarHBondContact O-N 3.48Å; T303-D305 PolarHBondContact OG1-OD2 3.4Å
306E52.2Low62.9Low130 Ų13076.5 Ų76.561%0.60738%0.377SS*.Hα-helixtrans-78.1-19.8177.9-66.8-170.9160.200113.1Q302 T303 D304Q302-E306 WeakPolarHBondContact CB-OE2 3.27Å; Q302-E306 PolarHBondContact NE2-OE2 3.45Å; T303-E306 PolarHBondContact O-N 3.06Å; D304-E306 VanDerWaalsContact C-N 3.28Å; D304-E306 PolarHBondContact O-N 3.48Å
307R52.7Low62.7Low119 Ų11982.5 Ų82.545%0.44940%0.401SS..Hα-helixtrans-112.4-5-177.5-70.4-180176.5166.1-1.8114.1E279 D304E279-R307 IonicContact OE1-NH1 2.72Å; E279-R307 IonicContact OE2-CZ 3.11Å; E279-R307 IonicContact OE2-NH1 3.76Å; E279-R307 PolarHBondContact OE2-NH1 2.74Å; D304-R307 CarbonylContact O-C 3.58Å; D304-R307 PolarHBondContact O-N 2.84Å
308K51.8Low62.7Low145 Ų14588.3 Ų88.363%0.6343%0.431SS*.Hα-helixtrans-115.2-12.2177.8-81.2-177.7178.3164.40116.2D304 P310D304-K308 HydrophobicContact CB-CD 4.44Å; D304-K308 VanDerWaalsContact CG-CE 3.5Å; D304-K308 VanDerWaalsContact O-CB 3.3Å; D304-K308 WeakPolarHBondContact O-CB 3.46Å; D304-K308 PolarHBondContact O-N 3.09Å; D304-K308 WeakPolarHBondContact OD1-CD 3.48Å; D304-K308 VanDerWaalsContact OD1-CE 3.27Å; D304-K308 WeakPolarHBondContact OD1-CE 3.41Å; D304-K308 IonicContact OD1-NZ 2.62Å; D304-K308 WeakPolarHBondContact OD2-CE 3.17Å; D304-K308 IonicContact OD2-NZ 3.25Å; D304-K308 PolarHBondContact OD2-NZ 2.87Å; K308-P310 VanDerWaalsContact O-CD 3.26Å; K308-P310 WeakPolarHBondContact O-CD 3.43Å
309R52.7Low63.1Low114 Ų11485 Ų8543%0.4342%0.421SS..SBendtrans-61.4119.4160.9-75.3-177.8-178.2168.39.1107.1D311 D331R309-D311 PolarHBondContact O-N 3.27Å; R309-D331 IonicContact CZ-OD2 2.94Å; R309-D331 IonicContact NH1-OD2 3.21Å; R309-D331 PolarHBondContact NH1-OD2 3.07Å
310P58.6Low63.9Low53 Ų5385.2 Ų85.234%0.34442%0.419SS..  trans-63.9115171.921.8-23.7000106.7K308 V312 L323 I327K308-P310 VanDerWaalsContact O-CD 3.26Å; K308-P310 WeakPolarHBondContact O-CD 3.43Å; P310-V312 PolarHBondContact O-N 2.71Å; P310-L323 HydrophobicContact CB-CD2 4.4Å; P310-L323 HydrophobicContact CG-CD1 3.95Å; P310-L323 HydrophobicContact CG-CD2 4.49Å; P310-L323 HydrophobicContact CG-CG 4.43Å; P310-I327 HydrophobicContact CB-CD1 4.28Å; P310-I327 HydrophobicContact CG-CD1 3.97Å; P310-I327 HydrophobicContact CG-CG1 3.93Å; P310-I327 WeakPolarHBondContact O-CD1 3.37Å
311D67.3Low64.7Low75 Ų7577 Ų7740%0.40139%0.394SS..  trans-51.7132.7178.8172.36.8000109.4R309 F313 S314 A315R309-D311 PolarHBondContact O-N 3.27Å; D311-F313 PolarHBondContact O-N 3.2Å; D311-F313 VanDerWaalsContact O-N 3.13Å; D311-F313 WeakPolarHBondContact OD1-CD2 3.36Å; D311-F313 PolarHBondContact OD1-N 3.39Å; D311-S314 PolarHBondContact N-OG 3.48Å; D311-S314 WeakPolarHBondContact O-CA 3.41Å; D311-S314 WeakPolarHBondContact O-CB 3.3Å; D311-S314 PolarHBondContact O-N 3Å; D311-S314 PolarHBondContact O-OG 2.89Å; D311-A315 PolarHBondContact O-N 3.28Å; D311-A315 VanDerWaalsContact O-N 3.09Å
312V73.9Confident65.8Low0 Ų080.1 Ų80.10%041%0.407CS..Hα-helixtrans-50.7-37175.8174.70000111.1P310 S314 A315 L316 V324 I327 L328 Q334 P345 M361P310-V312 PolarHBondContact O-N 2.71Å; V312-S314 VanDerWaalsContact C-N 3.31Å; V312-S314 PolarHBondContact O-N 2.98Å; V312-A315 PolarHBondContact O-N 3.03Å; V312-L316 HydrophobicContact CG1-CD1 3.76Å; V312-L316 HydrophobicContact CG1-CG 4.15Å; V312-L316 VanDerWaalsContact O-CB 3.32Å; V312-L316 WeakPolarHBondContact O-CB 3.43Å; V312-L316 WeakPolarHBondContact O-CG 3.32Å; V312-L316 PolarHBondContact O-N 3.11Å; V312-V324 HydrophobicContact CG1-CG1 4.15Å; V312-I327 HydrophobicContact CG2-CB 4.24Å; V312-I327 HydrophobicContact CG2-CD1 4.49Å; V312-I327 HydrophobicContact CG2-CG2 3.51Å; V312-L328 HydrophobicContact CG2-CD2 3.82Å; V312-L328 HydrophobicContact CG2-CG 4.47Å; V312-Q334 HydrophobicContact CG2-CB 3.88Å; V312-P345 HydrophobicContact CG1-CB 3.8Å; V312-P345 HydrophobicContact CG1-CG 4.17Å; V312-M361 HydrophobicContact CG1-CE 3.95Å
313F77.9Confident67Low28 Ų2876.8 Ų76.812%0.12339%0.392CS..Hα-helixtrans-64.3-33.8175.1-62.5-68.3000113D311 K317 S337 N339 P345 M348D311-F313 PolarHBondContact O-N 3.2Å; D311-F313 VanDerWaalsContact O-N 3.13Å; D311-F313 WeakPolarHBondContact OD1-CD2 3.36Å; D311-F313 PolarHBondContact OD1-N 3.39Å; F313-K317 VanDerWaalsContact O-CB 3.24Å; F313-K317 WeakPolarHBondContact O-CB 3.42Å; F313-K317 PolarHBondContact O-N 3.09Å; F313-S337 WeakPolarHBondContact CE2-OG 3.4Å; F313-N339 HydrophobicContact CD1-CB 4.32Å; F313-N339 HydrophobicContact CD2-CB 4.36Å; F313-N339 HydrophobicContact CE1-CB 4.05Å; F313-N339 HydrophobicContact CE2-CB 4.12Å; F313-N339 HydrophobicContact CG-CB 4.47Å; F313-N339 HydrophobicContact CZ-CB 3.96Å; F313-P345 HydrophobicContact CE1-CG 4.01Å; F313-P345 HydrophobicContact CZ-CG 3.87Å; F313-M348 HydrophobicContact CD1-CG 4.09Å; F313-M348 HydrophobicContact CE1-CG 4.23Å
314S74.7Confident68.5Low49 Ų4972.8 Ų72.834%0.34337%0.368SS..Hα-helixtrans-70.6-42.9175.878.10000112D311 V312 K317 L318D311-S314 PolarHBondContact N-OG 3.48Å; D311-S314 WeakPolarHBondContact O-CA 3.41Å; D311-S314 WeakPolarHBondContact O-CB 3.3Å; D311-S314 PolarHBondContact O-N 3Å; D311-S314 PolarHBondContact O-OG 2.89Å; V312-S314 VanDerWaalsContact C-N 3.31Å; V312-S314 PolarHBondContact O-N 2.98Å; S314-K317 PolarHBondContact O-N 3.2Å; S314-L318 WeakPolarHBondContact O-CG 3.48Å; S314-L318 PolarHBondContact O-N 3.31Å; S314-L318 VanDerWaalsContact O-N 3.11Å
315A78.6Confident69.9Low0 Ų070.6 Ų70.60%035%0.354CS..Hα-helixtrans-67.6-40.4177.700000112D311 V312 L318 G319 N320 L323 V324 I327D311-A315 PolarHBondContact O-N 3.28Å; D311-A315 VanDerWaalsContact O-N 3.09Å; V312-A315 PolarHBondContact O-N 3.03Å; A315-L318 PolarHBondContact O-N 3.24Å; A315-G319 PolarHBondContact O-N 2.87Å; A315-N320 PolarHBondContact O-N 2.66Å; A315-N320 VanDerWaalsContact O-N 3.14Å; A315-L323 HydrophobicContact CB-CB 4.26Å; A315-L323 HydrophobicContact CB-CD2 3.78Å; A315-L323 HydrophobicContact CB-CG 3.87Å; A315-V324 HydrophobicContact CB-CG2 3.55Å; A315-I327 HydrophobicContact CB-CD1 3.69Å
316L80.1Confident71.3Confident6 Ų669.4 Ų69.43%0.03135%0.348CS..Hα-helixtrans-61.3-45.4172-75.5169.9000112.3V312 L318 G319 V324 P345 M348 A349 V357 M361V312-L316 HydrophobicContact CG1-CD1 3.76Å; V312-L316 HydrophobicContact CG1-CG 4.15Å; V312-L316 VanDerWaalsContact O-CB 3.32Å; V312-L316 WeakPolarHBondContact O-CB 3.43Å; V312-L316 WeakPolarHBondContact O-CG 3.32Å; V312-L316 PolarHBondContact O-N 3.11Å; L316-L318 PolarHBondContact O-N 2.74Å; L316-G319 PolarHBondContact O-N 2.89Å; L316-V324 HydrophobicContact CD2-CG2 4.06Å; L316-V324 HydrophobicContact CG-CG2 4.02Å; L316-P345 HydrophobicContact CD1-CB 4.03Å; L316-P345 WeakPolarHBondContact CD1-O 3.45Å; L316-M348 HydrophobicContact CD1-CB 3.82Å; L316-A349 HydrophobicContact CD2-CB 4Å; L316-V357 HydrophobicContact CD2-CG1 3.92Å; L316-M361 HydrophobicContact CD1-CE 4.12Å; L316-M361 HydrophobicContact CD2-CE 4.29Å
317K76.9Confident72.6Confident183 Ų18363.6 Ų63.680%0.79632%0.321SS*.Hα-helixtrans-65.4-26178.9-174171.5-177.2174.20113.1F313 S314 G319F313-K317 VanDerWaalsContact O-CB 3.24Å; F313-K317 WeakPolarHBondContact O-CB 3.42Å; F313-K317 PolarHBondContact O-N 3.09Å; S314-K317 PolarHBondContact O-N 3.2Å; K317-G319 VanDerWaalsContact C-N 3.34Å
318L74.9Confident73.7Confident135 Ų13558 Ų5871%0.70730%0.299SS*.THydrogen-bonded Turntrans-84.7-4.6172.3-68.8170000113.5S314 A315 L316 N320S314-L318 WeakPolarHBondContact O-CG 3.48Å; S314-L318 PolarHBondContact O-N 3.31Å; S314-L318 VanDerWaalsContact O-N 3.11Å; A315-L318 PolarHBondContact O-N 3.24Å; L316-L318 PolarHBondContact O-N 2.74Å; L318-N320 PolarHBondContact O-N 2.92Å
319G74.4Confident74.8Confident48 Ų4857.5 Ų57.550%0.49530%0.3SS..THydrogen-bonded Turntrans66.114.9-176.500000114.4A315 L316 K317 S321A315-G319 PolarHBondContact O-N 2.87Å; L316-G319 PolarHBondContact O-N 2.89Å; K317-G319 VanDerWaalsContact C-N 3.34Å; G319-S321 PolarHBondContact O-N 3.35Å; G319-S321 VanDerWaalsContact O-N 3.12Å
320N79.4Confident75.8Confident74 Ų7459.3 Ų59.340%0.39631%0.313SS..  trans-87.383-176-172.7-11.8000110.3A315 L318 Q322 L323 V324A315-N320 PolarHBondContact O-N 2.66Å; A315-N320 VanDerWaalsContact O-N 3.14Å; L318-N320 PolarHBondContact O-N 2.92Å; N320-Q322 VanDerWaalsContact C-N 3.26Å; N320-Q322 PolarHBondContact O-N 2.85Å; N320-Q322 PolarHBondContact OD1-N 3.01Å; N320-L323 HydrophobicContact CB-CB 4.05Å; N320-L323 VanDerWaalsContact CG-CB 3.48Å; N320-L323 WeakPolarHBondContact ND2-CB 3.49Å; N320-L323 PolarHBondContact O-N 3.19Å; N320-L323 PolarHBondContact OD1-N 3.37Å; N320-L323 VanDerWaalsContact OD1-N 3.14Å; N320-V324 PolarHBondContact O-N 3.34Å
321S78.1Confident76.5Confident38 Ų3858 Ų5827%0.26630%0.303SS..Hα-helixtrans-55.6-37.9-178.962.30000113.1G319 V324 K325G319-S321 PolarHBondContact O-N 3.35Å; G319-S321 VanDerWaalsContact O-N 3.12Å; S321-V324 PolarHBondContact O-N 2.62Å; S321-K325 WeakPolarHBondContact O-CG 3.47Å; S321-K325 PolarHBondContact O-N 3.14Å
322Q77.8Confident76.7Confident93 Ų9358.2 Ų58.244%0.43531%0.309SS..Hα-helixtrans-67.3-44.8180-171.758.644.600111.6N320 V324 K325 D326N320-Q322 VanDerWaalsContact C-N 3.26Å; N320-Q322 PolarHBondContact O-N 2.85Å; N320-Q322 PolarHBondContact OD1-N 3.01Å; Q322-V324 PolarHBondContact O-N 2.68Å; Q322-K325 WeakPolarHBondContact O-CA 3.44Å; Q322-K325 WeakPolarHBondContact O-CB 3.43Å; Q322-K325 PolarHBondContact O-N 3.41Å; Q322-D326 PolarHBondContact NE2-OD1 3.44Å; Q322-D326 PolarHBondContact O-N 3.14Å
323L78Confident76.6Confident48 Ų4861.9 Ų61.925%0.25134%0.339SS..Hα-helixtrans-58.6-37.4175.2-177.862.3000111.5P310 A315 N320 D326 I327P310-L323 HydrophobicContact CB-CD2 4.4Å; P310-L323 HydrophobicContact CG-CD1 3.95Å; P310-L323 HydrophobicContact CG-CD2 4.49Å; P310-L323 HydrophobicContact CG-CG 4.43Å; A315-L323 HydrophobicContact CB-CB 4.26Å; A315-L323 HydrophobicContact CB-CD2 3.78Å; A315-L323 HydrophobicContact CB-CG 3.87Å; N320-L323 HydrophobicContact CB-CB 4.05Å; N320-L323 VanDerWaalsContact CG-CB 3.48Å; N320-L323 WeakPolarHBondContact ND2-CB 3.49Å; N320-L323 PolarHBondContact O-N 3.19Å; N320-L323 PolarHBondContact OD1-N 3.37Å; N320-L323 VanDerWaalsContact OD1-N 3.14Å; L323-D326 PolarHBondContact O-N 2.88Å; L323-I327 HydrophobicContact CD1-CD1 4.44Å; L323-I327 HydrophobicContact CG-CD1 3.99Å; L323-I327 VanDerWaalsContact O-CD1 3.25Å; L323-I327 WeakPolarHBondContact O-CD1 3.47Å; L323-I327 WeakPolarHBondContact O-CG1 3.36Å; L323-I327 PolarHBondContact O-N 2.97Å
324V79.2Confident76.3Confident1 Ų162 Ų621%0.00634%0.34CS..Hα-helixtrans-64.3-39.5173.5-178.40000111.9V312 A315 L316 N320 S321 Q322 L328 V357 M361V312-V324 HydrophobicContact CG1-CG1 4.15Å; A315-V324 HydrophobicContact CB-CG2 3.55Å; L316-V324 HydrophobicContact CD2-CG2 4.06Å; L316-V324 HydrophobicContact CG-CG2 4.02Å; N320-V324 PolarHBondContact O-N 3.34Å; S321-V324 PolarHBondContact O-N 2.62Å; Q322-V324 PolarHBondContact O-N 2.68Å; V324-L328 HydrophobicContact CG1-CD1 3.86Å; V324-L328 HydrophobicContact CG1-CG 4.19Å; V324-L328 WeakPolarHBondContact O-CB 3.4Å; V324-L328 VanDerWaalsContact O-CG 3.24Å; V324-L328 WeakPolarHBondContact O-CG 3.5Å; V324-L328 PolarHBondContact O-N 2.83Å; V324-V357 HydrophobicContact CB-CG1 4.26Å; V324-V357 HydrophobicContact CG1-CG1 3.58Å; V324-M361 HydrophobicContact CG1-CE 3.89Å
325K78.9Confident76.4Confident42 Ų4259.7 Ų59.718%0.18332%0.324CS..Hα-helixtrans-61.2-48.5175-62.5171.5-169.9170.70110.8S321 Q322 I327 L328 E329 E356 L360S321-K325 WeakPolarHBondContact O-CG 3.47Å; S321-K325 PolarHBondContact O-N 3.14Å; Q322-K325 WeakPolarHBondContact O-CA 3.44Å; Q322-K325 WeakPolarHBondContact O-CB 3.43Å; Q322-K325 PolarHBondContact O-N 3.41Å; K325-I327 PolarHBondContact O-N 3.3Å; K325-L328 CarbonylContact O-C 3.46Å; K325-L328 PolarHBondContact O-N 3.41Å; K325-E329 PolarHBondContact O-N 2.81Å; K325-E356 WeakPolarHBondContact CE-OE2 3.41Å; K325-E356 IonicContact NZ-OE2 2.6Å; K325-E356 PolarHBondContact NZ-OE2 3.45Å; K325-L360 HydrophobicContact CB-CD2 3.85Å; K325-L360 HydrophobicContact CG-CD2 3.68Å
326D79.6Confident76.4Confident76 Ų7663 Ų6341%0.40634%0.341SS..Hα-helixtrans-59.1-47.5-179.3-53.5-17.3000110.9Q322 L323 L328 E329 E330Q322-D326 PolarHBondContact NE2-OD1 3.44Å; Q322-D326 PolarHBondContact O-N 3.14Å; L323-D326 PolarHBondContact O-N 2.88Å; D326-L328 PolarHBondContact O-N 2.93Å; D326-E329 PolarHBondContact O-N 2.9Å; D326-E330 PolarHBondContact O-N 3.29Å; D326-E330 VanDerWaalsContact O-N 3.15Å
327I78.6Confident76.4Confident9 Ų964.4 Ų64.45%0.04635%0.351CS..Hα-helixtrans-60.4-43.7175.9-60.4153000111.6P310 V312 A315 L323 K325 E329 E330 D331P310-I327 HydrophobicContact CB-CD1 4.28Å; P310-I327 HydrophobicContact CG-CD1 3.97Å; P310-I327 HydrophobicContact CG-CG1 3.93Å; P310-I327 WeakPolarHBondContact O-CD1 3.37Å; V312-I327 HydrophobicContact CG2-CB 4.24Å; V312-I327 HydrophobicContact CG2-CD1 4.49Å; V312-I327 HydrophobicContact CG2-CG2 3.51Å; A315-I327 HydrophobicContact CB-CD1 3.69Å; L323-I327 HydrophobicContact CD1-CD1 4.44Å; L323-I327 HydrophobicContact CG-CD1 3.99Å; L323-I327 VanDerWaalsContact O-CD1 3.25Å; L323-I327 WeakPolarHBondContact O-CD1 3.47Å; L323-I327 WeakPolarHBondContact O-CG1 3.36Å; L323-I327 PolarHBondContact O-N 2.97Å; K325-I327 PolarHBondContact O-N 3.3Å; I327-E329 PolarHBondContact O-N 3.27Å; I327-E330 PolarHBondContact O-N 3.4Å; I327-D331 PolarHBondContact O-N 3Å
328L76.9Confident76.7Confident0 Ų058.8 Ų58.80%034%0.335CS..Hα-helixtrans-77-8.3-178.6-65.5-175.1000113.6V312 V324 K325 D326 V335 L360 M361 K364V312-L328 HydrophobicContact CG2-CD2 3.82Å; V312-L328 HydrophobicContact CG2-CG 4.47Å; V324-L328 HydrophobicContact CG1-CD1 3.86Å; V324-L328 HydrophobicContact CG1-CG 4.19Å; V324-L328 WeakPolarHBondContact O-CB 3.4Å; V324-L328 VanDerWaalsContact O-CG 3.24Å; V324-L328 WeakPolarHBondContact O-CG 3.5Å; V324-L328 PolarHBondContact O-N 2.83Å; K325-L328 CarbonylContact O-C 3.46Å; K325-L328 PolarHBondContact O-N 3.41Å; D326-L328 PolarHBondContact O-N 2.93Å; L328-V335 HydrophobicContact CD1-CG2 4.47Å; L328-V335 HydrophobicContact CD2-CG2 3.65Å; L328-L360 HydrophobicContact CB-CD2 4.48Å; L328-M361 HydrophobicContact CD1-CE 3.9Å; L328-M361 HydrophobicContact CD1-CG 3.63Å; L328-K364 WeakPolarHBondContact O-CE 2.93Å; L328-K364 PolarHBondContact O-NZ 3.45Å
329E75.4Confident77Confident136 Ų13654.5 Ų54.564%0.63631%0.313SS*.Hα-helixtrans-86.3-37166.4-75.6-175.9-159.900112.3K325 D326 I327K325-E329 PolarHBondContact O-N 2.81Å; D326-E329 PolarHBondContact O-N 2.9Å; I327-E329 PolarHBondContact O-N 3.27Å
330E73.4Confident77Confident152 Ų15261.7 Ų61.771%0.7133%0.334SS*.Hα-helixtrans-75.8-38.5173.4-66-166.4158.400113.7D326 I327D326-E330 PolarHBondContact O-N 3.29Å; D326-E330 VanDerWaalsContact O-N 3.15Å; I327-E330 PolarHBondContact O-N 3.4Å
331D73.4Confident76.8Confident25 Ų2562.1 Ų62.113%0.13434%0.336CS..  trans-135.489-171.1-166.2-18.5000113R309 I327 A333 Q334R309-D331 IonicContact CZ-OD2 2.94Å; R309-D331 IonicContact NH1-OD2 3.21Å; R309-D331 PolarHBondContact NH1-OD2 3.07Å; I327-D331 PolarHBondContact O-N 3Å; D331-A333 PolarHBondContact O-N 3.07Å; D331-A333 WeakPolarHBondContact OD1-CB 3.38Å; D331-A333 PolarHBondContact OD1-N 3.18Å; D331-A333 VanDerWaalsContact OD1-N 3.08Å; D331-Q334 HydrophobicContact CB-CG 4.32Å; D331-Q334 PolarHBondContact O-N 3.04Å; D331-Q334 PolarHBondContact OD2-NE2 3.35Å
332P70.6Confident76.9Confident80 Ų8061 Ų6152%0.51933%0.33SS..THydrogen-bonded Turntrans-72.5-8.5178.930.5-35.8000113.7V335P332-V335 WeakPolarHBondContact O-CG2 3.37Å
333A72.1Confident77.1Confident77 Ų7757 Ų5764%0.63631%0.314SS*.THydrogen-bonded Turntrans-75.8-31.4177.500000111.7D331 V335 N336D331-A333 PolarHBondContact O-N 3.07Å; D331-A333 WeakPolarHBondContact OD1-CB 3.38Å; D331-A333 PolarHBondContact OD1-N 3.18Å; D331-A333 VanDerWaalsContact OD1-N 3.08Å; A333-V335 PolarHBondContact O-N 2.91Å; A333-V335 VanDerWaalsContact O-N 3.17Å; A333-N336 PolarHBondContact O-N 3.08Å
334Q71.3Confident77.6Confident30 Ų3054.9 Ų54.914%0.1430%0.303CS..G310 helixtrans-64.2-20.8-178.6-70-175.14700113.6V312 D331 N336 S337 P345V312-Q334 HydrophobicContact CG2-CB 3.88Å; D331-Q334 HydrophobicContact CB-CG 4.32Å; D331-Q334 PolarHBondContact O-N 3.04Å; D331-Q334 PolarHBondContact OD2-NE2 3.35Å; Q334-N336 PolarHBondContact O-N 3.46Å; Q334-S337 VanDerWaalsContact O-CB 3.25Å; Q334-S337 WeakPolarHBondContact O-CB 3.4Å; Q334-S337 PolarHBondContact O-N 3.23Å; Q334-S337 VanDerWaalsContact O-N 3.15Å; Q334-S337 PolarHBondContact O-OG 3.45Å; Q334-P345 WeakPolarHBondContact O-CG 3.29Å
335V76.1Confident78Confident1 Ų154.8 Ų54.81%0.00630%0.302CS..G310 helixtrans-51.1-40.9176.1-176.30000112.5L328 P332 A333 P345 M361 K364 A366L328-V335 HydrophobicContact CD1-CG2 4.47Å; L328-V335 HydrophobicContact CD2-CG2 3.65Å; P332-V335 WeakPolarHBondContact O-CG2 3.37Å; A333-V335 PolarHBondContact O-N 2.91Å; A333-V335 VanDerWaalsContact O-N 3.17Å; V335-P345 WeakPolarHBondContact O-CD 3.45Å; V335-M361 HydrophobicContact CG1-CB 4.46Å; V335-K364 HydrophobicContact CG2-CB 3.93Å; V335-A366 HydrophobicContact CG1-CB 3.52Å
336N79.9Confident78.5Confident69 Ų6952.9 Ų52.937%0.36929%0.294SS..G310 helixtrans-104.613-174.6-72.6-46.7000113.7A333 Q334 K365 A366 D367 K370A333-N336 PolarHBondContact O-N 3.08Å; Q334-N336 PolarHBondContact O-N 3.46Å; N336-K365 PolarHBondContact ND2-O 3.27Å; N336-A366 WeakPolarHBondContact OD1-CA 3.39Å; N336-D367 PolarHBondContact OD1-N 3.39Å; N336-K370 PolarHBondContact O-NZ 3.23Å
337S80.3Confident78.9Confident35 Ų3549.3 Ų49.325%0.24528%0.275CS..  trans-57.9172.1169.965.80000112.2F313 Q334 P345 K370F313-S337 WeakPolarHBondContact CE2-OG 3.4Å; Q334-S337 VanDerWaalsContact O-CB 3.25Å; Q334-S337 WeakPolarHBondContact O-CB 3.4Å; Q334-S337 PolarHBondContact O-N 3.23Å; Q334-S337 VanDerWaalsContact O-N 3.15Å; Q334-S337 PolarHBondContact O-OG 3.45Å; S337-P345 WeakPolarHBondContact O-CD 3.26Å; S337-P345 VanDerWaalsContact OG-CG 3.31Å; S337-P345 WeakPolarHBondContact OG-CG 3.39Å; S337-K370 PolarHBondContact O-NZ 3.44Å
338S82.3Confident79.3Confident65 Ų6551.9 Ų51.946%0.45529%0.287SS..  trans-145.4140.8172.614.80000109.8G342 A343 K370S338-G342 WeakPolarHBondContact CB-O 3.44Å; S338-A343 VanDerWaalsContact CA-O 3.27Å; S338-A343 WeakPolarHBondContact CA-O 3.09Å; S338-K370 PolarHBondContact OG-NZ 3.18Å
339N81.1Confident79.8Confident45 Ų4551.9 Ų51.924%0.24129%0.287CS..  trans-75.9-174175.778.6-16.2000111.3F313 D341 G342 A343F313-N339 HydrophobicContact CD1-CB 4.32Å; F313-N339 HydrophobicContact CD2-CB 4.36Å; F313-N339 HydrophobicContact CE1-CB 4.05Å; F313-N339 HydrophobicContact CE2-CB 4.12Å; F313-N339 HydrophobicContact CG-CB 4.47Å; F313-N339 HydrophobicContact CZ-CB 3.96Å; N339-D341 PolarHBondContact ND2-OD2 2.6Å; N339-D341 PolarHBondContact O-N 3.41Å; N339-D341 WeakPolarHBondContact OD1-CA 3.36Å; N339-D341 WeakPolarHBondContact OD1-CB 3.22Å; N339-D341 PolarHBondContact OD1-N 2.62Å; N339-G342 PolarHBondContact O-N 3.14Å; N339-G342 PolarHBondContact OD1-N 3.01Å; N339-G342 VanDerWaalsContact OD1-N 3.08Å; N339-A343 PolarHBondContact N-O 2.87Å; N339-A343 WeakPolarHBondContact OD1-CB 3.19Å; N339-A343 PolarHBondContact OD1-N 3.21Å
340Q74.8Confident80.5Confident200 Ų20045.4 Ų45.494%0.93526%0.257SS*.THydrogen-bonded Turntrans-60.7-26.5178.2-64.9178.7-1.400113.3G342Q340-G342 VanDerWaalsContact C-N 3.3Å
341D74.2Confident81.1Confident82 Ų8240.5 Ų40.544%0.43924%0.237SC..THydrogen-bonded Turntrans-85.7-0.4175.9-43.6-65.2000112.7N339 A343 S373 V374N339-D341 PolarHBondContact ND2-OD2 2.6Å; N339-D341 PolarHBondContact O-N 3.41Å; N339-D341 WeakPolarHBondContact OD1-CA 3.36Å; N339-D341 WeakPolarHBondContact OD1-CB 3.22Å; N339-D341 PolarHBondContact OD1-N 2.62Å; D341-A343 PolarHBondContact O-N 3.4Å; D341-S373 WeakPolarHBondContact O-CA 3.46Å; D341-S373 WeakPolarHBondContact O-CB 3.5Å; D341-S373 PolarHBondContact O-N 3.39Å; D341-S373 PolarHBondContact O-OG 2.88Å; D341-V374 HydrophobicContact CB-CG2 3.85Å
342G80.5Confident81.6Confident14 Ų1441.9 Ų41.914%0.14425%0.249CC..  trans78-0.9-176.100000114.8S338 N339 Q340S338-G342 WeakPolarHBondContact CB-O 3.44Å; N339-G342 PolarHBondContact O-N 3.14Å; N339-G342 PolarHBondContact OD1-N 3.01Å; N339-G342 VanDerWaalsContact OD1-N 3.08Å; Q340-G342 VanDerWaalsContact C-N 3.3Å
343A83.3Confident82.3Confident11 Ų1139.6 Ų39.69%0.09124%0.24CC..  trans-71.1141.2-178.600000111.8S338 N339 D341 M347 D372S338-A343 VanDerWaalsContact CA-O 3.27Å; S338-A343 WeakPolarHBondContact CA-O 3.09Å; N339-A343 PolarHBondContact N-O 2.87Å; N339-A343 WeakPolarHBondContact OD1-CB 3.19Å; N339-A343 PolarHBondContact OD1-N 3.21Å; D341-A343 PolarHBondContact O-N 3.4Å; A343-M347 VanDerWaalsContact CA-SD 3.55Å; A343-M347 HydrophobicContact CB-SD 3.81Å; A343-D372 HydrophobicContact CB-CB 4.22Å
344S88.2Confident82.9Confident2 Ų237.2 Ų37.21%0.01422%0.216CC..  trans-86.6159.9179.472.70000112.6L346 M347 M348S344-L346 PolarHBondContact O-N 2.96Å; S344-M347 PolarHBondContact N-SD 2.91Å; S344-M347 WeakPolarHBondContact O-CB 3.47Å; S344-M347 PolarHBondContact O-N 2.97Å; S344-M347 VanDerWaalsContact O-N 3.08Å; S344-M347 WeakPolarHBondContact OG-CG 3.48Å; S344-M347 PolarHBondContact OG-N 3.5Å; S344-M348 PolarHBondContact O-N 3.49Å
345P86.6Confident83.6Confident0 Ų038.4 Ų38.40%022%0.223CC..Hα-helixtrans-53.2-35.9170.3-29.137000113.4V312 F313 L316 Q334 V335 S337 M347 M348 A349 M361V312-P345 HydrophobicContact CG1-CB 3.8Å; V312-P345 HydrophobicContact CG1-CG 4.17Å; F313-P345 HydrophobicContact CE1-CG 4.01Å; F313-P345 HydrophobicContact CZ-CG 3.87Å; L316-P345 HydrophobicContact CD1-CB 4.03Å; L316-P345 WeakPolarHBondContact CD1-O 3.45Å; Q334-P345 WeakPolarHBondContact O-CG 3.29Å; V335-P345 WeakPolarHBondContact O-CD 3.45Å; S337-P345 WeakPolarHBondContact O-CD 3.26Å; S337-P345 VanDerWaalsContact OG-CG 3.31Å; S337-P345 WeakPolarHBondContact OG-CG 3.39Å; P345-M347 PolarHBondContact O-N 3.01Å; P345-M348 PolarHBondContact O-N 3.22Å; P345-A349 WeakPolarHBondContact O-CB 3.36Å; P345-A349 PolarHBondContact O-N 3.23Å; P345-M361 HydrophobicContact CB-CE 3.55Å; P345-M361 HydrophobicContact CB-SD 4.04Å
346L89.4Confident84Confident1 Ų143.7 Ų43.71%0.00525%0.248CC..Hα-helixtrans-63.7-39.4177.5-170.871000112.1S344 A350 V358 M361 V362 A366 I368 A379 L395S344-L346 PolarHBondContact O-N 2.96Å; L346-A350 VanDerWaalsContact O-CB 3.24Å; L346-A350 WeakPolarHBondContact O-CB 3.4Å; L346-A350 PolarHBondContact O-N 2.88Å; L346-V358 HydrophobicContact CD1-CB 4.46Å; L346-V358 HydrophobicContact CD1-CG1 4.01Å; L346-V358 HydrophobicContact CD1-CG2 4.49Å; L346-M361 HydrophobicContact CB-SD 4.39Å; L346-M361 HydrophobicContact CD1-CB 3.88Å; L346-M361 HydrophobicContact CD1-SD 4.29Å; L346-V362 HydrophobicContact CD1-CG2 3.97Å; L346-V362 HydrophobicContact CD2-CG2 4.49Å; L346-A366 HydrophobicContact CB-CB 4.36Å; L346-A366 HydrophobicContact CD1-CB 4.3Å; L346-A366 HydrophobicContact CD2-CB 4.03Å; L346-A366 HydrophobicContact CG-CB 4.47Å; L346-I368 HydrophobicContact CD2-CG1 4.34Å; L346-A379 HydrophobicContact CB-CB 4.41Å; L346-A379 HydrophobicContact CD2-CB 3.81Å; L346-A379 HydrophobicContact CG-CB 3.78Å; L346-L395 HydrophobicContact CD2-CD2 4.45Å
347M88.6Confident84.3Confident2 Ų240.5 Ų40.51%0.0123%0.231CC..Hα-helixtrans-64.2-43.7173.2-65.6165.3-166.700111.5A343 S344 P345 A349 A350 V351 K370 D372 W377 A379 Q382A343-M347 VanDerWaalsContact CA-SD 3.55Å; A343-M347 HydrophobicContact CB-SD 3.81Å; S344-M347 PolarHBondContact N-SD 2.91Å; S344-M347 WeakPolarHBondContact O-CB 3.47Å; S344-M347 PolarHBondContact O-N 2.97Å; S344-M347 VanDerWaalsContact O-N 3.08Å; S344-M347 WeakPolarHBondContact OG-CG 3.48Å; S344-M347 PolarHBondContact OG-N 3.5Å; P345-M347 PolarHBondContact O-N 3.01Å; M347-A349 PolarHBondContact O-N 2.92Å; M347-A350 CarbonylContact O-C 3.58Å; M347-A350 WeakPolarHBondContact O-CB 3.3Å; M347-A350 PolarHBondContact O-N 3.42Å; M347-A350 VanDerWaalsContact O-N 3.16Å; M347-V351 WeakPolarHBondContact O-CG2 3.34Å; M347-V351 PolarHBondContact O-N 3.1Å; M347-K370 HydrophobicContact CE-CB 4.4Å; M347-K370 HydrophobicContact CE-CG 4.31Å; M347-K370 WeakPolarHBondContact CE-O 3.25Å; M347-D372 HydrophobicContact CE-CB 4.39Å; M347-D372 HydrophobicContact SD-CB 3.94Å; M347-W377 WeakPolarHBondContact CE-O 3.46Å; M347-A379 HydrophobicContact CG-CB 4.2Å; M347-Q382 HydrophobicContact CB-CG 4.27Å
348M86.8Confident84.6Confident62 Ų6238.9 Ų38.931%0.30522%0.219SC..Hα-helixtrans-67.2-35.4179.4-70.2-61.9-62.900112.3F313 L316 S344 P345 S352F313-M348 HydrophobicContact CD1-CG 4.09Å; F313-M348 HydrophobicContact CE1-CG 4.23Å; L316-M348 HydrophobicContact CD1-CB 3.82Å; S344-M348 PolarHBondContact O-N 3.49Å; P345-M348 PolarHBondContact O-N 3.22Å; M348-S352 WeakPolarHBondContact O-CB 3.19Å; M348-S352 PolarHBondContact O-N 3.06Å; M348-S352 VanDerWaalsContact O-N 3.11Å; M348-S352 PolarHBondContact O-OG 3.19Å
349A88.2Confident84.8Confident0 Ų039.7 Ų39.70%022%0.216CC..Hα-helixtrans-66.5-38.7169.700000112.1L316 P345 M347 S352 G353 Q354 V357 V358 M361L316-A349 HydrophobicContact CD2-CB 4Å; P345-A349 WeakPolarHBondContact O-CB 3.36Å; P345-A349 PolarHBondContact O-N 3.23Å; M347-A349 PolarHBondContact O-N 2.92Å; A349-S352 PolarHBondContact O-N 3.24Å; A349-S352 PolarHBondContact O-OG 3.5Å; A349-G353 PolarHBondContact O-N 3.31Å; A349-Q354 PolarHBondContact O-N 2.96Å; A349-V357 HydrophobicContact CB-CB 4.47Å; A349-V357 HydrophobicContact CB-CG1 4.07Å; A349-V358 HydrophobicContact CB-CG2 3.67Å; A349-M361 HydrophobicContact CB-SD 4.08Å
350A89.4Confident85Confident0 Ų038.8 Ų38.80%021%0.211CC..Hα-helixtrans-68.1-36.3176.700000113.9L346 M347 A379 Q382 A383 N388 I391L346-A350 VanDerWaalsContact O-CB 3.24Å; L346-A350 WeakPolarHBondContact O-CB 3.4Å; L346-A350 PolarHBondContact O-N 2.88Å; M347-A350 CarbonylContact O-C 3.58Å; M347-A350 WeakPolarHBondContact O-CB 3.3Å; M347-A350 PolarHBondContact O-N 3.42Å; M347-A350 VanDerWaalsContact O-N 3.16Å; A350-A379 HydrophobicContact CB-CB 4.35Å; A350-A379 WeakPolarHBondContact CB-O 3.22Å; A350-Q382 HydrophobicContact CB-CB 4.38Å; A350-A383 HydrophobicContact CB-CB 4.15Å; A350-N388 PolarHBondContact O-ND2 2.97Å; A350-I391 HydrophobicContact CB-CG2 4.25Å
351V86.8Confident85.5Confident49 Ų4929.3 Ų29.330%0.29717%0.166SC..Hα-helixtrans-65.3-48.3170.5169.20000110.7M347 G353 Q382 N388M347-V351 WeakPolarHBondContact O-CG2 3.34Å; M347-V351 PolarHBondContact O-N 3.1Å; V351-G353 VanDerWaalsContact C-N 3.26Å; V351-G353 PolarHBondContact O-N 3.2Å; V351-Q382 HydrophobicContact CG2-CB 3.93Å; V351-Q382 HydrophobicContact CG2-CG 4.07Å; V351-Q382 VanDerWaalsContact CG2-OE1 3.32Å; V351-N388 PolarHBondContact O-ND2 3.45Å
352S83.3Confident86.1Confident55 Ų5526.1 Ų26.139%0.38515%0.15SC..THydrogen-bonded Turntrans-792.8-174.557.50000115.5M348 A349 Q354M348-S352 WeakPolarHBondContact O-CB 3.19Å; M348-S352 PolarHBondContact O-N 3.06Å; M348-S352 VanDerWaalsContact O-N 3.11Å; M348-S352 PolarHBondContact O-OG 3.19Å; A349-S352 PolarHBondContact O-N 3.24Å; A349-S352 PolarHBondContact O-OG 3.5Å; S352-Q354 VanDerWaalsContact C-N 3.26Å; S352-Q354 PolarHBondContact O-N 2.97Å; S352-Q354 PolarHBondContact OG-NE2 3.09Å
353G85.8Confident86.3Confident32 Ų3233 Ų3333%0.3318%0.178SC..THydrogen-bonded Turntrans72.410.717600000115.2A349 V351 L355A349-G353 PolarHBondContact O-N 3.31Å; V351-G353 VanDerWaalsContact C-N 3.26Å; V351-G353 PolarHBondContact O-N 3.2Å; G353-L355 PolarHBondContact O-N 2.95Å
354Q83.5Confident86.2Confident26 Ų2635.6 Ų35.612%0.12119%0.188CC..  trans-80.975.9-172.1-69-178.576.600112.7A349 S352 E356 V357 V358A349-Q354 PolarHBondContact O-N 2.96Å; S352-Q354 VanDerWaalsContact C-N 3.26Å; S352-Q354 PolarHBondContact O-N 2.97Å; S352-Q354 PolarHBondContact OG-NE2 3.09Å; Q354-E356 VanDerWaalsContact C-N 3.35Å; Q354-E356 PolarHBondContact O-N 3.09Å; Q354-V357 HydrophobicContact CB-CB 3.98Å; Q354-V357 HydrophobicContact CB-CG2 4.01Å; Q354-V357 PolarHBondContact O-N 3.41Å; Q354-V358 PolarHBondContact O-N 3.36Å
355L86.9Confident85.9Confident56 Ų5643.9 Ų43.929%0.29322%0.223SC..Hα-helixtrans-53.2-43.8-176.8-179.163.1000114G353 V357 V358 Q359 D390 I391G353-L355 PolarHBondContact O-N 2.95Å; L355-V357 VanDerWaalsContact C-N 3.26Å; L355-V357 PolarHBondContact O-N 2.94Å; L355-V358 PolarHBondContact O-N 3.1Å; L355-Q359 HydrophobicContact CD1-CG 4.33Å; L355-Q359 WeakPolarHBondContact O-CG 3.39Å; L355-Q359 PolarHBondContact O-N 2.88Å; L355-D390 HydrophobicContact CD2-CB 4.12Å; L355-I391 HydrophobicContact CB-CG1 4.21Å; L355-I391 HydrophobicContact CD1-CG1 3.86Å
356E84.9Confident85.8Confident112 Ų11244.3 Ų44.352%0.52323%0.227SC..Hα-helixtrans-59.7-37.6177.9-64.8-176.1-167.100112.6K325 Q354 L360K325-E356 WeakPolarHBondContact CE-OE2 3.41Å; K325-E356 IonicContact NZ-OE2 2.6Å; K325-E356 PolarHBondContact NZ-OE2 3.45Å; Q354-E356 VanDerWaalsContact C-N 3.35Å; Q354-E356 PolarHBondContact O-N 3.09Å; E356-L360 PolarHBondContact O-N 2.86Å; E356-L360 VanDerWaalsContact O-N 3.09Å
357V85.8Confident85.6Confident2 Ų248 Ų481%0.01225%0.247CC..Hα-helixtrans-75-40.3-178.8178.20000110.3L316 V324 A349 Q354 L355 Q359 L360 M361L316-V357 HydrophobicContact CD2-CG1 3.92Å; V324-V357 HydrophobicContact CB-CG1 4.26Å; V324-V357 HydrophobicContact CG1-CG1 3.58Å; A349-V357 HydrophobicContact CB-CB 4.47Å; A349-V357 HydrophobicContact CB-CG1 4.07Å; Q354-V357 HydrophobicContact CB-CB 3.98Å; Q354-V357 HydrophobicContact CB-CG2 4.01Å; Q354-V357 PolarHBondContact O-N 3.41Å; L355-V357 VanDerWaalsContact C-N 3.26Å; L355-V357 PolarHBondContact O-N 2.94Å; V357-Q359 VanDerWaalsContact C-N 3.33Å; V357-Q359 PolarHBondContact O-N 3.25Å; V357-L360 PolarHBondContact O-N 3.11Å; V357-M361 HydrophobicContact CG1-CE 3.53Å; V357-M361 HydrophobicContact CG1-CG 4.44Å; V357-M361 HydrophobicContact CG1-SD 4.05Å; V357-M361 WeakPolarHBondContact O-CB 3.46Å; V357-M361 VanDerWaalsContact O-CG 3.26Å; V357-M361 WeakPolarHBondContact O-CG 3.44Å; V357-M361 PolarHBondContact O-N 2.85Å
358V87.1Confident85.5Confident0 Ų049 Ų490%025%0.252CS..Hα-helixtrans-58.7-44.2171.3171.90000111.1L346 A349 Q354 L355 M361 V362 I391 Y394 L395L346-V358 HydrophobicContact CD1-CB 4.46Å; L346-V358 HydrophobicContact CD1-CG1 4.01Å; L346-V358 HydrophobicContact CD1-CG2 4.49Å; A349-V358 HydrophobicContact CB-CG2 3.67Å; Q354-V358 PolarHBondContact O-N 3.36Å; L355-V358 PolarHBondContact O-N 3.1Å; V358-M361 PolarHBondContact O-N 3.08Å; V358-V362 WeakPolarHBondContact O-CG2 3.36Å; V358-V362 PolarHBondContact O-N 2.78Å; V358-I391 HydrophobicContact CG1-CG2 4.29Å; V358-I391 HydrophobicContact CG2-CD1 4.04Å; V358-I391 HydrophobicContact CG2-CG1 4.34Å; V358-I391 HydrophobicContact CG2-CG2 4.28Å; V358-Y394 HydrophobicContact CG1-CD1 3.81Å; V358-Y394 HydrophobicContact CG1-CE1 4.08Å; V358-L395 HydrophobicContact CG1-CD2 4.09Å
359Q86.8Confident85.4Confident82 Ų8249 Ų4938%0.38325%0.253SS..Hα-helixtrans-61.8-48.3178.3-73.8176.60.700111.9L355 V357 M361 V362 E363 Y394L355-Q359 HydrophobicContact CD1-CG 4.33Å; L355-Q359 WeakPolarHBondContact O-CG 3.39Å; L355-Q359 PolarHBondContact O-N 2.88Å; V357-Q359 VanDerWaalsContact C-N 3.33Å; V357-Q359 PolarHBondContact O-N 3.25Å; Q359-M361 PolarHBondContact O-N 2.82Å; Q359-V362 PolarHBondContact O-N 2.9Å; Q359-E363 PolarHBondContact O-N 3.35Å; Q359-Y394 HydrophobicContact CB-CE1 4.42Å; Q359-Y394 HydrophobicContact CG-CD1 4.19Å; Q359-Y394 HydrophobicContact CG-CD2 4.11Å; Q359-Y394 HydrophobicContact CG-CE1 3.92Å; Q359-Y394 HydrophobicContact CG-CE2 3.86Å; Q359-Y394 HydrophobicContact CG-CG 4.27Å
360L84.9Confident85.4Confident27 Ų2750.9 Ų50.914%0.14126%0.261CS..Hα-helixtrans-63.6-41177-177.562.9000112.1K325 L328 E356 V357 V362 E363 K364K325-L360 HydrophobicContact CB-CD2 3.85Å; K325-L360 HydrophobicContact CG-CD2 3.68Å; L328-L360 HydrophobicContact CB-CD2 4.48Å; E356-L360 PolarHBondContact O-N 2.86Å; E356-L360 VanDerWaalsContact O-N 3.09Å; V357-L360 PolarHBondContact O-N 3.11Å; L360-V362 PolarHBondContact O-N 2.92Å; L360-E363 PolarHBondContact O-N 3.49Å; L360-K364 HydrophobicContact CD1-CG 4.1Å; L360-K364 HydrophobicContact CG-CG 4.23Å; L360-K364 WeakPolarHBondContact O-CB 3.37Å; L360-K364 WeakPolarHBondContact O-CG 3.22Å; L360-K364 PolarHBondContact O-N 3.2Å
361M85.4Confident85.3Confident0 Ų054.7 Ų54.70%028%0.279CS..Hα-helixtrans-60.9-42.8177.8-77.8176.5179.400112.1V312 L316 V324 L328 V335 P345 L346 A349 V357 V358 Q359 K364 K365 A366V312-M361 HydrophobicContact CG1-CE 3.95Å; L316-M361 HydrophobicContact CD1-CE 4.12Å; L316-M361 HydrophobicContact CD2-CE 4.29Å; V324-M361 HydrophobicContact CG1-CE 3.89Å; L328-M361 HydrophobicContact CD1-CE 3.9Å; L328-M361 HydrophobicContact CD1-CG 3.63Å; V335-M361 HydrophobicContact CG1-CB 4.46Å; P345-M361 HydrophobicContact CB-CE 3.55Å; P345-M361 HydrophobicContact CB-SD 4.04Å; L346-M361 HydrophobicContact CB-SD 4.39Å; L346-M361 HydrophobicContact CD1-CB 3.88Å; L346-M361 HydrophobicContact CD1-SD 4.29Å; A349-M361 HydrophobicContact CB-SD 4.08Å; V357-M361 HydrophobicContact CG1-CE 3.53Å; V357-M361 HydrophobicContact CG1-CG 4.44Å; V357-M361 HydrophobicContact CG1-SD 4.05Å; V357-M361 WeakPolarHBondContact O-CB 3.46Å; V357-M361 VanDerWaalsContact O-CG 3.26Å; V357-M361 WeakPolarHBondContact O-CG 3.44Å; V357-M361 PolarHBondContact O-N 2.85Å; V358-M361 PolarHBondContact O-N 3.08Å; Q359-M361 PolarHBondContact O-N 2.82Å; M361-K364 CarbonylContact O-C 3.59Å; M361-K364 PolarHBondContact O-N 2.75Å; M361-K365 PolarHBondContact O-N 3.47Å; M361-A366 HydrophobicContact CB-CB 4.08Å; M361-A366 VanDerWaalsContact O-CB 3.28Å; M361-A366 WeakPolarHBondContact O-CB 3.4Å; M361-A366 PolarHBondContact O-N 3.42Å
362V85.2Confident85.4Confident16 Ų1652.9 Ų52.910%0.09727%0.268CS..Hα-helixtrans-71.6-37.3177.8178.30000111.7L346 V358 Q359 L360 K364 K365 I368 Y394 L395 Q398L346-V362 HydrophobicContact CD1-CG2 3.97Å; L346-V362 HydrophobicContact CD2-CG2 4.49Å; V358-V362 WeakPolarHBondContact O-CG2 3.36Å; V358-V362 PolarHBondContact O-N 2.78Å; Q359-V362 PolarHBondContact O-N 2.9Å; L360-V362 PolarHBondContact O-N 2.92Å; V362-K364 PolarHBondContact O-N 3.42Å; V362-K365 WeakPolarHBondContact O-CA 3.49Å; V362-K365 PolarHBondContact O-N 3.36Å; V362-I368 HydrophobicContact CG1-CD1 3.99Å; V362-I368 HydrophobicContact CG2-CD1 4.38Å; V362-I368 HydrophobicContact CG2-CG1 4.24Å; V362-Y394 HydrophobicContact CB-CE1 4Å; V362-Y394 HydrophobicContact CG1-CE1 4.48Å; V362-Y394 HydrophobicContact CG2-CE1 4Å; V362-L395 HydrophobicContact CG2-CD2 4.39Å; V362-Q398 HydrophobicContact CG1-CB 4.17Å; V362-Q398 HydrophobicContact CG1-CG 3.9Å
363E85.7Confident85.6Confident157 Ų15753.4 Ų53.473%0.73427%0.272SS*.Hα-helixtrans-59-37.7170.5-176.7172.4-15800112Q359 L360 K365Q359-E363 PolarHBondContact O-N 3.35Å; L360-E363 PolarHBondContact O-N 3.49Å; E363-K365 PolarHBondContact O-N 3.15Å
364K81.9Confident85.5Confident67 Ų6755.4 Ų55.429%0.29128%0.277SS..THydrogen-bonded Turntrans-787.7174.2-60.6-87.4179.1151.20113.8L328 V335 L360 M361 V362L328-K364 WeakPolarHBondContact O-CE 2.93Å; L328-K364 PolarHBondContact O-NZ 3.45Å; V335-K364 HydrophobicContact CG2-CB 3.93Å; L360-K364 HydrophobicContact CD1-CG 4.1Å; L360-K364 HydrophobicContact CG-CG 4.23Å; L360-K364 WeakPolarHBondContact O-CB 3.37Å; L360-K364 WeakPolarHBondContact O-CG 3.22Å; L360-K364 PolarHBondContact O-N 3.2Å; M361-K364 CarbonylContact O-C 3.59Å; M361-K364 PolarHBondContact O-N 2.75Å; V362-K364 PolarHBondContact O-N 3.42Å
365K82.1Confident85.5Confident175 Ų17558.6 Ų58.676%0.76129%0.292SS*.THydrogen-bonded Turntrans63.351.6-178.9-53.6-179.1-180-179.60114.6N336 M361 V362 E363N336-K365 PolarHBondContact ND2-O 3.27Å; M361-K365 PolarHBondContact O-N 3.47Å; V362-K365 WeakPolarHBondContact O-CA 3.49Å; V362-K365 PolarHBondContact O-N 3.36Å; E363-K365 PolarHBondContact O-N 3.15Å
366A84.5Confident85.5Confident10 Ų1056 Ų568%0.08328%0.278CS..  trans-58.2140.915900000111.3V335 N336 L346 M361 I368V335-A366 HydrophobicContact CG1-CB 3.52Å; N336-A366 WeakPolarHBondContact OD1-CA 3.39Å; L346-A366 HydrophobicContact CB-CB 4.36Å; L346-A366 HydrophobicContact CD1-CB 4.3Å; L346-A366 HydrophobicContact CD2-CB 4.03Å; L346-A366 HydrophobicContact CG-CB 4.47Å; M361-A366 HydrophobicContact CB-CB 4.08Å; M361-A366 VanDerWaalsContact O-CB 3.28Å; M361-A366 WeakPolarHBondContact O-CB 3.4Å; M361-A366 PolarHBondContact O-N 3.42Å; A366-I368 PolarHBondContact O-N 3.33Å
367D84.6Confident85.7Confident79 Ų7952.1 Ų52.142%0.42226%0.259SS..  trans-71.3111.5166.1-173.8-9.1000109.1N336 D369 K370N336-D367 PolarHBondContact OD1-N 3.39Å; D367-D369 PolarHBondContact OD1-N 3.13Å; D367-K370 HydrophobicContact CB-CB 4.01Å; D367-K370 PolarHBondContact OD1-N 2.6Å
368I85.1Confident86Confident22 Ų2252 Ų5211%0.11326%0.259CS..SBendtrans-74.9-33.7-177-63.1174.7000111.2L346 V362 A366 L395 Q398 A400L346-I368 HydrophobicContact CD2-CG1 4.34Å; V362-I368 HydrophobicContact CG1-CD1 3.99Å; V362-I368 HydrophobicContact CG2-CD1 4.38Å; V362-I368 HydrophobicContact CG2-CG1 4.24Å; A366-I368 PolarHBondContact O-N 3.33Å; I368-L395 HydrophobicContact CG2-CD2 4.34Å; I368-Q398 HydrophobicContact CD1-CB 3.82Å; I368-A400 HydrophobicContact CG2-CB 3.42Å; I368-A400 VanDerWaalsContact CG2-CB 3.42Å
369D86.2Confident86.1Confident61 Ų6152.1 Ų52.133%0.32626%0.259SS..SBendtrans-101.5-4.1-169.2-66.8-42.7000112.6D367 Q371 D401 L404D367-D369 PolarHBondContact OD1-N 3.13Å; D369-Q371 PolarHBondContact O-N 3.2Å; D369-D401 PolarHBondContact OD1-N 2.77Å; D369-L404 HydrophobicContact CB-CD1 3.73Å
370K86.7Confident86.3Confident41 Ų4148.2 Ų48.218%0.17824%0.241CC..  trans-46.4134.7166.2-173.1166.7176-176.20110N336 S337 S338 M347 D367N336-K370 PolarHBondContact O-NZ 3.23Å; S337-K370 PolarHBondContact O-NZ 3.44Å; S338-K370 PolarHBondContact OG-NZ 3.18Å; M347-K370 HydrophobicContact CE-CB 4.4Å; M347-K370 HydrophobicContact CE-CG 4.31Å; M347-K370 WeakPolarHBondContact CE-O 3.25Å; D367-K370 HydrophobicContact CB-CB 4.01Å; D367-K370 PolarHBondContact OD1-N 2.6Å
371Q88.9Confident86.6Confident80 Ų8047 Ų4737%0.37424%0.235SC..  trans-107.6146.6177.3-69.5-173.1-38.800110.9D369 G376 W377 T378 R405D369-Q371 PolarHBondContact O-N 3.2Å; Q371-G376 VanDerWaalsContact CD-O 3.28Å; Q371-G376 WeakPolarHBondContact CG-O 3.37Å; Q371-G376 PolarHBondContact NE2-O 2.87Å; Q371-W377 WeakPolarHBondContact CA-O 3.5Å; Q371-T378 HydrophobicContact CG-CG2 3.84Å; Q371-R405 PolarHBondContact NE2-O 3.21Å
372D88.6Confident86.7Confident11 Ų1148.3 Ų48.36%0.05924%0.241CC..  trans-72.4159.6173.488.9-65.3000112.1A343 M347 V374 H375 G376 W377A343-D372 HydrophobicContact CB-CB 4.22Å; M347-D372 HydrophobicContact CE-CB 4.39Å; M347-D372 HydrophobicContact SD-CB 3.94Å; D372-V374 WeakPolarHBondContact OD2-CA 3.41Å; D372-V374 VanDerWaalsContact OD2-CB 3.3Å; D372-V374 WeakPolarHBondContact OD2-CB 3.5Å; D372-V374 PolarHBondContact OD2-N 2.96Å; D372-H375 WeakPolarHBondContact OD1-CA 3.39Å; D372-H375 PolarHBondContact OD1-N 3.23Å; D372-H375 IonicContact OD2-CD2 2.66Å; D372-H375 PolarHBondContact OD2-N 3.04Å; D372-G376 PolarHBondContact O-N 3.2Å; D372-G376 WeakPolarHBondContact OD1-CA 3.45Å; D372-G376 PolarHBondContact OD1-N 3.14Å; D372-W377 PolarHBondContact N-O 3.36Å; D372-W377 PolarHBondContact OD1-N 2.76Å
373S87.4Confident87Confident66 Ų6647.6 Ų47.646%0.46224%0.236SC..THydrogen-bonded Turntrans-84.9-12.9-177.483.90000113.9D341 K407D341-S373 WeakPolarHBondContact O-CA 3.46Å; D341-S373 WeakPolarHBondContact O-CB 3.5Å; D341-S373 PolarHBondContact O-N 3.39Å; D341-S373 PolarHBondContact O-OG 2.88Å; S373-K407 PolarHBondContact O-NZ 3.06Å
374V83.7Confident87.1Confident73 Ų7340.1 Ų40.144%0.44220%0.201SC..THydrogen-bonded Turntrans-88.1-56.6178.7-174.20000110.1D341 D372 K407D341-V374 HydrophobicContact CB-CG2 3.85Å; D372-V374 WeakPolarHBondContact OD2-CA 3.41Å; D372-V374 VanDerWaalsContact OD2-CB 3.3Å; D372-V374 WeakPolarHBondContact OD2-CB 3.5Å; D372-V374 PolarHBondContact OD2-N 2.96Å; V374-K407 WeakPolarHBondContact O-CD 3.48Å
375H83.1Confident87.3Confident93 Ų9342.1 Ų42.143%0.43121%0.208SC..THydrogen-bonded Turntrans-108.2-18.1-169.6-56-71.4000115D372 W377 K407D372-H375 WeakPolarHBondContact OD1-CA 3.39Å; D372-H375 PolarHBondContact OD1-N 3.23Å; D372-H375 IonicContact OD2-CD2 2.66Å; D372-H375 PolarHBondContact OD2-N 3.04Å; H375-W377 VanDerWaalsContact C-N 3.35Å; H375-W377 VanDerWaalsContact CB-CD1 3.42Å; H375-W377 HydrophobicContact CB-CD2 4.22Å; H375-W377 HydrophobicContact CB-CG 3.83Å; H375-K407 WeakPolarHBondContact O-CB 3.47Å; H375-K407 PolarHBondContact O-N 3.22Å
376G86.8Confident87.5Confident1 Ų138.1 Ų38.11%0.0119%0.191CC..  trans76.220.4-170.700000113.6Q371 D372 A406Q371-G376 VanDerWaalsContact CD-O 3.28Å; Q371-G376 WeakPolarHBondContact CG-O 3.37Å; Q371-G376 PolarHBondContact NE2-O 2.87Å; D372-G376 PolarHBondContact O-N 3.2Å; D372-G376 WeakPolarHBondContact OD1-CA 3.45Å; D372-G376 PolarHBondContact OD1-N 3.14Å; G376-A406 WeakPolarHBondContact O-CA 3.35Å
377W89.4Confident87.5Confident31 Ų3138.7 Ų38.712%0.11720%0.198CC..  trans-81.4138.6-178.6-70.517.2000110.7M347 Q371 D372 H375 M381 Q382 Y385 A406 L415M347-W377 WeakPolarHBondContact CE-O 3.46Å; Q371-W377 WeakPolarHBondContact CA-O 3.5Å; D372-W377 PolarHBondContact N-O 3.36Å; D372-W377 PolarHBondContact OD1-N 2.76Å; H375-W377 VanDerWaalsContact C-N 3.35Å; H375-W377 VanDerWaalsContact CB-CD1 3.42Å; H375-W377 HydrophobicContact CB-CD2 4.22Å; H375-W377 HydrophobicContact CB-CG 3.83Å; W377-M381 HydrophobicContact CB-CB 4.03Å; W377-M381 HydrophobicContact CB-SD 4.29Å; W377-M381 HydrophobicContact CG-CB 4.22Å; W377-M381 HydrophobicContact CG-SD 4.35Å; W377-Q382 HydrophobicContact CE3-CG 4.31Å; W377-Y385 HydrophobicContact CH2-CD1 4.19Å; W377-Y385 AromaticContact CH2-CD2 3.92Å; W377-Y385 HydrophobicContact CH2-CD2 3.92Å; W377-Y385 HydrophobicContact CH2-CE1 4.47Å; W377-Y385 HydrophobicContact CH2-CE2 4.21Å; W377-Y385 AromaticContact CH2-CG 3.91Å; W377-Y385 HydrophobicContact CH2-CG 3.91Å; W377-Y385 AromaticContact CZ3-CD1 3.98Å; W377-Y385 HydrophobicContact CZ3-CD1 3.98Å; W377-Y385 HydrophobicContact CZ3-CD2 4.32Å; W377-Y385 AromaticContact CZ3-CG 3.83Å; W377-Y385 HydrophobicContact CZ3-CG 3.83Å; W377-A406 VanDerWaalsContact CD1-CB 3.44Å; W377-L415 HydrophobicContact CD2-CD2 4.48Å; W377-L415 HydrophobicContact CH2-CD1 4.39Å; W377-L415 HydrophobicContact CH2-CD2 4.33Å; W377-L415 HydrophobicContact CZ2-CD1 4.14Å; W377-L415 HydrophobicContact CZ2-CD2 4.26Å; W377-L415 HydrophobicContact CZ3-CD2 4.45Å
378T91Very high87.7Confident1 Ų136.9 Ų36.91%0.00619%0.189CC..  trans-88.4170.617061.70000111.1Q371 L380 M381 Q382 L404Q371-T378 HydrophobicContact CG-CG2 3.84Å; T378-L380 PolarHBondContact O-N 3.35Å; T378-L380 PolarHBondContact OG1-N 2.72Å; T378-M381 PolarHBondContact O-N 3.33Å; T378-M381 VanDerWaalsContact O-N 3.1Å; T378-M381 PolarHBondContact OG1-N 3.08Å; T378-Q382 PolarHBondContact O-N 3.26Å; T378-Q382 VanDerWaalsContact O-N 3.07Å; T378-L404 HydrophobicContact CG2-CB 4.35Å; T378-L404 HydrophobicContact CG2-CD1 3.79Å
379A90.5Very high87.7Confident1 Ų139.5 Ų39.51%0.00820%0.199CC..Hα-helixtrans-58.6-31.9171.800000112.4L346 M347 A350 A383 L395L346-A379 HydrophobicContact CB-CB 4.41Å; L346-A379 HydrophobicContact CD2-CB 3.81Å; L346-A379 HydrophobicContact CG-CB 3.78Å; M347-A379 HydrophobicContact CG-CB 4.2Å; A350-A379 HydrophobicContact CB-CB 4.35Å; A350-A379 WeakPolarHBondContact CB-O 3.22Å; A379-A383 WeakPolarHBondContact O-CB 3.4Å; A379-A383 PolarHBondContact O-N 2.86Å; A379-L395 HydrophobicContact CB-CD1 4.19Å
380L91.3Very high87.8Confident1 Ų140.8 Ų40.81%0.00521%0.206CC..Hα-helixtrans-62.7-48.7172.5-176.968.6000111.3T378 Q382 A383 T384 V392 L395 L396 A400 V402 A412T378-L380 PolarHBondContact O-N 3.35Å; T378-L380 PolarHBondContact OG1-N 2.72Å; L380-Q382 PolarHBondContact O-N 3.06Å; L380-A383 PolarHBondContact O-N 3.22Å; L380-T384 WeakPolarHBondContact O-CG2 3.43Å; L380-T384 PolarHBondContact O-N 3.08Å; L380-T384 PolarHBondContact O-OG1 3.23Å; L380-V392 HydrophobicContact CD1-CG1 3.89Å; L380-L395 HydrophobicContact CD1-CB 4.23Å; L380-L396 HydrophobicContact CD1-CD2 3.97Å; L380-L396 HydrophobicContact CD1-CG 4.03Å; L380-L396 HydrophobicContact CD2-CD2 4.08Å; L380-A400 HydrophobicContact CB-CB 4.4Å; L380-A400 HydrophobicContact CD2-CB 4.19Å; L380-V402 HydrophobicContact CD2-CB 4.38Å; L380-V402 HydrophobicContact CD2-CG1 4.37Å; L380-V402 HydrophobicContact CD2-CG2 4.14Å; L380-A412 HydrophobicContact CD2-CB 4.1Å; L380-A412 HydrophobicContact CG-CB 4.22Å
381M89.6Confident87.9Confident2 Ų239 Ų391%0.0120%0.199CC..Hα-helixtrans-61.1-45179.6-68.1177.3-170.600112W377 T378 T384 Y385 L404 A406 A412 L415W377-M381 HydrophobicContact CB-CB 4.03Å; W377-M381 HydrophobicContact CB-SD 4.29Å; W377-M381 HydrophobicContact CG-CB 4.22Å; W377-M381 HydrophobicContact CG-SD 4.35Å; T378-M381 PolarHBondContact O-N 3.33Å; T378-M381 VanDerWaalsContact O-N 3.1Å; T378-M381 PolarHBondContact OG1-N 3.08Å; M381-T384 VanDerWaalsContact CA-OG1 3.32Å; M381-T384 WeakPolarHBondContact CA-OG1 3.23Å; M381-T384 PolarHBondContact O-N 3.4Å; M381-T384 PolarHBondContact O-OG1 2.99Å; M381-Y385 PolarHBondContact O-N 2.97Å; M381-L404 HydrophobicContact CE-CB 4.24Å; M381-L404 WeakPolarHBondContact CE-O 3.48Å; M381-A406 HydrophobicContact SD-CB 4.02Å; M381-A412 HydrophobicContact CG-CB 3.95Å; M381-L415 HydrophobicContact CB-CD2 4.05Å
382Q89.4Confident87.9Confident27 Ų2735.2 Ų35.213%0.12618%0.181CC..Hα-helixtrans-57.7-49.5174.5-70.1-69.65.200111.8M347 A350 V351 W377 T378 L380 T384 Y385 H386M347-Q382 HydrophobicContact CB-CG 4.27Å; A350-Q382 HydrophobicContact CB-CB 4.38Å; V351-Q382 HydrophobicContact CG2-CB 3.93Å; V351-Q382 HydrophobicContact CG2-CG 4.07Å; V351-Q382 VanDerWaalsContact CG2-OE1 3.32Å; W377-Q382 HydrophobicContact CE3-CG 4.31Å; T378-Q382 PolarHBondContact O-N 3.26Å; T378-Q382 VanDerWaalsContact O-N 3.07Å; L380-Q382 PolarHBondContact O-N 3.06Å; Q382-T384 VanDerWaalsContact C-N 3.28Å; Q382-T384 PolarHBondContact O-N 3.35Å; Q382-Y385 PolarHBondContact O-N 3.48Å; Q382-H386 PolarHBondContact O-CD2 2.88Å; Q382-H386 PolarHBondContact O-N 3.04Å; Q382-H386 VanDerWaalsContact O-N 3.14Å
383A90.3Very high87.9Confident0 Ų039.6 Ų39.60%020%0.199CC..Hα-helixtrans-61.8-35.4177.700000112.7A350 A379 L380 G387 N388 I391 V392 L395A350-A383 HydrophobicContact CB-CB 4.15Å; A379-A383 WeakPolarHBondContact O-CB 3.4Å; A379-A383 PolarHBondContact O-N 2.86Å; L380-A383 PolarHBondContact O-N 3.22Å; A383-G387 PolarHBondContact O-N 3.11Å; A383-N388 HydrophobicContact CB-CB 4.39Å; A383-N388 PolarHBondContact O-N 3.27Å; A383-I391 HydrophobicContact CB-CB 4.27Å; A383-I391 HydrophobicContact CB-CG2 3.62Å; A383-V392 HydrophobicContact CB-CG2 3.52Å; A383-L395 HydrophobicContact CB-CD1 4.43Å
384T87.8Confident88Confident0 Ų038.5 Ų38.50%019%0.185CC..Hα-helixtrans-71.8-39.6176.754.40000113.3L380 M381 Q382 H386 G387 V392 A412 V416 L426 L430L380-T384 WeakPolarHBondContact O-CG2 3.43Å; L380-T384 PolarHBondContact O-N 3.08Å; L380-T384 PolarHBondContact O-OG1 3.23Å; M381-T384 VanDerWaalsContact CA-OG1 3.32Å; M381-T384 WeakPolarHBondContact CA-OG1 3.23Å; M381-T384 PolarHBondContact O-N 3.4Å; M381-T384 PolarHBondContact O-OG1 2.99Å; Q382-T384 VanDerWaalsContact C-N 3.28Å; Q382-T384 PolarHBondContact O-N 3.35Å; T384-H386 VanDerWaalsContact C-N 3.33Å; T384-H386 PolarHBondContact O-N 3.43Å; T384-G387 PolarHBondContact O-N 3.09Å; T384-V392 HydrophobicContact CG2-CG1 4.04Å; T384-V392 HydrophobicContact CG2-CG2 3.71Å; T384-A412 HydrophobicContact CG2-CB 4.47Å; T384-V416 HydrophobicContact CG2-CG2 4.18Å; T384-L426 HydrophobicContact CG2-CD1 4.32Å; T384-L430 HydrophobicContact CG2-CD1 3.78Å; T384-L430 HydrophobicContact CG2-CD2 4.18Å; T384-L430 HydrophobicContact CG2-CG 4.49Å
385Y87.1Confident88.2Confident110 Ų11035 Ų3543%0.43116%0.164SC..Hα-helixtrans-65.5-36.7178.2-176-103.6000112.2W377 M381 Q382 L415 L419W377-Y385 HydrophobicContact CH2-CD1 4.19Å; W377-Y385 AromaticContact CH2-CD2 3.92Å; W377-Y385 HydrophobicContact CH2-CD2 3.92Å; W377-Y385 HydrophobicContact CH2-CE1 4.47Å; W377-Y385 HydrophobicContact CH2-CE2 4.21Å; W377-Y385 AromaticContact CH2-CG 3.91Å; W377-Y385 HydrophobicContact CH2-CG 3.91Å; W377-Y385 AromaticContact CZ3-CD1 3.98Å; W377-Y385 HydrophobicContact CZ3-CD1 3.98Å; W377-Y385 HydrophobicContact CZ3-CD2 4.32Å; W377-Y385 AromaticContact CZ3-CG 3.83Å; W377-Y385 HydrophobicContact CZ3-CG 3.83Å; M381-Y385 PolarHBondContact O-N 2.97Å; Q382-Y385 PolarHBondContact O-N 3.48Å; Y385-L415 HydrophobicContact CD2-CD1 3.98Å; Y385-L415 HydrophobicContact CD2-CD2 4.48Å; Y385-L415 HydrophobicContact CD2-CG 4.22Å; Y385-L419 HydrophobicContact CD2-CD2 3.77Å; Y385-L419 HydrophobicContact CE2-CD2 3.96Å
386H85.6Confident88.4Confident90 Ų9031.7 Ų31.742%0.41715%0.15SC..THydrogen-bonded Turntrans-88.17.1177-71.1-71.9000114.5Q382 T384 N388Q382-H386 PolarHBondContact O-CD2 2.88Å; Q382-H386 PolarHBondContact O-N 3.04Å; Q382-H386 VanDerWaalsContact O-N 3.14Å; T384-H386 VanDerWaalsContact C-N 3.33Å; T384-H386 PolarHBondContact O-N 3.43Å; H386-N388 PolarHBondContact O-N 2.87Å
387G84.9Confident88.4Confident22 Ų2235.4 Ų35.423%0.22718%0.175CC..THydrogen-bonded Turntrans67.417.417700000115.3A383 T384 K389A383-G387 PolarHBondContact O-N 3.11Å; T384-G387 PolarHBondContact O-N 3.09Å; G387-K389 PolarHBondContact O-N 3.18Å
388N87.6Confident88.2Confident42 Ų4238.3 Ų38.323%0.22519%0.19CC..  trans-7767-173-76.7-34.2000112.3A350 V351 A383 H386 D390 I391 V392A350-N388 PolarHBondContact O-ND2 2.97Å; V351-N388 PolarHBondContact O-ND2 3.45Å; A383-N388 HydrophobicContact CB-CB 4.39Å; A383-N388 PolarHBondContact O-N 3.27Å; H386-N388 PolarHBondContact O-N 2.87Å; N388-D390 VanDerWaalsContact C-N 3.32Å; N388-D390 PolarHBondContact O-N 3.3Å; N388-D390 VanDerWaalsContact O-N 3.12Å; N388-I391 HydrophobicContact CB-CB 4.25Å; N388-I391 HydrophobicContact CB-CD1 4.29Å; N388-I391 WeakPolarHBondContact O-CB 3.48Å; N388-I391 PolarHBondContact O-N 3.43Å; N388-V392 PolarHBondContact O-N 3.28Å
389K86.8Confident87.8Confident77 Ų7740.9 Ų40.934%0.33522%0.217SC..Hα-helixtrans-40.4-50-174.4-74.5155.7179.7148.90114.8G387 V392 K393 D423G387-K389 PolarHBondContact O-N 3.18Å; K389-V392 PolarHBondContact O-N 2.96Å; K389-K393 VanDerWaalsContact O-CG 3.31Å; K389-K393 WeakPolarHBondContact O-CG 3.31Å; K389-K393 PolarHBondContact O-N 3.33Å; K389-D423 WeakPolarHBondContact CE-OD1 3.26Å; K389-D423 WeakPolarHBondContact CE-OD2 3.38Å; K389-D423 IonicContact NZ-OD1 2.82Å; K389-D423 PolarHBondContact NZ-OD1 2.95Å; K389-D423 IonicContact NZ-OD2 3.24Å; K389-D423 PolarHBondContact NZ-OD2 3.38Å
390D88Confident87.7Confident88 Ų8841.1 Ų41.147%0.47122%0.219SC..Hα-helixtrans-78-28.2-172.8-59.6-49.5000112.9L355 N388 K393 Y394L355-D390 HydrophobicContact CD2-CB 4.12Å; N388-D390 VanDerWaalsContact C-N 3.32Å; N388-D390 PolarHBondContact O-N 3.3Å; N388-D390 VanDerWaalsContact O-N 3.12Å; D390-K393 WeakPolarHBondContact OD1-CE 3.48Å; D390-K393 IonicContact OD1-NZ 3.19Å; D390-K393 PolarHBondContact OD1-NZ 3.5Å; D390-Y394 WeakPolarHBondContact O-CB 3.28Å; D390-Y394 PolarHBondContact O-N 3.28Å
391I88.6Confident87.3Confident4 Ų444 Ų442%0.02124%0.235CC..Hα-helixtrans-67.3-42.8167.4-68.5176000109.8A350 L355 V358 A383 N388 Y394 L395A350-I391 HydrophobicContact CB-CG2 4.25Å; L355-I391 HydrophobicContact CB-CG1 4.21Å; L355-I391 HydrophobicContact CD1-CG1 3.86Å; V358-I391 HydrophobicContact CG1-CG2 4.29Å; V358-I391 HydrophobicContact CG2-CD1 4.04Å; V358-I391 HydrophobicContact CG2-CG1 4.34Å; V358-I391 HydrophobicContact CG2-CG2 4.28Å; A383-I391 HydrophobicContact CB-CB 4.27Å; A383-I391 HydrophobicContact CB-CG2 3.62Å; N388-I391 HydrophobicContact CB-CB 4.25Å; N388-I391 HydrophobicContact CB-CD1 4.29Å; N388-I391 WeakPolarHBondContact O-CB 3.48Å; N388-I391 PolarHBondContact O-N 3.43Å; I391-Y394 PolarHBondContact O-N 2.93Å; I391-L395 HydrophobicContact CG2-CD1 3.81Å; I391-L395 HydrophobicContact CG2-CG 4.17Å; I391-L395 WeakPolarHBondContact O-CG 3.41Å; I391-L395 PolarHBondContact O-N 2.98Å
392V88.5Confident87Confident0 Ų044.1 Ų44.10%024%0.235CC..Hα-helixtrans-64-46.3177177.80000111.5L380 A383 T384 N388 K389 Y394 L395 L396 L426 L429 L430L380-V392 HydrophobicContact CD1-CG1 3.89Å; A383-V392 HydrophobicContact CB-CG2 3.52Å; T384-V392 HydrophobicContact CG2-CG1 4.04Å; T384-V392 HydrophobicContact CG2-CG2 3.71Å; N388-V392 PolarHBondContact O-N 3.28Å; K389-V392 PolarHBondContact O-N 2.96Å; V392-Y394 VanDerWaalsContact C-N 3.27Å; V392-Y394 PolarHBondContact O-N 3.18Å; V392-L395 PolarHBondContact O-N 2.92Å; V392-L396 HydrophobicContact CG1-CD1 3.73Å; V392-L396 HydrophobicContact CG1-CG 4.25Å; V392-L396 WeakPolarHBondContact O-CB 3.4Å; V392-L396 WeakPolarHBondContact O-CG 3.12Å; V392-L396 PolarHBondContact O-N 3.43Å; V392-L426 HydrophobicContact CB-CD1 3.87Å; V392-L426 HydrophobicContact CG1-CD1 3.68Å; V392-L426 HydrophobicContact CG2-CD1 3.94Å; V392-L429 HydrophobicContact CG1-CD2 3.97Å; V392-L430 HydrophobicContact CG1-CD2 4.28Å
393K87.9Confident86.7Confident102 Ų10247 Ų4744%0.44325%0.252SS..Hα-helixtrans-54.5-44172.1-69.5168.7-161163.50111.6K389 D390 S397 L429K389-K393 VanDerWaalsContact O-CG 3.31Å; K389-K393 WeakPolarHBondContact O-CG 3.31Å; K389-K393 PolarHBondContact O-N 3.33Å; D390-K393 WeakPolarHBondContact OD1-CE 3.48Å; D390-K393 IonicContact OD1-NZ 3.19Å; D390-K393 PolarHBondContact OD1-NZ 3.5Å; K393-S397 WeakPolarHBondContact O-CB 3.4Å; K393-S397 PolarHBondContact O-N 3.34Å; K393-L429 HydrophobicContact CB-CD2 4.45Å; K393-L429 HydrophobicContact CG-CD1 4.41Å; K393-L429 HydrophobicContact CG-CD2 3.65Å
394Y90.3Very high86.4Confident43 Ų4349.2 Ų49.217%0.16926%0.264CS..Hα-helixtrans-66.9-52.1-179.9-179.2-104.9000112V358 Q359 V362 D390 I391 V392 L396 S397 Q398V358-Y394 HydrophobicContact CG1-CD1 3.81Å; V358-Y394 HydrophobicContact CG1-CE1 4.08Å; Q359-Y394 HydrophobicContact CB-CE1 4.42Å; Q359-Y394 HydrophobicContact CG-CD1 4.19Å; Q359-Y394 HydrophobicContact CG-CD2 4.11Å; Q359-Y394 HydrophobicContact CG-CE1 3.92Å; Q359-Y394 HydrophobicContact CG-CE2 3.86Å; Q359-Y394 HydrophobicContact CG-CG 4.27Å; V362-Y394 HydrophobicContact CB-CE1 4Å; V362-Y394 HydrophobicContact CG1-CE1 4.48Å; V362-Y394 HydrophobicContact CG2-CE1 4Å; D390-Y394 WeakPolarHBondContact O-CB 3.28Å; D390-Y394 PolarHBondContact O-N 3.28Å; I391-Y394 PolarHBondContact O-N 2.93Å; V392-Y394 VanDerWaalsContact C-N 3.27Å; V392-Y394 PolarHBondContact O-N 3.18Å; Y394-L396 VanDerWaalsContact C-N 3.3Å; Y394-L396 PolarHBondContact O-N 2.79Å; Y394-S397 WeakPolarHBondContact O-CA 3.35Å; Y394-S397 WeakPolarHBondContact O-CB 3.33Å; Y394-S397 PolarHBondContact O-N 3.02Å; Y394-S397 PolarHBondContact O-OG 3.14Å; Y394-Q398 HydrophobicContact CD1-CG 4.39Å; Y394-Q398 HydrophobicContact CD2-CG 4.44Å; Y394-Q398 HydrophobicContact CE1-CG 3.94Å; Y394-Q398 HydrophobicContact CE2-CG 3.98Å; Y394-Q398 WeakPolarHBondContact O-CG 3.23Å; Y394-Q398 PolarHBondContact O-N 3.47Å
395L88.5Confident86.3Confident0 Ų056.7 Ų56.70%029%0.292CS..Hα-helixtrans-58.9-40.2179.2-67.8175.2000112L346 V358 V362 I368 A379 L380 A383 I391 V392 Q398 G399 A400L346-L395 HydrophobicContact CD2-CD2 4.45Å; V358-L395 HydrophobicContact CG1-CD2 4.09Å; V362-L395 HydrophobicContact CG2-CD2 4.39Å; I368-L395 HydrophobicContact CG2-CD2 4.34Å; A379-L395 HydrophobicContact CB-CD1 4.19Å; L380-L395 HydrophobicContact CD1-CB 4.23Å; A383-L395 HydrophobicContact CB-CD1 4.43Å; I391-L395 HydrophobicContact CG2-CD1 3.81Å; I391-L395 HydrophobicContact CG2-CG 4.17Å; I391-L395 WeakPolarHBondContact O-CG 3.41Å; I391-L395 PolarHBondContact O-N 2.98Å; V392-L395 PolarHBondContact O-N 2.92Å; L395-Q398 CarbonylContact O-C 3.51Å; L395-Q398 PolarHBondContact O-N 2.6Å; L395-G399 PolarHBondContact O-N 3.33Å; L395-A400 HydrophobicContact CB-CB 4.2Å; L395-A400 WeakPolarHBondContact O-CB 3.46Å; L395-A400 PolarHBondContact O-N 2.97Å; L395-A400 VanDerWaalsContact O-N 3.15Å
396L87.2Confident86.4Confident23 Ų2351.8 Ų51.812%0.1227%0.274CS..Hα-helixtrans-65.2-36.8173.6-66.4171.9000112.4L380 V392 Y394 Q398 G399 V402 L429 L430 V433L380-L396 HydrophobicContact CD1-CD2 3.97Å; L380-L396 HydrophobicContact CD1-CG 4.03Å; L380-L396 HydrophobicContact CD2-CD2 4.08Å; V392-L396 HydrophobicContact CG1-CD1 3.73Å; V392-L396 HydrophobicContact CG1-CG 4.25Å; V392-L396 WeakPolarHBondContact O-CB 3.4Å; V392-L396 WeakPolarHBondContact O-CG 3.12Å; V392-L396 PolarHBondContact O-N 3.43Å; Y394-L396 VanDerWaalsContact C-N 3.3Å; Y394-L396 PolarHBondContact O-N 2.79Å; L396-Q398 PolarHBondContact O-N 3.3Å; L396-G399 PolarHBondContact O-N 3.37Å; L396-V402 HydrophobicContact CD2-CG2 3.44Å; L396-V402 VanDerWaalsContact CD2-CG2 3.44Å; L396-L429 HydrophobicContact CD1-CD1 4.39Å; L396-L429 HydrophobicContact CD1-CD2 3.84Å; L396-L429 HydrophobicContact CD1-CG 3.69Å; L396-L430 HydrophobicContact CD1-CD2 4.17Å; L396-L430 HydrophobicContact CD2-CD2 4.46Å; L396-V433 HydrophobicContact CD1-CG2 4.23Å; L396-V433 HydrophobicContact CD2-CG1 4.35Å; L396-V433 HydrophobicContact CD2-CG2 4.33Å
397S87.1Confident86.4Confident79 Ų7954.2 Ų54.255%0.55228%0.283SS*.Hα-helixtrans-66.2-24.817481.70000113.5K393 Y394K393-S397 WeakPolarHBondContact O-CB 3.4Å; K393-S397 PolarHBondContact O-N 3.34Å; Y394-S397 WeakPolarHBondContact O-CA 3.35Å; Y394-S397 WeakPolarHBondContact O-CB 3.33Å; Y394-S397 PolarHBondContact O-N 3.02Å; Y394-S397 PolarHBondContact O-OG 3.14Å
398Q84.3Confident86.2Confident92 Ų9257.2 Ų57.243%0.4329%0.294SS..THydrogen-bonded Turntrans-91.3-1.3176.3-58-56.4-68.100112.9V362 I368 Y394 L395 L396V362-Q398 HydrophobicContact CG1-CB 4.17Å; V362-Q398 HydrophobicContact CG1-CG 3.9Å; I368-Q398 HydrophobicContact CD1-CB 3.82Å; Y394-Q398 HydrophobicContact CD1-CG 4.39Å; Y394-Q398 HydrophobicContact CD2-CG 4.44Å; Y394-Q398 HydrophobicContact CE1-CG 3.94Å; Y394-Q398 HydrophobicContact CE2-CG 3.98Å; Y394-Q398 WeakPolarHBondContact O-CG 3.23Å; Y394-Q398 PolarHBondContact O-N 3.47Å; L395-Q398 CarbonylContact O-C 3.51Å; L395-Q398 PolarHBondContact O-N 2.6Å; L396-Q398 PolarHBondContact O-N 3.3Å
399G82.9Confident86Confident56 Ų5656.1 Ų56.158%0.57729%0.292SS*.THydrogen-bonded Turntrans9517.7170.700000116.8L395 L396 D401L395-G399 PolarHBondContact O-N 3.33Å; L396-G399 PolarHBondContact O-N 3.37Å; G399-D401 PolarHBondContact O-N 2.99Å
400A87.1Confident85.9Confident6 Ų657.5 Ų57.55%0.0530%0.296CS..  trans-50.6133.4176.200000113I368 L380 L395 V402I368-A400 HydrophobicContact CG2-CB 3.42Å; I368-A400 VanDerWaalsContact CG2-CB 3.42Å; L380-A400 HydrophobicContact CB-CB 4.4Å; L380-A400 HydrophobicContact CD2-CB 4.19Å; L395-A400 HydrophobicContact CB-CB 4.2Å; L395-A400 WeakPolarHBondContact O-CB 3.46Å; L395-A400 PolarHBondContact O-N 2.97Å; L395-A400 VanDerWaalsContact O-N 3.15Å; A400-V402 PolarHBondContact O-N 3.16Å
401D84Confident85.9Confident62 Ų6254.6 Ų54.633%0.33228%0.282SS..  trans-79.5109.8-178.1-174.318.1000112.5D369 G399 N403 L404D369-D401 PolarHBondContact OD1-N 2.77Å; G399-D401 PolarHBondContact O-N 2.99Å; D401-N403 PolarHBondContact O-N 3.46Å; D401-N403 VanDerWaalsContact OD1-CB 3.31Å; D401-N403 WeakPolarHBondContact OD1-CB 3.29Å; D401-N403 PolarHBondContact OD1-N 3.36Å; D401-N403 PolarHBondContact OD1-ND2 2.88Å; D401-L404 HydrophobicContact CB-CD1 3.96Å; D401-L404 HydrophobicContact CB-CG 3.95Å; D401-L404 PolarHBondContact O-N 3.37Å
402V82.8Confident85.7Confident3 Ų354.4 Ų54.42%0.01828%0.281CS..THydrogen-bonded Turntrans-70-19.2177.2-1570000112.5L380 L396 A400 A412 L430 V433 C434L380-V402 HydrophobicContact CD2-CB 4.38Å; L380-V402 HydrophobicContact CD2-CG1 4.37Å; L380-V402 HydrophobicContact CD2-CG2 4.14Å; L396-V402 HydrophobicContact CD2-CG2 3.44Å; L396-V402 VanDerWaalsContact CD2-CG2 3.44Å; A400-V402 PolarHBondContact O-N 3.16Å; V402-A412 HydrophobicContact CG1-CB 4.31Å; V402-L430 HydrophobicContact CG1-CD2 3.84Å; V402-V433 HydrophobicContact CG2-CB 4.25Å; V402-V433 HydrophobicContact CG2-CG1 3.68Å; V402-C434 VanDerWaalsContact CG1-SG 3.57Å
403N82.6Confident85.6Confident89 Ų8956.6 Ų56.648%0.47629%0.291SS..THydrogen-bonded Turntrans-84.8-9.9-177.8-53.6-87.8000113.2D401D401-N403 PolarHBondContact O-N 3.46Å; D401-N403 VanDerWaalsContact OD1-CB 3.31Å; D401-N403 WeakPolarHBondContact OD1-CB 3.29Å; D401-N403 PolarHBondContact OD1-N 3.36Å; D401-N403 PolarHBondContact OD1-ND2 2.88Å
404L84.6Confident85.4Confident46 Ų4654.6 Ų54.624%0.24129%0.285CS..  trans-58145.6172.8-73.3169.7000110.4D369 T378 M381 D401D369-L404 HydrophobicContact CB-CD1 3.73Å; T378-L404 HydrophobicContact CG2-CB 4.35Å; T378-L404 HydrophobicContact CG2-CD1 3.79Å; M381-L404 HydrophobicContact CE-CB 4.24Å; M381-L404 WeakPolarHBondContact CE-O 3.48Å; D401-L404 HydrophobicContact CB-CD1 3.96Å; D401-L404 HydrophobicContact CB-CG 3.95Å; D401-L404 PolarHBondContact O-N 3.37Å
405R86.8Confident85.1Confident156 Ų15653.1 Ų53.159%0.58928%0.28SS*.  trans-119.7131.7-175.2-62.2179.369.1-143.43110Q371 G409 Y410 T411Q371-R405 PolarHBondContact NE2-O 3.21Å; R405-G409 VanDerWaalsContact CZ-O 3.23Å; R405-G409 PolarHBondContact NE-O 3.17Å; R405-G409 PolarHBondContact NH2-O 3.06Å; R405-Y410 WeakPolarHBondContact CA-O 3.36Å; R405-T411 HydrophobicContact CG-CG2 4.08Å
406A87.9Confident84.9Confident7 Ų753.1 Ų53.16%0.05828%0.28CS..  trans-66.1167.716800000111.1G376 W377 M381 N408 G409 Y410G376-A406 WeakPolarHBondContact O-CA 3.35Å; W377-A406 VanDerWaalsContact CD1-CB 3.44Å; M381-A406 HydrophobicContact SD-CB 4.02Å; A406-N408 WeakPolarHBondContact CB-OD1 3.4Å; A406-N408 PolarHBondContact O-N 3.48Å; A406-G409 WeakPolarHBondContact O-CA 3.49Å; A406-G409 PolarHBondContact O-N 3.05Å; A406-Y410 PolarHBondContact N-O 2.95Å
407K85.4Confident84.7Confident141 Ų14156.3 Ų56.361%0.61330%0.295SS*.THydrogen-bonded Turntrans-63-26.7-179.1-68.7-179.7179.1-172.40113.6S373 V374 H375 G409S373-K407 PolarHBondContact O-NZ 3.06Å; V374-K407 WeakPolarHBondContact O-CD 3.48Å; H375-K407 WeakPolarHBondContact O-CB 3.47Å; H375-K407 PolarHBondContact O-N 3.22Å; K407-G409 PolarHBondContact O-N 2.88Å
408N81.9Confident84.4Confident86 Ų8657.2 Ų57.246%0.4629%0.293SS..THydrogen-bonded Turntrans-74.8-6.917159.518000113.3A406 Y410A406-N408 WeakPolarHBondContact CB-OD1 3.4Å; A406-N408 PolarHBondContact O-N 3.48Å; N408-Y410 HydrophobicContact CB-CD2 4.14Å; N408-Y410 HydrophobicContact CB-CE2 4.38Å; N408-Y410 VanDerWaalsContact CG-CD2 3.42Å; N408-Y410 WeakPolarHBondContact OD1-CD2 3.18Å; N408-Y410 PolarHBondContact OD1-N 3.19Å; N408-Y410 VanDerWaalsContact OD1-N 3.12Å
409G82.3Confident84.1Confident18 Ų1854.8 Ų54.819%0.18628%0.283CS..SBendtrans90.2-0.4176.600000115.7R405 A406 K407R405-G409 VanDerWaalsContact CZ-O 3.23Å; R405-G409 PolarHBondContact NE-O 3.17Å; R405-G409 PolarHBondContact NH2-O 3.06Å; A406-G409 WeakPolarHBondContact O-CA 3.49Å; A406-G409 PolarHBondContact O-N 3.05Å; K407-G409 PolarHBondContact O-N 2.88Å
410Y85.8Confident83.3Confident106 Ų10659.8 Ų59.842%0.41630%0.296SS..  trans-81.5146.6177.7-62.7-54000112.2R405 A406 N408 D414 L418R405-Y410 WeakPolarHBondContact CA-O 3.36Å; A406-Y410 PolarHBondContact N-O 2.95Å; N408-Y410 HydrophobicContact CB-CD2 4.14Å; N408-Y410 HydrophobicContact CB-CE2 4.38Å; N408-Y410 VanDerWaalsContact CG-CD2 3.42Å; N408-Y410 WeakPolarHBondContact OD1-CD2 3.18Å; N408-Y410 PolarHBondContact OD1-N 3.19Å; N408-Y410 VanDerWaalsContact OD1-N 3.12Å; Y410-D414 HydrophobicContact CD1-CB 3.85Å; Y410-D414 HydrophobicContact CG-CB 4.29Å; Y410-L418 HydrophobicContact CD1-CD1 4.25Å; Y410-L418 HydrophobicContact CD2-CD1 3.88Å; Y410-L418 HydrophobicContact CE1-CD1 4.07Å; Y410-L418 HydrophobicContact CE2-CD1 3.71Å; Y410-L418 HydrophobicContact CG-CD1 4.18Å
411T87.7Confident82.6Confident27 Ų2766.4 Ų66.417%0.16633%0.331CS..  trans-87.6171.9166.164.60000111.1R405 F413 D414 L415R405-T411 HydrophobicContact CG-CG2 4.08Å; T411-F413 PolarHBondContact O-N 3.22Å; T411-F413 PolarHBondContact OG1-N 2.8Å; T411-D414 WeakPolarHBondContact CB-OD2 3.49Å; T411-D414 PolarHBondContact N-OD2 2.78Å; T411-D414 PolarHBondContact O-N 3.15Å; T411-D414 PolarHBondContact OG1-N 2.99Å; T411-D414 PolarHBondContact OG1-OD2 2.87Å; T411-L415 WeakPolarHBondContact O-CB 3.35Å; T411-L415 PolarHBondContact O-N 2.88Å
412A84.6Confident82Confident1 Ų166 Ų661%0.00833%0.332CS..Hα-helixtrans-59.9-29.9171.400000112.8L380 M381 T384 V402 V416L380-A412 HydrophobicContact CD2-CB 4.1Å; L380-A412 HydrophobicContact CG-CB 4.22Å; M381-A412 HydrophobicContact CG-CB 3.95Å; T384-A412 HydrophobicContact CG2-CB 4.47Å; V402-A412 HydrophobicContact CG1-CB 4.31Å; A412-V416 PolarHBondContact O-N 2.91Å
413F85.6Confident81.7Confident46 Ų4668.4 Ų68.420%0.20234%0.344CS..Hα-helixtrans-70.1-46.4174.6-179.6-95.4000111.9T411 L415 V416 M417 V427 L430 A431T411-F413 PolarHBondContact O-N 3.22Å; T411-F413 PolarHBondContact OG1-N 2.8Å; F413-L415 VanDerWaalsContact C-N 3.27Å; F413-L415 PolarHBondContact O-N 3Å; F413-V416 PolarHBondContact O-N 2.95Å; F413-M417 HydrophobicContact CD1-CG 4.37Å; F413-M417 HydrophobicContact CE1-CG 3.95Å; F413-M417 HydrophobicContact CE1-SD 4.23Å; F413-M417 HydrophobicContact CZ-CG 4.25Å; F413-M417 HydrophobicContact CZ-SD 4.03Å; F413-M417 WeakPolarHBondContact O-CG 3.49Å; F413-M417 PolarHBondContact O-N 3.19Å; F413-V427 HydrophobicContact CE2-CG1 3.99Å; F413-V427 HydrophobicContact CZ-CG1 4.4Å; F413-L430 HydrophobicContact CD2-CB 3.97Å; F413-A431 HydrophobicContact CE2-CB 3.94Å
414D84.4Confident81.5Confident59 Ų5969.5 Ų69.532%0.31635%0.354SS..Hα-helixtrans-63-36.3178.1-52.7-56.1000111.2Y410 T411 V416 M417 L418Y410-D414 HydrophobicContact CD1-CB 3.85Å; Y410-D414 HydrophobicContact CG-CB 4.29Å; T411-D414 WeakPolarHBondContact CB-OD2 3.49Å; T411-D414 PolarHBondContact N-OD2 2.78Å; T411-D414 PolarHBondContact O-N 3.15Å; T411-D414 PolarHBondContact OG1-N 2.99Å; T411-D414 PolarHBondContact OG1-OD2 2.87Å; D414-V416 PolarHBondContact O-N 2.87Å; D414-M417 WeakPolarHBondContact O-CB 3.33Å; D414-M417 PolarHBondContact O-N 2.71Å; D414-M417 VanDerWaalsContact O-N 3.12Å; D414-L418 WeakPolarHBondContact O-CG 3.38Å; D414-L418 PolarHBondContact O-N 2.69Å
415L84.4Confident81.3Confident13 Ų1371.7 Ų71.77%0.06836%0.363CS..Hα-helixtrans-63.1-38.2179.2-171.458.3000112.5W377 M381 Y385 T411 F413 M417 L418W377-L415 HydrophobicContact CD2-CD2 4.48Å; W377-L415 HydrophobicContact CH2-CD1 4.39Å; W377-L415 HydrophobicContact CH2-CD2 4.33Å; W377-L415 HydrophobicContact CZ2-CD1 4.14Å; W377-L415 HydrophobicContact CZ2-CD2 4.26Å; W377-L415 HydrophobicContact CZ3-CD2 4.45Å; M381-L415 HydrophobicContact CB-CD2 4.05Å; Y385-L415 HydrophobicContact CD2-CD1 3.98Å; Y385-L415 HydrophobicContact CD2-CD2 4.48Å; Y385-L415 HydrophobicContact CD2-CG 4.22Å; T411-L415 WeakPolarHBondContact O-CB 3.35Å; T411-L415 PolarHBondContact O-N 2.88Å; F413-L415 VanDerWaalsContact C-N 3.27Å; F413-L415 PolarHBondContact O-N 3Å; L415-M417 VanDerWaalsContact C-N 3.33Å; L415-L418 PolarHBondContact O-N 2.85Å
416V84.3Confident81.1Confident0 Ų064.3 Ų64.30%034%0.336CS..Hα-helixtrans-68.5-32.7173.7179.10000111.6T384 A412 F413 D414 L418 L419 P422 L426 V427 L430T384-V416 HydrophobicContact CG2-CG2 4.18Å; A412-V416 PolarHBondContact O-N 2.91Å; F413-V416 PolarHBondContact O-N 2.95Å; D414-V416 PolarHBondContact O-N 2.87Å; V416-L418 PolarHBondContact O-N 3.25Å; V416-L419 PolarHBondContact O-N 3.36Å; V416-P422 HydrophobicContact CG1-CB 4.34Å; V416-P422 WeakPolarHBondContact O-CB 3.41Å; V416-L426 HydrophobicContact CG1-CD2 4.07Å; V416-L426 HydrophobicContact CG1-CG 4.37Å; V416-L426 HydrophobicContact CG2-CD2 3.65Å; V416-L426 HydrophobicContact CG2-CG 4.06Å; V416-V427 HydrophobicContact CG1-CG2 3.6Å; V416-L430 HydrophobicContact CB-CD1 4.37Å; V416-L430 HydrophobicContact CG2-CD1 3.61Å
417M82.7Confident80.8Confident90 Ų9065.4 Ų65.444%0.44334%0.342SS..THydrogen-bonded Turntrans-70.3-10.2174.5-58.3-78.58100113.9F413 D414 L415 P422 V427F413-M417 HydrophobicContact CD1-CG 4.37Å; F413-M417 HydrophobicContact CE1-CG 3.95Å; F413-M417 HydrophobicContact CE1-SD 4.23Å; F413-M417 HydrophobicContact CZ-CG 4.25Å; F413-M417 HydrophobicContact CZ-SD 4.03Å; F413-M417 WeakPolarHBondContact O-CG 3.49Å; F413-M417 PolarHBondContact O-N 3.19Å; D414-M417 WeakPolarHBondContact O-CB 3.33Å; D414-M417 PolarHBondContact O-N 2.71Å; D414-M417 VanDerWaalsContact O-N 3.12Å; L415-M417 VanDerWaalsContact C-N 3.33Å; M417-P422 HydrophobicContact CE-CB 4.2Å; M417-V427 HydrophobicContact CE-CB 4.19Å; M417-V427 HydrophobicContact CE-CG1 3.66Å; M417-V427 HydrophobicContact CE-CG2 3.37Å
418L79.8Confident80.6Confident97 Ų9763.5 Ų63.551%0.50833%0.331SS..THydrogen-bonded Turntrans-100.6-2.3176.4-66.4170.8000113.3Y410 D414 L415 V416Y410-L418 HydrophobicContact CD1-CD1 4.25Å; Y410-L418 HydrophobicContact CD2-CD1 3.88Å; Y410-L418 HydrophobicContact CE1-CD1 4.07Å; Y410-L418 HydrophobicContact CE2-CD1 3.71Å; Y410-L418 HydrophobicContact CG-CD1 4.18Å; D414-L418 WeakPolarHBondContact O-CG 3.38Å; D414-L418 PolarHBondContact O-N 2.69Å; L415-L418 PolarHBondContact O-N 2.85Å; V416-L418 PolarHBondContact O-N 3.25Å
419L79.3Confident80.6Confident41 Ų4161.2 Ų61.222%0.21532%0.318CS..SBendtrans-77.4139.3170.3-59.5177.2000109.4Y385 V416 D421Y385-L419 HydrophobicContact CD2-CD2 3.77Å; Y385-L419 HydrophobicContact CE2-CD2 3.96Å; V416-L419 PolarHBondContact O-N 3.36Å; L419-D421 VanDerWaalsContact C-N 3.25Å; L419-D421 PolarHBondContact O-N 2.76Å
420N66.6Low80.7Confident161 Ų16160.4 Ų60.486%0.86131%0.31SS*.SBendtrans-58.2-39.2179.8-67.7-12000112.2P422N420-P422 WeakPolarHBondContact O-CD 3.2Å
421D70.7Confident80.4Confident146 Ų14656.3 Ų56.378%0.78130%0.298SS*.SBendtrans-116.985.9176-65.7-69000109.6L419 D423L419-D421 VanDerWaalsContact C-N 3.25Å; L419-D421 PolarHBondContact O-N 2.76Å; D421-D423 PolarHBondContact O-N 3.35Å
422P71.6Confident80Confident53 Ų5357.4 Ų57.434%0.34431%0.307SS..  trans-75.5109.4-175.829.7-34.4000110.9V416 M417 N420 T424 V427V416-P422 HydrophobicContact CG1-CB 4.34Å; V416-P422 WeakPolarHBondContact O-CB 3.41Å; M417-P422 HydrophobicContact CE-CB 4.2Å; N420-P422 WeakPolarHBondContact O-CD 3.2Å; P422-T424 PolarHBondContact O-N 2.8Å; P422-V427 HydrophobicContact CB-CG2 4.19Å
423D76.1Confident79.4Confident53 Ų5359.5 Ų59.528%0.28332%0.319SS..  trans-52.3109.1179.7-107.5-46.9000112.4K389 D421 E425 L426 V427K389-D423 WeakPolarHBondContact CE-OD1 3.26Å; K389-D423 WeakPolarHBondContact CE-OD2 3.38Å; K389-D423 IonicContact NZ-OD1 2.82Å; K389-D423 PolarHBondContact NZ-OD1 2.95Å; K389-D423 IonicContact NZ-OD2 3.24Å; K389-D423 PolarHBondContact NZ-OD2 3.38Å; D421-D423 PolarHBondContact O-N 3.35Å; D423-E425 VanDerWaalsContact C-N 3.29Å; D423-E425 PolarHBondContact O-N 3.23Å; D423-L426 HydrophobicContact CB-CB 3.65Å; D423-L426 HydrophobicContact CB-CD2 4.36Å; D423-L426 WeakPolarHBondContact O-CA 3.36Å; D423-L426 VanDerWaalsContact O-CB 3.28Å; D423-L426 WeakPolarHBondContact O-CB 3.48Å; D423-L426 PolarHBondContact O-N 3.33Å; D423-V427 WeakPolarHBondContact O-CG2 3.1Å; D423-V427 PolarHBondContact O-N 2.9Å
424T79.6Confident78.5Confident112 Ų11259.6 Ų59.669%0.68733%0.325SS*.Hα-helixtrans-59.1-38.2-169.754.70000113.1P422 R428P422-T424 PolarHBondContact O-N 2.8Å; T424-R428 VanDerWaalsContact O-CB 3.3Å; T424-R428 WeakPolarHBondContact O-CB 3.18Å; T424-R428 PolarHBondContact O-N 3.06Å
425E79.4Confident77.4Confident92 Ų9261.3 Ų61.343%0.4333%0.332SS..Hα-helixtrans-65.7-36.6172.4-85-61.9110.800112.9D423 R428 L429D423-E425 VanDerWaalsContact C-N 3.29Å; D423-E425 PolarHBondContact O-N 3.23Å; E425-R428 PolarHBondContact O-N 3.18Å; E425-R428 IonicContact OE1-CZ 3.85Å; E425-R428 IonicContact OE1-NE 3.36Å; E425-R428 PolarHBondContact OE1-NE 3.05Å; E425-R428 IonicContact OE1-NH2 3.69Å; E425-R428 PolarHBondContact OE1-NH2 3.17Å; E425-R428 IonicContact OE2-CZ 2.83Å; E425-R428 IonicContact OE2-NE 3.61Å; E425-R428 IonicContact OE2-NH2 3.99Å; E425-R428 PolarHBondContact OE2-NH2 2.91Å; E425-L429 WeakPolarHBondContact O-CB 3.18Å; E425-L429 PolarHBondContact O-N 3.41Å
426L82.7Confident76.1Confident1 Ų167.7 Ų67.71%0.00536%0.362CS..Hα-helixtrans-69.2-42.6178.5-171.466.1000110.9T384 V392 V416 D423 L429 L430T384-L426 HydrophobicContact CG2-CD1 4.32Å; V392-L426 HydrophobicContact CB-CD1 3.87Å; V392-L426 HydrophobicContact CG1-CD1 3.68Å; V392-L426 HydrophobicContact CG2-CD1 3.94Å; V416-L426 HydrophobicContact CG1-CD2 4.07Å; V416-L426 HydrophobicContact CG1-CG 4.37Å; V416-L426 HydrophobicContact CG2-CD2 3.65Å; V416-L426 HydrophobicContact CG2-CG 4.06Å; D423-L426 HydrophobicContact CB-CB 3.65Å; D423-L426 HydrophobicContact CB-CD2 4.36Å; D423-L426 WeakPolarHBondContact O-CA 3.36Å; D423-L426 VanDerWaalsContact O-CB 3.28Å; D423-L426 WeakPolarHBondContact O-CB 3.48Å; D423-L426 PolarHBondContact O-N 3.33Å; L426-L429 PolarHBondContact O-N 3.01Å; L426-L430 HydrophobicContact CG-CD1 4.25Å; L426-L430 WeakPolarHBondContact O-CG 3.27Å; L426-L430 PolarHBondContact O-N 3.47Å
427V82.6Confident74.5Confident31 Ų3171.5 Ų71.519%0.18839%0.385CS..Hα-helixtrans-58.8-48.8171.7179.90000110.6F413 V416 M417 P422 D423 L429 A431F413-V427 HydrophobicContact CE2-CG1 3.99Å; F413-V427 HydrophobicContact CZ-CG1 4.4Å; V416-V427 HydrophobicContact CG1-CG2 3.6Å; M417-V427 HydrophobicContact CE-CB 4.19Å; M417-V427 HydrophobicContact CE-CG1 3.66Å; M417-V427 HydrophobicContact CE-CG2 3.37Å; P422-V427 HydrophobicContact CB-CG2 4.19Å; D423-V427 WeakPolarHBondContact O-CG2 3.1Å; D423-V427 PolarHBondContact O-N 2.9Å; V427-L429 PolarHBondContact O-N 2.93Å; V427-A431 WeakPolarHBondContact O-CB 3.45Å; V427-A431 PolarHBondContact O-N 3.18Å
428R81.8Confident72.5Confident100 Ų10072.8 Ų72.838%0.37739%0.394SS..Hα-helixtrans-63.7-39.7179.9-166.2-178.169.476.79.4112T424 E425 S432T424-R428 VanDerWaalsContact O-CB 3.3Å; T424-R428 WeakPolarHBondContact O-CB 3.18Å; T424-R428 PolarHBondContact O-N 3.06Å; E425-R428 PolarHBondContact O-N 3.18Å; E425-R428 IonicContact OE1-CZ 3.85Å; E425-R428 IonicContact OE1-NE 3.36Å; E425-R428 PolarHBondContact OE1-NE 3.05Å; E425-R428 IonicContact OE1-NH2 3.69Å; E425-R428 PolarHBondContact OE1-NH2 3.17Å; E425-R428 IonicContact OE2-CZ 2.83Å; E425-R428 IonicContact OE2-NE 3.61Å; E425-R428 IonicContact OE2-NH2 3.99Å; E425-R428 PolarHBondContact OE2-NH2 2.91Å; R428-S432 WeakPolarHBondContact O-CB 3.49Å; R428-S432 PolarHBondContact O-N 2.87Å; R428-S432 PolarHBondContact O-OG 2.97Å
429L81.6Confident70.9Confident39 Ų3976.4 Ų76.420%0.20441%0.405CS..Hα-helixtrans-63.3-57.2177.5-176.769.4000110.8V392 K393 L396 E425 L426 V427 A431 S432 V433V392-L429 HydrophobicContact CG1-CD2 3.97Å; K393-L429 HydrophobicContact CB-CD2 4.45Å; K393-L429 HydrophobicContact CG-CD1 4.41Å; K393-L429 HydrophobicContact CG-CD2 3.65Å; L396-L429 HydrophobicContact CD1-CD1 4.39Å; L396-L429 HydrophobicContact CD1-CD2 3.84Å; L396-L429 HydrophobicContact CD1-CG 3.69Å; E425-L429 WeakPolarHBondContact O-CB 3.18Å; E425-L429 PolarHBondContact O-N 3.41Å; L426-L429 PolarHBondContact O-N 3.01Å; V427-L429 PolarHBondContact O-N 2.93Å; L429-A431 PolarHBondContact O-N 3.43Å; L429-S432 PolarHBondContact O-N 2.91Å; L429-S432 VanDerWaalsContact O-N 3.13Å; L429-S432 PolarHBondContact O-OG 3.05Å; L429-V433 PolarHBondContact O-N 2.9Å
430L82.9Confident68.8Low0 Ų081.3 Ų81.30%043%0.432CS..Hα-helixtrans-61-43.2179.3-67.6166.8000111.8T384 V392 L396 V402 F413 V416 L426 S432 V433 C434T384-L430 HydrophobicContact CG2-CD1 3.78Å; T384-L430 HydrophobicContact CG2-CD2 4.18Å; T384-L430 HydrophobicContact CG2-CG 4.49Å; V392-L430 HydrophobicContact CG1-CD2 4.28Å; L396-L430 HydrophobicContact CD1-CD2 4.17Å; L396-L430 HydrophobicContact CD2-CD2 4.46Å; V402-L430 HydrophobicContact CG1-CD2 3.84Å; F413-L430 HydrophobicContact CD2-CB 3.97Å; V416-L430 HydrophobicContact CB-CD1 4.37Å; V416-L430 HydrophobicContact CG2-CD1 3.61Å; L426-L430 HydrophobicContact CG-CD1 4.25Å; L426-L430 WeakPolarHBondContact O-CG 3.27Å; L426-L430 PolarHBondContact O-N 3.47Å; L430-S432 VanDerWaalsContact C-N 3.29Å; L430-S432 PolarHBondContact O-N 3.15Å; L430-V433 PolarHBondContact O-N 3.05Å; L430-C434 WeakPolarHBondContact O-CB 3.37Å; L430-C434 PolarHBondContact O-N 3.24Å; L430-C434 PolarHBondContact O-SG 3.27Å
431A79.9Confident67.5Low21 Ų2182.1 Ų82.117%0.17443%0.428CS..Hα-helixtrans-59.9-37.9175.500000112.4F413 V427 L429 M435F413-A431 HydrophobicContact CE2-CB 3.94Å; V427-A431 WeakPolarHBondContact O-CB 3.45Å; V427-A431 PolarHBondContact O-N 3.18Å; L429-A431 PolarHBondContact O-N 3.43Å; A431-M435 WeakPolarHBondContact O-CB 3.44Å; A431-M435 VanDerWaalsContact O-CG 3.25Å; A431-M435 WeakPolarHBondContact O-CG 3.23Å; A431-M435 PolarHBondContact O-N 2.72Å
432S79.9Confident65.8Low50 Ų5080.1 Ų80.135%0.3543%0.425SS..Hα-helixtrans-68.1-38.8-179.770.60000112.6R428 L429 L430 M435 Q436R428-S432 WeakPolarHBondContact O-CB 3.49Å; R428-S432 PolarHBondContact O-N 2.87Å; R428-S432 PolarHBondContact O-OG 2.97Å; L429-S432 PolarHBondContact O-N 2.91Å; L429-S432 VanDerWaalsContact O-N 3.13Å; L429-S432 PolarHBondContact O-OG 3.05Å; L430-S432 VanDerWaalsContact C-N 3.29Å; L430-S432 PolarHBondContact O-N 3.15Å; S432-M435 PolarHBondContact O-N 2.85Å; S432-Q436 WeakPolarHBondContact O-CG 3.47Å; S432-Q436 PolarHBondContact O-N 3.4Å
433V70.9Confident64.1Low44 Ų4486.1 Ų86.127%0.26745%0.446SS..Hα-helixtrans-70.5-43.7174.4-179.10000111.4L396 V402 L429 L430 M435 Q436L396-V433 HydrophobicContact CD1-CG2 4.23Å; L396-V433 HydrophobicContact CD2-CG1 4.35Å; L396-V433 HydrophobicContact CD2-CG2 4.33Å; V402-V433 HydrophobicContact CG2-CB 4.25Å; V402-V433 HydrophobicContact CG2-CG1 3.68Å; L429-V433 PolarHBondContact O-N 2.9Å; L430-V433 PolarHBondContact O-N 3.05Å; V433-M435 PolarHBondContact O-N 3.46Å; V433-M435 VanDerWaalsContact O-N 3.11Å; V433-Q436 PolarHBondContact O-N 3.45Å
434C66.9Low62Low48 Ų4892.5 Ų92.532%0.32447%0.474SS..Hα-helixtrans-58.9-24.3173.7-66.60000113V402 L430V402-C434 VanDerWaalsContact CG1-SG 3.57Å; L430-C434 WeakPolarHBondContact O-CB 3.37Å; L430-C434 PolarHBondContact O-N 3.24Å; L430-C434 PolarHBondContact O-SG 3.27Å
435M61.5Low59.7Low95 Ų95100 Ų10047%0.46849%0.489SS..THydrogen-bonded Turntrans-92-3.5176.7-74.9-179.75400114.6A431 S432 V433A431-M435 WeakPolarHBondContact O-CB 3.44Å; A431-M435 VanDerWaalsContact O-CG 3.25Å; A431-M435 WeakPolarHBondContact O-CG 3.23Å; A431-M435 PolarHBondContact O-N 2.72Å; S432-M435 PolarHBondContact O-N 2.85Å; V433-M435 PolarHBondContact O-N 3.46Å; V433-M435 VanDerWaalsContact O-N 3.11Å
436Q58Low57.1Low147 Ų14798.3 Ų98.369%0.68750%0.497SS*.  trans-95-5.6-178.8-86.5174.2-20.400114.6S432 V433S432-Q436 WeakPolarHBondContact O-CG 3.47Å; S432-Q436 PolarHBondContact O-N 3.4Å; V433-Q436 PolarHBondContact O-N 3.45Å
437V49.2Very low54.6Low81 Ų81109.8 Ų109.849%0.49154%0.54SS..SBendtrans-68.5136170.4-1720000110.2
438D41.3Very low51.9Low117 Ų117112.5 Ų112.563%0.62657%0.565SS**SBendtrans64.765.5177-62.8-28.7000117.5K441D438-K441 WeakPolarHBondContact OD1-CD 3.32Å; D438-K441 IonicContact OD1-NZ 3.01Å; D438-K441 PolarHBondContact OD1-NZ 2.87Å
439K45.6Very low49.4Very low172 Ų172115 Ų11575%0.74859%0.586SS**SBendtrans-108.1-39.2151.3-159.5175-178.2-175.10113.8
440D37Very low47.1Very low145 Ų145120.7 Ų120.778%0.77561%0.614SS**THydrogen-bonded Turntrans-102.510-160.4-58.5-52.6000116.5
441K38.6Very low44.3Very low177 Ų177125.8 Ų125.877%0.7765%0.65SS**THydrogen-bonded Turntrans-86.2-0.3178.4-72.1179.9-170.51490115.6D438D438-K441 WeakPolarHBondContact OD1-CD 3.32Å; D438-K441 IonicContact OD1-NZ 3.01Å; D438-K441 PolarHBondContact OD1-NZ 2.87Å
442S33.6Very low42Very low105 Ų105134 Ų13473%0.73469%0.685SS**SBendtrans-96.7-15.6-172.865.80000115.9
443K37.3Very low39.3Very low179 Ų179137 Ų13778%0.77871%0.706SS**SBendtrans-14581.3-175.6-71.6-172.1177.6-178.90113.7
444H31.5Very low37.7Very low187 Ų187145 Ų14587%0.86674%0.737SS**  trans-164.874.9146.5-110.771.7000112.5
445R30.5Very low35.6Very low269 Ų269147.7 Ų147.7100%1.01576%0.756SS**  trans-87.996.3153.9-86.5-167.9179-120.15.2107.4
446G26.1Very low34.4Very low57 Ų57155.1 Ų155.159%0.58878%0.779SS**  trans-165.958.8-166.400000117.5
447R29.6Very low33Very low242 Ų242156.9 Ų156.991%0.91379%0.787SS**  trans47.587.7146.1-155.5178.8-164.4174.24120.3
448A25.6Very low31.9Very low87 Ų87158 Ų15872%0.71980%0.799SS**  76155123.900000123.8
449L29.3Very low31.3Very low153 Ų153160.8 Ų160.880%0.80181%0.813SS**  trans79.4104.5163-97.674.3000121.8
450I33.6Very low30.8Very low158 Ų158159 Ų15981%0.8181%0.812SS**  40.3116.4122.8-53.8172000118.6
451S24.2Very low30.4Very low107 Ų107159.9 Ų159.975%0.74882%0.816SS**  -169145.2114.9-166.40000113.1
452H30.7Very low30.1Very low194 Ų194158 Ų15890%0.89881%0.813SS**  trans-99122.7161.1-82.9-71000109.5
453S24.7Very low30Very low114 Ų114158.7 Ų158.780%0.79782%0.815SS**  trans-154.2152.4152.367.20000111.6
454K36.8Very low29.8Very low212 Ų212156 Ų15692%0.92281%0.813SS**  trans-79.6132.8-179.9-61.8172-179.3176.60109.6
455S23.5Very low30.1Very low104 Ų104150.5 Ų150.573%0.72779%0.794SS**  trans-140.2144.4159.3-169.50000110Q457S455-Q457 PolarHBondContact O-N 3.12Å
456R34.8Very low30.5Very low250 Ų250143.1 Ų143.194%0.94378%0.781SS**  trans-73.6114.9174.5-67.2174.9178.3147.2-3.8107.9
457Q29.2Very low30.8Very low184 Ų184148.1 Ų148.186%0.8679%0.794SS**  trans-106.7141.3169.7-76-180-40.600110.4S455S455-Q457 PolarHBondContact O-N 3.12Å
458S26.1Very low31.7Very low106 Ų106141.8 Ų141.874%0.74178%0.779SS**  trans-66.9138.9-163.745.20000113.8N460S458-N460 VanDerWaalsContact C-N 3.28Å; S458-N460 PolarHBondContact O-N 3Å
459L29.9Very low32.4Very low174 Ų174146.6 Ų146.691%0.91178%0.783SS**SBendtrans-6089.1157.1-72.1165.1000109.7
460N34.3Very low33.2Very low136 Ų136141.7 Ų141.773%0.72777%0.77SS**  trans-176.389.1156.3-98.9-20.1000109.6S458S458-N460 VanDerWaalsContact C-N 3.28Å; S458-N460 PolarHBondContact O-N 3Å
461N29.2Very low34.2Very low163 Ų163137.4 Ų137.487%0.87275%0.754SS**  trans-154.858.4161.1-121.9-1.6000110P463N461-P463 WeakPolarHBondContact O-CD 3.31Å
462I31.8Very low35.2Very low137 Ų137137.3 Ų137.370%0.70374%0.744SS**  trans-68.5126.7167.1-61.9169000107.1V464I462-V464 PolarHBondContact O-N 3.24Å
463P30.6Very low36.2Very low120 Ų120136.1 Ų136.178%0.77974%0.737SS**  trans-65.6100.6169.4-18.832.6000109.4N461N461-P463 WeakPolarHBondContact O-CD 3.31Å
464V34.6Very low37.5Very low121 Ų121133 Ų13373%0.73371%0.714SS**PPolyproline II helixtrans-59.6129.2172.4178.20000108I462I462-V464 PolarHBondContact O-N 3.24Å
465P36.7Very low38.2Very low72 Ų72126.9 Ų126.947%0.46869%0.686SS.*PPolyproline II helixtrans-62.3127.9176.626.2-33.8000109.4D467P465-D467 PolarHBondContact O-N 3.3Å
466P40.1Very low39.3Very low115 Ų115129.8 Ų129.875%0.74768%0.681SS**PPolyproline II helixtrans-72.2123.9177.628.2-33.1000110.1
467D31.7Very low40.5Very low161 Ų161120.9 Ų120.986%0.86166%0.657SS**PPolyproline II helixtrans-55.6149.1179.9-82.9-47.1000113.7P465P465-D467 PolarHBondContact O-N 3.3Å
468D49.1Very low41.7Very low110 Ų110120 Ų12059%0.58865%0.646SS**SBendtrans-54.7137.5173.7-71.8-63000111.6
469K39.5Very low42.5Very low187 Ų187118.3 Ų118.381%0.81363%0.627SS**SBend-148.910.470.8-74.3117.4-164.3155.10115.5
470G47Very low43.4Very low50 Ų50111.4 Ų111.452%0.51559%0.593SS.*SBendtrans-102.9-27.7-167.800000117.3S474G470-S474 PolarHBondContact O-N 3.04Å; G470-S474 PolarHBondContact O-OG 2.8Å
471S52.8Low44.1Very low68 Ų68108.8 Ų108.848%0.47658%0.579SS.*Hα-helixtrans-68.7-54.4-173.153.60000112K473 S474 W475S471-K473 VanDerWaalsContact C-N 3.35Å; S471-K473 PolarHBondContact O-N 3.42Å; S471-S474 PolarHBondContact O-N 2.94Å; S471-S474 VanDerWaalsContact O-N 3.09Å; S471-S474 PolarHBondContact O-OG 3.46Å; S471-W475 WeakPolarHBondContact O-CB 3.17Å; S471-W475 PolarHBondContact O-N 3.08Å
472L45.9Very low45.1Very low105 Ų105110.3 Ų110.355%0.5557%0.573SS.*Hα-helixtrans-62.7-37.3-171.9-167.166.2000113.2W475 W476L472-W475 HydrophobicContact CD1-CE3 3.87Å; L472-W475 HydrophobicContact CD1-CZ3 4.25Å; L472-W476 WeakPolarHBondContact O-CB 3.23Å; L472-W476 PolarHBondContact O-N 3.24Å
473K52.1Low45.9Very low170 Ų170110.2 Ų110.274%0.73957%0.567SS**Hα-helixtrans-68.5-37.3175.1-73.4-178.4176.8177.10112.7S471 S477S471-K473 VanDerWaalsContact C-N 3.35Å; S471-K473 PolarHBondContact O-N 3.42Å; K473-S477 VanDerWaalsContact O-CB 3.31Å; K473-S477 WeakPolarHBondContact O-CB 3.43Å; K473-S477 PolarHBondContact O-N 3.48Å
474S51.1Low47.2Very low47 Ų47113.5 Ų113.533%0.32956%0.564SS.*Hα-helixtrans-77.2-30.2176.958.50000112.4G470 S471 R478G470-S474 PolarHBondContact O-N 3.04Å; G470-S474 PolarHBondContact O-OG 2.8Å; S471-S474 PolarHBondContact O-N 2.94Å; S471-S474 VanDerWaalsContact O-N 3.09Å; S471-S474 PolarHBondContact O-OG 3.46Å; S474-R478 WeakPolarHBondContact O-CB 3.29Å; S474-R478 VanDerWaalsContact O-CG 3.27Å; S474-R478 WeakPolarHBondContact O-CG 3.48Å; S474-R478 PolarHBondContact O-N 3.5Å
475W52.6Low47.5Very low84 Ų84118 Ų11832%0.31857%0.568SS.*Hα-helixtrans-63.5-54.6166.7176.686.5000111.4S471 L472 S477 R478 M479S471-W475 WeakPolarHBondContact O-CB 3.17Å; S471-W475 PolarHBondContact O-N 3.08Å; L472-W475 HydrophobicContact CD1-CE3 3.87Å; L472-W475 HydrophobicContact CD1-CZ3 4.25Å; W475-S477 VanDerWaalsContact C-N 3.26Å; W475-S477 PolarHBondContact O-N 3.25Å; W475-R478 PolarHBondContact O-N 3Å; W475-M479 HydrophobicContact CD2-CG 4.14Å; W475-M479 HydrophobicContact CG-CG 4.5Å; W475-M479 HydrophobicContact CH2-CE 4.4Å; W475-M479 HydrophobicContact CZ2-CE 3.93Å; W475-M479 HydrophobicContact CZ2-CG 4.05Å; W475-M479 WeakPolarHBondContact O-CB 3.41Å; W475-M479 PolarHBondContact O-N 2.96Å
476W47.3Very low47.9Very low165 Ų165119.9 Ų119.963%0.62557%0.574SS**Hα-helixtrans-57.2-38.7176-107.7104.3000112.1L472 S480L472-W476 WeakPolarHBondContact O-CB 3.23Å; L472-W476 PolarHBondContact O-N 3.24Å; W476-S480 WeakPolarHBondContact O-CA 3.38Å; W476-S480 WeakPolarHBondContact O-CB 3.48Å; W476-S480 PolarHBondContact O-N 3.34Å
477S58Low48.1Very low63 Ų63123 Ų12344%0.44158%0.575SS.*Hα-helixtrans-64.1-45.3173.8-177.30000112.3K473 W475 N481K473-S477 VanDerWaalsContact O-CB 3.31Å; K473-S477 WeakPolarHBondContact O-CB 3.43Å; K473-S477 PolarHBondContact O-N 3.48Å; W475-S477 VanDerWaalsContact C-N 3.26Å; W475-S477 PolarHBondContact O-N 3.25Å; S477-N481 VanDerWaalsContact O-CB 3.24Å; S477-N481 WeakPolarHBondContact O-CB 3.34Å; S477-N481 VanDerWaalsContact O-CG 3.27Å; S477-N481 PolarHBondContact O-N 3.12Å; S477-N481 PolarHBondContact O-ND2 3.49Å; S477-N481 PolarHBondContact OG-ND2 2.87Å
478R55.9Low48.5Very low165 Ų165123.2 Ų123.262%0.62358%0.576SS**Hα-helixtrans-67.8-44178-75.2168.6173.7163-4.2112.6S474 W475 N481 R482S474-R478 WeakPolarHBondContact O-CB 3.29Å; S474-R478 VanDerWaalsContact O-CG 3.27Å; S474-R478 WeakPolarHBondContact O-CG 3.48Å; S474-R478 PolarHBondContact O-N 3.5Å; W475-R478 PolarHBondContact O-N 3Å; R478-N481 PolarHBondContact O-N 3.15Å; R478-R482 PolarHBondContact O-N 3.36Å
479M42.4Very low48.1Very low72 Ų72123 Ų12336%0.35558%0.579SS.*Hα-helixtrans-60.4-52.4172.8-82.6-76.5-86.500111W475 N481 R482 F483W475-M479 HydrophobicContact CD2-CG 4.14Å; W475-M479 HydrophobicContact CG-CG 4.5Å; W475-M479 HydrophobicContact CH2-CE 4.4Å; W475-M479 HydrophobicContact CZ2-CE 3.93Å; W475-M479 HydrophobicContact CZ2-CG 4.05Å; W475-M479 WeakPolarHBondContact O-CB 3.41Å; W475-M479 PolarHBondContact O-N 2.96Å; M479-N481 VanDerWaalsContact C-N 3.27Å; M479-N481 PolarHBondContact O-N 2.86Å; M479-R482 CarbonylContact O-C 3.47Å; M479-R482 WeakPolarHBondContact O-CA 3.44Å; M479-R482 WeakPolarHBondContact O-CB 3.46Å; M479-R482 PolarHBondContact O-N 3.35Å; M479-F483 HydrophobicContact CE-CE2 3.96Å; M479-F483 WeakPolarHBondContact O-CD2 3.46Å; M479-F483 PolarHBondContact O-N 2.85Å; M479-F483 HydrophobicContact SD-CE2 4.41Å
480S49.5Very low48Very low28 Ų28122.7 Ų122.720%0.19658%0.58CS.*Hα-helixtrans-62.1-32.1178.8-173.30000112.8W476 R484W476-S480 WeakPolarHBondContact O-CA 3.38Å; W476-S480 WeakPolarHBondContact O-CB 3.48Å; W476-S480 PolarHBondContact O-N 3.34Å; S480-R484 VanDerWaalsContact O-CB 3.26Å; S480-R484 WeakPolarHBondContact O-CB 3.43Å; S480-R484 WeakPolarHBondContact O-CG 3.44Å; S480-R484 PolarHBondContact O-N 2.95Å; S480-R484 PolarHBondContact O-NE 2.97Å; S480-R484 PolarHBondContact OG-NE 3.39Å; S480-R484 PolarHBondContact OG-NH2 3.28Å
481N48Very low47.3Very low81 Ų81126 Ų12643%0.43359%0.59SS.*Hα-helixtrans-77.1-26.9172.8-76.9-48.1000113.4S477 R478 M479 R485S477-N481 VanDerWaalsContact O-CB 3.24Å; S477-N481 WeakPolarHBondContact O-CB 3.34Å; S477-N481 VanDerWaalsContact O-CG 3.27Å; S477-N481 PolarHBondContact O-N 3.12Å; S477-N481 PolarHBondContact O-ND2 3.49Å; S477-N481 PolarHBondContact OG-ND2 2.87Å; R478-N481 PolarHBondContact O-N 3.15Å; M479-N481 VanDerWaalsContact C-N 3.27Å; M479-N481 PolarHBondContact O-N 2.86Å; N481-R485 WeakPolarHBondContact O-CB 3.5Å; N481-R485 WeakPolarHBondContact O-CD 3.49Å; N481-R485 VanDerWaalsContact O-CG 3.26Å; N481-R485 WeakPolarHBondContact O-CG 3.42Å; N481-R485 PolarHBondContact O-N 3.22Å
482R51.1Low46.2Very low196 Ų196130 Ų13074%0.7461%0.605SS**Hα-helixtrans-70.5-48.1166.8-94.8-173.5159.5-163.1-4.9111.1R478 M479 R484 R485 L486R478-R482 PolarHBondContact O-N 3.36Å; M479-R482 CarbonylContact O-C 3.47Å; M479-R482 WeakPolarHBondContact O-CA 3.44Å; M479-R482 WeakPolarHBondContact O-CB 3.46Å; M479-R482 PolarHBondContact O-N 3.35Å; R482-R484 PolarHBondContact O-N 3.4Å; R482-R485 CarbonylContact O-C 3.49Å; R482-R485 WeakPolarHBondContact O-CA 3.43Å; R482-R485 PolarHBondContact O-N 2.94Å; R482-L486 PolarHBondContact O-N 3.5Å
483F47.4Very low45.6Very low134 Ų134135.2 Ų135.259%0.58862%0.618SS**Hα-helixtrans-61.2-43.4176.1-89.9-86.9000112.5M479 R485 L486M479-F483 HydrophobicContact CE-CE2 3.96Å; M479-F483 WeakPolarHBondContact O-CD2 3.46Å; M479-F483 PolarHBondContact O-N 2.85Å; M479-F483 HydrophobicContact SD-CE2 4.41Å; F483-R485 PolarHBondContact O-N 3.45Å; F483-L486 HydrophobicContact CD1-CD1 4.32Å; F483-L486 PolarHBondContact O-N 2.9Å; F483-L486 VanDerWaalsContact O-N 3.15Å
484R58.5Low44.7Very low190 Ų190135.4 Ų135.472%0.71762%0.621SS**THydrogen-bonded Turntrans-67.9-10.7172-77.4-176.2-93.2-168.9-9.1114.5S480 R482S480-R484 VanDerWaalsContact O-CB 3.26Å; S480-R484 WeakPolarHBondContact O-CB 3.43Å; S480-R484 WeakPolarHBondContact O-CG 3.44Å; S480-R484 PolarHBondContact O-N 2.95Å; S480-R484 PolarHBondContact O-NE 2.97Å; S480-R484 PolarHBondContact OG-NE 3.39Å; S480-R484 PolarHBondContact OG-NH2 3.28Å; R482-R484 PolarHBondContact O-N 3.4Å
485R40.7Very low43.7Very low215 Ų215135.6 Ų135.681%0.81163%0.63SS**THydrogen-bonded Turntrans-101-12.4172-79.2177.9148.7-146.6-6.8113.7N481 R482 F483 K487N481-R485 WeakPolarHBondContact O-CB 3.5Å; N481-R485 WeakPolarHBondContact O-CD 3.49Å; N481-R485 VanDerWaalsContact O-CG 3.26Å; N481-R485 WeakPolarHBondContact O-CG 3.42Å; N481-R485 PolarHBondContact O-N 3.22Å; R482-R485 CarbonylContact O-C 3.49Å; R482-R485 WeakPolarHBondContact O-CA 3.43Å; R482-R485 PolarHBondContact O-N 2.94Å; F483-R485 PolarHBondContact O-N 3.45Å; R485-K487 VanDerWaalsContact C-N 3.35Å; R485-K487 PolarHBondContact O-N 2.97Å
486L45.4Very low42.8Very low112 Ų112137.5 Ų137.559%0.58665%0.646SS**SBendtrans-72.291167.2-77.3169000108.6R482 F483 L488R482-L486 PolarHBondContact O-N 3.5Å; F483-L486 HydrophobicContact CD1-CD1 4.32Å; F483-L486 PolarHBondContact O-N 2.9Å; F483-L486 VanDerWaalsContact O-N 3.15Å; L486-L488 VanDerWaalsContact C-N 3.33Å; L486-L488 PolarHBondContact O-N 3.16Å
487K43.9Very low42Very low179 Ų179132.8 Ų132.878%0.77864%0.638SS**  trans-66.988.5174.7-74.4-170.4175.7-174.70110.7R485 T489R485-K487 VanDerWaalsContact C-N 3.35Å; R485-K487 PolarHBondContact O-N 2.97Å; K487-T489 PolarHBondContact O-N 2.77Å
488L40.5Very low40.8Very low167 Ų167133.7 Ų133.787%0.87464%0.641SS**  trans-70.361.3163.9-78.1166000110.5L486L486-L488 VanDerWaalsContact C-N 3.33Å; L486-L488 PolarHBondContact O-N 3.16Å
489T39.7Very low39.6Very low106 Ų106133 Ų13365%0.6565%0.65SS**  trans-139.744.4-178.465.70000111.2K487K487-T489 PolarHBondContact O-N 2.77Å
490H38.6Very low38.9Very low180 Ų180140.8 Ų140.883%0.83368%0.675SS**SBendtrans-148.321.8172.8-139-73.6000117
491T31.3Very low38Very low120 Ų120146.9 Ų146.974%0.73671%0.705SS**SBendtrans-135.993.9169.848.20000111.4
492L31.4Very low37.1Very low151 Ų151147.3 Ų147.379%0.79172%0.72SS**  trans67.7137.9163.7-46.6-178.1000115.8
493R32.4Very low36.8Very low215 Ų215143 Ų14381%0.81172%0.717SS**  cis-155.8149.7-8.9-108.6170.7-166.5-173.76.2106.8
494H32.2Very low35.7Very low173 Ų173146 Ų14680%0.80173%0.73SS**  trans-141.6115.5154.3-113.4-71.3000111.8
495G31.2Very low35.1Very low51 Ų51141.5 Ų141.553%0.52673%0.725SS.*  trans-74.5150149.300000109
496L34.3Very low34.5Very low125 Ų125137.7 Ų137.765%0.65472%0.721SS**  trans-74.6169.4-176-71.1165.6000113F599L496-F599 VanDerWaalsContact C-CD1 3.46Å; L496-F599 HydrophobicContact CB-CD1 3.96Å; L496-F599 HydrophobicContact CB-CE1 3.62Å; L496-F599 WeakPolarHBondContact O-CD1 3.41Å; L496-F599 WeakPolarHBondContact O-CG 3.5Å
497S29.6Very low33.6Very low66 Ų66141.2 Ų141.246%0.46274%0.735SS.*  trans-150.2135.8143.4-151.70000109.6F599 L600S497-F599 WeakPolarHBondContact OG-CD2 3.32Å; S497-L600 WeakPolarHBondContact OG-CD1 3.28Å
498T33.2Very low32.9Very low81 Ų81136.1 Ų136.150%0.49773%0.726SS.*  trans-115.5146.3176.758.90000110.3F599T498-F599 HydrophobicContact CG2-CZ 4.17Å; T498-F599 VanDerWaalsContact N-CE2 3.28Å; T498-F599 WeakPolarHBondContact OG1-CZ 3.25Å
499N29.9Very low32.3Very low152 Ų152136.8 Ų136.881%0.81373%0.725SS**  175.7119.4119.6-87.1-12.5000112.5
500R28.7Very low31.8Very low234 Ų234137.7 Ų137.788%0.88373%0.73SS**  trans-152.1105.6139.3-141176.9-166.4-126.51.8111.1
501L29.1Very low31.7Very low156 Ų156134.4 Ų134.482%0.81773%0.725SS**  trans34112.9148.5-57.4170.3000118.9
502A30.3Very low31.8Very low90 Ų90135.6 Ų135.674%0.74473%0.726SS**  trans-74.1170.4144.900000109.2
503P43.8Very low31.6Very low105 Ų105135.3 Ų135.368%0.68273%0.725SS**  -153.2149.56137.5-15.7000119.7
504F25.5Very low31.5Very low198 Ų198129 Ų12987%0.86872%0.719SS**  trans59.2173.6144.6-62.3-47.7000120.2
505P45.9Very low31.2Very low95 Ų95127.1 Ų127.162%0.61772%0.72SS**  -136.3-162.9-59.343.5-28.1000113.5
506D26.5Very low31.1Very low135 Ų135131.6 Ų131.672%0.72273%0.729SS**  trans58.3107.2156.6-54-16.2000119
507E26.5Very low30.8Very low186 Ų186136.2 Ų136.287%0.86974%0.738SS**  110.1157.587.9-86.4-154.4168.600109.5
508A29.8Very low30.7Very low72 Ų72136.7 Ų136.760%0.59575%0.745SS**  cis-147.4178.916.100000113.6
509E28.5Very low30.5Very low182 Ų182140.7 Ų140.785%0.8576%0.764SS**  trans71.7145.8157.1-64-69.2100.400120.3
510T29.9Very low30.3Very low124 Ų124138.6 Ų138.676%0.76177%0.767SS**  trans-114.6172.4-176.662.20000111.5
511P35.4Very low30.3Very low111 Ų111137.6 Ų137.672%0.72177%0.77SS**  -144.1159.397.938.1-24000116.1
512L33.6Very low30.2Very low146 Ų146134.7 Ų134.776%0.76477%0.768SS**  trans20.3139.2135.4-49.2174.5000118.4
513D26.5Very low30Very low145 Ų145135.1 Ų135.178%0.77577%0.772SS**  cis-160.6162.911.1-117.9-26.1000108.2
514A31.1Very low29.2Very low83 Ų83134.9 Ų134.969%0.68678%0.778SS**  cis-144.3167.5-3.900000108.9
515T26.8Very low29.4Very low132 Ų132132 Ų13281%0.8178%0.777SS**  trans-133.5167.8-170-42.10000112.3
516M28.7Very low29.5Very low145 Ų145132.1 Ų132.171%0.71478%0.778SS**  trans81.8154164.8-58.3-160.4-63.600116.8
517R27.3Very low29.5Very low222 Ų222133.2 Ų133.284%0.83878%0.784SS**  cis-147.7168.8-3.3-133169.5-161.7-176.97.3112.1
518A28.7Very low29.4Very low76 Ų76127.1 Ų127.163%0.62877%0.771SS**  trans-89.7163170.600000113
519D27.1Very low29.2Very low166 Ų166131 Ų13189%0.88879%0.787SS**  trans47.6115.4156-65.9-50.9000121
520A27.6Very low29Very low107 Ų107126.6 Ų126.688%0.88478%0.782SS**  trans-140.2141.3149.600000110.1
521K28.1Very low28.8Very low213 Ų213124.9 Ų124.993%0.92678%0.78SS**  trans-108.9109.1-171.6170.9-166.7172.2-176.70111.3
522A26.5Very low28.4Very low96 Ų96124.3 Ų124.379%0.79379%0.785SS**  trans-161141.1162.500000114.4
523A26.4Very low28.2Very low98 Ų98122.2 Ų122.281%0.8179%0.789SS**  trans29.1146.7142.200000124.5
524A26.7Very low28.3Very low100 Ų100120 Ų12083%0.82679%0.791SS**  trans77.8119.5142.500000121.4
525V29.1Very low28.2Very low137 Ų137120.6 Ų120.683%0.8380%0.796SS**  trans-64.8160.5147.4-129.80000108.5
526P49.9Very low28.2Very low98 Ų98118.8 Ų118.864%0.63679%0.794SS**  cis-148.6-171.227.144.8-24.1000118.5
527N25.2Very low28.3Very low159 Ų159116.2 Ų116.285%0.8580%0.796SS**  trans70.3149.9163.7-56.9-19.6000117.3
528G25Very low28.5Very low58 Ų58112.3 Ų112.360%0.59880%0.796SS**  cis142.7135.7-800000113
529T24.6Very low28.7Very low152 Ų152112.7 Ų112.793%0.93380%0.799SS**  trans65.7164.4-173.680.50000113.1
530A25.7Very low28.7Very low90 Ų90111.3 Ų111.374%0.74480%0.797SS**  cis-161.1175.31.500000107.3
531A25.8Very low28.7Very low88 Ų88110.8 Ų110.873%0.72779%0.792SS**  cis-172.9174.8-17.100000109.2
532A26.9Very low28.7Very low100 Ų100105 Ų10583%0.82679%0.785SS**  trans67.4164.1150.400000119.6
533A28.5Very low29.9Very low101 Ų101106.4 Ų106.484%0.83579%0.786SS**  cis-174.3170-34.200000106.5
534A28.8Very low30.1Very low99 Ų99105.6 Ų105.682%0.81879%0.786SS**  cis-146.3-166.4-2.400000106.5
535A28.2Very low30.2Very low96 Ų96105.5 Ų105.579%0.79379%0.786SS**  cis-157176.5-3.300000106.4
536A28.4Very low30.3Very low94 Ų94103.5 Ų103.578%0.77778%0.778SS**  cis-137.5-127.6-4.700000106.2
537A30.1Very low29.2Very low90 Ų90105.9 Ų105.974%0.74479%0.786SS**  cis-167.6171.9-2000000106.9
538V30.8Very low29.4Very low140 Ų140104.7 Ų104.785%0.84878%0.784SS**  cis-171.9128.9-37148.80000102.8
539A32.8Very low29.6Very low84 Ų84107 Ų10769%0.69479%0.79SS**  cis-142-146.7-21.400000105.6
540T28.4Very low29.7Very low138 Ų138104 Ų10485%0.84778%0.781SS**  cis-165.51696.8-11.40000105
541A27Very low29.7Very low95 Ų95107 Ų10779%0.78579%0.79SS**  cis-145.4-125.85.200000111
542A29.1Very low29.6Very low92 Ų92114.8 Ų114.876%0.7680%0.801SS**  trans-163.3-169.9-168.900000109.9
543P51.8Low29.5Very low126 Ų126113.9 Ų113.982%0.81879%0.794SS**  cis-144.3163.8140.9-21.5000119.9
544G29.2Very low29.4Very low80 Ų80115.4 Ų115.483%0.82579%0.792SS**  trans82.6161.5143.600000119.5
545A29.9Very low29.2Very low99 Ų99119.2 Ų119.282%0.81879%0.79SS**  cis-178.1156.5-19.800000106.4
546S31.5Very low29Very low95 Ų95120.7 Ų120.766%0.66479%0.79SS**  cis-178.3-176.3-12.353.60000106.8
547D26.7Very low29Very low148 Ų148124.8 Ų124.879%0.79179%0.79SS**  trans73.7147.2161.1-62.19000119.3
548V29.4Very low28.8Very low134 Ų134126.1 Ų126.181%0.81279%0.785SS**  cis-150.2172.6-4.8110.70000113.4
549S27.4Very low28.6Very low105 Ų105124.1 Ų124.173%0.73478%0.783SS**  trans-85.4149.6-161-47.40000120.3
550A28.2Very low28.4Very low90 Ų90125.3 Ų125.374%0.74479%0.793SS**  trans47.6139.5130.900000124.2
551T25.4Very low28.2Very low152 Ų152122.4 Ų122.493%0.93379%0.79SS**  -168.6-177.5125.815.40000112.6
552W23.4Very low28.1Very low252 Ų252126.8 Ų126.896%0.95579%0.794SS**  trans-110.7163.6-158.2-120.9-58.1000115
553A25.4Very low27.9Very low81 Ų81127.9 Ų127.967%0.66980%0.795SS**  trans103.6113.513900000123.2
554V26.1Very low26.7Very low133 Ų133132.7 Ų132.781%0.80680%0.797SS**  89.6138.6125.3170.40000122.2
555K23.8Very low26.5Very low179 Ų179135.6 Ų135.678%0.77880%0.798SS**  trans88.9104.3157.5-95.9174.9178.4177.30122.4
556T25.2Very low26.4Very low128 Ų128136.1 Ų136.179%0.78580%0.796SS**  42.1126.7127.559.30000122.3
557K27.3Very low26.5Very low180 Ų180137 Ų13778%0.78380%0.802SS**  147.3135.1112.2-171.3170.2177.1-179.30115.6
558D25.5Very low26.6Very low118 Ų118137.2 Ų137.263%0.63180%0.798SS**  trans44131.1156.4-55.9-3.3000125.7
559A27.9Very low26.6Very low97 Ų97138.1 Ų138.180%0.80279%0.791SS**  trans72.9100.7131.600000124
560A27.1Very low26.7Very low110 Ų110139.9 Ų139.991%0.90979%0.793SS**  58.1122.2126.800000122.6
561G25.5Very low26.7Very low76 Ų76143 Ų14378%0.78480%0.797SS**  trans-120.5-179.6162.800000112.8
562H25.5Very low26.8Very low188 Ų188140.5 Ų140.587%0.8779%0.785SS**  trans-99.4149.2-174.3-84.765.6000114.6
563C23.8Very low27.2Very low115 Ų115136.3 Ų136.378%0.77778%0.781SS**  trans76.3144.4148.8-70.20000122.9
564R25.9Very low27.4Very low227 Ų227140.1 Ų140.186%0.85779%0.788SS**  trans93.6125.4149.3-79.3-179.7178-164.3-1.1122.3
565T26.1Very low27.7Very low141 Ų141138.4 Ų138.487%0.86578%0.778SS**  trans67.8172.7143.650.30000119.4
566S27.7Very low27.9Very low110 Ų110136 Ų13677%0.76978%0.779SS**  trans-102.4135.6-154.151.60000115.2
567S33.8Very low28.1Very low112 Ų112138 Ų13878%0.78378%0.781SS**  trans59.7105.5145178.90000119.3
568E28.1Very low28.2Very low154 Ų154137.2 Ų137.272%0.7278%0.784SS**  -166.6143.6119-102.3-161.7130.900113
569K30.3Very low28.3Very low153 Ų153141.7 Ų141.767%0.66579%0.793SS**  trans50135.6151.3-63.4-164.3-17784.70124.6
570D29.8Very low28.4Very low142 Ų142142.5 Ų142.576%0.75979%0.792SS**  trans65.1108.5137.8-50.3-14.2000124
571D27Very low28.4Very low155 Ų155141.2 Ų141.283%0.82979%0.79SS**  trans45.7117.1136.6-84.3-13.2000125.5
572S27.9Very low28.9Very low99 Ų99142.2 Ų142.269%0.69279%0.791SS**  102.4118.6120.878.30000122.4
573L31.7Very low29.8Very low164 Ų164138.8 Ų138.886%0.85979%0.785SS**  trans69.4146.1156.3-55.6172.1000116.4
574I28.8Very low30Very low162 Ų162141.2 Ų141.283%0.83179%0.79SS**  cis-136.3158.642.1-79.9173.9000113.9
575T32.4Very low30.2Very low97 Ų97136.6 Ų136.660%0.59579%0.787SS**  trans-75.3148179169.10000115.3
576T29.5Very low30.5Very low129 Ų129141.7 Ų141.779%0.79179%0.79SS**  trans-97.9131147.646.20000110
577M28.2Very low30.8Very low170 Ų170144.1 Ų144.184%0.83779%0.793SS**  trans-106.6134173.9-87.4-151.7-116.100111.7
578L29.3Very low31.2Very low162 Ų162144.6 Ų144.685%0.84879%0.794SS**  trans-179.1138.8145.8-95.9163.2000105.4
579R28.7Very low31.8Very low213 Ų213144.9 Ų144.980%0.80480%0.8SS**  cis-158.7143.215.1-162.6176.9-168.1156.51.3110.6
580S29.1Very low31.9Very low113 Ų113143.9 Ų143.979%0.7980%0.802SS**  trans41.8123.2153.360.20000121.7
581G28.3Very low32.1Very low83 Ų83144.8 Ų144.886%0.85680%0.8SS**  trans158.850.8158.500000119.6
582A35.1Very low32.5Very low98 Ų98145.9 Ų145.981%0.8181%0.805SS**  trans-82.4164.3165.800000110.3
583P43.4Very low32.7Very low115 Ų115151.2 Ų151.275%0.74782%0.815SS**  cis-117.1173.822.442.7-28.3000113.4
584L28.3Very low32.7Very low167 Ų167147.8 Ų147.887%0.87481%0.811SS**  -144.7159.352.5-75.7163.6000113.6
585T31.4Very low32.6Very low130 Ų130147.1 Ų147.180%0.79881%0.814SS**  trans-124.2134.2-176.251.60000112.6
586R31.4Very low32.6Very low247 Ų247150 Ų15093%0.93282%0.824SS**  trans179.4123.5131.2-100.1172.5-171.2-151.12.2113.1
587L34.9Very low34Very low161 Ų161148.9 Ų148.984%0.84382%0.819SS**  trans-93.5-173.9151.8-62.3166000107.6
588P42.4Very low34.8Very low123 Ų123145.6 Ų145.680%0.79981%0.81SS**  cis-127.4-168-13.221.24.5000113
589N39.7Very low35Very low159 Ų159142.3 Ų142.385%0.8579%0.789SS**  trans-46.4149.7172.5-61.3-14.8000115.8
590D31.7Very low35.4Very low132 Ų132137.7 Ų137.771%0.70678%0.78SS**  trans-150.4170.7134-145.1-3.5000114.5
591K34.8Very low36.2Very low161 Ų161136.7 Ų136.770%0.777%0.771SS**  trans-82.8156-168.5-6.183.8-173.7139.30115.8
592L34.7Very low36.9Very low179 Ų179138.1 Ų138.194%0.93777%0.765SS**  trans-139.7153.7146.8-79.2-176.1000112.1
593K32.5Very low36.7Very low211 Ų211138.1 Ų138.192%0.91776%0.759SS**  trans-128.8143.4172.8-87.9-174.9173.8-178.90109.7
594A31.2Very low36Very low92 Ų92139.9 Ų139.976%0.7676%0.762SS**  trans-153.6114153.800000108.3
595V28.4Very low36.2Very low147 Ų147139.9 Ų139.989%0.89176%0.755SS**  97.5157.992.2166.20000111.6
596I32.2Very low36.4Very low157 Ų157141.4 Ų141.481%0.80575%0.753SS**  trans-110.1149.4-152.4-77.4171000112.4
597P58Low37.1Very low106 Ų106134.4 Ų134.469%0.68874%0.74SS**  trans-90.8178.5-177.238.3-40.2000114.2
598P44.8Very low36.6Very low101 Ų101138.7 Ų138.766%0.65675%0.745SS**  trans-134.8124.1150.422.3-0.6000116.7
599F34.1Very low36Very low94 Ų94139.7 Ų139.741%0.41274%0.744SS.*  90.3122.3122-53-14.1000123.9L496 S497 T498L496-F599 VanDerWaalsContact C-CD1 3.46Å; L496-F599 HydrophobicContact CB-CD1 3.96Å; L496-F599 HydrophobicContact CB-CE1 3.62Å; L496-F599 WeakPolarHBondContact O-CD1 3.41Å; L496-F599 WeakPolarHBondContact O-CG 3.5Å; S497-F599 WeakPolarHBondContact OG-CD2 3.32Å; T498-F599 HydrophobicContact CG2-CZ 4.17Å; T498-F599 VanDerWaalsContact N-CE2 3.28Å; T498-F599 WeakPolarHBondContact OG1-CZ 3.25Å
600L36.9Very low35.6Very low116 Ų116137.6 Ų137.661%0.60774%0.741SS**  trans89.1146.6146.3-67.9178.8000125.1S497S497-L600 WeakPolarHBondContact OG-CD1 3.28Å
601P45.7Very low35.4Very low92 Ų92138.3 Ų138.360%0.59775%0.745SS**  trans-118.1-151.1-17748.1-31.5000110.5
602P44.4Very low35.2Very low113 Ų113141.4 Ų141.473%0.73475%0.752SS**  cis-139.3175.9-2.939.8-19.3000118.8
603S30.4Very low35Very low97 Ų97137.5 Ų137.568%0.67874%0.74SS**  trans44.1120.9141.6-162.40000120.7
604N28.8Very low34.9Very low153 Ų153138.1 Ų138.182%0.81874%0.737SS**  -162.6150.599.1-118.634.7000116.7
605F31.6Very low34.7Very low167 Ų167143 Ų14373%0.73274%0.741SS**  trans-68.9159.9153.8-90.7-127.3000109.4
606E36.5Very low34.5Very low161 Ų161144.3 Ų144.375%0.75274%0.742SS**  cis-155.2-159-2.2-129.6-166.8147.500109.6
607P44.9Very low34.3Very low100 Ų100144 Ų14465%0.64974%0.738SS**  trans-90.2176.7-163.941.6-39.3000113.8
608W24.1Very low32.8Very low252 Ų252145.9 Ų145.996%0.95574%0.741SS**  trans-140147.6151.6-127.639.7000111.5
609N30Very low31.8Very low144 Ų144144.8 Ų144.877%0.7775%0.749SS**  trans-74161.8175.1-63.5-28.7000110.7
610S31.2Very low31.3Very low114 Ų114149.8 Ų149.880%0.79777%0.77SS**  -169.2139.8128.6-82.90000110.9
611D29Very low30.7Very low148 Ų148149 Ų14979%0.79177%0.774SS**  trans-62.1156.7174.4-59.5-96000113.2
612R30.7Very low29.7Very low225 Ų225153.7 Ų153.785%0.84979%0.789SS**  -150.4117120.2-116164.6-159.6-139.5-1.6113.7
613S29.6Very low29Very low97 Ų97152.6 Ų152.668%0.67879%0.789SS**  trans-63.4152.7157.656.50000111
614R29.4Very low28.9Very low224 Ų224152.4 Ų152.485%0.84579%0.793SS**  trans-163124.6140.6-110.2162.3-163.4-152.2-0.9111.6
615F27.3Very low28.7Very low194 Ų194156.1 Ų156.185%0.85180%0.796SS**  trans-65.3153.1159.9-75-108.8000109.9
616L25Very low28.6Very low176 Ų176156 Ų15692%0.92180%0.802SS**  trans-155.5147.2133.7-114.8166000110.3
617Q28Very low28.6Very low151 Ų151154 Ų15471%0.70680%0.803SS**  trans-134.2138.4-173.1167.9-178.2-5.300108.9
618D25.5Very low27.9Very low144 Ų144157.6 Ų157.677%0.7781%0.813SS**  trans56.4154.1166.2-70.2-49.4000119.2
619G24.1Very low29.4Very low78 Ų78150.2 Ų150.280%0.80480%0.798SS**  trans130.597156.500000118
620K23.9Very low30.6Very low199 Ų199148.1 Ų148.187%0.86579%0.792SS**  trans-41.7148.9163-56.4157.2179.4170.70112.8
621S25.3Very low30.7Very low100 Ų100150.1 Ų150.170%0.69979%0.789SS**  178.7150.777.7-70.90000113.6
622E24.9Very low30.6Very low191 Ų191153.4 Ų153.489%0.89379%0.79SS**  trans46.1153.4145.3-63.7-163124.700123.7
623A29.6Very low30.7Very low90 Ų90151.5 Ų151.574%0.74479%0.788SS**  cis-173.9145.8-26.400000110.5
624A26.7Very low30.5Very low93 Ų93154.9 Ų154.977%0.76980%0.798SS**  trans-161.1122.6158.700000114.6
625R25.3Very low30.4Very low231 Ų231151.6 Ų151.687%0.87280%0.797SS**  trans64.795.7153.9-59.9-177.7-179.7-171.5-0.3120.8
626L28.9Very low30.4Very low165 Ų165147.9 Ų147.986%0.86480%0.795SS**  46.9151.7112.5-62.3172.8000122
627P37.9Very low30.6Very low119 Ų119145 Ų14577%0.77379%0.789SS**  cis-128.8-171.5-7.533.8-12000115.2
628M30.6Very low30.5Very low174 Ų174141.2 Ų141.286%0.85779%0.791SS**  trans-159.2-173.9-167.8-103.7-87.4-88.300107.7
629P54.6Low30.6Very low97 Ų97142.1 Ų142.163%0.6380%0.796SS**  cis-129.8-134.7-16.135.6-10.9000109.6
630P54.3Low31Very low101 Ų101143.8 Ų143.866%0.65680%0.795SS**  cis-141.2150.1-19.733-10.9000119.8
631Q34.5Very low31.2Very low155 Ų155141.1 Ų141.172%0.72479%0.791SS**  trans65.9168.6139.4-68.7-165.2-9.100120
632R27.3Very low31.4Very low217 Ų217144.7 Ų144.782%0.81980%0.8SS**  cis-152.7169.418.4-154.1169.7-105.5-171.6-5.7114.5
633K31.3Very low31.7Very low185 Ų185141 Ų14180%0.80479%0.791SS**  trans-108.8159165.5-56.2178.3178.5-176.90110.8
634L26.2Very low31.8Very low169 Ų169141.3 Ų141.389%0.88579%0.787SS**  trans-173.1176.1130-128.871000114.6
635N26.8Very low32.1Very low154 Ų154144.4 Ų144.482%0.82479%0.789SS**  trans-83.7161.4179.9-41.6-15000112.5
636S27.1Very low32.4Very low116 Ų116138 Ų13881%0.81178%0.78SS**  trans-162.9153.5136-166.60000112.2
637S29.2Very low32.8Very low116 Ų116141.3 Ų141.381%0.81178%0.781SS**  trans-77.7166.8157.449.90000111.2
638G25.7Very low32.5Very low72 Ų72141.9 Ų141.974%0.74278%0.782SS**  trans171.5110.5169.600000113.2
639N28.9Very low32.6Very low163 Ų163140.3 Ų140.387%0.87278%0.782SS**  trans-72.2143.3165.9-60-5.6000109.2
640S31.2Very low31.5Very low112 Ų112142.6 Ų142.678%0.78379%0.789SS**  -170.4144.7120.327.60000112.9
641D28.1Very low30.6Very low144 Ų144149.9 Ų149.977%0.7780%0.803SS**  trans-50142171.8-41.8-84.5000113.6
642I31Very low30.4Very low174 Ų174147 Ų14789%0.89280%0.8SS**  trans-129.8134140.8-97.4171.8000108
643T29.9Very low30.7Very low115 Ų115145 Ų14571%0.70680%0.804SS**  trans-90.2150.3-173.145.80000112.4
644S32.7Very low30.6Very low95 Ų95145.4 Ų145.466%0.66481%0.806SS**  trans43.2134.7144.863.50000121.3
645I32.3Very low31.2Very low158 Ų158146.6 Ų146.681%0.8180%0.804SS**  -159.9144.7115.5-103152.6000110.9
646S31.6Very low31.8Very low97 Ų97145.4 Ų145.468%0.67881%0.805SS**  trans-98.1154.1-169-41.40000114.3
647R37.6Very low32Very low234 Ų234144.6 Ų144.688%0.88380%0.799SS**  trans-170105.6145.8-85.7130.2-156.6-150.59107
648V30.6Very low32.4Very low131 Ų131146.1 Ų146.179%0.79480%0.797SS**  64.4103.273.5-179.70000114.1
649V33.6Very low33.6Very low141 Ų141148.1 Ų148.186%0.85580%0.797SS**  trans-150.7140.1131.2174.10000108.4
650N30.9Very low33.7Very low146 Ų146150.4 Ų150.478%0.78180%0.799SS**  trans-90.6153.9176.4-86.3-21.2000113.1
651R36.4Very low33.7Very low253 Ų253148.6 Ų148.696%0.95580%0.798SS**  -158.1158.2121.5-111.8168.9-173.1-179.92.2112.8
652S29.2Very low34.6Very low96 Ų96147.4 Ų147.467%0.67180%0.798SS**  trans-156.9145.2-16258.80000111.8
653I33.6Very low34.3Very low175 Ų175144 Ų14490%0.89779%0.789SS**  trans-132.9152.1160.7-58.5-177000107.8
654K30.2Very low34.2Very low193 Ų193143.7 Ų143.784%0.83979%0.792SS**  trans-124.1159-167-77.5-180173.3178.10113.8
655F38.4Very low33.9Very low194 Ų194144.7 Ų144.785%0.85180%0.799SS**  trans-57168.4161.4-59.1-92.5000113.9
656P39.6Very low33.8Very low129 Ų129142.6 Ų142.684%0.83880%0.799SS**  trans-111.5162.5133.436.6-31.1000112.8
657S30.8Very low34.5Very low99 Ų99143.3 Ų143.369%0.69280%0.801SS**  trans-164.4-175.7-179.158.20000111.4
658I39Very low34.2Very low148 Ų148137.7 Ų137.776%0.75980%0.798SS**  trans80.4151.2173.4-52.7157.1000113.4
659P49.6Very low34.1Very low114 Ų114138.5 Ų138.574%0.7480%0.797SS**  cis-109.1162.6-4.514.110.5000113.6
660K31.4Very low34.2Very low210 Ų210137.1 Ų137.191%0.91379%0.794SS**  68.6114.356-73-172.7174.3-1770116.4
661G30.8Very low34.1Very low74 Ų74133.5 Ų133.576%0.76379%0.791SS**  trans178.4144.2165.400000112.3
662P46.6Very low33.8Very low119 Ų119129.2 Ų129.277%0.77378%0.782SS**  trans-131.3163.4-158.141.9-25.9000119.5
663S25.7Very low33.8Very low102 Ų102134 Ų13471%0.71379%0.787SS**  trans72.4124.3139.159.50000124.5
664S27.3Very low33.6Very low110 Ų110133.8 Ų133.877%0.76978%0.781SS**  101.6151.6129.777.50000122.5
665S27.5Very low34Very low116 Ų116129.7 Ų129.781%0.81178%0.777SS**  trans70.4108.3166.760.20000121.4
666S30.6Very low34.6Very low114 Ų114124.8 Ų124.880%0.79777%0.765SS**  trans-81.4168.3142.8-30.90000109.5
667P45.5Very low34.2Very low112 Ų112127.1 Ų127.173%0.72776%0.764SS**  -158.316271.441.8-21.2000119.6
668S30.5Very low34.6Very low116 Ų116126.6 Ų126.681%0.81176%0.76SS**  trans65163153.1-53.50000118.5
669N29.6Very low34.9Very low147 Ų147125.2 Ų125.279%0.78676%0.764SS**  cis-152.3163.57-160.14.9000113.1
670S34.4Very low34Very low112 Ų112123.4 Ų123.478%0.78377%0.766SS**  trans64.3145.1160.766.40000120.4
671G29.6Very low34Very low70 Ų70117.3 Ų117.372%0.72276%0.762SS**  cis171.3160.2-9.900000115.3
672H30.1Very low34.3Very low163 Ų163119.2 Ų119.276%0.75576%0.764SS**  trans57.5119.5170.9-88.565.8000118.8
673Y29.7Very low33.7Very low198 Ų198121.7 Ų121.778%0.77677%0.771SS**  cis86.3113.349.5-77.3-57.2000115.4
674H29.3Very low33.8Very low169 Ų169120.3 Ų120.378%0.78277%0.773SS**  -175.5151.7105.2-107.4-85.3000113.9
675S37.1Very low34Very low108 Ų108122 Ų12276%0.75578%0.778SS**  trans-112.6-141.8172.7-50.60000108.4
676P51.4Low34.1Very low91 Ų91121.4 Ų121.459%0.59178%0.78SS**  cis-146.2-168.4-10.522.27.9000116.7
677H32.8Very low33.9Very low178 Ų178119.6 Ų119.682%0.82478%0.779SS**  trans77.4163.1151-60-44.5000122.4
678S38.1Very low33.2Very low88 Ų88122.2 Ų122.262%0.61579%0.785SS**  cis178.3149.3-34.3-176.20000112.8
679S46.2Very low33.1Very low118 Ų118123.5 Ų123.583%0.82578%0.783SS**  trans59.1164.2153.340.40000120.5
680G30.8Very low33Very low76 Ų76126.5 Ų126.578%0.78478%0.784SS**  cis162.2142.5-12.300000114.6
681G30.7Very low32.6Very low82 Ų82126.4 Ų126.485%0.84578%0.775SS**  trans75.8168.8168.900000118.4
682S37.1Very low32.4Very low114 Ų114128.2 Ų128.280%0.79778%0.776SS**  cis-173.5140.4-21.653.70000113.3
683N33.8Very low32.6Very low172 Ų172128.7 Ų128.792%0.9278%0.778SS**  trans37.2146.1155.6-65.60.1000124.5
684G28.7Very low32.6Very low73 Ų73126.3 Ų126.375%0.75378%0.779SS**  trans175.952.3165.900000124.2
685V30.9Very low32.7Very low145 Ų145128.9 Ų128.988%0.87978%0.782SS**  trans61.4135.8141.4171.70000124.1
686A28.9Very low32.3Very low103 Ų103129.7 Ų129.785%0.85179%0.787SS**  trans70.2152.5153.700000122.9
687G27.8Very low31.2Very low76 Ų76128.9 Ų128.978%0.78480%0.796SS**  trans145.449.9154.900000121.6
688I29.5Very low31Very low167 Ų167124.2 Ų124.286%0.85680%0.795SS**  trans-24.4120.7167.838.1168.4000120.2
689N28.2Very low30.9Very low143 Ų143126 Ų12677%0.76581%0.808SS**  53.3132.8126.7-108.8-7.7000124.2
690R28Very low30.3Very low210 Ų210124.8 Ų124.879%0.79281%0.805SS**  trans69.3157.2147.2-84.8178.8145.7169.3-0.1118.3
691D25.6Very low30.8Very low111 Ų111128.3 Ų128.359%0.59481%0.806SS**  cis-152.7161.64.6-136.2-45.4000114.5
692S26.8Very low31.8Very low107 Ų107129 Ų12975%0.74880%0.798SS**  trans65155.1144.5-710000124.3
693H32.6Very low32.1Very low174 Ų174128.1 Ų128.181%0.80679%0.788SS**  trans-81.5152.5178.9-52.1-102.7000113.4
694N30.5Very low32.8Very low147 Ų147126.4 Ų126.479%0.78678%0.778SS**  -179.4163.6108-109.8-66.3000117.7
695R30.4Very low33.9Very low224 Ų224127.1 Ų127.185%0.84577%0.771SS**  trans68.1112.5149.1-78.7176.1-178.9-161.4-0.4122.2
696S30.1Very low34.6Very low124 Ų124126.5 Ų126.587%0.86776%0.758SS**  68.4116.8112.5-177.90000121.8
697G28Very low35.7Very low75 Ų75126.5 Ų126.577%0.77374%0.743SS**  trans136.9155.5130.800000117.3
698G29.1Very low36.7Very low79 Ų79126.4 Ų126.481%0.81474%0.735SS**  trans101.382.1153.700000118.3
699S34.8Very low37.6Very low125 Ų125121.5 Ų121.587%0.87472%0.72SS**  trans-60.6137.3163.6155.10000112.9
700A35.2Very low38.4Very low94 Ų94121.5 Ų121.578%0.77772%0.715SS**  trans-152.518167.400000116.8S702A700-S702 PolarHBondContact O-N 3.21Å
701D39.7Very low39.2Very low150 Ų150122.4 Ų122.480%0.80272%0.718SS**  trans-89.795.1-179.3-85.2-57.4000113.2
702S53.2Low40.4Very low95 Ų95126.2 Ų126.266%0.66473%0.729SS**  trans-1434.6179.5-153.80000116.1A700A700-S702 PolarHBondContact O-N 3.21Å
703V42.9Very low41.2Very low97 Ų97132.2 Ų132.259%0.58874%0.736SS**SBendtrans-121.3-44.9-174.7-173.90000113.6Q706V703-Q706 PolarHBondContact O-N 2.74Å
704L47.4Very low41.4Very low136 Ų136128.7 Ų128.771%0.71274%0.737SS**Hα-helixtrans-69.8-37.1-175.6-88.470.2000113.3Q706 I707 A708L704-Q706 PolarHBondContact O-N 2.89Å; L704-I707 PolarHBondContact O-N 3.12Å; L704-A708 PolarHBondContact O-N 3.11Å
705S52.6Low42.1Very low87 Ų87126.3 Ų126.361%0.60874%0.738SS**Hα-helixtrans-60.8-29.9177.3-57.80000113.1A709S705-A709 PolarHBondContact O-N 2.92Å
706Q46.1Very low42.2Very low132 Ų132118.5 Ų118.562%0.61773%0.726SS**Hα-helixtrans-75-33.7-179.9-162.4169.78.400112.1V703 L704 Q710V703-Q706 PolarHBondContact O-N 2.74Å; L704-Q706 PolarHBondContact O-N 2.89Å; Q706-Q710 PolarHBondContact O-N 3.28Å
707I50.6Low42.2Very low103 Ų103120.7 Ų120.753%0.52873%0.728SS.*Hα-helixtrans-73.1-38.7177.5-59.8174.3000110.8L704 A709 Q710L704-I707 PolarHBondContact O-N 3.12Å; I707-A709 VanDerWaalsContact C-N 3.34Å; I707-A709 PolarHBondContact O-N 3.32Å; I707-Q710 PolarHBondContact O-N 3.13Å
708A49.8Very low42.5Very low75 Ų75124 Ų12462%0.6273%0.726SS**Hα-helixtrans-62.8-38.7174.800000112.5L704 Q710L704-A708 PolarHBondContact O-N 3.11Å; A708-Q710 PolarHBondContact O-N 3.37Å
709A47.6Very low42.4Very low64 Ų64128.9 Ų128.953%0.52973%0.728SS.*Hα-helixtrans-67.9-32.3-178.800000113.9S705 I707 R711 K712S705-A709 PolarHBondContact O-N 2.92Å; I707-A709 VanDerWaalsContact C-N 3.34Å; I707-A709 PolarHBondContact O-N 3.32Å; A709-R711 PolarHBondContact O-N 3.07Å; A709-K712 PolarHBondContact O-N 3.07Å
710Q46.5Very low42.1Very low142 Ų142129.5 Ų129.566%0.66473%0.726SS**Hα-helixtrans-69.5-29.1-175.7-76.3-179.2-17.100113.7Q706 I707 A708 K712Q706-Q710 PolarHBondContact O-N 3.28Å; I707-Q710 PolarHBondContact O-N 3.13Å; A708-Q710 PolarHBondContact O-N 3.37Å; Q710-K712 PolarHBondContact O-N 3.04Å
711R43Very low41.7Very low229 Ų229132.9 Ų132.986%0.86472%0.723SS**THydrogen-bonded Turntrans-75-3.8-179.7-71.2-170.8173.6-166.3-2.4114.8A709A709-R711 PolarHBondContact O-N 3.07Å
712K51.3Low41Very low191 Ų191132.6 Ų132.683%0.8373%0.727SS**THydrogen-bonded Turntrans-103.59.6-178.8-145.3176.9-178.2-177.40114.7A709 Q710A709-K712 PolarHBondContact O-N 3.07Å; Q710-K712 PolarHBondContact O-N 3.04Å
713R45Very low39.7Very low233 Ų233135.7 Ų135.788%0.87973%0.731SS**  trans-10210.2-179.4-93.3-177.2172.9164.6-0.8115.6
714A36.6Very low38.9Very low100 Ų100137.3 Ų137.383%0.82674%0.741SS**SBendtrans-97.615.9-17500000115.4
715A44Very low37.9Very low98 Ų98135.2 Ų135.281%0.8174%0.744SS**SBendtrans-145.588.3173.700000107.7
716G32.2Very low36.5Very low59 Ų59138.4 Ų138.461%0.60875%0.749SS**  trans-96163.1-158.200000116.5
717L31.4Very low35.7Very low171 Ų171139.1 Ų139.190%0.89575%0.75SS**  trans71.1137162.4-87.266.8000116
718I33.4Very low34.5Very low145 Ų145141.2 Ų141.274%0.74476%0.757SS**  cis-131.9149.9-1.5-64.5-174.7000109.4V720I718-V720 HydrophobicContact CG2-CG2 4.08Å
719E27.1Very low33.4Very low180 Ų180145.8 Ų145.884%0.84177%0.765SS**  trans-108.2131.3167.5178.8-178.5-141.200110.2
720V29.2Very low32.3Very low139 Ų139147.7 Ų147.784%0.84278%0.775SS**  trans-135.3142.5164.9179.80000108.8I718I718-V720 HydrophobicContact CG2-CG2 4.08Å
721K26Very low32.2Very low165 Ų165146.9 Ų146.972%0.71778%0.782SS**  trans-131.2130.8-160.8163.1-169.1171.7-175.70111.3
722T24.5Very low31.4Very low144 Ų144140.2 Ų140.288%0.88378%0.776SS**  trans-152.2169.7157.27.80000111
723Q26.4Very low30.9Very low159 Ų159136.9 Ų136.974%0.74377%0.774SS**  trans-122-167.8-166.6-62.4172-56.800111.5
724T26Very low30.1Very low131 Ų131133.3 Ų133.380%0.80477%0.771SS**  trans72.4105.5157.452.50000120.4
725A26.8Very low30.2Very low92 Ų92134.1 Ų134.176%0.7677%0.768SS**  66.7126.1114.500000122.6
726E24Very low29.4Very low154 Ų154133.7 Ų133.772%0.7277%0.765SS**  trans67.1133.4142-74-136.5121.800123.5
727K27.7Very low29.3Very low147 Ų147135.6 Ų135.664%0.63977%0.768SS**  trans81.9117.8139.8-80.1-177.1173.675.80122.2
728H26.4Very low29.3Very low148 Ų148134 Ų13469%0.68577%0.766SS**  trans78.5125.2139.8-79.3-78.5000123.3
729H26.7Very low29.9Very low170 Ų170132.4 Ų132.479%0.78776%0.764SS**  trans74.7146.7148.5-69.4-62.2000122.7
730S24.8Very low30Very low104 Ų104130 Ų13073%0.72776%0.762SS**  trans-98.7179.1174.451.80000109.8
731P44.2Very low30Very low126 Ų126128.9 Ų128.982%0.81876%0.76SS**  cis-136.2-152.814.243.1-22.1000115.5
732A25.4Very low30Very low88 Ų88128.8 Ų128.873%0.72777%0.767SS**  trans-72.2-179.6-175.600000113.8
733P41.8Very low30.9Very low122 Ų122127 Ų12779%0.79276%0.757SS**  cis-148.5-17439.843.5-21000119.7
734L26.7Very low30.8Very low158 Ų158125.9 Ų125.983%0.82776%0.757SS**  trans-44.9165.3163.4-74.4170.2000115.3
735P40.5Very low30.9Very low116 Ų116126.6 Ų126.675%0.75375%0.754SS**  -158.8178.850.745.1-23.1000121.8
736A27.1Very low31.4Very low90 Ų90127.3 Ų127.374%0.74475%0.751SS**  trans69.7151.1144.200000121.8
737S28.7Very low31.5Very low98 Ų98125 Ų12569%0.68575%0.751SS**  cis-174.7126.1-21.156.20000114.1
738V32.1Very low31.4Very low139 Ų139125.3 Ų125.384%0.84276%0.761SS**  trans52.7177.7156.2-90.90000119.7
739P44.7Very low32Very low110 Ų110123.5 Ų123.571%0.71476%0.762SS**  cis-132.2156.3-7.216.99.1000119
740V31Very low31.9Very low131 Ų131119.9 Ų119.979%0.79476%0.756SS**  trans59.1117133.6-179.90000122.3
741S27.6Very low32Very low115 Ų115122.9 Ų122.980%0.80476%0.762SS**  -176150.1113.9-75.70000113.3
742L26.5Very low31.2Very low163 Ų163123.8 Ų123.885%0.85377%0.765SS**  trans-131.6170.6175.3-93.5169.5000108.1
743P43.1Very low31.1Very low105 Ų105123.3 Ų123.368%0.68276%0.761SS**  cis-123.2-141.924.530.7-4.8000112.2
744D24.7Very low30.4Very low137 Ų137122.7 Ų122.773%0.73376%0.76SS**  cis-160.5-163.411.7-144.1-23.3000115
745I28.9Very low30.3Very low145 Ų145121.2 Ų121.274%0.74475%0.753SS**  trans-125.7165.7-161-71.4166.2000109.6
746P36.9Very low29.7Very low107 Ų107122.7 Ų122.770%0.69575%0.754SS**  cis-131.7177-1.631.9-9.6000118
747S25.2Very low29.5Very low105 Ų105126.9 Ų126.973%0.73476%0.758SS**  trans55.5116.4139.2650000124.8
748N26.4Very low29.4Very low155 Ų155126.8 Ų126.883%0.82976%0.763SS**  1.3152.3123.3-82.9-6.8000119.4
749P39.6Very low29.1Very low110 Ų110130.9 Ų130.971%0.71476%0.763SS**  cis-156.1163.349.445.3-25000121.6
750S24.8Very low28.2Very low94 Ų94136.2 Ų136.266%0.65777%0.769SS**  trans52.8127.2134.672.70000125.7
751L26.7Very low27.9Very low166 Ų166136.7 Ų136.787%0.86976%0.761SS**  82.3165.4127.9-75.5171.7000122.7
752V26.4Very low27.8Very low145 Ų145138.8 Ų138.888%0.87976%0.76SS**  trans83.6137.5178.5-170.70000115.1
753A24.6Very low27.6Very low78 Ų78137.7 Ų137.765%0.64575%0.75SS**  cis177.5165.7-43.400000107.7
754S26.6Very low26.8Very low109 Ų109139.7 Ų139.776%0.76275%0.754SS**  trans67.4150.8157.6-78.80000118.1
755D24.5Very low26.9Very low128 Ų128142.1 Ų142.168%0.68476%0.758SS**  cis-165.5-173-10.5-130.5-63.7000113.9
756L26.8Very low26.8Very low146 Ų146144.4 Ų144.476%0.76476%0.763SS**  trans79.689149.5-75.6156000123.2
757H24.9Very low26.1Very low179 Ų179148.6 Ų148.683%0.82977%0.765SS**  27.6128.3124.5-63.1-41.5000125.6
758A25.8Very low26.2Very low96 Ų96149 Ų14979%0.79377%0.767SS**  -165.5130.5120.400000109.6
759R25.8Very low26.2Very low225 Ų225148.1 Ų148.185%0.84976%0.758SS**  56133.963.4-85.4-171.2172.3-168.4-0113.5
760R25.8Very low25.7Very low222 Ų222148.3 Ų148.384%0.83876%0.762SS**  cis-154.9169.114.9-99.3167167170.8-5.6107.6
761K25.2Very low25.7Very low141 Ų141146.9 Ų146.961%0.61376%0.762SS**  cis-171.5178.2-22-165.4-126.8159-1710107.5E763K761-E763 WeakPolarHBondContact CE-OE2 3.4Å; K761-E763 IonicContact NZ-OE2 2.69Å; K761-E763 PolarHBondContact NZ-OE2 3.07Å
762M25.5Very low25.7Very low159 Ų159146.5 Ų146.578%0.78376%0.761SS**  trans80.6144.3167.8-82.7127.7167.800119.4
763E22.4Very low25.8Very low140 Ų140145 Ų14565%0.65476%0.757SS**  cis153.4121.1-37.2169.6174.4-162.200110.4K761K761-E763 WeakPolarHBondContact CE-OE2 3.4Å; K761-E763 IonicContact NZ-OE2 2.69Å; K761-E763 PolarHBondContact NZ-OE2 3.07Å
764L26Very low26Very low146 Ų146146.2 Ų146.276%0.76476%0.761SS**  trans179.8131.2139.9-100.1161.9000113.5
765K25.8Very low26.2Very low188 Ų188146.8 Ų146.882%0.81776%0.76SS**  trans18.8144.3139.5-76173.9-172.4168.40120.6
766K26.3Very low26.4Very low194 Ų194145.8 Ų145.884%0.84376%0.763SS**  cis-165.1160.4-0.5-157.8-172.4178.3-171.80111.1
767R24.2Very low26.6Very low194 Ų194148.4 Ų148.473%0.73277%0.768SS**  trans-58.2153.1158.9-163.7161.1177-173.9-0.5109.9
768S26Very low26.9Very low113 Ų113144.8 Ų144.879%0.7976%0.763SS**  -167.8-177.263.158.50000117.1
769Q27.3Very low27.3Very low138 Ų138147.1 Ų147.165%0.64577%0.768SS**  trans-96.2162.5-172.6-56.6150.5-103.400112.9
770S27.7Very low27.6Very low113 Ų113141.6 Ų141.679%0.7976%0.764SS**  trans26.9133.6142.463.20000122.5
771G26.6Very low28.6Very low64 Ų64136.8 Ų136.866%0.6676%0.761SS**  119.4112.2106.700000120.1
772N26.6Very low28.8Very low158 Ų158136 Ų13685%0.84577%0.768SS**  trans74.8118.4139.9-55.33.3000121.6
773S27.2Very low29.1Very low114 Ų114136.2 Ų136.280%0.79777%0.772SS**  trans28.4131.5131.4-42.80000119.8
774S29.6Very low29.9Very low103 Ų103135.6 Ų135.672%0.7278%0.777SS**  174.6-175.258.547.80000113.3
775T30.3Very low30.9Very low121 Ų121133.9 Ų133.974%0.74278%0.775SS**  trans97.5103.5161.271.50000121.6
776S29Very low31.3Very low107 Ų107130.3 Ų130.375%0.74877%0.774SS**  74.1149.6120.8-54.90000124.2
777K31.8Very low32Very low201 Ų201126.8 Ų126.887%0.87477%0.771SS**  trans81.3148.8169.1-58.3177.7-177.4176.50117.4
778S30Very low32.6Very low103 Ų103123.1 Ų123.172%0.7278%0.775SS**  cis179131.9-37.4490000110.9
779T35.2Very low33.5Very low146 Ų146123.2 Ų123.290%0.89677%0.773SS**  trans-153.4133.9164.447.60000112.9
780S30.6Very low33.9Very low109 Ų109123 Ų12376%0.76278%0.781SS**  trans-107.8165.7166.8-48.20000109.8
781P47.3Very low34.9Very low121 Ų121123.1 Ų123.179%0.78678%0.779SS**  -129.415473.712.211.7000112.7
782T29.3Very low34.9Very low123 Ų123130 Ų13076%0.75579%0.791SS**  72.2100.655.8-49.50000114.5
783L31.4Very low35.4Very low165 Ų165129.9 Ų129.986%0.86479%0.789SS**  trans-164.3140.4131.4-103.9177.3000111.1
784T38.9Very low35.6Very low126 Ų126130.3 Ų130.377%0.77379%0.789SS**  trans-144.2-176.2179.957.10000107
785P48.9Very low35.6Very low111 Ų111130.1 Ų130.172%0.72179%0.793SS**  cis-134.5-169.4-143.5-25.7000114.4
786S32.8Very low36Very low112 Ų112127.6 Ų127.678%0.78379%0.791SS**  trans-85.3162.2157.2-48.20000111.5
787P41.2Very low36.3Very low121 Ų121129.1 Ų129.179%0.78680%0.799SS**  -141.4160.3128.138-26000114.7
788S37.3Very low36.3Very low117 Ų117123.1 Ų123.182%0.81879%0.794SS**  trans-80.6165.1172.2-43.90000112.6
789P45.2Very low36.2Very low114 Ų114125.8 Ų125.874%0.7480%0.8SS**  trans-144.2111.6140.233.4-15.7000116.1
790T35.2Very low35.8Very low133 Ų133124.2 Ų124.282%0.81680%0.795SS**  trans57.6154.9133.349.70000123.6
791P48.4Very low35.7Very low117 Ų117126.6 Ų126.676%0.7680%0.798SS**  trans-104-178-168.442.4-37.7000114.7
792K26.6Very low34.7Very low208 Ų208125.7 Ų125.790%0.90480%0.795SS**  trans-154.1130156.6-108.9158.1-175.2173.60112.2
793I36.5Very low34.7Very low156 Ų156125.1 Ų125.180%0.880%0.796SS**  trans-98.7154157.2-26.8178.8000106.3
794P33Very low34.4Very low122 Ų122122.2 Ų122.279%0.79280%0.796SS**  -147.7167.39539-23.3000114.7
795A27.8Very low33.8Very low99 Ų99121.1 Ų121.182%0.81879%0.793SS**  trans-146.7130.3163.100000110
796G40.7Very low32.9Very low68 Ų68120.7 Ų120.770%0.70179%0.793SS**  trans73.6169.7-175.300000114.6
797P35.3Very low32.8Very low140 Ų140123.9 Ų123.991%0.90980%0.795SS**  cis-95.6179.54.938.8-34.9000113.4
798G30Very low32.7Very low74 Ų74123.2 Ų123.276%0.76379%0.791SS**  trans-131.8-178166.300000110.3
799D28.9Very low32.2Very low159 Ų159128.6 Ų128.685%0.8579%0.793SS**  trans-149.3113.5175.6-144.7-18.8000112.3
800S26.5Very low31.4Very low113 Ų113127.9 Ų127.979%0.7979%0.791SS**  trans-174.9109.9157.4-83.40000110.5
801L27.8Very low31.2Very low159 Ų159130.7 Ų130.783%0.83279%0.792SS**SBendtrans68.483.6158.4-52.5-176.7000118.3
802S28Very low30.2Very low102 Ų102130.4 Ų130.471%0.71379%0.793SS**  142.8114.891.3-76.90000116.4
803S28.1Very low30.3Very low111 Ų111125.9 Ų125.978%0.77679%0.787SS**  trans81.190.4135.4-56.10000121.8
804A24.8Very low29.9Very low104 Ų104122.5 Ų122.586%0.8679%0.79SS**  73.7153.7128.400000120.6
805S27Very low29.5Very low103 Ų103120.3 Ų120.372%0.7279%0.79SS**  cis-172.5149.8-25.6-178.70000109.4
806S29.9Very low29.6Very low102 Ų102121.5 Ų121.571%0.71379%0.792SS**  trans65.7155.4169.980.50000116.3
807H29.9Very low29.1Very low179 Ų179123.6 Ų123.683%0.82980%0.796SS**  cis-157.7160.3-13.3-114.87.6000109.7
808P40.2Very low28.9Very low108 Ų108123 Ų12370%0.70180%0.795SS**  trans-100.6167.9175.138.3-33.9000114.4
809R26Very low29Very low229 Ų229123 Ų12386%0.86480%0.796SS**  trans101.1106.6161.7-63.1176.9156.3-178.7-5.2120.3
810S29.7Very low29.8Very low99 Ų99121.8 Ų121.869%0.69279%0.794SS**  71.6145.411881.40000123.8
811K30Very low30.4Very low193 Ų193123 Ų12384%0.83979%0.79SS**  trans79.7165.2157.9-63.9-177177.8-177.60118.2
812S27.5Very low31.2Very low111 Ų111118.3 Ų118.378%0.77677%0.769SS**  trans64.5139.9-172.455.40000115.5
813S29.6Very low32.1Very low113 Ų113120.6 Ų120.679%0.7977%0.773SS**  cis87.5116.11785.90000116.1
814G27.3Very low33.2Very low84 Ų84120.8 Ų120.887%0.86676%0.762SS**  trans87.2154.1-164.200000110.8
815G25.2Very low34.5Very low76 Ų76120.1 Ų120.178%0.78474%0.743SS**  cis164.7128.1-200000109.4
816S29.6Very low35.9Very low124 Ų124122 Ų12287%0.86774%0.741SS**  trans-37.2136.1-171-500000117.5
817S30.9Very low36.9Very low112 Ų112121 Ų12178%0.78373%0.727SS**  -176.8156.7109.344.60000113
818S30.3Very low38Very low128 Ų128113.9 Ų113.990%0.89570%0.698SS**  trans12.6138.7166.4-52.40000121.5
819G32.8Very low38.3Very low75 Ų75111 Ų11177%0.77368%0.68SS**  cis-170.4-1757.700000114.2
820T44.2Very low39.6Very low133 Ų133104.5 Ų104.582%0.81666%0.661SS**  trans-69134.4-171.846.20000113.6
821I40Very low40.5Very low137 Ų137100.7 Ų100.770%0.70363%0.633SS**  trans-127.9129.9133.9-170.8164.9000105.6D825I821-D825 HydrophobicContact CG1-CB 4.07Å
822T43.8Very low41.4Very low62 Ų6297.8 Ų97.838%0.3862%0.621SS.*  trans-107.9156.3-177.939.90000109.8E824 D825T822-E824 PolarHBondContact O-N 2.91Å; T822-E824 VanDerWaalsContact O-N 3.08Å; T822-D825 WeakPolarHBondContact O-CB 3.5Å; T822-D825 PolarHBondContact O-N 2.86Å
823D48.2Very low42.3Very low150 Ų150100 Ų10080%0.80262%0.616SS**Hα-helixtrans-59.8-23.1179.5-50.6-80.1000112.4D825 E826 L827D823-D825 VanDerWaalsContact C-N 3.28Å; D823-D825 PolarHBondContact O-N 2.7Å; D823-E826 PolarHBondContact O-N 3.47Å; D823-L827 PolarHBondContact O-N 3.09Å
824E50.8Low43Very low115 Ų11599.5 Ų99.554%0.53760%0.604SS.*Hα-helixtrans-55.6-33.1168.9-67.3171-167.100113.7T822 S828T822-E824 PolarHBondContact O-N 2.91Å; T822-E824 VanDerWaalsContact O-N 3.08Å; E824-S828 WeakPolarHBondContact O-CB 3.49Å; E824-S828 PolarHBondContact O-N 3.26Å; E824-S828 PolarHBondContact O-OG 3.43Å
825D52.3Low43.8Very low89 Ų89100.3 Ų100.348%0.47660%0.596SS.*Hα-helixtrans-68.9-33178.1-88.6-46.1000111.7I821 T822 D823 S829I821-D825 HydrophobicContact CG1-CB 4.07Å; T822-D825 WeakPolarHBondContact O-CB 3.5Å; T822-D825 PolarHBondContact O-N 2.86Å; D823-D825 VanDerWaalsContact C-N 3.28Å; D823-D825 PolarHBondContact O-N 2.7Å; D825-S829 WeakPolarHBondContact O-CB 3.32Å; D825-S829 PolarHBondContact O-N 2.95Å
826E56.3Low44.9Very low142 Ų14299 Ų9966%0.66457%0.571SS**Hα-helixtrans-75.6-42.8175.9-63.3-152.5159.700111.5D823 S829 I830D823-E826 PolarHBondContact O-N 3.47Å; E826-S829 WeakPolarHBondContact O-CB 3.49Å; E826-S829 PolarHBondContact O-N 2.83Å; E826-I830 WeakPolarHBondContact O-CG1 3.2Å; E826-I830 PolarHBondContact O-N 3.43Å
827L51.3Low46Very low82 Ų8297.7 Ų97.743%0.42955%0.551SS.*Hα-helixtrans-62.1-44.8173.9-165.374.1000111.1D823 S829 I830 L831D823-L827 PolarHBondContact O-N 3.09Å; L827-S829 PolarHBondContact O-N 2.92Å; L827-I830 PolarHBondContact O-N 3.48Å; L827-L831 HydrophobicContact CG-CD1 4.26Å; L827-L831 WeakPolarHBondContact O-CB 3.36Å; L827-L831 WeakPolarHBondContact O-CG 3.09Å; L827-L831 PolarHBondContact O-N 3.4Å
828S51.4Low46.7Very low30 Ų30101.1 Ų101.121%0.2155%0.552CS.*Hα-helixtrans-62.5-40174.4-60.30000111.6E824 I830 L831 K832 Q840E824-S828 WeakPolarHBondContact O-CB 3.49Å; E824-S828 PolarHBondContact O-N 3.26Å; E824-S828 PolarHBondContact O-OG 3.43Å; S828-I830 VanDerWaalsContact C-N 3.32Å; S828-I830 PolarHBondContact O-N 2.82Å; S828-L831 PolarHBondContact O-N 3.24Å; S828-K832 WeakPolarHBondContact O-CB 3.03Å; S828-K832 PolarHBondContact O-N 3.37Å; S828-Q840 PolarHBondContact OG-NE2 3.22Å; S828-Q840 VanDerWaalsContact OG-NE2 3.12Å
829S47.1Very low47.5Very low47 Ų4798.5 Ų98.533%0.32952%0.523SS..Hα-helixtrans-60.8-38.4174.6-179.70000112.3D825 E826 L827 K833D825-S829 WeakPolarHBondContact O-CB 3.32Å; D825-S829 PolarHBondContact O-N 2.95Å; E826-S829 WeakPolarHBondContact O-CB 3.49Å; E826-S829 PolarHBondContact O-N 2.83Å; L827-S829 PolarHBondContact O-N 2.92Å; S829-K833 WeakPolarHBondContact O-CB 3.33Å; S829-K833 WeakPolarHBondContact O-CD 3.4Å; S829-K833 WeakPolarHBondContact O-CG 3.44Å; S829-K833 PolarHBondContact O-N 2.81Å; S829-K833 PolarHBondContact OG-NZ 3.04Å
830I53.1Low47.9Very low93 Ų9397 Ų9748%0.47750%0.496SS..Hα-helixtrans-73.8-48.5177-66.6164.5000110.9E826 L827 S828 K832 K833 L834E826-I830 WeakPolarHBondContact O-CG1 3.2Å; E826-I830 PolarHBondContact O-N 3.43Å; L827-I830 PolarHBondContact O-N 3.48Å; S828-I830 VanDerWaalsContact C-N 3.32Å; S828-I830 PolarHBondContact O-N 2.82Å; I830-K832 VanDerWaalsContact C-N 3.27Å; I830-K832 PolarHBondContact O-N 2.63Å; I830-K833 PolarHBondContact O-N 3.08Å; I830-L834 HydrophobicContact CG2-CD1 4.06Å; I830-L834 WeakPolarHBondContact O-CG 3.35Å; I830-L834 PolarHBondContact O-N 2.88Å
831L49Very low47.8Very low19 Ų1995.2 Ų95.210%0.09949%0.486CS..Hα-helixtrans-59-37.9175.6-72.6170.5000112.2L827 S828 L834 S835 L836 Q840L827-L831 HydrophobicContact CG-CD1 4.26Å; L827-L831 WeakPolarHBondContact O-CB 3.36Å; L827-L831 WeakPolarHBondContact O-CG 3.09Å; L827-L831 PolarHBondContact O-N 3.4Å; S828-L831 PolarHBondContact O-N 3.24Å; L831-L834 CarbonylContact O-C 3.44Å; L831-L834 PolarHBondContact O-N 2.96Å; L831-S835 PolarHBondContact O-N 3.1Å; L831-L836 HydrophobicContact CD2-CB 3.95Å; L831-L836 PolarHBondContact O-N 3.24Å; L831-Q840 HydrophobicContact CD1-CB 4.27Å; L831-Q840 HydrophobicContact CD1-CG 4.32Å
832K47.9Very low48Very low132 Ų13293.5 Ų93.557%0.57448%0.478SS*.Hα-helixtrans-67.9-41.6175.4-173.4177.8-137.680.50112.3S828 I830 L834 S835 E837S828-K832 WeakPolarHBondContact O-CB 3.03Å; S828-K832 PolarHBondContact O-N 3.37Å; I830-K832 VanDerWaalsContact C-N 3.27Å; I830-K832 PolarHBondContact O-N 2.63Å; K832-L834 VanDerWaalsContact C-N 3.27Å; K832-L834 PolarHBondContact O-N 3.23Å; K832-S835 PolarHBondContact O-N 2.67Å; K832-E837 HydrophobicContact CB-CG 4.25Å; K832-E837 WeakPolarHBondContact CG-OE1 3.47Å; K832-E837 IonicContact NZ-OE1 2.63Å; K832-E837 PolarHBondContact NZ-OE1 3.2Å
833K47.4Very low48.1Very low158 Ų15894.8 Ų94.869%0.68748%0.478SS*.Hα-helixtrans-63-32.7172.1-75.3163.4-172.5159.80112.5S829 I830S829-K833 WeakPolarHBondContact O-CB 3.33Å; S829-K833 WeakPolarHBondContact O-CD 3.4Å; S829-K833 WeakPolarHBondContact O-CG 3.44Å; S829-K833 PolarHBondContact O-N 2.81Å; S829-K833 PolarHBondContact OG-NZ 3.04Å; I830-K833 PolarHBondContact O-N 3.08Å
834L45.2Very low48.1Very low102 Ų10292.5 Ų92.553%0.53446%0.463SS..THydrogen-bonded Turntrans-89.90.2177.2-63.5174.9000114I830 L831 K832 L836I830-L834 HydrophobicContact CG2-CD1 4.06Å; I830-L834 WeakPolarHBondContact O-CG 3.35Å; I830-L834 PolarHBondContact O-N 2.88Å; L831-L834 CarbonylContact O-C 3.44Å; L831-L834 PolarHBondContact O-N 2.96Å; K832-L834 VanDerWaalsContact C-N 3.27Å; K832-L834 PolarHBondContact O-N 3.23Å; L834-L836 VanDerWaalsContact C-N 3.27Å; L834-L836 HydrophobicContact CB-CD1 4.14Å; L834-L836 HydrophobicContact CB-CG 4.32Å; L834-L836 PolarHBondContact O-N 3.48Å
835S42.3Very low47.8Very low101 Ų10195.6 Ų95.671%0.70648%0.477SS*.THydrogen-bonded Turntrans58.728.8-176.8-52.80000115.3L831 K832L831-S835 PolarHBondContact O-N 3.1Å; K832-S835 PolarHBondContact O-N 2.67Å
836L49.6Very low47.4Very low49 Ų4998.1 Ų98.126%0.25749%0.486SS..  trans-103.310.3-176-70.7173.5000114.6L831 L834 K838 Y839L831-L836 HydrophobicContact CD2-CB 3.95Å; L831-L836 PolarHBondContact O-N 3.24Å; L834-L836 VanDerWaalsContact C-N 3.27Å; L834-L836 HydrophobicContact CB-CD1 4.14Å; L834-L836 HydrophobicContact CB-CG 4.32Å; L834-L836 PolarHBondContact O-N 3.48Å; L836-K838 PolarHBondContact O-N 2.82Å; L836-Y839 HydrophobicContact CD2-CD2 4.33Å; L836-Y839 PolarHBondContact O-N 3.33Å
837E52.3Low47.1Very low96 Ų96101 Ų10145%0.44950%0.499SS..G310 helixtrans-46-29.7-176.8-53.3-177.911500114.9K832 Y839 Q840K832-E837 HydrophobicContact CB-CG 4.25Å; K832-E837 WeakPolarHBondContact CG-OE1 3.47Å; K832-E837 IonicContact NZ-OE1 2.63Å; K832-E837 PolarHBondContact NZ-OE1 3.2Å; E837-Y839 PolarHBondContact O-N 3.47Å; E837-Q840 PolarHBondContact O-N 3.43Å
838K45.7Very low46.9Very low183 Ų183100.5 Ų100.580%0.79650%0.5SS*.G310 helixtrans-68.8-12.1-177.4-152.7-172176.5-173.30114.5L836L836-K838 PolarHBondContact O-N 2.82Å
839Y47.5Very low47Very low74 Ų74104 Ų10429%0.2952%0.516SS..G310 helixtrans-112.15.1-176.2-58.6-72.1000113.9L836 E837 P841 I842L836-Y839 HydrophobicContact CD2-CD2 4.33Å; L836-Y839 PolarHBondContact O-N 3.33Å; E837-Y839 PolarHBondContact O-N 3.47Å; Y839-P841 VanDerWaalsContact C-CD 3.43Å; Y839-I842 HydrophobicContact CD1-CD1 4.06Å; Y839-I842 WeakPolarHBondContact O-CB 3.44Å; Y839-I842 WeakPolarHBondContact O-CG1 3.47Å; Y839-I842 PolarHBondContact O-N 3.41Å
840Q41.2Very low47.1Very low44 Ų44105.5 Ų105.521%0.20652%0.519CS..G310 helixtrans-50.3-41.6-178.1-178.9160.8-8.700115.1S828 L831 E837 I842 F843 E844S828-Q840 PolarHBondContact OG-NE2 3.22Å; S828-Q840 VanDerWaalsContact OG-NE2 3.12Å; L831-Q840 HydrophobicContact CD1-CB 4.27Å; L831-Q840 HydrophobicContact CD1-CG 4.32Å; E837-Q840 PolarHBondContact O-N 3.43Å; Q840-I842 PolarHBondContact O-N 3.04Å; Q840-F843 PolarHBondContact O-N 2.96Å; Q840-E844 WeakPolarHBondContact CG-OE1 3.44Å; Q840-E844 PolarHBondContact NE2-OE1 3.02Å
841P40.8Very low47.2Very low94 Ų94106.6 Ų106.661%0.6152%0.522SS*.G310 helixtrans-63.4-7.9178.8-23.735.1000115.9Y839Y839-P841 VanDerWaalsContact C-CD 3.43Å
842I45.4Very low47.7Very low101 Ų101108.1 Ų108.152%0.51854%0.538SS..G310 helixtrans-85.1-22.5178-54.4178.4000111Y839 Q840Y839-I842 HydrophobicContact CD1-CD1 4.06Å; Y839-I842 WeakPolarHBondContact O-CB 3.44Å; Y839-I842 WeakPolarHBondContact O-CG1 3.47Å; Y839-I842 PolarHBondContact O-N 3.41Å; Q840-I842 PolarHBondContact O-N 3.04Å
843F44.9Very low48.1Very low90 Ų90104.9 Ų104.940%0.39552%0.523SS..THydrogen-bonded Turntrans-101.3-10.1-173.3-64.9-83.5000114.2Q840Q840-F843 PolarHBondContact O-N 2.96Å
844E47.9Very low48.7Very low101 Ų10199.2 Ų99.247%0.47250%0.501SS..SBendtrans-91-23.4-178.4-76162.2-169.800113.5Q840Q840-E844 WeakPolarHBondContact CG-OE1 3.44Å; Q840-E844 PolarHBondContact NE2-OE1 3.02Å
845E44.6Very low49.6Very low180 Ų18099.2 Ų99.284%0.84151%0.505SS*.SBendtrans-105-3.3-176.8-69.8-163.2141.500115.4
846Q44.6Very low50.8Low143 Ų14396.3 Ų96.367%0.66848%0.481SS*.SBendtrans-138.4131.1-179.4-66.3-173.4-12.100112V848Q846-V848 HydrophobicContact CB-CG2 4.18Å; Q846-V848 PolarHBondContact O-N 3.32Å
847E49.4Very low51.8Low201 Ų20197.5 Ų97.594%0.93949%0.491SS*.  trans-71.478170.4-65.3-177.4138.300109.7D849E847-D849 PolarHBondContact O-N 3.44Å
848V48.5Very low52.4Low73 Ų7395.8 Ų95.844%0.44248%0.484SS..  trans-72.3119.2-177.6-1790000110.5Q846 M850Q846-V848 HydrophobicContact CB-CG2 4.18Å; Q846-V848 PolarHBondContact O-N 3.32Å; V848-M850 PolarHBondContact O-N 3.13Å
849D51.9Low53.5Low103 Ų10388.7 Ų88.755%0.55146%0.463SS*.  trans-61.6120.2176.5-169.1-24.9000111.2E847 E851 A852 F853E847-D849 PolarHBondContact O-N 3.44Å; D849-E851 VanDerWaalsContact C-N 3.3Å; D849-E851 PolarHBondContact O-N 3.22Å; D849-E851 PolarHBondContact OD1-N 2.87Å; D849-A852 HydrophobicContact CB-CB 4.13Å; D849-A852 WeakPolarHBondContact O-CB 3.34Å; D849-A852 PolarHBondContact O-N 2.97Å; D849-F853 PolarHBondContact O-N 2.99Å
850M49Very low54.6Low79 Ų7988.2 Ų88.239%0.38947%0.466SS..Hα-helixtrans-70.3-24.1-176.5-172.3163.451.800112.8V848 L854 L893 I897V848-M850 PolarHBondContact O-N 3.13Å; M850-L854 HydrophobicContact CG-CD1 4.47Å; M850-L854 WeakPolarHBondContact O-CG 3.2Å; M850-L854 PolarHBondContact O-N 3.4Å; M850-L854 VanDerWaalsContact O-N 3.15Å; M850-L893 HydrophobicContact CE-CD1 3.56Å; M850-L893 HydrophobicContact CE-CG 3.96Å; M850-L893 HydrophobicContact SD-CD1 3.83Å; M850-I897 HydrophobicContact CE-CD1 4.44Å; M850-I897 HydrophobicContact CE-CG1 4.45Å
851E55.2Low55.8Low115 Ų11586.4 Ų86.454%0.53746%0.458SS..Hα-helixtrans-73.5-33.1172.1-62.4-162.9170.800111.3D849 T855D849-E851 VanDerWaalsContact C-N 3.3Å; D849-E851 PolarHBondContact O-N 3.22Å; D849-E851 PolarHBondContact OD1-N 2.87Å; E851-T855 WeakPolarHBondContact O-CG2 3.27Å; E851-T855 PolarHBondContact O-N 3.17Å; E851-T855 PolarHBondContact O-OG1 2.88Å
852A59.6Low57Low52 Ų5286.5 Ų86.543%0.4345%0.449SS..Hα-helixtrans-68.3-42.1171.500000111.6D849 L854 T855 L856D849-A852 HydrophobicContact CB-CB 4.13Å; D849-A852 WeakPolarHBondContact O-CB 3.34Å; D849-A852 PolarHBondContact O-N 2.97Å; A852-L854 PolarHBondContact O-N 3.13Å; A852-T855 PolarHBondContact O-N 3.18Å; A852-T855 PolarHBondContact O-OG1 3.07Å; A852-T855 VanDerWaalsContact O-OG1 3.05Å; A852-L856 PolarHBondContact O-N 3.43Å
853F58.1Low58.1Low63 Ų6390.2 Ų90.228%0.27646%0.463SS..Hα-helixtrans-61.1-44.5176.8-178.9-97.9000112.7D849 T855 L856 I879D849-F853 PolarHBondContact O-N 2.99Å; F853-T855 PolarHBondContact O-N 3.18Å; F853-L856 HydrophobicContact CD2-CD1 3.74Å; F853-L856 HydrophobicContact CE2-CD1 4.2Å; F853-L856 HydrophobicContact CG-CD1 4.46Å; F853-L856 PolarHBondContact O-N 2.95Å; F853-I879 HydrophobicContact CD1-CG1 4.41Å; F853-I879 HydrophobicContact CE1-CD1 4.22Å; F853-I879 HydrophobicContact CE1-CG1 3.79Å; F853-I879 HydrophobicContact CZ-CD1 4.15Å; F853-I879 HydrophobicContact CZ-CG1 4.09Å
854L59.2Low58.6Low40 Ų4091.7 Ų91.721%0.20948%0.475CS..THydrogen-bonded Turntrans-71.3-5.6-179.6-71.8173000114.4M850 A852 L882 N883 L893M850-L854 HydrophobicContact CG-CD1 4.47Å; M850-L854 WeakPolarHBondContact O-CG 3.2Å; M850-L854 PolarHBondContact O-N 3.4Å; M850-L854 VanDerWaalsContact O-N 3.15Å; A852-L854 PolarHBondContact O-N 3.13Å; L854-L882 HydrophobicContact CD2-CB 4.06Å; L854-L882 HydrophobicContact CD2-CD1 4.22Å; L854-N883 PolarHBondContact O-ND2 3.27Å; L854-L893 HydrophobicContact CD1-CD2 4.34Å
855T63.4Low58.8Low102 Ų10288.7 Ų88.763%0.62647%0.472SS*.THydrogen-bonded Turntrans-110.9-1177.549.50000114.2E851 A852 F853 T857E851-T855 WeakPolarHBondContact O-CG2 3.27Å; E851-T855 PolarHBondContact O-N 3.17Å; E851-T855 PolarHBondContact O-OG1 2.88Å; A852-T855 PolarHBondContact O-N 3.18Å; A852-T855 PolarHBondContact O-OG1 3.07Å; A852-T855 VanDerWaalsContact O-OG1 3.05Å; F853-T855 PolarHBondContact O-N 3.18Å; T855-T857 PolarHBondContact O-N 2.83Å
856L67.5Low59.5Low40 Ų4081.8 Ų81.821%0.20944%0.44CS..  trans-58.3132.1177.3-73.4171.3000113A852 F853 D860 L861 L864 I879A852-L856 PolarHBondContact O-N 3.43Å; F853-L856 HydrophobicContact CD2-CD1 3.74Å; F853-L856 HydrophobicContact CE2-CD1 4.2Å; F853-L856 HydrophobicContact CG-CD1 4.46Å; F853-L856 PolarHBondContact O-N 2.95Å; L856-D860 HydrophobicContact CD2-CB 3.82Å; L856-L861 HydrophobicContact CD1-CD2 4.17Å; L856-L864 HydrophobicContact CD2-CD1 4.09Å; L856-I879 HydrophobicContact CB-CD1 4.26Å
857T72Confident60Low73 Ų7383.7 Ų83.745%0.44845%0.446SS..  trans-103.4171.5176.778.60000112.7T855 G859 D860 L861T855-T857 PolarHBondContact O-N 2.83Å; T857-G859 PolarHBondContact O-N 3.21Å; T857-G859 PolarHBondContact OG1-N 3.35Å; T857-D860 WeakPolarHBondContact CA-OD2 3.44Å; T857-D860 VanDerWaalsContact CB-OD2 3.22Å; T857-D860 WeakPolarHBondContact CB-OD2 3.35Å; T857-D860 WeakPolarHBondContact CG2-OD2 3.39Å; T857-D860 PolarHBondContact N-OD2 3.18Å; T857-D860 PolarHBondContact O-N 3.22Å; T857-D860 PolarHBondContact OG1-OD2 3.36Å; T857-L861 WeakPolarHBondContact O-CG 3.49Å; T857-L861 PolarHBondContact O-N 3.34Å; T857-L861 VanDerWaalsContact O-N 3.13Å
858D64.7Low60.5Low60 Ų6078.2 Ų78.232%0.32143%0.426SS..THydrogen-bonded Turntrans-58.1-26.3175.5-169.686000113.7K862 R872 L876D858-K862 WeakPolarHBondContact O-CD 3.27Å; D858-K862 WeakPolarHBondContact O-CG 3.49Å; D858-K862 WeakPolarHBondContact OD2-CE 3.42Å; D858-K862 IonicContact OD2-NZ 3.67Å; D858-K862 PolarHBondContact OD2-NZ 3.46Å; D858-R872 WeakPolarHBondContact OD1-CD 3.39Å; D858-L876 HydrophobicContact CB-CD1 3.81Å; D858-L876 WeakPolarHBondContact OD1-CD1 3.28Å
859G69.1Low61.2Low34 Ų3478.8 Ų78.835%0.35143%0.427SS..THydrogen-bonded Turntrans-75.4-49.1174.300000112.4T857 L861 K862 E863T857-G859 PolarHBondContact O-N 3.21Å; T857-G859 PolarHBondContact OG1-N 3.35Å; G859-L861 VanDerWaalsContact C-N 3.28Å; G859-L861 PolarHBondContact O-N 3.16Å; G859-K862 WeakPolarHBondContact O-CA 3.43Å; G859-K862 VanDerWaalsContact O-CB 3.3Å; G859-K862 WeakPolarHBondContact O-CB 3.37Å; G859-K862 PolarHBondContact O-N 3.36Å; G859-E863 PolarHBondContact O-N 3.29Å; G859-E863 VanDerWaalsContact O-N 3.07Å
860D70.7Confident61.9Low65 Ų6575.8 Ų75.835%0.34842%0.421SS..Hα-helixtrans-62.7-39.2-177.5-43.2-54.4000110.8L856 T857 K862 E863 L864L856-D860 HydrophobicContact CD2-CB 3.82Å; T857-D860 WeakPolarHBondContact CA-OD2 3.44Å; T857-D860 VanDerWaalsContact CB-OD2 3.22Å; T857-D860 WeakPolarHBondContact CB-OD2 3.35Å; T857-D860 WeakPolarHBondContact CG2-OD2 3.39Å; T857-D860 PolarHBondContact N-OD2 3.18Å; T857-D860 PolarHBondContact O-N 3.22Å; T857-D860 PolarHBondContact OG1-OD2 3.36Å; D860-K862 PolarHBondContact O-N 2.98Å; D860-E863 PolarHBondContact O-N 3.45Å; D860-L864 WeakPolarHBondContact O-CB 3.29Å; D860-L864 WeakPolarHBondContact O-CG 3.49Å; D860-L864 PolarHBondContact O-N 3.02Å
861L64.5Low62.4Low6 Ų673.8 Ų73.83%0.03141%0.413CS..Hα-helixtrans-65.8-17.3172.6-65.9172.9000113.9L856 T857 G859 I866 R872 I875 L876L856-L861 HydrophobicContact CD1-CD2 4.17Å; T857-L861 WeakPolarHBondContact O-CG 3.49Å; T857-L861 PolarHBondContact O-N 3.34Å; T857-L861 VanDerWaalsContact O-N 3.13Å; G859-L861 VanDerWaalsContact C-N 3.28Å; G859-L861 PolarHBondContact O-N 3.16Å; L861-I866 HydrophobicContact CD2-CD1 4.49Å; L861-I866 WeakPolarHBondContact O-CB 3.42Å; L861-I866 PolarHBondContact O-N 3.44Å; L861-R872 HydrophobicContact CB-CG 4Å; L861-R872 HydrophobicContact CD1-CG 4.03Å; L861-R872 PolarHBondContact O-NH1 3.09Å; L861-R872 VanDerWaalsContact O-NH1 3.11Å; L861-I875 HydrophobicContact CD1-CB 4.36Å; L861-I875 HydrophobicContact CD1-CG2 3.95Å; L861-I875 HydrophobicContact CD2-CG2 4.12Å; L861-L876 HydrophobicContact CD1-CD1 4.29Å; L861-L876 HydrophobicContact CD1-CD2 3.73Å; L861-L876 HydrophobicContact CD1-CG 3.69Å
862K67.7Low63.1Low96 Ų9668.5 Ų68.542%0.41739%0.388SS..Hα-helixtrans-84.8-38.4170.8-73.9166.5176.5154.80111.4D858 G859 D860 G865 R872D858-K862 WeakPolarHBondContact O-CD 3.27Å; D858-K862 WeakPolarHBondContact O-CG 3.49Å; D858-K862 WeakPolarHBondContact OD2-CE 3.42Å; D858-K862 IonicContact OD2-NZ 3.67Å; D858-K862 PolarHBondContact OD2-NZ 3.46Å; G859-K862 WeakPolarHBondContact O-CA 3.43Å; G859-K862 VanDerWaalsContact O-CB 3.3Å; G859-K862 WeakPolarHBondContact O-CB 3.37Å; G859-K862 PolarHBondContact O-N 3.36Å; D860-K862 PolarHBondContact O-N 2.98Å; K862-G865 PolarHBondContact O-N 3Å; K862-G865 VanDerWaalsContact O-N 3.09Å; K862-R872 VanDerWaalsContact CG-CZ 3.4Å; K862-R872 VanDerWaalsContact CG-NH1 3.28Å
863E67.1Low63.4Low178 Ų17872 Ų7283%0.83240%0.396SS*.Hα-helixtrans-71.2-35.4177.9-62.3-164.6171.800112G859 D860 G865G859-E863 PolarHBondContact O-N 3.29Å; G859-E863 VanDerWaalsContact O-N 3.07Å; D860-E863 PolarHBondContact O-N 3.45Å; E863-G865 PolarHBondContact O-N 3.3Å
864L56.9Low63.6Low121 Ų12175.2 Ų75.263%0.63441%0.412SS*.THydrogen-bonded Turntrans-64.85.4165.8-69.4167.1000114.1L856 D860 I866L856-L864 HydrophobicContact CD2-CD1 4.09Å; D860-L864 WeakPolarHBondContact O-CB 3.29Å; D860-L864 WeakPolarHBondContact O-CG 3.49Å; D860-L864 PolarHBondContact O-N 3.02Å; L864-I866 PolarHBondContact O-N 3.4Å
865G51.5Low63.8Low39 Ų3974.3 Ų74.340%0.40241%0.407SS..THydrogen-bonded Turntrans86-0.8165.900000116.3K862 E863 K867K862-G865 PolarHBondContact O-N 3Å; K862-G865 VanDerWaalsContact O-N 3.09Å; E863-G865 PolarHBondContact O-N 3.3Å; G865-K867 WeakPolarHBondContact O-CG 3.42Å; G865-K867 PolarHBondContact O-N 2.97Å; G865-K867 VanDerWaalsContact O-N 3.09Å
866I59.1Low64.1Low35 Ų3571.6 Ų71.618%0.17939%0.388CS..  trans-70.4105.8172.8-54.5177.3000108L861 L864 P871 R872 I875L861-I866 HydrophobicContact CD2-CD1 4.49Å; L861-I866 WeakPolarHBondContact O-CB 3.42Å; L861-I866 PolarHBondContact O-N 3.44Å; L864-I866 PolarHBondContact O-N 3.4Å; I866-P871 HydrophobicContact CG2-CB 4.5Å; I866-R872 PolarHBondContact O-NH1 3.34Å; I866-R872 PolarHBondContact O-NH2 2.91Å; I866-I875 HydrophobicContact CD1-CD1 3.87Å
867K55.2Low64Low183 Ų18372.1 Ų72.180%0.79640%0.398SS*.  trans-94.1-6.8-171.7-75.2160.8-171.2171.90114.9G865G865-K867 WeakPolarHBondContact O-CG 3.42Å; G865-K867 PolarHBondContact O-N 2.97Å; G865-K867 VanDerWaalsContact O-N 3.09Å
868T59.5Low63.5Low86 Ų8670.1 Ų70.153%0.52839%0.389SS..  trans-105.1133.3179.544.60000111.2
869D62.9Low63.6Low84 Ų8467.7 Ų67.745%0.44938%0.376SS..Hα-helixtrans-80.7-20.9-170.9-61-38.9000114.2R872 Q873D869-R872 WeakPolarHBondContact O-CB 3.1Å; D869-R872 PolarHBondContact O-N 3.05Å; D869-R872 IonicContact OD1-CZ 3.17Å; D869-R872 VanDerWaalsContact OD1-CZ 3.24Å; D869-R872 IonicContact OD1-NE 2.71Å; D869-R872 PolarHBondContact OD1-NE 3.41Å; D869-R872 IonicContact OD1-NH2 2.81Å; D869-R872 PolarHBondContact OD1-NH2 3.2Å; D869-Q873 WeakPolarHBondContact O-CB 3.24Å; D869-Q873 VanDerWaalsContact O-CG 3.26Å; D869-Q873 WeakPolarHBondContact O-CG 3.32Å; D869-Q873 PolarHBondContact O-N 3.2Å
870G67Low63.4Low41 Ų4169.5 Ų69.542%0.42338%0.384SS..Hα-helixtrans-60.3-59.2174.600000113.2R872 Q873 Q874G870-R872 VanDerWaalsContact C-N 3.28Å; G870-R872 PolarHBondContact O-N 2.85Å; G870-Q873 PolarHBondContact O-N 2.69Å; G870-Q874 PolarHBondContact O-N 3.03Å
871P60.4Low62.9Low36 Ų3673.7 Ų73.723%0.23440%0.401CS..Hα-helixtrans-59.6-36.9176.4-26.436.1000113.1I866 Q874 I875I866-P871 HydrophobicContact CG2-CB 4.5Å; P871-Q874 PolarHBondContact O-N 3.24Å; P871-I875 VanDerWaalsContact O-CG1 3.31Å; P871-I875 WeakPolarHBondContact O-CG1 3.48Å; P871-I875 PolarHBondContact O-N 3.24Å
872R68.7Low62.6Low4 Ų478.8 Ų78.82%0.01543%0.428CS..Hα-helixtrans-58-48.7174.2-172.6-162.8-41.8-54.4-3.2111.7D858 L861 K862 I866 D869 G870 Q874 I875 L876D858-R872 WeakPolarHBondContact OD1-CD 3.39Å; L861-R872 HydrophobicContact CB-CG 4Å; L861-R872 HydrophobicContact CD1-CG 4.03Å; L861-R872 PolarHBondContact O-NH1 3.09Å; L861-R872 VanDerWaalsContact O-NH1 3.11Å; K862-R872 VanDerWaalsContact CG-CZ 3.4Å; K862-R872 VanDerWaalsContact CG-NH1 3.28Å; I866-R872 PolarHBondContact O-NH1 3.34Å; I866-R872 PolarHBondContact O-NH2 2.91Å; D869-R872 WeakPolarHBondContact O-CB 3.1Å; D869-R872 PolarHBondContact O-N 3.05Å; D869-R872 IonicContact OD1-CZ 3.17Å; D869-R872 VanDerWaalsContact OD1-CZ 3.24Å; D869-R872 IonicContact OD1-NE 2.71Å; D869-R872 PolarHBondContact OD1-NE 3.41Å; D869-R872 IonicContact OD1-NH2 2.81Å; D869-R872 PolarHBondContact OD1-NH2 3.2Å; G870-R872 VanDerWaalsContact C-N 3.28Å; G870-R872 PolarHBondContact O-N 2.85Å; R872-Q874 VanDerWaalsContact C-N 3.35Å; R872-I875 PolarHBondContact O-N 2.73Å; R872-L876 HydrophobicContact CG-CD1 4.26Å; R872-L876 WeakPolarHBondContact O-CG 3.36Å; R872-L876 PolarHBondContact O-N 3.47Å
873Q66Low62.2Low127 Ų12778.4 Ų78.459%0.59343%0.43SS*.Hα-helixtrans-67.9-32.8177.9-73.2173.30.300112.3D869 G870 A877D869-Q873 WeakPolarHBondContact O-CB 3.24Å; D869-Q873 VanDerWaalsContact O-CG 3.26Å; D869-Q873 WeakPolarHBondContact O-CG 3.32Å; D869-Q873 PolarHBondContact O-N 3.2Å; G870-Q873 PolarHBondContact O-N 2.69Å; Q873-A877 WeakPolarHBondContact O-CB 3.42Å; Q873-A877 PolarHBondContact O-N 3.5Å
874Q62.8Low62Low130 Ų13073.4 Ų73.461%0.60742%0.419SS*.Hα-helixtrans-66.1-42.1172-70.8179.5-67.900112.3G870 P871 R872 A877 A878G870-Q874 PolarHBondContact O-N 3.03Å; P871-Q874 PolarHBondContact O-N 3.24Å; R872-Q874 VanDerWaalsContact C-N 3.35Å; Q874-A877 PolarHBondContact O-N 3.26Å; Q874-A878 WeakPolarHBondContact O-CB 3.22Å; Q874-A878 PolarHBondContact O-N 2.78Å
875I62.7Low61.6Low21 Ų2169.6 Ų69.611%0.10841%0.41CS..Hα-helixtrans-64.1-47.2176.1-68.6162.8000110.4L861 I866 P871 R872 A877 A878 I879L861-I875 HydrophobicContact CD1-CB 4.36Å; L861-I875 HydrophobicContact CD1-CG2 3.95Å; L861-I875 HydrophobicContact CD2-CG2 4.12Å; I866-I875 HydrophobicContact CD1-CD1 3.87Å; P871-I875 VanDerWaalsContact O-CG1 3.31Å; P871-I875 WeakPolarHBondContact O-CG1 3.48Å; P871-I875 PolarHBondContact O-N 3.24Å; R872-I875 PolarHBondContact O-N 2.73Å; I875-A877 VanDerWaalsContact C-N 3.33Å; I875-A877 PolarHBondContact O-N 2.87Å; I875-A878 PolarHBondContact O-N 3.25Å; I875-I879 HydrophobicContact CG2-CD1 3.78Å; I875-I879 WeakPolarHBondContact O-CG1 3.38Å; I875-I879 PolarHBondContact O-N 3.17Å
876L69.1Low61.5Low44 Ų4478 Ų7823%0.2344%0.435CS..Hα-helixtrans-63.9-36.3176.4-68.2169.8000112.5D858 L861 R872 S880D858-L876 HydrophobicContact CB-CD1 3.81Å; D858-L876 WeakPolarHBondContact OD1-CD1 3.28Å; L861-L876 HydrophobicContact CD1-CD1 4.29Å; L861-L876 HydrophobicContact CD1-CD2 3.73Å; L861-L876 HydrophobicContact CD1-CG 3.69Å; R872-L876 HydrophobicContact CG-CD1 4.26Å; R872-L876 WeakPolarHBondContact O-CG 3.36Å; R872-L876 PolarHBondContact O-N 3.47Å; L876-S880 WeakPolarHBondContact O-CB 3.35Å; L876-S880 PolarHBondContact O-N 3.22Å
877A65.8Low60.9Low51 Ų5178.8 Ų78.842%0.42145%0.452SS..Hα-helixtrans-62.9-48.1173.400000111.1Q873 Q874 I875 I879 S880 E881Q873-A877 WeakPolarHBondContact O-CB 3.42Å; Q873-A877 PolarHBondContact O-N 3.5Å; Q874-A877 PolarHBondContact O-N 3.26Å; I875-A877 VanDerWaalsContact C-N 3.33Å; I875-A877 PolarHBondContact O-N 2.87Å; A877-I879 PolarHBondContact O-N 3.05Å; A877-S880 CarbonylContact O-C 3.57Å; A877-S880 WeakPolarHBondContact O-CA 3.44Å; A877-S880 PolarHBondContact O-N 2.95Å; A877-S880 VanDerWaalsContact O-N 3.09Å; A877-S880 PolarHBondContact O-OG 3.27Å; A877-E881 WeakPolarHBondContact O-CB 3.31Å; A877-E881 PolarHBondContact O-N 2.9Å
878A61.8Low60.6Low31 Ų3180.2 Ų80.226%0.25645%0.452SS..Hα-helixtrans-61.7-42.117700000112.5Q874 I875 S880 E881 L882Q874-A878 WeakPolarHBondContact O-CB 3.22Å; Q874-A878 PolarHBondContact O-N 2.78Å; I875-A878 PolarHBondContact O-N 3.25Å; A878-S880 VanDerWaalsContact C-N 3.3Å; A878-S880 PolarHBondContact O-N 3.17Å; A878-E881 PolarHBondContact O-N 2.84Å; A878-L882 WeakPolarHBondContact O-CB 3.04Å; A878-L882 VanDerWaalsContact O-CG 3.32Å; A878-L882 WeakPolarHBondContact O-CG 3.32Å; A878-L882 PolarHBondContact O-N 3.41Å
879I66.6Low60.3Low10 Ų1083.6 Ų83.65%0.05146%0.462CS..Hα-helixtrans-61.6-38.3172.9-68.7165.6000110.9F853 L856 I875 A877 N883F853-I879 HydrophobicContact CD1-CG1 4.41Å; F853-I879 HydrophobicContact CE1-CD1 4.22Å; F853-I879 HydrophobicContact CE1-CG1 3.79Å; F853-I879 HydrophobicContact CZ-CD1 4.15Å; F853-I879 HydrophobicContact CZ-CG1 4.09Å; L856-I879 HydrophobicContact CB-CD1 4.26Å; I875-I879 HydrophobicContact CG2-CD1 3.78Å; I875-I879 WeakPolarHBondContact O-CG1 3.38Å; I875-I879 PolarHBondContact O-N 3.17Å; A877-I879 PolarHBondContact O-N 3.05Å; I879-N883 WeakPolarHBondContact O-CB 3.22Å; I879-N883 PolarHBondContact O-N 2.98Å; I879-N883 PolarHBondContact O-ND2 2.9Å
880S64.8Low59.9Low72 Ų7286.7 Ų86.750%0.50347%0.467SS..Hα-helixtrans-70.3-34.4176.5800000113L876 A877 A878 N883 A884L876-S880 WeakPolarHBondContact O-CB 3.35Å; L876-S880 PolarHBondContact O-N 3.22Å; A877-S880 CarbonylContact O-C 3.57Å; A877-S880 WeakPolarHBondContact O-CA 3.44Å; A877-S880 PolarHBondContact O-N 2.95Å; A877-S880 VanDerWaalsContact O-N 3.09Å; A877-S880 PolarHBondContact O-OG 3.27Å; A878-S880 VanDerWaalsContact C-N 3.3Å; A878-S880 PolarHBondContact O-N 3.17Å; S880-N883 PolarHBondContact O-N 3.09Å; S880-A884 WeakPolarHBondContact O-CB 3.29Å; S880-A884 PolarHBondContact O-N 3.34Å
881E61Low59.1Low152 Ų15290.6 Ų90.671%0.7148%0.475SS*.Hα-helixtrans-72.1-44.1178-170.7164.8-159.600111.1A877 A878 N883 A884 G885A877-E881 WeakPolarHBondContact O-CB 3.31Å; A877-E881 PolarHBondContact O-N 2.9Å; A878-E881 PolarHBondContact O-N 2.84Å; E881-N883 VanDerWaalsContact C-N 3.33Å; E881-N883 PolarHBondContact O-N 2.99Å; E881-A884 PolarHBondContact O-N 2.94Å; E881-A884 VanDerWaalsContact O-N 3.1Å; E881-G885 PolarHBondContact O-N 2.94Å
882L58.2Low58.9Low114 Ų11493.9 Ų93.960%0.59749%0.489SS*.Hα-helixtrans-58.1-41.8170.4-74.2164.9000112.1L854 A878 A884L854-L882 HydrophobicContact CD2-CB 4.06Å; L854-L882 HydrophobicContact CD2-CD1 4.22Å; A878-L882 WeakPolarHBondContact O-CB 3.04Å; A878-L882 VanDerWaalsContact O-CG 3.32Å; A878-L882 WeakPolarHBondContact O-CG 3.32Å; A878-L882 PolarHBondContact O-N 3.41Å; L882-A884 VanDerWaalsContact C-N 3.34Å
883N58.4Low58Low87 Ų8796.7 Ų96.747%0.46550%0.504SS..Hα-helixtrans-73.1-21.8175.6-84.4-63000113.9L854 I879 S880 E881L854-N883 PolarHBondContact O-ND2 3.27Å; I879-N883 WeakPolarHBondContact O-CB 3.22Å; I879-N883 PolarHBondContact O-N 2.98Å; I879-N883 PolarHBondContact O-ND2 2.9Å; S880-N883 PolarHBondContact O-N 3.09Å; E881-N883 VanDerWaalsContact C-N 3.33Å; E881-N883 PolarHBondContact O-N 2.99Å
884A63.3Low57.4Low73 Ų7396.1 Ų96.160%0.60350%0.501SS*.Hα-helixtrans-93.2-10179.900000114.4S880 E881 L882 K886S880-A884 WeakPolarHBondContact O-CB 3.29Å; S880-A884 PolarHBondContact O-N 3.34Å; E881-A884 PolarHBondContact O-N 2.94Å; E881-A884 VanDerWaalsContact O-N 3.1Å; L882-A884 VanDerWaalsContact C-N 3.34Å; A884-K886 PolarHBondContact O-N 3.41Å
885G49.3Very low56.9Low42 Ų4295.6 Ų95.643%0.43350%0.499SS..  trans-58124.3-175.400000114.7E881 G887E881-G885 PolarHBondContact O-N 2.94Å; G885-G887 PolarHBondContact O-N 3.25Å
886K48.1Very low56.5Low216 Ų21697.7 Ų97.794%0.93951%0.513SS*.  trans-95.391.4-179.6-75.2-177.3178.8173.50113.2A884A884-K886 PolarHBondContact O-N 3.41Å
887G47.1Very low55.8Low51 Ų5197.4 Ų97.453%0.52651%0.511SS..SBendtrans109.4152.2154.800000116.4G885 E889G885-G887 PolarHBondContact O-N 3.25Å; G887-E889 PolarHBondContact O-N 2.96Å
888R48.1Very low55Low212 Ų212101 Ų10180%0.852%0.519SS*.SBendtrans54.4-54.5-178.6-66.3-171.2-176.9175.82.7117.4R890 Q891 I892R888-R890 PolarHBondContact O-N 2.99Å; R888-Q891 WeakPolarHBondContact O-CA 3.43Å; R888-Q891 VanDerWaalsContact O-CB 3.29Å; R888-Q891 WeakPolarHBondContact O-CB 3.38Å; R888-Q891 PolarHBondContact O-N 2.92Å; R888-I892 PolarHBondContact O-N 3.41Å
889E54.6Low54.2Low157 Ų157104.3 Ų104.373%0.73453%0.532SS*.Hα-helixtrans-61.7-43.4-175.7-69167.7177.500111.5G887 Q891 I892 L893G887-E889 PolarHBondContact O-N 2.96Å; E889-Q891 PolarHBondContact O-N 3.33Å; E889-I892 PolarHBondContact O-N 2.9Å; E889-L893 PolarHBondContact O-N 3.23Å
890R53.4Low53.3Low149 Ų149110.3 Ų110.356%0.56256%0.558SS**Hα-helixtrans-60.9-25.1172.2-163175.6-165.3-97.63.4113.8R888 Q894R888-R890 PolarHBondContact O-N 2.99Å; R890-Q894 VanDerWaalsContact O-CG 3.32Å; R890-Q894 WeakPolarHBondContact O-CG 3.08Å; R890-Q894 PolarHBondContact O-N 2.91Å
891Q50.9Low52.3Low124 Ų124113 Ų11358%0.57956%0.563SS**Hα-helixtrans-81.1-41.2177.9-169.6171.1-2.700110.9R888 E889 L893 Q894 E895R888-Q891 WeakPolarHBondContact O-CA 3.43Å; R888-Q891 VanDerWaalsContact O-CB 3.29Å; R888-Q891 WeakPolarHBondContact O-CB 3.38Å; R888-Q891 PolarHBondContact O-N 2.92Å; E889-Q891 PolarHBondContact O-N 3.33Å; Q891-L893 VanDerWaalsContact C-N 3.31Å; Q891-L893 PolarHBondContact O-N 3.04Å; Q891-Q894 PolarHBondContact O-N 3.23Å; Q891-E895 PolarHBondContact O-N 3.01Å
892I55.5Low51.5Low105 Ų105109.3 Ų109.354%0.53855%0.554SS.*Hα-helixtrans-60-43170.7-63.3167.3000110.1R888 E889 Q894 E895 T896R888-I892 PolarHBondContact O-N 3.41Å; E889-I892 PolarHBondContact O-N 2.9Å; I892-Q894 VanDerWaalsContact C-N 3.34Å; I892-Q894 PolarHBondContact O-N 3.48Å; I892-E895 PolarHBondContact O-N 3.39Å; I892-T896 WeakPolarHBondContact O-CB 3.37Å; I892-T896 PolarHBondContact O-N 3.2Å; I892-T896 PolarHBondContact O-OG1 2.76Å
893L51.3Low50.7Low63 Ų63108.4 Ų108.433%0.3356%0.557SS.*Hα-helixtrans-57.2-46.4175.4-152.379.5000111.8M850 L854 E889 Q891 T896 I897M850-L893 HydrophobicContact CE-CD1 3.56Å; M850-L893 HydrophobicContact CE-CG 3.96Å; M850-L893 HydrophobicContact SD-CD1 3.83Å; L854-L893 HydrophobicContact CD1-CD2 4.34Å; E889-L893 PolarHBondContact O-N 3.23Å; Q891-L893 VanDerWaalsContact C-N 3.31Å; Q891-L893 PolarHBondContact O-N 3.04Å; L893-T896 PolarHBondContact O-N 2.65Å; L893-I897 HydrophobicContact CG-CD1 4.34Å; L893-I897 WeakPolarHBondContact O-CD1 3.47Å; L893-I897 VanDerWaalsContact O-CG1 3.29Å; L893-I897 WeakPolarHBondContact O-CG1 3.29Å; L893-I897 PolarHBondContact O-N 3.25Å
894Q52.1Low49.8Very low114 Ų114112.4 Ų112.453%0.53357%0.571SS.*Hα-helixtrans-70.2-35.8179.6-73.2-175.8-52.200113.1R890 Q891 I892 H898R890-Q894 VanDerWaalsContact O-CG 3.32Å; R890-Q894 WeakPolarHBondContact O-CG 3.08Å; R890-Q894 PolarHBondContact O-N 2.91Å; Q891-Q894 PolarHBondContact O-N 3.23Å; I892-Q894 VanDerWaalsContact C-N 3.34Å; I892-Q894 PolarHBondContact O-N 3.48Å; Q894-H898 VanDerWaalsContact O-CB 3.24Å; Q894-H898 WeakPolarHBondContact O-CB 3.42Å; Q894-H898 PolarHBondContact O-N 3.19Å
895E51.9Low48.6Very low119 Ų119112 Ų11256%0.55657%0.574SS**Hα-helixtrans-67.3-38172.4-74.8-175.1117.500112.1Q891 I892 N899Q891-E895 PolarHBondContact O-N 3.01Å; I892-E895 PolarHBondContact O-N 3.39Å; E895-N899 WeakPolarHBondContact O-CB 3.31Å; E895-N899 PolarHBondContact O-N 2.72Å; E895-N899 PolarHBondContact O-ND2 2.9Å
896T54.9Low48.1Very low66 Ų66115 Ų11541%0.40559%0.588SS.*Hα-helixtrans-64.3-48.8175.5-60.20000111.7I892 L893 H898 N899 F900I892-T896 WeakPolarHBondContact O-CB 3.37Å; I892-T896 PolarHBondContact O-N 3.2Å; I892-T896 PolarHBondContact O-OG1 2.76Å; L893-T896 PolarHBondContact O-N 2.65Å; T896-H898 VanDerWaalsContact C-N 3.35Å; T896-H898 PolarHBondContact O-N 2.92Å; T896-N899 PolarHBondContact O-N 3.39Å; T896-F900 HydrophobicContact CG2-CD2 4.17Å; T896-F900 HydrophobicContact CG2-CE2 4.39Å; T896-F900 PolarHBondContact O-N 2.88Å
897I54.4Low47.4Very low37 Ų37110.1 Ų110.119%0.1958%0.581CS.*Hα-helixtrans-59.8-45.2177.3-67.8163.9000110.7M850 L893 N899 F900 Q901M850-I897 HydrophobicContact CE-CD1 4.44Å; M850-I897 HydrophobicContact CE-CG1 4.45Å; L893-I897 HydrophobicContact CG-CD1 4.34Å; L893-I897 WeakPolarHBondContact O-CD1 3.47Å; L893-I897 VanDerWaalsContact O-CG1 3.29Å; L893-I897 WeakPolarHBondContact O-CG1 3.29Å; L893-I897 PolarHBondContact O-N 3.25Å; I897-N899 PolarHBondContact O-N 3.18Å; I897-F900 PolarHBondContact O-N 2.85Å; I897-Q901 WeakPolarHBondContact O-CG 3.24Å; I897-Q901 PolarHBondContact O-N 3.16Å; I897-Q901 VanDerWaalsContact O-N 3.09Å
898H49.1Very low46.7Very low127 Ų127111.8 Ų111.859%0.58859%0.59SS**Hα-helixtrans-63.8-38.8178.8-175.7-86.2000112.7Q894 T896 S902Q894-H898 VanDerWaalsContact O-CB 3.24Å; Q894-H898 WeakPolarHBondContact O-CB 3.42Å; Q894-H898 PolarHBondContact O-N 3.19Å; T896-H898 VanDerWaalsContact C-N 3.35Å; T896-H898 PolarHBondContact O-N 2.92Å; H898-S902 WeakPolarHBondContact O-CB 3.43Å; H898-S902 PolarHBondContact O-N 2.82Å; H898-S902 VanDerWaalsContact O-N 3.16Å
899N45.8Very low45.8Very low100 Ų100107 Ų10754%0.53559%0.589SS.*Hα-helixtrans-70.2-39.2176.6-76.6-29000112.5E895 T896 I897 S902 S903E895-N899 WeakPolarHBondContact O-CB 3.31Å; E895-N899 PolarHBondContact O-N 2.72Å; E895-N899 PolarHBondContact O-ND2 2.9Å; T896-N899 PolarHBondContact O-N 3.39Å; I897-N899 PolarHBondContact O-N 3.18Å; N899-S902 PolarHBondContact O-N 3.32Å; N899-S903 PolarHBondContact O-N 3.48Å; N899-S903 PolarHBondContact O-OG 3.48Å
900F47.6Very low44.6Very low136 Ų136106.6 Ų106.660%0.59659%0.592SS**Hα-helixtrans-59.4-49174.1-103.6-96.2000112.1T896 I897 S902 S903T896-F900 HydrophobicContact CG2-CD2 4.17Å; T896-F900 HydrophobicContact CG2-CE2 4.39Å; T896-F900 PolarHBondContact O-N 2.88Å; I897-F900 PolarHBondContact O-N 2.85Å; F900-S902 VanDerWaalsContact C-N 3.29Å; F900-S902 PolarHBondContact O-N 3.13Å; F900-S903 PolarHBondContact O-N 3Å
901Q44.1Very low43.8Very low130 Ų130104.7 Ų104.761%0.60760%0.599SS**Hα-helixtrans-63-35.4179.4-68.9176.32.800112.3I897 G905I897-Q901 WeakPolarHBondContact O-CG 3.24Å; I897-Q901 PolarHBondContact O-N 3.16Å; I897-Q901 VanDerWaalsContact O-N 3.09Å; Q901-G905 PolarHBondContact O-N 3.07Å
902S43.8Very low42.8Very low74 Ų74109.7 Ų109.752%0.51761%0.613SS.*Hα-helixtrans-65.4-36.3176.5-165.10000113H898 N899 F900H898-S902 WeakPolarHBondContact O-CB 3.43Å; H898-S902 PolarHBondContact O-N 2.82Å; H898-S902 VanDerWaalsContact O-N 3.16Å; N899-S902 PolarHBondContact O-N 3.32Å; F900-S902 VanDerWaalsContact C-N 3.29Å; F900-S902 PolarHBondContact O-N 3.13Å
903S40.8Very low41.7Very low95 Ų95110 Ų11066%0.66462%0.622SS**Hα-helixtrans-69.1-36.2-179.1-65.60000113.9N899 F900N899-S903 PolarHBondContact O-N 3.48Å; N899-S903 PolarHBondContact O-OG 3.48Å; F900-S903 PolarHBondContact O-N 3Å
904F39.2Very low40.8Very low170 Ų170113.2 Ų113.275%0.74665%0.646SS**Hα-helixtrans-80.9-24.7177.9-80.2-87000113.7S906F904-S906 PolarHBondContact O-N 3.02Å; F904-S906 VanDerWaalsContact O-N 3.07Å
905G39.8Very low39.8Very low65 Ų65111.6 Ų111.667%0.6766%0.66SS**THydrogen-bonded Turntrans-67.3-6.6-175.500000116.7Q901Q901-G905 PolarHBondContact O-N 3.07Å
906S37Very low38.7Very low104 Ų104115.5 Ų115.573%0.72768%0.678SS**THydrogen-bonded Turntrans-97.2-1-171-65.70000116F904F904-S906 PolarHBondContact O-N 3.02Å; F904-S906 VanDerWaalsContact O-N 3.07Å
907S35.2Very low37.4Very low115 Ų115117.7 Ų117.780%0.80470%0.696SS**SBendtrans-135.931.6-170.2-68.30000116.7
908A31.4Very low36.1Very low85 Ų85127.7 Ų127.770%0.70273%0.732SS**SBendtrans-150.3127.6165.400000115.1
909S30.1Very low35.1Very low113 Ų113127 Ų12779%0.7974%0.741SS**  trans29.9120.5152.358.60000121.3
910N28.9Very low35Very low147 Ų147127.6 Ų127.679%0.78675%0.75SS**  trans-111117.1166.7178.7-8.3000111.4
911P35.6Very low34.1Very low110 Ų110127.1 Ų127.171%0.71476%0.758SS**  trans-121.3139.6151.935.1-24.9000112.3
912R30.2Very low33.3Very low229 Ų229126.7 Ų126.786%0.86477%0.765SS**PPolyproline II helixtrans-77.1140.5-177.8-70.3177172.3169.9-3.5113.1
913P32.7Very low32.5Very low112 Ų112133.8 Ų133.873%0.72778%0.781SS**PPolyproline II helixtrans-79.2159.7162.934.3-34.9000112.2
914P32.3Very low31.9Very low130 Ų130136.7 Ų136.784%0.84479%0.786SS**PPolyproline II helixtrans-74.1129170.930.4-33.4000111.3
915G31.5Very low31.3Very low80 Ų80139 Ų13983%0.82579%0.789SS**PPolyproline II helixtrans-79.6136.9179.900000113.5
916Q29Very low30.8Very low200 Ų200143.2 Ų143.294%0.93579%0.791SS**PPolyproline II helixtrans-71.9145.8167.5-66.7-179.3-3.500111.2
917S27.1Very low30.5Very low112 Ų112145.6 Ų145.678%0.78379%0.791SS**PPolyproline II helixtrans-85.3123.5174.8580000112.4
918R26.1Very low30.2Very low248 Ų248145.8 Ų145.894%0.93679%0.787SS**  trans-169.7169.7149.3-115.5169.5-173.5-154-0.3115.2
919S29.6Very low30Very low112 Ų112152.7 Ų152.778%0.78380%0.795SS**  trans87.2154.5177.683.60000115.9
920P43.8Very low30.1Very low113 Ų113152.2 Ų152.273%0.73479%0.792SS**  cis-120.9149.22.637.1-22.1000116.9
921T28.3Very low30.2Very low125 Ų125151 Ų15177%0.76779%0.794SS**  trans19.2124.7135.7-41.50000120.5
922T26.3Very low30Very low122 Ų122150.4 Ų150.475%0.74879%0.793SS**  -175.5135.311923.30000115.8
923W28.4Very low30.3Very low222 Ų222148.8 Ų148.884%0.84179%0.792SS**  trans79.9144.4139.3-79.230.7000124.7
924M27.9Very low30.4Very low157 Ų157158.4 Ų158.477%0.77381%0.814SS**  trans60.997.1157.1-65.7-164.8173.900122.9
925R26.6Very low30.3Very low218 Ų218159.8 Ų159.882%0.82381%0.812SS**  13117.2119.4179-163.5-75.3-165.9-2.2116.5
926H29.1Very low30.2Very low153 Ų153164 Ų16471%0.70881%0.812SS**  -163.3157.7113.8-112-81.6000115.5
927Q29.6Very low30.3Very low154 Ų154162 Ų16272%0.7281%0.805SS**  trans-52.8148.2-175.6-76.9165-56.100120.6
928V29.2Very low30.5Very low120 Ų120164.9 Ų164.973%0.72781%0.806SS**  84.2119123169.50000122.6
929R28.3Very low30.8Very low230 Ų230159.8 Ų159.887%0.86880%0.798SS**  trans67.2126.9142.6-83.9-178.1172.8-176.8-2.2124
930S31Very low30.8Very low103 Ų103162.9 Ų162.972%0.7280%0.799SS**  70.4118.4127.770.70000121.6
931S32.6Very low29.9Very low120 Ų120166.5 Ų166.584%0.83980%0.804SS**  trans-44.7133.9150.352.70000115.1
932S31.7Very low30Very low98 Ų98169.7 Ų169.769%0.68581%0.807SS**  trans-162.1128.8146.5176.70000109.8
933K35.5Very low30.3Very low195 Ų195173.7 Ų173.785%0.84881%0.811SS**  trans35.5134150.6-60.8170.3-176.8174.20118.2
934R34.5Very low30.5Very low314 Ų314169.3 Ų169.3100%1.18581%0.809SS**  cis-155.8047.6-160.3-178.6-155167.95.5112.8

Retrieved 934 of 934 residues in 994.8 ms (Link to these results)

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