A0A077YZH3_TRITR Loading...

glycine dehydrogenase (aminomethyl-transferring)

AlphaFold DB , UniProt , Accession A0A077YZH3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 472 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
1M91.7Very high96.8Very high206 Ų206124.5 Ų124.5100%1.01560%0.596SS**  0-54.70-70.2-176-77.400111.5M3 R4 Y5M1-M3 PolarHBondContact O-N 3.38Å; M1-R4 PolarHBondContact O-N 2.8Å; M1-R4 VanDerWaalsContact O-N 3.08Å; M1-Y5 PolarHBondContact O-N 2.88Å; M1-Y5 VanDerWaalsContact O-N 3.11Å
2F97.5Very high96.8Very high147 Ų147123 Ų12365%0.64559%0.585SS**Hα-helixtrans-49.4-51.7179.7-178-111.3000114.9R4 Y5 V6F2-R4 PolarHBondContact O-N 3.25Å; F2-Y5 WeakPolarHBondContact O-CA 3.36Å; F2-Y5 WeakPolarHBondContact O-CB 3.37Å; F2-Y5 PolarHBondContact O-N 3.44Å; F2-V6 HydrophobicContact CD1-CG2 4.2Å; F2-V6 HydrophobicContact CD2-CG2 4.17Å; F2-V6 HydrophobicContact CE1-CG2 3.76Å; F2-V6 HydrophobicContact CE2-CG2 3.73Å; F2-V6 HydrophobicContact CG-CG2 4.4Å; F2-V6 HydrophobicContact CZ-CG2 3.51Å; F2-V6 PolarHBondContact O-N 2.84Å
3M98Very high96.8Very high143 Ų143122.2 Ų122.270%0.70459%0.586SS**Hα-helixtrans-58.9-34.6-179.9-63.3-53.1-65.700113.7M1 K7M1-M3 PolarHBondContact O-N 3.38Å; M3-K7 WeakPolarHBondContact O-CB 3.26Å; M3-K7 PolarHBondContact O-N 2.93Å
4R98Very high96.8Very high209 Ų209116.9 Ų116.979%0.78957%0.565SS**Hα-helixtrans-70.2-40.1175.4-68.4-178.8-179.6162.2-1.1111.1M1 F2 K7 Q8M1-R4 PolarHBondContact O-N 2.8Å; M1-R4 VanDerWaalsContact O-N 3.08Å; F2-R4 PolarHBondContact O-N 3.25Å; R4-K7 PolarHBondContact O-N 3.48Å; R4-Q8 VanDerWaalsContact O-CB 3.31Å; R4-Q8 WeakPolarHBondContact O-CB 3.41Å; R4-Q8 PolarHBondContact O-N 3.28Å
5Y98Very high96.9Very high130 Ų130112.1 Ų112.151%0.5155%0.548SS..Hα-helixtrans-62.5-49.2176178.8-114.6000111.7M1 F2 K7 Q8 L9M1-Y5 PolarHBondContact O-N 2.88Å; M1-Y5 VanDerWaalsContact O-N 3.11Å; F2-Y5 WeakPolarHBondContact O-CA 3.36Å; F2-Y5 WeakPolarHBondContact O-CB 3.37Å; F2-Y5 PolarHBondContact O-N 3.44Å; Y5-K7 VanDerWaalsContact C-N 3.31Å; Y5-K7 PolarHBondContact O-N 2.72Å; Y5-Q8 WeakPolarHBondContact O-CB 3.31Å; Y5-Q8 PolarHBondContact O-N 3.44Å; Y5-Q8 VanDerWaalsContact O-N 3.12Å; Y5-L9 HydrophobicContact CD1-CD1 4.21Å; Y5-L9 HydrophobicContact CD2-CG 4.48Å; Y5-L9 HydrophobicContact CE1-CD1 3.62Å; Y5-L9 HydrophobicContact CE1-CG 4.37Å; Y5-L9 HydrophobicContact CE2-CD1 4.17Å; Y5-L9 HydrophobicContact CE2-CD2 4.13Å; Y5-L9 HydrophobicContact CE2-CG 4.12Å; Y5-L9 WeakPolarHBondContact O-CG 3.44Å; Y5-L9 PolarHBondContact O-N 3.42Å
6V98.2Very high97Very high61 Ų61108.7 Ų108.737%0.3753%0.533SS..Hα-helixtrans-56.9-46.1175.3174.50000110.8F2 Q8 L9 Q10F2-V6 HydrophobicContact CD1-CG2 4.2Å; F2-V6 HydrophobicContact CD2-CG2 4.17Å; F2-V6 HydrophobicContact CE1-CG2 3.76Å; F2-V6 HydrophobicContact CE2-CG2 3.73Å; F2-V6 HydrophobicContact CG-CG2 4.4Å; F2-V6 HydrophobicContact CZ-CG2 3.51Å; F2-V6 PolarHBondContact O-N 2.84Å; V6-Q8 VanDerWaalsContact C-N 3.32Å; V6-Q8 PolarHBondContact O-N 3.47Å; V6-L9 PolarHBondContact O-N 3.37Å; V6-Q10 WeakPolarHBondContact O-CB 3.46Å; V6-Q10 PolarHBondContact O-N 3.04Å
7K97.7Very high96.9Very high128 Ų128108.4 Ų108.456%0.55754%0.538SS*.Hα-helixtrans-65.5-35.8178.7-174.156.1179.7173.90112.8M3 R4 Y5 G11M3-K7 WeakPolarHBondContact O-CB 3.26Å; M3-K7 PolarHBondContact O-N 2.93Å; R4-K7 PolarHBondContact O-N 3.48Å; Y5-K7 VanDerWaalsContact C-N 3.31Å; Y5-K7 PolarHBondContact O-N 2.72Å; K7-G11 PolarHBondContact O-N 2.96Å
8Q96.8Very high96.9Very high121 Ų121105.8 Ų105.857%0.56553%0.527SS*.Hα-helixtrans-66.3-40.2176.6-175.9-176.711.200111.8R4 Y5 V6R4-Q8 VanDerWaalsContact O-CB 3.31Å; R4-Q8 WeakPolarHBondContact O-CB 3.41Å; R4-Q8 PolarHBondContact O-N 3.28Å; Y5-Q8 WeakPolarHBondContact O-CB 3.31Å; Y5-Q8 PolarHBondContact O-N 3.44Å; Y5-Q8 VanDerWaalsContact O-N 3.12Å; V6-Q8 VanDerWaalsContact C-N 3.32Å; V6-Q8 PolarHBondContact O-N 3.47Å
9L97.5Very high96.9Very high69 Ų69100.9 Ų100.936%0.36150%0.504SS..Hα-helixtrans-66-51.2174-66.1-176.6000110.8Y5 V6 G11 K12Y5-L9 HydrophobicContact CD1-CD1 4.21Å; Y5-L9 HydrophobicContact CD2-CG 4.48Å; Y5-L9 HydrophobicContact CE1-CD1 3.62Å; Y5-L9 HydrophobicContact CE1-CG 4.37Å; Y5-L9 HydrophobicContact CE2-CD1 4.17Å; Y5-L9 HydrophobicContact CE2-CD2 4.13Å; Y5-L9 HydrophobicContact CE2-CG 4.12Å; Y5-L9 WeakPolarHBondContact O-CG 3.44Å; Y5-L9 PolarHBondContact O-N 3.42Å; V6-L9 PolarHBondContact O-N 3.37Å; L9-G11 PolarHBondContact O-N 3.08Å; L9-G11 VanDerWaalsContact O-N 3.17Å; L9-K12 WeakPolarHBondContact O-CB 3.4Å; L9-K12 PolarHBondContact O-N 3.33Å
10Q96.9Very high96.9Very high101 Ų10196.2 Ų96.247%0.47248%0.481SS..Hα-helixtrans-54-39.4177.6-171.9-16721.100112.1V6 K12 D13V6-Q10 WeakPolarHBondContact O-CB 3.46Å; V6-Q10 PolarHBondContact O-N 3.04Å; Q10-K12 PolarHBondContact O-N 2.99Å; Q10-K12 VanDerWaalsContact O-N 3.13Å; Q10-D13 PolarHBondContact O-N 3.11Å
11G94.2Very high97Very high55 Ų5592.2 Ų92.257%0.56746%0.461SS*.THydrogen-bonded Turntrans-68.1-5.6-179.900000115.5K7 L9K7-G11 PolarHBondContact O-N 2.96Å; L9-G11 PolarHBondContact O-N 3.08Å; L9-G11 VanDerWaalsContact O-N 3.17Å
12K96.5Very high97.3Very high106 Ų10682.5 Ų82.546%0.46141%0.414SS..THydrogen-bonded Turntrans-96.1-16.7175.5-64.8177.4-178.5-178.10113.2L9 Q10 A450L9-K12 WeakPolarHBondContact O-CB 3.4Å; L9-K12 PolarHBondContact O-N 3.33Å; Q10-K12 PolarHBondContact O-N 2.99Å; Q10-K12 VanDerWaalsContact O-N 3.13Å; K12-A450 HydrophobicContact CB-CB 3.95Å; K12-A450 HydrophobicContact CD-CB 4.28Å; K12-A450 HydrophobicContact CG-CB 3.94Å
13D97.7Very high97.4Very high112 Ų11277.1 Ų77.160%0.59939%0.392SS*.SBendtrans-106.8120.7-170.7-63.9-5.8000109.7Q10Q10-D13 PolarHBondContact O-N 3.11Å
14V96.8Very high97.4Very high48 Ų4870.4 Ų70.429%0.29136%0.359SS..  trans-67.9133.4168.7156.20000109I21 H358 V447V14-I21 HydrophobicContact CG1-CD1 4.22Å; V14-I21 HydrophobicContact CG1-CG1 4.47Å; V14-H358 HydrophobicContact CG1-CB 4.06Å; V14-V447 HydrophobicContact CG2-CB 4.24Å; V14-V447 HydrophobicContact CG2-CG1 3.58Å
15S97.9Very high97.4Very high45 Ų4560.7 Ų60.732%0.31532%0.323SS..  trans-138.6-179.417669.60000111.7V17 D18 S19S15-V17 PolarHBondContact O-N 2.71Å; S15-V17 VanDerWaalsContact OG-CG2 3.29Å; S15-V17 WeakPolarHBondContact OG-CG2 3.47Å; S15-V17 PolarHBondContact OG-N 3.17Å; S15-D18 PolarHBondContact N-OD2 3.19Å; S15-D18 WeakPolarHBondContact O-CB 3.47Å; S15-D18 PolarHBondContact O-N 2.93Å; S15-S19 PolarHBondContact O-N 3.23Å
16L97.9Very high97.4Very high58 Ų5856.3 Ų56.330%0.30431%0.311SS..THydrogen-bonded Turntrans-62.8-7176.7-64.8178.3000114.2D18 I21 M28L16-D18 VanDerWaalsContact C-N 3.3Å; L16-I21 HydrophobicContact CD2-CB 3.98Å; L16-I21 HydrophobicContact CD2-CD1 4.27Å; L16-I21 HydrophobicContact CD2-CG1 4.01Å; L16-M28 HydrophobicContact CD1-CE 4.35Å; L16-M28 HydrophobicContact CD2-CB 4.22Å; L16-M28 HydrophobicContact CG-CE 4.46Å
17V96.9Very high97.4Very high103 Ų10353.4 Ų53.462%0.62429%0.293SS*.THydrogen-bonded Turntrans-79.9-16.3171.2-47.10000112.7S15S15-V17 PolarHBondContact O-N 2.71Å; S15-V17 VanDerWaalsContact OG-CG2 3.29Å; S15-V17 WeakPolarHBondContact OG-CG2 3.47Å; S15-V17 PolarHBondContact OG-N 3.17Å
18D96Very high97.5Very high62 Ų6248.2 Ų48.233%0.33227%0.271SS..THydrogen-bonded Turntrans-100.5-51-174.6-57.3-64000111.7S15 L16 V447S15-D18 PolarHBondContact N-OD2 3.19Å; S15-D18 WeakPolarHBondContact O-CB 3.47Å; S15-D18 PolarHBondContact O-N 2.93Å; L16-D18 VanDerWaalsContact C-N 3.3Å; D18-V447 HydrophobicContact CB-CG2 4.04Å
19S96.9Very high97.6Very high13 Ų1342.5 Ų42.59%0.09124%0.244CC..SBendtrans-160.7169.8-179.271.10000111S15 G356 E382S15-S19 PolarHBondContact O-N 3.23Å; S19-G356 PolarHBondContact OG-O 2.94Å; S19-E382 VanDerWaalsContact CA-OE1 3.3Å; S19-E382 WeakPolarHBondContact CA-OE1 3.5Å; S19-E382 WeakPolarHBondContact CB-OE1 3Å
20A97.4Very high97.6Very high6 Ų644 Ų445%0.0525%0.252CS..  trans-53.4140.4164.300000110.5E378 E382A20-E378 WeakPolarHBondContact CA-OE1 3.43Å; A20-E378 VanDerWaalsContact CB-CD 3.49Å; A20-E378 HydrophobicContact CB-CG 3.81Å; A20-E382 HydrophobicContact CB-CG 4.16Å; A20-E382 WeakPolarHBondContact CB-OE1 3.2Å; A20-E382 PolarHBondContact N-OE1 3.24Å
21I98.7Very high97.7Very high13 Ų1340.9 Ų40.97%0.06724%0.239CC..  trans-118.391.8173.6-63-179000107.1V14 L16 L23 M28 H358V14-I21 HydrophobicContact CG1-CD1 4.22Å; V14-I21 HydrophobicContact CG1-CG1 4.47Å; L16-I21 HydrophobicContact CD2-CB 3.98Å; L16-I21 HydrophobicContact CD2-CD1 4.27Å; L16-I21 HydrophobicContact CD2-CG1 4.01Å; I21-L23 HydrophobicContact CG2-CD1 3.61Å; I21-L23 HydrophobicContact CG2-CG 3.74Å; I21-L23 PolarHBondContact O-N 3.06Å; I21-M28 HydrophobicContact CB-CB 4.34Å; I21-M28 HydrophobicContact CB-CE 4.49Å; I21-M28 HydrophobicContact CB-CG 4.19Å; I21-M28 HydrophobicContact CG2-CE 4.34Å; I21-M28 HydrophobicContact CG2-CG 3.98Å; I21-M28 WeakPolarHBondContact O-CB 3.21Å; I21-M28 WeakPolarHBondContact O-CG 3.43Å; I21-H358 HydrophobicContact CB-CB 4.34Å; I21-H358 HydrophobicContact CD1-CB 4.39Å; I21-H358 HydrophobicContact CG1-CB 3.88Å; I21-H358 HydrophobicContact CG2-CB 3.95Å
22P98.4Very high97.9Very high2 Ų239.6 Ų39.61%0.01322%0.221CC..  trans-84.142.9-165.338.2-43.7000113.1G24 P360 I372 E373 M386P22-G24 PolarHBondContact O-N 3.39Å; P22-G24 VanDerWaalsContact O-N 3.15Å; P22-P360 HydrophobicContact CG-CB 4.25Å; P22-P360 HydrophobicContact CG-CG 3.92Å; P22-I372 HydrophobicContact CB-CG2 4.26Å; P22-E373 CarbonylContact C-O 3.56Å; P22-E373 VanDerWaalsContact CA-O 3.32Å; P22-E373 WeakPolarHBondContact CA-O 3.48Å; P22-E373 PolarHBondContact O-N 2.86Å; P22-M386 HydrophobicContact CB-CE 3.57Å; P22-M386 HydrophobicContact CB-SD 3.5Å; P22-M386 VanDerWaalsContact CB-SD 3.5Å; P22-M386 HydrophobicContact CG-CE 3.26Å; P22-M386 HydrophobicContact CG-SD 3.43Å; P22-M386 WeakPolarHBondContact CG-SD 3.17Å
23L98.8Very high98Very high35 Ų3538 Ų3818%0.18323%0.228CC..BIsolated β-bridgetrans-69.4108.5-176.7-74.4169000110.5I21 C26 M28 A359I21-L23 HydrophobicContact CG2-CD1 3.61Å; I21-L23 HydrophobicContact CG2-CG 3.74Å; I21-L23 PolarHBondContact O-N 3.06Å; L23-C26 HydrophobicContact CB-CB 3.66Å; L23-C26 WeakPolarHBondContact O-CB 3.11Å; L23-C26 PolarHBondContact O-N 3.26Å; L23-C26 VanDerWaalsContact O-N 3.14Å; L23-M28 HydrophobicContact CB-CG 4.11Å; L23-M28 HydrophobicContact CD1-CG 4.37Å; L23-M28 HydrophobicContact CD1-SD 4.25Å; L23-A359 WeakPolarHBondContact CD2-O 3.33Å
24G98.3Very high98Very high1 Ų137.6 Ų37.61%0.0122%0.224CC..THydrogen-bonded Turntrans-52.6139169.200000112.6P22 C26 E329 T361 M371P22-G24 PolarHBondContact O-N 3.39Å; P22-G24 VanDerWaalsContact O-N 3.15Å; G24-C26 PolarHBondContact O-N 3.13Å; G24-E329 WeakPolarHBondContact CA-OE2 3.44Å; G24-T361 PolarHBondContact N-OG1 3.49Å; G24-T361 VanDerWaalsContact N-OG1 3.1Å; G24-T361 PolarHBondContact O-OG1 2.53Å; G24-M371 PolarHBondContact N-O 3.43Å; G24-M371 VanDerWaalsContact N-O 3.13Å; G24-M371 WeakPolarHBondContact O-CE 3.48Å
25S97.5Very high98Very high6 Ų635.8 Ų35.84%0.04221%0.213CC..THydrogen-bonded Turntrans6317.1-175.2-157.70000114.3K222 E329 E373S25-K222 WeakPolarHBondContact O-CD 3.4Å; S25-K222 WeakPolarHBondContact O-CE 3.46Å; S25-K222 PolarHBondContact O-NZ 3.25Å; S25-E329 PolarHBondContact N-OE2 3.12Å; S25-E373 PolarHBondContact N-OE2 3.19Å; S25-E373 VanDerWaalsContact N-OE2 3.14Å
26C98.5Very high98Very high37 Ų3736.6 Ų36.625%0.2521%0.213CC..THydrogen-bonded Turntrans-116.2-22.4178.2-65.20000113.7L23 G24 M28 K222 H228 E373L23-C26 HydrophobicContact CB-CB 3.66Å; L23-C26 WeakPolarHBondContact O-CB 3.11Å; L23-C26 PolarHBondContact O-N 3.26Å; L23-C26 VanDerWaalsContact O-N 3.14Å; G24-C26 PolarHBondContact O-N 3.13Å; C26-M28 HydrophobicContact CB-CG 4.15Å; C26-M28 HydrophobicContact CB-SD 3.94Å; C26-K222 VanDerWaalsContact O-CG 3.32Å; C26-K222 WeakPolarHBondContact O-CG 3.48Å; C26-H228 PolarHBondContact O-NE2 3.3Å; C26-E373 PolarHBondContact N-OE2 3.19Å; C26-E373 VanDerWaalsContact N-OE2 3.12Å
27T98.7Very high98.1Very high0 Ų037.1 Ų37.10%022%0.219CC..  trans47.565.6-177.1-43.60000112.6K29 N200 H228 E373 T375T27-K29 HydrophobicContact CG2-CB 4.37Å; T27-K29 HydrophobicContact CG2-CD 4.37Å; T27-K29 HydrophobicContact CG2-CG 4.28Å; T27-K29 PolarHBondContact O-N 2.97Å; T27-N200 HydrophobicContact CG2-CB 3.9Å; T27-N200 WeakPolarHBondContact CG2-ND2 3.43Å; T27-H228 PolarHBondContact O-CE1 3.36Å; T27-E373 VanDerWaalsContact CA-CD 3.48Å; T27-E373 WeakPolarHBondContact CA-OE1 3.4Å; T27-E373 WeakPolarHBondContact CB-OE1 3.49Å; T27-E373 WeakPolarHBondContact CG2-OE1 3.3Å; T27-E373 VanDerWaalsContact N-CD 3.33Å; T27-E373 PolarHBondContact N-OE1 2.9Å; T27-E373 PolarHBondContact N-OE2 3.4Å; T27-E373 PolarHBondContact OG1-OE1 3.31Å; T27-T375 HydrophobicContact CG2-CG2 3.95Å
28M98.7Very high98.1Very high19 Ų1932.4 Ų32.49%0.09419%0.19CC..  trans-74.157179.8-58.4-60.7-54.600112.6L16 I21 L23 C26 H228L16-M28 HydrophobicContact CD1-CE 4.35Å; L16-M28 HydrophobicContact CD2-CB 4.22Å; L16-M28 HydrophobicContact CG-CE 4.46Å; I21-M28 HydrophobicContact CB-CB 4.34Å; I21-M28 HydrophobicContact CB-CE 4.49Å; I21-M28 HydrophobicContact CB-CG 4.19Å; I21-M28 HydrophobicContact CG2-CE 4.34Å; I21-M28 HydrophobicContact CG2-CG 3.98Å; I21-M28 WeakPolarHBondContact O-CB 3.21Å; I21-M28 WeakPolarHBondContact O-CG 3.43Å; L23-M28 HydrophobicContact CB-CG 4.11Å; L23-M28 HydrophobicContact CD1-CG 4.37Å; L23-M28 HydrophobicContact CD1-SD 4.25Å; C26-M28 HydrophobicContact CB-CG 4.15Å; C26-M28 HydrophobicContact CB-SD 3.94Å; M28-H228 HydrophobicContact CE-CB 4.19Å; M28-H228 PolarHBondContact SD-CD2 3.15Å; M28-H228 VanDerWaalsContact SD-CE1 3.53Å; M28-H228 PolarHBondContact SD-NE2 2.68Å
29K98.8Very high98.2Very high1 Ų131 Ų310%0.00419%0.185CC..  trans-82.1174.9-178.168.1170.164-166.20112.3T27 N31 N200 T223 C225 Y284 T375 E376T27-K29 HydrophobicContact CG2-CB 4.37Å; T27-K29 HydrophobicContact CG2-CD 4.37Å; T27-K29 HydrophobicContact CG2-CG 4.28Å; T27-K29 PolarHBondContact O-N 2.97Å; K29-N31 PolarHBondContact O-N 2.95Å; K29-N200 WeakPolarHBondContact CE-OD1 3.43Å; K29-N200 PolarHBondContact NZ-OD1 2.93Å; K29-T223 VanDerWaalsContact CE-O 3.31Å; K29-T223 WeakPolarHBondContact CE-O 3.04Å; K29-T223 PolarHBondContact NZ-O 3.29Å; K29-C225 WeakPolarHBondContact CD-SG 3.31Å; K29-Y284 PolarHBondContact NZ-OH 3.09Å; K29-T375 HydrophobicContact CB-CG2 4.2Å; K29-E376 VanDerWaalsContact CE-OE1 3.23Å; K29-E376 WeakPolarHBondContact CE-OE1 3.34Å; K29-E376 IonicContact NZ-OE1 3.98Å; K29-E376 PolarHBondContact NZ-OE1 3.11Å; K29-E376 IonicContact NZ-OE2 2.92Å
30L98.7Very high98.2Very high102 Ų10234.6 Ų34.653%0.53421%0.211SC..  trans-57.4125.3177.5176.864.3000112.7S377L30-S377 WeakPolarHBondContact CB-OG 3.42Å; L30-S377 PolarHBondContact N-OG 3.27Å
31N98.4Very high98.2Very high35 Ų3540 Ų4019%0.18723%0.23CC..  trans-97.991.6163.4-43.5113000108.6K29 L36 C225 P227K29-N31 PolarHBondContact O-N 2.95Å; N31-L36 HydrophobicContact CB-CD1 4.26Å; N31-C225 PolarHBondContact ND2-O 3.2Å; N31-P227 HydrophobicContact CB-CB 4.27Å; N31-P227 WeakPolarHBondContact ND2-CA 3.48Å
32S98.1Very high98.2Very high28 Ų2842.9 Ų42.920%0.19625%0.249CC..  trans-71.6142.6-168.3-178.50000112.5I34 Q35 L36S32-I34 PolarHBondContact O-N 3.46Å; S32-I34 WeakPolarHBondContact OG-CG1 3.5Å; S32-Q35 VanDerWaalsContact CB-CD 3.47Å; S32-Q35 WeakPolarHBondContact O-CA 3.43Å; S32-Q35 WeakPolarHBondContact O-CB 3.36Å; S32-Q35 PolarHBondContact O-N 2.87Å; S32-L36 WeakPolarHBondContact O-CG 3.46Å; S32-L36 PolarHBondContact O-N 3.12Å; S32-L36 VanDerWaalsContact O-N 3.07Å
33A98.1Very high98.2Very high73 Ų7349.1 Ų49.160%0.60328%0.278SS*.Hα-helixtrans-54.2-39.3178.400000112.7Q35 L36 T37A33-Q35 VanDerWaalsContact C-N 3.29Å; A33-Q35 PolarHBondContact O-N 2.77Å; A33-L36 PolarHBondContact O-N 2.89Å; A33-T37 PolarHBondContact O-N 3.35Å; A33-T37 PolarHBondContact O-OG1 3.25Å
34I97.8Very high98.1Very high102 Ų10249.2 Ų49.252%0.52328%0.277SS..Hα-helixtrans-66.9-29.9177.660.6158.8000112.7S32 P38 I283S32-I34 PolarHBondContact O-N 3.46Å; S32-I34 WeakPolarHBondContact OG-CG1 3.5Å; I34-P38 WeakPolarHBondContact O-CD 3.42Å; I34-I283 HydrophobicContact CD1-CG2 4.07Å; I34-I283 HydrophobicContact CG1-CG2 4.28Å; I34-I283 VanDerWaalsContact O-CD1 3.23Å; I34-I283 WeakPolarHBondContact O-CD1 3.38Å
35Q98.3Very high98Very high11 Ų1151.7 Ų51.75%0.05129%0.294CS..Hα-helixtrans-76.2-35.6177.7-61.7159.5-6.300110.7S32 A33 P38 C225 V280 I283S32-Q35 VanDerWaalsContact CB-CD 3.47Å; S32-Q35 WeakPolarHBondContact O-CA 3.43Å; S32-Q35 WeakPolarHBondContact O-CB 3.36Å; S32-Q35 PolarHBondContact O-N 2.87Å; A33-Q35 VanDerWaalsContact C-N 3.29Å; A33-Q35 PolarHBondContact O-N 2.77Å; Q35-P38 WeakPolarHBondContact O-CD 3.5Å; Q35-C225 VanDerWaalsContact OE1-CB 3.32Å; Q35-V280 HydrophobicContact CB-CB 4.49Å; Q35-V280 HydrophobicContact CB-CG1 3.87Å; Q35-V280 WeakPolarHBondContact O-CG2 3.12Å; Q35-I283 HydrophobicContact CB-CB 4.44Å; Q35-I283 HydrophobicContact CB-CG2 4.34Å; Q35-I283 HydrophobicContact CG-CB 4.11Å; Q35-I283 HydrophobicContact CG-CG2 3.72Å
36L98.1Very high98Very high61 Ų6157.4 Ų57.432%0.31932%0.324SS..Hα-helixtrans-80.8-29.6-177.7-62.5176.8000113.8N31 S32 A33 P38 C39 P227 V280N31-L36 HydrophobicContact CB-CD1 4.26Å; S32-L36 WeakPolarHBondContact O-CG 3.46Å; S32-L36 PolarHBondContact O-N 3.12Å; S32-L36 VanDerWaalsContact O-N 3.07Å; A33-L36 PolarHBondContact O-N 2.89Å; L36-P38 VanDerWaalsContact C-CD 3.49Å; L36-C39 WeakPolarHBondContact O-CB 3.31Å; L36-C39 PolarHBondContact O-N 3.04Å; L36-C39 VanDerWaalsContact O-N 3.15Å; L36-P227 HydrophobicContact CD2-CB 4.47Å; L36-P227 HydrophobicContact CD2-CG 3.79Å; L36-V280 HydrophobicContact CD2-CG2 4.15Å
37T98.1Very high97.9Very high70 Ų7058.7 Ų58.743%0.42933%0.328SS..G310 helixtrans-52.1-46.9-173.9-64.40000113.5A33 C39 S40 W41A33-T37 PolarHBondContact O-N 3.35Å; A33-T37 PolarHBondContact O-OG1 3.25Å; T37-C39 VanDerWaalsContact C-N 3.25Å; T37-C39 PolarHBondContact O-N 2.56Å; T37-S40 PolarHBondContact O-N 3.32Å; T37-S40 PolarHBondContact O-OG 3.35Å; T37-W41 HydrophobicContact CG2-CZ2 4.2Å
38P97.9Very high97.8Very high3 Ų364.2 Ų64.22%0.01935%0.354CS..G310 helixtrans-66.3-20.5-177.1-17.829.5000115.4I34 Q35 L36 S40 W41 F44 P279 I283I34-P38 WeakPolarHBondContact O-CD 3.42Å; Q35-P38 WeakPolarHBondContact O-CD 3.5Å; L36-P38 VanDerWaalsContact C-CD 3.49Å; P38-S40 PolarHBondContact O-N 3.05Å; P38-W41 HydrophobicContact CB-CD2 3.87Å; P38-W41 HydrophobicContact CB-CE3 3.77Å; P38-W41 HydrophobicContact CB-CG 4.45Å; P38-W41 HydrophobicContact CB-CH2 4.23Å; P38-W41 HydrophobicContact CB-CZ2 4.32Å; P38-W41 HydrophobicContact CB-CZ3 3.96Å; P38-W41 HydrophobicContact CG-CE3 4.44Å; P38-W41 HydrophobicContact CG-CH2 4Å; P38-W41 HydrophobicContact CG-CZ2 4.1Å; P38-W41 HydrophobicContact CG-CZ3 4.18Å; P38-W41 WeakPolarHBondContact O-CB 3.41Å; P38-W41 PolarHBondContact O-N 3.26Å; P38-F44 HydrophobicContact CB-CD2 3.94Å; P38-F44 HydrophobicContact CB-CE2 3.87Å; P38-F44 WeakPolarHBondContact O-CD2 3.43Å; P38-P279 HydrophobicContact CB-CB 3.82Å; P38-P279 HydrophobicContact CB-CG 4.36Å; P38-P279 HydrophobicContact CG-CB 4.24Å; P38-I283 HydrophobicContact CG-CD1 3.44Å; P38-I283 VanDerWaalsContact CG-CD1 3.44Å
39C97.2Very high97.6Very high33 Ų3366.1 Ų66.122%0.22337%0.367CS..G310 helixtrans-60-19.5178.3-650000113L36 T37 S276 V280L36-C39 WeakPolarHBondContact O-CB 3.31Å; L36-C39 PolarHBondContact O-N 3.04Å; L36-C39 VanDerWaalsContact O-N 3.15Å; T37-C39 VanDerWaalsContact C-N 3.25Å; T37-C39 PolarHBondContact O-N 2.56Å; C39-S276 PolarHBondContact SG-O 3.08Å; C39-V280 VanDerWaalsContact SG-CG2 3.52Å
40S97Very high97.3Very high89 Ų8970.3 Ų70.362%0.62238%0.384SS*.G310 helixtrans-102.3-0.9177.8660000114.3T37 P38T37-S40 PolarHBondContact O-N 3.32Å; T37-S40 PolarHBondContact O-OG 3.35Å; P38-S40 PolarHBondContact O-N 3.05Å
41W98.5Very high97.1Very high120 Ų12067 Ų6746%0.45537%0.368SS..SBendtrans-70.8136176.9-65.7-6.6000110T37 P38 E43 F44 S45T37-W41 HydrophobicContact CG2-CZ2 4.2Å; P38-W41 HydrophobicContact CB-CD2 3.87Å; P38-W41 HydrophobicContact CB-CE3 3.77Å; P38-W41 HydrophobicContact CB-CG 4.45Å; P38-W41 HydrophobicContact CB-CH2 4.23Å; P38-W41 HydrophobicContact CB-CZ2 4.32Å; P38-W41 HydrophobicContact CB-CZ3 3.96Å; P38-W41 HydrophobicContact CG-CE3 4.44Å; P38-W41 HydrophobicContact CG-CH2 4Å; P38-W41 HydrophobicContact CG-CZ2 4.1Å; P38-W41 HydrophobicContact CG-CZ3 4.18Å; P38-W41 WeakPolarHBondContact O-CB 3.41Å; P38-W41 PolarHBondContact O-N 3.26Å; W41-E43 PolarHBondContact O-N 3.31Å; W41-F44 HydrophobicContact CB-CD2 4.28Å; W41-F44 HydrophobicContact CE3-CD2 4.12Å; W41-F44 AromaticContact CE3-CE2 3.9Å; W41-F44 HydrophobicContact CE3-CE2 3.9Å; W41-F44 HydrophobicContact CZ3-CE2 4.34Å; W41-F44 PolarHBondContact O-N 2.9Å; W41-S45 WeakPolarHBondContact O-CB 3.47Å; W41-S45 PolarHBondContact O-N 2.95Å; W41-S45 PolarHBondContact O-OG 3.17Å
42P98.2Very high96.8Very high72 Ų7269 Ų6947%0.46838%0.383SS..Hα-helixtrans-54-34178.2-28.936.8000113.8F44 S45 N46P42-F44 PolarHBondContact O-N 3.36Å; P42-S45 PolarHBondContact O-N 2.92Å; P42-N46 WeakPolarHBondContact O-CB 3.37Å; P42-N46 PolarHBondContact O-N 3.32Å
43E97.9Very high96.4Very high133 Ų13370.7 Ų70.762%0.62139%0.389SS*.Hα-helixtrans-63.4-21.2178.8-62.681.6177.300113.1W41 I47W41-E43 PolarHBondContact O-N 3.31Å; E43-I47 WeakPolarHBondContact O-CG1 3.4Å
44F97.6Very high96.2Very high38 Ų3872.9 Ų72.917%0.16739%0.39CS..Hα-helixtrans-107-40.4171.6-68.9-61.8000112.4P38 W41 P42 Y59 L62 P279P38-F44 HydrophobicContact CB-CD2 3.94Å; P38-F44 HydrophobicContact CB-CE2 3.87Å; P38-F44 WeakPolarHBondContact O-CD2 3.43Å; W41-F44 HydrophobicContact CB-CD2 4.28Å; W41-F44 HydrophobicContact CE3-CD2 4.12Å; W41-F44 AromaticContact CE3-CE2 3.9Å; W41-F44 HydrophobicContact CE3-CE2 3.9Å; W41-F44 HydrophobicContact CZ3-CE2 4.34Å; W41-F44 PolarHBondContact O-N 2.9Å; P42-F44 PolarHBondContact O-N 3.36Å; F44-Y59 WeakPolarHBondContact CA-OH 3.31Å; F44-Y59 HydrophobicContact CD1-CD1 4.27Å; F44-Y59 AromaticContact CD1-CE1 3.59Å; F44-Y59 HydrophobicContact CD1-CE1 3.59Å; F44-Y59 HydrophobicContact CD1-CE2 4.24Å; F44-Y59 AromaticContact CD1-CZ 3.6Å; F44-Y59 HydrophobicContact CE1-CD1 4.37Å; F44-Y59 HydrophobicContact CE1-CE1 4.07Å; F44-Y59 PolarHBondContact O-OH 3.44Å; F44-L62 HydrophobicContact CE1-CD2 4.24Å; F44-P279 HydrophobicContact CD1-CG 3.92Å; F44-P279 HydrophobicContact CD2-CG 3.96Å; F44-P279 HydrophobicContact CE1-CG 3.82Å; F44-P279 HydrophobicContact CE2-CB 4.41Å; F44-P279 HydrophobicContact CE2-CG 3.86Å; F44-P279 HydrophobicContact CG-CG 3.99Å; F44-P279 HydrophobicContact CZ-CB 4.49Å; F44-P279 HydrophobicContact CZ-CG 3.79Å
45S96.8Very high96.1Very high53 Ų5373.6 Ų73.637%0.37139%0.392SS..Hα-helixtrans-86.6-22.3-169.757.50000115W41 P42W41-S45 WeakPolarHBondContact O-CB 3.47Å; W41-S45 PolarHBondContact O-N 2.95Å; W41-S45 PolarHBondContact O-OG 3.17Å; P42-S45 PolarHBondContact O-N 2.92Å
46N97.3Very high96Very high126 Ų12673.7 Ų73.767%0.67439%0.393SS*.SBendtrans-109.918.2-173.6-68.7-15.6000113.9P42P42-N46 WeakPolarHBondContact O-CB 3.37Å; P42-N46 PolarHBondContact O-N 3.32Å
47I96.3Very high95.8Very high64 Ų6475.4 Ų75.433%0.32840%0.402SS..  trans-94.9123.6177.2-54.6-58.4000109.7E43 V51 V56 Y59E43-I47 WeakPolarHBondContact O-CG1 3.4Å; I47-V51 HydrophobicContact CG2-CG1 4.45Å; I47-V51 HydrophobicContact CG2-CG2 3.72Å; I47-V56 HydrophobicContact CG2-CG1 3.7Å; I47-Y59 HydrophobicContact CB-CE2 4.34Å; I47-Y59 HydrophobicContact CG1-CE2 4.37Å
48H96.4Very high95.8Very high116 Ų11674.7 Ų74.754%0.53741%0.409SS..  trans-67.9136173.2-176.2-87.4000109.8Y50 V51H48-Y50 AromaticContact CE1-CD2 3.63Å; H48-Y50 PolarHBondContact ND1-N 2.96Å; H48-Y50 PolarHBondContact O-N 2.97Å; H48-V51 HydrophobicContact CB-CG1 3.97Å; H48-V51 WeakPolarHBondContact O-CG1 3.45Å; H48-V51 WeakPolarHBondContact O-CG2 3.42Å; H48-V51 PolarHBondContact O-N 3.43Å
49P93.6Very high95.7Very high58 Ų5875.4 Ų75.438%0.37741%0.411SS..THydrogen-bonded Turntrans-62.6-17.2-171.623.2-35.4000115C270P49-C270 HydrophobicContact CB-CB 4.38Å
50Y93.2Very high95.6Very high89 Ų8978.2 Ų78.235%0.34942%0.417SS..THydrogen-bonded Turntrans-116.725.9-178.2-45.9-43.9000113.7H48 H251 L253 A269 H271H48-Y50 AromaticContact CE1-CD2 3.63Å; H48-Y50 PolarHBondContact ND1-N 2.96Å; H48-Y50 PolarHBondContact O-N 2.97Å; Y50-H251 AromaticContact CE1-CE1 3.66Å; Y50-L253 HydrophobicContact CD1-CD1 4.15Å; Y50-L253 HydrophobicContact CD2-CD1 3.74Å; Y50-L253 HydrophobicContact CE1-CD1 4.04Å; Y50-L253 HydrophobicContact CE2-CD1 3.62Å; Y50-L253 HydrophobicContact CG-CD1 4.02Å; Y50-A269 PolarHBondContact OH-O 3.13Å; Y50-H271 AromaticContact CD1-CE1 3.98Å; Y50-H271 AromaticContact CD1-NE2 3.53Å; Y50-H271 AromaticContact CE1-CD2 3.93Å; Y50-H271 AromaticContact CE1-NE2 3.71Å
51V94.1Very high95.5Very high33 Ų3381.5 Ų81.520%0.242%0.416CS..SBendtrans-61.4155.8167-66.30000110.8I47 H48 Q55 V56I47-V51 HydrophobicContact CG2-CG1 4.45Å; I47-V51 HydrophobicContact CG2-CG2 3.72Å; H48-V51 HydrophobicContact CB-CG1 3.97Å; H48-V51 WeakPolarHBondContact O-CG1 3.45Å; H48-V51 WeakPolarHBondContact O-CG2 3.42Å; H48-V51 PolarHBondContact O-N 3.43Å; V51-Q55 HydrophobicContact CB-CB 4.25Å; V51-Q55 HydrophobicContact CG2-CB 4.02Å; V51-V56 HydrophobicContact CG2-CG1 3.44Å; V51-V56 VanDerWaalsContact CG2-CG1 3.44Å
52P92.8Very high95.5Very high77 Ų7776.3 Ų76.350%0.540%0.397SS..  trans-47.5142.2167.1-31.438.7000112.9D54 Q55P52-D54 WeakPolarHBondContact CB-OD1 3.37Å; P52-D54 PolarHBondContact O-N 3.19Å; P52-Q55 HydrophobicContact CB-CG 4.48Å; P52-Q55 WeakPolarHBondContact O-CB 3.3Å; P52-Q55 PolarHBondContact O-N 2.85Å
53L90.1Very high95.4Very high63 Ų6373.4 Ų73.433%0.3338%0.377SS..G310 helixtrans-64.3-23.1-171.5-69.5-179.6000114.1Q55 V56 W272L53-Q55 PolarHBondContact O-N 3.4Å; L53-V56 HydrophobicContact CD2-CG2 4.21Å; L53-V56 WeakPolarHBondContact O-CG2 3.44Å; L53-V56 PolarHBondContact O-N 3.18Å; L53-W272 HydrophobicContact CD2-CH2 4.02Å
54D93.2Very high95.4Very high119 Ų11970.4 Ų70.464%0.63637%0.371SS*.G310 helixtrans-72.1-10.7174.861.2-13.7000113.3P52P52-D54 WeakPolarHBondContact CB-OD1 3.37Å; P52-D54 PolarHBondContact O-N 3.19Å
55Q95.8Very high95.4Very high118 Ų11869.3 Ų69.355%0.55137%0.367SS*.G310 helixtrans-91.8-2.6174.2-59.6179.626.200112.9V51 P52 L53V51-Q55 HydrophobicContact CB-CB 4.25Å; V51-Q55 HydrophobicContact CG2-CB 4.02Å; P52-Q55 HydrophobicContact CB-CG 4.48Å; P52-Q55 WeakPolarHBondContact O-CB 3.3Å; P52-Q55 PolarHBondContact O-N 2.85Å; L53-Q55 PolarHBondContact O-N 3.4Å
56V95.1Very high95.5Very high12 Ų1266.8 Ų66.87%0.07335%0.349CS..  trans-128.624.1-172.5-68.80000113.4I47 V51 L53 G58 Y59 R60I47-V56 HydrophobicContact CG2-CG1 3.7Å; V51-V56 HydrophobicContact CG2-CG1 3.44Å; V51-V56 VanDerWaalsContact CG2-CG1 3.44Å; L53-V56 HydrophobicContact CD2-CG2 4.21Å; L53-V56 WeakPolarHBondContact O-CG2 3.44Å; L53-V56 PolarHBondContact O-N 3.18Å; V56-G58 PolarHBondContact O-N 3.36Å; V56-G58 VanDerWaalsContact O-N 3.16Å; V56-Y59 HydrophobicContact CB-CD2 4.46Å; V56-Y59 HydrophobicContact CG1-CD2 4.29Å; V56-Y59 WeakPolarHBondContact O-CA 3.42Å; V56-Y59 WeakPolarHBondContact O-CB 3.48Å; V56-Y59 PolarHBondContact O-N 3.48Å; V56-R60 WeakPolarHBondContact O-CG 3.4Å; V56-R60 PolarHBondContact O-N 2.78Å
57D95.3Very high95.6Very high97 Ų9762.1 Ų62.152%0.51932%0.324SS..Hα-helixtrans-55.1-35.4177.9-77.7-21.4000113Y59 R60 R61D57-Y59 PolarHBondContact O-N 2.78Å; D57-R60 PolarHBondContact O-N 3.2Å; D57-R60 IonicContact OD1-NH1 3.34Å; D57-R61 PolarHBondContact O-N 3.4Å
58G96.7Very high95.7Very high55 Ų5562.4 Ų62.457%0.56733%0.332SS*.Hα-helixtrans-61-43173.700000112.8V56 R61 L62V56-G58 PolarHBondContact O-N 3.36Å; V56-G58 VanDerWaalsContact O-N 3.16Å; G58-R61 PolarHBondContact O-N 2.73Å; G58-L62 PolarHBondContact O-N 2.78Å
59Y96.4Very high95.8Very high18 Ų1860.3 Ų60.37%0.07132%0.319CS..Hα-helixtrans-66.1-41.9173.2-93.2-56.1000112.1F44 I47 V56 D57 R61 L62 F63 P275 S276F44-Y59 WeakPolarHBondContact CA-OH 3.31Å; F44-Y59 HydrophobicContact CD1-CD1 4.27Å; F44-Y59 AromaticContact CD1-CE1 3.59Å; F44-Y59 HydrophobicContact CD1-CE1 3.59Å; F44-Y59 HydrophobicContact CD1-CE2 4.24Å; F44-Y59 AromaticContact CD1-CZ 3.6Å; F44-Y59 HydrophobicContact CE1-CD1 4.37Å; F44-Y59 HydrophobicContact CE1-CE1 4.07Å; F44-Y59 PolarHBondContact O-OH 3.44Å; I47-Y59 HydrophobicContact CB-CE2 4.34Å; I47-Y59 HydrophobicContact CG1-CE2 4.37Å; V56-Y59 HydrophobicContact CB-CD2 4.46Å; V56-Y59 HydrophobicContact CG1-CD2 4.29Å; V56-Y59 WeakPolarHBondContact O-CA 3.42Å; V56-Y59 WeakPolarHBondContact O-CB 3.48Å; V56-Y59 PolarHBondContact O-N 3.48Å; D57-Y59 PolarHBondContact O-N 2.78Å; Y59-R61 VanDerWaalsContact C-N 3.28Å; Y59-R61 PolarHBondContact O-N 3.23Å; Y59-L62 HydrophobicContact CD1-CD2 3.91Å; Y59-L62 HydrophobicContact CE1-CD2 4.13Å; Y59-L62 VanDerWaalsContact O-CB 3.32Å; Y59-L62 WeakPolarHBondContact O-CB 3.36Å; Y59-L62 PolarHBondContact O-N 3.32Å; Y59-L62 VanDerWaalsContact O-N 3.14Å; Y59-F63 AromaticContact CD1-CE1 3.84Å; Y59-F63 HydrophobicContact CD1-CE1 3.84Å; Y59-F63 HydrophobicContact CD1-CE2 4.37Å; Y59-F63 AromaticContact CD1-CZ 3.54Å; Y59-F63 HydrophobicContact CD1-CZ 3.54Å; Y59-F63 HydrophobicContact CE1-CZ 4.39Å; Y59-F63 HydrophobicContact CG-CE2 4.39Å; Y59-F63 AromaticContact CG-CZ 3.94Å; Y59-F63 HydrophobicContact CG-CZ 3.94Å; Y59-F63 WeakPolarHBondContact O-CD2 3.43Å; Y59-F63 WeakPolarHBondContact O-CG 3.47Å; Y59-F63 PolarHBondContact O-N 2.96Å; Y59-P275 HydrophobicContact CD1-CB 4.12Å; Y59-P275 HydrophobicContact CE1-CB 3.65Å; Y59-P275 HydrophobicContact CE1-CG 4.41Å; Y59-P275 WeakPolarHBondContact CE1-O 3.37Å; Y59-S276 WeakPolarHBondContact OH-CA 3.28Å; Y59-S276 PolarHBondContact OH-N 3.36Å
60R94.5Very high96Very high93 Ų9357.6 Ų57.635%0.35130%0.301SS..Hα-helixtrans-61.9-38.8178.1-64.3-178.775.5-159.85.6111.5V56 D57 F63 S64 D256V56-R60 WeakPolarHBondContact O-CG 3.4Å; V56-R60 PolarHBondContact O-N 2.78Å; D57-R60 PolarHBondContact O-N 3.2Å; D57-R60 IonicContact OD1-NH1 3.34Å; R60-F63 PolarHBondContact O-N 2.72Å; R60-S64 WeakPolarHBondContact O-CB 3.41Å; R60-S64 PolarHBondContact O-N 3.46Å; R60-D256 IonicContact CZ-OD1 2.76Å; R60-D256 IonicContact NE-OD1 3.55Å; R60-D256 IonicContact NE-OD2 3.65Å; R60-D256 PolarHBondContact NE-OD2 2.79Å; R60-D256 IonicContact NH2-OD1 3.04Å; R60-D256 PolarHBondContact NH2-OD1 2.85Å; R60-D256 IonicContact NH2-OD2 2.7Å
61R96.6Very high96.3Very high157 Ų15754 Ų5459%0.59229%0.29SS*.Hα-helixtrans-63.5-47.5172.2-178.464.4-163.9-163.87.7111.9D57 G58 Y59 F63 S64 D65D57-R61 PolarHBondContact O-N 3.4Å; G58-R61 PolarHBondContact O-N 2.73Å; Y59-R61 VanDerWaalsContact C-N 3.28Å; Y59-R61 PolarHBondContact O-N 3.23Å; R61-F63 VanDerWaalsContact C-N 3.3Å; R61-F63 PolarHBondContact O-N 3.09Å; R61-S64 PolarHBondContact O-N 3.39Å; R61-D65 IonicContact CZ-OD1 3.76Å; R61-D65 IonicContact CZ-OD2 2.65Å; R61-D65 IonicContact NE-OD1 2.71Å; R61-D65 PolarHBondContact NE-OD1 3.48Å; R61-D65 IonicContact NE-OD2 3.56Å; R61-D65 PolarHBondContact NE-OD2 2.85Å; R61-D65 VanDerWaalsContact NE-OD2 3.08Å; R61-D65 IonicContact NH2-OD1 3.48Å; R61-D65 PolarHBondContact NH2-OD1 3.49Å; R61-D65 IonicContact NH2-OD2 3.64Å; R61-D65 PolarHBondContact O-N 3.02Å
62L97.8Very high96.5Very high11 Ų1158.6 Ų58.66%0.05831%0.309CS..Hα-helixtrans-53.3-47.6175.8-179.779.5000111.3F44 G58 Y59 D65 L66 L278 P279 W282F44-L62 HydrophobicContact CE1-CD2 4.24Å; G58-L62 PolarHBondContact O-N 2.78Å; Y59-L62 HydrophobicContact CD1-CD2 3.91Å; Y59-L62 HydrophobicContact CE1-CD2 4.13Å; Y59-L62 VanDerWaalsContact O-CB 3.32Å; Y59-L62 WeakPolarHBondContact O-CB 3.36Å; Y59-L62 PolarHBondContact O-N 3.32Å; Y59-L62 VanDerWaalsContact O-N 3.14Å; L62-D65 PolarHBondContact O-N 3.04Å; L62-L66 HydrophobicContact CG-CD1 4.3Å; L62-L66 WeakPolarHBondContact O-CB 3.31Å; L62-L66 WeakPolarHBondContact O-CG 3.42Å; L62-L66 PolarHBondContact O-N 2.87Å; L62-L278 HydrophobicContact CD2-CB 3.85Å; L62-P279 HydrophobicContact CD2-CG 4.31Å; L62-W282 HydrophobicContact CD1-CB 3.53Å; L62-W282 VanDerWaalsContact CD1-CD1 3.45Å; L62-W282 HydrophobicContact CD1-CD2 4.2Å; L62-W282 HydrophobicContact CD1-CG 3.44Å; L62-W282 VanDerWaalsContact CD1-CG 3.44Å
63F96.4Very high96.8Very high11 Ų1155.9 Ų55.95%0.04829%0.289CS..Hα-helixtrans-67-41.4179.4-53.7-32.8000112.1Y59 R60 R61 L66 N67 W272 P275 L278Y59-F63 AromaticContact CD1-CE1 3.84Å; Y59-F63 HydrophobicContact CD1-CE1 3.84Å; Y59-F63 HydrophobicContact CD1-CE2 4.37Å; Y59-F63 AromaticContact CD1-CZ 3.54Å; Y59-F63 HydrophobicContact CD1-CZ 3.54Å; Y59-F63 HydrophobicContact CE1-CZ 4.39Å; Y59-F63 HydrophobicContact CG-CE2 4.39Å; Y59-F63 AromaticContact CG-CZ 3.94Å; Y59-F63 HydrophobicContact CG-CZ 3.94Å; Y59-F63 WeakPolarHBondContact O-CD2 3.43Å; Y59-F63 WeakPolarHBondContact O-CG 3.47Å; Y59-F63 PolarHBondContact O-N 2.96Å; R60-F63 PolarHBondContact O-N 2.72Å; R61-F63 VanDerWaalsContact C-N 3.3Å; R61-F63 PolarHBondContact O-N 3.09Å; F63-L66 PolarHBondContact O-N 2.94Å; F63-N67 WeakPolarHBondContact O-CB 3.13Å; F63-N67 PolarHBondContact O-N 3.15Å; F63-W272 AromaticContact CD2-CD1 3.98Å; F63-W272 AromaticContact CD2-CD2 3.9Å; F63-W272 HydrophobicContact CD2-CD2 3.9Å; F63-W272 AromaticContact CD2-CE2 3.71Å; F63-W272 HydrophobicContact CD2-CE3 4.49Å; F63-W272 HydrophobicContact CD2-CG 4.07Å; F63-W272 HydrophobicContact CD2-CZ2 4.16Å; F63-W272 AromaticContact CD2-NE1 3.76Å; F63-W272 HydrophobicContact CE1-CB 4.28Å; F63-W272 HydrophobicContact CE1-CG 4.38Å; F63-W272 HydrophobicContact CE2-CB 4.24Å; F63-W272 AromaticContact CE2-CD1 3.98Å; F63-W272 AromaticContact CE2-CD2 3.24Å; F63-W272 HydrophobicContact CE2-CD2 3.24Å; F63-W272 AromaticContact CE2-CE2 3.5Å; F63-W272 VanDerWaalsContact CE2-CE2 3.5Å; F63-W272 AromaticContact CE2-CE3 3.49Å; F63-W272 HydrophobicContact CE2-CE3 3.49Å; F63-W272 VanDerWaalsContact CE2-CE3 3.49Å; F63-W272 AromaticContact CE2-CG 3.59Å; F63-W272 HydrophobicContact CE2-CG 3.59Å; F63-W272 HydrophobicContact CE2-CH2 4.18Å; F63-W272 AromaticContact CE2-CZ2 3.97Å; F63-W272 HydrophobicContact CE2-CZ2 3.97Å; F63-W272 AromaticContact CE2-CZ3 3.97Å; F63-W272 HydrophobicContact CE2-CZ3 3.97Å; F63-W272 AromaticContact CE2-NE1 3.92Å; F63-W272 HydrophobicContact CZ-CB 3.89Å; F63-W272 AromaticContact CZ-CD2 3.77Å; F63-W272 HydrophobicContact CZ-CD2 3.77Å; F63-W272 AromaticContact CZ-CE3 3.92Å; F63-W272 HydrophobicContact CZ-CE3 3.92Å; F63-W272 AromaticContact CZ-CG 3.77Å; F63-W272 HydrophobicContact CZ-CG 3.77Å; F63-P275 HydrophobicContact CE1-CB 4.01Å; F63-P275 HydrophobicContact CZ-CB 3.82Å; F63-L278 HydrophobicContact CD1-CD1 4Å; F63-L278 HydrophobicContact CE1-CD1 3.74Å
64S97.2Very high97.2Very high70 Ų7052.9 Ų52.949%0.4927%0.274SS..Hα-helixtrans-61.5-43.7176.9-177.70000112R60 R61 S68R60-S64 WeakPolarHBondContact O-CB 3.41Å; R60-S64 PolarHBondContact O-N 3.46Å; R61-S64 PolarHBondContact O-N 3.39Å; S64-S68 WeakPolarHBondContact O-CB 3.45Å; S64-S68 PolarHBondContact O-N 3.44Å; S64-S68 VanDerWaalsContact O-N 3.09Å
65D98.5Very high97.5Very high15 Ų1547.8 Ų47.88%0.0825%0.249CC..Hα-helixtrans-65.6-49.5178.2-72.5-26.1000110.5R61 L62 N67 S68 W69 W282R61-D65 IonicContact CZ-OD1 3.76Å; R61-D65 IonicContact CZ-OD2 2.65Å; R61-D65 IonicContact NE-OD1 2.71Å; R61-D65 PolarHBondContact NE-OD1 3.48Å; R61-D65 IonicContact NE-OD2 3.56Å; R61-D65 PolarHBondContact NE-OD2 2.85Å; R61-D65 VanDerWaalsContact NE-OD2 3.08Å; R61-D65 IonicContact NH2-OD1 3.48Å; R61-D65 PolarHBondContact NH2-OD1 3.49Å; R61-D65 IonicContact NH2-OD2 3.64Å; R61-D65 PolarHBondContact O-N 3.02Å; L62-D65 PolarHBondContact O-N 3.04Å; D65-N67 VanDerWaalsContact C-N 3.34Å; D65-N67 PolarHBondContact O-N 2.82Å; D65-S68 PolarHBondContact O-N 3.29Å; D65-W69 HydrophobicContact CB-CD2 4.42Å; D65-W69 HydrophobicContact CB-CE3 4.43Å; D65-W69 HydrophobicContact CB-CH2 3.95Å; D65-W69 HydrophobicContact CB-CZ2 3.9Å; D65-W69 HydrophobicContact CB-CZ3 4.21Å; D65-W69 VanDerWaalsContact O-CD2 3.31Å; D65-W69 PolarHBondContact O-N 2.73Å; D65-W282 VanDerWaalsContact CB-NE1 3.33Å; D65-W282 PolarHBondContact OD2-NE1 2.64Å
66L98.6Very high97.6Very high1 Ų142.5 Ų42.51%0.00523%0.225CC..Hα-helixtrans-59.7-43176.8-74.5176.3000112.1L62 F63 W69 L70 F81 L278 P281 W282 I285L62-L66 HydrophobicContact CG-CD1 4.3Å; L62-L66 WeakPolarHBondContact O-CB 3.31Å; L62-L66 WeakPolarHBondContact O-CG 3.42Å; L62-L66 PolarHBondContact O-N 2.87Å; F63-L66 PolarHBondContact O-N 2.94Å; L66-W69 HydrophobicContact CD2-CE3 4.46Å; L66-W69 PolarHBondContact O-N 3.46Å; L66-L70 VanDerWaalsContact O-CB 3.24Å; L66-L70 WeakPolarHBondContact O-CB 3.37Å; L66-L70 WeakPolarHBondContact O-CG 3.23Å; L66-L70 PolarHBondContact O-N 3.1Å; L66-F81 HydrophobicContact CB-CE1 3.96Å; L66-F81 HydrophobicContact CB-CE2 4.38Å; L66-F81 HydrophobicContact CB-CZ 3.52Å; L66-F81 HydrophobicContact CD1-CE1 4.25Å; L66-L278 HydrophobicContact CD1-CB 3.92Å; L66-L278 HydrophobicContact CD1-CD1 4.41Å; L66-L278 HydrophobicContact CD1-CD2 4.34Å; L66-L278 HydrophobicContact CD1-CG 4.46Å; L66-P281 HydrophobicContact CD2-CB 4.45Å; L66-P281 HydrophobicContact CD2-CG 4.42Å; L66-W282 HydrophobicContact CD2-CB 3.91Å; L66-W282 HydrophobicContact CD2-CG 4.49Å; L66-W282 HydrophobicContact CG-CB 4.25Å; L66-I285 HydrophobicContact CD2-CD1 4.02Å
67N98.2Very high97.8Very high28 Ų2844.8 Ų44.815%0.1524%0.236CC..Hα-helixtrans-56.9-53.1177.1-177.280.5000110.7F63 D65 W69 L70 C71 Q78 F79 F81F63-N67 WeakPolarHBondContact O-CB 3.13Å; F63-N67 PolarHBondContact O-N 3.15Å; D65-N67 VanDerWaalsContact C-N 3.34Å; D65-N67 PolarHBondContact O-N 2.82Å; N67-W69 PolarHBondContact O-N 3.5Å; N67-L70 PolarHBondContact O-N 3.27Å; N67-C71 VanDerWaalsContact O-CB 3.25Å; N67-C71 WeakPolarHBondContact O-CB 3.49Å; N67-C71 PolarHBondContact O-N 2.94Å; N67-C71 PolarHBondContact O-SG 2.91Å; N67-Q78 PolarHBondContact ND2-OE1 2.94Å; N67-Q78 PolarHBondContact OD1-NE2 3.15Å; N67-F79 WeakPolarHBondContact OD1-CA 3.41Å; N67-F79 WeakPolarHBondContact OD1-CB 3.42Å; N67-F79 PolarHBondContact OD1-N 2.94Å; N67-F79 PolarHBondContact OD1-O 3.47Å; N67-F81 HydrophobicContact CB-CE2 4.23Å
68S98.6Very high97.9Very high69 Ų6943.2 Ų43.248%0.48323%0.226SC..Hα-helixtrans-58.7-48.1-179.6-177.60000112.1S64 D65 C71 E72S64-S68 WeakPolarHBondContact O-CB 3.45Å; S64-S68 PolarHBondContact O-N 3.44Å; S64-S68 VanDerWaalsContact O-N 3.09Å; D65-S68 PolarHBondContact O-N 3.29Å; S68-C71 WeakPolarHBondContact O-CB 3.44Å; S68-C71 PolarHBondContact O-N 2.98Å; S68-E72 PolarHBondContact O-N 3.31Å
69W98.8Very high97.9Very high72 Ų7240.9 Ų40.927%0.27320%0.2SC..Hα-helixtrans-69.8-40.9-177.6-58.4-21.9000113.1D65 L66 N67 E72 M73 W282 I285 A286D65-W69 HydrophobicContact CB-CD2 4.42Å; D65-W69 HydrophobicContact CB-CE3 4.43Å; D65-W69 HydrophobicContact CB-CH2 3.95Å; D65-W69 HydrophobicContact CB-CZ2 3.9Å; D65-W69 HydrophobicContact CB-CZ3 4.21Å; D65-W69 VanDerWaalsContact O-CD2 3.31Å; D65-W69 PolarHBondContact O-N 2.73Å; L66-W69 HydrophobicContact CD2-CE3 4.46Å; L66-W69 PolarHBondContact O-N 3.46Å; N67-W69 PolarHBondContact O-N 3.5Å; W69-E72 PolarHBondContact O-N 3.21Å; W69-M73 HydrophobicContact CB-CE 4.2Å; W69-M73 VanDerWaalsContact O-CE 3.27Å; W69-M73 WeakPolarHBondContact O-CE 3.45Å; W69-M73 WeakPolarHBondContact O-CG 3.44Å; W69-M73 PolarHBondContact O-N 3.26Å; W69-W282 AromaticContact CH2-CD1 3.81Å; W69-W282 HydrophobicContact CH2-CD2 4.06Å; W69-W282 AromaticContact CH2-CE2 3.49Å; W69-W282 VanDerWaalsContact CH2-CE2 3.49Å; W69-W282 HydrophobicContact CH2-CG 4.25Å; W69-W282 AromaticContact CH2-CZ2 3.86Å; W69-W282 HydrophobicContact CH2-CZ2 3.86Å; W69-W282 AromaticContact CH2-NE1 3.37Å; W69-W282 AromaticContact CZ3-CD1 3.42Å; W69-W282 VanDerWaalsContact CZ3-CD1 3.42Å; W69-W282 AromaticContact CZ3-CD2 4Å; W69-W282 HydrophobicContact CZ3-CD2 4Å; W69-W282 AromaticContact CZ3-CE2 3.85Å; W69-W282 AromaticContact CZ3-CG 3.75Å; W69-W282 HydrophobicContact CZ3-CG 3.75Å; W69-W282 AromaticContact CZ3-NE1 3.52Å; W69-I285 HydrophobicContact CB-CG2 4.01Å; W69-I285 HydrophobicContact CD2-CG2 3.77Å; W69-I285 HydrophobicContact CE3-CB 3.86Å; W69-I285 HydrophobicContact CE3-CD1 4.31Å; W69-I285 HydrophobicContact CE3-CG2 3.41Å; W69-I285 VanDerWaalsContact CE3-CG2 3.41Å; W69-I285 HydrophobicContact CG-CG2 4.05Å; W69-I285 HydrophobicContact CZ3-CB 4.23Å; W69-I285 HydrophobicContact CZ3-CG2 4.09Å; W69-A286 HydrophobicContact CH2-CB 4.05Å; W69-A286 HydrophobicContact CZ3-CB 4.33Å
70L98.8Very high97.9Very high1 Ų140.8 Ų40.81%0.00520%0.202CC..Hα-helixtrans-65.5-43.1176.4-66174.7000110.5L66 N67 E72 M73 T74 F79 F81 L218 F224 I285L66-L70 VanDerWaalsContact O-CB 3.24Å; L66-L70 WeakPolarHBondContact O-CB 3.37Å; L66-L70 WeakPolarHBondContact O-CG 3.23Å; L66-L70 PolarHBondContact O-N 3.1Å; N67-L70 PolarHBondContact O-N 3.27Å; L70-E72 VanDerWaalsContact C-N 3.33Å; L70-E72 PolarHBondContact O-N 3.18Å; L70-M73 HydrophobicContact CD2-CE 3.78Å; L70-M73 PolarHBondContact O-N 2.9Å; L70-T74 WeakPolarHBondContact O-CB 3.5Å; L70-T74 WeakPolarHBondContact O-CG2 3.19Å; L70-T74 PolarHBondContact O-N 2.99Å; L70-T74 PolarHBondContact O-OG1 3.14Å; L70-F79 VanDerWaalsContact C-CE2 3.44Å; L70-F79 HydrophobicContact CB-CD1 4.3Å; L70-F79 HydrophobicContact CB-CD2 3.75Å; L70-F79 HydrophobicContact CB-CE1 4.07Å; L70-F79 HydrophobicContact CB-CE2 3.51Å; L70-F79 HydrophobicContact CB-CG 4.15Å; L70-F79 HydrophobicContact CB-CZ 3.68Å; L70-F79 HydrophobicContact CD1-CD1 4.1Å; L70-F79 HydrophobicContact CD1-CE1 4.25Å; L70-F79 HydrophobicContact CD1-CG 4.38Å; L70-F81 HydrophobicContact CD1-CE1 3.72Å; L70-F81 HydrophobicContact CD1-CZ 3.91Å; L70-L218 HydrophobicContact CD1-CD1 4.4Å; L70-L218 HydrophobicContact CD2-CD1 3.75Å; L70-L218 HydrophobicContact CG-CD1 4.44Å; L70-F224 HydrophobicContact CD2-CE1 4.13Å; L70-F224 HydrophobicContact CD2-CE2 4.3Å; L70-F224 HydrophobicContact CD2-CZ 3.94Å; L70-I285 HydrophobicContact CD2-CD1 4.28Å
71C98.8Very high98.1Very high15 Ų1536.7 Ų36.710%0.10119%0.187CC..Hα-helixtrans-53.7-48.2171.9-80.50000112.2N67 S68 M73 T74 G75 F76 N77N67-C71 VanDerWaalsContact O-CB 3.25Å; N67-C71 WeakPolarHBondContact O-CB 3.49Å; N67-C71 PolarHBondContact O-N 2.94Å; N67-C71 PolarHBondContact O-SG 2.91Å; S68-C71 WeakPolarHBondContact O-CB 3.44Å; S68-C71 PolarHBondContact O-N 2.98Å; C71-M73 PolarHBondContact O-N 2.9Å; C71-T74 PolarHBondContact O-N 3.23Å; C71-G75 WeakPolarHBondContact O-CA 3.48Å; C71-G75 PolarHBondContact O-N 2.68Å; C71-F76 WeakPolarHBondContact CA-O 3.38Å; C71-F76 WeakPolarHBondContact CB-O 3.42Å; C71-F76 PolarHBondContact O-N 3.01Å; C71-F76 PolarHBondContact SG-O 3.05Å; C71-N77 PolarHBondContact SG-O 3.37Å
72E98.7Very high98.1Very high128 Ų12829.5 Ų29.560%0.59816%0.16SC*.Hα-helixtrans-62.8-40.9179177.554.1-15200112.5S68 W69 L70 T74 R207S68-E72 PolarHBondContact O-N 3.31Å; W69-E72 PolarHBondContact O-N 3.21Å; L70-E72 VanDerWaalsContact C-N 3.33Å; L70-E72 PolarHBondContact O-N 3.18Å; E72-T74 VanDerWaalsContact C-N 3.35Å; E72-R207 WeakPolarHBondContact O-CD 3.29Å; E72-R207 PolarHBondContact O-NH1 3.2Å; E72-R207 VanDerWaalsContact O-NH1 3.15Å; E72-R207 IonicContact OE1-NH1 2.82Å; E72-R207 PolarHBondContact OE1-NH1 3.18Å; E72-R207 IonicContact OE2-NH1 3.53Å
73M98.5Very high98.1Very high20 Ų2029 Ų2910%0.09916%0.157CC..Hα-helixtrans-72.2-26.5179.1-73.2-175.7-80.300113.5W69 L70 C71 V203 R207 F224 I285 L293W69-M73 HydrophobicContact CB-CE 4.2Å; W69-M73 VanDerWaalsContact O-CE 3.27Å; W69-M73 WeakPolarHBondContact O-CE 3.45Å; W69-M73 WeakPolarHBondContact O-CG 3.44Å; W69-M73 PolarHBondContact O-N 3.26Å; L70-M73 HydrophobicContact CD2-CE 3.78Å; L70-M73 PolarHBondContact O-N 2.9Å; C71-M73 PolarHBondContact O-N 2.9Å; M73-V203 HydrophobicContact CG-CG1 4.28Å; M73-V203 HydrophobicContact SD-CG1 3.67Å; M73-R207 WeakPolarHBondContact O-CG 3.49Å; M73-F224 HydrophobicContact CE-CE1 3.9Å; M73-F224 HydrophobicContact CE-CZ 4.44Å; M73-F224 HydrophobicContact SD-CE1 3.98Å; M73-F224 HydrophobicContact SD-CZ 4.48Å; M73-I285 HydrophobicContact CE-CD1 3.64Å; M73-I285 HydrophobicContact CE-CG1 3.97Å; M73-I285 HydrophobicContact CE-CG2 4.34Å; M73-L293 HydrophobicContact SD-CD1 3.79Å
74T98.9Very high98.2Very high1 Ų131.4 Ų31.41%0.00617%0.17CC..Hα-helixtrans-107.8-15.7-175.363.80000114.6L70 C71 E72 F76 F79 M199 R207 P208 G209 L218L70-T74 WeakPolarHBondContact O-CB 3.5Å; L70-T74 WeakPolarHBondContact O-CG2 3.19Å; L70-T74 PolarHBondContact O-N 2.99Å; L70-T74 PolarHBondContact O-OG1 3.14Å; C71-T74 PolarHBondContact O-N 3.23Å; E72-T74 VanDerWaalsContact C-N 3.35Å; T74-F76 VanDerWaalsContact CB-CD2 3.46Å; T74-F76 HydrophobicContact CG2-CD2 4.31Å; T74-F76 PolarHBondContact O-N 3.47Å; T74-F76 WeakPolarHBondContact OG1-CD2 3.46Å; T74-F76 PolarHBondContact OG1-N 3.39Å; T74-F79 HydrophobicContact CG2-CZ 3.96Å; T74-M199 HydrophobicContact CG2-CE 3.96Å; T74-R207 CarbonylContact O-C 3.55Å; T74-P208 VanDerWaalsContact O-CD 3.3Å; T74-P208 WeakPolarHBondContact O-CD 3.31Å; T74-P208 WeakPolarHBondContact O-CG 3.46Å; T74-G209 PolarHBondContact O-N 3.04Å; T74-L218 HydrophobicContact CG2-CD1 4.1Å; T74-L218 HydrophobicContact CG2-CD2 4.2Å
75G98.7Very high98.2Very high11 Ų1130 Ų3011%0.11316%0.16CC..THydrogen-bonded Turntrans71.318.3-171.800000113.7C71 K241C71-G75 WeakPolarHBondContact O-CA 3.48Å; C71-G75 PolarHBondContact O-N 2.68Å; G75-K241 PolarHBondContact O-NZ 3.5Å
76F98.8Very high98.2Very high8 Ų829.5 Ų29.54%0.03516%0.159CC..  trans-91.4167.2171.9-69.1-56000110.8C71 T74 F79 P208 F213 A216 K241C71-F76 WeakPolarHBondContact CA-O 3.38Å; C71-F76 WeakPolarHBondContact CB-O 3.42Å; C71-F76 PolarHBondContact O-N 3.01Å; C71-F76 PolarHBondContact SG-O 3.05Å; T74-F76 VanDerWaalsContact CB-CD2 3.46Å; T74-F76 HydrophobicContact CG2-CD2 4.31Å; T74-F76 PolarHBondContact O-N 3.47Å; T74-F76 WeakPolarHBondContact OG1-CD2 3.46Å; T74-F76 PolarHBondContact OG1-N 3.39Å; F76-F79 HydrophobicContact CB-CE2 4.21Å; F76-F79 HydrophobicContact CD2-CE2 4.5Å; F76-F79 HydrophobicContact CD2-CZ 4.26Å; F76-P208 HydrophobicContact CE2-CB 4.49Å; F76-P208 HydrophobicContact CE2-CG 3.94Å; F76-P208 HydrophobicContact CZ-CB 4.32Å; F76-P208 HydrophobicContact CZ-CG 4.26Å; F76-F213 HydrophobicContact CE1-CB 4.38Å; F76-F213 WeakPolarHBondContact CE1-O 3.32Å; F76-F213 HydrophobicContact CZ-CB 4.09Å; F76-A216 HydrophobicContact CD2-CB 4.37Å; F76-A216 HydrophobicContact CE2-CB 3.33Å; F76-A216 HydrophobicContact CZ-CB 3.63Å; F76-K241 HydrophobicContact CD1-CD 4.27Å; F76-K241 HydrophobicContact CD1-CG 4.2Å; F76-K241 HydrophobicContact CE1-CG 4.43Å
77N98.4Very high98.2Very high59 Ų5931.2 Ų31.232%0.31617%0.173SC..SBendtrans-103.1-28.9-171.1-62.187.7000113.2C71 V240 K241 D242 I245C71-N77 PolarHBondContact SG-O 3.37Å; N77-V240 PolarHBondContact N-O 3.43Å; N77-K241 WeakPolarHBondContact OD1-CA 3.39Å; N77-K241 WeakPolarHBondContact OD1-CD 3.37Å; N77-D242 WeakPolarHBondContact CB-OD1 3.4Å; N77-D242 VanDerWaalsContact ND2-CG 3.25Å; N77-D242 PolarHBondContact ND2-OD1 3.47Å; N77-D242 PolarHBondContact ND2-OD2 3.32Å; N77-D242 VanDerWaalsContact ND2-OD2 3.07Å; N77-D242 PolarHBondContact OD1-N 2.95Å; N77-I245 HydrophobicContact CB-CD1 4Å
78Q97.6Very high98.2Very high65 Ų6531.9 Ų31.930%0.30418%0.176SC..EExtended strand (participates in β ladder)trans-151.7142.9177.6-174.364.518.900111N67 G239 V240 I245 L248N67-Q78 PolarHBondContact ND2-OE1 2.94Å; N67-Q78 PolarHBondContact OD1-NE2 3.15Å; Q78-G239 WeakPolarHBondContact O-CA 3.45Å; Q78-V240 HydrophobicContact CB-CG2 4.48Å; Q78-V240 PolarHBondContact N-O 2.73Å; Q78-V240 PolarHBondContact O-N 2.81Å; Q78-I245 HydrophobicContact CB-CD1 3.74Å; Q78-I245 HydrophobicContact CB-CG1 3.8Å; Q78-I245 HydrophobicContact CB-CG2 4.48Å; Q78-I245 HydrophobicContact CG-CG2 4.48Å; Q78-L248 HydrophobicContact CB-CD1 4.21Å; Q78-L248 HydrophobicContact CG-CD1 3.66Å
79F97.7Very high98.2Very high6 Ų628.6 Ų28.63%0.02615%0.153CC..EExtended strand (participates in β ladder)trans-105.8145.6170.4-84.3-99.8000112.7N67 L70 T74 F76 F81 L218 P237 I238 G239N67-F79 WeakPolarHBondContact OD1-CA 3.41Å; N67-F79 WeakPolarHBondContact OD1-CB 3.42Å; N67-F79 PolarHBondContact OD1-N 2.94Å; N67-F79 PolarHBondContact OD1-O 3.47Å; L70-F79 VanDerWaalsContact C-CE2 3.44Å; L70-F79 HydrophobicContact CB-CD1 4.3Å; L70-F79 HydrophobicContact CB-CD2 3.75Å; L70-F79 HydrophobicContact CB-CE1 4.07Å; L70-F79 HydrophobicContact CB-CE2 3.51Å; L70-F79 HydrophobicContact CB-CG 4.15Å; L70-F79 HydrophobicContact CB-CZ 3.68Å; L70-F79 HydrophobicContact CD1-CD1 4.1Å; L70-F79 HydrophobicContact CD1-CE1 4.25Å; L70-F79 HydrophobicContact CD1-CG 4.38Å; T74-F79 HydrophobicContact CG2-CZ 3.96Å; F76-F79 HydrophobicContact CB-CE2 4.21Å; F76-F79 HydrophobicContact CD2-CE2 4.5Å; F76-F79 HydrophobicContact CD2-CZ 4.26Å; F79-F81 HydrophobicContact CB-CE2 4.17Å; F79-F81 HydrophobicContact CB-CZ 4.16Å; F79-L218 HydrophobicContact CE1-CD1 3.53Å; F79-L218 HydrophobicContact CE1-CG 3.98Å; F79-L218 HydrophobicContact CZ-CD1 3.75Å; F79-L218 HydrophobicContact CZ-CG 4.39Å; F79-P237 HydrophobicContact CD1-CB 4.09Å; F79-I238 CarbonylContact C-O 3.51Å; F79-I238 WeakPolarHBondContact CA-O 3.47Å; F79-I238 VanDerWaalsContact CD1-C 3.41Å; F79-I238 WeakPolarHBondContact CD1-O 3.42Å; F79-G239 VanDerWaalsContact CE1-CA 3.45Å; F79-G239 VanDerWaalsContact CE1-N 3.28Å
80S96.6Very high98.2Very high15 Ų1525.4 Ų25.411%0.10514%0.141CC..EExtended strand (participates in β ladder)trans-110.8128.8160.7177.80000110.3Q82 P237 I238 P249S80-Q82 PolarHBondContact OG-N 3.33Å; S80-P237 CarbonylContact O-C 3.43Å; S80-P237 WeakPolarHBondContact O-CA 3.5Å; S80-P237 VanDerWaalsContact O-CB 3.26Å; S80-P237 WeakPolarHBondContact O-CB 3.43Å; S80-I238 PolarHBondContact N-O 3.2Å; S80-I238 PolarHBondContact O-N 2.98Å; S80-P249 VanDerWaalsContact OG-CG 3.29Å; S80-P249 WeakPolarHBondContact OG-CG 3.41Å
81F97.2Very high98.2Very high8 Ų828 Ų284%0.03515%0.151CC..  trans-94.68176.6-61.7-82.7000113.1L66 N67 L70 F79 M235 P237 W272 L278L66-F81 HydrophobicContact CB-CE1 3.96Å; L66-F81 HydrophobicContact CB-CE2 4.38Å; L66-F81 HydrophobicContact CB-CZ 3.52Å; L66-F81 HydrophobicContact CD1-CE1 4.25Å; N67-F81 HydrophobicContact CB-CE2 4.23Å; L70-F81 HydrophobicContact CD1-CE1 3.72Å; L70-F81 HydrophobicContact CD1-CZ 3.91Å; F79-F81 HydrophobicContact CB-CE2 4.17Å; F79-F81 HydrophobicContact CB-CZ 4.16Å; F81-M235 HydrophobicContact CB-CE 4.35Å; F81-M235 WeakPolarHBondContact O-CE 3.15Å; F81-P237 HydrophobicContact CD1-CB 3.64Å; F81-P237 HydrophobicContact CD1-CG 4.22Å; F81-P237 HydrophobicContact CE1-CB 3.99Å; F81-P237 HydrophobicContact CE1-CG 4.31Å; F81-P237 HydrophobicContact CG-CB 4.34Å; F81-W272 HydrophobicContact CB-CB 4.41Å; F81-W272 CarbonylContact O-C 3.49Å; F81-L278 HydrophobicContact CB-CD1 4.28Å; F81-L278 HydrophobicContact CD1-CD1 4.05Å; F81-L278 HydrophobicContact CD1-CD2 4.41Å; F81-L278 HydrophobicContact CG-CD1 4.28Å
82Q97.2Very high98.2Very high5 Ų527.3 Ų27.32%0.02315%0.146CC..  trans-64.9-40.9179.7-163.8174.9101.200113.7S80 N84 P249 S250 V267 S268 G273S80-Q82 PolarHBondContact OG-N 3.33Å; Q82-N84 PolarHBondContact O-N 2.9Å; Q82-P249 HydrophobicContact CB-CG 4.01Å; Q82-S250 PolarHBondContact NE2-O 2.92Å; Q82-V267 HydrophobicContact CB-CG2 4.2Å; Q82-V267 HydrophobicContact CG-CG2 3.91Å; Q82-V267 VanDerWaalsContact OE1-CG2 3.24Å; Q82-S268 WeakPolarHBondContact O-CB 3.41Å; Q82-S268 PolarHBondContact O-OG 3.24Å; Q82-G273 WeakPolarHBondContact O-CA 3.47Å
83P98.1Very high98.2Very high0 Ų021.2 Ų21.20%012%0.118CC..  trans-71.2124.9-177-10.524.8000112.1Q88 T92 G236 I238 V267P83-Q88 HydrophobicContact CB-CB 3.93Å; P83-T92 HydrophobicContact CG-CG2 3.97Å; P83-T92 WeakPolarHBondContact CG-OG1 3.4Å; P83-G236 WeakPolarHBondContact CB-O 3.36Å; P83-G236 CarbonylContact O-C 3.54Å; P83-G236 PolarHBondContact O-N 2.86Å; P83-I238 HydrophobicContact CG-CG1 4.48Å; P83-I238 HydrophobicContact CG-CG2 4.34Å; P83-V267 HydrophobicContact CG-CG2 4.29Å
84N97.9Very high98.2Very high62 Ų6220.2 Ų20.233%0.33211%0.113SC..  trans-98.714.1-170.962.9-8.2000114.4Q82 G234 M235Q82-N84 PolarHBondContact O-N 2.9Å; N84-G234 CarbonylContact O-C 3.38Å; N84-G234 VanDerWaalsContact O-C 3.31Å; N84-M235 HydrophobicContact CB-SD 4.27Å
85S98.4Very high98.2Very high40 Ų4021.4 Ų21.428%0.2812%0.119SC..SBendtrans-159.9164.7170.868.90000109.9A87 Q88 G89 G236S85-A87 PolarHBondContact O-N 3.12Å; S85-Q88 WeakPolarHBondContact O-CB 3.4Å; S85-Q88 PolarHBondContact O-N 3.42Å; S85-Q88 WeakPolarHBondContact OG-CB 3.3Å; S85-Q88 WeakPolarHBondContact OG-CG 3.37Å; S85-Q88 PolarHBondContact OG-N 3.12Å; S85-Q88 VanDerWaalsContact OG-N 3.15Å; S85-G89 PolarHBondContact O-N 3.12Å; S85-G236 WeakPolarHBondContact O-CA 3.43Å
86G98Very high98.2Very high5 Ų520.9 Ų20.95%0.05211%0.113CC..Hα-helixtrans-59.8-4617800000113Q88 G89 E90 H217G86-Q88 VanDerWaalsContact C-N 3.31Å; G86-Q88 PolarHBondContact O-N 2.94Å; G86-G89 CarbonylContact O-C 3.56Å; G86-G89 VanDerWaalsContact O-CA 3.3Å; G86-G89 WeakPolarHBondContact O-CA 3.42Å; G86-G89 PolarHBondContact O-N 2.99Å; G86-E90 PolarHBondContact O-N 2.95Å; G86-H217 WeakPolarHBondContact CA-CD2 3.4Å; G86-H217 WeakPolarHBondContact CA-NE2 3.22Å; G86-H217 PolarHBondContact O-CD2 3.02Å
87A98.3Very high98.2Very high37 Ų3720.5 Ų20.531%0.30611%0.112SC..Hα-helixtrans-60.6-37.7175.100000112.9S85 G89 E90 Y91 T121 S125S85-A87 PolarHBondContact O-N 3.12Å; A87-G89 VanDerWaalsContact C-N 3.31Å; A87-G89 PolarHBondContact O-N 3.32Å; A87-E90 WeakPolarHBondContact O-CB 3.43Å; A87-E90 PolarHBondContact O-N 2.91Å; A87-Y91 PolarHBondContact O-N 3.38Å; A87-T121 HydrophobicContact CB-CG2 3.94Å; A87-S125 PolarHBondContact O-OG 3.41Å
88Q98.6Very high98.1Very high43 Ų4321.5 Ų21.520%0.20111%0.114CC..Hα-helixtrans-65.1-36.2171.5-81.1-87.679.800111.8P83 S85 G86 T92 V267P83-Q88 HydrophobicContact CB-CB 3.93Å; S85-Q88 WeakPolarHBondContact O-CB 3.4Å; S85-Q88 PolarHBondContact O-N 3.42Å; S85-Q88 WeakPolarHBondContact OG-CB 3.3Å; S85-Q88 WeakPolarHBondContact OG-CG 3.37Å; S85-Q88 PolarHBondContact OG-N 3.12Å; S85-Q88 VanDerWaalsContact OG-N 3.15Å; G86-Q88 VanDerWaalsContact C-N 3.31Å; G86-Q88 PolarHBondContact O-N 2.94Å; Q88-T92 VanDerWaalsContact O-CB 3.3Å; Q88-T92 WeakPolarHBondContact O-CB 3.34Å; Q88-T92 PolarHBondContact O-N 2.9Å; Q88-T92 PolarHBondContact O-OG1 3.35Å; Q88-V267 PolarHBondContact NE2-O 2.63Å
89G98.7Very high98.1Very high0 Ų019.5 Ų19.50%011%0.108CC..Hα-helixtrans-61.6-44.9172.100000112.4S85 G86 A87 T92 G93 G236 I238S85-G89 PolarHBondContact O-N 3.12Å; G86-G89 CarbonylContact O-C 3.56Å; G86-G89 VanDerWaalsContact O-CA 3.3Å; G86-G89 WeakPolarHBondContact O-CA 3.42Å; G86-G89 PolarHBondContact O-N 2.99Å; A87-G89 VanDerWaalsContact C-N 3.31Å; A87-G89 PolarHBondContact O-N 3.32Å; G89-T92 PolarHBondContact O-N 3.44Å; G89-G93 PolarHBondContact O-N 3.31Å; G89-G236 WeakPolarHBondContact CA-O 3.37Å; G89-I238 WeakPolarHBondContact O-CG2 3.11Å
90E98.8Very high98.2Very high4 Ų421.2 Ų21.22%0.01912%0.115CC..Hα-helixtrans-57.9-52.7173.1-63.4162.4-149.800112.5G86 A87 T92 G93 L94 T121 N122 S125 M164 Y193 H217G86-E90 PolarHBondContact O-N 2.95Å; A87-E90 WeakPolarHBondContact O-CB 3.43Å; A87-E90 PolarHBondContact O-N 2.91Å; E90-T92 VanDerWaalsContact C-N 3.29Å; E90-T92 PolarHBondContact O-N 2.92Å; E90-G93 PolarHBondContact O-N 2.85Å; E90-L94 WeakPolarHBondContact O-CG 3.38Å; E90-L94 PolarHBondContact O-N 3.29Å; E90-T121 VanDerWaalsContact OE1-CB 3.31Å; E90-T121 WeakPolarHBondContact OE1-CB 3.4Å; E90-T121 PolarHBondContact OE1-OG1 3.37Å; E90-T121 WeakPolarHBondContact OE2-CB 3.23Å; E90-T121 PolarHBondContact OE2-OG1 2.84Å; E90-N122 WeakPolarHBondContact OE2-CA 3.48Å; E90-N122 PolarHBondContact OE2-N 3.21Å; E90-S125 WeakPolarHBondContact CB-OG 3.46Å; E90-S125 WeakPolarHBondContact OE2-CB 3.4Å; E90-S125 PolarHBondContact OE2-OG 3.4Å; E90-M164 HydrophobicContact CB-CE 4.04Å; E90-M164 HydrophobicContact CG-CE 4.06Å; E90-Y193 WeakPolarHBondContact CA-OH 3.38Å; E90-Y193 HydrophobicContact CB-CE1 4.49Å; E90-Y193 HydrophobicContact CG-CE1 4.02Å; E90-Y193 WeakPolarHBondContact CG-OH 3.46Å; E90-Y193 PolarHBondContact N-OH 3.39Å; E90-H217 IonicContact OE1-CE1 3.5Å
91Y98.8Very high98.2Very high56 Ų5620.6 Ų20.622%0.2211%0.11CC..Hα-helixtrans-55.3-47.3176.7173-117.3000111.4A87 L94 L95 M128 A129 V267A87-Y91 PolarHBondContact O-N 3.38Å; Y91-L94 PolarHBondContact O-N 2.94Å; Y91-L95 HydrophobicContact CD1-CD1 4.09Å; Y91-L95 HydrophobicContact CD2-CD1 4.49Å; Y91-L95 HydrophobicContact CD2-CG 4.26Å; Y91-L95 HydrophobicContact CE1-CD1 3.49Å; Y91-L95 VanDerWaalsContact CE1-CD1 3.49Å; Y91-L95 HydrophobicContact CE1-CG 4.27Å; Y91-L95 HydrophobicContact CE2-CD1 3.95Å; Y91-L95 HydrophobicContact CE2-CD2 4.02Å; Y91-L95 HydrophobicContact CE2-CG 3.88Å; Y91-L95 VanDerWaalsContact CZ-CD1 3.42Å; Y91-L95 WeakPolarHBondContact O-CG 3.45Å; Y91-L95 PolarHBondContact O-N 2.69Å; Y91-M128 HydrophobicContact CD2-CB 4.1Å; Y91-M128 HydrophobicContact CD2-CG 3.89Å; Y91-M128 HydrophobicContact CD2-SD 4.09Å; Y91-M128 HydrophobicContact CE2-CB 4.29Å; Y91-M128 HydrophobicContact CE2-CG 3.77Å; Y91-M128 HydrophobicContact CE2-SD 4.27Å; Y91-M128 HydrophobicContact CG-SD 4.32Å; Y91-A129 HydrophobicContact CD2-CB 4.09Å; Y91-A129 HydrophobicContact CE2-CB 4.29Å; Y91-V267 HydrophobicContact CD1-CG1 4.29Å; Y91-V267 HydrophobicContact CE1-CG1 4.13Å
92T98.5Very high98.2Very high0 Ų023 Ų230%013%0.127CC..Hα-helixtrans-64-44.7180-52.50000111.9P83 Q88 G89 E90 L94 L95 C96 I238 P249 V267P83-T92 HydrophobicContact CG-CG2 3.97Å; P83-T92 WeakPolarHBondContact CG-OG1 3.4Å; Q88-T92 VanDerWaalsContact O-CB 3.3Å; Q88-T92 WeakPolarHBondContact O-CB 3.34Å; Q88-T92 PolarHBondContact O-N 2.9Å; Q88-T92 PolarHBondContact O-OG1 3.35Å; G89-T92 PolarHBondContact O-N 3.44Å; E90-T92 VanDerWaalsContact C-N 3.29Å; E90-T92 PolarHBondContact O-N 2.92Å; T92-L94 VanDerWaalsContact C-N 3.32Å; T92-L94 PolarHBondContact O-N 2.9Å; T92-L95 WeakPolarHBondContact O-CB 3.39Å; T92-L95 PolarHBondContact O-N 3.32Å; T92-C96 PolarHBondContact O-N 3.3Å; T92-C96 PolarHBondContact O-SG 2.67Å; T92-I238 HydrophobicContact CG2-CD1 3.51Å; T92-I238 HydrophobicContact CG2-CG1 4.26Å; T92-P249 HydrophobicContact CG2-CB 4.22Å; T92-P249 HydrophobicContact CG2-CG 3.69Å; T92-V267 HydrophobicContact CG2-CG1 4.11Å; T92-V267 HydrophobicContact CG2-CG2 4.12Å; T92-V267 WeakPolarHBondContact OG1-CG2 3.25Å
93G98.7Very high98.2Very high0 Ų026.2 Ų26.20%015%0.15CC..Hα-helixtrans-60.9-42.7178.700000111.9G89 E90 C96 V97G89-G93 PolarHBondContact O-N 3.31Å; E90-G93 PolarHBondContact O-N 2.85Å; G93-C96 WeakPolarHBondContact O-CB 3.42Å; G93-C96 PolarHBondContact O-N 3.15Å; G93-V97 WeakPolarHBondContact O-CG2 3.36Å; G93-V97 PolarHBondContact O-N 3.22Å
94L98.8Very high98.1Very high0 Ų030.6 Ų30.60%017%0.169CC..Hα-helixtrans-67.5-35.5175-66.9-179.7000112.8E90 Y91 T92 V97 K98 C126 A129 F131 C162 M164E90-L94 WeakPolarHBondContact O-CG 3.38Å; E90-L94 PolarHBondContact O-N 3.29Å; Y91-L94 PolarHBondContact O-N 2.94Å; T92-L94 VanDerWaalsContact C-N 3.32Å; T92-L94 PolarHBondContact O-N 2.9Å; L94-V97 PolarHBondContact O-N 3.4Å; L94-K98 WeakPolarHBondContact O-CB 3.3Å; L94-K98 PolarHBondContact O-N 3.09Å; L94-C126 VanDerWaalsContact CD1-CA 3.47Å; L94-C126 HydrophobicContact CD1-CB 4.13Å; L94-A129 HydrophobicContact CB-CB 3.69Å; L94-A129 HydrophobicContact CD1-CB 4.21Å; L94-F131 HydrophobicContact CB-CD2 4.44Å; L94-F131 HydrophobicContact CB-CE2 4.19Å; L94-C162 HydrophobicContact CD2-CB 4.22Å; L94-M164 HydrophobicContact CD1-CE 4.29Å; L94-M164 HydrophobicContact CD1-SD 3.86Å; L94-M164 HydrophobicContact CD2-CG 4.26Å; L94-M164 HydrophobicContact CD2-SD 4.34Å; L94-M164 HydrophobicContact CG-SD 4.49Å
95L98.5Very high98.1Very high25 Ų2529.7 Ų29.713%0.13118%0.175CC..Hα-helixtrans-63.8-40171.6-74.8-175.4000112.1Y91 T92 K98 A99 A129 C264 V267Y91-L95 HydrophobicContact CD1-CD1 4.09Å; Y91-L95 HydrophobicContact CD2-CD1 4.49Å; Y91-L95 HydrophobicContact CD2-CG 4.26Å; Y91-L95 HydrophobicContact CE1-CD1 3.49Å; Y91-L95 VanDerWaalsContact CE1-CD1 3.49Å; Y91-L95 HydrophobicContact CE1-CG 4.27Å; Y91-L95 HydrophobicContact CE2-CD1 3.95Å; Y91-L95 HydrophobicContact CE2-CD2 4.02Å; Y91-L95 HydrophobicContact CE2-CG 3.88Å; Y91-L95 VanDerWaalsContact CZ-CD1 3.42Å; Y91-L95 WeakPolarHBondContact O-CG 3.45Å; Y91-L95 PolarHBondContact O-N 2.69Å; T92-L95 WeakPolarHBondContact O-CB 3.39Å; T92-L95 PolarHBondContact O-N 3.32Å; L95-K98 PolarHBondContact O-N 3.38Å; L95-A99 WeakPolarHBondContact O-CB 3.5Å; L95-A99 PolarHBondContact O-N 2.82Å; L95-A129 HydrophobicContact CD2-CB 4.43Å; L95-C264 HydrophobicContact CB-CB 3.86Å; L95-V267 HydrophobicContact CD1-CG1 3.95Å
96C98.1Very high98.1Very high0 Ų029.7 Ų29.70%017%0.17CC..Hα-helixtrans-60.9-46.6173.6-65.90000111.1T92 G93 K98 A99 Y100 F247T92-C96 PolarHBondContact O-N 3.3Å; T92-C96 PolarHBondContact O-SG 2.67Å; G93-C96 WeakPolarHBondContact O-CB 3.42Å; G93-C96 PolarHBondContact O-N 3.15Å; C96-K98 PolarHBondContact O-N 2.61Å; C96-A99 PolarHBondContact O-N 3Å; C96-Y100 WeakPolarHBondContact O-CB 3.48Å; C96-Y100 PolarHBondContact O-N 3.05Å; C96-F247 HydrophobicContact CB-CB 4.35Å; C96-F247 PolarHBondContact SG-O 3.36Å; C96-F247 VanDerWaalsContact SG-O 3.36Å
97V98.6Very high98Very high0 Ų035 Ų350%019%0.194CC..Hα-helixtrans-58.9-47.1175.11690000110.7G93 L94 A99 Y100 L101 F131 C162 Q191 V215 L244G93-V97 WeakPolarHBondContact O-CG2 3.36Å; G93-V97 PolarHBondContact O-N 3.22Å; L94-V97 PolarHBondContact O-N 3.4Å; V97-A99 PolarHBondContact O-N 3.03Å; V97-Y100 WeakPolarHBondContact O-CB 3.35Å; V97-Y100 PolarHBondContact O-N 2.96Å; V97-L101 HydrophobicContact CG1-CD1 3.89Å; V97-L101 HydrophobicContact CG1-CG 4.33Å; V97-L101 VanDerWaalsContact O-CG 3.28Å; V97-L101 WeakPolarHBondContact O-CG 3.3Å; V97-L101 PolarHBondContact O-N 3.42Å; V97-F131 HydrophobicContact CG1-CZ 4.17Å; V97-C162 HydrophobicContact CG1-CB 4.23Å; V97-Q191 HydrophobicContact CG1-CB 3.83Å; V97-Q191 HydrophobicContact CG1-CG 3.85Å; V97-Q191 HydrophobicContact CG2-CB 3.83Å; V97-Q191 HydrophobicContact CG2-CG 4.2Å; V97-V215 HydrophobicContact CG2-CG1 3.99Å; V97-L244 HydrophobicContact CG2-CD1 4.34Å
98K98.1Very high98Very high81 Ų8138 Ų3835%0.35220%0.201SC..Hα-helixtrans-59.4-46.2178.2-172.2176.1-171.9173.40112.1L94 L95 C96 Y100 L101 C102 A129 F131L94-K98 WeakPolarHBondContact O-CB 3.3Å; L94-K98 PolarHBondContact O-N 3.09Å; L95-K98 PolarHBondContact O-N 3.38Å; C96-K98 PolarHBondContact O-N 2.61Å; K98-Y100 VanDerWaalsContact C-N 3.35Å; K98-L101 PolarHBondContact O-N 3.01Å; K98-C102 WeakPolarHBondContact O-CB 3.46Å; K98-C102 PolarHBondContact O-N 3.17Å; K98-C102 PolarHBondContact O-SG 3.27Å; K98-A129 WeakPolarHBondContact CD-O 3.49Å; K98-A129 PolarHBondContact NZ-O 3.42Å; K98-F131 HydrophobicContact CB-CE2 4Å; K98-F131 HydrophobicContact CB-CZ 4.12Å
99A97.5Very high98Very high23 Ų2337.5 Ų37.519%0.1920%0.198CC..Hα-helixtrans-63.9-39.9178.500000112L95 C96 V97 C102 S103 F247 C264L95-A99 WeakPolarHBondContact O-CB 3.5Å; L95-A99 PolarHBondContact O-N 2.82Å; C96-A99 PolarHBondContact O-N 3Å; V97-A99 PolarHBondContact O-N 3.03Å; A99-C102 PolarHBondContact O-N 3.39Å; A99-S103 PolarHBondContact O-N 3.48Å; A99-F247 HydrophobicContact CB-CB 4.02Å; A99-F247 HydrophobicContact CB-CD1 3.68Å; A99-F247 HydrophobicContact CB-CG 4.13Å; A99-C264 HydrophobicContact CB-CB 4.15Å
100Y98.1Very high98Very high42 Ų4239.9 Ų39.917%0.16521%0.212CC..Hα-helixtrans-62-44.1172.8167.2-107.9000113C96 V97 K98 S103 K104 Q191 H243 L244 F247C96-Y100 WeakPolarHBondContact O-CB 3.48Å; C96-Y100 PolarHBondContact O-N 3.05Å; V97-Y100 WeakPolarHBondContact O-CB 3.35Å; V97-Y100 PolarHBondContact O-N 2.96Å; K98-Y100 VanDerWaalsContact C-N 3.35Å; Y100-S103 PolarHBondContact O-N 3.48Å; Y100-S103 PolarHBondContact O-OG 3.47Å; Y100-K104 HydrophobicContact CE1-CD 4.23Å; Y100-K104 VanDerWaalsContact CE1-CE 3.43Å; Y100-K104 VanDerWaalsContact CE1-NZ 3.34Å; Y100-K104 HydrophobicContact CE2-CD 3.84Å; Y100-K104 HydrophobicContact CE2-CG 4.4Å; Y100-K104 PolarHBondContact O-N 3.39Å; Y100-K104 WeakPolarHBondContact OH-CE 3.45Å; Y100-K104 PolarHBondContact OH-NZ 2.84Å; Y100-K104 VanDerWaalsContact OH-NZ 3.08Å; Y100-Q191 HydrophobicContact CD1-CG 4.2Å; Y100-Q191 HydrophobicContact CE1-CG 4.24Å; Y100-H243 HydrophobicContact CE2-CB 4.43Å; Y100-H243 AromaticContact CE2-CD2 3.95Å; Y100-H243 AromaticContact CZ-CD2 3.86Å; Y100-L244 HydrophobicContact CD1-CD2 3.98Å; Y100-L244 HydrophobicContact CD2-CD2 4.27Å; Y100-L244 HydrophobicContact CG-CD2 3.66Å; Y100-F247 HydrophobicContact CD2-CD2 4.37Å; Y100-F247 AromaticContact CD2-CE2 3.68Å; Y100-F247 HydrophobicContact CD2-CE2 3.68Å; Y100-F247 HydrophobicContact CD2-CZ 4.23Å; Y100-F247 HydrophobicContact CG-CE2 4.23Å
101L98Very high98Very high2 Ų240.1 Ų40.11%0.0121%0.213CC..Hα-helixtrans-63.8-43.8176.5-66.8172.4000110.8V97 K98 S103 K104 G105 E106 R109V97-L101 HydrophobicContact CG1-CD1 3.89Å; V97-L101 HydrophobicContact CG1-CG 4.33Å; V97-L101 VanDerWaalsContact O-CG 3.28Å; V97-L101 WeakPolarHBondContact O-CG 3.3Å; V97-L101 PolarHBondContact O-N 3.42Å; K98-L101 PolarHBondContact O-N 3.01Å; L101-S103 VanDerWaalsContact C-N 3.33Å; L101-S103 PolarHBondContact O-N 3.23Å; L101-K104 PolarHBondContact O-N 3.08Å; L101-G105 PolarHBondContact O-N 3.45Å; L101-E106 HydrophobicContact CB-CB 4.41Å; L101-E106 HydrophobicContact CD2-CB 4.41Å; L101-E106 WeakPolarHBondContact O-CA 3.46Å; L101-E106 PolarHBondContact O-N 3.11Å; L101-R109 HydrophobicContact CD1-CB 4.06Å
102C97.1Very high98Very high58 Ų5837.5 Ų37.539%0.39220%0.203SC..Hα-helixtrans-58.7-40.8174.1-710000112.5K98 A99 K104 G105K98-C102 WeakPolarHBondContact O-CB 3.46Å; K98-C102 PolarHBondContact O-N 3.17Å; K98-C102 PolarHBondContact O-SG 3.27Å; A99-C102 PolarHBondContact O-N 3.39Å; C102-K104 PolarHBondContact O-N 3.33Å; C102-G105 PolarHBondContact O-N 3.16Å
103S96.8Very high98Very high73 Ų7337.5 Ų37.551%0.5120%0.203SC..Hα-helixtrans-65.8-20.6-179.273.80000113.5A99 Y100 L101 F247A99-S103 PolarHBondContact O-N 3.48Å; Y100-S103 PolarHBondContact O-N 3.48Å; Y100-S103 PolarHBondContact O-OG 3.47Å; L101-S103 VanDerWaalsContact C-N 3.33Å; L101-S103 PolarHBondContact O-N 3.23Å; S103-F247 WeakPolarHBondContact OG-CZ 3.44Å
104K96.5Very high98Very high92 Ų9237.7 Ų37.740%0.420%0.204SC..THydrogen-bonded Turntrans-95.62.8174.5-61.2-174-59.2168.60113.4Y100 L101 C102 E106Y100-K104 HydrophobicContact CE1-CD 4.23Å; Y100-K104 VanDerWaalsContact CE1-CE 3.43Å; Y100-K104 VanDerWaalsContact CE1-NZ 3.34Å; Y100-K104 HydrophobicContact CE2-CD 3.84Å; Y100-K104 HydrophobicContact CE2-CG 4.4Å; Y100-K104 PolarHBondContact O-N 3.39Å; Y100-K104 WeakPolarHBondContact OH-CE 3.45Å; Y100-K104 PolarHBondContact OH-NZ 2.84Å; Y100-K104 VanDerWaalsContact OH-NZ 3.08Å; L101-K104 PolarHBondContact O-N 3.08Å; C102-K104 PolarHBondContact O-N 3.33Å; K104-E106 VanDerWaalsContact C-N 3.28Å; K104-E106 HydrophobicContact CB-CG 4.14Å; K104-E106 WeakPolarHBondContact CE-OE2 3.42Å; K104-E106 IonicContact NZ-OE2 3.11Å; K104-E106 PolarHBondContact NZ-OE2 3.29Å
105G97.7Very high97.9Very high43 Ų4337.9 Ų37.944%0.44321%0.205SC..THydrogen-bonded Turntrans74.715.6-173.700000114.2L101 C102 Q107L101-G105 PolarHBondContact O-N 3.45Å; C102-G105 PolarHBondContact O-N 3.16Å; G105-Q107 VanDerWaalsContact CA-OE1 3.27Å; G105-Q107 PolarHBondContact O-OE1 3.47Å
106E97.8Very high97.7Very high40 Ų4041 Ų4119%0.18722%0.222CC..  trans-99.526.1-178-58-167.1116.800113L101 K104 H108 R109L101-E106 HydrophobicContact CB-CB 4.41Å; L101-E106 HydrophobicContact CD2-CB 4.41Å; L101-E106 WeakPolarHBondContact O-CA 3.46Å; L101-E106 PolarHBondContact O-N 3.11Å; K104-E106 VanDerWaalsContact C-N 3.28Å; K104-E106 HydrophobicContact CB-CG 4.14Å; K104-E106 WeakPolarHBondContact CE-OE2 3.42Å; K104-E106 IonicContact NZ-OE2 3.11Å; K104-E106 PolarHBondContact NZ-OE2 3.29Å; E106-H108 PolarHBondContact O-N 2.88Å; E106-R109 HydrophobicContact CB-CG 4.28Å; E106-R109 VanDerWaalsContact CD-NE 3.27Å; E106-R109 WeakPolarHBondContact O-CB 3.47Å; E106-R109 PolarHBondContact O-N 2.86Å; E106-R109 IonicContact OE1-CZ 3.5Å; E106-R109 IonicContact OE1-NE 3.43Å; E106-R109 PolarHBondContact OE1-NE 2.94Å; E106-R109 IonicContact OE1-NH2 2.81Å; E106-R109 PolarHBondContact OE1-NH2 2.73Å; E106-R109 VanDerWaalsContact OE1-NH2 3.11Å; E106-R109 IonicContact OE2-NE 2.94Å
107Q97Very high97.5Very high116 Ų11641.5 Ų41.554%0.54223%0.225SC..THydrogen-bonded Turntrans-58.7-12.9-178.763.2-81.4-7.200115.3G105 R109G105-Q107 VanDerWaalsContact CA-OE1 3.27Å; G105-Q107 PolarHBondContact O-OE1 3.47Å; Q107-R109 PolarHBondContact O-N 2.73Å
108H97.8Very high97.3Very high100 Ų10042.1 Ų42.146%0.46323%0.231SC..THydrogen-bonded Turntrans-75.7-9.4174.662.9-85.3000113.1E106 T110 K158E106-H108 PolarHBondContact O-N 2.88Å; H108-T110 PolarHBondContact O-N 3.43Å; H108-K158 PolarHBondContact CD2-O 3.31Å; H108-K158 VanDerWaalsContact CD2-O 3.24Å; H108-K158 PolarHBondContact NE2-O 3.16Å
109R98.5Very high97.2Very high33 Ų3341 Ų4113%0.12523%0.226CC..  trans-81.377.8178.3-68.2179.7179.4-81.83.6111.8L101 E106 Q107 S157 Q159 L160 C188L101-R109 HydrophobicContact CD1-CB 4.06Å; E106-R109 HydrophobicContact CB-CG 4.28Å; E106-R109 VanDerWaalsContact CD-NE 3.27Å; E106-R109 WeakPolarHBondContact O-CB 3.47Å; E106-R109 PolarHBondContact O-N 2.86Å; E106-R109 IonicContact OE1-CZ 3.5Å; E106-R109 IonicContact OE1-NE 3.43Å; E106-R109 PolarHBondContact OE1-NE 2.94Å; E106-R109 IonicContact OE1-NH2 2.81Å; E106-R109 PolarHBondContact OE1-NH2 2.73Å; E106-R109 VanDerWaalsContact OE1-NH2 3.11Å; E106-R109 IonicContact OE2-NE 2.94Å; Q107-R109 PolarHBondContact O-N 2.73Å; R109-S157 PolarHBondContact NH1-O 3.07Å; R109-S157 VanDerWaalsContact NH1-O 3.14Å; R109-Q159 CarbonylContact C-O 3.1Å; R109-Q159 WeakPolarHBondContact CA-O 3.22Å; R109-L160 WeakPolarHBondContact CD-O 3.36Å; R109-L160 PolarHBondContact NH1-O 3.29Å; R109-L160 VanDerWaalsContact NH1-O 3.16Å; R109-C188 PolarHBondContact NH1-O 3.41Å; R109-C188 PolarHBondContact NH2-O 3.04Å
110T98.2Very high97.1Very high49 Ų4942.1 Ų42.130%0.30124%0.241SC..  trans-102.9-1.3-174.1560000114.5H108 F131 T132 Q159H108-T110 PolarHBondContact O-N 3.43Å; T110-F131 CarbonylContact O-C 3.56Å; T110-F131 VanDerWaalsContact O-CA 3.29Å; T110-F131 WeakPolarHBondContact O-CA 3.45Å; T110-F131 WeakPolarHBondContact O-CB 3.39Å; T110-F131 WeakPolarHBondContact O-CD1 3.35Å; T110-T132 PolarHBondContact O-N 2.93Å; T110-Q159 PolarHBondContact N-O 3.27Å
111I98.7Very high97Very high10 Ų1041.9 Ų41.95%0.05124%0.244CC..EExtended strand (participates in β ladder)trans-81.9131.7178.5-61.3-69.7000109.9L113 T132 V134 N156 Q159 L160 G161 C162I111-L113 HydrophobicContact CG2-CD2 4.14Å; I111-T132 HydrophobicContact CD1-CG2 4.17Å; I111-V134 HydrophobicContact CD1-CG2 3.95Å; I111-V134 HydrophobicContact CG2-CB 4.18Å; I111-V134 HydrophobicContact CG2-CG2 3.8Å; I111-N156 HydrophobicContact CB-CB 4.32Å; I111-N156 HydrophobicContact CG1-CB 4.21Å; I111-N156 HydrophobicContact CG2-CB 3.91Å; I111-Q159 HydrophobicContact CB-CB 4.48Å; I111-Q159 WeakPolarHBondContact CB-O 3.2Å; I111-Q159 HydrophobicContact CG1-CB 3.7Å; I111-Q159 PolarHBondContact N-O 3.04Å; I111-L160 HydrophobicContact CG2-CD1 4.39Å; I111-G161 PolarHBondContact O-N 3.45Å; I111-C162 PolarHBondContact O-N 2.83Å
112C98.8Very high97Very high0 Ų041.8 Ų41.80%024%0.243CC..EExtended strand (participates in β ladder)trans-120.8117.1171.1-178.90000109.9C126 F131 T132 A133 V134 C162C112-C126 VanDerWaalsContact CB-SG 3.51Å; C112-F131 HydrophobicContact CB-CB 3.8Å; C112-F131 HydrophobicContact CB-CD1 4.04Å; C112-F131 HydrophobicContact CB-CG 4.11Å; C112-T132 PolarHBondContact N-O 3.11Å; C112-A133 WeakPolarHBondContact O-CA 3.48Å; C112-V134 PolarHBondContact O-N 3.44Å; C112-C162 CarbonylContact C-O 3.56Å; C112-C162 WeakPolarHBondContact CA-O 3.44Å
113L98.8Very high97.1Very high0 Ų040.6 Ų40.60%024%0.235CC..EExtended strand (participates in β ladder)trans-79.4131.9176-60.5-178.3000110.1I111 V134 V136 L149 K152 V153 L160 C162 M163 M164 I185I111-L113 HydrophobicContact CG2-CD2 4.14Å; L113-V134 WeakPolarHBondContact CA-O 3.4Å; L113-V134 HydrophobicContact CD2-CB 3.85Å; L113-V134 HydrophobicContact CD2-CG1 3.8Å; L113-V136 HydrophobicContact CB-CG2 3.94Å; L113-V136 HydrophobicContact CD2-CG2 4.29Å; L113-V136 HydrophobicContact CG-CG2 4.46Å; L113-L149 HydrophobicContact CD1-CD1 3.96Å; L113-K152 HydrophobicContact CD2-CB 3.94Å; L113-V153 HydrophobicContact CD1-CG2 3.64Å; L113-L160 HydrophobicContact CD1-CD1 3.83Å; L113-L160 HydrophobicContact CD1-CD2 4.45Å; L113-L160 HydrophobicContact CD2-CD1 4.5Å; L113-L160 HydrophobicContact CG-CD1 3.65Å; L113-C162 PolarHBondContact N-O 2.96Å; L113-M163 HydrophobicContact CB-CB 4.14Å; L113-M163 HydrophobicContact CB-CG 3.94Å; L113-M163 CarbonylContact O-C 3.57Å; L113-M163 VanDerWaalsContact O-CA 3.32Å; L113-M163 WeakPolarHBondContact O-CA 3.37Å; L113-M164 PolarHBondContact O-N 3.44Å; L113-I185 HydrophobicContact CD1-CD1 3.82Å
114I98.6Very high97.1Very high4 Ų439.2 Ų39.22%0.02123%0.227CC..EExtended strand (participates in β ladder)trans-136.3120.1-177.9-55.4-176.2000109A118 N122 P123 C126 A133 V134 N135 V136 M164I114-A118 HydrophobicContact CG2-CB 3.53Å; I114-N122 HydrophobicContact CG2-CB 4.28Å; I114-P123 HydrophobicContact CD1-CB 4.09Å; I114-C126 HydrophobicContact CD1-CB 3.74Å; I114-A133 HydrophobicContact CD1-CB 3.91Å; I114-V134 PolarHBondContact N-O 2.65Å; I114-N135 CarbonylContact O-C 3.55Å; I114-N135 VanDerWaalsContact O-CA 3.31Å; I114-N135 WeakPolarHBondContact O-CA 3.49Å; I114-V136 PolarHBondContact O-N 2.98Å; I114-M164 HydrophobicContact CD1-SD 4.12Å; I114-M164 HydrophobicContact CG1-CB 4.4Å; I114-M164 HydrophobicContact CG1-SD 4.48Å
115P97.8Very high97.2Very high5 Ų535.1 Ų35.13%0.03221%0.21CC..EExtended strand (participates in β ladder)trans-59.3143.9173.4-24.434.6000112.3S117 A118 V136 I144 M163 M164P115-S117 PolarHBondContact O-N 3.24Å; P115-A118 WeakPolarHBondContact O-CB 3.45Å; P115-A118 PolarHBondContact O-N 3.48Å; P115-V136 CarbonylContact C-O 3.55Å; P115-V136 VanDerWaalsContact CA-O 3.32Å; P115-V136 WeakPolarHBondContact CA-O 3.47Å; P115-I144 HydrophobicContact CB-CG1 4.23Å; P115-I144 HydrophobicContact CG-CD1 3.81Å; P115-I144 HydrophobicContact CG-CG1 3.96Å; P115-M163 HydrophobicContact CG-CE 4.24Å; P115-M164 WeakPolarHBondContact CD-O 3.42Å
116D94.3Very high97.3Very high91 Ų9133 Ų3349%0.48719%0.189SC..THydrogen-bonded Turntrans-59.7-20176.9-77.5-27.8000113.5N135 V136 T138D116-N135 WeakPolarHBondContact OD1-CB 3.38Å; D116-N135 PolarHBondContact OD1-ND2 2.49Å; D116-V136 PolarHBondContact N-O 3.48Å; D116-T138 HydrophobicContact CB-CG2 4.44Å
117S92.4Very high97.3Very high9 Ų939.3 Ų39.36%0.06321%0.211CC..THydrogen-bonded Turntrans-80.3-14.9175.558.10000113.7P115 T170P115-S117 PolarHBondContact O-N 3.24Å; S117-T170 WeakPolarHBondContact CB-OG1 3.32Å; S117-T170 WeakPolarHBondContact O-CB 3.33Å; S117-T170 WeakPolarHBondContact O-CG2 3.4Å; S117-T170 PolarHBondContact O-OG1 3.14Å
118A95.6Very high97.3Very high13 Ų1339.9 Ų39.911%0.10722%0.216CC..SBendtrans-57.5153.8-172.700000113.1I114 P115 N122I114-A118 HydrophobicContact CG2-CB 3.53Å; P115-A118 WeakPolarHBondContact O-CB 3.45Å; P115-A118 PolarHBondContact O-N 3.48Å; A118-N122 HydrophobicContact CB-CB 4.15Å
119H95.7Very high97.4Very high57 Ų5735.2 Ų35.226%0.26419%0.194SC..  trans-60.7145.7174.1-167.3-96.8000111.1T121 N122 P123 F364H119-T121 WeakPolarHBondContact ND1-CG2 3.46Å; H119-T121 PolarHBondContact ND1-N 2.91Å; H119-T121 PolarHBondContact ND1-OG1 2.74Å; H119-T121 PolarHBondContact O-N 2.91Å; H119-N122 WeakPolarHBondContact O-CB 3.45Å; H119-N122 PolarHBondContact O-N 2.83Å; H119-N122 PolarHBondContact O-OD1 3.48Å; H119-P123 VanDerWaalsContact O-CD 3.23Å; H119-P123 WeakPolarHBondContact O-CD 3.33Å; H119-F364 HydrophobicContact CB-CZ 4.4Å; H119-F364 AromaticContact CD2-CE1 3.81Å; H119-F364 AromaticContact CD2-CZ 3.79Å
120G94.6Very high97.3Very high48 Ų4835.6 Ų35.650%0.49521%0.208SC..THydrogen-bonded Turntrans-62.7-16.7-175.400000114.3P123G120-P123 WeakPolarHBondContact O-CD 3.27Å
121T96.7Very high97.4Very high36 Ų3633.8 Ų33.822%0.22120%0.196CC..Hα-helixtrans-68.3-36.6171.450.10000111.5A87 E90 H119 A124 S125A87-T121 HydrophobicContact CB-CG2 3.94Å; E90-T121 VanDerWaalsContact OE1-CB 3.31Å; E90-T121 WeakPolarHBondContact OE1-CB 3.4Å; E90-T121 PolarHBondContact OE1-OG1 3.37Å; E90-T121 WeakPolarHBondContact OE2-CB 3.23Å; E90-T121 PolarHBondContact OE2-OG1 2.84Å; H119-T121 WeakPolarHBondContact ND1-CG2 3.46Å; H119-T121 PolarHBondContact ND1-N 2.91Å; H119-T121 PolarHBondContact ND1-OG1 2.74Å; H119-T121 PolarHBondContact O-N 2.91Å; T121-A124 CarbonylContact O-C 3.5Å; T121-A124 WeakPolarHBondContact O-CA 3.44Å; T121-A124 WeakPolarHBondContact O-CB 3.23Å; T121-A124 PolarHBondContact O-N 2.96Å; T121-S125 WeakPolarHBondContact O-CB 3.38Å; T121-S125 PolarHBondContact O-N 3.18Å; T121-S125 PolarHBondContact O-OG 3Å
122N98.4Very high97.3Very high0 Ų037 Ų370%022%0.217CC..Hα-helixtrans-55.2-55.6-177.1-58.727.9000112.5E90 I114 A118 H119 A124 S125 C126 M164E90-N122 WeakPolarHBondContact OE2-CA 3.48Å; E90-N122 PolarHBondContact OE2-N 3.21Å; I114-N122 HydrophobicContact CG2-CB 4.28Å; A118-N122 HydrophobicContact CB-CB 4.15Å; H119-N122 WeakPolarHBondContact O-CB 3.45Å; H119-N122 PolarHBondContact O-N 2.83Å; H119-N122 PolarHBondContact O-OD1 3.48Å; N122-A124 VanDerWaalsContact C-N 3.27Å; N122-A124 PolarHBondContact O-N 2.7Å; N122-S125 PolarHBondContact O-N 3.32Å; N122-C126 WeakPolarHBondContact O-CB 3.31Å; N122-C126 PolarHBondContact O-N 3.09Å; N122-M164 HydrophobicContact CB-CE 3.74Å; N122-M164 HydrophobicContact CB-SD 3.91Å
123P97.8Very high97.3Very high34 Ų3438.5 Ų38.522%0.22123%0.229CC..Hα-helixtrans-69.5-21.5176.828.7-36000113.6I114 H119 G120 R127I114-P123 HydrophobicContact CD1-CB 4.09Å; H119-P123 VanDerWaalsContact O-CD 3.23Å; H119-P123 WeakPolarHBondContact O-CD 3.33Å; G120-P123 WeakPolarHBondContact O-CD 3.27Å; P123-R127 WeakPolarHBondContact O-CG 3.2Å; P123-R127 PolarHBondContact O-N 3.44Å; P123-R127 PolarHBondContact O-NE 3.14Å; P123-R127 VanDerWaalsContact O-NE 3.08Å
124A98.3Very high97.3Very high43 Ų4339.8 Ų39.836%0.35524%0.237SC..Hα-helixtrans-73.7-50.217400000111.1T121 N122 C126 R127 M128T121-A124 CarbonylContact O-C 3.5Å; T121-A124 WeakPolarHBondContact O-CA 3.44Å; T121-A124 WeakPolarHBondContact O-CB 3.23Å; T121-A124 PolarHBondContact O-N 2.96Å; N122-A124 VanDerWaalsContact C-N 3.27Å; N122-A124 PolarHBondContact O-N 2.7Å; A124-C126 VanDerWaalsContact C-N 3.34Å; A124-C126 PolarHBondContact O-N 3.33Å; A124-R127 PolarHBondContact O-N 2.83Å; A124-M128 WeakPolarHBondContact O-CB 3.44Å; A124-M128 PolarHBondContact O-N 3.42Å
125S98.7Very high97.3Very high6 Ų644 Ų444%0.04226%0.259CS..Hα-helixtrans-60.1-42.1175.5-57.70000111.5A87 E90 T121 N122 M128 A129A87-S125 PolarHBondContact O-OG 3.41Å; E90-S125 WeakPolarHBondContact CB-OG 3.46Å; E90-S125 WeakPolarHBondContact OE2-CB 3.4Å; E90-S125 PolarHBondContact OE2-OG 3.4Å; T121-S125 WeakPolarHBondContact O-CB 3.38Å; T121-S125 PolarHBondContact O-N 3.18Å; T121-S125 PolarHBondContact O-OG 3Å; N122-S125 PolarHBondContact O-N 3.32Å; S125-M128 PolarHBondContact O-N 2.83Å; S125-A129 WeakPolarHBondContact O-CB 3.31Å; S125-A129 PolarHBondContact O-N 2.97Å
126C98.4Very high97.3Very high0 Ų043.8 Ų43.80%026%0.258CS..Hα-helixtrans-54.6-52.6173.6170.30000112.6L94 C112 I114 N122 A124 M128 A129 G130 F131 M164L94-C126 VanDerWaalsContact CD1-CA 3.47Å; L94-C126 HydrophobicContact CD1-CB 4.13Å; C112-C126 VanDerWaalsContact CB-SG 3.51Å; I114-C126 HydrophobicContact CD1-CB 3.74Å; N122-C126 WeakPolarHBondContact O-CB 3.31Å; N122-C126 PolarHBondContact O-N 3.09Å; A124-C126 VanDerWaalsContact C-N 3.34Å; A124-C126 PolarHBondContact O-N 3.33Å; C126-M128 PolarHBondContact O-N 3.11Å; C126-A129 PolarHBondContact O-N 3.27Å; C126-G130 PolarHBondContact O-N 2.92Å; C126-F131 PolarHBondContact O-N 3.11Å; C126-F131 VanDerWaalsContact SG-CB 3.52Å; C126-M164 HydrophobicContact CB-SD 4.28Å
127R98.1Very high97.5Very high172 Ų17240.8 Ų40.865%0.64925%0.246SC*.Hα-helixtrans-64.7-40.1177.6-73.9-177.2-74.7-175.2-1.6112.1P123 A124 A129 G130P123-R127 WeakPolarHBondContact O-CG 3.2Å; P123-R127 PolarHBondContact O-N 3.44Å; P123-R127 PolarHBondContact O-NE 3.14Å; P123-R127 VanDerWaalsContact O-NE 3.08Å; A124-R127 PolarHBondContact O-N 2.83Å; R127-A129 VanDerWaalsContact C-N 3.32Å; R127-A129 PolarHBondContact O-N 2.87Å; R127-G130 PolarHBondContact O-N 3.29Å
128M98.3Very high97.7Very high128 Ų12842.3 Ų42.363%0.63126%0.255SS*.Hα-helixtrans-63.3-36.8177.8-168.4180-65.200112.5Y91 A124 S125 C126 G130Y91-M128 HydrophobicContact CD2-CB 4.1Å; Y91-M128 HydrophobicContact CD2-CG 3.89Å; Y91-M128 HydrophobicContact CD2-SD 4.09Å; Y91-M128 HydrophobicContact CE2-CB 4.29Å; Y91-M128 HydrophobicContact CE2-CG 3.77Å; Y91-M128 HydrophobicContact CE2-SD 4.27Å; Y91-M128 HydrophobicContact CG-SD 4.32Å; A124-M128 WeakPolarHBondContact O-CB 3.44Å; A124-M128 PolarHBondContact O-N 3.42Å; S125-M128 PolarHBondContact O-N 2.83Å; C126-M128 PolarHBondContact O-N 3.11Å; M128-G130 PolarHBondContact O-N 2.92Å
129A98.3Very high97.7Very high2 Ų243.8 Ų43.82%0.01726%0.261CS..THydrogen-bonded Turntrans-73-8.7173.900000113.4Y91 L94 L95 K98 S125 C126 R127 F131Y91-A129 HydrophobicContact CD2-CB 4.09Å; Y91-A129 HydrophobicContact CE2-CB 4.29Å; L94-A129 HydrophobicContact CB-CB 3.69Å; L94-A129 HydrophobicContact CD1-CB 4.21Å; L95-A129 HydrophobicContact CD2-CB 4.43Å; K98-A129 WeakPolarHBondContact CD-O 3.49Å; K98-A129 PolarHBondContact NZ-O 3.42Å; S125-A129 WeakPolarHBondContact O-CB 3.31Å; S125-A129 PolarHBondContact O-N 2.97Å; C126-A129 PolarHBondContact O-N 3.27Å; R127-A129 VanDerWaalsContact C-N 3.32Å; R127-A129 PolarHBondContact O-N 2.87Å; A129-F131 HydrophobicContact CB-CD2 4.01Å; A129-F131 HydrophobicContact CB-CE2 4.44Å
130G97.7Very high97.6Very high41 Ų4152 Ų5242%0.42329%0.289SS..THydrogen-bonded Turntrans81.924.8-179.800000114.1C126 R127 M128C126-G130 PolarHBondContact O-N 2.92Å; R127-G130 PolarHBondContact O-N 3.29Å; M128-G130 PolarHBondContact O-N 2.92Å
131F98.6Very high97.6Very high10 Ų1053.6 Ų53.64%0.04429%0.287CS..  trans-88.5158.3164.9-73.8-94.4000110.5L94 V97 K98 T110 C112 C126 A129 C162L94-F131 HydrophobicContact CB-CD2 4.44Å; L94-F131 HydrophobicContact CB-CE2 4.19Å; V97-F131 HydrophobicContact CG1-CZ 4.17Å; K98-F131 HydrophobicContact CB-CE2 4Å; K98-F131 HydrophobicContact CB-CZ 4.12Å; T110-F131 CarbonylContact O-C 3.56Å; T110-F131 VanDerWaalsContact O-CA 3.29Å; T110-F131 WeakPolarHBondContact O-CA 3.45Å; T110-F131 WeakPolarHBondContact O-CB 3.39Å; T110-F131 WeakPolarHBondContact O-CD1 3.35Å; C112-F131 HydrophobicContact CB-CB 3.8Å; C112-F131 HydrophobicContact CB-CD1 4.04Å; C112-F131 HydrophobicContact CB-CG 4.11Å; C126-F131 PolarHBondContact O-N 3.11Å; C126-F131 VanDerWaalsContact SG-CB 3.52Å; A129-F131 HydrophobicContact CB-CD2 4.01Å; A129-F131 HydrophobicContact CB-CE2 4.44Å; F131-C162 HydrophobicContact CE1-CB 4.41Å
132T98.5Very high97.5Very high78 Ų7851.9 Ų51.948%0.47928%0.277SS..EExtended strand (participates in β ladder)trans-96.7115.6168.7-61.60000108.4T110 I111 C112T110-T132 PolarHBondContact O-N 2.93Å; I111-T132 HydrophobicContact CD1-CG2 4.17Å; C112-T132 PolarHBondContact N-O 3.11Å
133A98Very high97.4Very high31 Ų3153.7 Ų53.726%0.25629%0.286SS..EExtended strand (participates in β ladder)trans-70.5127.817500000110.5C112 I114C112-A133 WeakPolarHBondContact O-CA 3.48Å; I114-A133 HydrophobicContact CD1-CB 3.91Å
134V98.4Very high97.4Very high27 Ų2752.9 Ų52.916%0.16428%0.28CS..EExtended strand (participates in β ladder)trans-119.1120.2169.5170.70000107.4I111 C112 L113 I114 K152I111-V134 HydrophobicContact CD1-CG2 3.95Å; I111-V134 HydrophobicContact CG2-CB 4.18Å; I111-V134 HydrophobicContact CG2-CG2 3.8Å; C112-V134 PolarHBondContact O-N 3.44Å; L113-V134 WeakPolarHBondContact CA-O 3.4Å; L113-V134 HydrophobicContact CD2-CB 3.85Å; L113-V134 HydrophobicContact CD2-CG1 3.8Å; I114-V134 PolarHBondContact N-O 2.65Å; V134-K152 HydrophobicContact CG1-CD 3.96Å; V134-K152 HydrophobicContact CG1-CG 4.3Å
135N98.2Very high97.4Very high93 Ų9353 Ų5350%0.49728%0.275SS..EExtended strand (participates in β ladder)trans-70.4142.9-178.2-73.726.1000111I114 D116I114-N135 CarbonylContact O-C 3.55Å; I114-N135 VanDerWaalsContact O-CA 3.31Å; I114-N135 WeakPolarHBondContact O-CA 3.49Å; D116-N135 WeakPolarHBondContact OD1-CB 3.38Å; D116-N135 PolarHBondContact OD1-ND2 2.49Å
136V98.6Very high97.4Very high0 Ų055.2 Ų55.20%028%0.282CS..EExtended strand (participates in β ladder)trans-116.2128.1169.6-1790000108L113 I114 P115 D116 I144 D148 L149 K152L113-V136 HydrophobicContact CB-CG2 3.94Å; L113-V136 HydrophobicContact CD2-CG2 4.29Å; L113-V136 HydrophobicContact CG-CG2 4.46Å; I114-V136 PolarHBondContact O-N 2.98Å; P115-V136 CarbonylContact C-O 3.55Å; P115-V136 VanDerWaalsContact CA-O 3.32Å; P115-V136 WeakPolarHBondContact CA-O 3.47Å; D116-V136 PolarHBondContact N-O 3.48Å; V136-I144 HydrophobicContact CG1-CG2 3.88Å; V136-D148 WeakPolarHBondContact CA-OD2 3.48Å; V136-L149 HydrophobicContact CG1-CB 3.9Å; V136-L149 HydrophobicContact CG1-CD1 4.21Å; V136-L149 HydrophobicContact CG2-CD1 4.17Å; V136-K152 HydrophobicContact CG2-CG 4.45Å
137A98.2Very high97.4Very high28 Ų2860.1 Ų60.123%0.23131%0.308CS..  trans-63.8158-177.400000112.2D145 D148A137-D145 HydrophobicContact CB-CB 4Å; A137-D145 VanDerWaalsContact O-CB 3.27Å; A137-D145 WeakPolarHBondContact O-CB 3.29Å; A137-D145 PolarHBondContact O-N 2.93Å; A137-D148 HydrophobicContact CB-CB 4.05Å; A137-D148 PolarHBondContact N-OD2 2.94Å
138T96.3Very high97.4Very high42 Ų4254 Ų5426%0.25829%0.288SS..BIsolated β-bridgetrans-102.3138.4165.559.40000110.8D116 N143 F171D116-T138 HydrophobicContact CB-CG2 4.44Å; T138-N143 CarbonylContact C-O 3.57Å; T138-N143 WeakPolarHBondContact CA-O 3.05Å; T138-N143 WeakPolarHBondContact CB-O 3.1Å; T138-F171 HydrophobicContact CG2-CE2 4.01Å; T138-F171 HydrophobicContact CG2-CZ 4.39Å
139D95.7Very high97.4Very high43 Ų4347.9 Ų47.923%0.2326%0.258CS..  trans-70.2174177.582.90.6000112.1N141 G142 N143 D145D139-N141 PolarHBondContact O-N 2.71Å; D139-N141 VanDerWaalsContact O-N 3.1Å; D139-N141 VanDerWaalsContact OD1-C 3.29Å; D139-N141 VanDerWaalsContact OD1-CA 3.27Å; D139-N141 WeakPolarHBondContact OD1-CA 3.32Å; D139-N141 WeakPolarHBondContact OD1-CB 3.13Å; D139-N141 PolarHBondContact OD1-N 2.82Å; D139-G142 PolarHBondContact O-N 2.95Å; D139-G142 PolarHBondContact OD1-N 3.21Å; D139-N143 PolarHBondContact N-O 3.44Å; D139-N143 PolarHBondContact OD1-N 2.94Å; D139-D145 HydrophobicContact CB-CB 4.42Å
140R94.6Very high97.4Very high229 Ų22953.6 Ų53.686%0.86428%0.279SS*.THydrogen-bonded Turntrans-61.1-18.4178.666.7179.9178.5-178.3-2.3114.8
141N94.1Very high97.5Very high82 Ų8253.9 Ų53.944%0.43928%0.275SS..THydrogen-bonded Turntrans-97.1-2.9179.7-60.6-41000112D139 L173 F319D139-N141 PolarHBondContact O-N 2.71Å; D139-N141 VanDerWaalsContact O-N 3.1Å; D139-N141 VanDerWaalsContact OD1-C 3.29Å; D139-N141 VanDerWaalsContact OD1-CA 3.27Å; D139-N141 WeakPolarHBondContact OD1-CA 3.32Å; D139-N141 WeakPolarHBondContact OD1-CB 3.13Å; D139-N141 PolarHBondContact OD1-N 2.82Å; N141-L173 WeakPolarHBondContact O-CD1 3.35Å; N141-F319 VanDerWaalsContact C-CD1 3.41Å; N141-F319 WeakPolarHBondContact O-CD1 3.46Å
142G94.9Very high97.4Very high1 Ų155.7 Ų55.71%0.0128%0.283CS..SBendtrans8710.4-18000000114.6D139 F171D139-G142 PolarHBondContact O-N 2.95Å; D139-G142 PolarHBondContact OD1-N 3.21Å; G142-F171 WeakPolarHBondContact O-CD2 3.32Å
143N96.7Very high97.4Very high37 Ų3752.1 Ų52.120%0.19826%0.261CS..SBendtrans-85.9171.2173.2-55-59.2000110.3T138 D139 D145T138-N143 CarbonylContact C-O 3.57Å; T138-N143 WeakPolarHBondContact CA-O 3.05Å; T138-N143 WeakPolarHBondContact CB-O 3.1Å; D139-N143 PolarHBondContact N-O 3.44Å; D139-N143 PolarHBondContact OD1-N 2.94Å; N143-D145 PolarHBondContact O-N 2.76Å
144I98Very high97.4Very high18 Ų1858 Ų589%0.09228%0.284CS..BIsolated β-bridgetrans-63.6128.2168.9-66.5170.2000108P115 V136 W146 L149 M163 I165 D175 I181P115-I144 HydrophobicContact CB-CG1 4.23Å; P115-I144 HydrophobicContact CG-CD1 3.81Å; P115-I144 HydrophobicContact CG-CG1 3.96Å; V136-I144 HydrophobicContact CG1-CG2 3.88Å; I144-W146 PolarHBondContact O-N 3.26Å; I144-W146 VanDerWaalsContact O-N 3.08Å; I144-L149 HydrophobicContact CG2-CB 4.33Å; I144-L149 HydrophobicContact CG2-CD2 4.18Å; I144-M163 HydrophobicContact CD1-CE 3.94Å; I144-M163 HydrophobicContact CG2-CE 4.36Å; I144-I165 HydrophobicContact CD1-CG2 4.03Å; I144-D175 PolarHBondContact N-OD2 2.81Å; I144-I181 HydrophobicContact CB-CD1 4.11Å; I144-I181 HydrophobicContact CD1-CD1 3.97Å; I144-I181 HydrophobicContact CG2-CD1 4.36Å
145D98.1Very high97.4Very high46 Ų4662.3 Ų62.325%0.24630%0.302CS..  trans-67.7110.1177.6-171-42000109.4A137 D139 N143 D147 D148 L149A137-D145 HydrophobicContact CB-CB 4Å; A137-D145 VanDerWaalsContact O-CB 3.27Å; A137-D145 WeakPolarHBondContact O-CB 3.29Å; A137-D145 PolarHBondContact O-N 2.93Å; D139-D145 HydrophobicContact CB-CB 4.42Å; N143-D145 PolarHBondContact O-N 2.76Å; D145-D147 VanDerWaalsContact C-N 3.31Å; D145-D147 PolarHBondContact O-N 3.01Å; D145-D147 PolarHBondContact OD1-N 3.18Å; D145-D148 HydrophobicContact CB-CB 3.99Å; D145-D148 PolarHBondContact OD1-N 3.26Å; D145-L149 WeakPolarHBondContact O-CB 3.23Å; D145-L149 PolarHBondContact O-N 3.4Å
146W97.7Very high97.4Very high51 Ų5159.2 Ų59.219%0.19329%0.285CS..Hα-helixtrans-65.6-33.2-175.9-179.1-103.6000113.2I144 L149 R150 R177 D180 I181 L184I144-W146 PolarHBondContact O-N 3.26Å; I144-W146 VanDerWaalsContact O-N 3.08Å; W146-L149 HydrophobicContact CE3-CD2 4.24Å; W146-L149 HydrophobicContact CZ3-CD2 4.27Å; W146-R150 HydrophobicContact CZ2-CG 4.35Å; W146-R150 WeakPolarHBondContact O-CG 3.43Å; W146-R150 PolarHBondContact O-N 3.38Å; W146-R150 VanDerWaalsContact O-N 3.13Å; W146-R177 VanDerWaalsContact CD1-NH1 3.29Å; W146-R177 VanDerWaalsContact CG-NH1 3.33Å; W146-D180 HydrophobicContact CH2-CB 3.73Å; W146-D180 HydrophobicContact CZ3-CB 3.94Å; W146-I181 HydrophobicContact CE3-CG1 4.06Å; W146-I181 HydrophobicContact CZ3-CG1 3.74Å; W146-L184 HydrophobicContact CH2-CB 4.46Å; W146-L184 HydrophobicContact CH2-CD2 4.16Å; W146-L184 HydrophobicContact CZ3-CD2 4.38Å
147D98.1Very high97.3Very high104 Ų10461.3 Ų61.356%0.55630%0.3SS*.Hα-helixtrans-78.3-43.3-177.8-69.1-23.3000110.3D145 R150 S151D145-D147 VanDerWaalsContact C-N 3.31Å; D145-D147 PolarHBondContact O-N 3.01Å; D145-D147 PolarHBondContact OD1-N 3.18Å; D147-R150 PolarHBondContact O-N 3.37Å; D147-R150 IonicContact OD1-CZ 2.83Å; D147-R150 IonicContact OD1-NE 3.48Å; D147-R150 IonicContact OD1-NH2 3.57Å; D147-R150 PolarHBondContact OD1-NH2 3.33Å; D147-S151 PolarHBondContact O-N 3Å
148D98.6Very high97.2Very high43 Ų4368 Ų6823%0.2332%0.324CS..Hα-helixtrans-62.8-44.3172.7-174.863000111.3V136 A137 D145 R150 S151 K152V136-D148 WeakPolarHBondContact CA-OD2 3.48Å; A137-D148 HydrophobicContact CB-CB 4.05Å; A137-D148 PolarHBondContact N-OD2 2.94Å; D145-D148 HydrophobicContact CB-CB 3.99Å; D145-D148 PolarHBondContact OD1-N 3.26Å; D148-R150 VanDerWaalsContact C-N 3.33Å; D148-R150 PolarHBondContact O-N 3.46Å; D148-S151 WeakPolarHBondContact O-CB 3.49Å; D148-S151 PolarHBondContact O-N 3.04Å; D148-S151 VanDerWaalsContact O-N 3.12Å; D148-K152 WeakPolarHBondContact O-CG 3.48Å; D148-K152 PolarHBondContact O-N 2.88Å
149L98.6Very high97.3Very high0 Ų070.7 Ų70.70%033%0.333CS..Hα-helixtrans-55.1-47.6175.6176.562.9000111.6L113 V136 I144 D145 W146 S151 K152 V153 M163 I181 L184 I185L113-L149 HydrophobicContact CD1-CD1 3.96Å; V136-L149 HydrophobicContact CG1-CB 3.9Å; V136-L149 HydrophobicContact CG1-CD1 4.21Å; V136-L149 HydrophobicContact CG2-CD1 4.17Å; I144-L149 HydrophobicContact CG2-CB 4.33Å; I144-L149 HydrophobicContact CG2-CD2 4.18Å; D145-L149 WeakPolarHBondContact O-CB 3.23Å; D145-L149 PolarHBondContact O-N 3.4Å; W146-L149 HydrophobicContact CE3-CD2 4.24Å; W146-L149 HydrophobicContact CZ3-CD2 4.27Å; L149-S151 VanDerWaalsContact C-N 3.34Å; L149-S151 PolarHBondContact O-N 3.11Å; L149-K152 PolarHBondContact O-N 2.99Å; L149-V153 HydrophobicContact CD1-CG2 4.01Å; L149-V153 HydrophobicContact CG-CG2 4.38Å; L149-V153 WeakPolarHBondContact O-CB 3.38Å; L149-V153 VanDerWaalsContact O-CG2 3.28Å; L149-V153 WeakPolarHBondContact O-CG2 3.41Å; L149-V153 PolarHBondContact O-N 3.38Å; L149-M163 HydrophobicContact CD1-CE 3.85Å; L149-M163 HydrophobicContact CD1-SD 3.9Å; L149-M163 HydrophobicContact CD2-CE 4.38Å; L149-I181 HydrophobicContact CD2-CB 4.31Å; L149-I181 HydrophobicContact CD2-CG1 3.85Å; L149-I181 HydrophobicContact CD2-CG2 3.91Å; L149-L184 HydrophobicContact CD2-CD2 4.05Å; L149-L184 HydrophobicContact CG-CD2 3.99Å; L149-I185 HydrophobicContact CD1-CD1 4.41Å
150R98.3Very high97.4Very high121 Ų12168.7 Ų68.746%0.45732%0.322SS..Hα-helixtrans-61.3-42.9177.9-77.8-170.5-66.2165.6-3.6111.9W146 D147 D148 V153 E154 L184W146-R150 HydrophobicContact CZ2-CG 4.35Å; W146-R150 WeakPolarHBondContact O-CG 3.43Å; W146-R150 PolarHBondContact O-N 3.38Å; W146-R150 VanDerWaalsContact O-N 3.13Å; D147-R150 PolarHBondContact O-N 3.37Å; D147-R150 IonicContact OD1-CZ 2.83Å; D147-R150 IonicContact OD1-NE 3.48Å; D147-R150 IonicContact OD1-NH2 3.57Å; D147-R150 PolarHBondContact OD1-NH2 3.33Å; D148-R150 VanDerWaalsContact C-N 3.33Å; D148-R150 PolarHBondContact O-N 3.46Å; R150-V153 PolarHBondContact O-N 3.02Å; R150-E154 WeakPolarHBondContact O-CB 3.49Å; R150-E154 PolarHBondContact O-N 3.29Å; R150-L184 HydrophobicContact CG-CD2 3.93Å
151S98.5Very high97.6Very high48 Ų4857.8 Ų57.834%0.33628%0.281SS..Hα-helixtrans-59-48.4175.2-161.90000111.1D147 D148 L149 V153 E154 E155D147-S151 PolarHBondContact O-N 3Å; D148-S151 WeakPolarHBondContact O-CB 3.49Å; D148-S151 PolarHBondContact O-N 3.04Å; D148-S151 VanDerWaalsContact O-N 3.12Å; L149-S151 VanDerWaalsContact C-N 3.34Å; L149-S151 PolarHBondContact O-N 3.11Å; S151-V153 PolarHBondContact O-N 2.62Å; S151-E154 PolarHBondContact O-N 3.08Å; S151-E155 WeakPolarHBondContact O-CB 3.37Å; S151-E155 VanDerWaalsContact O-CG 3.23Å; S151-E155 WeakPolarHBondContact O-CG 3.3Å; S151-E155 PolarHBondContact O-N 3.21Å; S151-E155 PolarHBondContact OG-OE1 3.15Å
152K98.5Very high97.8Very high47 Ų4753.9 Ų53.920%0.20426%0.26CS..Hα-helixtrans-64.5-38.2179.7-64.1-48.9176.3-163.20113L113 V134 V136 D148 L149 E155 N156L113-K152 HydrophobicContact CD2-CB 3.94Å; V134-K152 HydrophobicContact CG1-CD 3.96Å; V134-K152 HydrophobicContact CG1-CG 4.3Å; V136-K152 HydrophobicContact CG2-CG 4.45Å; D148-K152 WeakPolarHBondContact O-CG 3.48Å; D148-K152 PolarHBondContact O-N 2.88Å; L149-K152 PolarHBondContact O-N 2.99Å; K152-E155 IonicContact NZ-OE1 3.96Å; K152-E155 IonicContact NZ-OE2 2.8Å; K152-E155 PolarHBondContact NZ-OE2 3.29Å; K152-E155 VanDerWaalsContact NZ-OE2 3.16Å; K152-N156 VanDerWaalsContact O-CB 3.31Å; K152-N156 WeakPolarHBondContact O-CB 3.41Å; K152-N156 PolarHBondContact O-N 2.82Å; K152-N156 PolarHBondContact O-ND2 2.91Å
153V98.5Very high98Very high4 Ų453.8 Ų53.82%0.02426%0.26CS..Hα-helixtrans-65.6-44.2174.91710000110.7L113 L149 R150 S151 N156 S157 L160 L184 I185 C188L113-V153 HydrophobicContact CD1-CG2 3.64Å; L149-V153 HydrophobicContact CD1-CG2 4.01Å; L149-V153 HydrophobicContact CG-CG2 4.38Å; L149-V153 WeakPolarHBondContact O-CB 3.38Å; L149-V153 VanDerWaalsContact O-CG2 3.28Å; L149-V153 WeakPolarHBondContact O-CG2 3.41Å; L149-V153 PolarHBondContact O-N 3.38Å; R150-V153 PolarHBondContact O-N 3.02Å; S151-V153 PolarHBondContact O-N 2.62Å; V153-N156 PolarHBondContact O-N 3.28Å; V153-S157 WeakPolarHBondContact O-CA 3.31Å; V153-S157 VanDerWaalsContact O-CB 3.31Å; V153-S157 WeakPolarHBondContact O-CB 3.38Å; V153-S157 PolarHBondContact O-N 3.15Å; V153-L160 HydrophobicContact CG1-CD2 4.3Å; V153-L160 HydrophobicContact CG2-CD2 4.28Å; V153-L184 HydrophobicContact CB-CD2 4.45Å; V153-L184 HydrophobicContact CB-CG 4.44Å; V153-L184 HydrophobicContact CG1-CD1 4.04Å; V153-L184 HydrophobicContact CG1-CG 4.14Å; V153-L184 HydrophobicContact CG2-CD2 4.07Å; V153-L184 HydrophobicContact CG2-CG 4.15Å; V153-I185 HydrophobicContact CG2-CD1 3.72Å; V153-C188 HydrophobicContact CG1-CB 4.27Å; V153-C188 WeakPolarHBondContact CG1-SG 3.26Å
154E97.7Very high98.1Very high155 Ų15552 Ų5272%0.72425%0.25SS*.Hα-helixtrans-62.4-51177.3-174.2174.4-176.800111.5R150 S151 N156 S157R150-E154 WeakPolarHBondContact O-CB 3.49Å; R150-E154 PolarHBondContact O-N 3.29Å; S151-E154 PolarHBondContact O-N 3.08Å; E154-N156 PolarHBondContact O-N 3.39Å; E154-S157 PolarHBondContact O-N 3.2Å; E154-S157 PolarHBondContact O-OG 2.91Å
155E98.1Very high98.1Very high117 Ų11751.3 Ų51.355%0.54725%0.247SC..Hα-helixtrans-55.1-37.7178-75.4165.7-149.200112.6S151 K152S151-E155 WeakPolarHBondContact O-CB 3.37Å; S151-E155 VanDerWaalsContact O-CG 3.23Å; S151-E155 WeakPolarHBondContact O-CG 3.3Å; S151-E155 PolarHBondContact O-N 3.21Å; S151-E155 PolarHBondContact OG-OE1 3.15Å; K152-E155 IonicContact NZ-OE1 3.96Å; K152-E155 IonicContact NZ-OE2 2.8Å; K152-E155 PolarHBondContact NZ-OE2 3.29Å; K152-E155 VanDerWaalsContact NZ-OE2 3.16Å
156N97.8Very high98.2Very high28 Ų2849.7 Ų49.715%0.1524%0.238CC..Hα-helixtrans-111.35.4-171.5-62.4-84000114.1I111 K152 V153 E154 K158 Q159 L160I111-N156 HydrophobicContact CB-CB 4.32Å; I111-N156 HydrophobicContact CG1-CB 4.21Å; I111-N156 HydrophobicContact CG2-CB 3.91Å; K152-N156 VanDerWaalsContact O-CB 3.31Å; K152-N156 WeakPolarHBondContact O-CB 3.41Å; K152-N156 PolarHBondContact O-N 2.82Å; K152-N156 PolarHBondContact O-ND2 2.91Å; V153-N156 PolarHBondContact O-N 3.28Å; E154-N156 PolarHBondContact O-N 3.39Å; N156-K158 VanDerWaalsContact C-N 3.27Å; N156-K158 PolarHBondContact O-N 3.26Å; N156-Q159 CarbonylContact O-C 3.43Å; N156-Q159 WeakPolarHBondContact O-CA 3.29Å; N156-Q159 PolarHBondContact O-N 3.31Å; N156-L160 PolarHBondContact O-N 2.99Å
157S95.9Very high98.2Very high44 Ų4448.5 Ų48.531%0.30823%0.234SC..THydrogen-bonded Turntrans-46.8-41.8-169.751.90000115.2R109 V153 E154R109-S157 PolarHBondContact NH1-O 3.07Å; R109-S157 VanDerWaalsContact NH1-O 3.14Å; V153-S157 WeakPolarHBondContact O-CA 3.31Å; V153-S157 VanDerWaalsContact O-CB 3.31Å; V153-S157 WeakPolarHBondContact O-CB 3.38Å; V153-S157 PolarHBondContact O-N 3.15Å; E154-S157 PolarHBondContact O-N 3.2Å; E154-S157 PolarHBondContact O-OG 2.91Å
158K96.9Very high98.2Very high168 Ų16843.5 Ų43.573%0.7321%0.207SC*.THydrogen-bonded Turntrans-74.3-21.3179.1-63.5-176.9-178177.20114.3H108 N156H108-K158 PolarHBondContact CD2-O 3.31Å; H108-K158 VanDerWaalsContact CD2-O 3.24Å; H108-K158 PolarHBondContact NE2-O 3.16Å; N156-K158 VanDerWaalsContact C-N 3.27Å; N156-K158 PolarHBondContact O-N 3.26Å
159Q98.1Very high98.2Very high99 Ų9942.3 Ų42.346%0.46320%0.202SC..THydrogen-bonded Turntrans-115-1.7-177.9-61.9-177.412.700112.6R109 T110 I111 N156 G161R109-Q159 CarbonylContact C-O 3.1Å; R109-Q159 WeakPolarHBondContact CA-O 3.22Å; T110-Q159 PolarHBondContact N-O 3.27Å; I111-Q159 HydrophobicContact CB-CB 4.48Å; I111-Q159 WeakPolarHBondContact CB-O 3.2Å; I111-Q159 HydrophobicContact CG1-CB 3.7Å; I111-Q159 PolarHBondContact N-O 3.04Å; N156-Q159 CarbonylContact O-C 3.43Å; N156-Q159 WeakPolarHBondContact O-CA 3.29Å; N156-Q159 PolarHBondContact O-N 3.31Å; Q159-G161 PolarHBondContact O-N 2.9Å; Q159-G161 VanDerWaalsContact O-N 3.16Å
160L98.7Very high98.1Very high0 Ų042.3 Ų42.30%020%0.202CC..EExtended strand (participates in β ladder)trans-66.7114.5-179.9-177.960.6000109.6R109 I111 L113 V153 N156 I185 C188R109-L160 WeakPolarHBondContact CD-O 3.36Å; R109-L160 PolarHBondContact NH1-O 3.29Å; R109-L160 VanDerWaalsContact NH1-O 3.16Å; I111-L160 HydrophobicContact CG2-CD1 4.39Å; L113-L160 HydrophobicContact CD1-CD1 3.83Å; L113-L160 HydrophobicContact CD1-CD2 4.45Å; L113-L160 HydrophobicContact CD2-CD1 4.5Å; L113-L160 HydrophobicContact CG-CD1 3.65Å; V153-L160 HydrophobicContact CG1-CD2 4.3Å; V153-L160 HydrophobicContact CG2-CD2 4.28Å; N156-L160 PolarHBondContact O-N 2.99Å; L160-I185 HydrophobicContact CD2-CD1 3.97Å; L160-I185 HydrophobicContact CD2-CG2 4.38Å; L160-C188 HydrophobicContact CD2-CB 4.04Å
161G98.4Very high98Very high0 Ų037.1 Ų37.10%018%0.183CC..EExtended strand (participates in β ladder)trans-107.1-36.4177.600000112.9I111 Q159 Q191I111-G161 PolarHBondContact O-N 3.45Å; Q159-G161 PolarHBondContact O-N 2.9Å; Q159-G161 VanDerWaalsContact O-N 3.16Å; G161-Q191 PolarHBondContact O-N 3.15Å
162C98.5Very high98Very high0 Ų034.8 Ų34.80%017%0.167CC..EExtended strand (participates in β ladder)trans-150.8158.7-177.9-165.70000113.5L94 V97 I111 C112 L113 F131 Q191L94-C162 HydrophobicContact CD2-CB 4.22Å; V97-C162 HydrophobicContact CG1-CB 4.23Å; I111-C162 PolarHBondContact O-N 2.83Å; C112-C162 CarbonylContact C-O 3.56Å; C112-C162 WeakPolarHBondContact CA-O 3.44Å; L113-C162 PolarHBondContact N-O 2.96Å; F131-C162 HydrophobicContact CE1-CB 4.41Å; C162-Q191 CarbonylContact C-O 3.51Å; C162-Q191 WeakPolarHBondContact CA-O 3.5Å; C162-Q191 PolarHBondContact SG-O 3.04Å; C162-Q191 VanDerWaalsContact SG-O 3.33Å
163M98.7Very high97.9Very high0 Ų032.7 Ų32.70%016%0.158CC..EExtended strand (participates in β ladder)trans-126.9132159.7-179.3173.3-17900109.1L113 P115 I144 L149 I165 I181 I185 Q191 Y193L113-M163 HydrophobicContact CB-CB 4.14Å; L113-M163 HydrophobicContact CB-CG 3.94Å; L113-M163 CarbonylContact O-C 3.57Å; L113-M163 VanDerWaalsContact O-CA 3.32Å; L113-M163 WeakPolarHBondContact O-CA 3.37Å; P115-M163 HydrophobicContact CG-CE 4.24Å; I144-M163 HydrophobicContact CD1-CE 3.94Å; I144-M163 HydrophobicContact CG2-CE 4.36Å; L149-M163 HydrophobicContact CD1-CE 3.85Å; L149-M163 HydrophobicContact CD1-SD 3.9Å; L149-M163 HydrophobicContact CD2-CE 4.38Å; M163-I165 HydrophobicContact CE-CD1 3.87Å; M163-I165 HydrophobicContact CE-CG1 3.87Å; M163-I165 HydrophobicContact CG-CD1 4.1Å; M163-I165 HydrophobicContact CG-CG1 3.78Å; M163-I165 HydrophobicContact SD-CD1 3.86Å; M163-I165 HydrophobicContact SD-CG1 4.1Å; M163-I181 HydrophobicContact CE-CG2 3.81Å; M163-I181 HydrophobicContact SD-CG2 3.79Å; M163-I185 HydrophobicContact CB-CD1 3.89Å; M163-I185 HydrophobicContact CB-CG1 3.83Å; M163-I185 HydrophobicContact CB-CG2 4.2Å; M163-I185 HydrophobicContact CG-CD1 4.34Å; M163-I185 HydrophobicContact CG-CG1 4.35Å; M163-I185 HydrophobicContact SD-CD1 3.57Å; M163-I185 VanDerWaalsContact SD-CD1 3.57Å; M163-I185 HydrophobicContact SD-CG1 3.56Å; M163-I185 VanDerWaalsContact SD-CG1 3.56Å; M163-Q191 PolarHBondContact N-O 3.14Å; M163-Y193 PolarHBondContact O-N 2.81Å
164M98.8Very high97.9Very high0 Ų035.7 Ų35.70%017%0.171CC..EExtended strand (participates in β ladder)trans-99.2126173.6-62.4-178.980.400110E90 L94 L113 I114 P115 N122 C126 Y193E90-M164 HydrophobicContact CB-CE 4.04Å; E90-M164 HydrophobicContact CG-CE 4.06Å; L94-M164 HydrophobicContact CD1-CE 4.29Å; L94-M164 HydrophobicContact CD1-SD 3.86Å; L94-M164 HydrophobicContact CD2-CG 4.26Å; L94-M164 HydrophobicContact CD2-SD 4.34Å; L94-M164 HydrophobicContact CG-SD 4.49Å; L113-M164 PolarHBondContact O-N 3.44Å; I114-M164 HydrophobicContact CD1-SD 4.12Å; I114-M164 HydrophobicContact CG1-CB 4.4Å; I114-M164 HydrophobicContact CG1-SD 4.48Å; P115-M164 WeakPolarHBondContact CD-O 3.42Å; N122-M164 HydrophobicContact CB-CE 3.74Å; N122-M164 HydrophobicContact CB-SD 3.91Å; C126-M164 HydrophobicContact CB-SD 4.28Å; M164-Y193 WeakPolarHBondContact CA-O 3.4Å; M164-Y193 HydrophobicContact CB-CD1 4.12Å; M164-Y193 HydrophobicContact CE-CD1 3.61Å; M164-Y193 HydrophobicContact CE-CE1 3.57Å; M164-Y193 HydrophobicContact CE-CG 4.36Å; M164-Y193 HydrophobicContact CG-CD1 3.91Å; M164-Y193 HydrophobicContact CG-CG 4.24Å
165I98.6Very high97.8Very high3 Ų329 Ų292%0.01514%0.14CC..EExtended strand (participates in β ladder)trans-131.3137.5-177.8-48.4178.9000109.1I144 M163 I178 I181 V192 Y193 L194 D195 F213I144-I165 HydrophobicContact CD1-CG2 4.03Å; M163-I165 HydrophobicContact CE-CD1 3.87Å; M163-I165 HydrophobicContact CE-CG1 3.87Å; M163-I165 HydrophobicContact CG-CD1 4.1Å; M163-I165 HydrophobicContact CG-CG1 3.78Å; M163-I165 HydrophobicContact SD-CD1 3.86Å; M163-I165 HydrophobicContact SD-CG1 4.1Å; I165-I178 HydrophobicContact CD1-CD1 4.38Å; I165-I178 HydrophobicContact CG2-CD1 3.96Å; I165-I181 HydrophobicContact CD1-CG2 3.58Å; I165-V192 HydrophobicContact CD1-CG1 3.8Å; I165-V192 HydrophobicContact CG1-CG1 4.35Å; I165-Y193 PolarHBondContact N-O 3.38Å; I165-L194 CarbonylContact O-C 3.59Å; I165-L194 WeakPolarHBondContact O-CA 3.24Å; I165-D195 PolarHBondContact O-N 3.08Å; I165-F213 HydrophobicContact CB-CE1 3.92Å; I165-F213 HydrophobicContact CB-CZ 4.05Å; I165-F213 HydrophobicContact CD1-CE1 4.26Å; I165-F213 HydrophobicContact CD1-CZ 4.23Å; I165-F213 HydrophobicContact CG1-CE1 4.4Å; I165-F213 HydrophobicContact CG2-CZ 4.27Å
166T98.6Very high97.6Very high11 Ų1130.2 Ų30.27%0.06715%0.146CC..EExtended strand (participates in β ladder)trans-98127.4166.5-46.70000108P168 S169 T170 D195 N198T166-P168 CarbonylContact C-O 3.56Å; T166-P168 CarbonylContact O-C 3.01Å; T166-S169 WeakPolarHBondContact O-CA 3.37Å; T166-S169 PolarHBondContact O-N 3.33Å; T166-T170 HydrophobicContact CG2-CG2 4.2Å; T166-D195 HydrophobicContact CG2-CB 4.21Å; T166-D195 WeakPolarHBondContact OG1-CB 3.42Å; T166-D195 PolarHBondContact OG1-OD2 2.89Å; T166-N198 HydrophobicContact CG2-CB 4.31Å
167Y98.4Very high97.6Very high26 Ų2634.3 Ų34.310%0.10216%0.159CC..SBendtrans-131.5128.2178.7-165-104.4000111.3F174 D175 I178 Q202 Y211Y167-F174 HydrophobicContact CD1-CD1 4.46Å; Y167-F174 AromaticContact CE1-CD1 3.72Å; Y167-F174 HydrophobicContact CE1-CD1 3.72Å; Y167-F174 HydrophobicContact CE1-CE1 4.25Å; Y167-F174 HydrophobicContact CE2-CD1 4.44Å; Y167-F174 AromaticContact CZ-CD1 3.72Å; Y167-D175 HydrophobicContact CE2-CB 4.13Å; Y167-D175 WeakPolarHBondContact CE2-O 3.39Å; Y167-D175 PolarHBondContact OH-O 2.94Å; Y167-I178 HydrophobicContact CD2-CB 4.17Å; Y167-I178 HydrophobicContact CD2-CD1 3.67Å; Y167-I178 HydrophobicContact CD2-CG1 3.69Å; Y167-I178 HydrophobicContact CE2-CB 3.69Å; Y167-I178 HydrophobicContact CE2-CD1 4.09Å; Y167-I178 HydrophobicContact CE2-CG1 3.74Å; Y167-I178 HydrophobicContact CE2-CG2 4Å; Y167-I178 HydrophobicContact CG-CD1 4.3Å; Y167-I178 HydrophobicContact CG-CG1 4.16Å; Y167-Q202 PolarHBondContact O-NE2 3.19Å; Y167-Y211 HydrophobicContact CD1-CE2 4.02Å; Y167-Y211 AromaticContact CD1-CZ 3.91Å; Y167-Y211 WeakPolarHBondContact CD1-OH 3.16Å; Y167-Y211 HydrophobicContact CE1-CE2 4.28Å
168P98.3Very high97.7Very high0 Ų032.7 Ų32.70%015%0.147CC..SBendcis-52.8156.6-1928.2-37.3000111.2T166 L173 F174 N198 A201 A327T166-P168 CarbonylContact C-O 3.56Å; T166-P168 CarbonylContact O-C 3.01Å; P168-L173 CarbonylContact C-O 3.5Å; P168-L173 VanDerWaalsContact CA-O 3.25Å; P168-L173 WeakPolarHBondContact CA-O 3.16Å; P168-L173 WeakPolarHBondContact CB-O 3.44Å; P168-F174 HydrophobicContact CB-CD1 3.99Å; P168-F174 HydrophobicContact CB-CE1 4.05Å; P168-F174 HydrophobicContact CB-CG 4.3Å; P168-F174 HydrophobicContact CB-CZ 4.42Å; P168-F174 HydrophobicContact CG-CE1 4.15Å; P168-F174 HydrophobicContact CG-CZ 4.32Å; P168-N198 HydrophobicContact CG-CB 4.06Å; P168-N198 PolarHBondContact O-ND2 3.33Å; P168-A201 HydrophobicContact CG-CB 3.57Å; P168-A327 HydrophobicContact CB-CB 3.76Å; P168-A327 HydrophobicContact CG-CB 3.73Å
169S97.6Very high97.7Very high17 Ų1727.9 Ų27.912%0.11913%0.131CC..  trans-59.1163.6-175.973.70000111.8T166 F171 G172 L173 N198T166-S169 WeakPolarHBondContact O-CA 3.37Å; T166-S169 PolarHBondContact O-N 3.33Å; S169-F171 PolarHBondContact O-N 2.92Å; S169-F171 PolarHBondContact OG-N 3.49Å; S169-G172 PolarHBondContact O-N 3.16Å; S169-L173 PolarHBondContact N-O 3.12Å; S169-N198 PolarHBondContact O-ND2 2.81Å
170T97.1Very high97.8Very high1 Ų127 Ų271%0.00613%0.13CC..THydrogen-bonded Turntrans-62.9-7.6172.157.90000113.2S117 T166 G172 P365S117-T170 WeakPolarHBondContact CB-OG1 3.32Å; S117-T170 WeakPolarHBondContact O-CB 3.33Å; S117-T170 WeakPolarHBondContact O-CG2 3.4Å; S117-T170 PolarHBondContact O-OG1 3.14Å; T166-T170 HydrophobicContact CG2-CG2 4.2Å; T170-G172 VanDerWaalsContact C-N 3.3Å; T170-P365 WeakPolarHBondContact O-CG 3.33Å
171F97.2Very high97.7Very high11 Ų1127.1 Ų27.15%0.04813%0.131CC..THydrogen-bonded Turntrans-87.3-0.1169.5-63.5-17.8000112.9T138 G142 S169 L173 F319 L331 P365 V366T138-F171 HydrophobicContact CG2-CE2 4.01Å; T138-F171 HydrophobicContact CG2-CZ 4.39Å; G142-F171 WeakPolarHBondContact O-CD2 3.32Å; S169-F171 PolarHBondContact O-N 2.92Å; S169-F171 PolarHBondContact OG-N 3.49Å; F171-L173 HydrophobicContact CB-CD1 4.36Å; F171-L173 HydrophobicContact CB-CG 4.27Å; F171-F319 HydrophobicContact CB-CD2 3.71Å; F171-F319 HydrophobicContact CB-CE2 4.32Å; F171-F319 HydrophobicContact CB-CG 4.4Å; F171-F319 HydrophobicContact CD1-CD2 4.18Å; F171-F319 AromaticContact CD1-CE2 3.99Å; F171-F319 HydrophobicContact CD1-CE2 3.99Å; F171-F319 AromaticContact CD2-CD2 3.56Å; F171-F319 HydrophobicContact CD2-CD2 3.56Å; F171-F319 AromaticContact CD2-CE2 3.38Å; F171-F319 HydrophobicContact CD2-CE2 3.38Å; F171-F319 HydrophobicContact CD2-CG 4.29Å; F171-F319 AromaticContact CD2-CZ 4Å; F171-F319 HydrophobicContact CD2-CZ 4Å; F171-F319 HydrophobicContact CE1-CE2 4.11Å; F171-F319 HydrophobicContact CE2-CD2 4.21Å; F171-F319 AromaticContact CE2-CE2 3.54Å; F171-F319 HydrophobicContact CE2-CE2 3.54Å; F171-F319 AromaticContact CE2-CZ 3.86Å; F171-F319 HydrophobicContact CE2-CZ 3.86Å; F171-F319 AromaticContact CG-CD2 3.56Å; F171-F319 HydrophobicContact CG-CD2 3.56Å; F171-F319 AromaticContact CG-CE2 3.64Å; F171-F319 HydrophobicContact CG-CE2 3.64Å; F171-F319 AromaticContact CZ-CE2 3.91Å; F171-F319 HydrophobicContact CZ-CE2 3.91Å; F171-F319 HydrophobicContact CZ-CZ 4.38Å; F171-L331 HydrophobicContact CB-CD1 4.16Å; F171-L331 HydrophobicContact CD1-CD1 3.71Å; F171-L331 HydrophobicContact CG-CD1 4.19Å; F171-P365 HydrophobicContact CD1-CB 4.22Å; F171-P365 HydrophobicContact CD1-CG 3.32Å; F171-P365 HydrophobicContact CE1-CB 3.8Å; F171-P365 HydrophobicContact CE1-CG 3.37Å; F171-V366 HydrophobicContact CD1-CG2 4.38Å; F171-V366 HydrophobicContact CE1-CG2 3.73Å; F171-V366 HydrophobicContact CZ-CG2 4.24Å
172G97.5Very high97.8Very high0 Ų027.1 Ų27.10%013%0.131CC..SBendtrans75.934.4-176.700000113.1S169 T170 A327S169-G172 PolarHBondContact O-N 3.16Å; T170-G172 VanDerWaalsContact C-N 3.3Å; G172-A327 WeakPolarHBondContact O-CB 3.36Å; G172-A327 PolarHBondContact O-N 2.98Å
173L97.3Very high97.8Very high2 Ų231.4 Ų31.41%0.0115%0.153CC..  trans-120.6137.9-176.4-59.2-179.4000112.9N141 P168 S169 F171 D175 F319N141-L173 WeakPolarHBondContact O-CD1 3.35Å; P168-L173 CarbonylContact C-O 3.5Å; P168-L173 VanDerWaalsContact CA-O 3.25Å; P168-L173 WeakPolarHBondContact CA-O 3.16Å; P168-L173 WeakPolarHBondContact CB-O 3.44Å; S169-L173 PolarHBondContact N-O 3.12Å; F171-L173 HydrophobicContact CB-CD1 4.36Å; F171-L173 HydrophobicContact CB-CG 4.27Å; L173-D175 PolarHBondContact O-N 3.24Å; L173-F319 HydrophobicContact CD1-CB 3.69Å; L173-F319 HydrophobicContact CD1-CG 4.37Å; L173-F319 HydrophobicContact CD2-CB 4.22Å; L173-F319 HydrophobicContact CG-CB 4.17Å
174F97.4Very high97.8Very high68 Ų6833.1 Ų33.130%0.29816%0.162SC..  trans-83.3106.4163.6-68.6-76.4000108.8Y167 P168 E176 A201 I301 A327Y167-F174 HydrophobicContact CD1-CD1 4.46Å; Y167-F174 AromaticContact CE1-CD1 3.72Å; Y167-F174 HydrophobicContact CE1-CD1 3.72Å; Y167-F174 HydrophobicContact CE1-CE1 4.25Å; Y167-F174 HydrophobicContact CE2-CD1 4.44Å; Y167-F174 AromaticContact CZ-CD1 3.72Å; P168-F174 HydrophobicContact CB-CD1 3.99Å; P168-F174 HydrophobicContact CB-CE1 4.05Å; P168-F174 HydrophobicContact CB-CG 4.3Å; P168-F174 HydrophobicContact CB-CZ 4.42Å; P168-F174 HydrophobicContact CG-CE1 4.15Å; P168-F174 HydrophobicContact CG-CZ 4.32Å; F174-E176 PolarHBondContact O-N 3.42Å; F174-A201 HydrophobicContact CE1-CB 4.45Å; F174-A201 HydrophobicContact CZ-CB 3.83Å; F174-A201 WeakPolarHBondContact CZ-O 3.42Å; F174-I301 HydrophobicContact CE2-CD1 4.38Å; F174-I301 HydrophobicContact CZ-CD1 4.33Å; F174-A327 HydrophobicContact CD2-CB 3.88Å; F174-A327 HydrophobicContact CE2-CB 3.49Å; F174-A327 VanDerWaalsContact CE2-CB 3.49Å; F174-A327 HydrophobicContact CZ-CB 4.04Å
175D95Very high97.8Very high14 Ų1433.1 Ų33.18%0.07516%0.162CC..  trans-64.3126.3172.3-161.4-46.6000109.8I144 Y167 L173 R177I144-D175 PolarHBondContact N-OD2 2.81Å; Y167-D175 HydrophobicContact CE2-CB 4.13Å; Y167-D175 WeakPolarHBondContact CE2-O 3.39Å; Y167-D175 PolarHBondContact OH-O 2.94Å; L173-D175 PolarHBondContact O-N 3.24Å; D175-R177 VanDerWaalsContact C-N 3.28Å; D175-R177 PolarHBondContact O-N 2.8Å; D175-R177 PolarHBondContact OD1-N 3.46Å
176E95.4Very high97.8Very high143 Ų14336 Ų3667%0.66818%0.176SC*.THydrogen-bonded Turntrans-75.8-17.2-177.2-62.5-167.515400112.8F174 S322F174-E176 PolarHBondContact O-N 3.42Å; E176-S322 WeakPolarHBondContact OE1-CB 3.24Å; E176-S322 PolarHBondContact OE1-OG 2.75Å
177R96.5Very high97.7Very high114 Ų11439.7 Ų39.743%0.4320%0.202SC..THydrogen-bonded Turntrans-99.715.2-178.7-67.4-175.4175.5-127.7-0.2113.2W146 D175 V179 D180 I181W146-R177 VanDerWaalsContact CD1-NH1 3.29Å; W146-R177 VanDerWaalsContact CG-NH1 3.33Å; D175-R177 VanDerWaalsContact C-N 3.28Å; D175-R177 PolarHBondContact O-N 2.8Å; D175-R177 PolarHBondContact OD1-N 3.46Å; R177-V179 PolarHBondContact O-N 3.1Å; R177-V179 VanDerWaalsContact O-N 3.13Å; R177-D180 HydrophobicContact CB-CB 4.41Å; R177-D180 PolarHBondContact O-N 3.17Å; R177-I181 HydrophobicContact CB-CD1 4.27Å; R177-I181 HydrophobicContact CB-CG1 4.34Å; R177-I181 VanDerWaalsContact O-CG1 3.31Å; R177-I181 WeakPolarHBondContact O-CG1 3.36Å; R177-I181 PolarHBondContact O-N 3.41Å
178I98Very high97.6Very high10 Ų1040 Ų405%0.05121%0.207CC..Hα-helixtrans-56.5-37-171-163.960.9000113.6I165 Y167 C182 Y211 F213I165-I178 HydrophobicContact CD1-CD1 4.38Å; I165-I178 HydrophobicContact CG2-CD1 3.96Å; Y167-I178 HydrophobicContact CD2-CB 4.17Å; Y167-I178 HydrophobicContact CD2-CD1 3.67Å; Y167-I178 HydrophobicContact CD2-CG1 3.69Å; Y167-I178 HydrophobicContact CE2-CB 3.69Å; Y167-I178 HydrophobicContact CE2-CD1 4.09Å; Y167-I178 HydrophobicContact CE2-CG1 3.74Å; Y167-I178 HydrophobicContact CE2-CG2 4Å; Y167-I178 HydrophobicContact CG-CD1 4.3Å; Y167-I178 HydrophobicContact CG-CG1 4.16Å; I178-C182 PolarHBondContact O-N 3.26Å; I178-C182 VanDerWaalsContact O-N 3.12Å; I178-C182 PolarHBondContact O-SG 2.72Å; I178-Y211 HydrophobicContact CG1-CD2 4.27Å; I178-Y211 HydrophobicContact CG1-CE2 4.33Å; I178-Y211 HydrophobicContact CG2-CD2 4.23Å; I178-F213 HydrophobicContact CD1-CE2 4.13Å; I178-F213 HydrophobicContact CD1-CZ 3.91Å; I178-F213 HydrophobicContact CG1-CE2 3.87Å; I178-F213 HydrophobicContact CG1-CZ 4.19Å
179V98.4Very high97.5Very high67 Ų6741 Ų4141%0.40622%0.217SC..Hα-helixtrans-67.7-50175.4177.40000110.6R177 I181 C182 D183R177-V179 PolarHBondContact O-N 3.1Å; R177-V179 VanDerWaalsContact O-N 3.13Å; V179-I181 PolarHBondContact O-N 2.84Å; V179-C182 PolarHBondContact O-N 3.43Å; V179-D183 PolarHBondContact O-N 3.31Å
180D98.5Very high97.6Very high81 Ų8140.1 Ų40.143%0.43321%0.212SC..Hα-helixtrans-58.4-36.3178.8-58.4-34.5000111.9W146 R177 L184W146-D180 HydrophobicContact CH2-CB 3.73Å; W146-D180 HydrophobicContact CZ3-CB 3.94Å; R177-D180 HydrophobicContact CB-CB 4.41Å; R177-D180 PolarHBondContact O-N 3.17Å; D180-L184 VanDerWaalsContact O-CB 3.3Å; D180-L184 WeakPolarHBondContact O-CB 3.35Å; D180-L184 PolarHBondContact O-N 3.02Å
181I98.5Very high97.6Very high2 Ų240.7 Ų40.71%0.0121%0.214CC..Hα-helixtrans-65.2-48.6175.5-67.9167.6000110.2I144 W146 L149 M163 I165 R177 V179 L184 I185I144-I181 HydrophobicContact CB-CD1 4.11Å; I144-I181 HydrophobicContact CD1-CD1 3.97Å; I144-I181 HydrophobicContact CG2-CD1 4.36Å; W146-I181 HydrophobicContact CE3-CG1 4.06Å; W146-I181 HydrophobicContact CZ3-CG1 3.74Å; L149-I181 HydrophobicContact CD2-CB 4.31Å; L149-I181 HydrophobicContact CD2-CG1 3.85Å; L149-I181 HydrophobicContact CD2-CG2 3.91Å; M163-I181 HydrophobicContact CE-CG2 3.81Å; M163-I181 HydrophobicContact SD-CG2 3.79Å; I165-I181 HydrophobicContact CD1-CG2 3.58Å; R177-I181 HydrophobicContact CB-CD1 4.27Å; R177-I181 HydrophobicContact CB-CG1 4.34Å; R177-I181 VanDerWaalsContact O-CG1 3.31Å; R177-I181 WeakPolarHBondContact O-CG1 3.36Å; R177-I181 PolarHBondContact O-N 3.41Å; V179-I181 PolarHBondContact O-N 2.84Å; I181-L184 PolarHBondContact O-N 2.88Å; I181-I185 WeakPolarHBondContact O-CG1 3.2Å; I181-I185 PolarHBondContact O-N 3.15Å
182C98.7Very high97.7Very high0 Ų040.2 Ų40.20%021%0.212CC..Hα-helixtrans-61.4-47.1178.3-63.40000111.3I178 V179 L184 I185 H186 V192 Y211I178-C182 PolarHBondContact O-N 3.26Å; I178-C182 VanDerWaalsContact O-N 3.12Å; I178-C182 PolarHBondContact O-SG 2.72Å; V179-C182 PolarHBondContact O-N 3.43Å; C182-L184 VanDerWaalsContact C-N 3.3Å; C182-L184 PolarHBondContact O-N 3.49Å; C182-I185 PolarHBondContact O-N 3.11Å; C182-I185 VanDerWaalsContact O-N 3.16Å; C182-H186 PolarHBondContact O-N 3.28Å; C182-V192 HydrophobicContact CB-CG2 4.17Å; C182-Y211 PolarHBondContact SG-O 3.49Å
183D98.6Very high97.8Very high90 Ų9040.2 Ų40.248%0.48121%0.212SC..Hα-helixtrans-59.5-40.1179-73.6-13000111.7V179 H186 S187V179-D183 PolarHBondContact O-N 3.31Å; D183-H186 PolarHBondContact O-N 3.16Å; D183-S187 WeakPolarHBondContact O-CB 3.39Å; D183-S187 PolarHBondContact O-N 2.79Å
184L98.6Very high97.9Very high35 Ų3540.1 Ų40.118%0.18321%0.212CC..Hα-helixtrans-61.5-46.3176.1177.361.9000111.7W146 L149 R150 V153 D180 I181 C182 S187W146-L184 HydrophobicContact CH2-CB 4.46Å; W146-L184 HydrophobicContact CH2-CD2 4.16Å; W146-L184 HydrophobicContact CZ3-CD2 4.38Å; L149-L184 HydrophobicContact CD2-CD2 4.05Å; L149-L184 HydrophobicContact CG-CD2 3.99Å; R150-L184 HydrophobicContact CG-CD2 3.93Å; V153-L184 HydrophobicContact CB-CD2 4.45Å; V153-L184 HydrophobicContact CB-CG 4.44Å; V153-L184 HydrophobicContact CG1-CD1 4.04Å; V153-L184 HydrophobicContact CG1-CG 4.14Å; V153-L184 HydrophobicContact CG2-CD2 4.07Å; V153-L184 HydrophobicContact CG2-CG 4.15Å; D180-L184 VanDerWaalsContact O-CB 3.3Å; D180-L184 WeakPolarHBondContact O-CB 3.35Å; D180-L184 PolarHBondContact O-N 3.02Å; I181-L184 PolarHBondContact O-N 2.88Å; C182-L184 VanDerWaalsContact C-N 3.3Å; C182-L184 PolarHBondContact O-N 3.49Å; L184-S187 PolarHBondContact O-N 3.35Å; L184-S187 PolarHBondContact O-OG 3.1Å
185I98.7Very high97.9Very high0 Ų037 Ų370%020%0.198CC..Hα-helixtrans-65.1-44.2179-60.9-58.7000111.1L113 L149 V153 L160 M163 I181 C182 S187 C188 G190 V192L113-I185 HydrophobicContact CD1-CD1 3.82Å; L149-I185 HydrophobicContact CD1-CD1 4.41Å; V153-I185 HydrophobicContact CG2-CD1 3.72Å; L160-I185 HydrophobicContact CD2-CD1 3.97Å; L160-I185 HydrophobicContact CD2-CG2 4.38Å; M163-I185 HydrophobicContact CB-CD1 3.89Å; M163-I185 HydrophobicContact CB-CG1 3.83Å; M163-I185 HydrophobicContact CB-CG2 4.2Å; M163-I185 HydrophobicContact CG-CD1 4.34Å; M163-I185 HydrophobicContact CG-CG1 4.35Å; M163-I185 HydrophobicContact SD-CD1 3.57Å; M163-I185 VanDerWaalsContact SD-CD1 3.57Å; M163-I185 HydrophobicContact SD-CG1 3.56Å; M163-I185 VanDerWaalsContact SD-CG1 3.56Å; I181-I185 WeakPolarHBondContact O-CG1 3.2Å; I181-I185 PolarHBondContact O-N 3.15Å; C182-I185 PolarHBondContact O-N 3.11Å; C182-I185 VanDerWaalsContact O-N 3.16Å; I185-S187 VanDerWaalsContact C-N 3.31Å; I185-S187 PolarHBondContact O-N 3.25Å; I185-C188 PolarHBondContact O-N 3.33Å; I185-G190 PolarHBondContact O-N 3.14Å; I185-G190 VanDerWaalsContact O-N 3.07Å; I185-V192 HydrophobicContact CB-CG2 3.91Å; I185-V192 HydrophobicContact CG2-CG2 3.9Å
186H98.6Very high98.1Very high64 Ų6436.3 Ų36.330%0.29620%0.195SC..Hα-helixtrans-61.6-37.9176.2-71.3167.1000112.4C182 D183 C188 G189 G190 G212 D214C182-H186 PolarHBondContact O-N 3.28Å; D183-H186 PolarHBondContact O-N 3.16Å; H186-C188 PolarHBondContact O-N 2.84Å; H186-C188 VanDerWaalsContact O-N 3.11Å; H186-G189 PolarHBondContact O-N 3.12Å; H186-G190 PolarHBondContact CD2-O 3.35Å; H186-G212 PolarHBondContact CE1-O 2.81Å; H186-G212 PolarHBondContact NE2-O 2.96Å; H186-D214 IonicContact CD2-OD2 3.83Å; H186-D214 IonicContact CE1-OD1 3.65Å; H186-D214 IonicContact CE1-OD2 2.64Å; H186-D214 IonicContact NE2-OD1 3.84Å; H186-D214 PolarHBondContact NE2-OD1 3.49Å; H186-D214 IonicContact NE2-OD2 3.62Å; H186-D214 PolarHBondContact NE2-OD2 3.48Å
187S97.7Very high98.2Very high89 Ų8929.6 Ų29.662%0.62216%0.163SC*.Hα-helixtrans-59.8-24.4179800000113.7D183 L184 I185D183-S187 WeakPolarHBondContact O-CB 3.39Å; D183-S187 PolarHBondContact O-N 2.79Å; L184-S187 PolarHBondContact O-N 3.35Å; L184-S187 PolarHBondContact O-OG 3.1Å; I185-S187 VanDerWaalsContact C-N 3.31Å; I185-S187 PolarHBondContact O-N 3.25Å
188C96.1Very high98.3Very high31 Ų3124.2 Ų24.221%0.20914%0.143CC..THydrogen-bonded Turntrans-99.44.3177.4-71.70000113.5R109 V153 L160 I185 H186R109-C188 PolarHBondContact NH1-O 3.41Å; R109-C188 PolarHBondContact NH2-O 3.04Å; V153-C188 HydrophobicContact CG1-CB 4.27Å; V153-C188 WeakPolarHBondContact CG1-SG 3.26Å; L160-C188 HydrophobicContact CD2-CB 4.04Å; I185-C188 PolarHBondContact O-N 3.33Å; H186-C188 PolarHBondContact O-N 2.84Å; H186-C188 VanDerWaalsContact O-N 3.11Å
189G96.5Very high98.4Very high21 Ų2123.7 Ų23.722%0.21614%0.141CC..THydrogen-bonded Turntrans83.57.9-18000000114.9H186H186-G189 PolarHBondContact O-N 3.12Å
190G98.4Very high98.4Very high0 Ų020.6 Ų20.60%012%0.122CC..  trans-73.6168.3173.800000112.3I185 H186I185-G190 PolarHBondContact O-N 3.14Å; I185-G190 VanDerWaalsContact O-N 3.07Å; H186-G190 PolarHBondContact CD2-O 3.35Å
191Q98.8Very high98.4Very high13 Ų1316.8 Ų16.86%0.06110%0.101CC..EExtended strand (participates in β ladder)trans-112.2152.8171.2-62.5-67-84.300110.7V97 Y100 G161 C162 M163 D214 H243V97-Q191 HydrophobicContact CG1-CB 3.83Å; V97-Q191 HydrophobicContact CG1-CG 3.85Å; V97-Q191 HydrophobicContact CG2-CB 3.83Å; V97-Q191 HydrophobicContact CG2-CG 4.2Å; Y100-Q191 HydrophobicContact CD1-CG 4.2Å; Y100-Q191 HydrophobicContact CE1-CG 4.24Å; G161-Q191 PolarHBondContact O-N 3.15Å; C162-Q191 CarbonylContact C-O 3.51Å; C162-Q191 WeakPolarHBondContact CA-O 3.5Å; C162-Q191 PolarHBondContact SG-O 3.04Å; C162-Q191 VanDerWaalsContact SG-O 3.33Å; M163-Q191 PolarHBondContact N-O 3.14Å; Q191-D214 VanDerWaalsContact CA-OD2 3.32Å; Q191-D214 WeakPolarHBondContact CA-OD2 3.37Å; Q191-H243 PolarHBondContact OE1-CD2 2.73Å; Q191-H243 PolarHBondContact OE1-NE2 3.13Å
192V98.9Very high98.4Very high0 Ų016.7 Ų16.70%010%0.101CC..EExtended strand (participates in β ladder)trans-111.6115.8-178.5-166.60000109.9I165 C182 I185 F213 D214 V215I165-V192 HydrophobicContact CD1-CG1 3.8Å; I165-V192 HydrophobicContact CG1-CG1 4.35Å; C182-V192 HydrophobicContact CB-CG2 4.17Å; I185-V192 HydrophobicContact CB-CG2 3.91Å; I185-V192 HydrophobicContact CG2-CG2 3.9Å; V192-F213 HydrophobicContact CB-CD1 4.27Å; V192-F213 HydrophobicContact CG1-CD1 3.54Å; V192-F213 HydrophobicContact CG1-CE1 3.52Å; V192-F213 HydrophobicContact CG1-CG 4.41Å; V192-F213 HydrophobicContact CG1-CZ 4.3Å; V192-D214 PolarHBondContact N-OD2 2.88Å; V192-D214 PolarHBondContact O-N 2.9Å; V192-V215 PolarHBondContact O-N 2.91Å
193Y98.9Very high98.4Very high0 Ų016.9 Ų16.90%010%0.102CC..EExtended strand (participates in β ladder)trans-96127.5175.7177.4-82.8000110.3E90 M163 M164 I165 D195 V215 H217E90-Y193 WeakPolarHBondContact CA-OH 3.38Å; E90-Y193 HydrophobicContact CB-CE1 4.49Å; E90-Y193 HydrophobicContact CG-CE1 4.02Å; E90-Y193 WeakPolarHBondContact CG-OH 3.46Å; E90-Y193 PolarHBondContact N-OH 3.39Å; M163-Y193 PolarHBondContact O-N 2.81Å; M164-Y193 WeakPolarHBondContact CA-O 3.4Å; M164-Y193 HydrophobicContact CB-CD1 4.12Å; M164-Y193 HydrophobicContact CE-CD1 3.61Å; M164-Y193 HydrophobicContact CE-CE1 3.57Å; M164-Y193 HydrophobicContact CE-CG 4.36Å; M164-Y193 HydrophobicContact CG-CD1 3.91Å; M164-Y193 HydrophobicContact CG-CG 4.24Å; I165-Y193 PolarHBondContact N-O 3.38Å; Y193-D195 HydrophobicContact CE1-CB 4.28Å; Y193-V215 CarbonylContact C-O 3.52Å; Y193-V215 WeakPolarHBondContact CA-O 3.43Å; Y193-V215 HydrophobicContact CD2-CG1 3.73Å; Y193-V215 HydrophobicContact CD2-CG2 4.18Å; Y193-V215 HydrophobicContact CE2-CG2 4.28Å; Y193-V215 HydrophobicContact CG-CG1 4.43Å; Y193-H217 AromaticContact CZ-ND1 3.79Å; Y193-H217 WeakPolarHBondContact OH-CB 3.31Å; Y193-H217 VanDerWaalsContact OH-CG 3.28Å; Y193-H217 PolarHBondContact OH-ND1 3.32Å
194L98.8Very high98.4Very high0 Ų014.5 Ų14.50%010%0.099CC..EExtended strand (participates in β ladder)trans-94123.9168.3-176.774.3000110.9I165 G196 M199 P208 F213 V215 A216 H217I165-L194 CarbonylContact O-C 3.59Å; I165-L194 WeakPolarHBondContact O-CA 3.24Å; L194-G196 PolarHBondContact O-N 3.41Å; L194-M199 HydrophobicContact CD2-SD 4.47Å; L194-P208 HydrophobicContact CD2-CB 3.45Å; L194-P208 VanDerWaalsContact CD2-CB 3.45Å; L194-P208 HydrophobicContact CD2-CG 3.61Å; L194-F213 HydrophobicContact CB-CB 4.39Å; L194-F213 HydrophobicContact CB-CD1 3.38Å; L194-F213 HydrophobicContact CB-CE1 3.64Å; L194-F213 HydrophobicContact CB-CG 3.9Å; L194-F213 HydrophobicContact CB-CZ 4.44Å; L194-F213 HydrophobicContact CD1-CD1 4.17Å; L194-F213 HydrophobicContact CD1-CE1 3.68Å; L194-F213 HydrophobicContact CD1-CE2 4.19Å; L194-F213 HydrophobicContact CD1-CZ 3.68Å; L194-F213 HydrophobicContact CG-CD1 4.32Å; L194-F213 HydrophobicContact CG-CE1 4.26Å; L194-V215 PolarHBondContact N-O 3.31Å; L194-A216 HydrophobicContact CB-CB 3.66Å; L194-A216 HydrophobicContact CD2-CB 3.92Å; L194-A216 HydrophobicContact CG-CB 4.24Å; L194-A216 VanDerWaalsContact O-CA 3.24Å; L194-A216 WeakPolarHBondContact O-CA 3.17Å; L194-H217 PolarHBondContact O-N 3.18Å
195D98.7Very high98.4Very high3 Ų316.4 Ų16.42%0.01611%0.109CC..EExtended strand (participates in β ladder)trans-74.2101.3153.9173.6-0.2000109.1I165 T166 Y193 A197 H217I165-D195 PolarHBondContact O-N 3.08Å; T166-D195 HydrophobicContact CG2-CB 4.21Å; T166-D195 WeakPolarHBondContact OG1-CB 3.42Å; T166-D195 PolarHBondContact OG1-OD2 2.89Å; Y193-D195 HydrophobicContact CE1-CB 4.28Å; D195-A197 VanDerWaalsContact C-N 3.27Å; D195-A197 PolarHBondContact O-N 3.4Å; D195-A197 WeakPolarHBondContact OD1-CB 3.08Å; D195-A197 PolarHBondContact OD1-N 3.27Å; D195-H217 IonicContact OD1-CE1 3.8Å; D195-H217 PolarHBondContact OD1-CE1 2.84Å; D195-H217 IonicContact OD1-ND1 3.37Å; D195-H217 IonicContact OD1-NE2 2.96Å
196G98.5Very high98.4Very high0 Ų018.3 Ų18.30%012%0.122CC..G310 helixtrans-86.617.3-177.400000114.1L194 N198 M199 H217L194-G196 PolarHBondContact O-N 3.41Å; G196-N198 PolarHBondContact O-N 3.05Å; G196-M199 WeakPolarHBondContact O-CB 3.32Å; G196-M199 WeakPolarHBondContact O-CG 3.35Å; G196-M199 PolarHBondContact O-N 2.88Å; G196-M199 VanDerWaalsContact O-N 3.16Å; G196-H217 WeakPolarHBondContact CA-O 3.47Å; G196-H217 PolarHBondContact N-O 3.49Å; G196-H217 VanDerWaalsContact N-O 3.16Å
197A98.2Very high98.4Very high2 Ų218.8 Ų18.82%0.01712%0.121CC..G310 helixtrans-56.4-30.1173.800000112.7D195 N219 K222D195-A197 VanDerWaalsContact C-N 3.27Å; D195-A197 PolarHBondContact O-N 3.4Å; D195-A197 WeakPolarHBondContact OD1-CB 3.08Å; D195-A197 PolarHBondContact OD1-N 3.27Å; A197-N219 WeakPolarHBondContact CA-OD1 3.29Å; A197-N219 WeakPolarHBondContact CB-OD1 3.21Å; A197-K222 HydrophobicContact CB-CD 4.28Å
198N98.6Very high98.4Very high0 Ų014.6 Ų14.60%09%0.091CC..G310 helixtrans-94.417.9-178.2-77.2-1.5000113.8T166 P168 S169 G196 N200 A201 H328 E329T166-N198 HydrophobicContact CG2-CB 4.31Å; P168-N198 HydrophobicContact CG-CB 4.06Å; P168-N198 PolarHBondContact O-ND2 3.33Å; S169-N198 PolarHBondContact O-ND2 2.81Å; G196-N198 PolarHBondContact O-N 3.05Å; N198-N200 PolarHBondContact O-N 2.97Å; N198-A201 PolarHBondContact O-N 3.35Å; N198-A201 VanDerWaalsContact O-N 3.09Å; N198-H328 PolarHBondContact ND2-CE1 2.7Å; N198-H328 PolarHBondContact OD1-NE2 3.46Å; N198-E329 PolarHBondContact ND2-OE1 2.93Å
199M98.7Very high98.5Very high0 Ų013.5 Ų13.50%09%0.085CC..G310 helixtrans-61.6-14.5178.2-81.6-70.8-58.800114.3T74 L194 G196 A201 Q202 V203 P208 L218 T223T74-M199 HydrophobicContact CG2-CE 3.96Å; L194-M199 HydrophobicContact CD2-SD 4.47Å; G196-M199 WeakPolarHBondContact O-CB 3.32Å; G196-M199 WeakPolarHBondContact O-CG 3.35Å; G196-M199 PolarHBondContact O-N 2.88Å; G196-M199 VanDerWaalsContact O-N 3.16Å; M199-A201 PolarHBondContact O-N 2.72Å; M199-A201 VanDerWaalsContact O-N 3.14Å; M199-Q202 HydrophobicContact CE-CB 4.02Å; M199-Q202 PolarHBondContact O-N 2.62Å; M199-Q202 HydrophobicContact SD-CB 3.79Å; M199-Q202 HydrophobicContact SD-CG 4.03Å; M199-V203 HydrophobicContact CE-CG2 3.91Å; M199-V203 WeakPolarHBondContact O-CG2 3.48Å; M199-V203 PolarHBondContact O-N 3.3Å; M199-V203 VanDerWaalsContact O-N 3.12Å; M199-P208 HydrophobicContact SD-CG 4.18Å; M199-L218 HydrophobicContact CB-CD2 4.36Å; M199-L218 HydrophobicContact CG-CD2 3.61Å; M199-T223 HydrophobicContact CB-CG2 4.07Å
200N98.9Very high98.6Very high2 Ų217.1 Ų17.11%0.01110%0.1CC..G310 helixtrans-64.3-14.8173.5-154.846.7000113.6T27 K29 N198 T223 T297 E376T27-N200 HydrophobicContact CG2-CB 3.9Å; T27-N200 WeakPolarHBondContact CG2-ND2 3.43Å; K29-N200 WeakPolarHBondContact CE-OD1 3.43Å; K29-N200 PolarHBondContact NZ-OD1 2.93Å; N198-N200 PolarHBondContact O-N 2.97Å; N200-T223 HydrophobicContact CB-CG2 4.16Å; N200-T297 WeakPolarHBondContact O-CG2 3.43Å; N200-E376 PolarHBondContact ND2-OE2 3.01Å
201A98.8Very high98.6Very high0 Ų018.5 Ų18.50%011%0.105CC..G310 helixtrans-92.7-2.9171.300000113.4P168 F174 N198 M199 T297 A327 H328P168-A201 HydrophobicContact CG-CB 3.57Å; F174-A201 HydrophobicContact CE1-CB 4.45Å; F174-A201 HydrophobicContact CZ-CB 3.83Å; F174-A201 WeakPolarHBondContact CZ-O 3.42Å; N198-A201 PolarHBondContact O-N 3.35Å; N198-A201 VanDerWaalsContact O-N 3.09Å; M199-A201 PolarHBondContact O-N 2.72Å; M199-A201 VanDerWaalsContact O-N 3.14Å; A201-T297 WeakPolarHBondContact O-CG2 3.33Å; A201-A327 HydrophobicContact CB-CB 4.33Å; A201-H328 HydrophobicContact CB-CB 3.85Å; A201-H328 WeakPolarHBondContact CB-ND1 3.27Å
202Q98.8Very high98.6Very high0 Ų018.8 Ų18.80%011%0.112CC..THydrogen-bonded Turntrans-118.1-40.1-170.1-63.3-158.940.900114.8Y167 M199 G204 L205 C206 Y211Y167-Q202 PolarHBondContact O-NE2 3.19Å; M199-Q202 HydrophobicContact CE-CB 4.02Å; M199-Q202 PolarHBondContact O-N 2.62Å; M199-Q202 HydrophobicContact SD-CB 3.79Å; M199-Q202 HydrophobicContact SD-CG 4.03Å; Q202-G204 PolarHBondContact O-N 2.91Å; Q202-G204 VanDerWaalsContact O-N 3.13Å; Q202-L205 WeakPolarHBondContact O-CA 3.39Å; Q202-L205 WeakPolarHBondContact O-CB 3.38Å; Q202-L205 PolarHBondContact O-N 3.29Å; Q202-C206 PolarHBondContact O-N 3.39Å; Q202-C206 VanDerWaalsContact O-N 3.08Å; Q202-Y211 VanDerWaalsContact CD-OH 3.22Å; Q202-Y211 PolarHBondContact NE2-OH 3.13Å; Q202-Y211 PolarHBondContact OE1-OH 3.32Å
203V98.7Very high98.5Very high5 Ų518.8 Ų18.83%0.0311%0.112CC..THydrogen-bonded Turntrans-51.8120.5-168.4172.70000111.4M73 M199 L205 T223 F224 L293 T297M73-V203 HydrophobicContact CG-CG1 4.28Å; M73-V203 HydrophobicContact SD-CG1 3.67Å; M199-V203 HydrophobicContact CE-CG2 3.91Å; M199-V203 WeakPolarHBondContact O-CG2 3.48Å; M199-V203 PolarHBondContact O-N 3.3Å; M199-V203 VanDerWaalsContact O-N 3.12Å; V203-L205 VanDerWaalsContact C-N 3.29Å; V203-L205 PolarHBondContact O-N 2.66Å; V203-T223 HydrophobicContact CG2-CG2 4.2Å; V203-F224 HydrophobicContact CG2-CE1 4.46Å; V203-F224 HydrophobicContact CG2-CZ 4.1Å; V203-L293 HydrophobicContact CG1-CB 3.88Å; V203-L293 HydrophobicContact CG1-CD2 4.47Å; V203-T297 VanDerWaalsContact O-CB 3.26Å; V203-T297 WeakPolarHBondContact O-CB 3.29Å; V203-T297 PolarHBondContact O-OG1 3.23Å
204G98.4Very high98.5Very high40 Ų4019.4 Ų19.441%0.41212%0.115SC..THydrogen-bonded Turntrans78.23.7-179.800000115.8Q202 R294Q202-G204 PolarHBondContact O-N 2.91Å; Q202-G204 VanDerWaalsContact O-N 3.13Å; G204-R294 WeakPolarHBondContact O-CD 3.43Å; G204-R294 WeakPolarHBondContact O-CG 3.5Å
205L98.6Very high98.6Very high75 Ų7519.4 Ų19.439%0.39312%0.115SC..THydrogen-bonded Turntrans-114.4-45.7174.3-60.3-175000112.4Q202 V203 R294 T297 Q298 I301Q202-L205 WeakPolarHBondContact O-CA 3.39Å; Q202-L205 WeakPolarHBondContact O-CB 3.38Å; Q202-L205 PolarHBondContact O-N 3.29Å; V203-L205 VanDerWaalsContact C-N 3.29Å; V203-L205 PolarHBondContact O-N 2.66Å; L205-R294 HydrophobicContact CD2-CG 4.02Å; L205-T297 HydrophobicContact CD1-CG2 3.46Å; L205-T297 VanDerWaalsContact CD1-CG2 3.46Å; L205-T297 HydrophobicContact CG-CG2 3.82Å; L205-Q298 HydrophobicContact CD1-CG 4.49Å; L205-Q298 HydrophobicContact CD2-CG 3.99Å; L205-I301 HydrophobicContact CD1-CD1 3.84Å
206C98.5Very high98.6Very high40 Ų4019.3 Ų19.327%0.2712%0.115SC..  trans-149.1163.3176.959.90000110.2Q202 Y211Q202-C206 PolarHBondContact O-N 3.39Å; Q202-C206 VanDerWaalsContact O-N 3.08Å; C206-Y211 HydrophobicContact CB-CE1 4.04Å
207R98.8Very high98.6Very high74 Ų7419.4 Ų19.428%0.27912%0.115SC..  trans-133.9122.4-175.1-53.3-167.9-60.81767.3110.9E72 M73 T74 G209 D210 Y211E72-R207 WeakPolarHBondContact O-CD 3.29Å; E72-R207 PolarHBondContact O-NH1 3.2Å; E72-R207 VanDerWaalsContact O-NH1 3.15Å; E72-R207 IonicContact OE1-NH1 2.82Å; E72-R207 PolarHBondContact OE1-NH1 3.18Å; E72-R207 IonicContact OE2-NH1 3.53Å; M73-R207 WeakPolarHBondContact O-CG 3.49Å; T74-R207 CarbonylContact O-C 3.55Å; R207-G209 VanDerWaalsContact C-N 3.29Å; R207-G209 PolarHBondContact O-N 2.88Å; R207-D210 HydrophobicContact CB-CB 4.48Å; R207-D210 IonicContact CZ-OD1 3.28Å; R207-D210 IonicContact CZ-OD2 3.16Å; R207-D210 IonicContact NE-OD1 3.41Å; R207-D210 IonicContact NE-OD2 3.92Å; R207-D210 PolarHBondContact NE-OD2 3.38Å; R207-D210 VanDerWaalsContact NH2-CG 3.34Å; R207-D210 IonicContact NH2-OD1 3.87Å; R207-D210 PolarHBondContact NH2-OD1 3.46Å; R207-D210 IonicContact NH2-OD2 3.56Å; R207-D210 PolarHBondContact NH2-OD2 2.88Å; R207-D210 WeakPolarHBondContact O-CB 3.23Å; R207-D210 PolarHBondContact O-N 3Å; R207-Y211 WeakPolarHBondContact O-CD1 3.46Å; R207-Y211 WeakPolarHBondContact O-CE1 3.45Å
208P98.6Very high98.6Very high0 Ų019.3 Ų19.30%011%0.114CC..G310 helixtrans-57-35.6-174.921.4-34.1000116.1T74 F76 L194 M199 D210 Y211 F213T74-P208 VanDerWaalsContact O-CD 3.3Å; T74-P208 WeakPolarHBondContact O-CD 3.31Å; T74-P208 WeakPolarHBondContact O-CG 3.46Å; F76-P208 HydrophobicContact CE2-CB 4.49Å; F76-P208 HydrophobicContact CE2-CG 3.94Å; F76-P208 HydrophobicContact CZ-CB 4.32Å; F76-P208 HydrophobicContact CZ-CG 4.26Å; L194-P208 HydrophobicContact CD2-CB 3.45Å; L194-P208 VanDerWaalsContact CD2-CB 3.45Å; L194-P208 HydrophobicContact CD2-CG 3.61Å; M199-P208 HydrophobicContact SD-CG 4.18Å; P208-D210 PolarHBondContact O-N 3.19Å; P208-Y211 WeakPolarHBondContact CA-OH 3.42Å; P208-Y211 HydrophobicContact CB-CE2 4.14Å; P208-Y211 PolarHBondContact O-N 3.49Å; P208-F213 HydrophobicContact CB-CB 4.04Å; P208-F213 HydrophobicContact CB-CD2 3.94Å; P208-F213 HydrophobicContact CB-CG 4.14Å; P208-F213 WeakPolarHBondContact O-CB 3.33Å; P208-F213 PolarHBondContact O-N 3Å
209G98.4Very high98.6Very high8 Ų819.6 Ų19.68%0.08212%0.116CC..G310 helixtrans-64.9-17.3174.700000114.1T74 R207 K241T74-G209 PolarHBondContact O-N 3.04Å; R207-G209 VanDerWaalsContact C-N 3.29Å; R207-G209 PolarHBondContact O-N 2.88Å; G209-K241 WeakPolarHBondContact O-CE 3.07Å; G209-K241 PolarHBondContact O-NZ 3.49Å
210D98.6Very high98.6Very high98 Ų9819.7 Ų19.752%0.52412%0.116SC..G310 helixtrans-84.2-16.2178.2-65.5-15.3000112.8R207 P208R207-D210 HydrophobicContact CB-CB 4.48Å; R207-D210 IonicContact CZ-OD1 3.28Å; R207-D210 IonicContact CZ-OD2 3.16Å; R207-D210 IonicContact NE-OD1 3.41Å; R207-D210 IonicContact NE-OD2 3.92Å; R207-D210 PolarHBondContact NE-OD2 3.38Å; R207-D210 VanDerWaalsContact NH2-CG 3.34Å; R207-D210 IonicContact NH2-OD1 3.87Å; R207-D210 PolarHBondContact NH2-OD1 3.46Å; R207-D210 IonicContact NH2-OD2 3.56Å; R207-D210 PolarHBondContact NH2-OD2 2.88Å; R207-D210 WeakPolarHBondContact O-CB 3.23Å; R207-D210 PolarHBondContact O-N 3Å; P208-D210 PolarHBondContact O-N 3.19Å
211Y97Very high98.6Very high28 Ų2821.1 Ų21.111%0.1112%0.123CC..THydrogen-bonded Turntrans-126.828.3-173.353.8-105.2000113.8Y167 I178 C182 Q202 C206 R207 P208 F213Y167-Y211 HydrophobicContact CD1-CE2 4.02Å; Y167-Y211 AromaticContact CD1-CZ 3.91Å; Y167-Y211 WeakPolarHBondContact CD1-OH 3.16Å; Y167-Y211 HydrophobicContact CE1-CE2 4.28Å; I178-Y211 HydrophobicContact CG1-CD2 4.27Å; I178-Y211 HydrophobicContact CG1-CE2 4.33Å; I178-Y211 HydrophobicContact CG2-CD2 4.23Å; C182-Y211 PolarHBondContact SG-O 3.49Å; Q202-Y211 VanDerWaalsContact CD-OH 3.22Å; Q202-Y211 PolarHBondContact NE2-OH 3.13Å; Q202-Y211 PolarHBondContact OE1-OH 3.32Å; C206-Y211 HydrophobicContact CB-CE1 4.04Å; R207-Y211 WeakPolarHBondContact O-CD1 3.46Å; R207-Y211 WeakPolarHBondContact O-CE1 3.45Å; P208-Y211 WeakPolarHBondContact CA-OH 3.42Å; P208-Y211 HydrophobicContact CB-CE2 4.14Å; P208-Y211 PolarHBondContact O-N 3.49Å; Y211-F213 AromaticContact CD2-CD2 3.58Å; Y211-F213 HydrophobicContact CD2-CD2 3.58Å; Y211-F213 AromaticContact CD2-CE2 3.6Å; Y211-F213 HydrophobicContact CD2-CE2 3.6Å; Y211-F213 AromaticContact CE2-CD2 3.41Å; Y211-F213 HydrophobicContact CE2-CD2 3.41Å; Y211-F213 VanDerWaalsContact CE2-CD2 3.41Å; Y211-F213 AromaticContact CE2-CE2 3.31Å; Y211-F213 HydrophobicContact CE2-CE2 3.31Å
212G98.3Very high98.6Very high20 Ų2022.2 Ų22.221%0.20613%0.128CC..THydrogen-bonded Turntrans109.10.2162.400000116.4H186H186-G212 PolarHBondContact CE1-O 2.81Å; H186-G212 PolarHBondContact NE2-O 2.96Å
213F98.8Very high98.6Very high0 Ų022.2 Ų22.20%013%0.128CC..  trans-78135.8177.4-72.3-84.4000112.4F76 I165 I178 V192 L194 P208 Y211F76-F213 HydrophobicContact CE1-CB 4.38Å; F76-F213 WeakPolarHBondContact CE1-O 3.32Å; F76-F213 HydrophobicContact CZ-CB 4.09Å; I165-F213 HydrophobicContact CB-CE1 3.92Å; I165-F213 HydrophobicContact CB-CZ 4.05Å; I165-F213 HydrophobicContact CD1-CE1 4.26Å; I165-F213 HydrophobicContact CD1-CZ 4.23Å; I165-F213 HydrophobicContact CG1-CE1 4.4Å; I165-F213 HydrophobicContact CG2-CZ 4.27Å; I178-F213 HydrophobicContact CD1-CE2 4.13Å; I178-F213 HydrophobicContact CD1-CZ 3.91Å; I178-F213 HydrophobicContact CG1-CE2 3.87Å; I178-F213 HydrophobicContact CG1-CZ 4.19Å; V192-F213 HydrophobicContact CB-CD1 4.27Å; V192-F213 HydrophobicContact CG1-CD1 3.54Å; V192-F213 HydrophobicContact CG1-CE1 3.52Å; V192-F213 HydrophobicContact CG1-CG 4.41Å; V192-F213 HydrophobicContact CG1-CZ 4.3Å; L194-F213 HydrophobicContact CB-CB 4.39Å; L194-F213 HydrophobicContact CB-CD1 3.38Å; L194-F213 HydrophobicContact CB-CE1 3.64Å; L194-F213 HydrophobicContact CB-CG 3.9Å; L194-F213 HydrophobicContact CB-CZ 4.44Å; L194-F213 HydrophobicContact CD1-CD1 4.17Å; L194-F213 HydrophobicContact CD1-CE1 3.68Å; L194-F213 HydrophobicContact CD1-CE2 4.19Å; L194-F213 HydrophobicContact CD1-CZ 3.68Å; L194-F213 HydrophobicContact CG-CD1 4.32Å; L194-F213 HydrophobicContact CG-CE1 4.26Å; P208-F213 HydrophobicContact CB-CB 4.04Å; P208-F213 HydrophobicContact CB-CD2 3.94Å; P208-F213 HydrophobicContact CB-CG 4.14Å; P208-F213 WeakPolarHBondContact O-CB 3.33Å; P208-F213 PolarHBondContact O-N 3Å; Y211-F213 AromaticContact CD2-CD2 3.58Å; Y211-F213 HydrophobicContact CD2-CD2 3.58Å; Y211-F213 AromaticContact CD2-CE2 3.6Å; Y211-F213 HydrophobicContact CD2-CE2 3.6Å; Y211-F213 AromaticContact CE2-CD2 3.41Å; Y211-F213 HydrophobicContact CE2-CD2 3.41Å; Y211-F213 VanDerWaalsContact CE2-CD2 3.41Å; Y211-F213 AromaticContact CE2-CE2 3.31Å; Y211-F213 HydrophobicContact CE2-CE2 3.31Å
214D98.9Very high98.6Very high12 Ų1222 Ų226%0.06413%0.126CC..SBendtrans-93.1-35.7-179-62.7-60.1000112.4H186 Q191 V192 V240 K241 H243 L244H186-D214 IonicContact CD2-OD2 3.83Å; H186-D214 IonicContact CE1-OD1 3.65Å; H186-D214 IonicContact CE1-OD2 2.64Å; H186-D214 IonicContact NE2-OD1 3.84Å; H186-D214 PolarHBondContact NE2-OD1 3.49Å; H186-D214 IonicContact NE2-OD2 3.62Å; H186-D214 PolarHBondContact NE2-OD2 3.48Å; Q191-D214 VanDerWaalsContact CA-OD2 3.32Å; Q191-D214 WeakPolarHBondContact CA-OD2 3.37Å; V192-D214 PolarHBondContact N-OD2 2.88Å; V192-D214 PolarHBondContact O-N 2.9Å; D214-V240 CarbonylContact O-C 3.41Å; D214-V240 WeakPolarHBondContact O-CA 3.4Å; D214-K241 PolarHBondContact O-N 3.16Å; D214-H243 IonicContact OD1-CE1 3.64Å; D214-H243 PolarHBondContact OD1-CE1 3.17Å; D214-H243 VanDerWaalsContact OD1-CE1 3.28Å; D214-H243 IonicContact OD1-NE2 3.3Å; D214-L244 HydrophobicContact CB-CD1 3.99Å
215V98.9Very high98.6Very high0 Ų020.2 Ų20.20%011%0.108CC..EExtended strand (participates in β ladder)trans-147.8143.5-17849.70000109.9V97 V192 Y193 L194 G239 V240 L244V97-V215 HydrophobicContact CG2-CG1 3.99Å; V192-V215 PolarHBondContact O-N 2.91Å; Y193-V215 CarbonylContact C-O 3.52Å; Y193-V215 WeakPolarHBondContact CA-O 3.43Å; Y193-V215 HydrophobicContact CD2-CG1 3.73Å; Y193-V215 HydrophobicContact CD2-CG2 4.18Å; Y193-V215 HydrophobicContact CE2-CG2 4.28Å; Y193-V215 HydrophobicContact CG-CG1 4.43Å; L194-V215 PolarHBondContact N-O 3.31Å; V215-G239 CarbonylContact C-O 3.17Å; V215-G239 VanDerWaalsContact CA-O 3.29Å; V215-G239 WeakPolarHBondContact CA-O 3.32Å; V215-V240 HydrophobicContact CB-CG1 4.03Å; V215-V240 HydrophobicContact CG2-CG1 3.74Å; V215-L244 HydrophobicContact CB-CD1 3.92Å; V215-L244 HydrophobicContact CG1-CD1 4.06Å
216A98.8Very high98.6Very high1 Ų116.7 Ų16.71%0.0089%0.089CC..EExtended strand (participates in β ladder)trans-139.6150.1169.800000111F76 L194 I238 G239F76-A216 HydrophobicContact CD2-CB 4.37Å; F76-A216 HydrophobicContact CE2-CB 3.33Å; F76-A216 HydrophobicContact CZ-CB 3.63Å; L194-A216 HydrophobicContact CB-CB 3.66Å; L194-A216 HydrophobicContact CD2-CB 3.92Å; L194-A216 HydrophobicContact CG-CB 4.24Å; L194-A216 VanDerWaalsContact O-CA 3.24Å; L194-A216 WeakPolarHBondContact O-CA 3.17Å; A216-I238 CarbonylContact O-C 3.54Å; A216-I238 WeakPolarHBondContact O-CA 3.45Å; A216-G239 PolarHBondContact N-O 3.31Å; A216-G239 PolarHBondContact O-N 2.69Å
217H98.9Very high98.6Very high2 Ų216.5 Ų16.51%0.0099%0.087CC..EExtended strand (participates in β ladder)trans-93.5157.3155.686.5-76.6000111G86 E90 Y193 L194 D195 G196 N219 P237 I238G86-H217 WeakPolarHBondContact CA-CD2 3.4Å; G86-H217 WeakPolarHBondContact CA-NE2 3.22Å; G86-H217 PolarHBondContact O-CD2 3.02Å; E90-H217 IonicContact OE1-CE1 3.5Å; Y193-H217 AromaticContact CZ-ND1 3.79Å; Y193-H217 WeakPolarHBondContact OH-CB 3.31Å; Y193-H217 VanDerWaalsContact OH-CG 3.28Å; Y193-H217 PolarHBondContact OH-ND1 3.32Å; L194-H217 PolarHBondContact O-N 3.18Å; D195-H217 IonicContact OD1-CE1 3.8Å; D195-H217 PolarHBondContact OD1-CE1 2.84Å; D195-H217 IonicContact OD1-ND1 3.37Å; D195-H217 IonicContact OD1-NE2 2.96Å; G196-H217 WeakPolarHBondContact CA-O 3.47Å; G196-H217 PolarHBondContact N-O 3.49Å; G196-H217 VanDerWaalsContact N-O 3.16Å; H217-N219 PolarHBondContact CD2-OD1 2.9Å; H217-N219 PolarHBondContact NE2-OD1 3.45Å; H217-P237 WeakPolarHBondContact CA-O 3.38Å; H217-I238 HydrophobicContact CB-CG2 3.98Å
218L98.9Very high98.6Very high0 Ų014.6 Ų14.60%08%0.082CC..  trans-119.7135.5169.8-58.6179.8000110.4L70 T74 F79 M199 L220 F224 G236 P237L70-L218 HydrophobicContact CD1-CD1 4.4Å; L70-L218 HydrophobicContact CD2-CD1 3.75Å; L70-L218 HydrophobicContact CG-CD1 4.44Å; T74-L218 HydrophobicContact CG2-CD1 4.1Å; T74-L218 HydrophobicContact CG2-CD2 4.2Å; F79-L218 HydrophobicContact CE1-CD1 3.53Å; F79-L218 HydrophobicContact CE1-CG 3.98Å; F79-L218 HydrophobicContact CZ-CD1 3.75Å; F79-L218 HydrophobicContact CZ-CG 4.39Å; M199-L218 HydrophobicContact CB-CD2 4.36Å; M199-L218 HydrophobicContact CG-CD2 3.61Å; L218-L220 HydrophobicContact CB-CD2 4.37Å; L218-L220 PolarHBondContact O-N 3.35Å; L218-F224 HydrophobicContact CB-CE2 4.39Å; L218-F224 HydrophobicContact CD1-CE2 4.02Å; L218-F224 HydrophobicContact CD1-CZ 4.43Å; L218-G236 VanDerWaalsContact O-CA 3.29Å; L218-G236 WeakPolarHBondContact O-CA 3.37Å; L218-P237 HydrophobicContact CB-CG 4.39Å; L218-P237 PolarHBondContact N-O 3.39Å; L218-P237 WeakPolarHBondContact O-CD 3.41Å
219N98.8Very high98.6Very high7 Ų717.5 Ų17.54%0.03711%0.111CC..  trans-85.196.6168.1-64.769.4000109.9A197 H217 H221 K222 T223A197-N219 WeakPolarHBondContact CA-OD1 3.29Å; A197-N219 WeakPolarHBondContact CB-OD1 3.21Å; H217-N219 PolarHBondContact CD2-OD1 2.9Å; H217-N219 PolarHBondContact NE2-OD1 3.45Å; N219-H221 PolarHBondContact ND2-CE1 3.25Å; N219-H221 PolarHBondContact ND2-NE2 2.92Å; N219-H221 PolarHBondContact O-N 2.8Å; N219-K222 HydrophobicContact CB-CB 3.73Å; N219-K222 HydrophobicContact CB-CD 3.64Å; N219-K222 HydrophobicContact CB-CG 3.55Å; N219-K222 WeakPolarHBondContact ND2-CE 3.13Å; N219-K222 PolarHBondContact O-N 2.8Å; N219-T223 PolarHBondContact O-N 3.17Å
220L98.8Very high98.5Very high1 Ų121.4 Ų21.41%0.00515%0.152CC..THydrogen-bonded Turntrans-64.3-22.5176.5-60-174.4000112.8L218 K222 F224 C225 I226 M235 P237 L278 P281L218-L220 HydrophobicContact CB-CD2 4.37Å; L218-L220 PolarHBondContact O-N 3.35Å; L220-K222 VanDerWaalsContact C-N 3.29Å; L220-F224 HydrophobicContact CB-CB 4.42Å; L220-F224 HydrophobicContact CD2-CB 3.96Å; L220-F224 HydrophobicContact CD2-CD2 3.44Å; L220-F224 VanDerWaalsContact CD2-CD2 3.44Å; L220-F224 HydrophobicContact CD2-CE2 4.16Å; L220-F224 HydrophobicContact CD2-CG 3.88Å; L220-F224 CarbonylContact O-C 3.51Å; L220-F224 WeakPolarHBondContact O-CA 3.26Å; L220-F224 PolarHBondContact O-N 3.24Å; L220-C225 PolarHBondContact O-N 3.49Å; L220-I226 HydrophobicContact CB-CD1 3.65Å; L220-I226 HydrophobicContact CB-CG1 4.27Å; L220-I226 HydrophobicContact CD1-CD1 4.44Å; L220-I226 PolarHBondContact O-N 2.99Å; L220-M235 HydrophobicContact CB-CB 4.14Å; L220-M235 HydrophobicContact CD1-CB 3.77Å; L220-M235 HydrophobicContact CG-CB 4.21Å; L220-M235 PolarHBondContact N-O 3.07Å; L220-M235 VanDerWaalsContact N-O 3.1Å; L220-P237 HydrophobicContact CD1-CG 3.73Å; L220-P237 HydrophobicContact CD2-CG 4.04Å; L220-P237 HydrophobicContact CG-CG 3.79Å; L220-L278 HydrophobicContact CD1-CD2 3.55Å; L220-P281 HydrophobicContact CD1-CG 4.15Å
221H98.7Very high98.5Very high32 Ų3220.7 Ų20.715%0.14817%0.168CC..THydrogen-bonded Turntrans-85.13.5174.258.9-76.2000114.5N219 I226 H228 G234 M235N219-H221 PolarHBondContact ND2-CE1 3.25Å; N219-H221 PolarHBondContact ND2-NE2 2.92Å; N219-H221 PolarHBondContact O-N 2.8Å; H221-I226 CarbonylContact C-O 3.49Å; H221-I226 VanDerWaalsContact CA-O 3.24Å; H221-I226 WeakPolarHBondContact CA-O 3.3Å; H221-I226 HydrophobicContact CB-CB 3.88Å; H221-I226 HydrophobicContact CB-CG2 3.8Å; H221-H228 PolarHBondContact O-CE1 2.78Å; H221-H228 VanDerWaalsContact O-CE1 3.28Å; H221-H228 PolarHBondContact O-NE2 3.09Å; H221-H228 VanDerWaalsContact O-NE2 3.16Å; H221-G234 WeakPolarHBondContact ND1-CA 3.47Å; H221-M235 PolarHBondContact ND1-O 3.12Å
222K98.8Very high98.4Very high23 Ų2321 Ų2110%0.118%0.179CC..THydrogen-bonded Turntrans-115.3-77.1169-59.5-176-175.2179.30108.2S25 C26 A197 N219 L220 F224S25-K222 WeakPolarHBondContact O-CD 3.4Å; S25-K222 WeakPolarHBondContact O-CE 3.46Å; S25-K222 PolarHBondContact O-NZ 3.25Å; C26-K222 VanDerWaalsContact O-CG 3.32Å; C26-K222 WeakPolarHBondContact O-CG 3.48Å; A197-K222 HydrophobicContact CB-CD 4.28Å; N219-K222 HydrophobicContact CB-CB 3.73Å; N219-K222 HydrophobicContact CB-CD 3.64Å; N219-K222 HydrophobicContact CB-CG 3.55Å; N219-K222 WeakPolarHBondContact ND2-CE 3.13Å; N219-K222 PolarHBondContact O-N 2.8Å; L220-K222 VanDerWaalsContact C-N 3.29Å; K222-F224 PolarHBondContact O-N 2.84Å
223T98.8Very high98.4Very high1 Ų122.9 Ų22.91%0.00619%0.188CC..THydrogen-bonded Turntrans-68.8-30.1-171.5-46.10000113.6K29 M199 N200 V203 N219K29-T223 VanDerWaalsContact CE-O 3.31Å; K29-T223 WeakPolarHBondContact CE-O 3.04Å; K29-T223 PolarHBondContact NZ-O 3.29Å; M199-T223 HydrophobicContact CB-CG2 4.07Å; N200-T223 HydrophobicContact CB-CG2 4.16Å; V203-T223 HydrophobicContact CG2-CG2 4.2Å; N219-T223 PolarHBondContact O-N 3.17Å
224F98.8Very high98.3Very high0 Ų023.4 Ų23.40%019%0.194CC..THydrogen-bonded Turntrans-119.834.1-169.7-55.1-87.1000114L70 M73 V203 L218 L220 K222 I226 P281 Y284 I285L70-F224 HydrophobicContact CD2-CE1 4.13Å; L70-F224 HydrophobicContact CD2-CE2 4.3Å; L70-F224 HydrophobicContact CD2-CZ 3.94Å; M73-F224 HydrophobicContact CE-CE1 3.9Å; M73-F224 HydrophobicContact CE-CZ 4.44Å; M73-F224 HydrophobicContact SD-CE1 3.98Å; M73-F224 HydrophobicContact SD-CZ 4.48Å; V203-F224 HydrophobicContact CG2-CE1 4.46Å; V203-F224 HydrophobicContact CG2-CZ 4.1Å; L218-F224 HydrophobicContact CB-CE2 4.39Å; L218-F224 HydrophobicContact CD1-CE2 4.02Å; L218-F224 HydrophobicContact CD1-CZ 4.43Å; L220-F224 HydrophobicContact CB-CB 4.42Å; L220-F224 HydrophobicContact CD2-CB 3.96Å; L220-F224 HydrophobicContact CD2-CD2 3.44Å; L220-F224 VanDerWaalsContact CD2-CD2 3.44Å; L220-F224 HydrophobicContact CD2-CE2 4.16Å; L220-F224 HydrophobicContact CD2-CG 3.88Å; L220-F224 CarbonylContact O-C 3.51Å; L220-F224 WeakPolarHBondContact O-CA 3.26Å; L220-F224 PolarHBondContact O-N 3.24Å; K222-F224 PolarHBondContact O-N 2.84Å; F224-I226 VanDerWaalsContact C-N 3.3Å; F224-I226 PolarHBondContact O-N 3.33Å; F224-I226 VanDerWaalsContact O-N 3.1Å; F224-P281 HydrophobicContact CB-CB 3.71Å; F224-P281 WeakPolarHBondContact O-CA 3.3Å; F224-Y284 HydrophobicContact CB-CD1 4.35Å; F224-Y284 AromaticContact CD1-CD1 3.99Å; F224-Y284 HydrophobicContact CD1-CD1 3.99Å; F224-Y284 AromaticContact CD1-CE1 3.96Å; F224-Y284 HydrophobicContact CD1-CE1 3.96Å; F224-I285 HydrophobicContact CD1-CD1 4.15Å; F224-I285 HydrophobicContact CD1-CG1 4.18Å; F224-I285 HydrophobicContact CE1-CD1 4.38Å; F224-I285 HydrophobicContact CE1-CG1 4.47Å
225C98.7Very high98.3Very high3 Ų322.9 Ų22.92%0.0219%0.191CC..  trans67.63.9162.3-50.30000118.2K29 N31 Q35 L220 V280 Y284K29-C225 WeakPolarHBondContact CD-SG 3.31Å; N31-C225 PolarHBondContact ND2-O 3.2Å; Q35-C225 VanDerWaalsContact OE1-CB 3.32Å; L220-C225 PolarHBondContact O-N 3.49Å; C225-V280 HydrophobicContact CB-CG1 4.21Å; C225-V280 VanDerWaalsContact O-CG1 3.29Å; C225-V280 WeakPolarHBondContact O-CG1 3.33Å; C225-Y284 WeakPolarHBondContact SG-CD2 3.44Å
226I98.8Very high98.3Very high0 Ų022.9 Ų22.90%019%0.191CC..  trans-57.2130.9167.1-68.1177.7000107.9L220 H221 F224 M235 I277 V280 P281L220-I226 HydrophobicContact CB-CD1 3.65Å; L220-I226 HydrophobicContact CB-CG1 4.27Å; L220-I226 HydrophobicContact CD1-CD1 4.44Å; L220-I226 PolarHBondContact O-N 2.99Å; H221-I226 CarbonylContact C-O 3.49Å; H221-I226 VanDerWaalsContact CA-O 3.24Å; H221-I226 WeakPolarHBondContact CA-O 3.3Å; H221-I226 HydrophobicContact CB-CB 3.88Å; H221-I226 HydrophobicContact CB-CG2 3.8Å; F224-I226 VanDerWaalsContact C-N 3.3Å; F224-I226 PolarHBondContact O-N 3.33Å; F224-I226 VanDerWaalsContact O-N 3.1Å; I226-M235 HydrophobicContact CD1-CB 4.08Å; I226-M235 HydrophobicContact CD1-CG 4.12Å; I226-I277 HydrophobicContact CD1-CB 4.4Å; I226-I277 HydrophobicContact CD1-CD1 4.03Å; I226-I277 HydrophobicContact CD1-CG1 4.09Å; I226-I277 HydrophobicContact CG2-CD1 4.03Å; I226-V280 HydrophobicContact CG1-CB 4.02Å; I226-V280 HydrophobicContact CG1-CG1 4.22Å; I226-P281 HydrophobicContact CD1-CG 4.5Å
227P98.5Very high98.3Very high36 Ų3622.8 Ų22.823%0.23419%0.19CC..  trans-67.3140.8-175.127.7-35.4000111.4N31 L36 G229N31-P227 HydrophobicContact CB-CB 4.27Å; N31-P227 WeakPolarHBondContact ND2-CA 3.48Å; L36-P227 HydrophobicContact CD2-CB 4.47Å; L36-P227 HydrophobicContact CD2-CG 3.79Å; P227-G229 PolarHBondContact O-N 3.12Å
228H98.7Very high98.3Very high34 Ų3422.7 Ų22.716%0.15719%0.19CC..  trans-64.5-25178.9-59.471.8000113.6C26 T27 M28 H221 G230 G231 G232C26-H228 PolarHBondContact O-NE2 3.3Å; T27-H228 PolarHBondContact O-CE1 3.36Å; M28-H228 HydrophobicContact CE-CB 4.19Å; M28-H228 PolarHBondContact SD-CD2 3.15Å; M28-H228 VanDerWaalsContact SD-CE1 3.53Å; M28-H228 PolarHBondContact SD-NE2 2.68Å; H221-H228 PolarHBondContact O-CE1 2.78Å; H221-H228 VanDerWaalsContact O-CE1 3.28Å; H221-H228 PolarHBondContact O-NE2 3.09Å; H221-H228 VanDerWaalsContact O-NE2 3.16Å; H228-G230 PolarHBondContact O-N 2.96Å; H228-G231 PolarHBondContact O-N 3.1Å; H228-G232 PolarHBondContact O-N 3.48Å
229G97.9Very high98.3Very high61 Ų6122.7 Ų22.763%0.62919%0.19SC*.THydrogen-bonded Turntrans58.220.7170.300000116.4P227 G231 G232P227-G229 PolarHBondContact O-N 3.12Å; G229-G231 VanDerWaalsContact C-N 3.33Å; G229-G232 CarbonylContact C-O 3.34Å; G229-G232 VanDerWaalsContact CA-O 3.27Å; G229-G232 WeakPolarHBondContact CA-O 3.48Å
230G97.5Very high98.3Very high90 Ų9022.4 Ų22.493%0.92819%0.188SC*.THydrogen-bonded Turntrans77.115.3-175.600000114.4H228H228-G230 PolarHBondContact O-N 2.96Å
231G96.8Very high98.3Very high83 Ų8324.6 Ų24.686%0.85620%0.197SC*.THydrogen-bonded Turntrans13316.2-178.900000114.9H228 G229H228-G231 PolarHBondContact O-N 3.1Å; G229-G231 VanDerWaalsContact C-N 3.33Å
232G96Very high98.2Very high35 Ų3528 Ų2836%0.36122%0.217SC..  trans149.6156.8-177.200000110.6H228 G229H228-G232 PolarHBondContact O-N 3.48Å; G229-G232 CarbonylContact C-O 3.34Å; G229-G232 VanDerWaalsContact CA-O 3.27Å; G229-G232 WeakPolarHBondContact CA-O 3.48Å
233P98Very high98.2Very high60 Ų6030 Ų3039%0.3923%0.226SC..  cis-85.816714.535.2-37000113.7I277P233-I277 HydrophobicContact CB-CD1 3.86Å; P233-I277 HydrophobicContact CG-CD1 3.84Å
234G97.3Very high98.2Very high11 Ų1129.9 Ų29.911%0.11323%0.226CC..  trans-129.9170169.500000111.7N84 H221N84-G234 CarbonylContact O-C 3.38Å; N84-G234 VanDerWaalsContact O-C 3.31Å; H221-G234 WeakPolarHBondContact ND1-CA 3.47Å
235M98.6Very high98.1Very high0 Ų031.8 Ų31.80%024%0.235CC..  trans-136.8136.9160.8-76.7-65.1-75.900107.7F81 N84 L220 H221 I226 P237 W272 S274 I277 L278F81-M235 HydrophobicContact CB-CE 4.35Å; F81-M235 WeakPolarHBondContact O-CE 3.15Å; N84-M235 HydrophobicContact CB-SD 4.27Å; L220-M235 HydrophobicContact CB-CB 4.14Å; L220-M235 HydrophobicContact CD1-CB 3.77Å; L220-M235 HydrophobicContact CG-CB 4.21Å; L220-M235 PolarHBondContact N-O 3.07Å; L220-M235 VanDerWaalsContact N-O 3.1Å; H221-M235 PolarHBondContact ND1-O 3.12Å; I226-M235 HydrophobicContact CD1-CB 4.08Å; I226-M235 HydrophobicContact CD1-CG 4.12Å; M235-P237 VanDerWaalsContact C-CD 3.45Å; M235-W272 WeakPolarHBondContact CE-O 3.43Å; M235-S274 PolarHBondContact SD-N 2.62Å; M235-I277 HydrophobicContact CG-CD1 3.94Å; M235-I277 HydrophobicContact CG-CG1 4.09Å; M235-L278 HydrophobicContact CB-CD2 4.29Å; M235-L278 HydrophobicContact CE-CD1 4.11Å; M235-L278 HydrophobicContact CE-CD2 4.01Å; M235-L278 HydrophobicContact CE-CG 4.26Å; M235-L278 HydrophobicContact CG-CD2 3.95Å
236G98.6Very high97.9Very high0 Ų034.3 Ų34.30%025%0.252CS..  trans-125.952.7-176.400000112.8P83 S85 G89 L218P83-G236 WeakPolarHBondContact CB-O 3.36Å; P83-G236 CarbonylContact O-C 3.54Å; P83-G236 PolarHBondContact O-N 2.86Å; S85-G236 WeakPolarHBondContact O-CA 3.43Å; G89-G236 WeakPolarHBondContact CA-O 3.37Å; L218-G236 VanDerWaalsContact O-CA 3.29Å; L218-G236 WeakPolarHBondContact O-CA 3.37Å
237P98.6Very high97.9Very high0 Ų035.1 Ų35.10%026%0.255CS..PPolyproline II helixtrans-59.1145.3-176.232.3-40.1000110.6F79 S80 F81 H217 L218 L220 M235F79-P237 HydrophobicContact CD1-CB 4.09Å; S80-P237 CarbonylContact O-C 3.43Å; S80-P237 WeakPolarHBondContact O-CA 3.5Å; S80-P237 VanDerWaalsContact O-CB 3.26Å; S80-P237 WeakPolarHBondContact O-CB 3.43Å; F81-P237 HydrophobicContact CD1-CB 3.64Å; F81-P237 HydrophobicContact CD1-CG 4.22Å; F81-P237 HydrophobicContact CE1-CB 3.99Å; F81-P237 HydrophobicContact CE1-CG 4.31Å; F81-P237 HydrophobicContact CG-CB 4.34Å; H217-P237 WeakPolarHBondContact CA-O 3.38Å; L218-P237 HydrophobicContact CB-CG 4.39Å; L218-P237 PolarHBondContact N-O 3.39Å; L218-P237 WeakPolarHBondContact O-CD 3.41Å; L220-P237 HydrophobicContact CD1-CG 3.73Å; L220-P237 HydrophobicContact CD2-CG 4.04Å; L220-P237 HydrophobicContact CG-CG 3.79Å; M235-P237 VanDerWaalsContact C-CD 3.45Å
238I98.8Very high97.8Very high0 Ų034.4 Ų34.40%025%0.25CC..EExtended strand (participates in β ladder)trans-103.9130.1177.858.5161.2000110.8F79 S80 P83 G89 T92 A216 H217 V240 L248F79-I238 CarbonylContact C-O 3.51Å; F79-I238 WeakPolarHBondContact CA-O 3.47Å; F79-I238 VanDerWaalsContact CD1-C 3.41Å; F79-I238 WeakPolarHBondContact CD1-O 3.42Å; S80-I238 PolarHBondContact N-O 3.2Å; S80-I238 PolarHBondContact O-N 2.98Å; P83-I238 HydrophobicContact CG-CG1 4.48Å; P83-I238 HydrophobicContact CG-CG2 4.34Å; G89-I238 WeakPolarHBondContact O-CG2 3.11Å; T92-I238 HydrophobicContact CG2-CD1 3.51Å; T92-I238 HydrophobicContact CG2-CG1 4.26Å; A216-I238 CarbonylContact O-C 3.54Å; A216-I238 WeakPolarHBondContact O-CA 3.45Å; H217-I238 HydrophobicContact CB-CG2 3.98Å; I238-V240 HydrophobicContact CD1-CG1 4.23Å; I238-L248 HydrophobicContact CD1-CD2 3.63Å; I238-L248 HydrophobicContact CG1-CD2 4.09Å
239G98.7Very high97.6Very high0 Ų033.2 Ų33.20%025%0.245CC..EExtended strand (participates in β ladder)trans-98.2136.5168.400000109.4Q78 F79 V215 A216Q78-G239 WeakPolarHBondContact O-CA 3.45Å; F79-G239 VanDerWaalsContact CE1-CA 3.45Å; F79-G239 VanDerWaalsContact CE1-N 3.28Å; V215-G239 CarbonylContact C-O 3.17Å; V215-G239 VanDerWaalsContact CA-O 3.29Å; V215-G239 WeakPolarHBondContact CA-O 3.32Å; A216-G239 PolarHBondContact N-O 3.31Å; A216-G239 PolarHBondContact O-N 2.69Å
240V98.8Very high97.5Very high0 Ų030.8 Ų30.80%022%0.218CC..EExtended strand (participates in β ladder)trans-132153.7-178.1-59.10000112.4N77 Q78 D214 V215 I238 L244 I245 L248N77-V240 PolarHBondContact N-O 3.43Å; Q78-V240 HydrophobicContact CB-CG2 4.48Å; Q78-V240 PolarHBondContact N-O 2.73Å; Q78-V240 PolarHBondContact O-N 2.81Å; D214-V240 CarbonylContact O-C 3.41Å; D214-V240 WeakPolarHBondContact O-CA 3.4Å; V215-V240 HydrophobicContact CB-CG1 4.03Å; V215-V240 HydrophobicContact CG2-CG1 3.74Å; I238-V240 HydrophobicContact CD1-CG1 4.23Å; V240-L244 HydrophobicContact CB-CB 3.83Å; V240-L244 HydrophobicContact CG1-CB 4.24Å; V240-L244 HydrophobicContact CG2-CB 4.22Å; V240-I245 HydrophobicContact CG2-CG1 3.89Å; V240-L248 HydrophobicContact CB-CD2 4.46Å; V240-L248 HydrophobicContact CG1-CD2 3.75Å; V240-L248 HydrophobicContact CG2-CD1 4.01Å; V240-L248 HydrophobicContact CG2-CD2 3.81Å; V240-L248 HydrophobicContact CG2-CG 4.02Å
241K98.7Very high97.2Very high47 Ų4727.1 Ų27.120%0.20418%0.177CC..  trans-71160.5166.1-72.6-61.4-167.5179.10111.9G75 F76 N77 G209 D214 H243 L244 I245G75-K241 PolarHBondContact O-NZ 3.5Å; F76-K241 HydrophobicContact CD1-CD 4.27Å; F76-K241 HydrophobicContact CD1-CG 4.2Å; F76-K241 HydrophobicContact CE1-CG 4.43Å; N77-K241 WeakPolarHBondContact OD1-CA 3.39Å; N77-K241 WeakPolarHBondContact OD1-CD 3.37Å; G209-K241 WeakPolarHBondContact O-CE 3.07Å; G209-K241 PolarHBondContact O-NZ 3.49Å; D214-K241 PolarHBondContact O-N 3.16Å; K241-H243 VanDerWaalsContact C-N 3.26Å; K241-H243 PolarHBondContact O-N 3.26Å; K241-H243 VanDerWaalsContact O-N 3.13Å; K241-L244 PolarHBondContact O-N 3.03Å; K241-I245 PolarHBondContact O-N 3.05Å
242D98Very high96.8Very high103 Ų10328.3 Ų28.355%0.55117%0.17SC*.G310 helixtrans-48.6-43.1-174-72.4-38.4000114N77 L244 I245N77-D242 WeakPolarHBondContact CB-OD1 3.4Å; N77-D242 VanDerWaalsContact ND2-CG 3.25Å; N77-D242 PolarHBondContact ND2-OD1 3.47Å; N77-D242 PolarHBondContact ND2-OD2 3.32Å; N77-D242 VanDerWaalsContact ND2-OD2 3.07Å; N77-D242 PolarHBondContact OD1-N 2.95Å; D242-L244 PolarHBondContact O-N 3.03Å; D242-I245 WeakPolarHBondContact O-CB 3.4Å; D242-I245 WeakPolarHBondContact O-CG1 3.37Å; D242-I245 PolarHBondContact O-N 3.26Å
243H97.7Very high96.3Very high65 Ų6532 Ų3230%0.30118%0.181SC..G310 helixtrans-69-17.6-177.163.5-78.1000114Y100 Q191 D214 K241 F247Y100-H243 HydrophobicContact CE2-CB 4.43Å; Y100-H243 AromaticContact CE2-CD2 3.95Å; Y100-H243 AromaticContact CZ-CD2 3.86Å; Q191-H243 PolarHBondContact OE1-CD2 2.73Å; Q191-H243 PolarHBondContact OE1-NE2 3.13Å; D214-H243 IonicContact OD1-CE1 3.64Å; D214-H243 PolarHBondContact OD1-CE1 3.17Å; D214-H243 VanDerWaalsContact OD1-CE1 3.28Å; D214-H243 IonicContact OD1-NE2 3.3Å; K241-H243 VanDerWaalsContact C-N 3.26Å; K241-H243 PolarHBondContact O-N 3.26Å; K241-H243 VanDerWaalsContact O-N 3.13Å; H243-F247 WeakPolarHBondContact O-CE2 3.37Å
244L98.1Very high95Very high0 Ų030.9 Ų30.90%018%0.18CC..G310 helixtrans-96.3-12177.9-68.7-176.1000113.4V97 Y100 D214 V215 V240 K241 D242 P246 F247V97-L244 HydrophobicContact CG2-CD1 4.34Å; Y100-L244 HydrophobicContact CD1-CD2 3.98Å; Y100-L244 HydrophobicContact CD2-CD2 4.27Å; Y100-L244 HydrophobicContact CG-CD2 3.66Å; D214-L244 HydrophobicContact CB-CD1 3.99Å; V215-L244 HydrophobicContact CB-CD1 3.92Å; V215-L244 HydrophobicContact CG1-CD1 4.06Å; V240-L244 HydrophobicContact CB-CB 3.83Å; V240-L244 HydrophobicContact CG1-CB 4.24Å; V240-L244 HydrophobicContact CG2-CB 4.22Å; K241-L244 PolarHBondContact O-N 3.03Å; D242-L244 PolarHBondContact O-N 3.03Å; L244-P246 VanDerWaalsContact C-CD 3.45Å; L244-F247 PolarHBondContact O-N 3.27Å
245I97.2Very high93.7Very high39 Ų3931.6 Ų31.620%0.219%0.187CC..G310 helixtrans-53-45.5-179.5-62.7179.4000113N77 Q78 V240 K241 D242 F247 L248N77-I245 HydrophobicContact CB-CD1 4Å; Q78-I245 HydrophobicContact CB-CD1 3.74Å; Q78-I245 HydrophobicContact CB-CG1 3.8Å; Q78-I245 HydrophobicContact CB-CG2 4.48Å; Q78-I245 HydrophobicContact CG-CG2 4.48Å; V240-I245 HydrophobicContact CG2-CG1 3.89Å; K241-I245 PolarHBondContact O-N 3.05Å; D242-I245 WeakPolarHBondContact O-CB 3.4Å; D242-I245 WeakPolarHBondContact O-CG1 3.37Å; D242-I245 PolarHBondContact O-N 3.26Å; I245-F247 PolarHBondContact O-N 2.93Å; I245-L248 HydrophobicContact CG2-CD1 4.41Å; I245-L248 WeakPolarHBondContact O-CB 3.27Å; I245-L248 WeakPolarHBondContact O-CG 3.39Å; I245-L248 PolarHBondContact O-N 2.82Å
246P95.7Very high92Very high57 Ų5735.2 Ų35.237%0.3721%0.207SC..G310 helixtrans-61.6-17.5-178.3-24.335.9000114.3L244 T262L244-P246 VanDerWaalsContact C-CD 3.45Å; P246-T262 CarbonylContact O-C 3.42Å; P246-T262 WeakPolarHBondContact O-CB 3.45Å; P246-T262 PolarHBondContact O-OG1 3.09Å
247F97.4Very high90.2Very high16 Ų1637.1 Ų37.17%0.0722%0.223CC..G310 helixtrans-102.50.2-174.7-50.7-75.5000113.1C96 A99 Y100 S103 H243 L244 I245 T262 C264C96-F247 HydrophobicContact CB-CB 4.35Å; C96-F247 PolarHBondContact SG-O 3.36Å; C96-F247 VanDerWaalsContact SG-O 3.36Å; A99-F247 HydrophobicContact CB-CB 4.02Å; A99-F247 HydrophobicContact CB-CD1 3.68Å; A99-F247 HydrophobicContact CB-CG 4.13Å; Y100-F247 HydrophobicContact CD2-CD2 4.37Å; Y100-F247 AromaticContact CD2-CE2 3.68Å; Y100-F247 HydrophobicContact CD2-CE2 3.68Å; Y100-F247 HydrophobicContact CD2-CZ 4.23Å; Y100-F247 HydrophobicContact CG-CE2 4.23Å; S103-F247 WeakPolarHBondContact OG-CZ 3.44Å; H243-F247 WeakPolarHBondContact O-CE2 3.37Å; L244-F247 PolarHBondContact O-N 3.27Å; I245-F247 PolarHBondContact O-N 2.93Å; F247-T262 WeakPolarHBondContact CD1-O 3.42Å; F247-C264 WeakPolarHBondContact O-CB 3.22Å; F247-C264 PolarHBondContact O-N 3.49Å; F247-C264 PolarHBondContact O-SG 3.03Å
248L97.1Very high88.3Confident22 Ų2245.6 Ų45.612%0.11526%0.264CS..SBendtrans-54.4152.5174.9-74.3176.2000111.7Q78 I238 V240 I245 S263Q78-L248 HydrophobicContact CB-CD1 4.21Å; Q78-L248 HydrophobicContact CG-CD1 3.66Å; I238-L248 HydrophobicContact CD1-CD2 3.63Å; I238-L248 HydrophobicContact CG1-CD2 4.09Å; V240-L248 HydrophobicContact CB-CD2 4.46Å; V240-L248 HydrophobicContact CG1-CD2 3.75Å; V240-L248 HydrophobicContact CG2-CD1 4.01Å; V240-L248 HydrophobicContact CG2-CD2 3.81Å; V240-L248 HydrophobicContact CG2-CG 4.02Å; I245-L248 HydrophobicContact CG2-CD1 4.41Å; I245-L248 WeakPolarHBondContact O-CB 3.27Å; I245-L248 WeakPolarHBondContact O-CG 3.39Å; I245-L248 PolarHBondContact O-N 2.82Å; L248-S263 WeakPolarHBondContact O-CB 3.37Å; L248-S263 PolarHBondContact O-OG 3.21Å
249P95.6Very high86.8Confident9 Ų948.6 Ų48.66%0.05828%0.281CS..  trans-65.3146.9-178.330-38.2000111.1S80 Q82 T92 S263 G265 V267S80-P249 VanDerWaalsContact OG-CG 3.29Å; S80-P249 WeakPolarHBondContact OG-CG 3.41Å; Q82-P249 HydrophobicContact CB-CG 4.01Å; T92-P249 HydrophobicContact CG2-CB 4.22Å; T92-P249 HydrophobicContact CG2-CG 3.69Å; P249-S263 WeakPolarHBondContact CA-OG 3.43Å; P249-G265 CarbonylContact C-O 3.31Å; P249-G265 VanDerWaalsContact CA-O 3.3Å; P249-G265 WeakPolarHBondContact CA-O 3.47Å; P249-V267 HydrophobicContact CB-CG2 4.08Å; P249-V267 HydrophobicContact CG-CG2 4.31Å
250S93.9Very high85.7Confident10 Ų1053.1 Ų53.17%0.0731%0.308CS..  trans-122.6179.9177.463.40000110Q82 S263 G265 T266Q82-S250 PolarHBondContact NE2-O 2.92Å; S250-S263 WeakPolarHBondContact CB-OG 3.35Å; S250-S263 PolarHBondContact N-OG 2.97Å; S250-S263 WeakPolarHBondContact OG-CB 3.24Å; S250-S263 PolarHBondContact OG-OG 3.46Å; S250-G265 PolarHBondContact N-O 3.06Å; S250-T266 WeakPolarHBondContact O-CA 3.45Å; S250-T266 WeakPolarHBondContact O-CB 3.42Å; S250-T266 PolarHBondContact O-OG1 3.11Å
251H91.9Very high84.8Confident13 Ų1360.7 Ų60.76%0.0635%0.348CS..  trans-138.3136.6178.7-168.4-89.6000110.8Y50 L253 G254 A269 H271Y50-H251 AromaticContact CE1-CE1 3.66Å; H251-L253 VanDerWaalsContact C-N 3.28Å; H251-L253 PolarHBondContact ND1-N 3.29Å; H251-L253 PolarHBondContact O-N 2.65Å; H251-G254 PolarHBondContact O-N 3.46Å; H251-G254 VanDerWaalsContact O-N 3.14Å; H251-A269 PolarHBondContact NE2-O 2.98Å; H251-H271 AromaticContact CD2-CD2 3.9Å; H251-H271 AromaticContact CE1-CD2 3.62Å; H251-H271 AromaticContact CE1-NE2 3.67Å; H251-H271 AromaticContact CG-CD2 3.27Å; H251-H271 AromaticContact CG-NE2 3.79Å; H251-H271 AromaticContact ND1-CD2 3.06Å; H251-H271 PolarHBondContact ND1-CD2 2.95Å; H251-H271 AromaticContact ND1-NE2 3.09Å; H251-H271 PolarHBondContact ND1-NE2 3.39Å
252P88.4Confident84.3Confident108 Ų10861 Ų6170%0.70135%0.353SS*.THydrogen-bonded Turntrans-67-24.9-172.825.3-36.2000114.1G254 T266P252-G254 PolarHBondContact O-N 3.13Å; P252-T266 WeakPolarHBondContact CD-OG1 3.4Å
253L86.1Confident84.1Confident112 Ų11257 Ų5759%0.58633%0.334SS*.THydrogen-bonded Turntrans-86.311.2177.2-57.8-179.1000113.5Y50 H251Y50-L253 HydrophobicContact CD1-CD1 4.15Å; Y50-L253 HydrophobicContact CD2-CD1 3.74Å; Y50-L253 HydrophobicContact CE1-CD1 4.04Å; Y50-L253 HydrophobicContact CE2-CD1 3.62Å; Y50-L253 HydrophobicContact CG-CD1 4.02Å; H251-L253 VanDerWaalsContact C-N 3.28Å; H251-L253 PolarHBondContact ND1-N 3.29Å; H251-L253 PolarHBondContact O-N 2.65Å
254G71.1Confident83.9Confident36 Ų3655 Ų5537%0.37133%0.327SS..  trans91.7-166.3-178.400000113.6H251 P252 H271H251-G254 PolarHBondContact O-N 3.46Å; H251-G254 VanDerWaalsContact O-N 3.14Å; P252-G254 PolarHBondContact O-N 3.13Å; G254-H271 PolarHBondContact O-CD2 3.06Å; G254-H271 PolarHBondContact O-CE1 3.34Å; G254-H271 PolarHBondContact O-ND1 3.36Å; G254-H271 PolarHBondContact O-NE2 3.16Å
255G68.3Low83.8Confident27 Ų2756.4 Ų56.428%0.27834%0.341SS..  trans132.4-171.6-170.400000111.1A257G255-A257 PolarHBondContact O-N 2.81Å
256D63.6Low83.7Confident75 Ų7557.7 Ų57.740%0.40135%0.351SS..SBendtrans-79.614.5175.7-82.6-37.7000113.2R60 M258 W272R60-D256 IonicContact CZ-OD1 2.76Å; R60-D256 IonicContact NE-OD1 3.55Å; R60-D256 IonicContact NE-OD2 3.65Å; R60-D256 PolarHBondContact NE-OD2 2.79Å; R60-D256 IonicContact NH2-OD1 3.04Å; R60-D256 PolarHBondContact NH2-OD1 2.85Å; R60-D256 IonicContact NH2-OD2 2.7Å; D256-M258 PolarHBondContact O-N 2.91Å; D256-W272 HydrophobicContact CB-CZ2 4.39Å
257A60.5Low83.7Confident41 Ų4156 Ų5634%0.33934%0.34SS..  trans-65.9119.3-176.800000111.3G255 N259G255-A257 PolarHBondContact O-N 2.81Å; A257-N259 VanDerWaalsContact C-N 3.33Å; A257-N259 PolarHBondContact O-N 3.04Å
258M59Low83.7Confident177 Ų17755.6 Ų55.687%0.87234%0.339SS*.SBendtrans-65.1-28.7-171.7-72.5-149.897.400114.7D256D256-M258 PolarHBondContact O-N 2.91Å
259N67.2Low83.7Confident64 Ų6458.2 Ų58.234%0.34236%0.364SS..  trans-158.9108.9-178.1-167.5-11.1000112.5A257 L261 T262 S263A257-N259 VanDerWaalsContact C-N 3.33Å; A257-N259 PolarHBondContact O-N 3.04Å; N259-L261 VanDerWaalsContact C-N 3.31Å; N259-L261 PolarHBondContact O-N 3.24Å; N259-L261 WeakPolarHBondContact OD1-CB 3.24Å; N259-L261 PolarHBondContact OD1-N 2.95Å; N259-T262 PolarHBondContact ND2-OG1 3.47Å; N259-T262 VanDerWaalsContact ND2-OG1 3.16Å; N259-S263 WeakPolarHBondContact O-CB 3.26Å; N259-S263 PolarHBondContact O-N 3.25Å
260T75.2Confident83.5Confident95 Ų9559.5 Ų59.558%0.58337%0.372SS*.THydrogen-bonded Turntrans-74.1-19.6176.353.50000113.4
261L80Confident83.2Confident159 Ų15960 Ų6083%0.83237%0.373SS*.THydrogen-bonded Turntrans-77-33.2-175-68.1162.3000113N259N259-L261 VanDerWaalsContact C-N 3.31Å; N259-L261 PolarHBondContact O-N 3.24Å; N259-L261 WeakPolarHBondContact OD1-CB 3.24Å; N259-L261 PolarHBondContact OD1-N 2.95Å
262T89.2Confident83.2Confident52 Ų5261.2 Ų61.232%0.31938%0.378SS..THydrogen-bonded Turntrans-105-6-178.853.20000113.3P246 F247 N259P246-T262 CarbonylContact O-C 3.42Å; P246-T262 WeakPolarHBondContact O-CB 3.45Å; P246-T262 PolarHBondContact O-OG1 3.09Å; F247-T262 WeakPolarHBondContact CD1-O 3.42Å; N259-T262 PolarHBondContact ND2-OG1 3.47Å; N259-T262 VanDerWaalsContact ND2-OG1 3.16Å
263S92.8Very high83.6Confident20 Ų2056.5 Ų56.514%0.1435%0.349CS..SBendtrans-56.9149.7-178.7-179.10000112.6L248 P249 S250 N259 G265L248-S263 WeakPolarHBondContact O-CB 3.37Å; L248-S263 PolarHBondContact O-OG 3.21Å; P249-S263 WeakPolarHBondContact CA-OG 3.43Å; S250-S263 WeakPolarHBondContact CB-OG 3.35Å; S250-S263 PolarHBondContact N-OG 2.97Å; S250-S263 WeakPolarHBondContact OG-CB 3.24Å; S250-S263 PolarHBondContact OG-OG 3.46Å; N259-S263 WeakPolarHBondContact O-CB 3.26Å; N259-S263 PolarHBondContact O-N 3.25Å; S263-G265 PolarHBondContact O-N 3.41Å; S263-G265 PolarHBondContact OG-N 3.21Å; S263-G265 PolarHBondContact OG-O 3.44Å
264C95Very high84.1Confident24 Ų2453 Ų5316%0.16233%0.334CS..  trans-71.80.9170.373.80000114.3L95 A99 F247L95-C264 HydrophobicContact CB-CB 3.86Å; A99-C264 HydrophobicContact CB-CB 4.15Å; F247-C264 WeakPolarHBondContact O-CB 3.22Å; F247-C264 PolarHBondContact O-N 3.49Å; F247-C264 PolarHBondContact O-SG 3.03Å
265G94.7Very high85.3Confident29 Ų2952.8 Ų52.830%0.29933%0.326SS..  trans109-149177.300000112.4P249 S250 S263P249-G265 CarbonylContact C-O 3.31Å; P249-G265 VanDerWaalsContact CA-O 3.3Å; P249-G265 WeakPolarHBondContact CA-O 3.47Å; S250-G265 PolarHBondContact N-O 3.06Å; S263-G265 PolarHBondContact O-N 3.41Å; S263-G265 PolarHBondContact OG-N 3.21Å; S263-G265 PolarHBondContact OG-O 3.44Å
266T95.3Very high86.7Confident66 Ų6653.5 Ų53.541%0.40533%0.326SS..  trans-122.6125.7-179.5-59.10000109.4S250 P252 S268S250-T266 WeakPolarHBondContact O-CA 3.45Å; S250-T266 WeakPolarHBondContact O-CB 3.42Å; S250-T266 PolarHBondContact O-OG1 3.11Å; P252-T266 WeakPolarHBondContact CD-OG1 3.4Å; T266-S268 WeakPolarHBondContact CG2-O 3.3Å
267V96.7Very high88.4Confident21 Ų2151 Ų5113%0.12731%0.313CS..  trans-107.7-20.7-174.8-62.70000113.2Q82 P83 Q88 Y91 T92 L95 P249Q82-V267 HydrophobicContact CB-CG2 4.2Å; Q82-V267 HydrophobicContact CG-CG2 3.91Å; Q82-V267 VanDerWaalsContact OE1-CG2 3.24Å; P83-V267 HydrophobicContact CG-CG2 4.29Å; Q88-V267 PolarHBondContact NE2-O 2.63Å; Y91-V267 HydrophobicContact CD1-CG1 4.29Å; Y91-V267 HydrophobicContact CE1-CG1 4.13Å; T92-V267 HydrophobicContact CG2-CG1 4.11Å; T92-V267 HydrophobicContact CG2-CG2 4.12Å; T92-V267 WeakPolarHBondContact OG1-CG2 3.25Å; L95-V267 HydrophobicContact CD1-CG1 3.95Å; P249-V267 HydrophobicContact CB-CG2 4.08Å; P249-V267 HydrophobicContact CG-CG2 4.31Å
268S96.5Very high90.2Very high8 Ų849 Ų496%0.05630%0.297CS..SBendtrans-132.5152.8175.9-60.90000110.8Q82 T266 C270Q82-S268 WeakPolarHBondContact O-CB 3.41Å; Q82-S268 PolarHBondContact O-OG 3.24Å; T266-S268 WeakPolarHBondContact CG2-O 3.3Å; S268-C270 PolarHBondContact O-N 2.75Å
269A96Very high92.1Very high77 Ų7740.8 Ų40.864%0.63626%0.256SS*.SBendtrans-65.3-22.3-178.100000114.3Y50 H251Y50-A269 PolarHBondContact OH-O 3.13Å; H251-A269 PolarHBondContact NE2-O 2.98Å
270C91.9Very high93.6Very high35 Ų3537.7 Ų37.724%0.23624%0.24CC..SBendtrans-114.4153.3179.3-670000110.8P49 S268 W272 G273P49-C270 HydrophobicContact CB-CB 4.38Å; S268-C270 PolarHBondContact O-N 2.75Å; C270-W272 VanDerWaalsContact C-N 3.25Å; C270-W272 PolarHBondContact O-N 3.32Å; C270-W272 VanDerWaalsContact O-N 3.16Å; C270-G273 WeakPolarHBondContact CB-O 3.43Å; C270-G273 PolarHBondContact O-N 3.06Å
271H87.9Confident94.7Very high20 Ų2033.2 Ų33.29%0.09321%0.212CC..THydrogen-bonded Turntrans-52.1-42.9-175.1-62.1175.9000112.9Y50 H251 G254Y50-H271 AromaticContact CD1-CE1 3.98Å; Y50-H271 AromaticContact CD1-NE2 3.53Å; Y50-H271 AromaticContact CE1-CD2 3.93Å; Y50-H271 AromaticContact CE1-NE2 3.71Å; H251-H271 AromaticContact CD2-CD2 3.9Å; H251-H271 AromaticContact CE1-CD2 3.62Å; H251-H271 AromaticContact CE1-NE2 3.67Å; H251-H271 AromaticContact CG-CD2 3.27Å; H251-H271 AromaticContact CG-NE2 3.79Å; H251-H271 AromaticContact ND1-CD2 3.06Å; H251-H271 PolarHBondContact ND1-CD2 2.95Å; H251-H271 AromaticContact ND1-NE2 3.09Å; H251-H271 PolarHBondContact ND1-NE2 3.39Å; G254-H271 PolarHBondContact O-CD2 3.06Å; G254-H271 PolarHBondContact O-CE1 3.34Å; G254-H271 PolarHBondContact O-ND1 3.36Å; G254-H271 PolarHBondContact O-NE2 3.16Å
272W93.1Very high95.6Very high39 Ų3929.5 Ų29.515%0.14819%0.187CC..THydrogen-bonded Turntrans-125.334.9-175.3-56-76.4000112.4L53 F63 F81 M235 D256 C270 S274 P275L53-W272 HydrophobicContact CD2-CH2 4.02Å; F63-W272 AromaticContact CD2-CD1 3.98Å; F63-W272 AromaticContact CD2-CD2 3.9Å; F63-W272 HydrophobicContact CD2-CD2 3.9Å; F63-W272 AromaticContact CD2-CE2 3.71Å; F63-W272 HydrophobicContact CD2-CE3 4.49Å; F63-W272 HydrophobicContact CD2-CG 4.07Å; F63-W272 HydrophobicContact CD2-CZ2 4.16Å; F63-W272 AromaticContact CD2-NE1 3.76Å; F63-W272 HydrophobicContact CE1-CB 4.28Å; F63-W272 HydrophobicContact CE1-CG 4.38Å; F63-W272 HydrophobicContact CE2-CB 4.24Å; F63-W272 AromaticContact CE2-CD1 3.98Å; F63-W272 AromaticContact CE2-CD2 3.24Å; F63-W272 HydrophobicContact CE2-CD2 3.24Å; F63-W272 AromaticContact CE2-CE2 3.5Å; F63-W272 VanDerWaalsContact CE2-CE2 3.5Å; F63-W272 AromaticContact CE2-CE3 3.49Å; F63-W272 HydrophobicContact CE2-CE3 3.49Å; F63-W272 VanDerWaalsContact CE2-CE3 3.49Å; F63-W272 AromaticContact CE2-CG 3.59Å; F63-W272 HydrophobicContact CE2-CG 3.59Å; F63-W272 HydrophobicContact CE2-CH2 4.18Å; F63-W272 AromaticContact CE2-CZ2 3.97Å; F63-W272 HydrophobicContact CE2-CZ2 3.97Å; F63-W272 AromaticContact CE2-CZ3 3.97Å; F63-W272 HydrophobicContact CE2-CZ3 3.97Å; F63-W272 AromaticContact CE2-NE1 3.92Å; F63-W272 HydrophobicContact CZ-CB 3.89Å; F63-W272 AromaticContact CZ-CD2 3.77Å; F63-W272 HydrophobicContact CZ-CD2 3.77Å; F63-W272 AromaticContact CZ-CE3 3.92Å; F63-W272 HydrophobicContact CZ-CE3 3.92Å; F63-W272 AromaticContact CZ-CG 3.77Å; F63-W272 HydrophobicContact CZ-CG 3.77Å; F81-W272 HydrophobicContact CB-CB 4.41Å; F81-W272 CarbonylContact O-C 3.49Å; M235-W272 WeakPolarHBondContact CE-O 3.43Å; D256-W272 HydrophobicContact CB-CZ2 4.39Å; C270-W272 VanDerWaalsContact C-N 3.25Å; C270-W272 PolarHBondContact O-N 3.32Å; C270-W272 VanDerWaalsContact O-N 3.16Å; W272-S274 PolarHBondContact O-N 3.35Å; W272-S274 VanDerWaalsContact O-N 3.12Å; W272-P275 HydrophobicContact CB-CB 4.42Å
273G95.2Very high96.1Very high10 Ų1028.6 Ų28.610%0.10318%0.18CC..SBendtrans61.9-113.7176.600000112.5Q82 C270 P275Q82-G273 WeakPolarHBondContact O-CA 3.47Å; C270-G273 WeakPolarHBondContact CB-O 3.43Å; C270-G273 PolarHBondContact O-N 3.06Å; G273-P275 VanDerWaalsContact C-CD 3.45Å; G273-P275 WeakPolarHBondContact O-CD 3.44Å
274S97.6Very high96.4Very high39 Ų3928.2 Ų28.227%0.27318%0.176SC..SBendtrans-109.773.8179.7-53.40000110.7M235 W272 S276 I277M235-S274 PolarHBondContact SD-N 2.62Å; W272-S274 PolarHBondContact O-N 3.35Å; W272-S274 VanDerWaalsContact O-N 3.12Å; S274-S276 VanDerWaalsContact C-N 3.31Å; S274-S276 PolarHBondContact O-N 2.93Å; S274-I277 WeakPolarHBondContact O-CG1 3.19Å; S274-I277 PolarHBondContact O-N 2.93Å
275P96.5Very high96.5Very high30 Ų3027.6 Ų27.620%0.19517%0.17CC..G310 helixtrans-69.2-24.4-16829.2-37.8000113.9Y59 F63 W272 G273 I277 L278Y59-P275 HydrophobicContact CD1-CB 4.12Å; Y59-P275 HydrophobicContact CE1-CB 3.65Å; Y59-P275 HydrophobicContact CE1-CG 4.41Å; Y59-P275 WeakPolarHBondContact CE1-O 3.37Å; F63-P275 HydrophobicContact CE1-CB 4.01Å; F63-P275 HydrophobicContact CZ-CB 3.82Å; W272-P275 HydrophobicContact CB-CB 4.42Å; G273-P275 VanDerWaalsContact C-CD 3.45Å; G273-P275 WeakPolarHBondContact O-CD 3.44Å; P275-I277 PolarHBondContact O-N 3.22Å; P275-I277 VanDerWaalsContact O-N 3.17Å; P275-L278 WeakPolarHBondContact O-CB 3.41Å; P275-L278 PolarHBondContact O-N 3.5Å; P275-L278 VanDerWaalsContact O-N 3.09Å
276S97.6Very high96.7Very high42 Ų4228.6 Ų28.629%0.29418%0.176SC..G310 helixtrans-65.2-15.7-179.859.50000114.8C39 Y59 S274 P279C39-S276 PolarHBondContact SG-O 3.08Å; Y59-S276 WeakPolarHBondContact OH-CA 3.28Å; Y59-S276 PolarHBondContact OH-N 3.36Å; S274-S276 VanDerWaalsContact C-N 3.31Å; S274-S276 PolarHBondContact O-N 2.93Å; S276-P279 WeakPolarHBondContact O-CD 3.44Å
277I98.5Very high96.9Very high23 Ų2328.8 Ų28.812%0.11818%0.18CC..G310 helixtrans-101.2-3.7174.959.5174.1000113.6I226 P233 M235 S274 P275 V280 P281I226-I277 HydrophobicContact CD1-CB 4.4Å; I226-I277 HydrophobicContact CD1-CD1 4.03Å; I226-I277 HydrophobicContact CD1-CG1 4.09Å; I226-I277 HydrophobicContact CG2-CD1 4.03Å; P233-I277 HydrophobicContact CB-CD1 3.86Å; P233-I277 HydrophobicContact CG-CD1 3.84Å; M235-I277 HydrophobicContact CG-CD1 3.94Å; M235-I277 HydrophobicContact CG-CG1 4.09Å; S274-I277 WeakPolarHBondContact O-CG1 3.19Å; S274-I277 PolarHBondContact O-N 2.93Å; P275-I277 PolarHBondContact O-N 3.22Å; P275-I277 VanDerWaalsContact O-N 3.17Å; I277-V280 WeakPolarHBondContact O-CB 3.48Å; I277-V280 WeakPolarHBondContact O-CG2 3.18Å; I277-V280 PolarHBondContact O-N 3.33Å; I277-P281 WeakPolarHBondContact O-CD 3.49Å
278L98.5Very high96.9Very high0 Ų030.9 Ų30.90%019%0.189CC..THydrogen-bonded Turntrans-71.2-16.9174.4-66.8-177.3000115.7L62 F63 L66 F81 L220 M235 P275 V280 P281 W282L62-L278 HydrophobicContact CD2-CB 3.85Å; F63-L278 HydrophobicContact CD1-CD1 4Å; F63-L278 HydrophobicContact CE1-CD1 3.74Å; L66-L278 HydrophobicContact CD1-CB 3.92Å; L66-L278 HydrophobicContact CD1-CD1 4.41Å; L66-L278 HydrophobicContact CD1-CD2 4.34Å; L66-L278 HydrophobicContact CD1-CG 4.46Å; F81-L278 HydrophobicContact CB-CD1 4.28Å; F81-L278 HydrophobicContact CD1-CD1 4.05Å; F81-L278 HydrophobicContact CD1-CD2 4.41Å; F81-L278 HydrophobicContact CG-CD1 4.28Å; L220-L278 HydrophobicContact CD1-CD2 3.55Å; M235-L278 HydrophobicContact CB-CD2 4.29Å; M235-L278 HydrophobicContact CE-CD1 4.11Å; M235-L278 HydrophobicContact CE-CD2 4.01Å; M235-L278 HydrophobicContact CE-CG 4.26Å; M235-L278 HydrophobicContact CG-CD2 3.95Å; P275-L278 WeakPolarHBondContact O-CB 3.41Å; P275-L278 PolarHBondContact O-N 3.5Å; P275-L278 VanDerWaalsContact O-N 3.09Å; L278-V280 PolarHBondContact O-N 3.45Å; L278-P281 HydrophobicContact CD2-CG 4.28Å; L278-P281 WeakPolarHBondContact O-CD 3.39Å; L278-P281 VanDerWaalsContact O-CG 3.22Å; L278-P281 WeakPolarHBondContact O-CG 3.38Å; L278-W282 PolarHBondContact O-N 3.35Å
279P98.6Very high97Very high3 Ų332 Ų322%0.01920%0.202CC..Hα-helixtrans-59.5-29165.9-2837.6000113.8P38 F44 L62 S276 W282 I283P38-P279 HydrophobicContact CB-CB 3.82Å; P38-P279 HydrophobicContact CB-CG 4.36Å; P38-P279 HydrophobicContact CG-CB 4.24Å; F44-P279 HydrophobicContact CD1-CG 3.92Å; F44-P279 HydrophobicContact CD2-CG 3.96Å; F44-P279 HydrophobicContact CE1-CG 3.82Å; F44-P279 HydrophobicContact CE2-CB 4.41Å; F44-P279 HydrophobicContact CE2-CG 3.86Å; F44-P279 HydrophobicContact CG-CG 3.99Å; F44-P279 HydrophobicContact CZ-CB 4.49Å; F44-P279 HydrophobicContact CZ-CG 3.79Å; L62-P279 HydrophobicContact CD2-CG 4.31Å; S276-P279 WeakPolarHBondContact O-CD 3.44Å; P279-W282 PolarHBondContact O-N 2.96Å; P279-I283 WeakPolarHBondContact O-CB 3.4Å; P279-I283 WeakPolarHBondContact O-CG1 3.38Å; P279-I283 PolarHBondContact O-N 3.23Å
280V98.8Very high97.1Very high0 Ų032.4 Ų32.40%021%0.205CC..Hα-helixtrans-59.8-58.9-179.6-176.80000112Q35 L36 C39 C225 I226 I277 L278 W282 I283 Y284Q35-V280 HydrophobicContact CB-CB 4.49Å; Q35-V280 HydrophobicContact CB-CG1 3.87Å; Q35-V280 WeakPolarHBondContact O-CG2 3.12Å; L36-V280 HydrophobicContact CD2-CG2 4.15Å; C39-V280 VanDerWaalsContact SG-CG2 3.52Å; C225-V280 HydrophobicContact CB-CG1 4.21Å; C225-V280 VanDerWaalsContact O-CG1 3.29Å; C225-V280 WeakPolarHBondContact O-CG1 3.33Å; I226-V280 HydrophobicContact CG1-CB 4.02Å; I226-V280 HydrophobicContact CG1-CG1 4.22Å; I277-V280 WeakPolarHBondContact O-CB 3.48Å; I277-V280 WeakPolarHBondContact O-CG2 3.18Å; I277-V280 PolarHBondContact O-N 3.33Å; L278-V280 PolarHBondContact O-N 3.45Å; V280-W282 VanDerWaalsContact C-N 3.28Å; V280-W282 PolarHBondContact O-N 3.49Å; V280-I283 PolarHBondContact O-N 2.94Å; V280-Y284 PolarHBondContact O-N 2.99Å
281P98.8Very high97.5Very high0 Ų039.1 Ų39.10%023%0.23CC..Hα-helixtrans-65.3-32.2176.828.4-38.3000112L66 L220 F224 I226 I277 L278 Y284 I285L66-P281 HydrophobicContact CD2-CB 4.45Å; L66-P281 HydrophobicContact CD2-CG 4.42Å; L220-P281 HydrophobicContact CD1-CG 4.15Å; F224-P281 HydrophobicContact CB-CB 3.71Å; F224-P281 WeakPolarHBondContact O-CA 3.3Å; I226-P281 HydrophobicContact CD1-CG 4.5Å; I277-P281 WeakPolarHBondContact O-CD 3.49Å; L278-P281 HydrophobicContact CD2-CG 4.28Å; L278-P281 WeakPolarHBondContact O-CD 3.39Å; L278-P281 VanDerWaalsContact O-CG 3.22Å; L278-P281 WeakPolarHBondContact O-CG 3.38Å; P281-Y284 PolarHBondContact O-N 2.68Å; P281-I285 WeakPolarHBondContact O-CD1 3.36Å; P281-I285 VanDerWaalsContact O-CG1 3.27Å; P281-I285 WeakPolarHBondContact O-CG1 3.48Å; P281-I285 PolarHBondContact O-N 3.27Å
282W98.7Very high98Very high82 Ų8239 Ų3931%0.31124%0.235SC..Hα-helixtrans-62.5-48177.7-173.4101.4000111L62 D65 L66 W69 L278 P279 V280 Y284 I285 A286L62-W282 HydrophobicContact CD1-CB 3.53Å; L62-W282 VanDerWaalsContact CD1-CD1 3.45Å; L62-W282 HydrophobicContact CD1-CD2 4.2Å; L62-W282 HydrophobicContact CD1-CG 3.44Å; L62-W282 VanDerWaalsContact CD1-CG 3.44Å; D65-W282 VanDerWaalsContact CB-NE1 3.33Å; D65-W282 PolarHBondContact OD2-NE1 2.64Å; L66-W282 HydrophobicContact CD2-CB 3.91Å; L66-W282 HydrophobicContact CD2-CG 4.49Å; L66-W282 HydrophobicContact CG-CB 4.25Å; W69-W282 AromaticContact CH2-CD1 3.81Å; W69-W282 HydrophobicContact CH2-CD2 4.06Å; W69-W282 AromaticContact CH2-CE2 3.49Å; W69-W282 VanDerWaalsContact CH2-CE2 3.49Å; W69-W282 HydrophobicContact CH2-CG 4.25Å; W69-W282 AromaticContact CH2-CZ2 3.86Å; W69-W282 HydrophobicContact CH2-CZ2 3.86Å; W69-W282 AromaticContact CH2-NE1 3.37Å; W69-W282 AromaticContact CZ3-CD1 3.42Å; W69-W282 VanDerWaalsContact CZ3-CD1 3.42Å; W69-W282 AromaticContact CZ3-CD2 4Å; W69-W282 HydrophobicContact CZ3-CD2 4Å; W69-W282 AromaticContact CZ3-CE2 3.85Å; W69-W282 AromaticContact CZ3-CG 3.75Å; W69-W282 HydrophobicContact CZ3-CG 3.75Å; W69-W282 AromaticContact CZ3-NE1 3.52Å; L278-W282 PolarHBondContact O-N 3.35Å; P279-W282 PolarHBondContact O-N 2.96Å; V280-W282 VanDerWaalsContact C-N 3.28Å; V280-W282 PolarHBondContact O-N 3.49Å; W282-Y284 PolarHBondContact O-N 3.4Å; W282-I285 PolarHBondContact O-N 3.17Å; W282-A286 HydrophobicContact CE3-CB 4.16Å; W282-A286 HydrophobicContact CH2-CB 4.28Å; W282-A286 HydrophobicContact CZ3-CB 3.97Å; W282-A286 VanDerWaalsContact O-CB 3.24Å; W282-A286 WeakPolarHBondContact O-CB 3.49Å; W282-A286 PolarHBondContact O-N 3.44Å
283I98.7Very high98.3Very high32 Ų3237.6 Ų37.616%0.16423%0.23CC..Hα-helixtrans-65.8-39.7177.5-69.7-179.3000110.8I34 Q35 P38 P279 V280 S287I34-I283 HydrophobicContact CD1-CG2 4.07Å; I34-I283 HydrophobicContact CG1-CG2 4.28Å; I34-I283 VanDerWaalsContact O-CD1 3.23Å; I34-I283 WeakPolarHBondContact O-CD1 3.38Å; Q35-I283 HydrophobicContact CB-CB 4.44Å; Q35-I283 HydrophobicContact CB-CG2 4.34Å; Q35-I283 HydrophobicContact CG-CB 4.11Å; Q35-I283 HydrophobicContact CG-CG2 3.72Å; P38-I283 HydrophobicContact CG-CD1 3.44Å; P38-I283 VanDerWaalsContact CG-CD1 3.44Å; P279-I283 WeakPolarHBondContact O-CB 3.4Å; P279-I283 WeakPolarHBondContact O-CG1 3.38Å; P279-I283 PolarHBondContact O-N 3.23Å; V280-I283 PolarHBondContact O-N 2.94Å; I283-S287 VanDerWaalsContact O-CB 3.22Å; I283-S287 WeakPolarHBondContact O-CB 3.46Å; I283-S287 PolarHBondContact O-N 3.05Å; I283-S287 PolarHBondContact O-OG 3.08Å
284Y98.8Very high98.4Very high12 Ų1243.4 Ų43.45%0.04725%0.249CC..Hα-helixtrans-57.4-52.3175.3171.1-115.2000111.5K29 F224 C225 V280 P281 W282 S287 M288 L293K29-Y284 PolarHBondContact NZ-OH 3.09Å; F224-Y284 HydrophobicContact CB-CD1 4.35Å; F224-Y284 AromaticContact CD1-CD1 3.99Å; F224-Y284 HydrophobicContact CD1-CD1 3.99Å; F224-Y284 AromaticContact CD1-CE1 3.96Å; F224-Y284 HydrophobicContact CD1-CE1 3.96Å; C225-Y284 WeakPolarHBondContact SG-CD2 3.44Å; V280-Y284 PolarHBondContact O-N 2.99Å; P281-Y284 PolarHBondContact O-N 2.68Å; W282-Y284 PolarHBondContact O-N 3.4Å; Y284-S287 PolarHBondContact O-N 3.37Å; Y284-S287 PolarHBondContact O-OG 3.02Å; Y284-M288 HydrophobicContact CD2-CG 3.64Å; Y284-M288 HydrophobicContact CE2-CE 4.06Å; Y284-M288 HydrophobicContact CE2-CG 3.51Å; Y284-M288 HydrophobicContact CE2-SD 4.2Å; Y284-M288 HydrophobicContact CG-CG 4.46Å; Y284-M288 VanDerWaalsContact O-CB 3.29Å; Y284-M288 WeakPolarHBondContact O-CB 3.21Å; Y284-M288 WeakPolarHBondContact O-CG 3.31Å; Y284-M288 PolarHBondContact O-N 2.99Å; Y284-L293 HydrophobicContact CD1-CD2 4.15Å; Y284-L293 HydrophobicContact CE1-CD2 3.43Å; Y284-L293 VanDerWaalsContact CE1-CD2 3.43Å; Y284-L293 HydrophobicContact CE2-CD2 4.45Å
285I98.8Very high98.5Very high11 Ų1144.4 Ų44.46%0.05625%0.254CS..Hα-helixtrans-63.9-46.9-178.8-65.9161.6000110.6L66 W69 L70 M73 F224 P281 W282 S287 G289 L293L66-I285 HydrophobicContact CD2-CD1 4.02Å; W69-I285 HydrophobicContact CB-CG2 4.01Å; W69-I285 HydrophobicContact CD2-CG2 3.77Å; W69-I285 HydrophobicContact CE3-CB 3.86Å; W69-I285 HydrophobicContact CE3-CD1 4.31Å; W69-I285 HydrophobicContact CE3-CG2 3.41Å; W69-I285 VanDerWaalsContact CE3-CG2 3.41Å; W69-I285 HydrophobicContact CG-CG2 4.05Å; W69-I285 HydrophobicContact CZ3-CB 4.23Å; W69-I285 HydrophobicContact CZ3-CG2 4.09Å; L70-I285 HydrophobicContact CD2-CD1 4.28Å; M73-I285 HydrophobicContact CE-CD1 3.64Å; M73-I285 HydrophobicContact CE-CG1 3.97Å; M73-I285 HydrophobicContact CE-CG2 4.34Å; F224-I285 HydrophobicContact CD1-CD1 4.15Å; F224-I285 HydrophobicContact CD1-CG1 4.18Å; F224-I285 HydrophobicContact CE1-CD1 4.38Å; F224-I285 HydrophobicContact CE1-CG1 4.47Å; P281-I285 WeakPolarHBondContact O-CD1 3.36Å; P281-I285 VanDerWaalsContact O-CG1 3.27Å; P281-I285 WeakPolarHBondContact O-CG1 3.48Å; P281-I285 PolarHBondContact O-N 3.27Å; W282-I285 PolarHBondContact O-N 3.17Å; I285-S287 PolarHBondContact O-N 3.36Å; I285-G289 PolarHBondContact O-N 2.72Å; I285-L293 HydrophobicContact CG2-CD1 4.22Å
286A98.5Very high98.6Very high50 Ų5043.2 Ų43.241%0.41325%0.246SC..Hα-helixtrans-63.8-39.2-178.900000113W69 W282W69-A286 HydrophobicContact CH2-CB 4.05Å; W69-A286 HydrophobicContact CZ3-CB 4.33Å; W282-A286 HydrophobicContact CE3-CB 4.16Å; W282-A286 HydrophobicContact CH2-CB 4.28Å; W282-A286 HydrophobicContact CZ3-CB 3.97Å; W282-A286 VanDerWaalsContact O-CB 3.24Å; W282-A286 WeakPolarHBondContact O-CB 3.49Å; W282-A286 PolarHBondContact O-N 3.44Å
287S98.2Very high98.7Very high70 Ų7041.3 Ų41.349%0.4923%0.233SC..Hα-helixtrans-77.9-33.7-179.658.80000113.4I283 Y284 I285I283-S287 VanDerWaalsContact O-CB 3.22Å; I283-S287 WeakPolarHBondContact O-CB 3.46Å; I283-S287 PolarHBondContact O-N 3.05Å; I283-S287 PolarHBondContact O-OG 3.08Å; Y284-S287 PolarHBondContact O-N 3.37Å; Y284-S287 PolarHBondContact O-OG 3.02Å; I285-S287 PolarHBondContact O-N 3.36Å
288M98.6Very high98.7Very high66 Ų6644.3 Ų44.333%0.32525%0.246SC..Hα-helixtrans-78.6-40.6179.5-67.9-68.8-82.200111.8Y284 G292 L293 A296Y284-M288 HydrophobicContact CD2-CG 3.64Å; Y284-M288 HydrophobicContact CE2-CE 4.06Å; Y284-M288 HydrophobicContact CE2-CG 3.51Å; Y284-M288 HydrophobicContact CE2-SD 4.2Å; Y284-M288 HydrophobicContact CG-CG 4.46Å; Y284-M288 VanDerWaalsContact O-CB 3.29Å; Y284-M288 WeakPolarHBondContact O-CB 3.21Å; Y284-M288 WeakPolarHBondContact O-CG 3.31Å; Y284-M288 PolarHBondContact O-N 2.99Å; M288-G292 VanDerWaalsContact CE-O 3.3Å; M288-G292 WeakPolarHBondContact CE-O 3.15Å; M288-G292 VanDerWaalsContact O-CA 3.25Å; M288-G292 WeakPolarHBondContact O-CA 3.37Å; M288-G292 PolarHBondContact O-N 3.02Å; M288-G292 VanDerWaalsContact O-N 3.09Å; M288-L293 HydrophobicContact CB-CD2 3.93Å; M288-L293 HydrophobicContact CB-CG 3.83Å; M288-L293 HydrophobicContact CG-CD2 4.37Å; M288-A296 HydrophobicContact CE-CB 3.81Å
289G98.5Very high98.7Very high31 Ų3146.4 Ų46.432%0.3226%0.259SS..Hα-helixtrans58.5178.9-169.400000112.9I285 K291 G292 L293I285-G289 PolarHBondContact O-N 2.72Å; G289-K291 VanDerWaalsContact C-N 3.3Å; G289-K291 PolarHBondContact O-N 2.54Å; G289-G292 PolarHBondContact O-N 2.92Å; G289-L293 WeakPolarHBondContact O-CB 3.21Å; G289-L293 VanDerWaalsContact O-CG 3.24Å; G289-L293 WeakPolarHBondContact O-CG 3.1Å; G289-L293 PolarHBondContact O-N 3.06Å
290A98.3Very high98.7Very high85 Ų8546.2 Ų46.270%0.70226%0.258SS*.Hα-helixtrans-57.2-41.4-175.700000113.3R294A290-R294 WeakPolarHBondContact O-CB 3.23Å; A290-R294 PolarHBondContact O-N 2.9Å
291K98.6Very high98.7Very high177 Ų17747.9 Ų47.977%0.7727%0.266SS*.Hα-helixtrans-65.9-48.1179.4-174.1-178.9177.8-1760111.5G289 R294 T295G289-K291 VanDerWaalsContact C-N 3.3Å; G289-K291 PolarHBondContact O-N 2.54Å; K291-R294 PolarHBondContact O-N 2.92Å; K291-T295 PolarHBondContact O-N 3.46Å; K291-T295 PolarHBondContact O-OG1 2.99Å; K291-T295 VanDerWaalsContact O-OG1 3.11Å
292G98.7Very high98.7Very high18 Ų1853.1 Ų53.119%0.18629%0.294CS..Hα-helixtrans-64-43.2-179.700000111.7M288 G289 R294 T295 A296M288-G292 VanDerWaalsContact CE-O 3.3Å; M288-G292 WeakPolarHBondContact CE-O 3.15Å; M288-G292 VanDerWaalsContact O-CA 3.25Å; M288-G292 WeakPolarHBondContact O-CA 3.37Å; M288-G292 PolarHBondContact O-N 3.02Å; M288-G292 VanDerWaalsContact O-N 3.09Å; G289-G292 PolarHBondContact O-N 2.92Å; G292-R294 PolarHBondContact O-N 2.94Å; G292-T295 PolarHBondContact O-N 3.14Å; G292-A296 PolarHBondContact O-N 3.16Å
293L98.9Very high98.7Very high9 Ų949.9 Ų49.95%0.04728%0.283CS..Hα-helixtrans-60.8-45176.9-69.9171000112M73 V203 Y284 I285 M288 G289 T295 A296 T297M73-L293 HydrophobicContact SD-CD1 3.79Å; V203-L293 HydrophobicContact CG1-CB 3.88Å; V203-L293 HydrophobicContact CG1-CD2 4.47Å; Y284-L293 HydrophobicContact CD1-CD2 4.15Å; Y284-L293 HydrophobicContact CE1-CD2 3.43Å; Y284-L293 VanDerWaalsContact CE1-CD2 3.43Å; Y284-L293 HydrophobicContact CE2-CD2 4.45Å; I285-L293 HydrophobicContact CG2-CD1 4.22Å; M288-L293 HydrophobicContact CB-CD2 3.93Å; M288-L293 HydrophobicContact CB-CG 3.83Å; M288-L293 HydrophobicContact CG-CD2 4.37Å; G289-L293 WeakPolarHBondContact O-CB 3.21Å; G289-L293 VanDerWaalsContact O-CG 3.24Å; G289-L293 WeakPolarHBondContact O-CG 3.1Å; G289-L293 PolarHBondContact O-N 3.06Å; L293-T295 PolarHBondContact O-N 3.37Å; L293-A296 WeakPolarHBondContact O-CB 3.41Å; L293-A296 PolarHBondContact O-N 3.19Å; L293-T297 PolarHBondContact O-N 3.25Å; L293-T297 PolarHBondContact O-OG1 2.94Å
294R98.8Very high98.7Very high131 Ų13148.4 Ų48.449%0.49428%0.275SS..Hα-helixtrans-61.1-44174179.7173.9-179.4161.14.4111.9G204 L205 A290 K291 G292 A296 T297 Q298G204-R294 WeakPolarHBondContact O-CD 3.43Å; G204-R294 WeakPolarHBondContact O-CG 3.5Å; L205-R294 HydrophobicContact CD2-CG 4.02Å; A290-R294 WeakPolarHBondContact O-CB 3.23Å; A290-R294 PolarHBondContact O-N 2.9Å; K291-R294 PolarHBondContact O-N 2.92Å; G292-R294 PolarHBondContact O-N 2.94Å; R294-A296 VanDerWaalsContact C-N 3.35Å; R294-T297 PolarHBondContact O-N 3.16Å; R294-Q298 VanDerWaalsContact O-CG 3.3Å; R294-Q298 WeakPolarHBondContact O-CG 3.34Å; R294-Q298 PolarHBondContact O-N 3.48Å
295T98.9Very high98.7Very high61 Ų6148.9 Ų48.937%0.37428%0.278SS..Hα-helixtrans-64-39.6178-63.50000111.8K291 G292 L293 T297 Q298 V299K291-T295 PolarHBondContact O-N 3.46Å; K291-T295 PolarHBondContact O-OG1 2.99Å; K291-T295 VanDerWaalsContact O-OG1 3.11Å; G292-T295 PolarHBondContact O-N 3.14Å; L293-T295 PolarHBondContact O-N 3.37Å; T295-T297 PolarHBondContact O-N 2.88Å; T295-Q298 PolarHBondContact O-N 3.37Å; T295-V299 HydrophobicContact CG2-CG2 4.15Å; T295-V299 WeakPolarHBondContact O-CG2 3.3Å; T295-V299 PolarHBondContact O-N 3.32Å
296A98.9Very high98.8Very high5 Ų551.1 Ų51.14%0.04129%0.286CS..Hα-helixtrans-55.6-53.1175.100000111.2M288 G292 L293 R294 Q298 V299 A300 E376M288-A296 HydrophobicContact CE-CB 3.81Å; G292-A296 PolarHBondContact O-N 3.16Å; L293-A296 WeakPolarHBondContact O-CB 3.41Å; L293-A296 PolarHBondContact O-N 3.19Å; R294-A296 VanDerWaalsContact C-N 3.35Å; A296-Q298 VanDerWaalsContact C-N 3.33Å; A296-Q298 PolarHBondContact O-N 3.4Å; A296-V299 PolarHBondContact O-N 3.3Å; A296-A300 PolarHBondContact O-N 2.86Å; A296-E376 HydrophobicContact CB-CB 4.47Å; A296-E376 HydrophobicContact CB-CG 3.78Å; A296-E376 WeakPolarHBondContact O-CB 3.38Å
297T98.9Very high98.8Very high1 Ų148.7 Ų48.71%0.00627%0.267CS..Hα-helixtrans-57.3-44.2176.5-56.40000112.6N200 A201 V203 L205 L293 R294 T295 V299 A300 I301N200-T297 WeakPolarHBondContact O-CG2 3.43Å; A201-T297 WeakPolarHBondContact O-CG2 3.33Å; V203-T297 VanDerWaalsContact O-CB 3.26Å; V203-T297 WeakPolarHBondContact O-CB 3.29Å; V203-T297 PolarHBondContact O-OG1 3.23Å; L205-T297 HydrophobicContact CD1-CG2 3.46Å; L205-T297 VanDerWaalsContact CD1-CG2 3.46Å; L205-T297 HydrophobicContact CG-CG2 3.82Å; L293-T297 PolarHBondContact O-N 3.25Å; L293-T297 PolarHBondContact O-OG1 2.94Å; R294-T297 PolarHBondContact O-N 3.16Å; T295-T297 PolarHBondContact O-N 2.88Å; T297-V299 PolarHBondContact O-N 3.05Å; T297-A300 PolarHBondContact O-N 2.89Å; T297-I301 HydrophobicContact CG2-CD1 4.28Å; T297-I301 WeakPolarHBondContact O-CG1 3.47Å; T297-I301 PolarHBondContact O-N 3.2Å; T297-I301 VanDerWaalsContact O-N 3.13Å
298Q98.9Very high98.8Very high86 Ų8645.4 Ų45.440%0.40224%0.243SC..Hα-helixtrans-62-41.4177.9-71.7174.1-41.900112.4L205 R294 T295 A296 L302L205-Q298 HydrophobicContact CD1-CG 4.49Å; L205-Q298 HydrophobicContact CD2-CG 3.99Å; R294-Q298 VanDerWaalsContact O-CG 3.3Å; R294-Q298 WeakPolarHBondContact O-CG 3.34Å; R294-Q298 PolarHBondContact O-N 3.48Å; T295-Q298 PolarHBondContact O-N 3.37Å; A296-Q298 VanDerWaalsContact C-N 3.33Å; A296-Q298 PolarHBondContact O-N 3.4Å; Q298-L302 VanDerWaalsContact O-CB 3.31Å; Q298-L302 WeakPolarHBondContact O-CB 3.33Å; Q298-L302 PolarHBondContact O-N 3.3Å
299V98.9Very high98.8Very high44 Ų4445.2 Ų45.227%0.26725%0.252SS..Hα-helixtrans-73.1-35.8179.3176.90000111.2T295 A296 T297 I301 L302 N303 E376T295-V299 HydrophobicContact CG2-CG2 4.15Å; T295-V299 WeakPolarHBondContact O-CG2 3.3Å; T295-V299 PolarHBondContact O-N 3.32Å; A296-V299 PolarHBondContact O-N 3.3Å; T297-V299 PolarHBondContact O-N 3.05Å; V299-I301 PolarHBondContact O-N 3.46Å; V299-L302 PolarHBondContact O-N 2.96Å; V299-N303 VanDerWaalsContact O-CB 3.3Å; V299-N303 WeakPolarHBondContact O-CB 3.37Å; V299-N303 VanDerWaalsContact O-CG 3.25Å; V299-N303 PolarHBondContact O-N 3.41Å; V299-E376 HydrophobicContact CB-CB 3.96Å; V299-E376 HydrophobicContact CG1-CB 4.03Å
300A98.9Very high98.8Very high0 Ų047.7 Ų47.70%025%0.252CS..Hα-helixtrans-58.6-46.9173.200000111.5A296 T297 N303 A304 H328 E376A296-A300 PolarHBondContact O-N 2.86Å; T297-A300 PolarHBondContact O-N 2.89Å; A300-N303 PolarHBondContact O-N 3.03Å; A300-A304 PolarHBondContact O-N 2.93Å; A300-A304 VanDerWaalsContact O-N 3.13Å; A300-H328 HydrophobicContact CB-CB 4.43Å; A300-E376 HydrophobicContact CB-CB 4.19Å
301I98.9Very high98.8Very high34 Ų3443.7 Ų43.717%0.17422%0.219CC..Hα-helixtrans-65.4-42.2175.5-64.4169000111.2F174 L205 T297 V299 A304 N305 A327F174-I301 HydrophobicContact CE2-CD1 4.38Å; F174-I301 HydrophobicContact CZ-CD1 4.33Å; L205-I301 HydrophobicContact CD1-CD1 3.84Å; T297-I301 HydrophobicContact CG2-CD1 4.28Å; T297-I301 WeakPolarHBondContact O-CG1 3.47Å; T297-I301 PolarHBondContact O-N 3.2Å; T297-I301 VanDerWaalsContact O-N 3.13Å; V299-I301 PolarHBondContact O-N 3.46Å; I301-A304 PolarHBondContact O-N 2.81Å; I301-N305 WeakPolarHBondContact CG2-ND2 3.46Å; I301-N305 WeakPolarHBondContact O-CB 3.4Å; I301-N305 PolarHBondContact O-N 3.45Å; I301-N305 PolarHBondContact O-ND2 3Å; I301-A327 WeakPolarHBondContact CA-O 3.16Å
302L98.9Very high98.8Very high110 Ų11037.6 Ų37.658%0.57620%0.198SC*.Hα-helixtrans-59.4-48.7177174.563.2000111.5Q298 V299 A304 N305 Y306Q298-L302 VanDerWaalsContact O-CB 3.31Å; Q298-L302 WeakPolarHBondContact O-CB 3.33Å; Q298-L302 PolarHBondContact O-N 3.3Å; V299-L302 PolarHBondContact O-N 2.96Å; L302-A304 PolarHBondContact O-N 2.88Å; L302-N305 PolarHBondContact O-N 3.12Å; L302-Y306 VanDerWaalsContact O-CB 3.29Å; L302-Y306 WeakPolarHBondContact O-CB 3.37Å; L302-Y306 PolarHBondContact O-N 2.89Å
303N98.9Very high98.7Very high15 Ų1543.6 Ų43.68%0.0823%0.226CC..Hα-helixtrans-61.9-44.7-178.3-76.5-1.9000111V299 A300 Y306 M307 P374 T375 E378 L383V299-N303 VanDerWaalsContact O-CB 3.3Å; V299-N303 WeakPolarHBondContact O-CB 3.37Å; V299-N303 VanDerWaalsContact O-CG 3.25Å; V299-N303 PolarHBondContact O-N 3.41Å; A300-N303 PolarHBondContact O-N 3.03Å; N303-Y306 PolarHBondContact O-N 3.49Å; N303-M307 WeakPolarHBondContact O-CG 3.21Å; N303-M307 PolarHBondContact O-N 3.09Å; N303-P374 HydrophobicContact CB-CB 4.22Å; N303-P374 HydrophobicContact CB-CG 3.7Å; N303-T375 PolarHBondContact ND2-O 3.04Å; N303-E378 PolarHBondContact ND2-O 2.9Å; N303-E378 VanDerWaalsContact ND2-O 3.15Å; N303-L383 HydrophobicContact CB-CD1 3.7Å; N303-L383 VanDerWaalsContact CG-CD1 3.48Å
304A98.9Very high98.7Very high0 Ų046.3 Ų46.30%024%0.238CC..Hα-helixtrans-62-45.7176.200000112.3A300 I301 L302 M307 S308 V326 H328 F330 P374A300-A304 PolarHBondContact O-N 2.93Å; A300-A304 VanDerWaalsContact O-N 3.13Å; I301-A304 PolarHBondContact O-N 2.81Å; L302-A304 PolarHBondContact O-N 2.88Å; A304-M307 PolarHBondContact O-N 2.69Å; A304-S308 VanDerWaalsContact O-CB 3.26Å; A304-S308 WeakPolarHBondContact O-CB 3.46Å; A304-S308 PolarHBondContact O-N 3.48Å; A304-V326 HydrophobicContact CB-CG2 4.26Å; A304-H328 VanDerWaalsContact CB-C 3.45Å; A304-H328 WeakPolarHBondContact CB-O 3.34Å; A304-F330 HydrophobicContact CB-CD1 4.29Å; A304-F330 WeakPolarHBondContact O-CD1 3.4Å; A304-F330 VanDerWaalsContact O-CE1 3.31Å; A304-F330 WeakPolarHBondContact O-CE1 3.45Å; A304-P374 HydrophobicContact CB-CG 4.25Å
305N98.9Very high98.7Very high22 Ų2240.2 Ų40.212%0.11822%0.216CC..Hα-helixtrans-68.5-35.3178-80.1-83000112.7I301 L302 S308 A309 F325 V326I301-N305 WeakPolarHBondContact CG2-ND2 3.46Å; I301-N305 WeakPolarHBondContact O-CB 3.4Å; I301-N305 PolarHBondContact O-N 3.45Å; I301-N305 PolarHBondContact O-ND2 3Å; L302-N305 PolarHBondContact O-N 3.12Å; N305-S308 PolarHBondContact O-N 3.08Å; N305-A309 VanDerWaalsContact O-CB 3.3Å; N305-A309 WeakPolarHBondContact O-CB 3.32Å; N305-A309 PolarHBondContact O-N 3.36Å; N305-F325 WeakPolarHBondContact OD1-CA 3.32Å; N305-F325 WeakPolarHBondContact OD1-CB 3.12Å; N305-F325 WeakPolarHBondContact OD1-CD1 3.12Å; N305-V326 HydrophobicContact CB-CG2 4.49Å; N305-V326 PolarHBondContact ND2-O 3.27Å; N305-V326 WeakPolarHBondContact OD1-CG2 3.25Å; N305-V326 PolarHBondContact OD1-N 2.89Å
306Y98.9Very high98.7Very high58 Ų5844.9 Ų44.923%0.22723%0.226CC..Hα-helixtrans-59.4-51.7173.6172.5-103.8000111.1L302 N303 A309 R310 K380 L383 D384L302-Y306 VanDerWaalsContact O-CB 3.29Å; L302-Y306 WeakPolarHBondContact O-CB 3.37Å; L302-Y306 PolarHBondContact O-N 2.89Å; N303-Y306 PolarHBondContact O-N 3.49Å; Y306-A309 PolarHBondContact O-N 3.08Å; Y306-R310 HydrophobicContact CE1-CG 4.16Å; Y306-R310 HydrophobicContact CE2-CG 4.07Å; Y306-R310 WeakPolarHBondContact O-CG 3.19Å; Y306-R310 PolarHBondContact O-N 2.82Å; Y306-K380 HydrophobicContact CE1-CG 4.39Å; Y306-K380 WeakPolarHBondContact OH-CE 3.14Å; Y306-K380 PolarHBondContact OH-NZ 3.14Å; Y306-L383 HydrophobicContact CD1-CB 4.16Å; Y306-L383 HydrophobicContact CD1-CD1 3.97Å; Y306-L383 HydrophobicContact CE1-CB 4.13Å; Y306-D384 WeakPolarHBondContact CE1-OD1 3.29Å; Y306-D384 PolarHBondContact OH-OD1 3.01Å; Y306-D384 PolarHBondContact OH-OD2 2.96Å
307M98.9Very high98.6Very high0 Ų045.4 Ų45.40%023%0.228CC..Hα-helixtrans-64.1-44.3178.1-68.5-176.374.700111.9N303 A304 A309 R310 L311 F330 I372 P374 L383 M386N303-M307 WeakPolarHBondContact O-CG 3.21Å; N303-M307 PolarHBondContact O-N 3.09Å; A304-M307 PolarHBondContact O-N 2.69Å; M307-A309 VanDerWaalsContact C-N 3.27Å; M307-A309 PolarHBondContact O-N 2.85Å; M307-R310 PolarHBondContact O-N 3.45Å; M307-L311 WeakPolarHBondContact O-CB 3.2Å; M307-L311 VanDerWaalsContact O-CG 3.31Å; M307-L311 WeakPolarHBondContact O-CG 3.21Å; M307-L311 PolarHBondContact O-N 2.74Å; M307-F330 HydrophobicContact CB-CE1 3.76Å; M307-F330 HydrophobicContact CB-CZ 3.69Å; M307-I372 HydrophobicContact CE-CG2 3.88Å; M307-I372 HydrophobicContact SD-CG2 4.16Å; M307-P374 HydrophobicContact SD-CB 3.67Å; M307-P374 HydrophobicContact SD-CG 3.89Å; M307-L383 HydrophobicContact CG-CB 4.1Å; M307-L383 HydrophobicContact CG-CD2 4.43Å; M307-L383 HydrophobicContact SD-CB 4.38Å; M307-L383 HydrophobicContact SD-CD2 3.84Å; M307-M386 HydrophobicContact CE-CB 4.16Å; M307-M386 HydrophobicContact CE-CE 3.92Å; M307-M386 HydrophobicContact CE-CG 3.91Å; M307-M386 HydrophobicContact CE-SD 3.47Å; M307-M386 WeakPolarHBondContact CE-SD 3.2Å
308S98.6Very high98.6Very high0 Ų046.2 Ų46.20%023%0.232CC..Hα-helixtrans-56.8-40.4175.5175.70000112.2A304 N305 S312 R320A304-S308 VanDerWaalsContact O-CB 3.26Å; A304-S308 WeakPolarHBondContact O-CB 3.46Å; A304-S308 PolarHBondContact O-N 3.48Å; N305-S308 PolarHBondContact O-N 3.08Å; S308-S312 WeakPolarHBondContact O-CB 3.35Å; S308-S312 PolarHBondContact O-N 2.84Å; S308-S312 VanDerWaalsContact O-N 3.14Å; S308-R320 PolarHBondContact OG-NH1 3.03Å; S308-R320 PolarHBondContact OG-NH2 3.02Å
309A98.6Very high98.5Very high62 Ų6243.4 Ų43.451%0.51222%0.219SC..Hα-helixtrans-71-39.5176.900000112.6N305 Y306 M307 L311 S312N305-A309 VanDerWaalsContact O-CB 3.3Å; N305-A309 WeakPolarHBondContact O-CB 3.32Å; N305-A309 PolarHBondContact O-N 3.36Å; Y306-A309 PolarHBondContact O-N 3.08Å; M307-A309 VanDerWaalsContact C-N 3.27Å; M307-A309 PolarHBondContact O-N 2.85Å; A309-L311 VanDerWaalsContact C-N 3.32Å; A309-L311 PolarHBondContact O-N 3.13Å; A309-S312 PolarHBondContact O-OG 3.04Å
310R98.6Very high98.4Very high84 Ų8445.4 Ų45.432%0.31722%0.222SC..Hα-helixtrans-64.8-35.7175.8-80.1-92.4-70.3177.1-1.5112.5Y306 M307 D384 C387 E388Y306-R310 HydrophobicContact CE1-CG 4.16Å; Y306-R310 HydrophobicContact CE2-CG 4.07Å; Y306-R310 WeakPolarHBondContact O-CG 3.19Å; Y306-R310 PolarHBondContact O-N 2.82Å; M307-R310 PolarHBondContact O-N 3.45Å; R310-D384 IonicContact CZ-OD1 3.63Å; R310-D384 IonicContact NE-OD1 3.59Å; R310-D384 IonicContact NH2-OD1 2.87Å; R310-D384 PolarHBondContact NH2-OD1 2.92Å; R310-C387 HydrophobicContact CB-CB 4.42Å; R310-E388 IonicContact NH2-OE1 3.08Å
311L98.8Very high98.3Very high0 Ų046.4 Ų46.40%023%0.232CC..Hα-helixtrans-91.6-14.7-173.6-66.8170.2000114.2M307 A309 N313 H314 Y315 F330 L332 I372 C387 L390 I391M307-L311 WeakPolarHBondContact O-CB 3.2Å; M307-L311 VanDerWaalsContact O-CG 3.31Å; M307-L311 WeakPolarHBondContact O-CG 3.21Å; M307-L311 PolarHBondContact O-N 2.74Å; A309-L311 VanDerWaalsContact C-N 3.32Å; A309-L311 PolarHBondContact O-N 3.13Å; L311-N313 VanDerWaalsContact C-N 3.25Å; L311-N313 PolarHBondContact O-N 3.42Å; L311-N313 VanDerWaalsContact O-N 3.16Å; L311-H314 PolarHBondContact O-N 2.83Å; L311-Y315 HydrophobicContact CD2-CD2 4.35Å; L311-Y315 PolarHBondContact O-N 3.34Å; L311-F330 HydrophobicContact CD1-CE2 4.14Å; L311-F330 HydrophobicContact CD1-CZ 4.06Å; L311-L332 HydrophobicContact CB-CD2 4.44Å; L311-L332 HydrophobicContact CD1-CD1 4.24Å; L311-L332 HydrophobicContact CD1-CD2 4.47Å; L311-I372 HydrophobicContact CD1-CD1 4.3Å; L311-C387 HydrophobicContact CD2-CB 4.34Å; L311-L390 HydrophobicContact CD1-CD1 3.73Å; L311-L390 HydrophobicContact CD2-CB 3.8Å; L311-L390 HydrophobicContact CD2-CD1 4.16Å; L311-I391 HydrophobicContact CD2-CG1 4.09Å
312S97.9Very high98Very high49 Ų4948.9 Ų48.934%0.34325%0.253SS..THydrogen-bonded Turntrans-60.9-26.6-171.961.90000115.2S308 A309 H314S308-S312 WeakPolarHBondContact O-CB 3.35Å; S308-S312 PolarHBondContact O-N 2.84Å; S308-S312 VanDerWaalsContact O-N 3.14Å; A309-S312 PolarHBondContact O-OG 3.04Å; S312-H314 VanDerWaalsContact C-N 3.29Å
313N97.7Very high97.9Very high144 Ų14451.9 Ų51.977%0.7726%0.261SS*.THydrogen-bonded Turntrans-81.5-8.4176.2-68.5-30.7000113.3L311L311-N313 VanDerWaalsContact C-N 3.25Å; L311-N313 PolarHBondContact O-N 3.42Å; L311-N313 VanDerWaalsContact O-N 3.16Å
314H98.4Very high97.7Very high66 Ų6652.6 Ų52.631%0.30627%0.272SS..THydrogen-bonded Turntrans-117.4-35.4-173.5-62.3-73.8000112.2L311 S312 R394L311-H314 PolarHBondContact O-N 2.83Å; S312-H314 VanDerWaalsContact C-N 3.29Å; H314-R394 HydrophobicContact CB-CB 4.32Å; H314-R394 HydrophobicContact CB-CG 4.05Å; H314-R394 VanDerWaalsContact O-CD 3.22Å; H314-R394 WeakPolarHBondContact O-CD 3.47Å; H314-R394 PolarHBondContact O-NE 2.88Å
315Y98.5Very high97.7Very high4 Ų459 Ų592%0.01630%0.3CS..SBendtrans-130.3141.7178.9-64.8-91.9000109.2L311 I317 L332 F337 L390 R394L311-Y315 HydrophobicContact CD2-CD2 4.35Å; L311-Y315 PolarHBondContact O-N 3.34Å; Y315-I317 PolarHBondContact O-N 3.25Å; Y315-L332 HydrophobicContact CD1-CD1 4.31Å; Y315-L332 HydrophobicContact CD2-CD1 4.32Å; Y315-L332 HydrophobicContact CG-CD1 4.06Å; Y315-L332 HydrophobicContact CG-CD2 4.41Å; Y315-F337 AromaticContact CD1-CE2 3.77Å; Y315-F337 HydrophobicContact CD1-CE2 3.77Å; Y315-F337 AromaticContact CD1-CZ 3.84Å; Y315-F337 HydrophobicContact CD1-CZ 3.84Å; Y315-F337 AromaticContact CE1-CE2 3.64Å; Y315-F337 HydrophobicContact CE1-CE2 3.64Å; Y315-F337 AromaticContact CE1-CZ 3.91Å; Y315-F337 HydrophobicContact CE1-CZ 3.91Å; Y315-L390 HydrophobicContact CE2-CB 3.97Å; Y315-L390 WeakPolarHBondContact CE2-O 3.46Å; Y315-L390 PolarHBondContact OH-O 3.08Å; Y315-R394 HydrophobicContact CE2-CB 3.85Å; Y315-R394 PolarHBondContact OH-N 3.43Å
316R98Very high97.7Very high159 Ų15958.3 Ų58.360%0.630%0.296SS*.EExtended strand (participates in β ladder)trans-69.8121170.1175.1-178.9174-178-1.9108.8L318 D333R316-L318 PolarHBondContact O-N 3.14Å; R316-D333 HydrophobicContact CB-CB 4.19Å; R316-D333 HydrophobicContact CG-CB 4.34Å; R316-D333 PolarHBondContact O-N 3.3Å
317I98.3Very high97.7Very high16 Ų1655.5 Ų55.58%0.08229%0.285CS..EExtended strand (participates in β ladder)trans-74.6117.3166.2-51.5-47.7000107.1Y315 R320 V326 F330 L331 L332Y315-I317 PolarHBondContact O-N 3.25Å; I317-R320 HydrophobicContact CG2-CG 4.12Å; I317-V326 HydrophobicContact CG2-CG1 4.45Å; I317-F330 HydrophobicContact CD1-CD2 4.01Å; I317-F330 HydrophobicContact CD1-CE2 4.18Å; I317-F330 HydrophobicContact CG2-CB 4.49Å; I317-L331 WeakPolarHBondContact CA-O 3.46Å; I317-L332 HydrophobicContact CD1-CD2 3.29Å
318L97.8Very high97.7Very high17 Ų1755.5 Ų55.59%0.08929%0.285CS..  trans-66.4-44.7-165.9-176.958.2000112.3R316 L331 D333 V366R316-L318 PolarHBondContact O-N 3.14Å; L318-L331 HydrophobicContact CB-CB 3.84Å; L318-L331 HydrophobicContact CD2-CB 4.46Å; L318-L331 HydrophobicContact CD2-CD1 4.35Å; L318-L331 PolarHBondContact N-O 3.48Å; L318-D333 HydrophobicContact CB-CB 4.32Å; L318-D333 HydrophobicContact CD1-CB 4.21Å; L318-V366 HydrophobicContact CD2-CB 4.08Å; L318-V366 HydrophobicContact CD2-CG1 3.98Å; L318-V366 HydrophobicContact CD2-CG2 3.79Å
319F97.3Very high97.7Very high27 Ų2755.5 Ų55.512%0.11829%0.285CS..  trans-132.5146.8-178.6-59.8-61.6000111.1N141 F171 L173 L331 V366N141-F319 VanDerWaalsContact C-CD1 3.41Å; N141-F319 WeakPolarHBondContact O-CD1 3.46Å; F171-F319 HydrophobicContact CB-CD2 3.71Å; F171-F319 HydrophobicContact CB-CE2 4.32Å; F171-F319 HydrophobicContact CB-CG 4.4Å; F171-F319 HydrophobicContact CD1-CD2 4.18Å; F171-F319 AromaticContact CD1-CE2 3.99Å; F171-F319 HydrophobicContact CD1-CE2 3.99Å; F171-F319 AromaticContact CD2-CD2 3.56Å; F171-F319 HydrophobicContact CD2-CD2 3.56Å; F171-F319 AromaticContact CD2-CE2 3.38Å; F171-F319 HydrophobicContact CD2-CE2 3.38Å; F171-F319 HydrophobicContact CD2-CG 4.29Å; F171-F319 AromaticContact CD2-CZ 4Å; F171-F319 HydrophobicContact CD2-CZ 4Å; F171-F319 HydrophobicContact CE1-CE2 4.11Å; F171-F319 HydrophobicContact CE2-CD2 4.21Å; F171-F319 AromaticContact CE2-CE2 3.54Å; F171-F319 HydrophobicContact CE2-CE2 3.54Å; F171-F319 AromaticContact CE2-CZ 3.86Å; F171-F319 HydrophobicContact CE2-CZ 3.86Å; F171-F319 AromaticContact CG-CD2 3.56Å; F171-F319 HydrophobicContact CG-CD2 3.56Å; F171-F319 AromaticContact CG-CE2 3.64Å; F171-F319 HydrophobicContact CG-CE2 3.64Å; F171-F319 AromaticContact CZ-CE2 3.91Å; F171-F319 HydrophobicContact CZ-CE2 3.91Å; F171-F319 HydrophobicContact CZ-CZ 4.38Å; L173-F319 HydrophobicContact CD1-CB 3.69Å; L173-F319 HydrophobicContact CD1-CG 4.37Å; L173-F319 HydrophobicContact CD2-CB 4.22Å; L173-F319 HydrophobicContact CG-CB 4.17Å; F319-L331 HydrophobicContact CD2-CD1 4Å; F319-L331 HydrophobicContact CE2-CD1 4.35Å; F319-V366 HydrophobicContact CE2-CG2 4.3Å
320R96.9Very high97.7Very high86 Ų8652.6 Ų52.633%0.32526%0.261SS..  trans-144.3148.7174.8-67.6179176.4-82.9-1.4108.5S308 I317 G324 V326S308-R320 PolarHBondContact OG-NH1 3.03Å; S308-R320 PolarHBondContact OG-NH2 3.02Å; I317-R320 HydrophobicContact CG2-CG 4.12Å; R320-G324 WeakPolarHBondContact CD-O 3.15Å; R320-G324 PolarHBondContact NH1-O 3.28Å; R320-V326 HydrophobicContact CG-CG1 4.45Å
321G95.8Very high97.7Very high22 Ų2248.7 Ų48.723%0.22725%0.246CC..  trans-65.3170.6171.900000111.5K323 G324 F325G321-K323 PolarHBondContact O-N 3.09Å; G321-G324 PolarHBondContact O-N 3.06Å; G321-F325 PolarHBondContact N-O 3.32Å
322S93.9Very high97.7Very high86 Ų8648.7 Ų48.760%0.60125%0.246SC*.THydrogen-bonded Turntrans-51.8-33.9-176.566.40000114.2E176E176-S322 WeakPolarHBondContact OE1-CB 3.24Å; E176-S322 PolarHBondContact OE1-OG 2.75Å
323K95.5Very high97.7Very high173 Ų17347.2 Ų47.275%0.75224%0.235SC*.THydrogen-bonded Turntrans-91.78.7179.3-63.2-176.4-177.7175.50114G321 F325G321-K323 PolarHBondContact O-N 3.09Å; K323-F325 HydrophobicContact CB-CD2 3.94Å; K323-F325 HydrophobicContact CB-CE2 4.29Å; K323-F325 VanDerWaalsContact O-CD2 3.3Å; K323-F325 WeakPolarHBondContact O-CD2 3.46Å; K323-F325 WeakPolarHBondContact O-CE2 3.14Å
324G96.4Very high97.8Very high29 Ų2940.4 Ų40.430%0.29920%0.198SC..SBendtrans84.13.5177.600000115.7R320 G321R320-G324 WeakPolarHBondContact CD-O 3.15Å; R320-G324 PolarHBondContact NH1-O 3.28Å; G321-G324 PolarHBondContact O-N 3.06Å
325F98.3Very high97.8Very high135 Ų13542.5 Ų42.559%0.59220%0.204SC*.  trans-97.8157.6179.7-61.4-77000112.4N305 G321 K323N305-F325 WeakPolarHBondContact OD1-CA 3.32Å; N305-F325 WeakPolarHBondContact OD1-CB 3.12Å; N305-F325 WeakPolarHBondContact OD1-CD1 3.12Å; G321-F325 PolarHBondContact N-O 3.32Å; K323-F325 HydrophobicContact CB-CD2 3.94Å; K323-F325 HydrophobicContact CB-CE2 4.29Å; K323-F325 VanDerWaalsContact O-CD2 3.3Å; K323-F325 WeakPolarHBondContact O-CD2 3.46Å; K323-F325 WeakPolarHBondContact O-CE2 3.14Å
326V98.7Very high97.7Very high7 Ų748.7 Ų48.74%0.04223%0.232CC..  trans-105.9170.8170.7-60.20000109.8A304 N305 I317 R320 F330A304-V326 HydrophobicContact CB-CG2 4.26Å; N305-V326 HydrophobicContact CB-CG2 4.49Å; N305-V326 PolarHBondContact ND2-O 3.27Å; N305-V326 WeakPolarHBondContact OD1-CG2 3.25Å; N305-V326 PolarHBondContact OD1-N 2.89Å; I317-V326 HydrophobicContact CG2-CG1 4.45Å; R320-V326 HydrophobicContact CG-CG1 4.45Å; V326-F330 HydrophobicContact CB-CB 4.11Å; V326-F330 HydrophobicContact CG1-CB 3.81Å; V326-F330 HydrophobicContact CG2-CB 4.07Å; V326-F330 HydrophobicContact CG2-CD1 4.46Å
327A98.5Very high97.7Very high0 Ų041.7 Ų41.70%021%0.206CC..  trans-81.3-127173.700000111.2P168 G172 F174 A201 I301P168-A327 HydrophobicContact CB-CB 3.76Å; P168-A327 HydrophobicContact CG-CB 3.73Å; G172-A327 WeakPolarHBondContact O-CB 3.36Å; G172-A327 PolarHBondContact O-N 2.98Å; F174-A327 HydrophobicContact CD2-CB 3.88Å; F174-A327 HydrophobicContact CE2-CB 3.49Å; F174-A327 VanDerWaalsContact CE2-CB 3.49Å; F174-A327 HydrophobicContact CZ-CB 4.04Å; A201-A327 HydrophobicContact CB-CB 4.33Å; I301-A327 WeakPolarHBondContact CA-O 3.16Å
328H98.8Very high97.7Very high0 Ų046.9 Ų46.90%023%0.228CC..SBendtrans-86.9-6.7176.965-52.5000113.5N198 A201 A300 A304 E373N198-H328 PolarHBondContact ND2-CE1 2.7Å; N198-H328 PolarHBondContact OD1-NE2 3.46Å; A201-H328 HydrophobicContact CB-CB 3.85Å; A201-H328 WeakPolarHBondContact CB-ND1 3.27Å; A300-H328 HydrophobicContact CB-CB 4.43Å; A304-H328 VanDerWaalsContact CB-C 3.45Å; A304-H328 WeakPolarHBondContact CB-O 3.34Å; H328-E373 IonicContact CD2-OE1 3.62Å; H328-E373 PolarHBondContact CD2-OE1 2.85Å; H328-E373 VanDerWaalsContact CD2-OE1 3.3Å; H328-E373 IonicContact NE2-OE1 3.31Å
329E98.8Very high97.7Very high0 Ų054.7 Ų54.70%026%0.262CS..  trans-146164.6-179.268.5-171.3165.800111.7G24 S25 N198 I372 E373G24-E329 WeakPolarHBondContact CA-OE2 3.44Å; S25-E329 PolarHBondContact N-OE2 3.12Å; N198-E329 PolarHBondContact ND2-OE1 2.93Å; E329-I372 CarbonylContact C-O 3.49Å; E329-I372 WeakPolarHBondContact CA-O 3.47Å; E329-I372 WeakPolarHBondContact CB-O 3.41Å; E329-E373 HydrophobicContact CB-CB 3.82Å; E329-E373 HydrophobicContact CB-CG 4.24Å
330F98.8Very high97.7Very high1 Ų155.4 Ų55.40%0.00427%0.268CS..EExtended strand (participates in β ladder)trans-153.8159.6177.163.4-82.7000113.3A304 M307 L311 I317 V326 L332 M371 I372A304-F330 HydrophobicContact CB-CD1 4.29Å; A304-F330 WeakPolarHBondContact O-CD1 3.4Å; A304-F330 VanDerWaalsContact O-CE1 3.31Å; A304-F330 WeakPolarHBondContact O-CE1 3.45Å; M307-F330 HydrophobicContact CB-CE1 3.76Å; M307-F330 HydrophobicContact CB-CZ 3.69Å; L311-F330 HydrophobicContact CD1-CE2 4.14Å; L311-F330 HydrophobicContact CD1-CZ 4.06Å; I317-F330 HydrophobicContact CD1-CD2 4.01Å; I317-F330 HydrophobicContact CD1-CE2 4.18Å; I317-F330 HydrophobicContact CG2-CB 4.49Å; V326-F330 HydrophobicContact CB-CB 4.11Å; V326-F330 HydrophobicContact CG1-CB 3.81Å; V326-F330 HydrophobicContact CG2-CB 4.07Å; V326-F330 HydrophobicContact CG2-CD1 4.46Å; F330-L332 HydrophobicContact CD2-CD2 4.03Å; F330-L332 HydrophobicContact CE2-CD2 3.66Å; F330-L332 HydrophobicContact CE2-CG 4.11Å; F330-M371 WeakPolarHBondContact O-CA 3.11Å; F330-I372 HydrophobicContact CD1-CB 4.37Å; F330-I372 HydrophobicContact CE1-CB 3.88Å; F330-I372 HydrophobicContact CE1-CG2 3.67Å; F330-I372 HydrophobicContact CE2-CB 4.17Å; F330-I372 HydrophobicContact CE2-CD1 3.92Å; F330-I372 HydrophobicContact CZ-CB 3.77Å; F330-I372 HydrophobicContact CZ-CD1 3.87Å; F330-I372 HydrophobicContact CZ-CG1 4.38Å; F330-I372 HydrophobicContact CZ-CG2 3.69Å; F330-I372 PolarHBondContact N-O 3.44Å; F330-I372 PolarHBondContact O-N 3.02Å
331L98.7Very high97.7Very high1 Ų151.3 Ų51.31%0.00525%0.253CS..EExtended strand (participates in β ladder)trans-103.6127.3-179.3-78.5158.9000112.3F171 I317 L318 F319 P365 V366 C369 L370 M371F171-L331 HydrophobicContact CB-CD1 4.16Å; F171-L331 HydrophobicContact CD1-CD1 3.71Å; F171-L331 HydrophobicContact CG-CD1 4.19Å; I317-L331 WeakPolarHBondContact CA-O 3.46Å; L318-L331 HydrophobicContact CB-CB 3.84Å; L318-L331 HydrophobicContact CD2-CB 4.46Å; L318-L331 HydrophobicContact CD2-CD1 4.35Å; L318-L331 PolarHBondContact N-O 3.48Å; F319-L331 HydrophobicContact CD2-CD1 4Å; F319-L331 HydrophobicContact CE2-CD1 4.35Å; L331-P365 HydrophobicContact CD1-CG 4.31Å; L331-V366 HydrophobicContact CD1-CG2 4.26Å; L331-C369 HydrophobicContact CD2-CB 3.94Å; L331-L370 CarbonylContact C-O 3.11Å; L331-L370 WeakPolarHBondContact CA-O 3.21Å; L331-M371 HydrophobicContact CD2-CB 3.7Å; L331-M371 HydrophobicContact CD2-CG 4.04Å; L331-M371 HydrophobicContact CD2-SD 4.32Å; L331-M371 HydrophobicContact CG-CB 4.37Å; L331-M371 HydrophobicContact CG-CG 4.2Å; L331-M371 HydrophobicContact CG-SD 4.44Å
332L98.7Very high97.8Very high0 Ų051.7 Ų51.70%026%0.257CS..EExtended strand (participates in β ladder)trans-91.9118.9164.4-61.1-172.6000110.1L311 Y315 I317 F330 C334 C369 L370 I372 L390L311-L332 HydrophobicContact CB-CD2 4.44Å; L311-L332 HydrophobicContact CD1-CD1 4.24Å; L311-L332 HydrophobicContact CD1-CD2 4.47Å; Y315-L332 HydrophobicContact CD1-CD1 4.31Å; Y315-L332 HydrophobicContact CD2-CD1 4.32Å; Y315-L332 HydrophobicContact CG-CD1 4.06Å; Y315-L332 HydrophobicContact CG-CD2 4.41Å; I317-L332 HydrophobicContact CD1-CD2 3.29Å; F330-L332 HydrophobicContact CD2-CD2 4.03Å; F330-L332 HydrophobicContact CE2-CD2 3.66Å; F330-L332 HydrophobicContact CE2-CG 4.11Å; L332-C334 PolarHBondContact O-N 3.32Å; L332-C369 VanDerWaalsContact O-CA 3.32Å; L332-C369 WeakPolarHBondContact O-CA 3.45Å; L332-C369 WeakPolarHBondContact O-CB 3.25Å; L332-L370 HydrophobicContact CB-CB 4.34Å; L332-L370 PolarHBondContact N-O 2.47Å; L332-L370 PolarHBondContact O-N 3.5Å; L332-L370 VanDerWaalsContact O-N 3.08Å; L332-I372 HydrophobicContact CD1-CD1 3.56Å; L332-I372 HydrophobicContact CG-CD1 3.88Å; L332-L390 HydrophobicContact CD1-CD1 4.06Å
333D98.4Very high98.1Very high18 Ų1847.6 Ų47.610%0.09623%0.228CC..EExtended strand (participates in β ladder)trans-77.3108.4173.9-168.5-4.8000110.6R316 L318 R335R316-D333 HydrophobicContact CB-CB 4.19Å; R316-D333 HydrophobicContact CG-CB 4.34Å; R316-D333 PolarHBondContact O-N 3.3Å; L318-D333 HydrophobicContact CB-CB 4.32Å; L318-D333 HydrophobicContact CD1-CB 4.21Å; D333-R335 WeakPolarHBondContact OD1-CB 3.48Å; D333-R335 WeakPolarHBondContact OD1-CG 3.3Å; D333-R335 IonicContact OD1-CZ 2.61Å; D333-R335 PolarHBondContact OD1-N 2.9Å; D333-R335 VanDerWaalsContact OD1-N 3.11Å; D333-R335 IonicContact OD1-NE 3.7Å; D333-R335 PolarHBondContact OD1-NE 2.76Å; D333-R335 IonicContact OD1-NH2 2.83Å; D333-R335 IonicContact OD2-CZ 2.67Å; D333-R335 IonicContact OD2-NE 2.73Å; D333-R335 PolarHBondContact OD2-NE 3.46Å; D333-R335 IonicContact OD2-NH2 3.77Å; D333-R335 PolarHBondContact OD2-NH2 3.35Å
334C98.5Very high98.2Very high1 Ų143.1 Ų43.11%0.00721%0.21CC..  trans-1065-179.8-55.70000112.7L332 E336 F337 V345 I348 G368L332-C334 PolarHBondContact O-N 3.32Å; C334-E336 VanDerWaalsContact C-N 3.33Å; C334-E336 PolarHBondContact O-N 3.48Å; C334-F337 HydrophobicContact CB-CD2 3.82Å; C334-F337 HydrophobicContact CB-CE2 3.98Å; C334-F337 VanDerWaalsContact O-CD2 3.31Å; C334-F337 WeakPolarHBondContact O-CD2 3.44Å; C334-F337 PolarHBondContact O-N 2.99Å; C334-V345 HydrophobicContact CB-CB 4.41Å; C334-V345 HydrophobicContact CB-CG2 4.24Å; C334-I348 HydrophobicContact CB-CD1 3.92Å; C334-G368 CarbonylContact C-O 3.55Å; C334-G368 VanDerWaalsContact CB-O 3.31Å; C334-G368 WeakPolarHBondContact CB-O 3.5Å; C334-G368 PolarHBondContact N-O 3.15Å
335R98.4Very high98.3Very high111 Ų11142.3 Ų42.342%0.41920%0.199SC..THydrogen-bonded Turntrans-68.1-31.7-170.5-64.9173.6-64.8-177.9-0.4113D333 F337 K338 S367 G368D333-R335 WeakPolarHBondContact OD1-CB 3.48Å; D333-R335 WeakPolarHBondContact OD1-CG 3.3Å; D333-R335 IonicContact OD1-CZ 2.61Å; D333-R335 PolarHBondContact OD1-N 2.9Å; D333-R335 VanDerWaalsContact OD1-N 3.11Å; D333-R335 IonicContact OD1-NE 3.7Å; D333-R335 PolarHBondContact OD1-NE 2.76Å; D333-R335 IonicContact OD1-NH2 2.83Å; D333-R335 IonicContact OD2-CZ 2.67Å; D333-R335 IonicContact OD2-NE 2.73Å; D333-R335 PolarHBondContact OD2-NE 3.46Å; D333-R335 IonicContact OD2-NH2 3.77Å; D333-R335 PolarHBondContact OD2-NH2 3.35Å; R335-F337 VanDerWaalsContact C-N 3.26Å; R335-F337 PolarHBondContact O-N 3.04Å; R335-K338 PolarHBondContact O-N 3.28Å; R335-S367 WeakPolarHBondContact CD-O 3.27Å; R335-G368 PolarHBondContact N-O 2.78Å
336E97.7Very high98.3Very high133 Ų13337.8 Ų37.862%0.62118%0.182SC*.Hα-helixtrans-64.9-32.1-178.2-165.5176.114300112.3C334 K338 K339 T340C334-E336 VanDerWaalsContact C-N 3.33Å; C334-E336 PolarHBondContact O-N 3.48Å; E336-K338 PolarHBondContact O-N 2.83Å; E336-K338 VanDerWaalsContact O-N 3.11Å; E336-K339 WeakPolarHBondContact O-CA 3.5Å; E336-K339 WeakPolarHBondContact O-CB 3.45Å; E336-K339 PolarHBondContact O-N 3.36Å; E336-T340 HydrophobicContact CG-CG2 4.01Å; E336-T340 PolarHBondContact O-N 3.33Å; E336-T340 VanDerWaalsContact O-N 3.08Å; E336-T340 PolarHBondContact O-OG1 3.38Å
337F98.4Very high98.3Very high12 Ų1237.5 Ų37.55%0.05318%0.181CC..Hα-helixtrans-62.7-23.4-177.8-52.8-43.9000113.5Y315 C334 R335 K339 T340 A341 G342 I343 I348 I397Y315-F337 AromaticContact CD1-CE2 3.77Å; Y315-F337 HydrophobicContact CD1-CE2 3.77Å; Y315-F337 AromaticContact CD1-CZ 3.84Å; Y315-F337 HydrophobicContact CD1-CZ 3.84Å; Y315-F337 AromaticContact CE1-CE2 3.64Å; Y315-F337 HydrophobicContact CE1-CE2 3.64Å; Y315-F337 AromaticContact CE1-CZ 3.91Å; Y315-F337 HydrophobicContact CE1-CZ 3.91Å; C334-F337 HydrophobicContact CB-CD2 3.82Å; C334-F337 HydrophobicContact CB-CE2 3.98Å; C334-F337 VanDerWaalsContact O-CD2 3.31Å; C334-F337 WeakPolarHBondContact O-CD2 3.44Å; C334-F337 PolarHBondContact O-N 2.99Å; R335-F337 VanDerWaalsContact C-N 3.26Å; R335-F337 PolarHBondContact O-N 3.04Å; F337-K339 VanDerWaalsContact C-N 3.3Å; F337-K339 PolarHBondContact O-N 2.61Å; F337-T340 WeakPolarHBondContact CA-OG1 3.38Å; F337-A341 CarbonylContact O-C 3.51Å; F337-A341 WeakPolarHBondContact O-CA 3.41Å; F337-A341 PolarHBondContact O-N 2.89Å; F337-G342 PolarHBondContact O-N 3.29Å; F337-I343 CarbonylContact C-O 3.35Å; F337-I343 HydrophobicContact CB-CB 4.13Å; F337-I343 HydrophobicContact CB-CG2 4.36Å; F337-I343 PolarHBondContact O-N 2.91Å; F337-I348 HydrophobicContact CD2-CD1 3.95Å; F337-I348 HydrophobicContact CE2-CD1 4.23Å; F337-I397 HydrophobicContact CB-CG2 4.34Å; F337-I397 HydrophobicContact CD1-CD1 4.44Å; F337-I397 HydrophobicContact CD1-CG2 3.76Å; F337-I397 HydrophobicContact CD2-CD1 3.9Å; F337-I397 HydrophobicContact CE1-CG2 4.31Å; F337-I397 HydrophobicContact CE2-CD1 4.1Å; F337-I397 HydrophobicContact CG-CD1 4.08Å; F337-I397 HydrophobicContact CG-CG2 4.11Å; F337-I397 HydrophobicContact CZ-CD1 4.46Å
338K97.5Very high98.3Very high125 Ų12537.5 Ų37.554%0.54318%0.181SC..Hα-helixtrans-64.2-38.5172.6-178.7167.5-179.2153.80111R335 E336 G342 I343 E344R335-K338 PolarHBondContact O-N 3.28Å; E336-K338 PolarHBondContact O-N 2.83Å; E336-K338 VanDerWaalsContact O-N 3.11Å; K338-G342 VanDerWaalsContact O-CA 3.3Å; K338-G342 WeakPolarHBondContact O-CA 3.18Å; K338-G342 PolarHBondContact O-N 2.91Å; K338-I343 VanDerWaalsContact CA-O 3.23Å; K338-I343 WeakPolarHBondContact CA-O 3.47Å; K338-I343 PolarHBondContact N-O 2.87Å; K338-E344 HydrophobicContact CD-CG 4.31Å; K338-E344 WeakPolarHBondContact CE-OE1 3.4Å; K338-E344 IonicContact NZ-OE1 3.83Å; K338-E344 PolarHBondContact NZ-OE1 3.24Å
339K97.1Very high98.3Very high182 Ų18237.8 Ų37.879%0.79118%0.183SC*.Hα-helixtrans-78.8-43.6179.2-63.3178.1-178.6177.60111.6E336 F337E336-K339 WeakPolarHBondContact O-CA 3.5Å; E336-K339 WeakPolarHBondContact O-CB 3.45Å; E336-K339 PolarHBondContact O-N 3.36Å; F337-K339 VanDerWaalsContact C-N 3.3Å; F337-K339 PolarHBondContact O-N 2.61Å
340T97.6Very high98.3Very high41 Ų4139.5 Ų39.525%0.25219%0.191SC..Hα-helixtrans-83.7-35.6-171.7610000113.3E336 F337 E401 R407E336-T340 HydrophobicContact CG-CG2 4.01Å; E336-T340 PolarHBondContact O-N 3.33Å; E336-T340 VanDerWaalsContact O-N 3.08Å; E336-T340 PolarHBondContact O-OG1 3.38Å; F337-T340 WeakPolarHBondContact CA-OG1 3.38Å; T340-E401 WeakPolarHBondContact CB-OE1 3.43Å; T340-E401 PolarHBondContact OG1-OE1 3.01Å; T340-R407 PolarHBondContact O-NH2 2.92Å
341A98Very high98.2Very high0 Ų039.5 Ų39.50%019%0.19CC..THydrogen-bonded Turntrans-125.2-7.7-174.200000114F337 I343 I397 I400 E401F337-A341 CarbonylContact O-C 3.51Å; F337-A341 WeakPolarHBondContact O-CA 3.41Å; F337-A341 PolarHBondContact O-N 2.89Å; A341-I343 HydrophobicContact CB-CB 4.18Å; A341-I343 HydrophobicContact CB-CG1 3.72Å; A341-I343 PolarHBondContact O-N 2.78Å; A341-I397 HydrophobicContact CB-CG2 3.89Å; A341-I400 HydrophobicContact CB-CB 4.19Å; A341-I400 HydrophobicContact CB-CG2 3.97Å; A341-I400 WeakPolarHBondContact O-CG2 3.04Å; A341-E401 HydrophobicContact CB-CG 3.89Å
342G97.8Very high98.2Very high31 Ų3139.5 Ų39.532%0.3219%0.19SC..SBendtrans69.617.8-169.100000113F337 K338 K413F337-G342 PolarHBondContact O-N 3.29Å; K338-G342 VanDerWaalsContact O-CA 3.3Å; K338-G342 WeakPolarHBondContact O-CA 3.18Å; K338-G342 PolarHBondContact O-N 2.91Å; G342-K413 WeakPolarHBondContact O-CE 3.47Å; G342-K413 PolarHBondContact O-NZ 2.88Å
343I98.6Very high98.2Very high0 Ų042.3 Ų42.30%020%0.204CC..  trans-95.8130-177.4-66.5-59.9000109.8F337 K338 A341 D347 I348 I397 I400 L412 K413F337-I343 CarbonylContact C-O 3.35Å; F337-I343 HydrophobicContact CB-CB 4.13Å; F337-I343 HydrophobicContact CB-CG2 4.36Å; F337-I343 PolarHBondContact O-N 2.91Å; K338-I343 VanDerWaalsContact CA-O 3.23Å; K338-I343 WeakPolarHBondContact CA-O 3.47Å; K338-I343 PolarHBondContact N-O 2.87Å; A341-I343 HydrophobicContact CB-CB 4.18Å; A341-I343 HydrophobicContact CB-CG1 3.72Å; A341-I343 PolarHBondContact O-N 2.78Å; I343-D347 HydrophobicContact CG2-CB 4.03Å; I343-I348 HydrophobicContact CG2-CG1 4.21Å; I343-I397 HydrophobicContact CG1-CG1 4.48Å; I343-I397 HydrophobicContact CG2-CD1 4.2Å; I343-I397 HydrophobicContact CG2-CG1 4.18Å; I343-I400 HydrophobicContact CD1-CD1 3.84Å; I343-I400 HydrophobicContact CG1-CD1 4.01Å; I343-L412 HydrophobicContact CD1-CB 3.75Å; I343-L412 HydrophobicContact CD1-CD1 3.95Å; I343-L412 HydrophobicContact CD1-CG 4.46Å; I343-L412 HydrophobicContact CG1-CD1 4.18Å; I343-K413 HydrophobicContact CD1-CD 4.38Å; I343-K413 HydrophobicContact CD1-CG 4.38Å
344E98.2Very high98.2Very high79 Ų7941.4 Ų41.437%0.36920%0.2SC..  trans-103162.7176.2-61.2-165.3149.500110.9K338 V346 D347 I348K338-E344 HydrophobicContact CD-CG 4.31Å; K338-E344 WeakPolarHBondContact CE-OE1 3.4Å; K338-E344 IonicContact NZ-OE1 3.83Å; K338-E344 PolarHBondContact NZ-OE1 3.24Å; E344-V346 HydrophobicContact CB-CG1 4.14Å; E344-V346 PolarHBondContact O-N 2.86Å; E344-V346 VanDerWaalsContact O-N 3.16Å; E344-D347 PolarHBondContact N-OD2 2.78Å; E344-D347 VanDerWaalsContact O-CB 3.3Å; E344-D347 WeakPolarHBondContact O-CB 3.41Å; E344-D347 PolarHBondContact O-N 2.86Å; E344-I348 PolarHBondContact O-N 2.81Å
345V98.3Very high98.2Very high11 Ų1141.6 Ų41.67%0.06720%0.2CC..Hα-helixtrans-57.7-32.1179.671.60000112.5C334 D347 I348 A349 V362 S363 L370C334-V345 HydrophobicContact CB-CB 4.41Å; C334-V345 HydrophobicContact CB-CG2 4.24Å; V345-D347 VanDerWaalsContact C-N 3.29Å; V345-D347 PolarHBondContact O-N 3.49Å; V345-I348 WeakPolarHBondContact O-CB 3.3Å; V345-I348 PolarHBondContact O-N 3Å; V345-A349 PolarHBondContact O-N 2.9Å; V345-V362 HydrophobicContact CB-CG1 4.4Å; V345-V362 HydrophobicContact CG1-CG1 3.62Å; V345-V362 HydrophobicContact CG2-CG1 3.99Å; V345-S363 WeakPolarHBondContact CG1-OG 3.29Å; V345-L370 HydrophobicContact CG2-CD2 3.49Å; V345-L370 VanDerWaalsContact CG2-CD2 3.49Å; V345-L370 HydrophobicContact CG2-CG 3.62Å
346V98.2Very high98.1Very high40 Ų4037.2 Ų37.224%0.24219%0.189CC..Hα-helixtrans-65.1-32.5176.369.70000111.9E344 I348 A349 K350E344-V346 HydrophobicContact CB-CG1 4.14Å; E344-V346 PolarHBondContact O-N 2.86Å; E344-V346 VanDerWaalsContact O-N 3.16Å; V346-I348 VanDerWaalsContact C-N 3.34Å; V346-A349 PolarHBondContact O-N 2.89Å; V346-K350 HydrophobicContact CG2-CG 4.3Å; V346-K350 VanDerWaalsContact O-CG 3.31Å; V346-K350 WeakPolarHBondContact O-CG 3.05Å; V346-K350 PolarHBondContact O-N 3.31Å
347D98.7Very high98.1Very high1 Ų131.1 Ų31.11%0.00516%0.161CC..Hα-helixtrans-65.1-41.8176-62.6-48.7000111I343 E344 V345 R351 L412 K413 R453I343-D347 HydrophobicContact CG2-CB 4.03Å; E344-D347 PolarHBondContact N-OD2 2.78Å; E344-D347 VanDerWaalsContact O-CB 3.3Å; E344-D347 WeakPolarHBondContact O-CB 3.41Å; E344-D347 PolarHBondContact O-N 2.86Å; V345-D347 VanDerWaalsContact C-N 3.29Å; V345-D347 PolarHBondContact O-N 3.49Å; D347-R351 WeakPolarHBondContact O-CB 3.31Å; D347-R351 PolarHBondContact O-N 3.18Å; D347-L412 HydrophobicContact CB-CB 4.31Å; D347-K413 IonicContact OD1-NZ 3.89Å; D347-K413 IonicContact OD2-NZ 3.97Å; D347-K413 PolarHBondContact OD2-NZ 3.31Å; D347-R453 IonicContact OD1-CZ 2.82Å; D347-R453 VanDerWaalsContact OD1-CZ 3.25Å; D347-R453 IonicContact OD1-NH1 3.75Å; D347-R453 PolarHBondContact OD1-NH1 2.81Å; D347-R453 IonicContact OD1-NH2 3.29Å; D347-R453 PolarHBondContact OD1-NH2 3.08Å
348I98.8Very high98.1Very high1 Ų134.1 Ų34.11%0.00518%0.175CC..Hα-helixtrans-63.6-46.4175-58.7170.9000109.8C334 F337 I343 E344 V345 V346 K350 R351 L352 L370 L390 I393 I397C334-I348 HydrophobicContact CB-CD1 3.92Å; F337-I348 HydrophobicContact CD2-CD1 3.95Å; F337-I348 HydrophobicContact CE2-CD1 4.23Å; I343-I348 HydrophobicContact CG2-CG1 4.21Å; E344-I348 PolarHBondContact O-N 2.81Å; V345-I348 WeakPolarHBondContact O-CB 3.3Å; V345-I348 PolarHBondContact O-N 3Å; V346-I348 VanDerWaalsContact C-N 3.34Å; I348-K350 PolarHBondContact O-N 2.79Å; I348-R351 PolarHBondContact O-N 3.35Å; I348-L352 WeakPolarHBondContact O-CG 3.38Å; I348-L352 PolarHBondContact O-N 3.4Å; I348-L370 HydrophobicContact CB-CD1 4.46Å; I348-L370 HydrophobicContact CG2-CD1 3.72Å; I348-L390 HydrophobicContact CG2-CD2 4.3Å; I348-I393 HydrophobicContact CG1-CG2 4.2Å; I348-I393 HydrophobicContact CG2-CD1 4.47Å; I348-I393 HydrophobicContact CG2-CG2 4.07Å; I348-I397 HydrophobicContact CD1-CD1 4.01Å; I348-I397 HydrophobicContact CG1-CD1 4.18Å
349A98.7Very high98.1Very high5 Ų528.5 Ų28.54%0.04115%0.152CC..Hα-helixtrans-59.2-45.5178.900000112.4V345 V346 A359 V362V345-A349 PolarHBondContact O-N 2.9Å; V346-A349 PolarHBondContact O-N 2.89Å; A349-A359 HydrophobicContact CB-CB 3.6Å; A349-V362 HydrophobicContact CB-CG2 3.81Å
350K98.5Very high98.2Very high37 Ų3720 Ų2016%0.16112%0.115CC..Hα-helixtrans-70.1-36.5176.7-61.7-39.4176-177.60111.9V346 I348 L352 M353 A415V346-K350 HydrophobicContact CG2-CG 4.3Å; V346-K350 VanDerWaalsContact O-CG 3.31Å; V346-K350 WeakPolarHBondContact O-CG 3.05Å; V346-K350 PolarHBondContact O-N 3.31Å; I348-K350 PolarHBondContact O-N 2.79Å; K350-L352 VanDerWaalsContact C-N 3.33Å; K350-L352 PolarHBondContact O-N 3.4Å; K350-M353 HydrophobicContact CD-CE 3.64Å; K350-M353 HydrophobicContact CD-SD 4.14Å; K350-M353 VanDerWaalsContact O-CB 3.23Å; K350-M353 WeakPolarHBondContact O-CB 3.21Å; K350-M353 WeakPolarHBondContact O-CG 3.14Å; K350-M353 PolarHBondContact O-N 2.8Å; K350-A415 HydrophobicContact CB-CB 4.08Å
351R98.5Very high98.3Very high0 Ų019 Ų190%011%0.109CC..Hα-helixtrans-67-33179.1-174.960.9175.11516112.8D347 I348 M353 D354 Y355 I393 E396 L412 A415 L435D347-R351 WeakPolarHBondContact O-CB 3.31Å; D347-R351 PolarHBondContact O-N 3.18Å; I348-R351 PolarHBondContact O-N 3.35Å; R351-M353 PolarHBondContact O-N 3.1Å; R351-D354 WeakPolarHBondContact CD-OD2 3.19Å; R351-D354 IonicContact CZ-OD2 3.62Å; R351-D354 IonicContact NH1-OD2 2.73Å; R351-D354 PolarHBondContact NH1-OD2 3.27Å; R351-D354 WeakPolarHBondContact O-CB 3.39Å; R351-D354 PolarHBondContact O-N 3.26Å; R351-Y355 HydrophobicContact CG-CD2 4.45Å; R351-Y355 HydrophobicContact CG-CE2 4.15Å; R351-Y355 WeakPolarHBondContact O-CD2 3.48Å; R351-I393 HydrophobicContact CB-CD1 4.22Å; R351-I393 HydrophobicContact CB-CG1 4.5Å; R351-I393 HydrophobicContact CG-CD1 3.99Å; R351-I393 HydrophobicContact CG-CG1 3.83Å; R351-E396 WeakPolarHBondContact CG-OE2 3.38Å; R351-E396 IonicContact CZ-OE1 3.78Å; R351-E396 IonicContact CZ-OE2 2.79Å; R351-E396 IonicContact NE-OE1 3.86Å; R351-E396 PolarHBondContact NE-OE1 2.82Å; R351-E396 IonicContact NE-OE2 3.5Å; R351-E396 PolarHBondContact NE-OE2 2.87Å; R351-E396 IonicContact NH2-OE1 3.84Å; R351-E396 PolarHBondContact NH2-OE1 2.9Å; R351-E396 IonicContact NH2-OE2 3.75Å; R351-L412 HydrophobicContact CB-CD2 3.62Å; R351-L412 HydrophobicContact CG-CD2 3.66Å; R351-L412 HydrophobicContact CG-CG 4.4Å; R351-A415 HydrophobicContact CB-CB 4.01Å; R351-L435 PolarHBondContact NH1-O 2.89Å; R351-L435 PolarHBondContact NH2-O 2.84Å
352L98.3Very high98.3Very high1 Ų121.7 Ų21.71%0.00513%0.125CC..Hα-helixtrans-56.9-30.3172.5-78.5168.3000113.1I348 K350 D354 Y355 G356 F357 A389 L390 I393I348-L352 WeakPolarHBondContact O-CG 3.38Å; I348-L352 PolarHBondContact O-N 3.4Å; K350-L352 VanDerWaalsContact C-N 3.33Å; K350-L352 PolarHBondContact O-N 3.4Å; L352-D354 PolarHBondContact O-N 3.47Å; L352-Y355 CarbonylContact O-C 3.49Å; L352-Y355 WeakPolarHBondContact O-CA 3.47Å; L352-Y355 WeakPolarHBondContact O-CB 3.21Å; L352-Y355 PolarHBondContact O-N 3.45Å; L352-G356 PolarHBondContact O-N 2.91Å; L352-G356 VanDerWaalsContact O-N 3.15Å; L352-F357 CarbonylContact C-O 3.36Å; L352-F357 HydrophobicContact CB-CB 4.33Å; L352-F357 PolarHBondContact O-N 3.21Å; L352-A389 HydrophobicContact CD2-CB 4.1Å; L352-L390 HydrophobicContact CD1-CD2 4.21Å; L352-L390 HydrophobicContact CD2-CD2 4.13Å; L352-L390 HydrophobicContact CD2-CG 4.34Å; L352-I393 HydrophobicContact CD2-CD1 3.69Å; L352-I393 HydrophobicContact CG-CD1 3.77Å
353M98.1Very high98.3Very high59 Ų5922.6 Ų22.629%0.29113%0.127SC..Hα-helixtrans-61.3-34.9174.7-54.6173.9176.400111.6K350 R351 Y355 G356 F357 P416 P449K350-M353 HydrophobicContact CD-CE 3.64Å; K350-M353 HydrophobicContact CD-SD 4.14Å; K350-M353 VanDerWaalsContact O-CB 3.23Å; K350-M353 WeakPolarHBondContact O-CB 3.21Å; K350-M353 WeakPolarHBondContact O-CG 3.14Å; K350-M353 PolarHBondContact O-N 2.8Å; R351-M353 PolarHBondContact O-N 3.1Å; M353-Y355 VanDerWaalsContact C-N 3.27Å; M353-Y355 PolarHBondContact O-N 2.92Å; M353-G356 PolarHBondContact O-N 3.37Å; M353-G356 VanDerWaalsContact O-N 3.09Å; M353-F357 WeakPolarHBondContact CA-O 3.26Å; M353-F357 PolarHBondContact N-O 3.09Å; M353-P416 HydrophobicContact CB-CB 4.1Å; M353-P416 HydrophobicContact SD-CB 3.77Å; M353-P416 HydrophobicContact SD-CG 3.89Å; M353-P449 HydrophobicContact CB-CG 4.22Å
354D98.1Very high98.2Very high0 Ų025.4 Ų25.40%014%0.139CC..Hα-helixtrans-69.2-29.9176.7-61.9-34.2000112R351 L352 G356 A415 H417 P439 K446R351-D354 WeakPolarHBondContact CD-OD2 3.19Å; R351-D354 IonicContact CZ-OD2 3.62Å; R351-D354 IonicContact NH1-OD2 2.73Å; R351-D354 PolarHBondContact NH1-OD2 3.27Å; R351-D354 WeakPolarHBondContact O-CB 3.39Å; R351-D354 PolarHBondContact O-N 3.26Å; L352-D354 PolarHBondContact O-N 3.47Å; D354-G356 PolarHBondContact O-N 3.47Å; D354-A415 WeakPolarHBondContact OD2-CB 3.32Å; D354-H417 IonicContact OD1-CG 3.95Å; D354-H417 PolarHBondContact OD1-N 3.46Å; D354-H417 IonicContact OD1-ND1 3.46Å; D354-H417 PolarHBondContact OD1-ND1 2.88Å; D354-H417 IonicContact OD2-CE1 3.44Å; D354-H417 PolarHBondContact OD2-CE1 3.12Å; D354-H417 IonicContact OD2-CG 3.88Å; D354-H417 IonicContact OD2-ND1 2.72Å; D354-H417 PolarHBondContact OD2-ND1 2.89Å; D354-P439 HydrophobicContact CB-CG 4.48Å; D354-P439 WeakPolarHBondContact O-CD 3Å; D354-K446 PolarHBondContact O-NZ 3.24Å
355Y97.8Very high98.1Very high5 Ų523 Ų232%0.0213%0.131CC..THydrogen-bonded Turntrans-79.4-4.2172.7-75.3-95.8000113.4R351 L352 M353 A389 N392 I393 E396 P439 A440 W442R351-Y355 HydrophobicContact CG-CD2 4.45Å; R351-Y355 HydrophobicContact CG-CE2 4.15Å; R351-Y355 WeakPolarHBondContact O-CD2 3.48Å; L352-Y355 CarbonylContact O-C 3.49Å; L352-Y355 WeakPolarHBondContact O-CA 3.47Å; L352-Y355 WeakPolarHBondContact O-CB 3.21Å; L352-Y355 PolarHBondContact O-N 3.45Å; M353-Y355 VanDerWaalsContact C-N 3.27Å; M353-Y355 PolarHBondContact O-N 2.92Å; Y355-A389 HydrophobicContact CD1-CB 3.65Å; Y355-A389 HydrophobicContact CE1-CB 4.39Å; Y355-A389 HydrophobicContact CG-CB 3.8Å; Y355-N392 HydrophobicContact CE1-CB 3.94Å; Y355-N392 VanDerWaalsContact OH-CB 3.31Å; Y355-N392 WeakPolarHBondContact OH-CB 3.48Å; Y355-I393 HydrophobicContact CD2-CD1 4.16Å; Y355-I393 HydrophobicContact CD2-CG1 4.24Å; Y355-I393 HydrophobicContact CE2-CD1 4.18Å; Y355-I393 HydrophobicContact CE2-CG1 3.74Å; Y355-E396 PolarHBondContact OH-OE1 2.85Å; Y355-P439 HydrophobicContact CD1-CB 4.26Å; Y355-P439 HydrophobicContact CD1-CG 3.7Å; Y355-P439 HydrophobicContact CD2-CB 4.44Å; Y355-P439 HydrophobicContact CD2-CG 3.64Å; Y355-P439 HydrophobicContact CE1-CB 3.68Å; Y355-P439 HydrophobicContact CE1-CG 3.63Å; Y355-P439 HydrophobicContact CE2-CB 3.88Å; Y355-P439 HydrophobicContact CE2-CG 3.57Å; Y355-P439 HydrophobicContact CG-CG 3.71Å; Y355-P439 VanDerWaalsContact CZ-CB 3.47Å; Y355-A440 HydrophobicContact CD1-CB 4.08Å; Y355-A440 HydrophobicContact CE1-CB 4.21Å; Y355-W442 HydrophobicContact CD1-CZ2 4.25Å; Y355-W442 PolarHBondContact O-NE1 3.16Å
356G96.7Very high98Very high18 Ų1823.5 Ų23.519%0.18613%0.134CC..THydrogen-bonded Turntrans90.217.8178.200000114.8S19 L352 M353 D354S19-G356 PolarHBondContact OG-O 2.94Å; L352-G356 PolarHBondContact O-N 2.91Å; L352-G356 VanDerWaalsContact O-N 3.15Å; M353-G356 PolarHBondContact O-N 3.37Å; M353-G356 VanDerWaalsContact O-N 3.09Å; D354-G356 PolarHBondContact O-N 3.47Å
357F97.9Very high98Very high5 Ų526 Ų262%0.02215%0.153CC..  trans-114.5143.2-179-71.1-72.5000112.5L352 M353 R385 M386 A389 W442L352-F357 CarbonylContact C-O 3.36Å; L352-F357 HydrophobicContact CB-CB 4.33Å; L352-F357 PolarHBondContact O-N 3.21Å; M353-F357 WeakPolarHBondContact CA-O 3.26Å; M353-F357 PolarHBondContact N-O 3.09Å; F357-R385 HydrophobicContact CE2-CB 4.28Å; F357-R385 HydrophobicContact CZ-CB 3.75Å; F357-M386 HydrophobicContact CE1-CB 4.06Å; F357-M386 HydrophobicContact CE2-CB 4.34Å; F357-M386 HydrophobicContact CZ-CB 3.93Å; F357-A389 HydrophobicContact CD2-CB 4.05Å; F357-A389 HydrophobicContact CE2-CB 4.02Å; F357-W442 AromaticContact CE2-NE1 3.94Å
358H98.5Very high97.9Very high75 Ų7526.7 Ų26.735%0.34716%0.16SC..  trans-67.7142.9156.6-167.5-73.7000109.1V14 I21V14-H358 HydrophobicContact CG1-CB 4.06Å; I21-H358 HydrophobicContact CB-CB 4.34Å; I21-H358 HydrophobicContact CD1-CB 4.39Å; I21-H358 HydrophobicContact CG1-CB 3.88Å; I21-H358 HydrophobicContact CG2-CB 3.95Å
359A98.6Very high97.9Very high8 Ų826.6 Ų26.67%0.06616%0.16CC..  trans-64.7149.7176.900000111.5L23 A349 V362L23-A359 WeakPolarHBondContact CD2-O 3.33Å; A349-A359 HydrophobicContact CB-CB 3.6Å; A359-V362 HydrophobicContact CB-CG2 4.18Å
360P98.8Very high97.9Very high2 Ų226.4 Ų26.41%0.01316%0.158CC..  trans-60.6176.7161.9-14.927.5000111.2P22 V362 L370 M371 I372 M386P22-P360 HydrophobicContact CG-CB 4.25Å; P22-P360 HydrophobicContact CG-CG 3.92Å; P360-V362 VanDerWaalsContact O-CG2 3.23Å; P360-V362 WeakPolarHBondContact O-CG2 3.37Å; P360-V362 PolarHBondContact O-N 3.31Å; P360-L370 HydrophobicContact CB-CB 4.39Å; P360-L370 HydrophobicContact CG-CB 4.47Å; P360-M371 WeakPolarHBondContact CB-O 3.16Å; P360-I372 HydrophobicContact CB-CG1 3.71Å; P360-I372 HydrophobicContact CG-CD1 4.25Å; P360-I372 HydrophobicContact CG-CG1 3.62Å; P360-M386 HydrophobicContact CG-CE 3.74Å
361T98.7Very high97.9Very high22 Ų2224.6 Ų24.614%0.13515%0.15CC..EExtended strand (participates in β ladder)trans-62.6126.6176.8-67.60000109.4G24 F364 L370 M371G24-T361 PolarHBondContact N-OG1 3.49Å; G24-T361 VanDerWaalsContact N-OG1 3.1Å; G24-T361 PolarHBondContact O-OG1 2.53Å; T361-F364 HydrophobicContact CG2-CB 4.16Å; T361-F364 HydrophobicContact CG2-CD1 4.27Å; T361-L370 CarbonylContact O-C 3.53Å; T361-L370 WeakPolarHBondContact O-CA 3.4Å; T361-M371 HydrophobicContact CG2-CE 4.29Å; T361-M371 PolarHBondContact N-O 3.4Å; T361-M371 PolarHBondContact O-N 2.79Å
362V98.4Very high97.9Very high56 Ų5624.6 Ų24.634%0.33915%0.15SC..EExtended strand (participates in β ladder)trans-105.4131.4-170.4-173.70000110.2V345 A349 A359 P360 F364 L370V345-V362 HydrophobicContact CB-CG1 4.4Å; V345-V362 HydrophobicContact CG1-CG1 3.62Å; V345-V362 HydrophobicContact CG2-CG1 3.99Å; A349-V362 HydrophobicContact CB-CG2 3.81Å; A359-V362 HydrophobicContact CB-CG2 4.18Å; P360-V362 VanDerWaalsContact O-CG2 3.23Å; P360-V362 WeakPolarHBondContact O-CG2 3.37Å; P360-V362 PolarHBondContact O-N 3.31Å; V362-F364 PolarHBondContact O-N 3.02Å; V362-F364 VanDerWaalsContact O-N 3.12Å; V362-L370 HydrophobicContact CB-CD2 4.39Å; V362-L370 HydrophobicContact CG1-CD2 4.4Å; V362-L370 HydrophobicContact CG2-CD2 3.87Å
363S97.6Very high98Very high50 Ų5024.6 Ų24.635%0.3515%0.15SC..SBendtrans6019172.9-67.60000115.9V345 V366 G368 C369V345-S363 WeakPolarHBondContact CG1-OG 3.29Å; S363-V366 CarbonylContact C-O 3.53Å; S363-V366 WeakPolarHBondContact CA-O 3.24Å; S363-G368 PolarHBondContact OG-N 3.31Å; S363-C369 PolarHBondContact N-O 3.41Å
364F97.3Very high98Very high58 Ų5822 Ų2225%0.25414%0.137SC..SBendtrans-138.4141.2172.6176.5-90.8000109.7H119 T361 V362 V366 M371H119-F364 HydrophobicContact CB-CZ 4.4Å; H119-F364 AromaticContact CD2-CE1 3.81Å; H119-F364 AromaticContact CD2-CZ 3.79Å; T361-F364 HydrophobicContact CG2-CB 4.16Å; T361-F364 HydrophobicContact CG2-CD1 4.27Å; V362-F364 PolarHBondContact O-N 3.02Å; V362-F364 VanDerWaalsContact O-N 3.12Å; F364-V366 VanDerWaalsContact C-N 3.28Å; F364-M371 HydrophobicContact CD1-CE 4.36Å
365P95.6Very high98Very high30 Ų3022 Ų2220%0.19514%0.138CC..SBendcis-74.4-8.4-8.231-38.6000114.3T170 F171 L331 M371T170-P365 WeakPolarHBondContact O-CG 3.33Å; F171-P365 HydrophobicContact CD1-CB 4.22Å; F171-P365 HydrophobicContact CD1-CG 3.32Å; F171-P365 HydrophobicContact CE1-CB 3.8Å; F171-P365 HydrophobicContact CE1-CG 3.37Å; L331-P365 HydrophobicContact CD1-CG 4.31Å; P365-M371 WeakPolarHBondContact CD-SD 3.37Å; P365-M371 HydrophobicContact CG-SD 4.38Å
366V96.8Very high98.1Very high21 Ų2123.2 Ų23.213%0.12714%0.143CC..SBendtrans-109.9122177.9-174.30000110.5F171 L318 F319 L331 S363 F364 G368 C369F171-V366 HydrophobicContact CD1-CG2 4.38Å; F171-V366 HydrophobicContact CE1-CG2 3.73Å; F171-V366 HydrophobicContact CZ-CG2 4.24Å; L318-V366 HydrophobicContact CD2-CB 4.08Å; L318-V366 HydrophobicContact CD2-CG1 3.98Å; L318-V366 HydrophobicContact CD2-CG2 3.79Å; F319-V366 HydrophobicContact CE2-CG2 4.3Å; L331-V366 HydrophobicContact CD1-CG2 4.26Å; S363-V366 CarbonylContact C-O 3.53Å; S363-V366 WeakPolarHBondContact CA-O 3.24Å; F364-V366 VanDerWaalsContact C-N 3.28Å; V366-G368 PolarHBondContact O-N 3.45Å; V366-C369 HydrophobicContact CB-CB 4.16Å; V366-C369 VanDerWaalsContact CG1-SG 3.56Å; V366-C369 WeakPolarHBondContact O-CB 3.49Å; V366-C369 PolarHBondContact O-N 3.24Å; V366-C369 VanDerWaalsContact O-N 3.15Å
367S97Very high98.2Very high92 Ų9224.8 Ų24.864%0.64315%0.151SC*.THydrogen-bonded Turntrans-58.8132.4177.9-1770000111.6R335 C369R335-S367 WeakPolarHBondContact CD-O 3.27Å; S367-C369 VanDerWaalsContact C-N 3.34Å
368G97.7Very high98.2Very high15 Ų1526.2 Ų26.216%0.15516%0.158CC..THydrogen-bonded Turntrans79.410.7-177.600000115.1C334 R335 S363 V366C334-G368 CarbonylContact C-O 3.55Å; C334-G368 VanDerWaalsContact CB-O 3.31Å; C334-G368 WeakPolarHBondContact CB-O 3.5Å; C334-G368 PolarHBondContact N-O 3.15Å; R335-G368 PolarHBondContact N-O 2.78Å; S363-G368 PolarHBondContact OG-N 3.31Å; V366-G368 PolarHBondContact O-N 3.45Å
369C98.4Very high98.2Very high0 Ų026.9 Ų26.90%016%0.164CC..EExtended strand (participates in β ladder)trans-111.2162.6174.5-59.90000112.2L331 L332 S363 V366 S367L331-C369 HydrophobicContact CD2-CB 3.94Å; L332-C369 VanDerWaalsContact O-CA 3.32Å; L332-C369 WeakPolarHBondContact O-CA 3.45Å; L332-C369 WeakPolarHBondContact O-CB 3.25Å; S363-C369 PolarHBondContact N-O 3.41Å; V366-C369 HydrophobicContact CB-CB 4.16Å; V366-C369 VanDerWaalsContact CG1-SG 3.56Å; V366-C369 WeakPolarHBondContact O-CB 3.49Å; V366-C369 PolarHBondContact O-N 3.24Å; V366-C369 VanDerWaalsContact O-N 3.15Å; S367-C369 VanDerWaalsContact C-N 3.34Å
370L98.8Very high98.2Very high0 Ų032.1 Ų32.10%019%0.186CC..EExtended strand (participates in β ladder)trans-109.6131.7168.1-65.4174.5000109.4L331 L332 V345 I348 P360 T361 V362 L390L331-L370 CarbonylContact C-O 3.11Å; L331-L370 WeakPolarHBondContact CA-O 3.21Å; L332-L370 HydrophobicContact CB-CB 4.34Å; L332-L370 PolarHBondContact N-O 2.47Å; L332-L370 PolarHBondContact O-N 3.5Å; L332-L370 VanDerWaalsContact O-N 3.08Å; V345-L370 HydrophobicContact CG2-CD2 3.49Å; V345-L370 VanDerWaalsContact CG2-CD2 3.49Å; V345-L370 HydrophobicContact CG2-CG 3.62Å; I348-L370 HydrophobicContact CB-CD1 4.46Å; I348-L370 HydrophobicContact CG2-CD1 3.72Å; P360-L370 HydrophobicContact CB-CB 4.39Å; P360-L370 HydrophobicContact CG-CB 4.47Å; T361-L370 CarbonylContact O-C 3.53Å; T361-L370 WeakPolarHBondContact O-CA 3.4Å; V362-L370 HydrophobicContact CB-CD2 4.39Å; V362-L370 HydrophobicContact CG1-CD2 4.4Å; V362-L370 HydrophobicContact CG2-CD2 3.87Å; L370-L390 HydrophobicContact CD1-CD2 4.48Å
371M98.8Very high98.2Very high0 Ų038.2 Ų38.20%021%0.214CC..EExtended strand (participates in β ladder)trans-107.5120.1173.8-166.4166.573.800110.5G24 F330 L331 P360 T361 F364 P365G24-M371 PolarHBondContact N-O 3.43Å; G24-M371 VanDerWaalsContact N-O 3.13Å; G24-M371 WeakPolarHBondContact O-CE 3.48Å; F330-M371 WeakPolarHBondContact O-CA 3.11Å; L331-M371 HydrophobicContact CD2-CB 3.7Å; L331-M371 HydrophobicContact CD2-CG 4.04Å; L331-M371 HydrophobicContact CD2-SD 4.32Å; L331-M371 HydrophobicContact CG-CB 4.37Å; L331-M371 HydrophobicContact CG-CG 4.2Å; L331-M371 HydrophobicContact CG-SD 4.44Å; P360-M371 WeakPolarHBondContact CB-O 3.16Å; T361-M371 HydrophobicContact CG2-CE 4.29Å; T361-M371 PolarHBondContact N-O 3.4Å; T361-M371 PolarHBondContact O-N 2.79Å; F364-M371 HydrophobicContact CD1-CE 4.36Å; P365-M371 WeakPolarHBondContact CD-SD 3.37Å; P365-M371 HydrophobicContact CG-SD 4.38Å
372I98.9Very high98.2Very high0 Ų037.7 Ų37.70%021%0.21CC..EExtended strand (participates in β ladder)trans-110.4122.6-171.2-64.8175.2000109.6P22 M307 L311 E329 F330 L332 P360 M386 L390P22-I372 HydrophobicContact CB-CG2 4.26Å; M307-I372 HydrophobicContact CE-CG2 3.88Å; M307-I372 HydrophobicContact SD-CG2 4.16Å; L311-I372 HydrophobicContact CD1-CD1 4.3Å; E329-I372 CarbonylContact C-O 3.49Å; E329-I372 WeakPolarHBondContact CA-O 3.47Å; E329-I372 WeakPolarHBondContact CB-O 3.41Å; F330-I372 HydrophobicContact CD1-CB 4.37Å; F330-I372 HydrophobicContact CE1-CB 3.88Å; F330-I372 HydrophobicContact CE1-CG2 3.67Å; F330-I372 HydrophobicContact CE2-CB 4.17Å; F330-I372 HydrophobicContact CE2-CD1 3.92Å; F330-I372 HydrophobicContact CZ-CB 3.77Å; F330-I372 HydrophobicContact CZ-CD1 3.87Å; F330-I372 HydrophobicContact CZ-CG1 4.38Å; F330-I372 HydrophobicContact CZ-CG2 3.69Å; F330-I372 PolarHBondContact N-O 3.44Å; F330-I372 PolarHBondContact O-N 3.02Å; L332-I372 HydrophobicContact CD1-CD1 3.56Å; L332-I372 HydrophobicContact CG-CD1 3.88Å; P360-I372 HydrophobicContact CB-CG1 3.71Å; P360-I372 HydrophobicContact CG-CD1 4.25Å; P360-I372 HydrophobicContact CG-CG1 3.62Å; I372-M386 HydrophobicContact CD1-CE 3.87Å; I372-M386 HydrophobicContact CG1-CE 4.02Å; I372-M386 HydrophobicContact CG2-CE 3.95Å; I372-L390 HydrophobicContact CD1-CD1 3.81Å
373E98.9Very high98.2Very high0 Ų035.2 Ų35.20%020%0.195CC..  trans-127.9105.5170.9-178.4-172.6175.300109.2P22 S25 C26 T27 H328 E329 T375P22-E373 CarbonylContact C-O 3.56Å; P22-E373 VanDerWaalsContact CA-O 3.32Å; P22-E373 WeakPolarHBondContact CA-O 3.48Å; P22-E373 PolarHBondContact O-N 2.86Å; S25-E373 PolarHBondContact N-OE2 3.19Å; S25-E373 VanDerWaalsContact N-OE2 3.14Å; C26-E373 PolarHBondContact N-OE2 3.19Å; C26-E373 VanDerWaalsContact N-OE2 3.12Å; T27-E373 VanDerWaalsContact CA-CD 3.48Å; T27-E373 WeakPolarHBondContact CA-OE1 3.4Å; T27-E373 WeakPolarHBondContact CB-OE1 3.49Å; T27-E373 WeakPolarHBondContact CG2-OE1 3.3Å; T27-E373 VanDerWaalsContact N-CD 3.33Å; T27-E373 PolarHBondContact N-OE1 2.9Å; T27-E373 PolarHBondContact N-OE2 3.4Å; T27-E373 PolarHBondContact OG1-OE1 3.31Å; H328-E373 IonicContact CD2-OE1 3.62Å; H328-E373 PolarHBondContact CD2-OE1 2.85Å; H328-E373 VanDerWaalsContact CD2-OE1 3.3Å; H328-E373 IonicContact NE2-OE1 3.31Å; E329-E373 HydrophobicContact CB-CB 3.82Å; E329-E373 HydrophobicContact CB-CG 4.24Å; E373-T375 HydrophobicContact CG-CG2 4.41Å
374P98.8Very high98.3Very high5 Ų534.2 Ų34.23%0.03219%0.185CC..  trans-80.8-20.4-17728.6-32.6000114.4N303 A304 M307 E378 L383N303-P374 HydrophobicContact CB-CB 4.22Å; N303-P374 HydrophobicContact CB-CG 3.7Å; A304-P374 HydrophobicContact CB-CG 4.25Å; M307-P374 HydrophobicContact SD-CB 3.67Å; M307-P374 HydrophobicContact SD-CG 3.89Å; P374-E378 VanDerWaalsContact O-CG 3.26Å; P374-E378 WeakPolarHBondContact O-CG 3.46Å; P374-L383 HydrophobicContact CB-CD2 3.56Å
375T98.8Very high98.3Very high1 Ų135.2 Ų35.21%0.00619%0.187CC..  trans61.6174.8-168.883.80000114.1T27 K29 N303 E373 S377T27-T375 HydrophobicContact CG2-CG2 3.95Å; K29-T375 HydrophobicContact CB-CG2 4.2Å; N303-T375 PolarHBondContact ND2-O 3.04Å; E373-T375 HydrophobicContact CG-CG2 4.41Å; T375-S377 VanDerWaalsContact C-N 3.33Å; T375-S377 PolarHBondContact OG1-N 3.31Å
376E98.8Very high98.4Very high30 Ų3034 Ų3414%0.1418%0.179CC..SBendtrans-80.8-11.6177.173.5-83.6-162.700114.4K29 N200 A296 V299 A300K29-E376 VanDerWaalsContact CE-OE1 3.23Å; K29-E376 WeakPolarHBondContact CE-OE1 3.34Å; K29-E376 IonicContact NZ-OE1 3.98Å; K29-E376 PolarHBondContact NZ-OE1 3.11Å; K29-E376 IonicContact NZ-OE2 2.92Å; N200-E376 PolarHBondContact ND2-OE2 3.01Å; A296-E376 HydrophobicContact CB-CB 4.47Å; A296-E376 HydrophobicContact CB-CG 3.78Å; A296-E376 WeakPolarHBondContact O-CB 3.38Å; V299-E376 HydrophobicContact CB-CB 3.96Å; V299-E376 HydrophobicContact CG1-CB 4.03Å; A300-E376 HydrophobicContact CB-CB 4.19Å
377S98.8Very high98.5Very high50 Ų5033 Ų3335%0.3517%0.173SC..SBendtrans-84.8-18-171.9-63.80000113.3L30 T375L30-S377 WeakPolarHBondContact CB-OG 3.42Å; L30-S377 PolarHBondContact N-OG 3.27Å; T375-S377 VanDerWaalsContact C-N 3.33Å; T375-S377 PolarHBondContact OG1-N 3.31Å
378E98.7Very high98.6Very high36 Ų3632.3 Ų32.317%0.16816%0.16CC..SBendtrans-88.6131.9-179.5-58.7-59.5166.600111.3A20 N303 P374 E382 L383A20-E378 WeakPolarHBondContact CA-OE1 3.43Å; A20-E378 VanDerWaalsContact CB-CD 3.49Å; A20-E378 HydrophobicContact CB-CG 3.81Å; N303-E378 PolarHBondContact ND2-O 2.9Å; N303-E378 VanDerWaalsContact ND2-O 3.15Å; P374-E378 VanDerWaalsContact O-CG 3.26Å; P374-E378 WeakPolarHBondContact O-CG 3.46Å; E378-E382 HydrophobicContact CB-CB 4.38Å; E378-L383 HydrophobicContact CB-CD2 3.89Å
379D98.6Very high98.7Very high88 Ų8831.6 Ų31.647%0.47115%0.152SC..  trans-77.9164.2178.880.311.3000111.9Q381 E382 L383D379-Q381 PolarHBondContact O-N 2.79Å; D379-Q381 VanDerWaalsContact O-N 3.11Å; D379-Q381 WeakPolarHBondContact OD1-CA 3.02Å; D379-Q381 WeakPolarHBondContact OD1-CB 3.4Å; D379-Q381 PolarHBondContact OD1-N 2.89Å; D379-E382 PolarHBondContact O-N 2.99Å; D379-E382 VanDerWaalsContact O-N 3.11Å; D379-E382 PolarHBondContact OD1-N 2.73Å; D379-L383 WeakPolarHBondContact O-CG 3.37Å; D379-L383 PolarHBondContact O-N 3.36Å; D379-L383 VanDerWaalsContact O-N 3.14Å
380K98.8Very high98.7Very high119 Ų11931.6 Ų31.652%0.51715%0.152SC..Hα-helixtrans-56.2-32-179.7-173.6179.5-177.4-62.30112.9Y306 L383 D384Y306-K380 HydrophobicContact CE1-CG 4.39Å; Y306-K380 WeakPolarHBondContact OH-CE 3.14Å; Y306-K380 PolarHBondContact OH-NZ 3.14Å; K380-L383 PolarHBondContact O-N 3.27Å; K380-D384 IonicContact NZ-OD1 3.03Å; K380-D384 IonicContact NZ-OD2 3.08Å; K380-D384 PolarHBondContact NZ-OD2 3.31Å; K380-D384 WeakPolarHBondContact O-CB 3.47Å; K380-D384 VanDerWaalsContact O-CG 3.31Å; K380-D384 PolarHBondContact O-N 3.27Å
381Q98.3Very high98.7Very high130 Ų13032.5 Ų32.561%0.60716%0.157SC*.Hα-helixtrans-69.8-39.2-178.8-59.7-178.810.200111D379 D384 R385D379-Q381 PolarHBondContact O-N 2.79Å; D379-Q381 VanDerWaalsContact O-N 3.11Å; D379-Q381 WeakPolarHBondContact OD1-CA 3.02Å; D379-Q381 WeakPolarHBondContact OD1-CB 3.4Å; D379-Q381 PolarHBondContact OD1-N 2.89Å; Q381-D384 PolarHBondContact O-N 2.93Å; Q381-R385 WeakPolarHBondContact O-CG 3.45Å; Q381-R385 PolarHBondContact O-N 2.97Å
382E98.4Very high98.7Very high10 Ų1034.3 Ų34.35%0.04717%0.167CC..Hα-helixtrans-62.9-46.8171.4-110.8-47.8-132.100111.7S19 A20 E378 D379 D384 R385 M386S19-E382 VanDerWaalsContact CA-OE1 3.3Å; S19-E382 WeakPolarHBondContact CA-OE1 3.5Å; S19-E382 WeakPolarHBondContact CB-OE1 3Å; A20-E382 HydrophobicContact CB-CG 4.16Å; A20-E382 WeakPolarHBondContact CB-OE1 3.2Å; A20-E382 PolarHBondContact N-OE1 3.24Å; E378-E382 HydrophobicContact CB-CB 4.38Å; D379-E382 PolarHBondContact O-N 2.99Å; D379-E382 VanDerWaalsContact O-N 3.11Å; D379-E382 PolarHBondContact OD1-N 2.73Å; E382-D384 PolarHBondContact O-N 3.18Å; E382-R385 VanDerWaalsContact CG-NH2 3.31Å; E382-R385 PolarHBondContact O-N 3.2Å; E382-R385 VanDerWaalsContact O-N 3.17Å; E382-R385 IonicContact OE1-NH2 3.93Å; E382-R385 IonicContact OE2-CZ 2.87Å; E382-R385 IonicContact OE2-NE 2.9Å; E382-R385 PolarHBondContact OE2-NE 3.33Å; E382-R385 IonicContact OE2-NH2 3.25Å; E382-R385 PolarHBondContact OE2-NH2 2.93Å; E382-M386 PolarHBondContact O-N 2.8Å
383L98.8Very high98.7Very high5 Ų534.3 Ų34.33%0.02617%0.167CC..Hα-helixtrans-58.8-39.3178.9-53.8-175.1000111N303 Y306 M307 P374 E378 D379 K380 C387N303-L383 HydrophobicContact CB-CD1 3.7Å; N303-L383 VanDerWaalsContact CG-CD1 3.48Å; Y306-L383 HydrophobicContact CD1-CB 4.16Å; Y306-L383 HydrophobicContact CD1-CD1 3.97Å; Y306-L383 HydrophobicContact CE1-CB 4.13Å; M307-L383 HydrophobicContact CG-CB 4.1Å; M307-L383 HydrophobicContact CG-CD2 4.43Å; M307-L383 HydrophobicContact SD-CB 4.38Å; M307-L383 HydrophobicContact SD-CD2 3.84Å; P374-L383 HydrophobicContact CB-CD2 3.56Å; E378-L383 HydrophobicContact CB-CD2 3.89Å; D379-L383 WeakPolarHBondContact O-CG 3.37Å; D379-L383 PolarHBondContact O-N 3.36Å; D379-L383 VanDerWaalsContact O-N 3.14Å; K380-L383 PolarHBondContact O-N 3.27Å; L383-C387 WeakPolarHBondContact O-CB 3.3Å; L383-C387 PolarHBondContact O-N 3.3Å; L383-C387 PolarHBondContact O-SG 2.9Å
384D98.8Very high98.7Very high29 Ų2937 Ų3716%0.15518%0.177CC..Hα-helixtrans-66.4-45.1176.8-79.4-30.2000112.3Y306 R310 K380 Q381 E382 M386 C387 E388Y306-D384 WeakPolarHBondContact CE1-OD1 3.29Å; Y306-D384 PolarHBondContact OH-OD1 3.01Å; Y306-D384 PolarHBondContact OH-OD2 2.96Å; R310-D384 IonicContact CZ-OD1 3.63Å; R310-D384 IonicContact NE-OD1 3.59Å; R310-D384 IonicContact NH2-OD1 2.87Å; R310-D384 PolarHBondContact NH2-OD1 2.92Å; K380-D384 IonicContact NZ-OD1 3.03Å; K380-D384 IonicContact NZ-OD2 3.08Å; K380-D384 PolarHBondContact NZ-OD2 3.31Å; K380-D384 WeakPolarHBondContact O-CB 3.47Å; K380-D384 VanDerWaalsContact O-CG 3.31Å; K380-D384 PolarHBondContact O-N 3.27Å; Q381-D384 PolarHBondContact O-N 2.93Å; E382-D384 PolarHBondContact O-N 3.18Å; D384-M386 VanDerWaalsContact C-N 3.32Å; D384-M386 PolarHBondContact O-N 3.43Å; D384-C387 PolarHBondContact O-N 2.85Å; D384-E388 WeakPolarHBondContact O-CB 3.44Å; D384-E388 WeakPolarHBondContact O-CG 3.47Å; D384-E388 PolarHBondContact O-N 3.38Å
385R98.2Very high98.7Very high78 Ų7842.3 Ų42.329%0.29420%0.2SC..Hα-helixtrans-59-43.8176.1-73.6-168.8-63.9-95.712.8111.5F357 Q381 E382 E388 A389 W442F357-R385 HydrophobicContact CE2-CB 4.28Å; F357-R385 HydrophobicContact CZ-CB 3.75Å; Q381-R385 WeakPolarHBondContact O-CG 3.45Å; Q381-R385 PolarHBondContact O-N 2.97Å; E382-R385 VanDerWaalsContact CG-NH2 3.31Å; E382-R385 PolarHBondContact O-N 3.2Å; E382-R385 VanDerWaalsContact O-N 3.17Å; E382-R385 IonicContact OE1-NH2 3.93Å; E382-R385 IonicContact OE2-CZ 2.87Å; E382-R385 IonicContact OE2-NE 2.9Å; E382-R385 PolarHBondContact OE2-NE 3.33Å; E382-R385 IonicContact OE2-NH2 3.25Å; E382-R385 PolarHBondContact OE2-NH2 2.93Å; R385-E388 PolarHBondContact O-N 3.18Å; R385-A389 WeakPolarHBondContact O-CB 3.4Å; R385-A389 PolarHBondContact O-N 2.83Å; R385-W442 HydrophobicContact CB-CD2 4.31Å; R385-W442 HydrophobicContact CB-CZ2 4.46Å; R385-W442 HydrophobicContact CG-CD2 3.95Å; R385-W442 HydrophobicContact CG-CE3 4.11Å; R385-W442 HydrophobicContact CG-CG 4.17Å; R385-W442 WeakPolarHBondContact O-CZ2 3.48Å
386M98.2Very high98.6Very high4 Ų443.3 Ų43.32%0.0220%0.204CC..Hα-helixtrans-67.2-44.1177.5-175.6-179.9165.200111.8P22 M307 F357 P360 I372 E382 D384 E388 A389 L390P22-M386 HydrophobicContact CB-CE 3.57Å; P22-M386 HydrophobicContact CB-SD 3.5Å; P22-M386 VanDerWaalsContact CB-SD 3.5Å; P22-M386 HydrophobicContact CG-CE 3.26Å; P22-M386 HydrophobicContact CG-SD 3.43Å; P22-M386 WeakPolarHBondContact CG-SD 3.17Å; M307-M386 HydrophobicContact CE-CB 4.16Å; M307-M386 HydrophobicContact CE-CE 3.92Å; M307-M386 HydrophobicContact CE-CG 3.91Å; M307-M386 HydrophobicContact CE-SD 3.47Å; M307-M386 WeakPolarHBondContact CE-SD 3.2Å; F357-M386 HydrophobicContact CE1-CB 4.06Å; F357-M386 HydrophobicContact CE2-CB 4.34Å; F357-M386 HydrophobicContact CZ-CB 3.93Å; P360-M386 HydrophobicContact CG-CE 3.74Å; I372-M386 HydrophobicContact CD1-CE 3.87Å; I372-M386 HydrophobicContact CG1-CE 4.02Å; I372-M386 HydrophobicContact CG2-CE 3.95Å; E382-M386 PolarHBondContact O-N 2.8Å; D384-M386 VanDerWaalsContact C-N 3.32Å; D384-M386 PolarHBondContact O-N 3.43Å; M386-E388 VanDerWaalsContact C-N 3.32Å; M386-E388 PolarHBondContact O-N 2.89Å; M386-A389 PolarHBondContact O-N 3.34Å; M386-L390 HydrophobicContact CE-CD1 4.07Å; M386-L390 PolarHBondContact O-N 3.43Å; M386-L390 VanDerWaalsContact O-N 3.09Å
387C98.8Very high98.6Very high0 Ų041.9 Ų41.90%020%0.198CC..Hα-helixtrans-58.7-45.2174.8-72.60000111.4R310 L311 L383 D384 L390 I391R310-C387 HydrophobicContact CB-CB 4.42Å; L311-C387 HydrophobicContact CD2-CB 4.34Å; L383-C387 WeakPolarHBondContact O-CB 3.3Å; L383-C387 PolarHBondContact O-N 3.3Å; L383-C387 PolarHBondContact O-SG 2.9Å; D384-C387 PolarHBondContact O-N 2.85Å; C387-L390 PolarHBondContact O-N 2.96Å; C387-I391 WeakPolarHBondContact O-CB 3.39Å; C387-I391 WeakPolarHBondContact O-CG1 3.47Å; C387-I391 PolarHBondContact O-N 3.08Å
388E98.6Very high98.6Very high78 Ų7841 Ų4136%0.36419%0.194SC..Hα-helixtrans-67.4-37.3179.7-74.2-179.8-176.800112.6R310 D384 R385 M386 I391 N392 W442R310-E388 IonicContact NH2-OE1 3.08Å; D384-E388 WeakPolarHBondContact O-CB 3.44Å; D384-E388 WeakPolarHBondContact O-CG 3.47Å; D384-E388 PolarHBondContact O-N 3.38Å; R385-E388 PolarHBondContact O-N 3.18Å; M386-E388 VanDerWaalsContact C-N 3.32Å; M386-E388 PolarHBondContact O-N 2.89Å; E388-I391 PolarHBondContact O-N 2.83Å; E388-N392 WeakPolarHBondContact O-CB 3.4Å; E388-N392 VanDerWaalsContact O-CG 3.25Å; E388-N392 PolarHBondContact O-N 2.88Å; E388-N392 PolarHBondContact O-ND2 3.27Å; E388-W442 HydrophobicContact CB-CH2 3.59Å; E388-W442 HydrophobicContact CB-CZ2 4.39Å; E388-W442 HydrophobicContact CB-CZ3 4.35Å; E388-W442 VanDerWaalsContact OE2-CZ3 3.28Å; E388-W442 WeakPolarHBondContact OE2-CZ3 3.17Å
389A98.6Very high98.6Very high0 Ų040.5 Ų40.50%019%0.194CC..Hα-helixtrans-57.5-49.1171.900000111L352 Y355 F357 R385 M386 N392 I393 W442L352-A389 HydrophobicContact CD2-CB 4.1Å; Y355-A389 HydrophobicContact CD1-CB 3.65Å; Y355-A389 HydrophobicContact CE1-CB 4.39Å; Y355-A389 HydrophobicContact CG-CB 3.8Å; F357-A389 HydrophobicContact CD2-CB 4.05Å; F357-A389 HydrophobicContact CE2-CB 4.02Å; R385-A389 WeakPolarHBondContact O-CB 3.4Å; R385-A389 PolarHBondContact O-N 2.83Å; M386-A389 PolarHBondContact O-N 3.34Å; A389-N392 PolarHBondContact O-N 2.91Å; A389-I393 WeakPolarHBondContact O-CG1 3.48Å; A389-I393 PolarHBondContact O-N 2.82Å; A389-W442 HydrophobicContact CB-CZ2 4.29Å
390L98.8Very high98.6Very high0 Ų036.5 Ų36.50%017%0.172CC..Hα-helixtrans-63.1-43.4175.9-72.7168.5000111.9L311 Y315 L332 I348 L352 L370 I372 M386 C387 N392 I393 R394L311-L390 HydrophobicContact CD1-CD1 3.73Å; L311-L390 HydrophobicContact CD2-CB 3.8Å; L311-L390 HydrophobicContact CD2-CD1 4.16Å; Y315-L390 HydrophobicContact CE2-CB 3.97Å; Y315-L390 WeakPolarHBondContact CE2-O 3.46Å; Y315-L390 PolarHBondContact OH-O 3.08Å; L332-L390 HydrophobicContact CD1-CD1 4.06Å; I348-L390 HydrophobicContact CG2-CD2 4.3Å; L352-L390 HydrophobicContact CD1-CD2 4.21Å; L352-L390 HydrophobicContact CD2-CD2 4.13Å; L352-L390 HydrophobicContact CD2-CG 4.34Å; L370-L390 HydrophobicContact CD1-CD2 4.48Å; I372-L390 HydrophobicContact CD1-CD1 3.81Å; M386-L390 HydrophobicContact CE-CD1 4.07Å; M386-L390 PolarHBondContact O-N 3.43Å; M386-L390 VanDerWaalsContact O-N 3.09Å; C387-L390 PolarHBondContact O-N 2.96Å; L390-N392 VanDerWaalsContact C-N 3.3Å; L390-N392 PolarHBondContact O-N 3.45Å; L390-I393 PolarHBondContact O-N 3.22Å; L390-R394 PolarHBondContact O-N 3.12Å
391I98.8Very high98.6Very high19 Ų1933.8 Ų33.810%0.09716%0.161CC..Hα-helixtrans-61.1-40.3177.1-70166.7000111.3L311 C387 E388 R394 K395L311-I391 HydrophobicContact CD2-CG1 4.09Å; C387-I391 WeakPolarHBondContact O-CB 3.39Å; C387-I391 WeakPolarHBondContact O-CG1 3.47Å; C387-I391 PolarHBondContact O-N 3.08Å; E388-I391 PolarHBondContact O-N 2.83Å; I391-R394 WeakPolarHBondContact O-CB 3.19Å; I391-R394 PolarHBondContact O-N 3.42Å; I391-K395 WeakPolarHBondContact O-CG 3.42Å; I391-K395 PolarHBondContact O-N 2.94Å; I391-K395 VanDerWaalsContact O-N 3.15Å
392N98.6Very high98.5Very high39 Ų3932.8 Ų32.821%0.20916%0.164CC..Hα-helixtrans-69.6-39.2176.8-70-26.5000111.5Y355 E388 A389 L390 R394 K395 E396Y355-N392 HydrophobicContact CE1-CB 3.94Å; Y355-N392 VanDerWaalsContact OH-CB 3.31Å; Y355-N392 WeakPolarHBondContact OH-CB 3.48Å; E388-N392 WeakPolarHBondContact O-CB 3.4Å; E388-N392 VanDerWaalsContact O-CG 3.25Å; E388-N392 PolarHBondContact O-N 2.88Å; E388-N392 PolarHBondContact O-ND2 3.27Å; A389-N392 PolarHBondContact O-N 2.91Å; L390-N392 VanDerWaalsContact C-N 3.3Å; L390-N392 PolarHBondContact O-N 3.45Å; N392-R394 VanDerWaalsContact C-N 3.29Å; N392-R394 PolarHBondContact O-N 2.8Å; N392-K395 WeakPolarHBondContact O-CB 3.46Å; N392-K395 PolarHBondContact O-N 3.22Å; N392-K395 VanDerWaalsContact O-N 3.09Å; N392-K395 PolarHBondContact OD1-NZ 3.48Å; N392-E396 WeakPolarHBondContact O-CG 3.32Å; N392-E396 PolarHBondContact O-N 2.76Å
393I98.8Very high98.5Very high0 Ų035.1 Ų35.10%019%0.191CC..Hα-helixtrans-59.7-40170.4-70.9167.3000111.1I348 R351 L352 Y355 A389 L390 K395 E396 I397 L412I348-I393 HydrophobicContact CG1-CG2 4.2Å; I348-I393 HydrophobicContact CG2-CD1 4.47Å; I348-I393 HydrophobicContact CG2-CG2 4.07Å; R351-I393 HydrophobicContact CB-CD1 4.22Å; R351-I393 HydrophobicContact CB-CG1 4.5Å; R351-I393 HydrophobicContact CG-CD1 3.99Å; R351-I393 HydrophobicContact CG-CG1 3.83Å; L352-I393 HydrophobicContact CD2-CD1 3.69Å; L352-I393 HydrophobicContact CG-CD1 3.77Å; Y355-I393 HydrophobicContact CD2-CD1 4.16Å; Y355-I393 HydrophobicContact CD2-CG1 4.24Å; Y355-I393 HydrophobicContact CE2-CD1 4.18Å; Y355-I393 HydrophobicContact CE2-CG1 3.74Å; A389-I393 WeakPolarHBondContact O-CG1 3.48Å; A389-I393 PolarHBondContact O-N 2.82Å; L390-I393 PolarHBondContact O-N 3.22Å; I393-K395 VanDerWaalsContact C-N 3.27Å; I393-K395 PolarHBondContact O-N 3.2Å; I393-E396 WeakPolarHBondContact O-CB 3.37Å; I393-E396 PolarHBondContact O-N 3.13Å; I393-E396 VanDerWaalsContact O-N 3.12Å; I393-I397 HydrophobicContact CG2-CD1 4.14Å; I393-I397 HydrophobicContact CG2-CG1 4.49Å; I393-I397 WeakPolarHBondContact O-CG1 3.45Å; I393-I397 PolarHBondContact O-N 3.17Å; I393-L412 HydrophobicContact CG2-CD2 3.81Å
394R98.8Very high98.4Very high55 Ų5541.4 Ų41.421%0.20822%0.221CC..Hα-helixtrans-60.1-37.4174.5178.861.6-171.2101.1-11.8112.3H314 Y315 L390 I391 N392 I397 A398 E401H314-R394 HydrophobicContact CB-CB 4.32Å; H314-R394 HydrophobicContact CB-CG 4.05Å; H314-R394 VanDerWaalsContact O-CD 3.22Å; H314-R394 WeakPolarHBondContact O-CD 3.47Å; H314-R394 PolarHBondContact O-NE 2.88Å; Y315-R394 HydrophobicContact CE2-CB 3.85Å; Y315-R394 PolarHBondContact OH-N 3.43Å; L390-R394 PolarHBondContact O-N 3.12Å; I391-R394 WeakPolarHBondContact O-CB 3.19Å; I391-R394 PolarHBondContact O-N 3.42Å; N392-R394 VanDerWaalsContact C-N 3.29Å; N392-R394 PolarHBondContact O-N 2.8Å; R394-I397 PolarHBondContact O-N 3.25Å; R394-A398 PolarHBondContact O-N 3.32Å; R394-E401 IonicContact CZ-OE2 3.8Å; R394-E401 IonicContact NH1-OE2 2.68Å; R394-E401 PolarHBondContact NH1-OE2 3.03Å; R394-E401 IonicContact NH2-OE1 2.74Å; R394-E401 IonicContact NH2-OE2 3.15Å; R394-E401 PolarHBondContact NH2-OE2 3.33Å
395K98.6Very high98.2Very high118 Ų11842.8 Ų42.851%0.51323%0.226SC..Hα-helixtrans-67.3-42.1173.8-63.5169.5-168.5160.40111.3I391 N392 I393 I397 A398 S399I391-K395 WeakPolarHBondContact O-CG 3.42Å; I391-K395 PolarHBondContact O-N 2.94Å; I391-K395 VanDerWaalsContact O-N 3.15Å; N392-K395 WeakPolarHBondContact O-CB 3.46Å; N392-K395 PolarHBondContact O-N 3.22Å; N392-K395 VanDerWaalsContact O-N 3.09Å; N392-K395 PolarHBondContact OD1-NZ 3.48Å; I393-K395 VanDerWaalsContact C-N 3.27Å; I393-K395 PolarHBondContact O-N 3.2Å; K395-I397 VanDerWaalsContact C-N 3.27Å; K395-I397 PolarHBondContact O-N 2.95Å; K395-A398 WeakPolarHBondContact O-CB 3.39Å; K395-A398 PolarHBondContact O-N 2.88Å; K395-A398 VanDerWaalsContact O-N 3.12Å; K395-S399 WeakPolarHBondContact O-CB 3.37Å; K395-S399 PolarHBondContact O-N 2.93Å; K395-S399 PolarHBondContact O-OG 3.16Å
396E98.7Very high98.2Very high22 Ų2243.4 Ų43.410%0.10324%0.235CC..Hα-helixtrans-57.9-41173.6-66.5173.8-174.600111.1R351 Y355 N392 I393 I400 V411 L412R351-E396 WeakPolarHBondContact CG-OE2 3.38Å; R351-E396 IonicContact CZ-OE1 3.78Å; R351-E396 IonicContact CZ-OE2 2.79Å; R351-E396 IonicContact NE-OE1 3.86Å; R351-E396 PolarHBondContact NE-OE1 2.82Å; R351-E396 IonicContact NE-OE2 3.5Å; R351-E396 PolarHBondContact NE-OE2 2.87Å; R351-E396 IonicContact NH2-OE1 3.84Å; R351-E396 PolarHBondContact NH2-OE1 2.9Å; R351-E396 IonicContact NH2-OE2 3.75Å; Y355-E396 PolarHBondContact OH-OE1 2.85Å; N392-E396 WeakPolarHBondContact O-CG 3.32Å; N392-E396 PolarHBondContact O-N 2.76Å; I393-E396 WeakPolarHBondContact O-CB 3.37Å; I393-E396 PolarHBondContact O-N 3.13Å; I393-E396 VanDerWaalsContact O-N 3.12Å; E396-I400 WeakPolarHBondContact O-CG1 3.36Å; E396-I400 PolarHBondContact O-N 3.04Å; E396-V411 HydrophobicContact CB-CG2 4.31Å; E396-V411 HydrophobicContact CG-CG2 4.01Å; E396-V411 VanDerWaalsContact OE2-CG2 3.3Å; E396-V411 WeakPolarHBondContact OE2-CG2 3.41Å; E396-L412 HydrophobicContact CB-CD1 3.91Å; E396-L412 HydrophobicContact CB-CG 4.38Å
397I98.7Very high98.1Very high0 Ų049.9 Ų49.90%026%0.259CS..Hα-helixtrans-63.7-48.2172.7-64.3168.8000110.7F337 A341 I343 I348 I393 R394 K395 S399 I400 E401 L412F337-I397 HydrophobicContact CB-CG2 4.34Å; F337-I397 HydrophobicContact CD1-CD1 4.44Å; F337-I397 HydrophobicContact CD1-CG2 3.76Å; F337-I397 HydrophobicContact CD2-CD1 3.9Å; F337-I397 HydrophobicContact CE1-CG2 4.31Å; F337-I397 HydrophobicContact CE2-CD1 4.1Å; F337-I397 HydrophobicContact CG-CD1 4.08Å; F337-I397 HydrophobicContact CG-CG2 4.11Å; F337-I397 HydrophobicContact CZ-CD1 4.46Å; A341-I397 HydrophobicContact CB-CG2 3.89Å; I343-I397 HydrophobicContact CG1-CG1 4.48Å; I343-I397 HydrophobicContact CG2-CD1 4.2Å; I343-I397 HydrophobicContact CG2-CG1 4.18Å; I348-I397 HydrophobicContact CD1-CD1 4.01Å; I348-I397 HydrophobicContact CG1-CD1 4.18Å; I393-I397 HydrophobicContact CG2-CD1 4.14Å; I393-I397 HydrophobicContact CG2-CG1 4.49Å; I393-I397 WeakPolarHBondContact O-CG1 3.45Å; I393-I397 PolarHBondContact O-N 3.17Å; R394-I397 PolarHBondContact O-N 3.25Å; K395-I397 VanDerWaalsContact C-N 3.27Å; K395-I397 PolarHBondContact O-N 2.95Å; I397-S399 VanDerWaalsContact C-N 3.26Å; I397-S399 PolarHBondContact O-N 3.46Å; I397-I400 WeakPolarHBondContact O-CA 3.31Å; I397-I400 WeakPolarHBondContact O-CB 3.48Å; I397-I400 PolarHBondContact O-N 2.94Å; I397-E401 HydrophobicContact CG2-CG 4.28Å; I397-E401 WeakPolarHBondContact O-CG 3.39Å; I397-E401 PolarHBondContact O-N 3.44Å; I397-L412 HydrophobicContact CG1-CD1 3.63Å
398A98.5Very high97.9Very high32 Ų3253.5 Ų53.526%0.26429%0.289SS..Hα-helixtrans-58-40-179.700000112.4R394 K395 I400 E401 T402R394-A398 PolarHBondContact O-N 3.32Å; K395-A398 WeakPolarHBondContact O-CB 3.39Å; K395-A398 PolarHBondContact O-N 2.88Å; K395-A398 VanDerWaalsContact O-N 3.12Å; A398-I400 PolarHBondContact O-N 3.27Å; A398-E401 WeakPolarHBondContact CA-OE2 3.27Å; A398-E401 WeakPolarHBondContact O-CB 3.43Å; A398-E401 PolarHBondContact O-N 3.48Å; A398-E401 VanDerWaalsContact O-N 3.12Å; A398-T402 WeakPolarHBondContact O-CG2 3.29Å; A398-T402 PolarHBondContact O-N 2.93Å; A398-T402 PolarHBondContact O-OG1 3.49Å
399S98.3Very high97.9Very high24 Ų2451.9 Ų51.917%0.16828%0.283CS..Hα-helixtrans-62.1-27175.1-86.40000113.7K395 I397 T402 Q404 H405K395-S399 WeakPolarHBondContact O-CB 3.37Å; K395-S399 PolarHBondContact O-N 2.93Å; K395-S399 PolarHBondContact O-OG 3.16Å; I397-S399 VanDerWaalsContact C-N 3.26Å; I397-S399 PolarHBondContact O-N 3.46Å; S399-T402 PolarHBondContact O-OG1 2.69Å; S399-Q404 WeakPolarHBondContact O-CA 3.49Å; S399-Q404 WeakPolarHBondContact O-CB 3.36Å; S399-Q404 PolarHBondContact O-N 2.9Å; S399-Q404 PolarHBondContact OG-OE1 2.95Å; S399-H405 PolarHBondContact O-N 2.9Å
400I98.5Very high97.8Very high4 Ų452 Ų522%0.02128%0.283CS..Hα-helixtrans-81.2-39171.5-60.7164.4000110.3A341 I343 E396 I397 A398 T402 G403 H405 R407 N410 L412A341-I400 HydrophobicContact CB-CB 4.19Å; A341-I400 HydrophobicContact CB-CG2 3.97Å; A341-I400 WeakPolarHBondContact O-CG2 3.04Å; I343-I400 HydrophobicContact CD1-CD1 3.84Å; I343-I400 HydrophobicContact CG1-CD1 4.01Å; E396-I400 WeakPolarHBondContact O-CG1 3.36Å; E396-I400 PolarHBondContact O-N 3.04Å; I397-I400 WeakPolarHBondContact O-CA 3.31Å; I397-I400 WeakPolarHBondContact O-CB 3.48Å; I397-I400 PolarHBondContact O-N 2.94Å; A398-I400 PolarHBondContact O-N 3.27Å; I400-T402 VanDerWaalsContact C-N 3.28Å; I400-T402 PolarHBondContact O-N 3.34Å; I400-G403 PolarHBondContact O-N 2.89Å; I400-G403 VanDerWaalsContact O-N 3.14Å; I400-H405 HydrophobicContact CG1-CB 4.17Å; I400-R407 HydrophobicContact CG2-CB 4.35Å; I400-R407 HydrophobicContact CG2-CG 3.53Å; I400-N410 HydrophobicContact CD1-CB 4.1Å; I400-N410 VanDerWaalsContact CD1-CG 3.5Å; I400-N410 WeakPolarHBondContact CD1-ND2 3.44Å; I400-N410 HydrophobicContact CG1-CB 4.43Å; I400-L412 HydrophobicContact CD1-CD1 3.89Å
401E98.3Very high97.8Very high62 Ų6252.5 Ų52.529%0.2929%0.287SS..Hα-helixtrans-58.9-39.2176.3-64.3174.9140.500111.8T340 A341 R394 I397 A398 G403T340-E401 WeakPolarHBondContact CB-OE1 3.43Å; T340-E401 PolarHBondContact OG1-OE1 3.01Å; A341-E401 HydrophobicContact CB-CG 3.89Å; R394-E401 IonicContact CZ-OE2 3.8Å; R394-E401 IonicContact NH1-OE2 2.68Å; R394-E401 PolarHBondContact NH1-OE2 3.03Å; R394-E401 IonicContact NH2-OE1 2.74Å; R394-E401 IonicContact NH2-OE2 3.15Å; R394-E401 PolarHBondContact NH2-OE2 3.33Å; I397-E401 HydrophobicContact CG2-CG 4.28Å; I397-E401 WeakPolarHBondContact O-CG 3.39Å; I397-E401 PolarHBondContact O-N 3.44Å; A398-E401 WeakPolarHBondContact CA-OE2 3.27Å; A398-E401 WeakPolarHBondContact O-CB 3.43Å; A398-E401 PolarHBondContact O-N 3.48Å; A398-E401 VanDerWaalsContact O-N 3.12Å; E401-G403 VanDerWaalsContact C-N 3.33Å
402T97.7Very high97.8Very high109 Ų10951.6 Ų51.667%0.66928%0.282SS*.THydrogen-bonded Turntrans-83.6-5178.760.30000114.2A398 S399 I400 Q404A398-T402 WeakPolarHBondContact O-CG2 3.29Å; A398-T402 PolarHBondContact O-N 2.93Å; A398-T402 PolarHBondContact O-OG1 3.49Å; S399-T402 PolarHBondContact O-OG1 2.69Å; I400-T402 VanDerWaalsContact C-N 3.28Å; I400-T402 PolarHBondContact O-N 3.34Å; T402-Q404 VanDerWaalsContact C-N 3.31Å; T402-Q404 PolarHBondContact O-N 3.19Å
403G96.6Very high97.8Very high60 Ų6052.6 Ų52.662%0.61928%0.284SS*.THydrogen-bonded Turntrans76.710.8-177.700000115.1I400 E401 H405I400-G403 PolarHBondContact O-N 2.89Å; I400-G403 VanDerWaalsContact O-N 3.14Å; E401-G403 VanDerWaalsContact C-N 3.33Å; G403-H405 VanDerWaalsContact C-N 3.3Å
404Q97Very high97.8Very high137 Ų13754.1 Ų54.164%0.6429%0.293SS*.SBendtrans-66.8-33.5174.4-173.9-1747.600111.9S399 T402S399-Q404 WeakPolarHBondContact O-CA 3.49Å; S399-Q404 WeakPolarHBondContact O-CB 3.36Å; S399-Q404 PolarHBondContact O-N 2.9Å; S399-Q404 PolarHBondContact OG-OE1 2.95Å; T402-Q404 VanDerWaalsContact C-N 3.31Å; T402-Q404 PolarHBondContact O-N 3.19Å
405H96.1Very high97.7Very high58 Ų5851.5 Ų51.527%0.26928%0.283SS..SBendtrans-120.1145.7176-72.7-91.9000111.3S399 I400 G403S399-H405 PolarHBondContact O-N 2.9Å; I400-H405 HydrophobicContact CG1-CB 4.17Å; G403-H405 VanDerWaalsContact C-N 3.3Å
406D96.2Very high97.7Very high90 Ų9046.1 Ų46.148%0.48126%0.26SS..  trans-60.3140.7179.5-176.3-94.5000111.9A408 N409 N410D406-A408 PolarHBondContact O-N 2.83Å; D406-A408 WeakPolarHBondContact OD1-CA 3.44Å; D406-A408 PolarHBondContact OD1-N 3.02Å; D406-N409 PolarHBondContact OD1-N 3.06Å; D406-N410 WeakPolarHBondContact O-CB 3.32Å; D406-N410 PolarHBondContact O-ND2 3.16Å
407R96.1Very high97.7Very high140 Ų14045.2 Ų45.253%0.52826%0.256SS..SBendtrans-69.5-30-177.7-86.1-178.1157.3-178.4-6.8113.9T340 I400 N410T340-R407 PolarHBondContact O-NH2 2.92Å; I400-R407 HydrophobicContact CG2-CB 4.35Å; I400-R407 HydrophobicContact CG2-CG 3.53Å; R407-N410 PolarHBondContact O-ND2 3.48Å
408A96.4Very high97.6Very high76 Ų7645.7 Ų45.763%0.62826%0.259SS*.SBendtrans-100.3-31.9-176.500000113D406 K413D406-A408 PolarHBondContact O-N 2.83Å; D406-A408 WeakPolarHBondContact OD1-CA 3.44Å; D406-A408 PolarHBondContact OD1-N 3.02Å; A408-K413 WeakPolarHBondContact O-CB 3.2Å
409N97.1Very high97.5Very high44 Ų4448.5 Ų48.524%0.23527%0.268CS..SBendtrans-118.973.8-175.2-167.213.7000111.7D406 N414 R429 P430D406-N409 PolarHBondContact OD1-N 3.06Å; N409-N414 PolarHBondContact OD1-ND2 3.25Å; N409-R429 WeakPolarHBondContact OD1-CD 3.28Å; N409-R429 PolarHBondContact OD1-NH1 3.35Å; N409-P430 WeakPolarHBondContact ND2-CD 3.4Å; N409-P430 WeakPolarHBondContact O-CD 3.22Å; N409-P430 WeakPolarHBondContact O-CG 3.47Å
410N98.1Very high97.4Very high2 Ų255.8 Ų55.81%0.01130%0.297CS..SBendtrans-132.4175.717857.266.2000111.1I400 D406 R407 L412 K413 N414I400-N410 HydrophobicContact CD1-CB 4.1Å; I400-N410 VanDerWaalsContact CD1-CG 3.5Å; I400-N410 WeakPolarHBondContact CD1-ND2 3.44Å; I400-N410 HydrophobicContact CG1-CB 4.43Å; D406-N410 WeakPolarHBondContact O-CB 3.32Å; D406-N410 PolarHBondContact O-ND2 3.16Å; R407-N410 PolarHBondContact O-ND2 3.48Å; N410-L412 VanDerWaalsContact C-N 3.28Å; N410-L412 PolarHBondContact O-N 3.48Å; N410-L412 WeakPolarHBondContact OD1-CB 3.28Å; N410-L412 PolarHBondContact OD1-N 2.72Å; N410-K413 PolarHBondContact OD1-N 2.76Å; N410-N414 WeakPolarHBondContact O-CB 3.16Å; N410-N414 PolarHBondContact O-N 3.27Å; N410-N414 PolarHBondContact O-ND2 3.34Å
411V98.4Very high97.2Very high11 Ų1158.3 Ų58.37%0.06731%0.31CS..Hα-helixtrans-63.6-30.6-178.1-69.50000113.5E396 A415 H417 Y431 L435E396-V411 HydrophobicContact CB-CG2 4.31Å; E396-V411 HydrophobicContact CG-CG2 4.01Å; E396-V411 VanDerWaalsContact OE2-CG2 3.3Å; E396-V411 WeakPolarHBondContact OE2-CG2 3.41Å; V411-A415 WeakPolarHBondContact O-CB 3.38Å; V411-A415 PolarHBondContact O-N 3.13Å; V411-H417 PolarHBondContact O-CE1 3.05Å; V411-Y431 HydrophobicContact CG1-CD1 3.9Å; V411-Y431 HydrophobicContact CG1-CD2 3.36Å; V411-Y431 HydrophobicContact CG1-CE1 4.15Å; V411-Y431 HydrophobicContact CG1-CE2 3.64Å; V411-Y431 HydrophobicContact CG1-CG 3.5Å; V411-L435 HydrophobicContact CG1-CD2 4.03Å; V411-L435 HydrophobicContact CG1-CG 4.13Å
412L98.6Very high97.2Very high1 Ų156 Ų561%0.00530%0.3CS..Hα-helixtrans-73.2-47.5-179.7-74.1156.5000111.5I343 D347 R351 I393 E396 I397 I400 N410 N414 A415 R453I343-L412 HydrophobicContact CD1-CB 3.75Å; I343-L412 HydrophobicContact CD1-CD1 3.95Å; I343-L412 HydrophobicContact CD1-CG 4.46Å; I343-L412 HydrophobicContact CG1-CD1 4.18Å; D347-L412 HydrophobicContact CB-CB 4.31Å; R351-L412 HydrophobicContact CB-CD2 3.62Å; R351-L412 HydrophobicContact CG-CD2 3.66Å; R351-L412 HydrophobicContact CG-CG 4.4Å; I393-L412 HydrophobicContact CG2-CD2 3.81Å; E396-L412 HydrophobicContact CB-CD1 3.91Å; E396-L412 HydrophobicContact CB-CG 4.38Å; I397-L412 HydrophobicContact CG1-CD1 3.63Å; I400-L412 HydrophobicContact CD1-CD1 3.89Å; N410-L412 VanDerWaalsContact C-N 3.28Å; N410-L412 PolarHBondContact O-N 3.48Å; N410-L412 WeakPolarHBondContact OD1-CB 3.28Å; N410-L412 PolarHBondContact OD1-N 2.72Å; L412-N414 VanDerWaalsContact C-N 3.29Å; L412-N414 PolarHBondContact O-N 2.86Å; L412-A415 PolarHBondContact O-N 3.36Å; L412-R453 PolarHBondContact O-NH2 3.46Å
413K98.1Very high97.1Very high59 Ų5954.9 Ų54.926%0.25730%0.296SS..Hα-helixtrans-66.7-30.1179.4-71.4-58-171.7-1690113.5G342 I343 D347 A408 N410G342-K413 WeakPolarHBondContact O-CE 3.47Å; G342-K413 PolarHBondContact O-NZ 2.88Å; I343-K413 HydrophobicContact CD1-CD 4.38Å; I343-K413 HydrophobicContact CD1-CG 4.38Å; D347-K413 IonicContact OD1-NZ 3.89Å; D347-K413 IonicContact OD2-NZ 3.97Å; D347-K413 PolarHBondContact OD2-NZ 3.31Å; A408-K413 WeakPolarHBondContact O-CB 3.2Å; N410-K413 PolarHBondContact OD1-N 2.76Å
414N98Very high97Very high33 Ų3353.1 Ų53.118%0.17628%0.278CS..Hα-helixtrans-94.5-4.7-178.6-65.4-53.3000114.1N409 N410 L412 R429 Y431N409-N414 PolarHBondContact OD1-ND2 3.25Å; N410-N414 WeakPolarHBondContact O-CB 3.16Å; N410-N414 PolarHBondContact O-N 3.27Å; N410-N414 PolarHBondContact O-ND2 3.34Å; L412-N414 VanDerWaalsContact C-N 3.29Å; L412-N414 PolarHBondContact O-N 2.86Å; N414-R429 VanDerWaalsContact CG-CZ 3.46Å; N414-R429 PolarHBondContact ND2-NH1 3.18Å; N414-R429 VanDerWaalsContact ND2-NH1 3.17Å; N414-R429 PolarHBondContact OD1-NH1 3.35Å; N414-R429 PolarHBondContact OD1-NH2 2.64Å; N414-Y431 WeakPolarHBondContact CB-OH 3.49Å; N414-Y431 PolarHBondContact ND2-OH 3.07Å
415A98.3Very high97Very high0 Ų054.6 Ų54.60%029%0.29CS..  trans-68.5147.6174.200000111.8K350 R351 D354 V411 L412 R453K350-A415 HydrophobicContact CB-CB 4.08Å; R351-A415 HydrophobicContact CB-CB 4.01Å; D354-A415 WeakPolarHBondContact OD2-CB 3.32Å; V411-A415 WeakPolarHBondContact O-CB 3.38Å; V411-A415 PolarHBondContact O-N 3.13Å; L412-A415 PolarHBondContact O-N 3.36Å; A415-R453 PolarHBondContact O-NE 3.44Å; A415-R453 PolarHBondContact O-NH2 3.07Å
416P98.2Very high96.9Very high5 Ų560.9 Ų60.93%0.03232%0.317CS..SBendcis-85.1151.60.235.7-35.4000113.4M353 P449M353-P416 HydrophobicContact CB-CB 4.1Å; M353-P416 HydrophobicContact SD-CB 3.77Å; M353-P416 HydrophobicContact SD-CG 3.89Å; P416-P449 HydrophobicContact CB-CB 3.78Å; P416-P449 HydrophobicContact CB-CG 3.72Å; P416-P449 HydrophobicContact CG-CB 4.14Å
417H98Very high96.9Very high2 Ų259.5 Ų59.51%0.00930%0.304CS..  trans-96.5108.5-177.9-59.687000111.6D354 V411 V422 Y431 A436D354-H417 IonicContact OD1-CG 3.95Å; D354-H417 PolarHBondContact OD1-N 3.46Å; D354-H417 IonicContact OD1-ND1 3.46Å; D354-H417 PolarHBondContact OD1-ND1 2.88Å; D354-H417 IonicContact OD2-CE1 3.44Å; D354-H417 PolarHBondContact OD2-CE1 3.12Å; D354-H417 IonicContact OD2-CG 3.88Å; D354-H417 IonicContact OD2-ND1 2.72Å; D354-H417 PolarHBondContact OD2-ND1 2.89Å; V411-H417 PolarHBondContact O-CE1 3.05Å; H417-V422 HydrophobicContact CB-CG2 4.06Å; H417-Y431 AromaticContact NE2-CE2 3.74Å; H417-Y431 AromaticContact NE2-CZ 3.93Å; H417-Y431 PolarHBondContact NE2-OH 2.72Å; H417-A436 HydrophobicContact CB-CB 4.26Å
418T97.2Very high96.8Very high11 Ų1158.9 Ų58.97%0.06731%0.312CS..  trans-76.4162.1178.769.30000112.5K420 I421 V422 P449 V451 S452T418-K420 PolarHBondContact O-N 2.95Å; T418-K420 PolarHBondContact OG1-N 3.13Å; T418-I421 PolarHBondContact O-N 3.28Å; T418-I421 VanDerWaalsContact O-N 3.13Å; T418-I421 WeakPolarHBondContact OG1-CG1 3.38Å; T418-I421 PolarHBondContact OG1-N 3.41Å; T418-V422 WeakPolarHBondContact O-CG2 3.21Å; T418-V422 PolarHBondContact O-N 2.8Å; T418-P449 WeakPolarHBondContact CG2-O 3.36Å; T418-V451 VanDerWaalsContact CG2-O 3.31Å; T418-V451 WeakPolarHBondContact CG2-O 3.45Å; T418-S452 VanDerWaalsContact CG2-N 3.28Å
419I96.1Very high96.8Very high90 Ų9058.9 Ų58.946%0.46230%0.296SS..Hα-helixtrans-57.1-37.5172.9-166.1169.2000112I421 V422 C423 W448I419-I421 VanDerWaalsContact C-N 3.34Å; I419-I421 PolarHBondContact O-N 3.05Å; I419-V422 PolarHBondContact O-N 3.23Å; I419-C423 VanDerWaalsContact O-CB 3.26Å; I419-C423 WeakPolarHBondContact O-CB 3.32Å; I419-C423 PolarHBondContact O-N 3.47Å; I419-W448 HydrophobicContact CB-CD2 3.86Å; I419-W448 HydrophobicContact CB-CE3 3.98Å; I419-W448 HydrophobicContact CB-CG 4.21Å; I419-W448 HydrophobicContact CB-CZ3 4.39Å; I419-W448 HydrophobicContact CG1-CD2 4.37Å; I419-W448 HydrophobicContact CG1-CZ2 4.35Å
420K95.6Very high96.8Very high177 Ų17760.5 Ų60.577%0.7731%0.308SS*.Hα-helixtrans-62.7-39.9178-175.4178.6179.5-179.70111.9T418 G424T418-K420 PolarHBondContact O-N 2.95Å; T418-K420 PolarHBondContact OG1-N 3.13Å; K420-G424 PolarHBondContact O-N 3.32Å
421I95.9Very high96.7Very high58 Ų5861.1 Ų61.130%0.29731%0.311SS..Hα-helixtrans-70.2-47.7178.5-71.1168.3000110.5T418 I419 G424 W427T418-I421 PolarHBondContact O-N 3.28Å; T418-I421 VanDerWaalsContact O-N 3.13Å; T418-I421 WeakPolarHBondContact OG1-CG1 3.38Å; T418-I421 PolarHBondContact OG1-N 3.41Å; I419-I421 VanDerWaalsContact C-N 3.34Å; I419-I421 PolarHBondContact O-N 3.05Å; I421-G424 PolarHBondContact O-N 3.03Å; I421-W427 HydrophobicContact CG2-CZ3 3.9Å
422V96.4Very high96.7Very high13 Ų1366.4 Ų66.48%0.07934%0.338CS..Hα-helixtrans-69.8-36.6-175.31760000112.2H417 T418 I419 R433 W448H417-V422 HydrophobicContact CB-CG2 4.06Å; T418-V422 WeakPolarHBondContact O-CG2 3.21Å; T418-V422 PolarHBondContact O-N 2.8Å; I419-V422 PolarHBondContact O-N 3.23Å; V422-R433 HydrophobicContact CG1-CB 4.34Å; V422-R433 WeakPolarHBondContact O-CD 3.35Å; V422-R433 PolarHBondContact O-NH1 3.46Å; V422-W448 HydrophobicContact CB-CH2 4.15Å; V422-W448 HydrophobicContact CB-CZ3 4.24Å; V422-W448 HydrophobicContact CG1-CH2 4.19Å; V422-W448 HydrophobicContact CG2-CH2 4.24Å; V422-W448 HydrophobicContact CG2-CZ3 3.95Å
423C96.3Very high96.6Very high86 Ų8670.5 Ų70.558%0.58135%0.353SS*.THydrogen-bonded Turntrans-88.51.2179-650000113.8I419I419-C423 VanDerWaalsContact O-CB 3.26Å; I419-C423 WeakPolarHBondContact O-CB 3.32Å; I419-C423 PolarHBondContact O-N 3.47Å
424G95.6Very high96.4Very high23 Ų2369.6 Ų69.624%0.23735%0.354CS..  trans-61.8152.1179.300000113.1K420 I421 K426 R433K420-G424 PolarHBondContact O-N 3.32Å; I421-G424 PolarHBondContact O-N 3.03Å; G424-K426 VanDerWaalsContact C-N 3.26Å; G424-K426 PolarHBondContact O-N 2.94Å; G424-R433 VanDerWaalsContact O-CZ 3.22Å; G424-R433 PolarHBondContact O-NH1 2.96Å; G424-R433 PolarHBondContact O-NH2 2.93Å
425D96.4Very high96.4Very high168 Ų16870.9 Ų70.990%0.89836%0.361SS*.SBendtrans-65.8-31.7179.9-61.5-34.2000112.3
426K94.5Very high96.3Very high190 Ų19070.9 Ų70.983%0.82636%0.361SS*.  trans-105.8140.7179.6-63.3-177.4-178.7179.10110.8G424G424-K426 VanDerWaalsContact C-N 3.26Å; G424-K426 PolarHBondContact O-N 2.94Å
427W96.4Very high96.1Very high60 Ų6070.9 Ų70.923%0.22736%0.361CS..  trans-137.5102.7175.3-173.8-98.9000109.6I421 R429 Y431 R433 A436I421-W427 HydrophobicContact CG2-CZ3 3.9Å; W427-R429 HydrophobicContact CD2-CB 4.35Å; W427-R429 HydrophobicContact CD2-CG 4.22Å; W427-R429 HydrophobicContact CE3-CG 4.48Å; W427-R429 HydrophobicContact CH2-CG 4.15Å; W427-R429 HydrophobicContact CZ2-CB 3.79Å; W427-R429 HydrophobicContact CZ2-CG 3.87Å; W427-R429 HydrophobicContact CZ3-CG 4.45Å; W427-Y431 HydrophobicContact CH2-CE2 4.02Å; W427-Y431 AromaticContact CZ2-CD2 3.8Å; W427-Y431 HydrophobicContact CZ2-CD2 3.8Å; W427-Y431 AromaticContact CZ2-CE2 3.56Å; W427-Y431 HydrophobicContact CZ2-CE2 3.56Å; W427-Y431 PolarHBondContact NE1-O 2.97Å; W427-R433 HydrophobicContact CD2-CG 3.53Å; W427-R433 HydrophobicContact CE3-CG 3.73Å; W427-R433 HydrophobicContact CG-CG 3.99Å; W427-R433 HydrophobicContact CH2-CG 4.23Å; W427-R433 HydrophobicContact CZ2-CG 4.04Å; W427-R433 HydrophobicContact CZ3-CG 4.07Å; W427-A436 HydrophobicContact CH2-CB 3.73Å; W427-A436 HydrophobicContact CZ2-CB 4.12Å
428D93.6Very high95.9Very high127 Ų12775.7 Ų75.768%0.67938%0.38SS*.  trans-105.929.3-173.962.1-16000112.1
429R96.4Very high95.9Very high77 Ų7776.4 Ų76.429%0.29138%0.384SS..  trans-109.6139.9-176.7-51.2-58.6-172.11637111.2N409 N414 W427 Y431N409-R429 WeakPolarHBondContact OD1-CD 3.28Å; N409-R429 PolarHBondContact OD1-NH1 3.35Å; N414-R429 VanDerWaalsContact CG-CZ 3.46Å; N414-R429 PolarHBondContact ND2-NH1 3.18Å; N414-R429 VanDerWaalsContact ND2-NH1 3.17Å; N414-R429 PolarHBondContact OD1-NH1 3.35Å; N414-R429 PolarHBondContact OD1-NH2 2.64Å; W427-R429 HydrophobicContact CD2-CB 4.35Å; W427-R429 HydrophobicContact CD2-CG 4.22Å; W427-R429 HydrophobicContact CE3-CG 4.48Å; W427-R429 HydrophobicContact CH2-CG 4.15Å; W427-R429 HydrophobicContact CZ2-CB 3.79Å; W427-R429 HydrophobicContact CZ2-CG 3.87Å; W427-R429 HydrophobicContact CZ3-CG 4.45Å; R429-Y431 HydrophobicContact CB-CD1 4.08Å; R429-Y431 HydrophobicContact CB-CD2 4.18Å; R429-Y431 HydrophobicContact CB-CE1 3.67Å; R429-Y431 HydrophobicContact CB-CE2 3.79Å; R429-Y431 HydrophobicContact CB-CG 4.31Å; R429-Y431 WeakPolarHBondContact CD-OH 3.39Å; R429-Y431 HydrophobicContact CG-CE1 4.31Å; R429-Y431 HydrophobicContact CG-CE2 4.16Å; R429-Y431 WeakPolarHBondContact CG-OH 3.48Å; R429-Y431 PolarHBondContact O-N 3.16Å
430P96.4Very high95.9Very high78 Ų7872.7 Ų72.751%0.50637%0.367SS..SBendtrans-79.627.6-178.235.4-37.9000112.9N409N409-P430 WeakPolarHBondContact ND2-CD 3.4Å; N409-P430 WeakPolarHBondContact O-CD 3.22Å; N409-P430 WeakPolarHBondContact O-CG 3.47Å
431Y97.4Very high95.9Very high14 Ų1471.9 Ų71.96%0.05537%0.366CS..SBendtrans-146.6160-179.350.5-96.5000109.6V411 N414 H417 W427 R429 A436V411-Y431 HydrophobicContact CG1-CD1 3.9Å; V411-Y431 HydrophobicContact CG1-CD2 3.36Å; V411-Y431 HydrophobicContact CG1-CE1 4.15Å; V411-Y431 HydrophobicContact CG1-CE2 3.64Å; V411-Y431 HydrophobicContact CG1-CG 3.5Å; N414-Y431 WeakPolarHBondContact CB-OH 3.49Å; N414-Y431 PolarHBondContact ND2-OH 3.07Å; H417-Y431 AromaticContact NE2-CE2 3.74Å; H417-Y431 AromaticContact NE2-CZ 3.93Å; H417-Y431 PolarHBondContact NE2-OH 2.72Å; W427-Y431 HydrophobicContact CH2-CE2 4.02Å; W427-Y431 AromaticContact CZ2-CD2 3.8Å; W427-Y431 HydrophobicContact CZ2-CD2 3.8Å; W427-Y431 AromaticContact CZ2-CE2 3.56Å; W427-Y431 HydrophobicContact CZ2-CE2 3.56Å; W427-Y431 PolarHBondContact NE1-O 2.97Å; R429-Y431 HydrophobicContact CB-CD1 4.08Å; R429-Y431 HydrophobicContact CB-CD2 4.18Å; R429-Y431 HydrophobicContact CB-CE1 3.67Å; R429-Y431 HydrophobicContact CB-CE2 3.79Å; R429-Y431 HydrophobicContact CB-CG 4.31Å; R429-Y431 WeakPolarHBondContact CD-OH 3.39Å; R429-Y431 HydrophobicContact CG-CE1 4.31Å; R429-Y431 HydrophobicContact CG-CE2 4.16Å; R429-Y431 WeakPolarHBondContact CG-OH 3.48Å; R429-Y431 PolarHBondContact O-N 3.16Å; Y431-A436 HydrophobicContact CD2-CB 4.44Å; Y431-A436 HydrophobicContact CE2-CB 4.14Å
432L96.6Very high95.9Very high122 Ų12272.3 Ų72.364%0.63936%0.364SS*.  trans-74.9147.9-174.7-61.2174.7000112.3S434 L435 A436L432-S434 WeakPolarHBondContact CB-OG 3.04Å; L432-S434 PolarHBondContact O-N 3.47Å; L432-L435 HydrophobicContact CB-CB 4.46Å; L432-L435 PolarHBondContact O-N 2.89Å; L432-L435 VanDerWaalsContact O-N 3.09Å; L432-A436 PolarHBondContact O-N 3.06Å; L432-A436 VanDerWaalsContact O-N 3.11Å
433R97Very high95.7Very high87 Ų8771.8 Ų71.833%0.32836%0.361SS..Hα-helixtrans-55.8-35.5169.7-68.6179.8-173-149.68.5112.3V422 G424 W427 A436 S437V422-R433 HydrophobicContact CG1-CB 4.34Å; V422-R433 WeakPolarHBondContact O-CD 3.35Å; V422-R433 PolarHBondContact O-NH1 3.46Å; G424-R433 VanDerWaalsContact O-CZ 3.22Å; G424-R433 PolarHBondContact O-NH1 2.96Å; G424-R433 PolarHBondContact O-NH2 2.93Å; W427-R433 HydrophobicContact CD2-CG 3.53Å; W427-R433 HydrophobicContact CE3-CG 3.73Å; W427-R433 HydrophobicContact CG-CG 3.99Å; W427-R433 HydrophobicContact CH2-CG 4.23Å; W427-R433 HydrophobicContact CZ2-CG 4.04Å; W427-R433 HydrophobicContact CZ3-CG 4.07Å; R433-A436 WeakPolarHBondContact O-CB 3.34Å; R433-A436 PolarHBondContact O-N 3.24Å; R433-S437 WeakPolarHBondContact O-CB 3.38Å; R433-S437 PolarHBondContact O-N 3.07Å; R433-S437 PolarHBondContact O-OG 3.03Å
434S95.1Very high95.4Very high40 Ų4076.2 Ų76.228%0.2837%0.366SS..Hα-helixtrans-62.8-42.8176.251.20000112L432 A436 S437 Y438L432-S434 WeakPolarHBondContact CB-OG 3.04Å; L432-S434 PolarHBondContact O-N 3.47Å; S434-A436 VanDerWaalsContact C-N 3.31Å; S434-A436 PolarHBondContact O-N 3.29Å; S434-S437 PolarHBondContact O-N 2.94Å; S434-Y438 VanDerWaalsContact CB-CZ 3.5Å; S434-Y438 WeakPolarHBondContact CB-OH 3.11Å; S434-Y438 CarbonylContact O-C 3.5Å; S434-Y438 PolarHBondContact O-N 3.41Å
435L96.2Very high95.1Very high60 Ų6084.9 Ų84.931%0.31439%0.391SS..Hα-helixtrans-67.7-32.3176.4-176.263.8000112.1R351 V411 L432 P439R351-L435 PolarHBondContact NH1-O 2.89Å; R351-L435 PolarHBondContact NH2-O 2.84Å; V411-L435 HydrophobicContact CG1-CD2 4.03Å; V411-L435 HydrophobicContact CG1-CG 4.13Å; L432-L435 HydrophobicContact CB-CB 4.46Å; L432-L435 PolarHBondContact O-N 2.89Å; L432-L435 VanDerWaalsContact O-N 3.09Å; L435-P439 HydrophobicContact CD1-CB 4.24Å
436A97.3Very high94.8Very high0 Ų079 Ų790%036%0.358CS..Hα-helixtrans-69.6-42.5173.900000112.5H417 W427 Y431 L432 R433 S434H417-A436 HydrophobicContact CB-CB 4.26Å; W427-A436 HydrophobicContact CH2-CB 3.73Å; W427-A436 HydrophobicContact CZ2-CB 4.12Å; Y431-A436 HydrophobicContact CD2-CB 4.44Å; Y431-A436 HydrophobicContact CE2-CB 4.14Å; L432-A436 PolarHBondContact O-N 3.06Å; L432-A436 VanDerWaalsContact O-N 3.11Å; R433-A436 WeakPolarHBondContact O-CB 3.34Å; R433-A436 PolarHBondContact O-N 3.24Å; S434-A436 VanDerWaalsContact C-N 3.31Å; S434-A436 PolarHBondContact O-N 3.29Å
437S93.7Very high94.6Very high5 Ų571.5 Ų71.54%0.03533%0.328CS..Hα-helixtrans-94.8-41.7-168.352.80000115.3R433 S434 K446R433-S437 WeakPolarHBondContact O-CB 3.38Å; R433-S437 PolarHBondContact O-N 3.07Å; R433-S437 PolarHBondContact O-OG 3.03Å; S434-S437 PolarHBondContact O-N 2.94Å; S437-K446 WeakPolarHBondContact O-CD 3.23Å; S437-K446 WeakPolarHBondContact O-CE 3.35Å; S437-K446 PolarHBondContact O-NZ 3.4Å
438Y94.4Very high94.6Very high104 Ų10472.4 Ų72.441%0.40833%0.331SS..  trans-137.569179.848.4-90.2000111S434 A440 S443 R444S434-Y438 VanDerWaalsContact CB-CZ 3.5Å; S434-Y438 WeakPolarHBondContact CB-OH 3.11Å; S434-Y438 CarbonylContact O-C 3.5Å; S434-Y438 PolarHBondContact O-N 3.41Å; Y438-A440 PolarHBondContact O-N 3.39Å; Y438-S443 WeakPolarHBondContact CA-OG 3.16Å; Y438-S443 WeakPolarHBondContact CB-OG 3.33Å; Y438-R444 HydrophobicContact CD2-CG 4.43Å; Y438-R444 HydrophobicContact CG-CG 4.45Å
439P97.3Very high94.8Very high25 Ų2567.3 Ų67.316%0.16231%0.305CS..SBendtrans-63.8-13.7-175.627.3-35.9000114.4D354 Y355 L435D354-P439 HydrophobicContact CB-CG 4.48Å; D354-P439 WeakPolarHBondContact O-CD 3Å; Y355-P439 HydrophobicContact CD1-CB 4.26Å; Y355-P439 HydrophobicContact CD1-CG 3.7Å; Y355-P439 HydrophobicContact CD2-CB 4.44Å; Y355-P439 HydrophobicContact CD2-CG 3.64Å; Y355-P439 HydrophobicContact CE1-CB 3.68Å; Y355-P439 HydrophobicContact CE1-CG 3.63Å; Y355-P439 HydrophobicContact CE2-CB 3.88Å; Y355-P439 HydrophobicContact CE2-CG 3.57Å; Y355-P439 HydrophobicContact CG-CG 3.71Å; Y355-P439 VanDerWaalsContact CZ-CB 3.47Å; L435-P439 HydrophobicContact CD1-CB 4.24Å
440A96.3Very high94.8Very high12 Ų1266.4 Ų66.410%0.09931%0.314CS..SBendtrans-135.7159.4176.200000111.8Y355 Y438 W442 S443Y355-A440 HydrophobicContact CD1-CB 4.08Å; Y355-A440 HydrophobicContact CE1-CB 4.21Å; Y438-A440 PolarHBondContact O-N 3.39Å; A440-W442 VanDerWaalsContact C-N 3.34Å; A440-W442 HydrophobicContact CB-CD2 3.66Å; A440-W442 HydrophobicContact CB-CE3 3.8Å; A440-W442 HydrophobicContact CB-CG 4.47Å; A440-W442 HydrophobicContact CB-CH2 3.45Å; A440-W442 VanDerWaalsContact CB-CH2 3.45Å; A440-W442 HydrophobicContact CB-CZ2 3.3Å; A440-W442 HydrophobicContact CB-CZ3 3.71Å; A440-W442 PolarHBondContact O-N 3.39Å; A440-S443 PolarHBondContact N-OG 2.81Å; A440-S443 VanDerWaalsContact N-OG 3.15Å; A440-S443 WeakPolarHBondContact O-CB 3.37Å; A440-S443 PolarHBondContact O-N 3.19Å; A440-S443 VanDerWaalsContact O-N 3.08Å; A440-S443 PolarHBondContact O-OG 3.16Å
441E95.2Very high94.8Very high160 Ų16067.2 Ų67.275%0.74832%0.317SS*.G310 helixtrans-60.8-41-174.9-173.4161.1-164.500113.1S443 R444E441-S443 VanDerWaalsContact C-N 3.26Å; E441-S443 PolarHBondContact O-N 2.8Å; E441-R444 WeakPolarHBondContact O-CB 3.42Å; E441-R444 WeakPolarHBondContact O-CG 3.31Å; E441-R444 PolarHBondContact O-N 3.45Å
442W95Very high94.8Very high67 Ų6769.6 Ų69.625%0.25434%0.336SS..G310 helixtrans-64.1-29.4177.160.887.4000113.2Y355 F357 R385 E388 A389 A440 R444 R445Y355-W442 HydrophobicContact CD1-CZ2 4.25Å; Y355-W442 PolarHBondContact O-NE1 3.16Å; F357-W442 AromaticContact CE2-NE1 3.94Å; R385-W442 HydrophobicContact CB-CD2 4.31Å; R385-W442 HydrophobicContact CB-CZ2 4.46Å; R385-W442 HydrophobicContact CG-CD2 3.95Å; R385-W442 HydrophobicContact CG-CE3 4.11Å; R385-W442 HydrophobicContact CG-CG 4.17Å; R385-W442 WeakPolarHBondContact O-CZ2 3.48Å; E388-W442 HydrophobicContact CB-CH2 3.59Å; E388-W442 HydrophobicContact CB-CZ2 4.39Å; E388-W442 HydrophobicContact CB-CZ3 4.35Å; E388-W442 VanDerWaalsContact OE2-CZ3 3.28Å; E388-W442 WeakPolarHBondContact OE2-CZ3 3.17Å; A389-W442 HydrophobicContact CB-CZ2 4.29Å; A440-W442 VanDerWaalsContact C-N 3.34Å; A440-W442 HydrophobicContact CB-CD2 3.66Å; A440-W442 HydrophobicContact CB-CE3 3.8Å; A440-W442 HydrophobicContact CB-CG 4.47Å; A440-W442 HydrophobicContact CB-CH2 3.45Å; A440-W442 VanDerWaalsContact CB-CH2 3.45Å; A440-W442 HydrophobicContact CB-CZ2 3.3Å; A440-W442 HydrophobicContact CB-CZ3 3.71Å; A440-W442 PolarHBondContact O-N 3.39Å; W442-R444 PolarHBondContact O-N 2.82Å; W442-R445 PolarHBondContact O-N 3.02Å; W442-R445 VanDerWaalsContact O-N 3.12Å
443S93.2Very high94.8Very high3 Ų367.6 Ų67.62%0.02132%0.32CS..G310 helixtrans-69.4-3.2-179.668.20000113.7Y438 A440 E441 R445Y438-S443 WeakPolarHBondContact CA-OG 3.16Å; Y438-S443 WeakPolarHBondContact CB-OG 3.33Å; A440-S443 PolarHBondContact N-OG 2.81Å; A440-S443 VanDerWaalsContact N-OG 3.15Å; A440-S443 WeakPolarHBondContact O-CB 3.37Å; A440-S443 PolarHBondContact O-N 3.19Å; A440-S443 VanDerWaalsContact O-N 3.08Å; A440-S443 PolarHBondContact O-OG 3.16Å; E441-S443 VanDerWaalsContact C-N 3.26Å; E441-S443 PolarHBondContact O-N 2.8Å; S443-R445 VanDerWaalsContact C-N 3.3Å
444R88.7Confident94.9Very high179 Ų17968.5 Ų68.568%0.67533%0.33SS*.G310 helixtrans-66.2-28.7168-68.3-179.2179.3-129.65.1113Y438 E441 W442 K446Y438-R444 HydrophobicContact CD2-CG 4.43Å; Y438-R444 HydrophobicContact CG-CG 4.45Å; E441-R444 WeakPolarHBondContact O-CB 3.42Å; E441-R444 WeakPolarHBondContact O-CG 3.31Å; E441-R444 PolarHBondContact O-N 3.45Å; W442-R444 PolarHBondContact O-N 2.82Å; R444-K446 PolarHBondContact O-N 3.07Å
445R89.1Confident95Very high205 Ų20571.6 Ų71.677%0.77434%0.344SS*.SBendtrans-77.276.7163.8-175.2-179.2171.8-171.1-8.2107.4W442 S443 V447W442-R445 PolarHBondContact O-N 3.02Å; W442-R445 VanDerWaalsContact O-N 3.12Å; S443-R445 VanDerWaalsContact C-N 3.3Å; R445-V447 PolarHBondContact O-N 3.42Å
446K90.9Very high95Very high43 Ų4374.5 Ų74.519%0.18736%0.356CS..PPolyproline II helixtrans-82.3122.6-162.4-172.762.4178.3-1750112.2D354 S437 R444 W448D354-K446 PolarHBondContact O-NZ 3.24Å; S437-K446 WeakPolarHBondContact O-CD 3.23Å; S437-K446 WeakPolarHBondContact O-CE 3.35Å; S437-K446 PolarHBondContact O-NZ 3.4Å; R444-K446 PolarHBondContact O-N 3.07Å; K446-W448 HydrophobicContact CG-CD2 3.68Å; K446-W448 VanDerWaalsContact CG-CE2 3.49Å; K446-W448 HydrophobicContact CG-CE3 4.24Å; K446-W448 HydrophobicContact CG-CG 3.97Å; K446-W448 HydrophobicContact CG-CH2 4.47Å; K446-W448 HydrophobicContact CG-CZ2 3.93Å
447V91Very high95Very high33 Ų3378.7 Ų78.720%0.238%0.383CS..PPolyproline II helixtrans-91.5121.6155.2-172.60000107.5V14 D18 R445V14-V447 HydrophobicContact CG2-CB 4.24Å; V14-V447 HydrophobicContact CG2-CG1 3.58Å; D18-V447 HydrophobicContact CB-CG2 4.04Å; R445-V447 PolarHBondContact O-N 3.42Å
448W96.1Very high95.2Very high80 Ų8085.3 Ų85.330%0.30341%0.408SS..PPolyproline II helixtrans-89129.6-176.5-75.4102000110.6I419 V422 K446 A450I419-W448 HydrophobicContact CB-CD2 3.86Å; I419-W448 HydrophobicContact CB-CE3 3.98Å; I419-W448 HydrophobicContact CB-CG 4.21Å; I419-W448 HydrophobicContact CB-CZ3 4.39Å; I419-W448 HydrophobicContact CG1-CD2 4.37Å; I419-W448 HydrophobicContact CG1-CZ2 4.35Å; V422-W448 HydrophobicContact CB-CH2 4.15Å; V422-W448 HydrophobicContact CB-CZ3 4.24Å; V422-W448 HydrophobicContact CG1-CH2 4.19Å; V422-W448 HydrophobicContact CG2-CH2 4.24Å; V422-W448 HydrophobicContact CG2-CZ3 3.95Å; K446-W448 HydrophobicContact CG-CD2 3.68Å; K446-W448 VanDerWaalsContact CG-CE2 3.49Å; K446-W448 HydrophobicContact CG-CE3 4.24Å; K446-W448 HydrophobicContact CG-CG 3.97Å; K446-W448 HydrophobicContact CG-CH2 4.47Å; K446-W448 HydrophobicContact CG-CZ2 3.93Å; W448-A450 PolarHBondContact O-N 2.88Å
449P97.1Very high95.2Very high19 Ų1981.9 Ų81.912%0.12341%0.405CS..PPolyproline II helixtrans-55123.6163.8-22.633.2000109.5M353 P416 T418 V451M353-P449 HydrophobicContact CB-CG 4.22Å; P416-P449 HydrophobicContact CB-CB 3.78Å; P416-P449 HydrophobicContact CB-CG 3.72Å; P416-P449 HydrophobicContact CG-CB 4.14Å; T418-P449 WeakPolarHBondContact CG2-O 3.36Å; P449-V451 VanDerWaalsContact C-N 3.28Å; P449-V451 PolarHBondContact O-N 3.25Å
450A96.3Very high95.2Very high59 Ų5987.3 Ų87.349%0.48843%0.432SS..SBendtrans-69.1-29.1-176.100000112.7K12 W448K12-A450 HydrophobicContact CB-CB 3.95Å; K12-A450 HydrophobicContact CD-CB 4.28Å; K12-A450 HydrophobicContact CG-CB 3.94Å; W448-A450 PolarHBondContact O-N 2.88Å
451V97.5Very high95.2Very high94 Ų9491.9 Ų91.957%0.5746%0.459SS*.SBendtrans-137.1160.1179.2-64.10000110.6T418 P449T418-V451 VanDerWaalsContact CG2-O 3.31Å; T418-V451 WeakPolarHBondContact CG2-O 3.45Å; P449-V451 VanDerWaalsContact C-N 3.28Å; P449-V451 PolarHBondContact O-N 3.25Å
452S96Very high95.2Very high64 Ų6487.9 Ų87.945%0.44844%0.443SS..SBendtrans-71.3-176.3171.955.80000110.7T418 I454T418-S452 VanDerWaalsContact CG2-N 3.28Å; S452-I454 PolarHBondContact O-N 2.93Å
453R97.6Very high95.3Very high80 Ų8091 Ų9130%0.30246%0.464SS..  trans-53.2130.5176.8-173.9173-68.4-152.24.4110.4D347 L412 A415D347-R453 IonicContact OD1-CZ 2.82Å; D347-R453 VanDerWaalsContact OD1-CZ 3.25Å; D347-R453 IonicContact OD1-NH1 3.75Å; D347-R453 PolarHBondContact OD1-NH1 2.81Å; D347-R453 IonicContact OD1-NH2 3.29Å; D347-R453 PolarHBondContact OD1-NH2 3.08Å; L412-R453 PolarHBondContact O-NH2 3.46Å; A415-R453 PolarHBondContact O-NE 3.44Å; A415-R453 PolarHBondContact O-NH2 3.07Å
454I97.8Very high95.3Very high107 Ų10795.7 Ų95.755%0.54949%0.492SS..  trans-73138.8179.8-62.2171.5000108.9S452 E456S452-I454 PolarHBondContact O-N 2.93Å; I454-E456 HydrophobicContact CG2-CG 4.29Å; I454-E456 PolarHBondContact O-N 3.25Å
455D97.5Very high95.6Very high104 Ų10492.2 Ų92.256%0.55649%0.494SS*.  trans-89.493.3168.9-170.1-26.4000108.5P457 Y458D455-P457 WeakPolarHBondContact OD1-CD 3.48Å; D455-Y458 VanDerWaalsContact CG-CB 3.43Å; D455-Y458 WeakPolarHBondContact OD1-CB 3.45Å; D455-Y458 PolarHBondContact OD1-N 3.43Å; D455-Y458 VanDerWaalsContact OD1-N 3.11Å
456E96.2Very high95.8Very high122 Ų12288 Ų8857%0.5749%0.492SS*.Hα-helixtrans-64.3-49.6-175.8-60.5175176.300111.8I454 Y458 G459 D460I454-E456 HydrophobicContact CG2-CG 4.29Å; I454-E456 PolarHBondContact O-N 3.25Å; E456-Y458 VanDerWaalsContact C-N 3.31Å; E456-Y458 PolarHBondContact O-N 3.38Å; E456-G459 PolarHBondContact O-N 2.93Å; E456-D460 PolarHBondContact O-N 3.45Å
457P97Very high95.8Very high88 Ų8894.3 Ų94.357%0.57153%0.526SS*.Hα-helixtrans-61.4-33.6179-24.235000114.6D455 G459 D460 T461D455-P457 WeakPolarHBondContact OD1-CD 3.48Å; P457-G459 VanDerWaalsContact C-N 3.33Å; P457-G459 PolarHBondContact O-N 3.34Å; P457-D460 PolarHBondContact O-N 2.67Å; P457-T461 WeakPolarHBondContact O-CG2 3.37Å; P457-T461 PolarHBondContact O-N 2.98Å; P457-T461 VanDerWaalsContact O-N 3.16Å; P457-T461 PolarHBondContact O-OG1 2.99Å
458Y97.8Very high95.4Very high143 Ų14395.5 Ų95.556%0.56154%0.536SS*.Hα-helixtrans-62-42.1178.3179.5-90.2000111.9D455 E456 T461 N462D455-Y458 VanDerWaalsContact CG-CB 3.43Å; D455-Y458 WeakPolarHBondContact OD1-CB 3.45Å; D455-Y458 PolarHBondContact OD1-N 3.43Å; D455-Y458 VanDerWaalsContact OD1-N 3.11Å; E456-Y458 VanDerWaalsContact C-N 3.31Å; E456-Y458 PolarHBondContact O-N 3.38Å; Y458-T461 WeakPolarHBondContact CA-OG1 3.3Å; Y458-T461 PolarHBondContact O-N 3.18Å; Y458-T461 PolarHBondContact O-OG1 3.23Å; Y458-T461 VanDerWaalsContact O-OG1 3.08Å; Y458-N462 HydrophobicContact CE1-CB 4.12Å; Y458-N462 WeakPolarHBondContact CE2-ND2 3.11Å; Y458-N462 WeakPolarHBondContact O-CB 3.44Å; Y458-N462 PolarHBondContact O-N 2.86Å; Y458-N462 PolarHBondContact O-ND2 3.24Å
459G95.9Very high94.1Very high33 Ų3396.6 Ų96.634%0.3456%0.562SS.*Hα-helixtrans-62.4-43.5-18000000112.6E456 P457 T461 N462 L463E456-G459 PolarHBondContact O-N 2.93Å; P457-G459 VanDerWaalsContact C-N 3.33Å; P457-G459 PolarHBondContact O-N 3.34Å; G459-T461 VanDerWaalsContact C-N 3.32Å; G459-T461 PolarHBondContact O-N 2.87Å; G459-N462 CarbonylContact O-C 3.55Å; G459-N462 PolarHBondContact O-N 3.33Å; G459-L463 PolarHBondContact O-N 2.83Å
460D96.8Very high92.5Very high139 Ų139102.6 Ų102.674%0.74359%0.593SS**Hα-helixtrans-68.2-32.1179.1-70.3-13.2000112.6E456 P457E456-D460 PolarHBondContact O-N 3.45Å; P457-D460 PolarHBondContact O-N 2.67Å
461T97Very high90.6Very high107 Ų107103.9 Ų103.966%0.65660%0.604SS**Hα-helixtrans-85.5-16.8179.152.10000113.8P457 Y458 G459P457-T461 WeakPolarHBondContact O-CG2 3.37Å; P457-T461 PolarHBondContact O-N 2.98Å; P457-T461 VanDerWaalsContact O-N 3.16Å; P457-T461 PolarHBondContact O-OG1 2.99Å; Y458-T461 WeakPolarHBondContact CA-OG1 3.3Å; Y458-T461 PolarHBondContact O-N 3.18Å; Y458-T461 PolarHBondContact O-OG1 3.23Å; Y458-T461 VanDerWaalsContact O-OG1 3.08Å; G459-T461 VanDerWaalsContact C-N 3.32Å; G459-T461 PolarHBondContact O-N 2.87Å
462N95.3Very high87.9Confident76 Ų76106.1 Ų106.141%0.40665%0.646SS.*SBendtrans-130.661.3-179.7-59.8-88.9000109.9Y458 G459 V464Y458-N462 HydrophobicContact CE1-CB 4.12Å; Y458-N462 WeakPolarHBondContact CE2-ND2 3.11Å; Y458-N462 WeakPolarHBondContact O-CB 3.44Å; Y458-N462 PolarHBondContact O-N 2.86Å; Y458-N462 PolarHBondContact O-ND2 3.24Å; G459-N462 CarbonylContact O-C 3.55Å; G459-N462 PolarHBondContact O-N 3.33Å; N462-V464 PolarHBondContact O-N 3.11Å
463L95.4Very high87.4Confident132 Ų132108.2 Ų108.269%0.69166%0.655SS**  trans-65.3106.3-169.8-171.666.1000112.5G459 C465G459-L463 PolarHBondContact O-N 2.83Å; L463-C465 WeakPolarHBondContact CD1-SG 3.31Å; L463-C465 VanDerWaalsContact CG-SG 3.55Å
464V94Very high86.9Confident103 Ų103109.7 Ų109.762%0.62467%0.674SS**  trans-120.8100.5173.4-179.40000109N462N462-V464 PolarHBondContact O-N 3.11Å
465C94.8Very high86.3Confident105 Ų105109.8 Ų109.871%0.70968%0.681SS**  trans-99.18.7-175.3-600000114.3L463L463-C465 WeakPolarHBondContact CD1-SG 3.31Å; L463-C465 VanDerWaalsContact CG-SG 3.55Å
466T94Very high85.6Confident118 Ų118110.2 Ų110.272%0.72469%0.688SS**SBendtrans-130.7166.8178.263.30000109.8S468T466-S468 PolarHBondContact O-N 3.48Å; T466-S468 VanDerWaalsContact O-N 3.1Å
467L90.3Very high85Confident174 Ų174109.4 Ų109.491%0.91170%0.696SS**  trans-59.9117.7174.4-64.4173.2000109
468S82Confident84.2Confident59 Ų59110.9 Ų110.941%0.41370%0.704SS.*  trans-66.1135.7171.7177.70000109.6T466 D470 A471T466-S468 PolarHBondContact O-N 3.48Å; T466-S468 VanDerWaalsContact O-N 3.1Å; S468-D470 PolarHBondContact O-N 2.94Å; S468-D470 PolarHBondContact OG-N 3.15Å; S468-A471 WeakPolarHBondContact O-CB 3.2Å; S468-A471 PolarHBondContact O-N 3.14Å
469A70.3Confident83.2Confident103 Ų103108.6 Ų108.685%0.85171%0.714SS**THydrogen-bonded Turntrans-63.4-22.5175.400000112.5A471A469-A471 VanDerWaalsContact C-N 3.31Å; A469-A471 PolarHBondContact O-N 2.83Å
470D63.3Low82.2Confident145 Ų145114.4 Ų114.478%0.77574%0.743SS**THydrogen-bonded Turntrans-88.912.1-177.8-61.7-32.5000113.4S468 G472S468-D470 PolarHBondContact O-N 2.94Å; S468-D470 PolarHBondContact OG-N 3.15Å; D470-G472 PolarHBondContact O-N 3.11Å
471A55.8Low81Confident86 Ų86112.3 Ų112.371%0.71174%0.743SS**  trans-90.416.6-175.500000115.3S468 A469S468-A471 WeakPolarHBondContact O-CB 3.2Å; S468-A471 PolarHBondContact O-N 3.14Å; A469-A471 VanDerWaalsContact C-N 3.31Å; A469-A471 PolarHBondContact O-N 2.83Å
472G40Very low79.6Confident140 Ų140112.8 Ų112.8100%1.44375%0.751SS**  trans-101.20172.400000111.6D470D470-G472 PolarHBondContact O-N 3.11Å

Retrieved 472 of 472 residues in 898.3 ms (Link to these results)

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