A0A3Q0KV31_SCHMA Loading...

CCR4-NOT transcription complex subunit 4

AlphaFold DB , UniProt , Accession A0A3Q0KV31, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 973 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
1M34.2Very low63.3Low235 Ų235113.2 Ų113.2100%1.15859%0.586SS**  0124.70-73.6-57.7-17600108.4
2C40.6Very low65.5Low125 Ų125107.5 Ų107.585%0.84556%0.562SS**  trans-112.5107.2163.9-64.30000106.2E4C2-E4 PolarHBondContact O-N 2.79Å; C2-E4 VanDerWaalsContact O-N 3.11Å
3T40.3Very low67.2Low118 Ų118110.2 Ų110.272%0.72457%0.573SS**  trans-69.2102.9168.536.50000107.4E5T3-E5 PolarHBondContact O-N 2.99Å
4E51.1Low68.6Low134 Ų134110.5 Ų110.563%0.62657%0.57SS**  trans-68.870.2165.3-71.5-174.4169.900107.8C2 K6 R81C2-E4 PolarHBondContact O-N 2.79Å; C2-E4 VanDerWaalsContact O-N 3.11Å; E4-K6 PolarHBondContact O-N 3.04Å; E4-R81 IonicContact OE1-CZ 2.76Å; E4-R81 IonicContact OE1-NH2 3.42Å; E4-R81 PolarHBondContact OE1-NH2 3.34Å
5E50.9Low69.7Low171 Ų171107.9 Ų107.980%0.79956%0.563SS**  trans-64.684.5166-72.6-168.9147.300107.4T3 E7T3-E5 PolarHBondContact O-N 2.99Å; E5-E7 PolarHBondContact O-N 3.12Å
6K55.5Low70.6Confident145 Ų145101.7 Ų101.763%0.6353%0.531SS*.  trans-57.9111-175.2-173.4-176.4174.4-1590108.5E4 M8 P15E4-K6 PolarHBondContact O-N 3.04Å; K6-M8 PolarHBondContact O-N 3.49Å; K6-M8 VanDerWaalsContact O-N 3.1Å; K6-P15 HydrophobicContact CD-CB 3.65Å; K6-P15 HydrophobicContact CD-CG 4.22Å; K6-P15 VanDerWaalsContact CE-CB 3.43Å; K6-P15 HydrophobicContact CG-CB 4.04Å
7E73.3Confident71.3Confident87 Ų87102 Ų10241%0.40753%0.529SS..  trans-38.4115.6-175.8-68.7175.4-129.500110.6E5 M16 I21 Q31E5-E7 PolarHBondContact O-N 3.12Å; E7-M16 WeakPolarHBondContact O-CB 3.43Å; E7-M16 WeakPolarHBondContact O-CG 3.3Å; E7-M16 PolarHBondContact O-N 2.95Å; E7-I21 HydrophobicContact CB-CD1 4.49Å; E7-I21 HydrophobicContact CB-CG1 4.23Å; E7-I21 WeakPolarHBondContact OE2-CG2 3.41Å; E7-Q31 PolarHBondContact OE2-NE2 3.37Å
8M87.1Confident71.8Confident93 Ų9398.3 Ų98.346%0.45852%0.516SS..BIsolated β-bridgetrans-118.7139.4-172.468.686.5156.900110.2K6 P10 M13 E14K6-M8 PolarHBondContact O-N 3.49Å; K6-M8 VanDerWaalsContact O-N 3.1Å; M8-P10 WeakPolarHBondContact O-CD 3.48Å; M8-M13 HydrophobicContact CE-CE 4.45Å; M8-M13 HydrophobicContact SD-CB 4.35Å; M8-M13 HydrophobicContact SD-CG 4.49Å; M8-E14 CarbonylContact C-O 3.48Å; M8-E14 WeakPolarHBondContact CA-O 3.5Å
9C89.2Confident72.3Confident0 Ų096.8 Ų96.80%051%0.508CS..  trans-67.7121.3-177.6175.60000108.8L11 C12 M13 E14 M16 C33C9-L11 PolarHBondContact O-N 3.33Å; C9-C12 VanDerWaalsContact CB-SG 3.56Å; C9-C12 PolarHBondContact O-N 3.01Å; C9-M13 VanDerWaalsContact O-CA 3.23Å; C9-M13 WeakPolarHBondContact O-CA 3.33Å; C9-M13 PolarHBondContact O-N 2.78Å; C9-E14 PolarHBondContact N-O 3Å; C9-M16 HydrophobicContact CB-CG 4.02Å; C9-M16 HydrophobicContact CB-SD 4.32Å; C9-C33 HydrophobicContact CB-CB 3.96Å; C9-C33 PolarHBondContact SG-N 2.94Å
10P86.9Confident73Confident62 Ų6292.2 Ų92.240%0.40348%0.484SS..THydrogen-bonded Turntrans-68-0.1-174.528.2-36.4000114.4M8 Y30 Q31 V32M8-P10 WeakPolarHBondContact O-CD 3.48Å; P10-Y30 HydrophobicContact CG-CE1 4.18Å; P10-Y30 HydrophobicContact CG-CE2 4.02Å; P10-Y30 VanDerWaalsContact CG-OH 3.3Å; P10-Y30 WeakPolarHBondContact CG-OH 3.5Å; P10-Q31 WeakPolarHBondContact CD-O 3.46Å; P10-Q31 WeakPolarHBondContact CG-O 3.2Å; P10-V32 HydrophobicContact CG-CG1 4.35Å
11L86.8Confident73.5Confident75 Ų7590.6 Ų90.639%0.39348%0.475SS..THydrogen-bonded Turntrans-107.4-38.5-178-60.3174.3000113.7C9 V32 C36 I40 P49C9-L11 PolarHBondContact O-N 3.33Å; L11-V32 HydrophobicContact CD1-CB 4.15Å; L11-V32 HydrophobicContact CD1-CG1 3.52Å; L11-V32 HydrophobicContact CG-CG1 4.07Å; L11-C36 HydrophobicContact CB-CB 4.12Å; L11-C36 HydrophobicContact CD1-CB 3.78Å; L11-I40 HydrophobicContact CD1-CD1 3.67Å; L11-P49 HydrophobicContact CD1-CG 4.26Å; L11-P49 HydrophobicContact CD2-CG 4.27Å
12C90.3Very high75.7Confident45 Ų4580.2 Ų80.230%0.30443%0.426SS..THydrogen-bonded Turntrans-107.2-8.8174.560.60000113.7C9 E14 C36C9-C12 VanDerWaalsContact CB-SG 3.56Å; C9-C12 PolarHBondContact O-N 3.01Å; C12-E14 HydrophobicContact CB-CG 4.1Å; C12-E14 PolarHBondContact O-N 2.88Å; C12-E14 PolarHBondContact SG-OE2 2.71Å; C12-C36 VanDerWaalsContact SG-SG 3.68Å
13M87.1Confident77.7Confident143 Ų14375.1 Ų75.170%0.70439%0.389SS*.  trans60.413.7-173.7-55.4178.866.600114.6M8 C9M8-M13 HydrophobicContact CE-CE 4.45Å; M8-M13 HydrophobicContact SD-CB 4.35Å; M8-M13 HydrophobicContact SD-CG 4.49Å; C9-M13 VanDerWaalsContact O-CA 3.23Å; C9-M13 WeakPolarHBondContact O-CA 3.33Å; C9-M13 PolarHBondContact O-N 2.78Å
14E86.4Confident79.9Confident114 Ų11473 Ų7353%0.53337%0.368SS..PPolyproline II helixtrans-84.4146.2177.3-60175.3122.700111.3M8 C9 C12 M16M8-E14 CarbonylContact C-O 3.48Å; M8-E14 WeakPolarHBondContact CA-O 3.5Å; C9-E14 PolarHBondContact N-O 3Å; C12-E14 HydrophobicContact CB-CG 4.1Å; C12-E14 PolarHBondContact O-N 2.88Å; C12-E14 PolarHBondContact SG-OE2 2.71Å; E14-M16 PolarHBondContact O-N 3.42Å
15P86.1Confident81.5Confident71 Ų7167.3 Ų67.346%0.46134%0.343SS..BIsolated β-bridgetrans-64.6128.2175.2-18.831.6000111.8K6K6-P15 HydrophobicContact CD-CB 3.65Å; K6-P15 HydrophobicContact CD-CG 4.22Å; K6-P15 VanDerWaalsContact CE-CB 3.43Å; K6-P15 HydrophobicContact CG-CB 4.04Å
16M83.7Confident83.1Confident9 Ų959.6 Ų59.64%0.04431%0.308CS..PPolyproline II helixtrans-68.7143.9-175.7-60.9-173.464.500111.7E7 C9 E14 D20 I21 Q31 C33E7-M16 WeakPolarHBondContact O-CB 3.43Å; E7-M16 WeakPolarHBondContact O-CG 3.3Å; E7-M16 PolarHBondContact O-N 2.95Å; C9-M16 HydrophobicContact CB-CG 4.02Å; C9-M16 HydrophobicContact CB-SD 4.32Å; E14-M16 PolarHBondContact O-N 3.42Å; M16-D20 HydrophobicContact CB-CB 3.87Å; M16-D20 HydrophobicContact CE-CB 3.7Å; M16-D20 WeakPolarHBondContact CE-O 3.47Å; M16-I21 HydrophobicContact CB-CG1 4.11Å; M16-Q31 HydrophobicContact CE-CG 3.81Å; M16-Q31 HydrophobicContact SD-CG 4.14Å; M16-C33 HydrophobicContact CE-CB 4.46Å
17E83Confident84.4Confident107 Ų10757.9 Ų57.950%0.531%0.306SS..PPolyproline II helixtrans-70.9165.2174.6-63.7-164.2161.500112D19 D20 I21E17-D19 PolarHBondContact O-N 2.95Å; E17-D20 HydrophobicContact CB-CB 4.37Å; E17-D20 PolarHBondContact N-OD2 2.9Å; E17-D20 VanDerWaalsContact N-OD2 3.11Å; E17-D20 WeakPolarHBondContact O-CB 3.16Å; E17-D20 PolarHBondContact O-N 3.34Å; E17-D20 VanDerWaalsContact O-N 3.1Å; E17-I21 WeakPolarHBondContact O-CG1 3.33Å; E17-I21 PolarHBondContact O-N 3.44Å
18A80.6Confident85Confident36 Ų3656.5 Ų56.530%0.29831%0.305SS..Hα-helixtrans-60.7-29.817900000113
19D80.2Confident84.8Confident69 Ų6961.4 Ų61.437%0.36932%0.319SS..Hα-helixtrans-73-47.3172.5-70.58.9000111.1E17 I21 S22 F23 R34E17-D19 PolarHBondContact O-N 2.95Å; D19-I21 VanDerWaalsContact C-N 3.29Å; D19-I21 PolarHBondContact O-N 2.8Å; D19-S22 PolarHBondContact O-N 2.91Å; D19-S22 PolarHBondContact O-OG 3.25Å; D19-F23 PolarHBondContact O-N 3.48Å; D19-R34 IonicContact OD2-CZ 3.61Å; D19-R34 IonicContact OD2-NH1 2.79Å; D19-R34 IonicContact OD2-NH2 2.65Å; D19-R34 PolarHBondContact OD2-NH2 3.18Å
20D86.7Confident84.7Confident5 Ų564.4 Ų64.43%0.02733%0.331CS..Hα-helixtrans-58.9-37.8-179.1-71.4-33.8000112.4M16 E17 S22 F23 C33 R34M16-D20 HydrophobicContact CB-CB 3.87Å; M16-D20 HydrophobicContact CE-CB 3.7Å; M16-D20 WeakPolarHBondContact CE-O 3.47Å; E17-D20 HydrophobicContact CB-CB 4.37Å; E17-D20 PolarHBondContact N-OD2 2.9Å; E17-D20 VanDerWaalsContact N-OD2 3.11Å; E17-D20 WeakPolarHBondContact O-CB 3.16Å; E17-D20 PolarHBondContact O-N 3.34Å; E17-D20 VanDerWaalsContact O-N 3.1Å; D20-S22 PolarHBondContact O-N 3.1Å; D20-F23 VanDerWaalsContact O-CB 3.31Å; D20-F23 WeakPolarHBondContact O-CB 3.49Å; D20-F23 PolarHBondContact O-N 3.16Å; D20-C33 HydrophobicContact CB-CB 4.43Å; D20-C33 WeakPolarHBondContact OD2-CB 3.5Å; D20-R34 WeakPolarHBondContact OD1-CB 3.49Å; D20-R34 PolarHBondContact OD1-N 3.35Å
21I83.1Confident84.8Confident59 Ų5963.6 Ų63.630%0.30332%0.321SS..Hα-helixtrans-55-37.5176.4-74.7169.6000111E7 M16 E17 D19 Q31E7-I21 HydrophobicContact CB-CD1 4.49Å; E7-I21 HydrophobicContact CB-CG1 4.23Å; E7-I21 WeakPolarHBondContact OE2-CG2 3.41Å; M16-I21 HydrophobicContact CB-CG1 4.11Å; E17-I21 WeakPolarHBondContact O-CG1 3.33Å; E17-I21 PolarHBondContact O-N 3.44Å; D19-I21 VanDerWaalsContact C-N 3.29Å; D19-I21 PolarHBondContact O-N 2.8Å; I21-Q31 PolarHBondContact O-NE2 3.23Å
22S81Confident84.8Confident16 Ų1660 Ų6011%0.11230%0.302CS..THydrogen-bonded Turntrans-88.53.5177.968.50000114.7D19 D20 Y63D19-S22 PolarHBondContact O-N 2.91Å; D19-S22 PolarHBondContact O-OG 3.25Å; D20-S22 PolarHBondContact O-N 3.1Å; S22-Y63 WeakPolarHBondContact OG-CD2 3.43Å; S22-Y63 WeakPolarHBondContact OG-CE2 3.48Å
23F82.7Confident84.8Confident18 Ų1858.1 Ų58.18%0.07929%0.29CS..  trans-101.2106.3-172.1-177.4-102000111.7D19 D20 P25 W37 A61D19-F23 PolarHBondContact O-N 3.48Å; D20-F23 VanDerWaalsContact O-CB 3.31Å; D20-F23 WeakPolarHBondContact O-CB 3.49Å; D20-F23 PolarHBondContact O-N 3.16Å; F23-P25 HydrophobicContact CD1-CG 4.29Å; F23-P25 HydrophobicContact CE1-CB 3.78Å; F23-P25 HydrophobicContact CE1-CG 3.83Å; F23-P25 HydrophobicContact CZ-CB 4.01Å; F23-P25 WeakPolarHBondContact O-CD 3.35Å; F23-W37 HydrophobicContact CE1-CB 3.86Å; F23-W37 AromaticContact CE1-CD2 3.91Å; F23-W37 HydrophobicContact CE1-CD2 3.91Å; F23-W37 HydrophobicContact CE1-CE3 4.21Å; F23-W37 AromaticContact CE1-CG 3.76Å; F23-W37 HydrophobicContact CE1-CG 3.76Å; F23-W37 HydrophobicContact CZ-CB 4.43Å; F23-W37 AromaticContact CZ-CD2 3.56Å; F23-W37 HydrophobicContact CZ-CD2 3.56Å; F23-W37 AromaticContact CZ-CE2 3.97Å; F23-W37 AromaticContact CZ-CE3 3.65Å; F23-W37 HydrophobicContact CZ-CE3 3.65Å; F23-W37 AromaticContact CZ-CG 3.93Å; F23-W37 HydrophobicContact CZ-CG 3.93Å; F23-W37 HydrophobicContact CZ-CH2 4.48Å; F23-W37 HydrophobicContact CZ-CZ2 4.41Å; F23-W37 HydrophobicContact CZ-CZ3 4.12Å; F23-A61 HydrophobicContact CD2-CB 3.75Å; F23-A61 HydrophobicContact CE2-CB 3.28Å; F23-A61 HydrophobicContact CZ-CB 3.76Å
24Y85.6Confident84.9Confident73 Ų7356.5 Ų56.529%0.28628%0.276SS..  trans-112.498.9174.4-59.6-76.7000109.9C26 R29 Q31 A61 S62Y24-C26 VanDerWaalsContact C-N 3.3Å; Y24-C26 PolarHBondContact O-N 3.36Å; Y24-R29 HydrophobicContact CD1-CB 4.1Å; Y24-R29 HydrophobicContact CE1-CB 4.48Å; Y24-Q31 HydrophobicContact CD1-CG 4.38Å; Y24-Q31 HydrophobicContact CE1-CB 4.19Å; Y24-Q31 HydrophobicContact CE1-CG 3.89Å; Y24-A61 CarbonylContact O-C 3.57Å; Y24-A61 WeakPolarHBondContact O-CA 3.19Å; Y24-A61 WeakPolarHBondContact O-CB 3.47Å; Y24-S62 PolarHBondContact O-N 2.93Å
25P84.2Confident85.1Confident15 Ų1558.1 Ų58.110%0.09728%0.281CS..  trans-77.3-11.3-175.428.5-33.3000114.6F23 V32 W37 Y55 A61F23-P25 HydrophobicContact CD1-CG 4.29Å; F23-P25 HydrophobicContact CE1-CB 3.78Å; F23-P25 HydrophobicContact CE1-CG 3.83Å; F23-P25 HydrophobicContact CZ-CB 4.01Å; F23-P25 WeakPolarHBondContact O-CD 3.35Å; P25-V32 HydrophobicContact CG-CG2 3.65Å; P25-W37 HydrophobicContact CB-CD2 4.48Å; P25-W37 HydrophobicContact CB-CG 3.94Å; P25-W37 VanDerWaalsContact CB-NE1 3.35Å; P25-W37 HydrophobicContact CG-CG 4.26Å; P25-Y55 HydrophobicContact CB-CD1 4.06Å; P25-Y55 HydrophobicContact CB-CE1 3.68Å; P25-Y55 HydrophobicContact CG-CE1 3.9Å; P25-Y55 VanDerWaalsContact O-CD1 3.3Å; P25-Y55 WeakPolarHBondContact O-CD1 3.29Å; P25-A61 HydrophobicContact CB-CB 4.3Å
26C84.6Confident85.3Confident10 Ų1055.6 Ų55.67%0.06827%0.265CS..SBendtrans-135.5147.1177.1-173.10000111.7Y24 C28 R29 C48 C51 Y55Y24-C26 VanDerWaalsContact C-N 3.3Å; Y24-C26 PolarHBondContact O-N 3.36Å; C26-C28 PolarHBondContact O-N 2.61Å; C26-R29 PolarHBondContact O-N 3.24Å; C26-C48 HydrophobicContact CB-CB 3.87Å; C26-C51 PolarHBondContact SG-SG 3.42Å; C26-Y55 HydrophobicContact CB-CD1 4.22Å; C26-Y55 HydrophobicContact CB-CE1 3.89Å
27D82.7Confident85.6Confident109 Ų10958.6 Ų58.658%0.58328%0.276SS*.THydrogen-bonded Turntrans-56.8-19.5-180-60.6-50.8000114R29D27-R29 PolarHBondContact O-N 3.18Å
28C86.7Confident85.9Confident58 Ų5855 Ų5539%0.39227%0.265SS..THydrogen-bonded Turntrans-71.8-7.5173.469.20000114.1C26 Y30 C48 C51C26-C28 PolarHBondContact O-N 2.61Å; C28-Y30 VanDerWaalsContact C-N 3.25Å; C28-Y30 PolarHBondContact O-N 3.42Å; C28-C48 PolarHBondContact SG-SG 3.05Å; C28-C51 HydrophobicContact CB-CB 3.97Å; C28-C51 VanDerWaalsContact SG-SG 3.67Å
29R83.2Confident86.3Confident195 Ų19558.9 Ų58.974%0.73628%0.275SS*.  trans61.622.6-176.8-48.5-173.4-171.1117.95.1115.4Y24 C26 D27 Q31Y24-R29 HydrophobicContact CD1-CB 4.1Å; Y24-R29 HydrophobicContact CE1-CB 4.48Å; C26-R29 PolarHBondContact O-N 3.24Å; D27-R29 PolarHBondContact O-N 3.18Å; R29-Q31 PolarHBondContact O-N 3.26Å
30Y87.1Confident86.7Confident64 Ų6455.9 Ų55.925%0.25126%0.259SS..  trans-66.3117.4168.3-171.5-112.7000109.7P10 C28 V32 P49 A50P10-Y30 HydrophobicContact CG-CE1 4.18Å; P10-Y30 HydrophobicContact CG-CE2 4.02Å; P10-Y30 VanDerWaalsContact CG-OH 3.3Å; P10-Y30 WeakPolarHBondContact CG-OH 3.5Å; C28-Y30 VanDerWaalsContact C-N 3.25Å; C28-Y30 PolarHBondContact O-N 3.42Å; Y30-V32 HydrophobicContact CD1-CG1 3.7Å; Y30-V32 HydrophobicContact CE1-CG1 3.49Å; Y30-V32 VanDerWaalsContact CE1-CG1 3.49Å; Y30-P49 HydrophobicContact CD1-CB 4.43Å; Y30-P49 HydrophobicContact CE1-CB 3.82Å; Y30-P49 HydrophobicContact CE1-CG 4.02Å; Y30-A50 HydrophobicContact CD1-CB 4.13Å; Y30-A50 HydrophobicContact CD2-CB 3.57Å; Y30-A50 HydrophobicContact CE2-CB 4.16Å; Y30-A50 HydrophobicContact CG-CB 3.54Å
31Q88Confident86.7Confident44 Ų4458.8 Ų58.821%0.20627%0.274CS..  trans-89.6127.7-172.2-153.5-170.416.400109.3E7 P10 M16 I21 Y24 R29E7-Q31 PolarHBondContact OE2-NE2 3.37Å; P10-Q31 WeakPolarHBondContact CD-O 3.46Å; P10-Q31 WeakPolarHBondContact CG-O 3.2Å; M16-Q31 HydrophobicContact CE-CG 3.81Å; M16-Q31 HydrophobicContact SD-CG 4.14Å; I21-Q31 PolarHBondContact O-NE2 3.23Å; Y24-Q31 HydrophobicContact CD1-CG 4.38Å; Y24-Q31 HydrophobicContact CE1-CB 4.19Å; Y24-Q31 HydrophobicContact CE1-CG 3.89Å; R29-Q31 PolarHBondContact O-N 3.26Å
32V88.7Confident86.9Confident0 Ų062.2 Ų62.20%029%0.293CS..  trans-145.7146.9178.7-66.70000108.9P10 L11 P25 Y30 W37P10-V32 HydrophobicContact CG-CG1 4.35Å; L11-V32 HydrophobicContact CD1-CB 4.15Å; L11-V32 HydrophobicContact CD1-CG1 3.52Å; L11-V32 HydrophobicContact CG-CG1 4.07Å; P25-V32 HydrophobicContact CG-CG2 3.65Å; Y30-V32 HydrophobicContact CD1-CG1 3.7Å; Y30-V32 HydrophobicContact CE1-CG1 3.49Å; Y30-V32 VanDerWaalsContact CE1-CG1 3.49Å; V32-W37 HydrophobicContact CG2-CB 4.07Å
33C90.4Very high87.1Confident5 Ų568.4 Ų68.43%0.03432%0.32CS..  trans-66.5153.1176.669.40000111.1C9 M16 D20 F35 C36 W37C9-C33 HydrophobicContact CB-CB 3.96Å; C9-C33 PolarHBondContact SG-N 2.94Å; M16-C33 HydrophobicContact CE-CB 4.46Å; D20-C33 HydrophobicContact CB-CB 4.43Å; D20-C33 WeakPolarHBondContact OD2-CB 3.5Å; C33-F35 PolarHBondContact O-N 3.21Å; C33-F35 VanDerWaalsContact O-N 3.16Å; C33-C36 PolarHBondContact O-N 3.03Å; C33-W37 PolarHBondContact O-N 3.39Å
34R88.6Confident87.1Confident110 Ų11073 Ų7342%0.41534%0.342SS..Hα-helixtrans-60.5-27-176.5-173.1158.654-172.5-7.4112.6D19 D20 W37 A38D19-R34 IonicContact OD2-CZ 3.61Å; D19-R34 IonicContact OD2-NH1 2.79Å; D19-R34 IonicContact OD2-NH2 2.65Å; D19-R34 PolarHBondContact OD2-NH2 3.18Å; D20-R34 WeakPolarHBondContact OD1-CB 3.49Å; D20-R34 PolarHBondContact OD1-N 3.35Å; R34-W37 HydrophobicContact CG-CE3 4.37Å; R34-A38 VanDerWaalsContact O-CB 3.3Å; R34-A38 WeakPolarHBondContact O-CB 3.46Å; R34-A38 PolarHBondContact O-N 2.98Å
35F90.1Very high87.1Confident148 Ų14873.7 Ų73.765%0.64935%0.35SS*.Hα-helixtrans-65.9-50.9170.7-66.7-73.8000112.8C33 W37 A38 K39C33-F35 PolarHBondContact O-N 3.21Å; C33-F35 VanDerWaalsContact O-N 3.16Å; F35-W37 VanDerWaalsContact C-N 3.34Å; F35-W37 PolarHBondContact O-N 3.43Å; F35-A38 PolarHBondContact O-N 2.8Å; F35-K39 WeakPolarHBondContact O-CB 3.36Å; F35-K39 PolarHBondContact O-N 3.25Å
36C90.9Very high87.1Confident18 Ų1873.5 Ų73.512%0.12235%0.351CS..Hα-helixtrans-65.7-37.4177.9-710000112.2L11 C12 C33 K39 I40L11-C36 HydrophobicContact CB-CB 4.12Å; L11-C36 HydrophobicContact CD1-CB 3.78Å; C12-C36 VanDerWaalsContact SG-SG 3.68Å; C33-C36 PolarHBondContact O-N 3.03Å; C36-K39 WeakPolarHBondContact O-CB 3.45Å; C36-K39 PolarHBondContact O-N 2.98Å; C36-I40 VanDerWaalsContact O-CG1 3.3Å; C36-I40 WeakPolarHBondContact O-CG1 3.44Å; C36-I40 PolarHBondContact O-N 2.83Å
37W89.5Confident87.3Confident71 Ų7175.6 Ų75.627%0.26936%0.361SS..Hα-helixtrans-60.9-48.5173.1171.872.2000112.5F23 P25 V32 C33 R34 F35 K39 I40 I41 Y55F23-W37 HydrophobicContact CE1-CB 3.86Å; F23-W37 AromaticContact CE1-CD2 3.91Å; F23-W37 HydrophobicContact CE1-CD2 3.91Å; F23-W37 HydrophobicContact CE1-CE3 4.21Å; F23-W37 AromaticContact CE1-CG 3.76Å; F23-W37 HydrophobicContact CE1-CG 3.76Å; F23-W37 HydrophobicContact CZ-CB 4.43Å; F23-W37 AromaticContact CZ-CD2 3.56Å; F23-W37 HydrophobicContact CZ-CD2 3.56Å; F23-W37 AromaticContact CZ-CE2 3.97Å; F23-W37 AromaticContact CZ-CE3 3.65Å; F23-W37 HydrophobicContact CZ-CE3 3.65Å; F23-W37 AromaticContact CZ-CG 3.93Å; F23-W37 HydrophobicContact CZ-CG 3.93Å; F23-W37 HydrophobicContact CZ-CH2 4.48Å; F23-W37 HydrophobicContact CZ-CZ2 4.41Å; F23-W37 HydrophobicContact CZ-CZ3 4.12Å; P25-W37 HydrophobicContact CB-CD2 4.48Å; P25-W37 HydrophobicContact CB-CG 3.94Å; P25-W37 VanDerWaalsContact CB-NE1 3.35Å; P25-W37 HydrophobicContact CG-CG 4.26Å; V32-W37 HydrophobicContact CG2-CB 4.07Å; C33-W37 PolarHBondContact O-N 3.39Å; R34-W37 HydrophobicContact CG-CE3 4.37Å; F35-W37 VanDerWaalsContact C-N 3.34Å; F35-W37 PolarHBondContact O-N 3.43Å; W37-K39 VanDerWaalsContact C-N 3.25Å; W37-K39 PolarHBondContact O-N 2.96Å; W37-I40 PolarHBondContact O-N 3.22Å; W37-I41 HydrophobicContact CD2-CD1 4.24Å; W37-I41 VanDerWaalsContact CE2-CD1 3.42Å; W37-I41 HydrophobicContact CH2-CD1 4.34Å; W37-I41 HydrophobicContact CZ2-CD1 3.5Å; W37-I41 VanDerWaalsContact CZ2-CD1 3.5Å; W37-I41 PolarHBondContact O-N 3.32Å; W37-I41 VanDerWaalsContact O-N 3.16Å; W37-Y55 AromaticContact CD1-CE1 3.87Å; W37-Y55 AromaticContact CD1-CE2 3.85Å; W37-Y55 AromaticContact CD1-CZ 3.72Å; W37-Y55 AromaticContact NE1-CD1 3.86Å; W37-Y55 AromaticContact NE1-CG 3.84Å
38A88.4Confident87.6Confident33 Ų3370.4 Ų70.427%0.27333%0.334SS..Hα-helixtrans-60.6-36.6175.600000111.7R34 F35 I41 N42R34-A38 VanDerWaalsContact O-CB 3.3Å; R34-A38 WeakPolarHBondContact O-CB 3.46Å; R34-A38 PolarHBondContact O-N 2.98Å; F35-A38 PolarHBondContact O-N 2.8Å; A38-I41 PolarHBondContact O-N 2.76Å; A38-N42 VanDerWaalsContact O-CB 3.27Å; A38-N42 WeakPolarHBondContact O-CB 3.29Å; A38-N42 PolarHBondContact O-N 3.45Å; A38-N42 PolarHBondContact O-ND2 2.72Å
39K89.8Confident87.7Confident116 Ų11670.1 Ų70.150%0.50433%0.331SS..Hα-helixtrans-63.3-45.8174.5-162.4-177.4-172.7-172.40112.4F35 C36 W37 I41 N42 E43 E44F35-K39 WeakPolarHBondContact O-CB 3.36Å; F35-K39 PolarHBondContact O-N 3.25Å; C36-K39 WeakPolarHBondContact O-CB 3.45Å; C36-K39 PolarHBondContact O-N 2.98Å; W37-K39 VanDerWaalsContact C-N 3.25Å; W37-K39 PolarHBondContact O-N 2.96Å; K39-I41 VanDerWaalsContact C-N 3.29Å; K39-I41 PolarHBondContact O-N 3.28Å; K39-N42 PolarHBondContact O-N 3.46Å; K39-E43 WeakPolarHBondContact CE-OE2 3.41Å; K39-E43 HydrophobicContact CG-CB 4.19Å; K39-E43 HydrophobicContact CG-CG 4.26Å; K39-E43 IonicContact NZ-OE2 3.12Å; K39-E43 WeakPolarHBondContact O-CA 3.31Å; K39-E43 WeakPolarHBondContact O-CB 3.3Å; K39-E43 PolarHBondContact O-N 2.9Å; K39-E44 PolarHBondContact O-N 3.29Å
40I88.9Confident87.9Confident6 Ų663.8 Ų63.83%0.03132%0.32CS..Hα-helixtrans-62.7-37179.9-64.6157.6000111.7L11 C36 W37 E44 G46 L47 P49 Y55L11-I40 HydrophobicContact CD1-CD1 3.67Å; C36-I40 VanDerWaalsContact O-CG1 3.3Å; C36-I40 WeakPolarHBondContact O-CG1 3.44Å; C36-I40 PolarHBondContact O-N 2.83Å; W37-I40 PolarHBondContact O-N 3.22Å; I40-E44 HydrophobicContact CG2-CB 4.31Å; I40-E44 CarbonylContact O-C 3.58Å; I40-E44 WeakPolarHBondContact O-CA 3.5Å; I40-E44 WeakPolarHBondContact O-CB 3.21Å; I40-E44 PolarHBondContact O-N 3.13Å; I40-G46 WeakPolarHBondContact O-CA 3.42Å; I40-G46 PolarHBondContact O-N 2.72Å; I40-L47 WeakPolarHBondContact CG2-O 3.27Å; I40-P49 HydrophobicContact CD1-CG 3.81Å; I40-Y55 HydrophobicContact CB-CE2 4.19Å; I40-Y55 HydrophobicContact CD1-CE2 4.5Å; I40-Y55 HydrophobicContact CG2-CD2 4.41Å; I40-Y55 HydrophobicContact CG2-CE2 3.74Å
41I86.9Confident88Confident66 Ų6662.8 Ų62.834%0.33832%0.322SS..Hα-helixtrans-75-36.9178.1-70.3-176.7000112.5W37 A38 K39 Y55W37-I41 HydrophobicContact CD2-CD1 4.24Å; W37-I41 VanDerWaalsContact CE2-CD1 3.42Å; W37-I41 HydrophobicContact CH2-CD1 4.34Å; W37-I41 HydrophobicContact CZ2-CD1 3.5Å; W37-I41 VanDerWaalsContact CZ2-CD1 3.5Å; W37-I41 PolarHBondContact O-N 3.32Å; W37-I41 VanDerWaalsContact O-N 3.16Å; A38-I41 PolarHBondContact O-N 2.76Å; K39-I41 VanDerWaalsContact C-N 3.29Å; K39-I41 PolarHBondContact O-N 3.28Å; I41-Y55 HydrophobicContact CD1-CD2 3.99Å; I41-Y55 HydrophobicContact CD1-CG 4.19Å; I41-Y55 HydrophobicContact CG1-CD2 3.7Å; I41-Y55 HydrophobicContact CG1-CE2 4.44Å; I41-Y55 HydrophobicContact CG1-CG 4.37Å
42N86.5Confident88Confident131 Ų13170.6 Ų70.670%0.70135%0.35SS*.Hα-helixtrans-94.7-29.2-172.3-64.6-20.8000114.6A38 K39A38-N42 VanDerWaalsContact O-CB 3.27Å; A38-N42 WeakPolarHBondContact O-CB 3.29Å; A38-N42 PolarHBondContact O-N 3.45Å; A38-N42 PolarHBondContact O-ND2 2.72Å; K39-N42 PolarHBondContact O-N 3.46Å
43E85.2Confident87.7Confident146 Ų14676.6 Ų76.668%0.68238%0.376SS*.Hα-helixtrans-120.9-16.4-173.1-62.3178.4-149.500113.7K39K39-E43 WeakPolarHBondContact CE-OE2 3.41Å; K39-E43 HydrophobicContact CG-CB 4.19Å; K39-E43 HydrophobicContact CG-CG 4.26Å; K39-E43 IonicContact NZ-OE2 3.12Å; K39-E43 WeakPolarHBondContact O-CA 3.31Å; K39-E43 WeakPolarHBondContact O-CB 3.3Å; K39-E43 PolarHBondContact O-N 2.9Å
44E83Confident87.5Confident116 Ų11682.9 Ų82.954%0.54241%0.405SS..SBendtrans-116-157.6-177-145.7-163.9133.200111.6K39 I40 G46K39-E44 PolarHBondContact O-N 3.29Å; I40-E44 HydrophobicContact CG2-CB 4.31Å; I40-E44 CarbonylContact O-C 3.58Å; I40-E44 WeakPolarHBondContact O-CA 3.5Å; I40-E44 WeakPolarHBondContact O-CB 3.21Å; I40-E44 PolarHBondContact O-N 3.13Å; E44-G46 VanDerWaalsContact C-N 3.31Å; E44-G46 PolarHBondContact O-N 3.05Å
45N85.5Confident87.1Confident86 Ų8678.2 Ų78.246%0.4639%0.387SS..  trans-81.71.7-174.551.949.6000114.7L47N45-L47 HydrophobicContact CB-CD1 4.38Å; N45-L47 HydrophobicContact CB-CG 4.09Å; N45-L47 WeakPolarHBondContact O-CG 3.32Å; N45-L47 PolarHBondContact O-N 2.9Å; N45-L47 WeakPolarHBondContact OD1-CA 3.3Å; N45-L47 WeakPolarHBondContact OD1-CB 3.3Å; N45-L47 WeakPolarHBondContact OD1-CG 3.47Å; N45-L47 PolarHBondContact OD1-N 2.71Å
46G85.4Confident86.1Confident11 Ų1175.6 Ų75.611%0.11338%0.38CS..SBendtrans67.48-176.200000115.5I40 E44 E54 Y55I40-G46 WeakPolarHBondContact O-CA 3.42Å; I40-G46 PolarHBondContact O-N 2.72Å; E44-G46 VanDerWaalsContact C-N 3.31Å; E44-G46 PolarHBondContact O-N 3.05Å; G46-E54 WeakPolarHBondContact O-CA 3.49Å; G46-Y55 WeakPolarHBondContact O-CD2 3.12Å; G46-Y55 PolarHBondContact O-N 2.98Å
47L88.4Confident84.8Confident55 Ų5580.5 Ų80.529%0.28841%0.414SS..BIsolated β-bridgetrans-96.1144.3-176.5-48.1-179.2000112.2I40 N45 P49 K53 E54I40-L47 WeakPolarHBondContact CG2-O 3.27Å; N45-L47 HydrophobicContact CB-CD1 4.38Å; N45-L47 HydrophobicContact CB-CG 4.09Å; N45-L47 WeakPolarHBondContact O-CG 3.32Å; N45-L47 PolarHBondContact O-N 2.9Å; N45-L47 WeakPolarHBondContact OD1-CA 3.3Å; N45-L47 WeakPolarHBondContact OD1-CB 3.3Å; N45-L47 WeakPolarHBondContact OD1-CG 3.47Å; N45-L47 PolarHBondContact OD1-N 2.71Å; L47-P49 WeakPolarHBondContact O-CD 3.5Å; L47-K53 CarbonylContact C-O 3.57Å; L47-K53 WeakPolarHBondContact CA-O 3.27Å; L47-E54 HydrophobicContact CD2-CB 3.81Å; L47-E54 HydrophobicContact CD2-CG 4.29Å
48C88.5Confident83.4Confident0 Ų086.1 Ų86.10%044%0.444CS..  trans-67.2122.5172.2176.70000111.4C26 C28 A50 C51 R52 K53 Y55C26-C48 HydrophobicContact CB-CB 3.87Å; C28-C48 PolarHBondContact SG-SG 3.05Å; C48-A50 VanDerWaalsContact C-N 3.27Å; C48-A50 PolarHBondContact O-N 3.1Å; C48-A50 VanDerWaalsContact O-N 3.1Å; C48-C51 PolarHBondContact O-N 3.34Å; C48-R52 WeakPolarHBondContact O-CA 3.47Å; C48-R52 PolarHBondContact O-N 2.81Å; C48-K53 WeakPolarHBondContact CB-O 3.46Å; C48-K53 PolarHBondContact N-O 3.36Å; C48-Y55 HydrophobicContact CB-CE1 3.91Å
49P88.4Confident82Confident52 Ų5291.5 Ų91.534%0.33846%0.461SS..THydrogen-bonded Turntrans-56.3-34.8-173.1-29.535.8000115.1L11 Y30 I40 L47L11-P49 HydrophobicContact CD1-CG 4.26Å; L11-P49 HydrophobicContact CD2-CG 4.27Å; Y30-P49 HydrophobicContact CD1-CB 4.43Å; Y30-P49 HydrophobicContact CE1-CB 3.82Å; Y30-P49 HydrophobicContact CE1-CG 4.02Å; I40-P49 HydrophobicContact CD1-CG 3.81Å; L47-P49 WeakPolarHBondContact O-CD 3.5Å
50A87Confident80.4Confident62 Ų6291.9 Ų91.951%0.51248%0.475SS..THydrogen-bonded Turntrans-80.4-33.7-177.700000114.7Y30 C48Y30-A50 HydrophobicContact CD1-CB 4.13Å; Y30-A50 HydrophobicContact CD2-CB 3.57Å; Y30-A50 HydrophobicContact CE2-CB 4.16Å; Y30-A50 HydrophobicContact CG-CB 3.54Å; C48-A50 VanDerWaalsContact C-N 3.27Å; C48-A50 PolarHBondContact O-N 3.1Å; C48-A50 VanDerWaalsContact O-N 3.1Å
51C90Very high79.1Confident43 Ų4392.6 Ų92.629%0.29148%0.482SS..THydrogen-bonded Turntrans-122.2-3.1-172.473.40000114.9C26 C28 C48 K53C26-C51 PolarHBondContact SG-SG 3.42Å; C28-C51 HydrophobicContact CB-CB 3.97Å; C28-C51 VanDerWaalsContact SG-SG 3.67Å; C48-C51 PolarHBondContact O-N 3.34Å; C51-K53 PolarHBondContact O-N 3.01Å
52R87.2Confident77.7Confident207 Ų20792.8 Ų92.878%0.78149%0.489SS*.  trans55.115.6179.2-55.8-177.2-178.3179.2-0.3115.7C48C48-R52 WeakPolarHBondContact O-CA 3.47Å; C48-R52 PolarHBondContact O-N 2.81Å
53K83.4Confident76.4Confident127 Ų12792 Ų9255%0.55248%0.477SS*.  trans-78.2138.7167.8-62.6-177.1179.6-176.40109.5L47 C48 C51L47-K53 CarbonylContact C-O 3.57Å; L47-K53 WeakPolarHBondContact CA-O 3.27Å; C48-K53 WeakPolarHBondContact CB-O 3.46Å; C48-K53 PolarHBondContact N-O 3.36Å; C51-K53 PolarHBondContact O-N 3.01Å
54E84.7Confident75.2Confident137 Ų13793 Ų9364%0.6448%0.479SS*.BIsolated β-bridgetrans-59.9144170.6-164.1171.3178.100110.8G46 L47 N56G46-E54 WeakPolarHBondContact O-CA 3.49Å; L47-E54 HydrophobicContact CD2-CB 3.81Å; L47-E54 HydrophobicContact CD2-CG 4.29Å; E54-N56 PolarHBondContact O-N 3.48Å; E54-N56 VanDerWaalsContact O-N 3.12Å
55Y81.6Confident73.9Confident12 Ų1292 Ų925%0.04748%0.483CS..  trans-70.3106.6175.7-70.4-64.6000109.9P25 C26 W37 I40 I41 G46 C48 S57P25-Y55 HydrophobicContact CB-CD1 4.06Å; P25-Y55 HydrophobicContact CB-CE1 3.68Å; P25-Y55 HydrophobicContact CG-CE1 3.9Å; P25-Y55 VanDerWaalsContact O-CD1 3.3Å; P25-Y55 WeakPolarHBondContact O-CD1 3.29Å; C26-Y55 HydrophobicContact CB-CD1 4.22Å; C26-Y55 HydrophobicContact CB-CE1 3.89Å; W37-Y55 AromaticContact CD1-CE1 3.87Å; W37-Y55 AromaticContact CD1-CE2 3.85Å; W37-Y55 AromaticContact CD1-CZ 3.72Å; W37-Y55 AromaticContact NE1-CD1 3.86Å; W37-Y55 AromaticContact NE1-CG 3.84Å; I40-Y55 HydrophobicContact CB-CE2 4.19Å; I40-Y55 HydrophobicContact CD1-CE2 4.5Å; I40-Y55 HydrophobicContact CG2-CD2 4.41Å; I40-Y55 HydrophobicContact CG2-CE2 3.74Å; I41-Y55 HydrophobicContact CD1-CD2 3.99Å; I41-Y55 HydrophobicContact CD1-CG 4.19Å; I41-Y55 HydrophobicContact CG1-CD2 3.7Å; I41-Y55 HydrophobicContact CG1-CE2 4.44Å; I41-Y55 HydrophobicContact CG1-CG 4.37Å; G46-Y55 WeakPolarHBondContact O-CD2 3.12Å; G46-Y55 PolarHBondContact O-N 2.98Å; C48-Y55 HydrophobicContact CB-CE1 3.91Å; Y55-S57 PolarHBondContact O-N 3.06Å
56N68.3Low72.3Confident92 Ų9291.3 Ų91.349%0.49248%0.478SS..  trans-5599.2-178.9-67.1-56.2000112E54 E58 K59E54-N56 PolarHBondContact O-N 3.48Å; E54-N56 VanDerWaalsContact O-N 3.12Å; N56-E58 PolarHBondContact O-N 3.16Å; N56-K59 HydrophobicContact CB-CB 4.37Å; N56-K59 PolarHBondContact O-N 2.96Å
57S63.3Low70.7Confident121 Ų12193 Ų9385%0.84649%0.489SS*.THydrogen-bonded Turntrans-62-19.1-177-64.20000114Y55Y55-S57 PolarHBondContact O-N 3.06Å
58E61.6Low69.4Low190 Ų19098.4 Ų98.489%0.88851%0.512SS*.THydrogen-bonded Turntrans-81.4-14.2176.1-59.2-172.1153.600114.3N56N56-E58 PolarHBondContact O-N 3.16Å
59K58.7Low68.1Low146 Ų146102.7 Ų102.764%0.63554%0.539SS*.SBendtrans-121.8106-179.2-73.8-178-179.4173.30110N56N56-K59 HydrophobicContact CB-CB 4.37Å; N56-K59 PolarHBondContact O-N 2.96Å
60P56.8Low66.6Low123 Ų123105.1 Ų105.180%0.79955%0.546SS*.  trans-59.4144.1174.225.8-33.5000110.1
61A60.9Low65.2Low21 Ų21105.7 Ų105.717%0.17454%0.538CS..  trans-40.8139.8176.200000111.8F23 Y24 P25 Y63F23-A61 HydrophobicContact CD2-CB 3.75Å; F23-A61 HydrophobicContact CE2-CB 3.28Å; F23-A61 HydrophobicContact CZ-CB 3.76Å; Y24-A61 CarbonylContact O-C 3.57Å; Y24-A61 WeakPolarHBondContact O-CA 3.19Å; Y24-A61 WeakPolarHBondContact O-CB 3.47Å; P25-A61 HydrophobicContact CB-CB 4.3Å; A61-Y63 PolarHBondContact O-N 3.28Å
62S58.1Low63.5Low71 Ų71106.8 Ų106.850%0.49755%0.546SS..  trans-75.673-170.375.40000112.1Y24Y24-S62 PolarHBondContact O-N 2.93Å
63Y58.8Low62.2Low113 Ų113105.4 Ų105.444%0.44354%0.541SS..  trans-68.9129176.1-174.5-111.1000109.8S22 A61 P65S22-Y63 WeakPolarHBondContact OG-CD2 3.43Å; S22-Y63 WeakPolarHBondContact OG-CE2 3.48Å; A61-Y63 PolarHBondContact O-N 3.28Å; Y63-P65 HydrophobicContact CD1-CB 4.35Å; Y63-P65 HydrophobicContact CD1-CG 3.74Å; Y63-P65 HydrophobicContact CE1-CB 3.83Å; Y63-P65 HydrophobicContact CE1-CG 3.71Å; Y63-P65 WeakPolarHBondContact O-CD 3.5Å
64K60.4Low60.9Low167 Ų167102.2 Ų102.273%0.72653%0.534SS*.  trans-104.7103.5165.8-72.9-175.1177.3-178.50107.6I66K64-I66 PolarHBondContact O-N 3.21Å
65P54.5Low59.7Low95 Ų95100.4 Ų100.462%0.61752%0.524SS*.PPolyproline II helixtrans-56.9128.2174.5-18.728.6000109.8Y63 S67Y63-P65 HydrophobicContact CD1-CB 4.35Å; Y63-P65 HydrophobicContact CD1-CG 3.74Å; Y63-P65 HydrophobicContact CE1-CB 3.83Å; Y63-P65 HydrophobicContact CE1-CG 3.71Å; Y63-P65 WeakPolarHBondContact O-CD 3.5Å; P65-S67 PolarHBondContact O-N 2.98Å
66I52Low58.5Low72 Ų72103.1 Ų103.137%0.36955%0.545SS..PPolyproline II helixtrans-65.1128.2166.5-60.2172.5000106.4K64 E70 E71K64-I66 PolarHBondContact O-N 3.21Å; I66-E70 HydrophobicContact CG2-CB 3.58Å; I66-E71 HydrophobicContact CB-CG 4.12Å; I66-E71 HydrophobicContact CG2-CG 3.8Å
67S52.3Low57.9Low47 Ų47101.4 Ų101.433%0.32954%0.54SS..PPolyproline II helixtrans-63.9150.4-177.866.10000111P65 T69 E70 E71P65-S67 PolarHBondContact O-N 2.98Å; S67-T69 PolarHBondContact O-N 2.9Å; S67-E70 WeakPolarHBondContact CB-OE2 3.4Å; S67-E70 PolarHBondContact N-OE2 3.05Å; S67-E70 CarbonylContact O-C 3.56Å; S67-E70 WeakPolarHBondContact O-CA 3.14Å; S67-E70 PolarHBondContact O-N 3.42Å; S67-E70 WeakPolarHBondContact OG-CB 3.47Å; S67-E70 VanDerWaalsContact OG-CG 3.29Å; S67-E70 WeakPolarHBondContact OG-CG 3.48Å; S67-E70 PolarHBondContact OG-N 3.32Å; S67-E70 PolarHBondContact OG-OE2 3.1Å; S67-E71 PolarHBondContact O-N 2.7Å
68E61.6Low57.9Low168 Ų168101.7 Ų101.779%0.78552%0.522SS*.Hα-helixtrans-56.4-28.5176.9-64.3-172.614400112.3S72E68-S72 VanDerWaalsContact O-CB 3.29Å; E68-S72 WeakPolarHBondContact O-CB 3.45Å; E68-S72 PolarHBondContact O-N 2.81Å; E68-S72 PolarHBondContact O-OG 3.44Å
69T60.8Low58Low90 Ų90100.2 Ų100.255%0.55251%0.513SS*.Hα-helixtrans-69.6-36.9174.6-40.80000112.6S67 S72 R73S67-T69 PolarHBondContact O-N 2.9Å; T69-S72 WeakPolarHBondContact CA-OG 3.44Å; T69-S72 PolarHBondContact O-OG 2.86Å; T69-S72 VanDerWaalsContact O-OG 3.13Å; T69-R73 WeakPolarHBondContact O-CB 3.23Å; T69-R73 WeakPolarHBondContact O-CD 3.38Å; T69-R73 VanDerWaalsContact O-CG 3.27Å; T69-R73 WeakPolarHBondContact O-CG 3.45Å; T69-R73 PolarHBondContact O-N 2.86Å
70E57Low58Low103 Ų103100.7 Ų100.748%0.48151%0.511SS..Hα-helixtrans-79.4-38.1172.7-72.2164.3122.600111.7I66 S67 S72 R73 C74I66-E70 HydrophobicContact CG2-CB 3.58Å; S67-E70 WeakPolarHBondContact CB-OE2 3.4Å; S67-E70 PolarHBondContact N-OE2 3.05Å; S67-E70 CarbonylContact O-C 3.56Å; S67-E70 WeakPolarHBondContact O-CA 3.14Å; S67-E70 PolarHBondContact O-N 3.42Å; S67-E70 WeakPolarHBondContact OG-CB 3.47Å; S67-E70 VanDerWaalsContact OG-CG 3.29Å; S67-E70 WeakPolarHBondContact OG-CG 3.48Å; S67-E70 PolarHBondContact OG-N 3.32Å; S67-E70 PolarHBondContact OG-OE2 3.1Å; E70-S72 VanDerWaalsContact C-N 3.35Å; E70-S72 PolarHBondContact O-N 2.69Å; E70-R73 CarbonylContact O-C 3.59Å; E70-R73 PolarHBondContact O-N 2.61Å; E70-C74 VanDerWaalsContact O-CB 3.32Å; E70-C74 WeakPolarHBondContact O-CB 3.5Å; E70-C74 PolarHBondContact O-N 2.86Å
71E56.6Low58.2Low74 Ų74100.7 Ų100.735%0.34650%0.495SS..Hα-helixtrans-60.2-43.6173.2-76.8-147.7114.900111.6I66 S67 C74 K75I66-E71 HydrophobicContact CB-CG 4.12Å; I66-E71 HydrophobicContact CG2-CG 3.8Å; S67-E71 PolarHBondContact O-N 2.7Å; E71-C74 CarbonylContact O-C 3.35Å; E71-C74 PolarHBondContact O-N 2.74Å; E71-K75 HydrophobicContact CB-CD 4.31Å; E71-K75 WeakPolarHBondContact O-CA 3.1Å; E71-K75 WeakPolarHBondContact O-CB 3.38Å; E71-K75 WeakPolarHBondContact O-CD 2.8Å; E71-K75 WeakPolarHBondContact O-CG 3.39Å; E71-K75 PolarHBondContact O-N 2.85Å; E71-K75 WeakPolarHBondContact OE1-CE 3.09Å; E71-K75 IonicContact OE1-NZ 2.86Å; E71-K75 PolarHBondContact OE1-NZ 3.04Å; E71-K75 IonicContact OE2-NZ 3.6Å; E71-K75 PolarHBondContact OE2-NZ 3.15Å
72S55.9Low58.2Low67 Ų67104 Ų10447%0.46951%0.509SS..Hα-helixtrans-68.7-35.3177.851.80000112.1E68 T69 E70 S76E68-S72 VanDerWaalsContact O-CB 3.29Å; E68-S72 WeakPolarHBondContact O-CB 3.45Å; E68-S72 PolarHBondContact O-N 2.81Å; E68-S72 PolarHBondContact O-OG 3.44Å; T69-S72 WeakPolarHBondContact CA-OG 3.44Å; T69-S72 PolarHBondContact O-OG 2.86Å; T69-S72 VanDerWaalsContact O-OG 3.13Å; E70-S72 VanDerWaalsContact C-N 3.35Å; E70-S72 PolarHBondContact O-N 2.69Å; S72-S76 WeakPolarHBondContact O-CB 3.5Å; S72-S76 PolarHBondContact O-N 2.99Å; S72-S76 PolarHBondContact O-OG 3.35Å
73R58.6Low58.3Low177 Ų177105.8 Ų105.867%0.66851%0.506SS*.Hα-helixtrans-65.8-42.5169.2-77.3173.2167.7-176.7-4.3112.3T69 E70 S76 S77T69-R73 WeakPolarHBondContact O-CB 3.23Å; T69-R73 WeakPolarHBondContact O-CD 3.38Å; T69-R73 VanDerWaalsContact O-CG 3.27Å; T69-R73 WeakPolarHBondContact O-CG 3.45Å; T69-R73 PolarHBondContact O-N 2.86Å; E70-R73 CarbonylContact O-C 3.59Å; E70-R73 PolarHBondContact O-N 2.61Å; R73-S76 WeakPolarHBondContact CA-OG 3.41Å; R73-S76 PolarHBondContact O-OG 3.21Å; R73-S77 WeakPolarHBondContact O-CB 3.34Å; R73-S77 PolarHBondContact O-N 3.11Å
74C56Low58.3Low60 Ų60103.4 Ų103.441%0.40550%0.5SS..Hα-helixtrans-72.6-34.9176.2-860000112.6E70 E71 R78E70-C74 VanDerWaalsContact O-CB 3.32Å; E70-C74 WeakPolarHBondContact O-CB 3.5Å; E70-C74 PolarHBondContact O-N 2.86Å; E71-C74 CarbonylContact O-C 3.35Å; E71-C74 PolarHBondContact O-N 2.74Å; C74-R78 WeakPolarHBondContact O-CA 3.32Å; C74-R78 WeakPolarHBondContact O-CB 3.41Å; C74-R78 WeakPolarHBondContact O-CG 3.25Å; C74-R78 PolarHBondContact O-N 2.81Å
75K59.8Low58.3Low99 Ų99102.1 Ų102.143%0.4350%0.495SS..Hα-helixtrans-72.2-34.8176.8-72.7162.8-173.2173.40111.1E71 K79E71-K75 HydrophobicContact CB-CD 4.31Å; E71-K75 WeakPolarHBondContact O-CA 3.1Å; E71-K75 WeakPolarHBondContact O-CB 3.38Å; E71-K75 WeakPolarHBondContact O-CD 2.8Å; E71-K75 WeakPolarHBondContact O-CG 3.39Å; E71-K75 PolarHBondContact O-N 2.85Å; E71-K75 WeakPolarHBondContact OE1-CE 3.09Å; E71-K75 IonicContact OE1-NZ 2.86Å; E71-K75 PolarHBondContact OE1-NZ 3.04Å; E71-K75 IonicContact OE2-NZ 3.6Å; E71-K75 PolarHBondContact OE2-NZ 3.15Å; K75-K79 WeakPolarHBondContact O-CB 3.48Å; K75-K79 WeakPolarHBondContact O-CD 3.15Å; K75-K79 WeakPolarHBondContact O-CG 3.45Å; K75-K79 PolarHBondContact O-N 3.5Å; K75-K79 VanDerWaalsContact O-N 3.07Å
76S57.4Low58.4Low70 Ų70106.5 Ų106.549%0.4950%0.504SS..Hα-helixtrans-74.4-41.4170.354.10000112.7S72 R73 K79 R80S72-S76 WeakPolarHBondContact O-CB 3.5Å; S72-S76 PolarHBondContact O-N 2.99Å; S72-S76 PolarHBondContact O-OG 3.35Å; R73-S76 WeakPolarHBondContact CA-OG 3.41Å; R73-S76 PolarHBondContact O-OG 3.21Å; S76-K79 PolarHBondContact O-N 3.47Å; S76-R80 WeakPolarHBondContact O-CB 3.23Å; S76-R80 PolarHBondContact O-N 3.05Å
77S55.9Low58.6Low56 Ų56104.4 Ų104.439%0.39250%0.495SS..Hα-helixtrans-66.7-39.5175.2-173.30000112.9R73 R80 R81R73-S77 WeakPolarHBondContact O-CB 3.34Å; R73-S77 PolarHBondContact O-N 3.11Å; S77-R80 PolarHBondContact O-N 2.8Å; S77-R81 WeakPolarHBondContact O-CB 3.46Å; S77-R81 PolarHBondContact O-N 3.38Å
78R61.6Low58.8Low127 Ų127112.1 Ų112.148%0.47952%0.522SS..Hα-helixtrans-62.9-52.4170.4-75.2173.3-176173.62.9110.2C74 R80 R81 D82C74-R78 WeakPolarHBondContact O-CA 3.32Å; C74-R78 WeakPolarHBondContact O-CB 3.41Å; C74-R78 WeakPolarHBondContact O-CG 3.25Å; C74-R78 PolarHBondContact O-N 2.81Å; R78-R80 PolarHBondContact O-N 2.8Å; R78-R80 VanDerWaalsContact O-N 3.12Å; R78-R81 CarbonylContact O-C 3.56Å; R78-R81 WeakPolarHBondContact O-CA 3.47Å; R78-R81 PolarHBondContact O-N 3.18Å; R78-D82 WeakPolarHBondContact O-CB 3.47Å; R78-D82 PolarHBondContact O-N 3.26Å; R78-D82 VanDerWaalsContact O-OD2 3.05Å
79K63.6Low58.7Low158 Ų158105.6 Ų105.669%0.68749%0.493SS*.Hα-helixtrans-52-39.3173.3-76.5171-177.1-179.10113K75 S76 Y83K75-K79 WeakPolarHBondContact O-CB 3.48Å; K75-K79 WeakPolarHBondContact O-CD 3.15Å; K75-K79 WeakPolarHBondContact O-CG 3.45Å; K75-K79 PolarHBondContact O-N 3.5Å; K75-K79 VanDerWaalsContact O-N 3.07Å; S76-K79 PolarHBondContact O-N 3.47Å; K79-Y83 VanDerWaalsContact O-CB 3.24Å; K79-Y83 WeakPolarHBondContact O-CB 3.46Å; K79-Y83 PolarHBondContact O-N 2.7Å
80R59.3Low58.8Low156 Ų156106.9 Ų106.959%0.58950%0.496SS*.Hα-helixtrans-66.7-49.4172.8178.1177.9-95.2-166.2-5.4112.1S76 S77 R78 D82 Y83 I84 R200S76-R80 WeakPolarHBondContact O-CB 3.23Å; S76-R80 PolarHBondContact O-N 3.05Å; S77-R80 PolarHBondContact O-N 2.8Å; R78-R80 PolarHBondContact O-N 2.8Å; R78-R80 VanDerWaalsContact O-N 3.12Å; R80-D82 VanDerWaalsContact C-N 3.34Å; R80-D82 PolarHBondContact O-N 3.11Å; R80-Y83 PolarHBondContact O-N 2.93Å; R80-I84 HydrophobicContact CG-CD1 3.74Å; R80-I84 WeakPolarHBondContact O-CB 3.32Å; R80-I84 WeakPolarHBondContact O-CD1 3.13Å; R80-I84 WeakPolarHBondContact O-CG1 3.16Å; R80-I84 PolarHBondContact O-N 2.96Å; R80-R200 PolarHBondContact NH2-O 3.35Å; R80-R200 VanDerWaalsContact NH2-O 3.15Å
81R61.7Low59.4Low124 Ų124106.4 Ų106.447%0.46850%0.502SS..Hα-helixtrans-60.6-39.1176.2-113-179.4170.9118.6-17.8112E4 S77 R78 I84 K85E4-R81 IonicContact OE1-CZ 2.76Å; E4-R81 IonicContact OE1-NH2 3.42Å; E4-R81 PolarHBondContact OE1-NH2 3.34Å; S77-R81 WeakPolarHBondContact O-CB 3.46Å; S77-R81 PolarHBondContact O-N 3.38Å; R78-R81 CarbonylContact O-C 3.56Å; R78-R81 WeakPolarHBondContact O-CA 3.47Å; R78-R81 PolarHBondContact O-N 3.18Å; R81-I84 CarbonylContact O-C 3.53Å; R81-I84 PolarHBondContact O-N 3.41Å; R81-K85 WeakPolarHBondContact O-CB 3.48Å; R81-K85 VanDerWaalsContact O-CG 3.24Å; R81-K85 WeakPolarHBondContact O-CG 3.47Å; R81-K85 PolarHBondContact O-N 2.97Å
82D59.6Low60.1Low89 Ų89109.3 Ų109.348%0.47652%0.516SS..Hα-helixtrans-78.4-32.5-176.3-60-31.6000111.7R78 R80 K85 K86R78-D82 WeakPolarHBondContact O-CB 3.47Å; R78-D82 PolarHBondContact O-N 3.26Å; R78-D82 VanDerWaalsContact O-OD2 3.05Å; R80-D82 VanDerWaalsContact C-N 3.34Å; R80-D82 PolarHBondContact O-N 3.11Å; D82-K85 PolarHBondContact O-N 3.44Å; D82-K86 PolarHBondContact O-N 3.21Å
83Y61.2Low60.8Low110 Ų110109.6 Ų109.643%0.43151%0.51SS..Hα-helixtrans-63.6-49.2165.7-174.4-106.4000110.6K79 R80 K85 K86 T87 F198K79-Y83 VanDerWaalsContact O-CB 3.24Å; K79-Y83 WeakPolarHBondContact O-CB 3.46Å; K79-Y83 PolarHBondContact O-N 2.7Å; R80-Y83 PolarHBondContact O-N 2.93Å; Y83-K85 PolarHBondContact O-N 3.15Å; Y83-K86 PolarHBondContact O-N 3.27Å; Y83-K86 VanDerWaalsContact O-N 3.09Å; Y83-T87 PolarHBondContact O-N 3.29Å; Y83-T87 PolarHBondContact O-OG1 3.26Å; Y83-T87 VanDerWaalsContact O-OG1 3.11Å; Y83-F198 WeakPolarHBondContact OH-CE2 3.41Å
84I58.7Low61.5Low62 Ų62103.7 Ų103.732%0.31849%0.492SS..Hα-helixtrans-65.3-20175.7-69.2168.7000113.2R80 R81 L94R80-I84 HydrophobicContact CG-CD1 3.74Å; R80-I84 WeakPolarHBondContact O-CB 3.32Å; R80-I84 WeakPolarHBondContact O-CD1 3.13Å; R80-I84 WeakPolarHBondContact O-CG1 3.16Å; R80-I84 PolarHBondContact O-N 2.96Å; R81-I84 CarbonylContact O-C 3.53Å; R81-I84 PolarHBondContact O-N 3.41Å; I84-L94 HydrophobicContact CD1-CD1 4.08Å; I84-L94 HydrophobicContact CG1-CD1 4.12Å; I84-L94 HydrophobicContact CG2-CD1 3.99Å
85K59.2Low62.7Low141 Ų141109 Ų10961%0.61351%0.508SS*.Hα-helixtrans-89.4-22.5172.2-77.3176.2178.3-171.30112.9R81 D82 Y83R81-K85 WeakPolarHBondContact O-CB 3.48Å; R81-K85 VanDerWaalsContact O-CG 3.24Å; R81-K85 WeakPolarHBondContact O-CG 3.47Å; R81-K85 PolarHBondContact O-N 2.97Å; D82-K85 PolarHBondContact O-N 3.44Å; Y83-K85 PolarHBondContact O-N 3.15Å
86K57.8Low63.9Low187 Ų187108.1 Ų108.181%0.81351%0.508SS*.Hα-helixtrans-82.2-36.1172.1-89.2-175.2170.5-179.60112.6D82 Y83D82-K86 PolarHBondContact O-N 3.21Å; Y83-K86 PolarHBondContact O-N 3.27Å; Y83-K86 VanDerWaalsContact O-N 3.09Å
87T56.6Low65.2Low28 Ų28105.3 Ų105.317%0.17249%0.487CS..THydrogen-bonded Turntrans-82.3115166.755.90000108.3Y83 L89 L215Y83-T87 PolarHBondContact O-N 3.29Å; Y83-T87 PolarHBondContact O-OG1 3.26Å; Y83-T87 VanDerWaalsContact O-OG1 3.11Å; T87-L89 PolarHBondContact O-N 3.46Å; T87-L215 HydrophobicContact CG2-CD1 3.71Å
88K56.6Low66.8Low208 Ų208105.8 Ų105.890%0.90449%0.489SS*.THydrogen-bonded Turntrans-73.657.2-174.6-65.6-177.2178.51790113
89L58.4Low68.1Low31 Ų31103.2 Ų103.216%0.16248%0.482CS..  trans-107.2132.3-172.7-43.9-178.3000111T87 M93 L94 L215T87-L89 PolarHBondContact O-N 3.46Å; L89-M93 HydrophobicContact CB-CE 4.1Å; L89-M93 HydrophobicContact CD2-CE 3.4Å; L89-M93 HydrophobicContact CG-CE 4.19Å; L89-L94 HydrophobicContact CB-CD2 4.44Å; L89-L94 HydrophobicContact CB-CG 4.38Å; L89-L94 HydrophobicContact CD1-CD2 3.71Å; L89-L94 HydrophobicContact CD1-CG 4.5Å; L89-L215 HydrophobicContact CD1-CD1 3.76Å; L89-L215 HydrophobicContact CD1-CD2 3.75Å; L89-L215 HydrophobicContact CD1-CG 4.42Å; L89-L215 HydrophobicContact CD2-CD1 3.86Å; L89-L215 HydrophobicContact CG-CD1 4.21Å
90N64Low69.4Low117 Ų11796.7 Ų96.763%0.62645%0.454SS*.  trans-62.4144.5167.9-81.9-33.8000110.3E92 M93 L94N90-E92 PolarHBondContact O-N 2.92Å; N90-E92 VanDerWaalsContact O-N 3.11Å; N90-M93 PolarHBondContact O-N 3.43Å; N90-L94 PolarHBondContact O-N 3.44Å
91P69Low71Confident94 Ų9493.6 Ų93.661%0.6144%0.443SS*.THydrogen-bonded Turntrans-63.5-18.9-179.227-35.6000113
92E71.6Confident72.5Confident135 Ų13587.8 Ų87.863%0.63142%0.421SS*.THydrogen-bonded Turntrans-72.7-46.4171.4-61.9178.9150.200111.4N90 L94 K95 I96N90-E92 PolarHBondContact O-N 2.92Å; N90-E92 VanDerWaalsContact O-N 3.11Å; E92-L94 PolarHBondContact O-N 3.07Å; E92-K95 WeakPolarHBondContact O-CA 3.24Å; E92-K95 VanDerWaalsContact O-CB 3.31Å; E92-K95 WeakPolarHBondContact O-CB 3.36Å; E92-K95 PolarHBondContact O-N 2.9Å; E92-I96 PolarHBondContact O-N 3.15Å
93M71.3Confident74.2Confident72 Ų7283.7 Ų83.736%0.35540%0.4SS..Hα-helixtrans-60.9-35.8-179.6-161.2165.879.100111.6L89 N90 K95 I96 L97L89-M93 HydrophobicContact CB-CE 4.1Å; L89-M93 HydrophobicContact CD2-CE 3.4Å; L89-M93 HydrophobicContact CG-CE 4.19Å; N90-M93 PolarHBondContact O-N 3.43Å; M93-K95 PolarHBondContact O-N 2.74Å; M93-I96 PolarHBondContact O-N 2.82Å; M93-L97 WeakPolarHBondContact O-CG 3.28Å; M93-L97 PolarHBondContact O-N 3.03Å
94L72.9Confident75.7Confident54 Ų5480.6 Ų80.628%0.28339%0.389SS..Hα-helixtrans-57.2-30.4171.5-73.1177.3000113.9I84 L89 N90 E92 L97I84-L94 HydrophobicContact CD1-CD1 4.08Å; I84-L94 HydrophobicContact CG1-CD1 4.12Å; I84-L94 HydrophobicContact CG2-CD1 3.99Å; L89-L94 HydrophobicContact CB-CD2 4.44Å; L89-L94 HydrophobicContact CB-CG 4.38Å; L89-L94 HydrophobicContact CD1-CD2 3.71Å; L89-L94 HydrophobicContact CD1-CG 4.5Å; N90-L94 PolarHBondContact O-N 3.44Å; E92-L94 PolarHBondContact O-N 3.07Å; L94-L97 HydrophobicContact CD2-CD1 3.84Å
95K80.5Confident77.3Confident170 Ų17079.9 Ų79.974%0.73939%0.389SS*.Hα-helixtrans-76.9-26.9175.5-60176.9-178.5177.80112.7E92 M93 P98E92-K95 WeakPolarHBondContact O-CA 3.24Å; E92-K95 VanDerWaalsContact O-CB 3.31Å; E92-K95 WeakPolarHBondContact O-CB 3.36Å; E92-K95 PolarHBondContact O-N 2.9Å; M93-K95 PolarHBondContact O-N 2.74Å; K95-P98 VanDerWaalsContact O-CD 3.27Å; K95-P98 WeakPolarHBondContact O-CD 3.48Å
96I84.8Confident79Confident82 Ų8275.3 Ų75.342%0.42137%0.371SS..Hα-helixtrans-89.5-25.5-176.2-47.5169.4000110.9E92 M93 P98 E99 L100E92-I96 PolarHBondContact O-N 3.15Å; M93-I96 PolarHBondContact O-N 2.82Å; I96-P98 VanDerWaalsContact C-N 3.3Å; I96-P98 WeakPolarHBondContact O-CD 3.2Å; I96-P98 VanDerWaalsContact O-N 3.08Å; I96-E99 PolarHBondContact O-N 2.75Å; I96-L100 HydrophobicContact CG2-CD2 4.23Å; I96-L100 HydrophobicContact CG2-CG 4.03Å; I96-L100 PolarHBondContact O-N 3.08Å; I96-L100 VanDerWaalsContact O-N 3.1Å
97L85.7Confident80.8Confident10 Ų1067.3 Ų67.35%0.05234%0.337CS..THydrogen-bonded Turntrans-43.9-39.2176.1-72.4-176.8000115.7M93 L94 E99 L100 Y194 L199 L215M93-L97 WeakPolarHBondContact O-CG 3.28Å; M93-L97 PolarHBondContact O-N 3.03Å; L94-L97 HydrophobicContact CD2-CD1 3.84Å; L97-E99 VanDerWaalsContact C-N 3.27Å; L97-E99 PolarHBondContact O-N 2.99Å; L97-L100 HydrophobicContact CD2-CD1 4.27Å; L97-Y194 HydrophobicContact CD2-CD2 4.36Å; L97-Y194 HydrophobicContact CD2-CE1 4.49Å; L97-Y194 HydrophobicContact CD2-CE2 3.86Å; L97-Y194 WeakPolarHBondContact O-CD2 3.46Å; L97-L199 HydrophobicContact CB-CD2 3.6Å; L97-L199 HydrophobicContact CD1-CD2 3.98Å; L97-L199 HydrophobicContact CG-CD2 4.43Å; L97-L215 HydrophobicContact CD1-CD2 4.27Å; L97-L215 HydrophobicContact CD2-CD2 4.48Å
98P89.4Confident82.7Confident67 Ų6766 Ų6644%0.43533%0.329SS..THydrogen-bonded Turntrans-66.2-25.4179.1-20.934.3000114.6K95 I96 K193 L199K95-P98 VanDerWaalsContact O-CD 3.27Å; K95-P98 WeakPolarHBondContact O-CD 3.48Å; I96-P98 VanDerWaalsContact C-N 3.3Å; I96-P98 WeakPolarHBondContact O-CD 3.2Å; I96-P98 VanDerWaalsContact O-N 3.08Å; P98-K193 PolarHBondContact O-NZ 3.39Å; P98-L199 HydrophobicContact CB-CD1 4.22Å; P98-L199 HydrophobicContact CG-CD1 4.26Å
99E88.3Confident84.6Confident73 Ų7358.3 Ų58.334%0.34130%0.295SS..THydrogen-bonded Turntrans-100.3-22.3179.8-165.950.5-154.200113.8I96 L97 R101 K193 K224I96-E99 PolarHBondContact O-N 2.75Å; L97-E99 VanDerWaalsContact C-N 3.27Å; L97-E99 PolarHBondContact O-N 2.99Å; E99-R101 PolarHBondContact O-N 3.15Å; E99-K193 IonicContact OE2-NZ 3.77Å; E99-K193 PolarHBondContact OE2-NZ 3.4Å; E99-K224 WeakPolarHBondContact OE1-CB 3.48Å
100L90.9Very high86.3Confident20 Ų2056.8 Ų56.811%0.10529%0.287CS..  trans-57.3134.2171.6-71.7177.7000112.2I96 L97 Y194 T223I96-L100 HydrophobicContact CG2-CD2 4.23Å; I96-L100 HydrophobicContact CG2-CG 4.03Å; I96-L100 PolarHBondContact O-N 3.08Å; I96-L100 VanDerWaalsContact O-N 3.1Å; L97-L100 HydrophobicContact CD2-CD1 4.27Å; L100-Y194 HydrophobicContact CB-CE2 4.02Å; L100-T223 HydrophobicContact CD2-CG2 4.08Å
101R92.9Very high87.6Confident91 Ų9152.1 Ų52.134%0.34326%0.263SS..EExtended strand (participates in β ladder)trans-110.2127.1171.5-66.4175.3176.1-131.17.5108.4E99 T191 T192 K193 F222 M227E99-R101 PolarHBondContact O-N 3.15Å; R101-T191 HydrophobicContact CB-CG2 4.46Å; R101-T192 WeakPolarHBondContact CA-O 3.48Å; R101-K193 HydrophobicContact CG-CG 4.37Å; R101-F222 PolarHBondContact N-O 2.73Å; R101-F222 PolarHBondContact O-N 2.89Å; R101-M227 HydrophobicContact CB-SD 3.75Å; R101-M227 WeakPolarHBondContact CD-SD 3.22Å; R101-M227 HydrophobicContact CG-SD 4.17Å
102V93.4Very high88.7Confident2 Ų248 Ų481%0.01224%0.238CC..EExtended strand (participates in β ladder)trans-101120.7-177.7-171.90000109T191 T192 Y194 L212 A220V102-T191 CarbonylContact O-C 3.55Å; V102-T191 VanDerWaalsContact O-CA 3.3Å; V102-T191 WeakPolarHBondContact O-CA 3.5Å; V102-T192 HydrophobicContact CB-CG2 4.48Å; V102-T192 PolarHBondContact N-O 3.31Å; V102-T192 PolarHBondContact O-N 3.43Å; V102-Y194 HydrophobicContact CG2-CD2 4.35Å; V102-Y194 HydrophobicContact CG2-CE1 4.23Å; V102-Y194 HydrophobicContact CG2-CE2 3.55Å; V102-Y194 VanDerWaalsContact CG2-CZ 3.49Å; V102-Y194 WeakPolarHBondContact CG2-OH 3.43Å; V102-L212 HydrophobicContact CG1-CD2 4.37Å; V102-L212 HydrophobicContact CG2-CD2 4.32Å; V102-A220 CarbonylContact C-O 3.47Å; V102-A220 WeakPolarHBondContact CA-O 3.34Å; V102-A220 HydrophobicContact CG1-CB 4.46Å
103V94.7Very high89.6Confident4 Ų441.6 Ų41.62%0.02421%0.208CC..EExtended strand (participates in β ladder)trans-68.6129.5168.6176.70000108.6L189 T191 A220 F222 H232 Y235V103-L189 HydrophobicContact CG1-CB 3.71Å; V103-L189 HydrophobicContact CG1-CD1 3.71Å; V103-L189 HydrophobicContact CG1-CG 4.31Å; V103-T191 HydrophobicContact CB-CG2 4.35Å; V103-T191 HydrophobicContact CG2-CG2 3.57Å; V103-A220 PolarHBondContact N-O 2.88Å; V103-F222 HydrophobicContact CB-CE2 4.32Å; V103-F222 HydrophobicContact CG2-CD2 3.79Å; V103-F222 HydrophobicContact CG2-CE2 3.57Å; V103-H232 HydrophobicContact CG2-CB 4.15Å; V103-Y235 HydrophobicContact CB-CD1 4.17Å; V103-Y235 HydrophobicContact CB-CE1 4.06Å; V103-Y235 HydrophobicContact CG1-CD1 4.02Å; V103-Y235 HydrophobicContact CG1-CE1 3.91Å; V103-Y235 HydrophobicContact CG2-CD1 4.37Å
104Q93Very high90.4Very high44 Ų4438.7 Ų38.721%0.20619%0.194CC..EExtended strand (participates in β ladder)trans-109.4116.1-178.9-74.3-69.6-43.600109.6N106 L107 G190 T192Q104-N106 PolarHBondContact O-N 3.11Å; Q104-N106 VanDerWaalsContact O-N 3.17Å; Q104-L107 HydrophobicContact CB-CB 3.64Å; Q104-L107 HydrophobicContact CB-CD2 4.2Å; Q104-L107 PolarHBondContact O-N 2.91Å; Q104-G190 PolarHBondContact N-O 3.42Å; Q104-T192 HydrophobicContact CG-CG2 3.78Å
105P93.6Very high91Very high48 Ų4839 Ų3931%0.31220%0.198SC..EExtended strand (participates in β ladder)trans-70.6-13.8-168.328.8-36.4000114.3A165 A168P105-A165 HydrophobicContact CB-CB 4.02Å; P105-A165 HydrophobicContact CG-CB 4.45Å; P105-A168 WeakPolarHBondContact O-CB 3.08Å
106N94.7Very high91.3Very high44 Ų4436.1 Ų36.124%0.23518%0.183CC..EExtended strand (participates in β ladder)trans-101.90.9173.172.6-36.2000113.7Q104 T161 Y162Q104-N106 PolarHBondContact O-N 3.11Å; Q104-N106 VanDerWaalsContact O-N 3.17Å; N106-T161 WeakPolarHBondContact ND2-CG2 3.45Å; N106-T161 WeakPolarHBondContact O-CA 3.28Å; N106-Y162 PolarHBondContact ND2-O 2.93Å; N106-Y162 PolarHBondContact O-N 3.11Å
107L95.4Very high91.4Very high20 Ų2032.2 Ų32.211%0.10516%0.163CC..EExtended strand (participates in β ladder)trans-105124.5179.1-175.769.4000109Q104 T161 L189 G190Q104-L107 HydrophobicContact CB-CB 3.64Å; Q104-L107 HydrophobicContact CB-CD2 4.2Å; Q104-L107 PolarHBondContact O-N 2.91Å; L107-T161 VanDerWaalsContact CD1-OG1 3.26Å; L107-T161 WeakPolarHBondContact CD1-OG1 3.45Å; L107-L189 CarbonylContact O-C 3.59Å; L107-L189 WeakPolarHBondContact O-CA 3.4Å; L107-G190 PolarHBondContact O-N 3.21Å
108I96.2Very high91.4Very high0 Ų032.2 Ų32.20%016%0.164CC..EExtended strand (participates in β ladder)trans-104.9148.5168.368.4167.1000110.8V110 F130 Y159 I160 Y162 A168 I172 V187 S188I108-V110 HydrophobicContact CD1-CG2 3.76Å; I108-V110 HydrophobicContact CG1-CG2 4.21Å; I108-F130 HydrophobicContact CD1-CD1 3.65Å; I108-F130 HydrophobicContact CD1-CE1 3.86Å; I108-Y159 WeakPolarHBondContact O-CA 3.28Å; I108-I160 HydrophobicContact CD1-CB 4.12Å; I108-I160 HydrophobicContact CD1-CD1 4.41Å; I108-I160 HydrophobicContact CG1-CB 3.71Å; I108-I160 HydrophobicContact CG1-CG2 4.43Å; I108-I160 PolarHBondContact N-O 3.49Å; I108-I160 PolarHBondContact O-N 3.18Å; I108-Y162 HydrophobicContact CD1-CE2 3.91Å; I108-Y162 HydrophobicContact CG1-CE2 4.11Å; I108-Y162 HydrophobicContact CG2-CE2 4.19Å; I108-A168 HydrophobicContact CG2-CB 3.8Å; I108-I172 HydrophobicContact CG2-CD1 3.88Å; I108-I172 HydrophobicContact CG2-CG1 3.84Å; I108-V187 HydrophobicContact CB-CG1 4.06Å; I108-V187 HydrophobicContact CD1-CG1 3.86Å; I108-V187 HydrophobicContact CG1-CG1 4.48Å; I108-V187 HydrophobicContact CG2-CG1 4.47Å; I108-S188 CarbonylContact C-O 3.32Å; I108-S188 VanDerWaalsContact CA-O 3.28Å; I108-S188 WeakPolarHBondContact CA-O 3.34Å
109F95.5Very high91.1Very high46 Ų4636.7 Ų36.720%0.20218%0.176CC..EExtended strand (participates in β ladder)trans-113.7123167.7178.5-122.5000108.7V111 Y159 V187 S188F109-V111 HydrophobicContact CD1-CG2 3.91Å; F109-V111 HydrophobicContact CE1-CG2 3.3Å; F109-V111 HydrophobicContact CE2-CG2 4.39Å; F109-V111 HydrophobicContact CZ-CG2 3.59Å; F109-Y159 HydrophobicContact CB-CD1 4.25Å; F109-Y159 HydrophobicContact CB-CE1 4.16Å; F109-Y159 AromaticContact CD2-CD1 3.7Å; F109-Y159 HydrophobicContact CD2-CD1 3.7Å; F109-Y159 HydrophobicContact CD2-CD2 4.42Å; F109-Y159 AromaticContact CD2-CE1 3.29Å; F109-Y159 HydrophobicContact CD2-CE1 3.29Å; F109-Y159 HydrophobicContact CD2-CE2 4.08Å; F109-Y159 HydrophobicContact CD2-CG 4.25Å; F109-Y159 AromaticContact CD2-CZ 3.5Å; F109-Y159 VanDerWaalsContact CD2-CZ 3.5Å; F109-Y159 AromaticContact CE2-CE1 3.86Å; F109-Y159 HydrophobicContact CE2-CE1 3.86Å; F109-Y159 AromaticContact CE2-CE2 3.98Å; F109-Y159 HydrophobicContact CE2-CE2 3.98Å; F109-Y159 AromaticContact CE2-CZ 3.54Å; F109-Y159 HydrophobicContact CG-CD1 4.37Å; F109-Y159 AromaticContact CG-CE1 3.93Å; F109-Y159 HydrophobicContact CG-CE1 3.93Å; F109-V187 WeakPolarHBondContact O-CA 3.33Å; F109-S188 PolarHBondContact N-O 3.45Å; F109-S188 PolarHBondContact O-N 3.34Å
110V94.3Very high91.1Very high0 Ų037.7 Ų37.70%018%0.184CC..EExtended strand (participates in β ladder)trans-110131-177.7-174.50000108.9I108 L113 F130 S157 A158 I160 R186 V187I108-V110 HydrophobicContact CD1-CG2 3.76Å; I108-V110 HydrophobicContact CG1-CG2 4.21Å; V110-L113 HydrophobicContact CB-CD1 4.45Å; V110-L113 HydrophobicContact CG1-CD1 4.18Å; V110-L113 HydrophobicContact CG1-CD2 3.82Å; V110-L113 HydrophobicContact CG1-CG 3.78Å; V110-F130 HydrophobicContact CB-CZ 4.41Å; V110-F130 HydrophobicContact CG1-CE1 4.43Å; V110-F130 HydrophobicContact CG1-CZ 3.86Å; V110-F130 HydrophobicContact CG2-CD1 4.48Å; V110-F130 HydrophobicContact CG2-CE1 3.61Å; V110-F130 HydrophobicContact CG2-CZ 3.73Å; V110-S157 CarbonylContact O-C 3.58Å; V110-S157 WeakPolarHBondContact O-CA 3.46Å; V110-S157 WeakPolarHBondContact O-CB 3.33Å; V110-A158 PolarHBondContact N-O 3.14Å; V110-A158 PolarHBondContact O-N 3.14Å; V110-I160 HydrophobicContact CG2-CD1 4.29Å; V110-R186 WeakPolarHBondContact CA-O 3.34Å; V110-V187 HydrophobicContact CG1-CG2 4.32Å; V110-V187 HydrophobicContact CG2-CG1 4.3Å; V110-V187 HydrophobicContact CG2-CG2 4.37Å
111V92.8Very high91.1Very high19 Ų1940.4 Ų40.412%0.11520%0.195CC..EExtended strand (participates in β ladder)trans-125.5141173.6-175.60000109.1F109 I185 R186F109-V111 HydrophobicContact CD1-CG2 3.91Å; F109-V111 HydrophobicContact CE1-CG2 3.3Å; F109-V111 HydrophobicContact CE2-CG2 4.39Å; F109-V111 HydrophobicContact CZ-CG2 3.59Å; V111-I185 WeakPolarHBondContact O-CA 3.24Å; V111-R186 PolarHBondContact N-O 3.12Å; V111-R186 PolarHBondContact O-N 3Å
112G90.1Very high91Very high8 Ų841.8 Ų41.88%0.08221%0.205CC..EExtended strand (participates in β ladder)trans104.910.6-18000000114.2S155 R183G112-S155 WeakPolarHBondContact CA-OG 3.42Å; G112-S155 PolarHBondContact O-OG 2.92Å; G112-R183 VanDerWaalsContact O-CD 3.31Å; G112-R183 WeakPolarHBondContact O-CD 3.46Å
113L91.2Very high90.9Very high0 Ų044.3 Ų44.30%022%0.218CC..EExtended strand (participates in β ladder)trans-65.3135.8-179.4-69.7175.4000111.4V110 I117 S118 L124 F130 S155 F156 A158 L180V110-L113 HydrophobicContact CB-CD1 4.45Å; V110-L113 HydrophobicContact CG1-CD1 4.18Å; V110-L113 HydrophobicContact CG1-CD2 3.82Å; V110-L113 HydrophobicContact CG1-CG 3.78Å; L113-I117 HydrophobicContact CB-CG2 4.39Å; L113-I117 HydrophobicContact CD2-CG2 4.36Å; L113-S118 WeakPolarHBondContact CB-OG 3.48Å; L113-L124 HydrophobicContact CD1-CD1 4.36Å; L113-L124 HydrophobicContact CD1-CD2 4.09Å; L113-L124 HydrophobicContact CD2-CD2 4.2Å; L113-F130 HydrophobicContact CD2-CE2 4.23Å; L113-F130 HydrophobicContact CD2-CZ 4.38Å; L113-S155 PolarHBondContact N-OG 3.25Å; L113-S155 WeakPolarHBondContact O-CA 3.4Å; L113-S155 PolarHBondContact O-OG 3.41Å; L113-F156 PolarHBondContact N-O 3.12Å; L113-F156 PolarHBondContact O-N 3.44Å; L113-A158 HydrophobicContact CD1-CB 3.59Å; L113-L180 HydrophobicContact CD2-CD2 3.92Å
114P87.4Confident90.8Very high11 Ų1144.1 Ų44.17%0.07122%0.217CC..  trans-58.8156.9166.5-25.233.9000113.1W116 I117 S118P114-W116 PolarHBondContact O-N 2.97Å; P114-I117 HydrophobicContact CB-CG2 4.12Å; P114-I117 HydrophobicContact CG-CG2 4.31Å; P114-I117 WeakPolarHBondContact O-CG2 3.27Å; P114-S118 PolarHBondContact O-OG 2.73Å
115T85.9Confident90.8Very high59 Ų5945.7 Ų45.736%0.36222%0.223SC..THydrogen-bonded Turntrans-64.3-37.8-175.856.10000114.1P154 F156T115-P154 HydrophobicContact CG2-CB 4.4Å; T115-P154 HydrophobicContact CG2-CG 3.69Å; T115-F156 HydrophobicContact CG2-CD2 4.47Å; T115-F156 HydrophobicContact CG2-CE2 3.87Å
116W86.9Confident90.6Very high111 Ų11144.7 Ų44.742%0.4222%0.222SC..THydrogen-bonded Turntrans-75.7-42.5-172.159.6-93.3000112.9P114 S118 K119 Y129 H181P114-W116 PolarHBondContact O-N 2.97Å; W116-S118 PolarHBondContact O-N 3.15Å; W116-K119 PolarHBondContact O-N 3.25Å; W116-Y129 WeakPolarHBondContact CH2-OH 3.38Å; W116-H181 AromaticContact CH2-CD2 3.98Å; W116-H181 AromaticContact CH2-CE1 3.87Å; W116-H181 AromaticContact CH2-NE2 3.47Å; W116-H181 WeakPolarHBondContact CH2-NE2 3.4Å; W116-H181 AromaticContact CZ2-CD2 3.44Å; W116-H181 VanDerWaalsContact CZ2-CD2 3.44Å; W116-H181 WeakPolarHBondContact CZ2-CD2 3.31Å; W116-H181 AromaticContact CZ2-CE1 3.76Å; W116-H181 AromaticContact CZ2-CG 3.84Å; W116-H181 AromaticContact CZ2-NE2 3.42Å; W116-H181 WeakPolarHBondContact CZ2-NE2 3.46Å
117I88.1Confident90.5Very high0 Ų049 Ų490%024%0.24CC..THydrogen-bonded Turntrans-65.5-26175.6-169174.7000112.1L113 P114 I123 L124 Y129 L180L113-I117 HydrophobicContact CB-CG2 4.39Å; L113-I117 HydrophobicContact CD2-CG2 4.36Å; P114-I117 HydrophobicContact CB-CG2 4.12Å; P114-I117 HydrophobicContact CG-CG2 4.31Å; P114-I117 WeakPolarHBondContact O-CG2 3.27Å; I117-I123 HydrophobicContact CD1-CG2 4.46Å; I117-I123 HydrophobicContact CG1-CB 4.46Å; I117-I123 HydrophobicContact CG1-CG2 3.84Å; I117-L124 HydrophobicContact CD1-CD2 3.77Å; I117-L124 HydrophobicContact CG1-CD2 3.76Å; I117-L124 HydrophobicContact CG1-CG 4.17Å; I117-Y129 HydrophobicContact CD1-CD1 3.38Å; I117-Y129 HydrophobicContact CD1-CD2 4.03Å; I117-Y129 HydrophobicContact CD1-CE1 3.53Å; I117-Y129 HydrophobicContact CD1-CE2 4.15Å; I117-Y129 HydrophobicContact CD1-CG 3.64Å; I117-L180 HydrophobicContact CD1-CD2 4.4Å
118S84.5Confident90.3Very high10 Ų1054 Ų547%0.0727%0.267CS..THydrogen-bonded Turntrans-82.2-6.2177.7-75.80000114.9L113 P114 W116L113-S118 WeakPolarHBondContact CB-OG 3.48Å; P114-S118 PolarHBondContact O-OG 2.73Å; W116-S118 PolarHBondContact O-N 3.15Å
119K83.9Confident90.1Very high161 Ų16155.9 Ų55.970%0.728%0.275SS*.THydrogen-bonded Turntrans-69.4-52.2173.8-67.6-176.9178.3-176.80111.3W116W116-K119 PolarHBondContact O-N 3.25Å
120D87.5Confident90Very high94 Ų9453.9 Ų53.950%0.50327%0.266SS..  trans-108.8111.1-170.5-61.3-46.9000111.4E122 I123D120-E122 PolarHBondContact O-N 3.16Å; D120-I123 HydrophobicContact CB-CD1 3.8Å; D120-I123 HydrophobicContact CB-CG1 3.83Å; D120-I123 PolarHBondContact O-N 3.48Å
121K90.5Very high90Very high77 Ų7754.2 Ų54.234%0.33527%0.269SS..Hα-helixtrans-54.5-28.7179-68.4-174.7170.8-160.20113.5K125 V139 E140K121-K125 PolarHBondContact O-N 3.29Å; K121-V139 HydrophobicContact CB-CG1 4.42Å; K121-V139 WeakPolarHBondContact CD-O 3.46Å; K121-V139 VanDerWaalsContact CE-O 3.31Å; K121-V139 WeakPolarHBondContact CE-O 3.49Å; K121-V139 HydrophobicContact CG-CG1 4.39Å; K121-V139 PolarHBondContact NZ-O 3.14Å; K121-E140 VanDerWaalsContact NZ-CD 3.29Å; K121-E140 IonicContact NZ-OE1 3.69Å; K121-E140 IonicContact NZ-OE2 2.7Å; K121-E140 PolarHBondContact NZ-OE2 2.93Å
122E91.4Very high90Very high119 Ų11959.5 Ų59.556%0.55629%0.287SS*.Hα-helixtrans-73.8-25.9179.4-51.8-45.8109.200113.2D120 K125 G126D120-E122 PolarHBondContact O-N 3.16Å; E122-K125 PolarHBondContact O-N 2.95Å; E122-K125 IonicContact OE1-NZ 3.74Å; E122-K125 PolarHBondContact OE1-NZ 3.03Å; E122-K125 WeakPolarHBondContact OE2-CD 3.37Å; E122-K125 IonicContact OE2-NZ 3.31Å; E122-K125 PolarHBondContact OE2-NZ 3.41Å; E122-G126 PolarHBondContact O-N 3.4Å; E122-G126 VanDerWaalsContact O-N 3.1Å
123I92.1Very high90.3Very high55 Ų5560 Ų6028%0.28229%0.287SS..Hα-helixtrans-66.6-45.2174.1-58.2175.9000109.5I117 D120 K125 G126 Y129I117-I123 HydrophobicContact CD1-CG2 4.46Å; I117-I123 HydrophobicContact CG1-CB 4.46Å; I117-I123 HydrophobicContact CG1-CG2 3.84Å; D120-I123 HydrophobicContact CB-CD1 3.8Å; D120-I123 HydrophobicContact CB-CG1 3.83Å; D120-I123 PolarHBondContact O-N 3.48Å; I123-K125 VanDerWaalsContact C-N 3.27Å; I123-K125 PolarHBondContact O-N 3.45Å; I123-G126 PolarHBondContact O-N 2.8Å; I123-Y129 HydrophobicContact CG2-CD2 3.8Å; I123-Y129 HydrophobicContact CG2-CE2 3.47Å; I123-Y129 VanDerWaalsContact CG2-CE2 3.47Å; I123-Y129 VanDerWaalsContact O-CD2 3.27Å; I123-Y129 WeakPolarHBondContact O-CD2 3.26Å
124L91.9Very high90.4Very high0 Ų061 Ų610%030%0.296CS..Hα-helixtrans-60.7-35.2176-71.2169.1000112.7L113 I117 G126 F130 V139 V141 A158L113-L124 HydrophobicContact CD1-CD1 4.36Å; L113-L124 HydrophobicContact CD1-CD2 4.09Å; L113-L124 HydrophobicContact CD2-CD2 4.2Å; I117-L124 HydrophobicContact CD1-CD2 3.77Å; I117-L124 HydrophobicContact CG1-CD2 3.76Å; I117-L124 HydrophobicContact CG1-CG 4.17Å; L124-G126 VanDerWaalsContact C-N 3.29Å; L124-F130 HydrophobicContact CD2-CD2 3.83Å; L124-F130 HydrophobicContact CD2-CE2 3.67Å; L124-F130 WeakPolarHBondContact O-CB 3.38Å; L124-F130 PolarHBondContact O-N 3.45Å; L124-V139 HydrophobicContact CB-CG1 4.34Å; L124-V139 HydrophobicContact CD1-CG1 3.94Å; L124-V141 HydrophobicContact CD1-CG2 3.61Å; L124-A158 HydrophobicContact CD1-CB 4.34Å
125K93Very high90.8Very high77 Ų7766.7 Ų66.734%0.33532%0.32SS..Hα-helixtrans-70.1-21.6173.2-72.5167.1170.6170.60113.8K121 E122 I123 G131 I136 V139K121-K125 PolarHBondContact O-N 3.29Å; E122-K125 PolarHBondContact O-N 2.95Å; E122-K125 IonicContact OE1-NZ 3.74Å; E122-K125 PolarHBondContact OE1-NZ 3.03Å; E122-K125 WeakPolarHBondContact OE2-CD 3.37Å; E122-K125 IonicContact OE2-NZ 3.31Å; E122-K125 PolarHBondContact OE2-NZ 3.41Å; I123-K125 VanDerWaalsContact C-N 3.27Å; I123-K125 PolarHBondContact O-N 3.45Å; K125-G131 WeakPolarHBondContact O-CA 3.38Å; K125-I136 HydrophobicContact CG-CB 4.45Å; K125-I136 HydrophobicContact CG-CG2 4.08Å; K125-V139 HydrophobicContact CG-CG2 3.75Å
126G90.5Very high91.3Very high27 Ų2764.9 Ų64.928%0.27831%0.308SS..SBendtrans-61.8150.9-174.100000113.4E122 I123 L124 N128 Y129 G131E122-G126 PolarHBondContact O-N 3.4Å; E122-G126 VanDerWaalsContact O-N 3.1Å; I123-G126 PolarHBondContact O-N 2.8Å; L124-G126 VanDerWaalsContact C-N 3.29Å; G126-N128 PolarHBondContact O-N 3.26Å; G126-Y129 PolarHBondContact O-N 2.88Å; G126-G131 PolarHBondContact O-N 3.18Å
127Q91.9Very high91.5Very high135 Ų13565.3 Ų65.363%0.63131%0.313SS*.THydrogen-bonded Turntrans-58.7-21.4178.7-162.766.211.100112.9Y129 G131 R132Q127-Y129 VanDerWaalsContact C-N 3.28Å; Q127-Y129 PolarHBondContact O-N 2.99Å; Q127-G131 PolarHBondContact OE1-O 3.24Å; Q127-R132 WeakPolarHBondContact O-CB 3.38Å
128N90Very high91.8Very high124 Ų12467.1 Ų67.166%0.66332%0.321SS*.THydrogen-bonded Turntrans-73.8-17.4177.1-62.5-7000113.1G126 R132G126-N128 PolarHBondContact O-N 3.26Å; N128-R132 PolarHBondContact O-NH2 3.28Å
129Y91.8Very high92.2Very high41 Ų4166.9 Ų66.916%0.16132%0.319CS..THydrogen-bonded Turntrans-123.4-117.5-177.2-57.6-77.5000110.6W116 I117 I123 G126 Q127 R132 L180 H181W116-Y129 WeakPolarHBondContact CH2-OH 3.38Å; I117-Y129 HydrophobicContact CD1-CD1 3.38Å; I117-Y129 HydrophobicContact CD1-CD2 4.03Å; I117-Y129 HydrophobicContact CD1-CE1 3.53Å; I117-Y129 HydrophobicContact CD1-CE2 4.15Å; I117-Y129 HydrophobicContact CD1-CG 3.64Å; I123-Y129 HydrophobicContact CG2-CD2 3.8Å; I123-Y129 HydrophobicContact CG2-CE2 3.47Å; I123-Y129 VanDerWaalsContact CG2-CE2 3.47Å; I123-Y129 VanDerWaalsContact O-CD2 3.27Å; I123-Y129 WeakPolarHBondContact O-CD2 3.26Å; G126-Y129 PolarHBondContact O-N 2.88Å; Q127-Y129 VanDerWaalsContact C-N 3.28Å; Q127-Y129 PolarHBondContact O-N 2.99Å; Y129-R132 VanDerWaalsContact O-CG 3.29Å; Y129-R132 WeakPolarHBondContact O-CG 3.31Å; Y129-R132 PolarHBondContact O-N 3.49Å; Y129-R132 PolarHBondContact O-NE 2.99Å; Y129-R132 VanDerWaalsContact O-NE 3.09Å; Y129-L180 HydrophobicContact CD1-CD1 4.18Å; Y129-L180 HydrophobicContact CE1-CD1 4.19Å; Y129-H181 AromaticContact CE1-NE2 3.74Å
130F94.1Very high92.6Very high4 Ų461.9 Ų61.92%0.01830%0.298CS..G310 helixtrans-75.8-24.5-173.9-63.7-89.7000112.6I108 V110 L113 L124 R132 Y133 I136 I160 Y162 L175I108-F130 HydrophobicContact CD1-CD1 3.65Å; I108-F130 HydrophobicContact CD1-CE1 3.86Å; V110-F130 HydrophobicContact CB-CZ 4.41Å; V110-F130 HydrophobicContact CG1-CE1 4.43Å; V110-F130 HydrophobicContact CG1-CZ 3.86Å; V110-F130 HydrophobicContact CG2-CD1 4.48Å; V110-F130 HydrophobicContact CG2-CE1 3.61Å; V110-F130 HydrophobicContact CG2-CZ 3.73Å; L113-F130 HydrophobicContact CD2-CE2 4.23Å; L113-F130 HydrophobicContact CD2-CZ 4.38Å; L124-F130 HydrophobicContact CD2-CD2 3.83Å; L124-F130 HydrophobicContact CD2-CE2 3.67Å; L124-F130 WeakPolarHBondContact O-CB 3.38Å; L124-F130 PolarHBondContact O-N 3.45Å; F130-R132 PolarHBondContact O-N 3.31Å; F130-R132 VanDerWaalsContact O-N 3.09Å; F130-Y133 PolarHBondContact O-N 3.43Å; F130-I136 HydrophobicContact CB-CD1 3.74Å; F130-I160 HydrophobicContact CB-CD1 3.96Å; F130-I160 HydrophobicContact CD1-CD1 3.85Å; F130-I160 HydrophobicContact CD2-CD1 3.55Å; F130-I160 HydrophobicContact CE1-CD1 4.27Å; F130-I160 HydrophobicContact CE2-CD1 4.02Å; F130-I160 HydrophobicContact CG-CD1 3.48Å; F130-I160 VanDerWaalsContact CG-CD1 3.48Å; F130-I160 HydrophobicContact CZ-CD1 4.37Å; F130-Y162 PolarHBondContact O-OH 3.01Å; F130-Y162 VanDerWaalsContact O-OH 3.14Å; F130-L175 HydrophobicContact CD1-CD1 3.64Å; F130-L175 HydrophobicContact CE1-CD1 3.27Å; F130-L175 HydrophobicContact CZ-CD1 4.02Å
131G94.1Very high92.9Very high7 Ų758.5 Ų58.57%0.07228%0.281CS..G310 helixtrans-57-25174.800000114K125 G126 Q127 Y133 G134K125-G131 WeakPolarHBondContact O-CA 3.38Å; G126-G131 PolarHBondContact O-N 3.18Å; Q127-G131 PolarHBondContact OE1-O 3.24Å; G131-Y133 PolarHBondContact O-N 3.13Å; G131-Y133 VanDerWaalsContact O-N 3.07Å; G131-G134 PolarHBondContact O-N 2.92Å
132R93.7Very high92.8Very high129 Ų12957.2 Ų57.249%0.48728%0.278SS..G310 helixtrans-56.1-28.6179.382177.968.5179.7-3.8114.1Q127 N128 Y129 F130Q127-R132 WeakPolarHBondContact O-CB 3.38Å; N128-R132 PolarHBondContact O-NH2 3.28Å; Y129-R132 VanDerWaalsContact O-CG 3.29Å; Y129-R132 WeakPolarHBondContact O-CG 3.31Å; Y129-R132 PolarHBondContact O-N 3.49Å; Y129-R132 PolarHBondContact O-NE 2.99Å; Y129-R132 VanDerWaalsContact O-NE 3.09Å; F130-R132 PolarHBondContact O-N 3.31Å; F130-R132 VanDerWaalsContact O-N 3.09Å
133Y95.2Very high92.2Very high19 Ų1959.6 Ų59.68%0.07529%0.289CS..G310 helixtrans-86.5-22.2-174.3-63.7-71.1000113.8F130 G131 R170 D174 L175F130-Y133 PolarHBondContact O-N 3.43Å; G131-Y133 PolarHBondContact O-N 3.13Å; G131-Y133 VanDerWaalsContact O-N 3.07Å; Y133-R170 HydrophobicContact CD1-CB 3.79Å; Y133-R170 PolarHBondContact O-NH2 3.33Å; Y133-R170 VanDerWaalsContact O-NH2 3.17Å; Y133-D174 HydrophobicContact CE1-CB 3.8Å; Y133-D174 WeakPolarHBondContact CE1-OD2 3.31Å; Y133-D174 WeakPolarHBondContact OH-CB 3.36Å; Y133-L175 HydrophobicContact CE2-CD1 3.73Å; Y133-L175 HydrophobicContact CE2-CD2 4.23Å; Y133-L175 HydrophobicContact CE2-CG 3.84Å; Y133-L175 WeakPolarHBondContact OH-CD2 3.26Å; Y133-L175 WeakPolarHBondContact OH-CG 3.44Å
134G94.6Very high91.3Very high20 Ų2062.9 Ų62.921%0.20631%0.307CS..SBendtrans157.1177.7-176.100000112.8G131 I136 D167G131-G134 PolarHBondContact O-N 2.92Å; G134-I136 PolarHBondContact O-N 3.48Å; G134-D167 WeakPolarHBondContact CA-OD2 3.31Å
135K95.5Very high90.2Very high131 Ų13169.3 Ų69.357%0.5734%0.337SS*.  trans-70.2124.8-175.2-166.1-175179.1-161.40110.2Y163K135-Y163 HydrophobicContact CB-CD2 3.83Å; K135-Y163 HydrophobicContact CB-CE2 4.46Å; K135-Y163 HydrophobicContact CB-CG 4.37Å; K135-Y163 HydrophobicContact CD-CD2 3.6Å; K135-Y163 HydrophobicContact CD-CE2 3.43Å; K135-Y163 VanDerWaalsContact CD-CE2 3.43Å; K135-Y163 HydrophobicContact CD-CG 4.25Å; K135-Y163 VanDerWaalsContact CE-CE2 3.47Å; K135-Y163 HydrophobicContact CG-CD2 3.59Å; K135-Y163 HydrophobicContact CG-CE2 3.73Å; K135-Y163 HydrophobicContact CG-CG 4.47Å; K135-Y163 PolarHBondContact NZ-OH 2.92Å; K135-Y163 WeakPolarHBondContact O-CD2 3.44Å; K135-Y163 PolarHBondContact O-N 2.96Å
136I95.5Very high88.8Confident21 Ų2167.9 Ų67.911%0.10834%0.335CS..EExtended strand (participates in β ladder)trans-85.8133174-69.4162.9000109.6K125 F130 G134 V139 I160 Y162K125-I136 HydrophobicContact CG-CB 4.45Å; K125-I136 HydrophobicContact CG-CG2 4.08Å; F130-I136 HydrophobicContact CB-CD1 3.74Å; G134-I136 PolarHBondContact O-N 3.48Å; I136-V139 HydrophobicContact CG2-CG2 3.64Å; I136-I160 HydrophobicContact CD1-CG2 3.82Å; I136-I160 HydrophobicContact CG1-CG2 3.83Å; I136-I160 HydrophobicContact CG2-CG2 3.92Å; I136-Y162 HydrophobicContact CD1-CE1 4.27Å; I136-Y162 HydrophobicContact CG1-CD1 3.85Å; I136-Y162 HydrophobicContact CG1-CE1 3.72Å
137F92.7Very high87.4Confident120 Ų12073 Ų7353%0.52635%0.35SS..EExtended strand (participates in β ladder)trans-88.3-48.2175.5178.5-102.6000111.3T161 Y163F137-T161 HydrophobicContact CB-CG2 4.43Å; F137-T161 HydrophobicContact CD1-CG2 4.25Å; F137-T161 PolarHBondContact N-O 2.86Å; F137-Y163 HydrophobicContact CB-CD2 3.85Å; F137-Y163 HydrophobicContact CB-CE2 3.9Å; F137-Y163 HydrophobicContact CB-CG 4.49Å; F137-Y163 HydrophobicContact CD2-CE1 4.19Å; F137-Y163 AromaticContact CD2-CE2 3.97Å; F137-Y163 HydrophobicContact CD2-CE2 3.97Å; F137-Y163 AromaticContact CD2-CZ 3.8Å; F137-Y163 HydrophobicContact CG-CE2 4.46Å
138K92.8Very high85.7Confident38 Ų3869.1 Ų69.117%0.16535%0.346CS..EExtended strand (participates in β ladder)trans-146.7147.6-175.6-171.7156.2-177.9153.90112.2E140 T161 E208K138-E140 WeakPolarHBondContact CE-OE1 3.32Å; K138-E140 HydrophobicContact CG-CG 4.45Å; K138-E140 IonicContact NZ-OE1 2.67Å; K138-E140 PolarHBondContact NZ-OE1 2.89Å; K138-T161 PolarHBondContact N-O 3.06Å; K138-T161 PolarHBondContact O-N 2.9Å; K138-E208 IonicContact NZ-OE2 3.98Å; K138-E208 PolarHBondContact NZ-OE2 2.99Å
139V94Very high84.2Confident5 Ų564.1 Ų64.13%0.0332%0.323CS..EExtended strand (participates in β ladder)trans-131.7125.4173.2179.70000109.1K121 L124 K125 I136 V141 Y159 I160K121-V139 HydrophobicContact CB-CG1 4.42Å; K121-V139 WeakPolarHBondContact CD-O 3.46Å; K121-V139 VanDerWaalsContact CE-O 3.31Å; K121-V139 WeakPolarHBondContact CE-O 3.49Å; K121-V139 HydrophobicContact CG-CG1 4.39Å; K121-V139 PolarHBondContact NZ-O 3.14Å; L124-V139 HydrophobicContact CB-CG1 4.34Å; L124-V139 HydrophobicContact CD1-CG1 3.94Å; K125-V139 HydrophobicContact CG-CG2 3.75Å; I136-V139 HydrophobicContact CG2-CG2 3.64Å; V139-V141 HydrophobicContact CG1-CG2 4.25Å; V139-Y159 WeakPolarHBondContact CA-O 3.33Å; V139-I160 HydrophobicContact CG1-CG1 4.31Å; V139-I160 HydrophobicContact CG2-CG1 4.3Å; V139-I160 HydrophobicContact CG2-CG2 4.38Å
140E92.5Very high82.6Confident56 Ų5667.7 Ų67.726%0.26235%0.352SS..EExtended strand (participates in β ladder)trans-125.2109.6170.8-64.8-61.5169.100109.4K121 K138 A158 Y159 M210K121-E140 VanDerWaalsContact NZ-CD 3.29Å; K121-E140 IonicContact NZ-OE1 3.69Å; K121-E140 IonicContact NZ-OE2 2.7Å; K121-E140 PolarHBondContact NZ-OE2 2.93Å; K138-E140 WeakPolarHBondContact CE-OE1 3.32Å; K138-E140 HydrophobicContact CG-CG 4.45Å; K138-E140 IonicContact NZ-OE1 2.67Å; K138-E140 PolarHBondContact NZ-OE1 2.89Å; E140-A158 WeakPolarHBondContact O-CA 3.15Å; E140-Y159 PolarHBondContact N-O 3.38Å; E140-Y159 PolarHBondContact O-N 3.4Å; E140-M210 HydrophobicContact CG-SD 4.26Å
141V92.7Very high81.1Confident23 Ų2375 Ų7514%0.13939%0.386CS..EExtended strand (participates in β ladder)trans-85.2125.5174.2-178.20000108.1L124 V139 Q143 F156 A158L124-V141 HydrophobicContact CD1-CG2 3.61Å; V139-V141 HydrophobicContact CG1-CG2 4.25Å; V141-Q143 PolarHBondContact O-N 3.02Å; V141-F156 HydrophobicContact CG1-CB 4.25Å; V141-A158 HydrophobicContact CG2-CB 4.23Å
142N88.3Confident79.9Confident51 Ų5177.7 Ų77.727%0.27341%0.414SS..EExtended strand (participates in β ladder)trans-74.9114.6171.7-178.611.5000108.9N144 F156 S157N142-N144 PolarHBondContact O-N 3.18Å; N142-N144 WeakPolarHBondContact OD1-CB 3.49Å; N142-N144 PolarHBondContact OD1-N 3.4Å; N142-N144 VanDerWaalsContact OD1-N 3.09Å; N142-F156 WeakPolarHBondContact O-CD1 3.46Å; N142-S157 WeakPolarHBondContact CB-O 3.42Å; N142-S157 WeakPolarHBondContact CB-OG 3.29Å; N142-S157 PolarHBondContact N-O 2.75Å; N142-S157 PolarHBondContact ND2-OG 3.36Å
143Q80Confident78.8Confident169 Ų16976.5 Ų76.579%0.7941%0.414SS*.EExtended strand (participates in β ladder)trans-73.9-14.7179.9-63.6-179.3-2.100112.6V141 Q145 F156V141-Q143 PolarHBondContact O-N 3.02Å; Q143-Q145 PolarHBondContact O-N 2.85Å; Q143-F156 WeakPolarHBondContact O-CE1 3.45Å
144N73.1Confident78Confident124 Ų12478 Ų7866%0.66343%0.426SS*.EExtended strand (participates in β ladder)trans-74.8112.5173.8-63.628.5000108.9N142 T146N142-N144 PolarHBondContact O-N 3.18Å; N142-N144 WeakPolarHBondContact OD1-CB 3.49Å; N142-N144 PolarHBondContact OD1-N 3.4Å; N142-N144 VanDerWaalsContact OD1-N 3.09Å; N144-T146 PolarHBondContact O-N 2.92Å; N144-T146 PolarHBondContact O-OG1 3.42Å
145Q68.8Low77.6Confident135 Ų13577.1 Ų77.163%0.63142%0.416SS*.EExtended strand (participates in β ladder)trans-53.9114177.2-60.2178.427.100109.1Q143 P154 S155 F156Q143-Q145 PolarHBondContact O-N 2.85Å; Q145-P154 HydrophobicContact CG-CB 4.29Å; Q145-P154 VanDerWaalsContact OE1-CB 3.26Å; Q145-S155 CarbonylContact C-O 3.54Å; Q145-S155 WeakPolarHBondContact CA-O 3.48Å; Q145-F156 HydrophobicContact CG-CE1 3.88Å; Q145-F156 HydrophobicContact CG-CZ 4.3Å
146T62.1Low77.3Confident46 Ų4672.6 Ų72.628%0.28240%0.397SS..EExtended strand (participates in β ladder)trans-92.1-28.8-160.2-41.70000112.3N144 S155 S157N144-T146 PolarHBondContact O-N 2.92Å; N144-T146 PolarHBondContact O-OG1 3.42Å; T146-S155 PolarHBondContact N-O 2.9Å; T146-S157 WeakPolarHBondContact OG1-CB 3.35Å; T146-S157 PolarHBondContact OG1-OG 3.05Å
147F61.3Low77.2Confident135 Ų13571.6 Ų71.659%0.59239%0.392SS*.EExtended strand (participates in β ladder)trans-155.4144.1173.6-95.4-84.7000110.3S155F147-S155 WeakPolarHBondContact O-CB 3.38Å; F147-S155 PolarHBondContact O-N 3.39Å; F147-S155 VanDerWaalsContact O-N 3.16Å
148G56.9Low77.2Confident54 Ų5465.9 Ų65.956%0.55737%0.367SS*.EExtended strand (participates in β ladder)trans-67138.9156.800000109.7
149G58.3Low77.4Confident18 Ų1867.5 Ų67.519%0.18637%0.372CS..  trans-78.1179.5175.100000112.5Q151 G152 Q153 R183G149-Q151 PolarHBondContact O-N 2.86Å; G149-G152 PolarHBondContact O-N 2.85Å; G149-Q153 PolarHBondContact N-O 3.42Å; G149-R183 VanDerWaalsContact CA-NH2 3.27Å; G149-R183 VanDerWaalsContact N-NH2 3.13Å
150P59.4Low77.4Confident117 Ų11767.2 Ų67.276%0.7637%0.37SS*.THydrogen-bonded Turntrans-59.10.5174.5-24.335.1000116
151Q61.9Low77.6Confident158 Ų15865.9 Ų65.974%0.73837%0.366SS*.THydrogen-bonded Turntrans-135.126179-63-179.8-16.100111.3G149 Q153G149-Q151 PolarHBondContact O-N 2.86Å; Q151-Q153 PolarHBondContact O-N 3.38Å
152G69.1Low77.8Confident63 Ų6364.9 Ų64.965%0.64936%0.36SS*.SBendtrans68.9-16.2-177.800000115.8G149G149-G152 PolarHBondContact O-N 2.85Å
153Q70.1Confident78.1Confident104 Ų10468.4 Ų68.449%0.48637%0.37SS..  trans-52.2136.5-179.1-66.5-172.612.500111.7G149 Q151 R183G149-Q153 PolarHBondContact N-O 3.42Å; Q151-Q153 PolarHBondContact O-N 3.38Å; Q153-R183 PolarHBondContact O-NH1 3.27Å; Q153-R183 PolarHBondContact O-NH2 2.94Å
154P79.2Confident78.9Confident50 Ų5066.7 Ų66.733%0.32536%0.357SS..EExtended strand (participates in β ladder)trans-63.4144.317727.1-36000111.4T115 Q145 R183T115-P154 HydrophobicContact CG2-CB 4.4Å; T115-P154 HydrophobicContact CG2-CG 3.69Å; Q145-P154 HydrophobicContact CG-CB 4.29Å; Q145-P154 VanDerWaalsContact OE1-CB 3.26Å; P154-R183 PolarHBondContact O-NH1 2.71Å; P154-R183 PolarHBondContact O-NH2 2.87Å
155S85.2Confident79.9Confident1 Ų162 Ų621%0.00734%0.335CS..EExtended strand (participates in β ladder)trans-125.6144.7169.1-120.50000111.6G112 L113 Q145 T146 F147 R183G112-S155 WeakPolarHBondContact CA-OG 3.42Å; G112-S155 PolarHBondContact O-OG 2.92Å; L113-S155 PolarHBondContact N-OG 3.25Å; L113-S155 WeakPolarHBondContact O-CA 3.4Å; L113-S155 PolarHBondContact O-OG 3.41Å; Q145-S155 CarbonylContact C-O 3.54Å; Q145-S155 WeakPolarHBondContact CA-O 3.48Å; T146-S155 PolarHBondContact N-O 2.9Å; F147-S155 WeakPolarHBondContact O-CB 3.38Å; F147-S155 PolarHBondContact O-N 3.39Å; F147-S155 VanDerWaalsContact O-N 3.16Å; S155-R183 PolarHBondContact OG-NE 3.24Å; S155-R183 PolarHBondContact OG-NH2 3.37Å
156F90.1Very high81.2Confident37 Ų3758.9 Ų58.916%0.16232%0.32CS..EExtended strand (participates in β ladder)trans-98.1166.1167.6-60.5-74.4000111L113 T115 V141 N142 Q143 Q145L113-F156 PolarHBondContact N-O 3.12Å; L113-F156 PolarHBondContact O-N 3.44Å; T115-F156 HydrophobicContact CG2-CD2 4.47Å; T115-F156 HydrophobicContact CG2-CE2 3.87Å; V141-F156 HydrophobicContact CG1-CB 4.25Å; N142-F156 WeakPolarHBondContact O-CD1 3.46Å; Q143-F156 WeakPolarHBondContact O-CE1 3.45Å; Q145-F156 HydrophobicContact CG-CE1 3.88Å; Q145-F156 HydrophobicContact CG-CZ 4.3Å
157S92.3Very high82.8Confident0 Ų057 Ų570%031%0.309CS..EExtended strand (participates in β ladder)trans-120157.1167.851.80000110.1V110 N142 T146V110-S157 CarbonylContact O-C 3.58Å; V110-S157 WeakPolarHBondContact O-CA 3.46Å; V110-S157 WeakPolarHBondContact O-CB 3.33Å; N142-S157 WeakPolarHBondContact CB-O 3.42Å; N142-S157 WeakPolarHBondContact CB-OG 3.29Å; N142-S157 PolarHBondContact N-O 2.75Å; N142-S157 PolarHBondContact ND2-OG 3.36Å; T146-S157 WeakPolarHBondContact OG1-CB 3.35Å; T146-S157 PolarHBondContact OG1-OG 3.05Å
158A94.3Very high84.5Confident0 Ų050.6 Ų50.60%028%0.28CS..EExtended strand (participates in β ladder)trans-142.5144.2179.800000112.1V110 L113 L124 E140 V141V110-A158 PolarHBondContact N-O 3.14Å; V110-A158 PolarHBondContact O-N 3.14Å; L113-A158 HydrophobicContact CD1-CB 3.59Å; L124-A158 HydrophobicContact CD1-CB 4.34Å; E140-A158 WeakPolarHBondContact O-CA 3.15Å; V141-A158 HydrophobicContact CG2-CB 4.23Å
159Y95.4Very high86.3Confident71 Ų7148.4 Ų48.428%0.27826%0.256SS..EExtended strand (participates in β ladder)trans-99.8123.5168.5-62.1-83000108.5I108 F109 V139 E140I108-Y159 WeakPolarHBondContact O-CA 3.28Å; F109-Y159 HydrophobicContact CB-CD1 4.25Å; F109-Y159 HydrophobicContact CB-CE1 4.16Å; F109-Y159 AromaticContact CD2-CD1 3.7Å; F109-Y159 HydrophobicContact CD2-CD1 3.7Å; F109-Y159 HydrophobicContact CD2-CD2 4.42Å; F109-Y159 AromaticContact CD2-CE1 3.29Å; F109-Y159 HydrophobicContact CD2-CE1 3.29Å; F109-Y159 HydrophobicContact CD2-CE2 4.08Å; F109-Y159 HydrophobicContact CD2-CG 4.25Å; F109-Y159 AromaticContact CD2-CZ 3.5Å; F109-Y159 VanDerWaalsContact CD2-CZ 3.5Å; F109-Y159 AromaticContact CE2-CE1 3.86Å; F109-Y159 HydrophobicContact CE2-CE1 3.86Å; F109-Y159 AromaticContact CE2-CE2 3.98Å; F109-Y159 HydrophobicContact CE2-CE2 3.98Å; F109-Y159 AromaticContact CE2-CZ 3.54Å; F109-Y159 HydrophobicContact CG-CD1 4.37Å; F109-Y159 AromaticContact CG-CE1 3.93Å; F109-Y159 HydrophobicContact CG-CE1 3.93Å; V139-Y159 WeakPolarHBondContact CA-O 3.33Å; E140-Y159 PolarHBondContact N-O 3.38Å; E140-Y159 PolarHBondContact O-N 3.4Å
160I95.6Very high88Confident0 Ų051.8 Ų51.80%026%0.263CS..EExtended strand (participates in β ladder)trans-124.7121.5-179.7-59175.6000108I108 V110 F130 I136 V139 Y162I108-I160 HydrophobicContact CD1-CB 4.12Å; I108-I160 HydrophobicContact CD1-CD1 4.41Å; I108-I160 HydrophobicContact CG1-CB 3.71Å; I108-I160 HydrophobicContact CG1-CG2 4.43Å; I108-I160 PolarHBondContact N-O 3.49Å; I108-I160 PolarHBondContact O-N 3.18Å; V110-I160 HydrophobicContact CG2-CD1 4.29Å; F130-I160 HydrophobicContact CB-CD1 3.96Å; F130-I160 HydrophobicContact CD1-CD1 3.85Å; F130-I160 HydrophobicContact CD2-CD1 3.55Å; F130-I160 HydrophobicContact CE1-CD1 4.27Å; F130-I160 HydrophobicContact CE2-CD1 4.02Å; F130-I160 HydrophobicContact CG-CD1 3.48Å; F130-I160 VanDerWaalsContact CG-CD1 3.48Å; F130-I160 HydrophobicContact CZ-CD1 4.37Å; I136-I160 HydrophobicContact CD1-CG2 3.82Å; I136-I160 HydrophobicContact CG1-CG2 3.83Å; I136-I160 HydrophobicContact CG2-CG2 3.92Å; V139-I160 HydrophobicContact CG1-CG1 4.31Å; V139-I160 HydrophobicContact CG2-CG1 4.3Å; V139-I160 HydrophobicContact CG2-CG2 4.38Å; I160-Y162 HydrophobicContact CG2-CE2 4.22Å
161T95.5Very high89.7Confident28 Ų2846.2 Ų46.217%0.17223%0.227CC..EExtended strand (participates in β ladder)trans-103121.6179.3-45.80000109.3N106 L107 F137 K138N106-T161 WeakPolarHBondContact ND2-CG2 3.45Å; N106-T161 WeakPolarHBondContact O-CA 3.28Å; L107-T161 VanDerWaalsContact CD1-OG1 3.26Å; L107-T161 WeakPolarHBondContact CD1-OG1 3.45Å; F137-T161 HydrophobicContact CB-CG2 4.43Å; F137-T161 HydrophobicContact CD1-CG2 4.25Å; F137-T161 PolarHBondContact N-O 2.86Å; K138-T161 PolarHBondContact N-O 3.06Å; K138-T161 PolarHBondContact O-N 2.9Å
162Y97Very high91.3Very high1 Ų138.7 Ų38.70%0.00419%0.192CC..EExtended strand (participates in β ladder)trans-89.5159172.6-69.5-90.3000111.8N106 I108 F130 I136 I160 R164 D167 A168 S171N106-Y162 PolarHBondContact ND2-O 2.93Å; N106-Y162 PolarHBondContact O-N 3.11Å; I108-Y162 HydrophobicContact CD1-CE2 3.91Å; I108-Y162 HydrophobicContact CG1-CE2 4.11Å; I108-Y162 HydrophobicContact CG2-CE2 4.19Å; F130-Y162 PolarHBondContact O-OH 3.01Å; F130-Y162 VanDerWaalsContact O-OH 3.14Å; I136-Y162 HydrophobicContact CD1-CE1 4.27Å; I136-Y162 HydrophobicContact CG1-CD1 3.85Å; I136-Y162 HydrophobicContact CG1-CE1 3.72Å; I160-Y162 HydrophobicContact CG2-CE2 4.22Å; Y162-R164 VanDerWaalsContact C-N 3.26Å; Y162-R164 WeakPolarHBondContact CB-O 3.32Å; Y162-R164 PolarHBondContact O-N 3.09Å; Y162-D167 HydrophobicContact CD1-CB 3.72Å; Y162-D167 HydrophobicContact CE1-CB 4.34Å; Y162-D167 HydrophobicContact CG-CB 4Å; Y162-A168 HydrophobicContact CD2-CB 3.62Å; Y162-A168 HydrophobicContact CE2-CB 4.18Å; Y162-A168 HydrophobicContact CG-CB 4.35Å; Y162-S171 WeakPolarHBondContact CE2-OG 3.32Å; Y162-S171 WeakPolarHBondContact OH-CB 3.48Å; Y162-S171 PolarHBondContact OH-OG 2.76Å
163Y95.3Very high92.5Very high125 Ų12539.9 Ų39.949%0.4918%0.177SC..SBendtrans-69.6-20.7170.5-89.2-95.4000113.5K135 F137K135-Y163 HydrophobicContact CB-CD2 3.83Å; K135-Y163 HydrophobicContact CB-CE2 4.46Å; K135-Y163 HydrophobicContact CB-CG 4.37Å; K135-Y163 HydrophobicContact CD-CD2 3.6Å; K135-Y163 HydrophobicContact CD-CE2 3.43Å; K135-Y163 VanDerWaalsContact CD-CE2 3.43Å; K135-Y163 HydrophobicContact CD-CG 4.25Å; K135-Y163 VanDerWaalsContact CE-CE2 3.47Å; K135-Y163 HydrophobicContact CG-CD2 3.59Å; K135-Y163 HydrophobicContact CG-CE2 3.73Å; K135-Y163 HydrophobicContact CG-CG 4.47Å; K135-Y163 PolarHBondContact NZ-OH 2.92Å; K135-Y163 WeakPolarHBondContact O-CD2 3.44Å; K135-Y163 PolarHBondContact O-N 2.96Å; F137-Y163 HydrophobicContact CB-CD2 3.85Å; F137-Y163 HydrophobicContact CB-CE2 3.9Å; F137-Y163 HydrophobicContact CB-CG 4.49Å; F137-Y163 HydrophobicContact CD2-CE1 4.19Å; F137-Y163 AromaticContact CD2-CE2 3.97Å; F137-Y163 HydrophobicContact CD2-CE2 3.97Å; F137-Y163 AromaticContact CD2-CZ 3.8Å; F137-Y163 HydrophobicContact CG-CE2 4.46Å
164R96Very high93.5Very high134 Ų13439.3 Ų39.351%0.50618%0.177SC..SBendtrans-131.4149178.6-57.5176.266168.71110.6Y162 E166 D167Y162-R164 VanDerWaalsContact C-N 3.26Å; Y162-R164 WeakPolarHBondContact CB-O 3.32Å; Y162-R164 PolarHBondContact O-N 3.09Å; R164-E166 IonicContact CZ-OE2 2.78Å; R164-E166 IonicContact NE-OE2 2.68Å; R164-E166 PolarHBondContact NE-OE2 2.78Å; R164-E166 IonicContact NH2-OE2 3.53Å; R164-E166 PolarHBondContact NH2-OE2 3.36Å; R164-D167 HydrophobicContact CB-CB 4.34Å
165A94.8Very high94.2Very high26 Ų2638 Ų3822%0.21517%0.167CC..Hα-helixtrans-67.7-40.6171.800000110.7P105 D167 A168 M169P105-A165 HydrophobicContact CB-CB 4.02Å; P105-A165 HydrophobicContact CG-CB 4.45Å; A165-D167 PolarHBondContact O-N 3.01Å; A165-A168 WeakPolarHBondContact O-CA 3.4Å; A165-A168 WeakPolarHBondContact O-CB 3.12Å; A165-A168 PolarHBondContact O-N 3.01Å; A165-M169 WeakPolarHBondContact O-CB 3.18Å; A165-M169 WeakPolarHBondContact O-CG 3.34Å; A165-M169 PolarHBondContact O-N 2.95Å
166E95.3Very high94.4Very high68 Ų6840.6 Ų40.632%0.31818%0.181SC..Hα-helixtrans-58-23.4179.5-50.685.7-91.400113.7R164 R170 F243R164-E166 IonicContact CZ-OE2 2.78Å; R164-E166 IonicContact NE-OE2 2.68Å; R164-E166 PolarHBondContact NE-OE2 2.78Å; R164-E166 IonicContact NH2-OE2 3.53Å; R164-E166 PolarHBondContact NH2-OE2 3.36Å; E166-R170 WeakPolarHBondContact O-CG 3.43Å; E166-R170 PolarHBondContact O-N 3.1Å; E166-R170 PolarHBondContact O-NE 2.95Å; E166-F243 HydrophobicContact CB-CE2 3.7Å; E166-F243 HydrophobicContact CB-CZ 3.85Å; E166-F243 HydrophobicContact CG-CE2 3.94Å; E166-F243 VanDerWaalsContact O-CZ 3.24Å; E166-F243 WeakPolarHBondContact O-CZ 3.28Å
167D96.1Very high94.2Very high7 Ų746.4 Ų46.44%0.03721%0.209CC..Hα-helixtrans-81.5-46.1176.2-60.5-8.5000110.1G134 Y162 R164 A165 M169 R170 S171G134-D167 WeakPolarHBondContact CA-OD2 3.31Å; Y162-D167 HydrophobicContact CD1-CB 3.72Å; Y162-D167 HydrophobicContact CE1-CB 4.34Å; Y162-D167 HydrophobicContact CG-CB 4Å; R164-D167 HydrophobicContact CB-CB 4.34Å; A165-D167 PolarHBondContact O-N 3.01Å; D167-M169 VanDerWaalsContact C-N 3.34Å; D167-M169 PolarHBondContact O-N 3.25Å; D167-R170 PolarHBondContact O-N 3.33Å; D167-R170 IonicContact OD1-CZ 3.48Å; D167-R170 IonicContact OD1-NE 2.68Å; D167-R170 IonicContact OD1-NH2 2.63Å; D167-R170 PolarHBondContact OD1-NH2 3.47Å; D167-S171 PolarHBondContact O-N 3.11Å
168A96.5Very high94Very high0 Ų048 Ų480%022%0.22CC..Hα-helixtrans-57.2-46.3171.700000111.7P105 I108 Y162 A165 R170 S171 I172P105-A168 WeakPolarHBondContact O-CB 3.08Å; I108-A168 HydrophobicContact CG2-CB 3.8Å; Y162-A168 HydrophobicContact CD2-CB 3.62Å; Y162-A168 HydrophobicContact CE2-CB 4.18Å; Y162-A168 HydrophobicContact CG-CB 4.35Å; A165-A168 WeakPolarHBondContact O-CA 3.4Å; A165-A168 WeakPolarHBondContact O-CB 3.12Å; A165-A168 PolarHBondContact O-N 3.01Å; A168-R170 VanDerWaalsContact C-N 3.34Å; A168-R170 PolarHBondContact O-N 2.68Å; A168-S171 PolarHBondContact O-N 3.22Å; A168-S171 PolarHBondContact O-OG 3.37Å; A168-I172 PolarHBondContact O-N 3.27Å
169M94.4Very high93.8Very high9 Ų953 Ų534%0.04425%0.251CS..Hα-helixtrans-65.9-32-179.5-65-62.1-7300113.2A165 D167 I172 R173 L189 L239 L240 F243A165-M169 WeakPolarHBondContact O-CB 3.18Å; A165-M169 WeakPolarHBondContact O-CG 3.34Å; A165-M169 PolarHBondContact O-N 2.95Å; D167-M169 VanDerWaalsContact C-N 3.34Å; D167-M169 PolarHBondContact O-N 3.25Å; M169-I172 HydrophobicContact SD-CD1 4.47Å; M169-R173 WeakPolarHBondContact O-CB 3.26Å; M169-R173 PolarHBondContact O-N 2.61Å; M169-L189 HydrophobicContact SD-CD1 4.46Å; M169-L189 HydrophobicContact SD-CD2 4.21Å; M169-L239 HydrophobicContact CE-CB 3.47Å; M169-L239 VanDerWaalsContact CE-CB 3.47Å; M169-L239 VanDerWaalsContact CE-O 3.24Å; M169-L239 WeakPolarHBondContact CE-O 3.45Å; M169-L239 HydrophobicContact SD-CB 4.41Å; M169-L240 HydrophobicContact CE-CB 4.22Å; M169-L240 HydrophobicContact CE-CD2 3.75Å; M169-L240 HydrophobicContact CE-CG 3.72Å; M169-L240 VanDerWaalsContact CE-N 3.28Å; M169-L240 HydrophobicContact SD-CD2 4.49Å; M169-F243 HydrophobicContact CB-CD1 3.48Å; M169-F243 VanDerWaalsContact CB-CD1 3.48Å; M169-F243 HydrophobicContact CB-CE1 3.6Å; M169-F243 HydrophobicContact CB-CG 4.08Å; M169-F243 HydrophobicContact CB-CZ 4.3Å; M169-F243 HydrophobicContact CE-CB 4.31Å
170R95.1Very high93.4Very high88 Ų8851 Ų5133%0.33224%0.244SC..Hα-helixtrans-65.9-48.1166.9-78.8-176.6-81.1177.8-0.3111.2Y133 E166 D167 A168 I172 R173 D174 F243Y133-R170 HydrophobicContact CD1-CB 3.79Å; Y133-R170 PolarHBondContact O-NH2 3.33Å; Y133-R170 VanDerWaalsContact O-NH2 3.17Å; E166-R170 WeakPolarHBondContact O-CG 3.43Å; E166-R170 PolarHBondContact O-N 3.1Å; E166-R170 PolarHBondContact O-NE 2.95Å; D167-R170 PolarHBondContact O-N 3.33Å; D167-R170 IonicContact OD1-CZ 3.48Å; D167-R170 IonicContact OD1-NE 2.68Å; D167-R170 IonicContact OD1-NH2 2.63Å; D167-R170 PolarHBondContact OD1-NH2 3.47Å; A168-R170 VanDerWaalsContact C-N 3.34Å; A168-R170 PolarHBondContact O-N 2.68Å; R170-I172 VanDerWaalsContact C-N 3.31Å; R170-I172 PolarHBondContact O-N 3.01Å; R170-R173 PolarHBondContact O-N 3.02Å; R170-D174 PolarHBondContact O-N 2.77Å; R170-F243 HydrophobicContact CG-CE1 3.82Å; R170-F243 HydrophobicContact CG-CZ 3.97Å
171S95.2Very high92.9Very high0 Ų056.3 Ų56.30%027%0.269CS..Hα-helixtrans-62.8-34.9-177.975.40000113.4Y162 D167 A168 L175Y162-S171 WeakPolarHBondContact CE2-OG 3.32Å; Y162-S171 WeakPolarHBondContact OH-CB 3.48Å; Y162-S171 PolarHBondContact OH-OG 2.76Å; D167-S171 PolarHBondContact O-N 3.11Å; A168-S171 PolarHBondContact O-N 3.22Å; A168-S171 PolarHBondContact O-OG 3.37Å; S171-L175 WeakPolarHBondContact O-CB 3.2Å; S171-L175 WeakPolarHBondContact O-CG 3.36Å; S171-L175 PolarHBondContact O-N 3.38Å
172I95.2Very high92.3Very high1 Ų158.4 Ų58.41%0.00530%0.296CS..Hα-helixtrans-67.3-48.6173.6-68.2159.4000110.8I108 A168 M169 R170 D174 N176 V187 L189 M236 L240I108-I172 HydrophobicContact CG2-CD1 3.88Å; I108-I172 HydrophobicContact CG2-CG1 3.84Å; A168-I172 PolarHBondContact O-N 3.27Å; M169-I172 HydrophobicContact SD-CD1 4.47Å; R170-I172 VanDerWaalsContact C-N 3.31Å; R170-I172 PolarHBondContact O-N 3.01Å; I172-D174 VanDerWaalsContact C-N 3.25Å; I172-D174 PolarHBondContact O-N 2.94Å; I172-N176 HydrophobicContact CG2-CB 4.49Å; I172-N176 WeakPolarHBondContact O-CB 3.33Å; I172-N176 PolarHBondContact O-N 2.99Å; I172-V187 HydrophobicContact CG1-CG1 3.89Å; I172-L189 HydrophobicContact CD1-CD2 3.53Å; I172-L189 HydrophobicContact CD1-CG 3.68Å; I172-M236 HydrophobicContact CG2-SD 4.28Å; I172-L240 HydrophobicContact CB-CD2 4.4Å; I172-L240 HydrophobicContact CG2-CD1 3.87Å; I172-L240 HydrophobicContact CG2-CD2 4.17Å
173R93.5Very high91.7Very high88 Ų8859.4 Ų59.433%0.33230%0.3SS..Hα-helixtrans-56.5-41.4-178.7-177.1-179.3-63.1173.63.4112.2M169 R170 L240 F243 C244M169-R173 WeakPolarHBondContact O-CB 3.26Å; M169-R173 PolarHBondContact O-N 2.61Å; R170-R173 PolarHBondContact O-N 3.02Å; R173-L240 HydrophobicContact CB-CD2 4.29Å; R173-L240 PolarHBondContact NH2-O 3.49Å; R173-F243 VanDerWaalsContact NH2-CD1 3.27Å; R173-F243 PolarHBondContact NH2-O 2.87Å; R173-C244 PolarHBondContact NH2-SG 3.48Å
174D92.4Very high91.4Very high92 Ų9256.7 Ų56.749%0.49230%0.298SS..Hα-helixtrans-95.6-21.7-168.9-604.6000113Y133 R170 I172Y133-D174 HydrophobicContact CE1-CB 3.8Å; Y133-D174 WeakPolarHBondContact CE1-OD2 3.31Å; Y133-D174 WeakPolarHBondContact OH-CB 3.36Å; R170-D174 PolarHBondContact O-N 2.77Å; I172-D174 VanDerWaalsContact C-N 3.25Å; I172-D174 PolarHBondContact O-N 2.94Å
175L92.5Very high91.2Very high21 Ų2150.4 Ų50.411%0.1127%0.274CS..Hα-helixtrans-107.9-18.4-179.2-60.8-179.9000115.1F130 Y133 S171 Q177 S178 I185 V187F130-L175 HydrophobicContact CD1-CD1 3.64Å; F130-L175 HydrophobicContact CE1-CD1 3.27Å; F130-L175 HydrophobicContact CZ-CD1 4.02Å; Y133-L175 HydrophobicContact CE2-CD1 3.73Å; Y133-L175 HydrophobicContact CE2-CD2 4.23Å; Y133-L175 HydrophobicContact CE2-CG 3.84Å; Y133-L175 WeakPolarHBondContact OH-CD2 3.26Å; Y133-L175 WeakPolarHBondContact OH-CG 3.44Å; S171-L175 WeakPolarHBondContact O-CB 3.2Å; S171-L175 WeakPolarHBondContact O-CG 3.36Å; S171-L175 PolarHBondContact O-N 3.38Å; L175-Q177 PolarHBondContact O-N 3.37Å; L175-S178 WeakPolarHBondContact CA-OG 3.38Å; L175-S178 VanDerWaalsContact O-CB 3.3Å; L175-S178 WeakPolarHBondContact O-CB 3.46Å; L175-S178 PolarHBondContact O-N 3.41Å; L175-S178 PolarHBondContact O-OG 2.88Å; L175-I185 HydrophobicContact CB-CD1 4.17Å; L175-V187 HydrophobicContact CB-CG2 3.75Å
176N90.4Very high91.1Very high56 Ų5656.4 Ų56.430%0.29929%0.291SS..THydrogen-bonded Turntrans-65.7124.7-178.3-173.429000110.5I172 S178 V187I172-N176 HydrophobicContact CG2-CB 4.49Å; I172-N176 WeakPolarHBondContact O-CB 3.33Å; I172-N176 PolarHBondContact O-N 2.99Å; N176-S178 PolarHBondContact O-N 3.19Å; N176-V187 PolarHBondContact OD1-N 2.68Å; N176-V187 PolarHBondContact OD1-O 3.47Å
177Q85.7Confident91.1Very high160 Ų16053.2 Ų53.275%0.74828%0.276SS*.THydrogen-bonded Turntrans69.36.4-172.5-43.9-179.628.200115.1L175 I185L175-Q177 PolarHBondContact O-N 3.37Å; Q177-I185 WeakPolarHBondContact CA-O 3.36Å; Q177-I185 PolarHBondContact N-O 2.95Å; Q177-I185 VanDerWaalsContact N-O 3.08Å
178S89Confident91Very high34 Ų3454.5 Ų54.524%0.23829%0.286CS..  trans-71.1162.8171.871.60000112.2L175 N176 I185L175-S178 WeakPolarHBondContact CA-OG 3.38Å; L175-S178 VanDerWaalsContact O-CB 3.3Å; L175-S178 WeakPolarHBondContact O-CB 3.46Å; L175-S178 PolarHBondContact O-N 3.41Å; L175-S178 PolarHBondContact O-OG 2.88Å; N176-S178 PolarHBondContact O-N 3.19Å; S178-I185 WeakPolarHBondContact O-CG1 3.3Å; S178-I185 PolarHBondContact O-N 2.97Å; S178-I185 WeakPolarHBondContact OG-CD1 3.42Å; S178-I185 WeakPolarHBondContact OG-CG1 3.44Å
179T88.7Confident91Very high105 Ų10554.9 Ų54.964%0.64429%0.288SS*.EExtended strand (participates in β ladder)trans-104124.9173.750.70000111.4R183T179-R183 CarbonylContact C-O 3.6Å; T179-R183 WeakPolarHBondContact CA-O 3.45Å
180L86.5Confident91Very high27 Ų2754.6 Ų54.614%0.14129%0.287CS..EExtended strand (participates in β ladder)trans-110.5110.7177-175.164.8000108.6L113 I117 Y129 G182 R183 I185L113-L180 HydrophobicContact CD2-CD2 3.92Å; I117-L180 HydrophobicContact CD1-CD2 4.4Å; Y129-L180 HydrophobicContact CD1-CD1 4.18Å; Y129-L180 HydrophobicContact CE1-CD1 4.19Å; L180-G182 VanDerWaalsContact C-N 3.34Å; L180-G182 PolarHBondContact O-N 3.23Å; L180-R183 PolarHBondContact N-O 3.42Å; L180-R183 WeakPolarHBondContact O-CB 3.37Å; L180-R183 PolarHBondContact O-N 3.49Å; L180-R183 VanDerWaalsContact O-N 3.09Å; L180-I185 HydrophobicContact CB-CD1 4.15Å; L180-I185 HydrophobicContact CB-CG1 4.29Å; L180-I185 HydrophobicContact CB-CG2 3.75Å; L180-I185 HydrophobicContact CD2-CD1 4.43Å; L180-I185 HydrophobicContact CD2-CG2 4.24Å
181H85.1Confident90.9Very high112 Ų11252 Ų5252%0.51928%0.281SS..THydrogen-bonded Turntrans51.248.5-174.1-54.8-73.1000113.2W116 Y129 R183W116-H181 AromaticContact CH2-CD2 3.98Å; W116-H181 AromaticContact CH2-CE1 3.87Å; W116-H181 AromaticContact CH2-NE2 3.47Å; W116-H181 WeakPolarHBondContact CH2-NE2 3.4Å; W116-H181 AromaticContact CZ2-CD2 3.44Å; W116-H181 VanDerWaalsContact CZ2-CD2 3.44Å; W116-H181 WeakPolarHBondContact CZ2-CD2 3.31Å; W116-H181 AromaticContact CZ2-CE1 3.76Å; W116-H181 AromaticContact CZ2-CG 3.84Å; W116-H181 AromaticContact CZ2-NE2 3.42Å; W116-H181 WeakPolarHBondContact CZ2-NE2 3.46Å; Y129-H181 AromaticContact CE1-NE2 3.74Å; H181-R183 PolarHBondContact O-N 2.85Å
182G83Confident90.8Very high72 Ų7252.8 Ų52.874%0.74229%0.286SS*.THydrogen-bonded Turntrans76.8-5.2-179.300000115.1L180L180-G182 VanDerWaalsContact C-N 3.34Å; L180-G182 PolarHBondContact O-N 3.23Å
183R84.7Confident90.7Very high23 Ų2355.9 Ų55.99%0.08730%0.299CS..EExtended strand (participates in β ladder)trans-102.9128.2-179.1-168.1167-171.2148.31.9111.2G112 G149 Q153 P154 S155 T179 L180 H181 I185G112-R183 VanDerWaalsContact O-CD 3.31Å; G112-R183 WeakPolarHBondContact O-CD 3.46Å; G149-R183 VanDerWaalsContact CA-NH2 3.27Å; G149-R183 VanDerWaalsContact N-NH2 3.13Å; Q153-R183 PolarHBondContact O-NH1 3.27Å; Q153-R183 PolarHBondContact O-NH2 2.94Å; P154-R183 PolarHBondContact O-NH1 2.71Å; P154-R183 PolarHBondContact O-NH2 2.87Å; S155-R183 PolarHBondContact OG-NE 3.24Å; S155-R183 PolarHBondContact OG-NH2 3.37Å; T179-R183 CarbonylContact C-O 3.6Å; T179-R183 WeakPolarHBondContact CA-O 3.45Å; L180-R183 PolarHBondContact N-O 3.42Å; L180-R183 WeakPolarHBondContact O-CB 3.37Å; L180-R183 PolarHBondContact O-N 3.49Å; L180-R183 VanDerWaalsContact O-N 3.09Å; H181-R183 PolarHBondContact O-N 2.85Å; R183-I185 PolarHBondContact O-N 3.39Å
184P89.9Confident90.7Very high68 Ų6852.3 Ų52.344%0.44229%0.286SS..EExtended strand (participates in β ladder)trans-66.3128.917627.1-33.7000110.5
185I91.9Very high90.8Very high2 Ų248.1 Ų48.11%0.0126%0.264CS..  trans-107.4143.917359.6164.1000110.9V111 L175 Q177 S178 L180 R183 V187V111-I185 WeakPolarHBondContact O-CA 3.24Å; L175-I185 HydrophobicContact CB-CD1 4.17Å; Q177-I185 WeakPolarHBondContact CA-O 3.36Å; Q177-I185 PolarHBondContact N-O 2.95Å; Q177-I185 VanDerWaalsContact N-O 3.08Å; S178-I185 WeakPolarHBondContact O-CG1 3.3Å; S178-I185 PolarHBondContact O-N 2.97Å; S178-I185 WeakPolarHBondContact OG-CD1 3.42Å; S178-I185 WeakPolarHBondContact OG-CG1 3.44Å; L180-I185 HydrophobicContact CB-CD1 4.15Å; L180-I185 HydrophobicContact CB-CG1 4.29Å; L180-I185 HydrophobicContact CB-CG2 3.75Å; L180-I185 HydrophobicContact CD2-CD1 4.43Å; L180-I185 HydrophobicContact CD2-CG2 4.24Å; R183-I185 PolarHBondContact O-N 3.39Å; I185-V187 HydrophobicContact CD1-CG2 4.28Å
186R92.7Very high90.8Very high151 Ų15150.3 Ų50.357%0.5728%0.281SS*.EExtended strand (participates in β ladder)trans-113.9133.2171.8-66.1-171.1-68.1170-3108.5V110 V111V110-R186 WeakPolarHBondContact CA-O 3.34Å; V111-R186 PolarHBondContact N-O 3.12Å; V111-R186 PolarHBondContact O-N 3Å
187V94.8Very high90.9Very high1 Ų149.8 Ų49.81%0.00628%0.277CS..EExtended strand (participates in β ladder)trans-129.1119.7-179.1-171.10000108I108 F109 V110 I172 L175 N176 I185I108-V187 HydrophobicContact CB-CG1 4.06Å; I108-V187 HydrophobicContact CD1-CG1 3.86Å; I108-V187 HydrophobicContact CG1-CG1 4.48Å; I108-V187 HydrophobicContact CG2-CG1 4.47Å; F109-V187 WeakPolarHBondContact O-CA 3.33Å; V110-V187 HydrophobicContact CG1-CG2 4.32Å; V110-V187 HydrophobicContact CG2-CG1 4.3Å; V110-V187 HydrophobicContact CG2-CG2 4.37Å; I172-V187 HydrophobicContact CG1-CG1 3.89Å; L175-V187 HydrophobicContact CB-CG2 3.75Å; N176-V187 PolarHBondContact OD1-N 2.68Å; N176-V187 PolarHBondContact OD1-O 3.47Å; I185-V187 HydrophobicContact CD1-CG2 4.28Å
188S94.8Very high91.1Very high34 Ų3443.4 Ų43.424%0.23825%0.246CC..EExtended strand (participates in β ladder)trans-123.4170.4175.971.20000110.5I108 F109I108-S188 CarbonylContact C-O 3.32Å; I108-S188 VanDerWaalsContact CA-O 3.28Å; I108-S188 WeakPolarHBondContact CA-O 3.34Å; F109-S188 PolarHBondContact N-O 3.45Å; F109-S188 PolarHBondContact O-N 3.34Å
189L95.4Very high91.1Very high9 Ų944.7 Ų44.75%0.04725%0.25CS..EExtended strand (participates in β ladder)trans-61.9145.4159.3-71.5173.1000110V103 L107 M169 I172 M236 L239V103-L189 HydrophobicContact CG1-CB 3.71Å; V103-L189 HydrophobicContact CG1-CD1 3.71Å; V103-L189 HydrophobicContact CG1-CG 4.31Å; L107-L189 CarbonylContact O-C 3.59Å; L107-L189 WeakPolarHBondContact O-CA 3.4Å; M169-L189 HydrophobicContact SD-CD1 4.46Å; M169-L189 HydrophobicContact SD-CD2 4.21Å; I172-L189 HydrophobicContact CD1-CD2 3.53Å; I172-L189 HydrophobicContact CD1-CG 3.68Å; L189-M236 HydrophobicContact CB-CG 4.41Å; L189-M236 HydrophobicContact CB-SD 4.43Å; L189-M236 HydrophobicContact CD1-CB 4Å; L189-M236 HydrophobicContact CD1-CG 3.89Å; L189-M236 HydrophobicContact CG-CB 4.45Å; L189-M236 HydrophobicContact CG-CG 3.93Å; L189-M236 HydrophobicContact CG-SD 4.38Å; L189-M236 PolarHBondContact N-SD 3.44Å; L189-M236 VanDerWaalsContact N-SD 3.36Å; L189-L239 HydrophobicContact CD1-CD1 3.81Å
190G93.7Very high91.1Very high2 Ų246.9 Ų46.92%0.02125%0.247CC..EExtended strand (participates in β ladder)trans-89.1150.5175.600000112Q104 L107Q104-G190 PolarHBondContact N-O 3.42Å; L107-G190 PolarHBondContact O-N 3.21Å
191T93.2Very high91.1Very high34 Ų3448.2 Ų48.221%0.20927%0.267CS..EExtended strand (participates in β ladder)trans-108.4146.7170.345.60000111.4R101 V102 V103 M227R101-T191 HydrophobicContact CB-CG2 4.46Å; V102-T191 CarbonylContact O-C 3.55Å; V102-T191 VanDerWaalsContact O-CA 3.3Å; V102-T191 WeakPolarHBondContact O-CA 3.5Å; V103-T191 HydrophobicContact CB-CG2 4.35Å; V103-T191 HydrophobicContact CG2-CG2 3.57Å; T191-M227 HydrophobicContact CG2-CE 3.65Å; T191-M227 HydrophobicContact CG2-SD 3.85Å
192T93.3Very high91.3Very high17 Ų1746.1 Ų46.110%0.10426%0.262CS..EExtended strand (participates in β ladder)trans-123163.2169.9-165.70000111R101 V102 Q104 M210 L212R101-T192 WeakPolarHBondContact CA-O 3.48Å; V102-T192 HydrophobicContact CB-CG2 4.48Å; V102-T192 PolarHBondContact N-O 3.31Å; V102-T192 PolarHBondContact O-N 3.43Å; Q104-T192 HydrophobicContact CG-CG2 3.78Å; T192-M210 PolarHBondContact OG1-O 3.07Å; T192-L212 HydrophobicContact CG2-CB 4.3Å
193K93.4Very high91.7Very high65 Ų6551.8 Ų51.828%0.28327%0.266SS..EExtended strand (participates in β ladder)trans-100.1161.7168-78.2-157.6165-150.10110.2P98 E99 R101 Y211 L212P98-K193 PolarHBondContact O-NZ 3.39Å; E99-K193 IonicContact OE2-NZ 3.77Å; E99-K193 PolarHBondContact OE2-NZ 3.4Å; R101-K193 HydrophobicContact CG-CG 4.37Å; K193-Y211 HydrophobicContact CB-CD1 4.09Å; K193-Y211 HydrophobicContact CB-CE1 4.3Å; K193-Y211 VanDerWaalsContact O-CA 3.31Å; K193-Y211 WeakPolarHBondContact O-CA 3.49Å; K193-Y211 VanDerWaalsContact O-CB 3.28Å; K193-Y211 WeakPolarHBondContact O-CB 3.45Å; K193-L212 PolarHBondContact O-N 3.17Å
194Y93.9Very high92.2Very high13 Ų1352.5 Ų52.55%0.05127%0.274CS..BIsolated β-bridgetrans-67.6145.1167.2-66.5-80.7000111.2L97 L100 V102 F198 L199 L212 E214 G216L97-Y194 HydrophobicContact CD2-CD2 4.36Å; L97-Y194 HydrophobicContact CD2-CE1 4.49Å; L97-Y194 HydrophobicContact CD2-CE2 3.86Å; L97-Y194 WeakPolarHBondContact O-CD2 3.46Å; L100-Y194 HydrophobicContact CB-CE2 4.02Å; V102-Y194 HydrophobicContact CG2-CD2 4.35Å; V102-Y194 HydrophobicContact CG2-CE1 4.23Å; V102-Y194 HydrophobicContact CG2-CE2 3.55Å; V102-Y194 VanDerWaalsContact CG2-CZ 3.49Å; V102-Y194 WeakPolarHBondContact CG2-OH 3.43Å; Y194-F198 HydrophobicContact CD1-CD1 4.07Å; Y194-F198 AromaticContact CD1-CE1 3.69Å; Y194-F198 HydrophobicContact CD1-CE1 3.69Å; Y194-F198 HydrophobicContact CE1-CE1 4.29Å; Y194-L199 HydrophobicContact CG-CD2 4.33Å; Y194-L212 HydrophobicContact CD1-CB 4.19Å; Y194-L212 HydrophobicContact CD1-CD2 4.35Å; Y194-L212 HydrophobicContact CE1-CD2 3.91Å; Y194-E214 VanDerWaalsContact CE1-O 3.26Å; Y194-E214 WeakPolarHBondContact CE1-O 3.31Å; Y194-G216 PolarHBondContact OH-N 3.37Å
195C93.9Very high92.4Very high4 Ų454.5 Ų54.53%0.02729%0.286CS..PPolyproline II helixtrans-70.9135.2179.4-176.70000111.2Q197 F198 L199 C204 C209 L212 H213C195-Q197 PolarHBondContact O-N 3.09Å; C195-F198 HydrophobicContact CB-CB 3.93Å; C195-F198 WeakPolarHBondContact O-CB 3.4Å; C195-F198 PolarHBondContact O-N 3.24Å; C195-L199 WeakPolarHBondContact O-CG 3.26Å; C195-L199 PolarHBondContact O-N 3.03Å; C195-C204 VanDerWaalsContact SG-SG 3.62Å; C195-C209 VanDerWaalsContact SG-SG 3.67Å; C195-L212 PolarHBondContact N-O 2.86Å; C195-H213 VanDerWaalsContact CB-CD2 3.4Å; C195-H213 WeakPolarHBondContact CB-CD2 2.83Å
196S91.8Very high92.3Very high67 Ų6760 Ų6047%0.46931%0.309SS..Hα-helixtrans-56.8-33.2177.655.90000113.8R200S196-R200 VanDerWaalsContact O-CD 3.28Å; S196-R200 WeakPolarHBondContact O-CD 3.46Å; S196-R200 WeakPolarHBondContact O-CG 3.44Å; S196-R200 PolarHBondContact O-N 3.41Å; S196-R200 VanDerWaalsContact O-N 3.15Å
197Q92.9Very high92Very high46 Ų4661.3 Ų61.322%0.21532%0.322CS..Hα-helixtrans-73.4-40.9175.5-61-67.273.900111.8C195 L199 R200 G201 T202 C204C195-Q197 PolarHBondContact O-N 3.09Å; Q197-L199 PolarHBondContact O-N 2.9Å; Q197-R200 WeakPolarHBondContact O-CB 3.42Å; Q197-R200 PolarHBondContact O-N 3.03Å; Q197-R200 VanDerWaalsContact O-N 3.14Å; Q197-G201 PolarHBondContact O-N 2.86Å; Q197-G201 VanDerWaalsContact O-N 3.16Å; Q197-T202 CarbonylContact C-O 3.52Å; Q197-T202 WeakPolarHBondContact CB-OG1 3.17Å; Q197-T202 PolarHBondContact O-N 2.82Å; Q197-T202 VanDerWaalsContact O-O 3.14Å; Q197-T202 PolarHBondContact O-OG1 2.92Å; Q197-T202 VanDerWaalsContact O-OG1 3.11Å; Q197-C204 HydrophobicContact CB-CB 4.31Å
198F90.6Very high91.5Very high25 Ų2567.7 Ų67.711%0.1135%0.351CS..Hα-helixtrans-58.7-47.4172168.6-105.9000111.5Y83 Y194 C195 R200 G201 H213 L215Y83-F198 WeakPolarHBondContact OH-CE2 3.41Å; Y194-F198 HydrophobicContact CD1-CD1 4.07Å; Y194-F198 AromaticContact CD1-CE1 3.69Å; Y194-F198 HydrophobicContact CD1-CE1 3.69Å; Y194-F198 HydrophobicContact CE1-CE1 4.29Å; C195-F198 HydrophobicContact CB-CB 3.93Å; C195-F198 WeakPolarHBondContact O-CB 3.4Å; C195-F198 PolarHBondContact O-N 3.24Å; F198-R200 PolarHBondContact O-N 3.28Å; F198-G201 PolarHBondContact O-N 2.89Å; F198-H213 VanDerWaalsContact CD2-C 3.44Å; F198-H213 WeakPolarHBondContact CD2-O 3.24Å; F198-H213 VanDerWaalsContact CE2-C 3.46Å; F198-H213 WeakPolarHBondContact CE2-O 3.25Å; F198-L215 HydrophobicContact CE1-CD2 4.16Å; F198-L215 HydrophobicContact CZ-CD2 3.85Å; F198-L215 HydrophobicContact CZ-CG 4.08Å
199L89.3Confident91.2Very high61 Ų6167.3 Ų67.332%0.31935%0.349SS..Hα-helixtrans-60.5-29.3175.8-65.9173.5000113.3L97 P98 Y194 C195 Q197 G201L97-L199 HydrophobicContact CB-CD2 3.6Å; L97-L199 HydrophobicContact CD1-CD2 3.98Å; L97-L199 HydrophobicContact CG-CD2 4.43Å; P98-L199 HydrophobicContact CB-CD1 4.22Å; P98-L199 HydrophobicContact CG-CD1 4.26Å; Y194-L199 HydrophobicContact CG-CD2 4.33Å; C195-L199 WeakPolarHBondContact O-CG 3.26Å; C195-L199 PolarHBondContact O-N 3.03Å; Q197-L199 PolarHBondContact O-N 2.9Å; L199-G201 VanDerWaalsContact C-N 3.33Å
200R88.8Confident90.9Very high151 Ų15171.2 Ų71.257%0.5737%0.368SS*.Hα-helixtrans-77.3-17.7174-73.1162.4175.8176.2-6113.3R80 S196 Q197 F198 T202R80-R200 PolarHBondContact NH2-O 3.35Å; R80-R200 VanDerWaalsContact NH2-O 3.15Å; S196-R200 VanDerWaalsContact O-CD 3.28Å; S196-R200 WeakPolarHBondContact O-CD 3.46Å; S196-R200 WeakPolarHBondContact O-CG 3.44Å; S196-R200 PolarHBondContact O-N 3.41Å; S196-R200 VanDerWaalsContact O-N 3.15Å; Q197-R200 WeakPolarHBondContact O-CB 3.42Å; Q197-R200 PolarHBondContact O-N 3.03Å; Q197-R200 VanDerWaalsContact O-N 3.14Å; F198-R200 PolarHBondContact O-N 3.28Å; R200-T202 HydrophobicContact CB-CG2 4.44Å
201G86.3Confident90.8Very high55 Ų5576.5 Ų76.557%0.56739%0.388SS*.THydrogen-bonded Turntrans84.623.2-171.400000113.7Q197 F198 L199Q197-G201 PolarHBondContact O-N 2.86Å; Q197-G201 VanDerWaalsContact O-N 3.16Å; F198-G201 PolarHBondContact O-N 2.89Å; L199-G201 VanDerWaalsContact C-N 3.33Å
202T89.6Confident90.7Very high68 Ų6876.4 Ų76.442%0.41739%0.386SS..  trans-111.5148.6-179.460.20000111.7Q197 R200 C204Q197-T202 CarbonylContact C-O 3.52Å; Q197-T202 WeakPolarHBondContact CB-OG1 3.17Å; Q197-T202 PolarHBondContact O-N 2.82Å; Q197-T202 VanDerWaalsContact O-O 3.14Å; Q197-T202 PolarHBondContact O-OG1 2.92Å; Q197-T202 VanDerWaalsContact O-OG1 3.11Å; R200-T202 HydrophobicContact CB-CG2 4.44Å; T202-C204 PolarHBondContact O-N 2.8Å
203K90.7Very high90.6Very high191 Ų19179.5 Ų79.583%0.8340%0.399SS*.  trans-63.8132.2172.867174.7-175.7172.30109.5
204C94.9Very high90.3Very high38 Ų3883.3 Ų83.326%0.25742%0.418SS..  trans-70.6137.4179.2-169.90000110.9C195 Q197 T202 K206 H213C195-C204 VanDerWaalsContact SG-SG 3.62Å; Q197-C204 HydrophobicContact CB-CB 4.31Å; T202-C204 PolarHBondContact O-N 2.8Å; C204-K206 PolarHBondContact SG-N 3.46Å; C204-H213 VanDerWaalsContact CB-CE1 3.43Å; C204-H213 WeakPolarHBondContact CB-CE1 3.08Å; C204-H213 WeakPolarHBondContact CB-NE2 3.43Å; C204-H213 PolarHBondContact SG-NE2 3.38Å; C204-H213 VanDerWaalsContact SG-NE2 3.38Å
205T94.9Very high90Very high111 Ų11186 Ų8668%0.68143%0.432SS*.  trans-95.5-7.7176.948.40000113.1H207T205-H207 PolarHBondContact O-N 3.21Å
206K90.3Very high89.6Confident116 Ų11686.7 Ų86.750%0.50444%0.44SS..  trans-80.4108.2177.6-178.4170.4177172.80110.1C204 E208 C209C204-K206 PolarHBondContact SG-N 3.46Å; K206-E208 PolarHBondContact O-N 3.15Å; K206-C209 HydrophobicContact CB-CB 4.25Å; K206-C209 HydrophobicContact CD-CB 4.48Å; K206-C209 HydrophobicContact CG-CB 4.3Å; K206-C209 PolarHBondContact O-N 2.98Å
207H84.7Confident89.4Confident180 Ų18089.2 Ų89.283%0.83345%0.449SS*.THydrogen-bonded Turntrans-54131.9163.8-64.6-96.7000109.2T205 C209T205-H207 PolarHBondContact O-N 3.21Å; H207-C209 PolarHBondContact O-N 3.06Å
208E84.4Confident89.1Confident134 Ų13492 Ų9263%0.62647%0.473SS*.THydrogen-bonded Turntrans45.553.8-171.7-60-171.4-170.700114.9K138 K206 M210K138-E208 IonicContact NZ-OE2 3.98Å; K138-E208 PolarHBondContact NZ-OE2 2.99Å; K206-E208 PolarHBondContact O-N 3.15Å; E208-M210 PolarHBondContact O-N 3.47Å
209C90Very high89.1Confident27 Ų2794.2 Ų94.218%0.18250%0.496CS..  trans-53.7128170.4-166.90000111.7C195 K206 H207 Y211 H213C195-C209 VanDerWaalsContact SG-SG 3.67Å; K206-C209 HydrophobicContact CB-CB 4.25Å; K206-C209 HydrophobicContact CD-CB 4.48Å; K206-C209 HydrophobicContact CG-CB 4.3Å; K206-C209 PolarHBondContact O-N 2.98Å; H207-C209 PolarHBondContact O-N 3.06Å; C209-Y211 PolarHBondContact O-N 3.49Å; C209-H213 WeakPolarHBondContact CB-CE1 3.27Å; C209-H213 WeakPolarHBondContact CB-NE2 3.48Å; C209-H213 PolarHBondContact SG-NE2 3.2Å; C209-H213 VanDerWaalsContact SG-NE2 3.37Å
210M87.5Confident89.2Confident90 Ų9091.5 Ų91.544%0.44348%0.482SS..SBendtrans-72.4-13.5174.1-79.2178.264.800113.8E140 T192 E208E140-M210 HydrophobicContact CG-SD 4.26Å; T192-M210 PolarHBondContact OG1-O 3.07Å; E208-M210 PolarHBondContact O-N 3.47Å
211Y91.7Very high89.4Confident113 Ų11385 Ų8544%0.44346%0.46SS..SBendtrans-103.6147.3-171.6-59-54000111.2K193 C209K193-Y211 HydrophobicContact CB-CD1 4.09Å; K193-Y211 HydrophobicContact CB-CE1 4.3Å; K193-Y211 VanDerWaalsContact O-CA 3.31Å; K193-Y211 WeakPolarHBondContact O-CA 3.49Å; K193-Y211 VanDerWaalsContact O-CB 3.28Å; K193-Y211 WeakPolarHBondContact O-CB 3.45Å; C209-Y211 PolarHBondContact O-N 3.49Å
212L91Very high89.7Confident33 Ų3383.2 Ų83.217%0.17344%0.437CS..BIsolated β-bridgetrans-66.9136.5-171.7-158.663.2000111.5V102 T192 K193 Y194 C195 E214V102-L212 HydrophobicContact CG1-CD2 4.37Å; V102-L212 HydrophobicContact CG2-CD2 4.32Å; T192-L212 HydrophobicContact CG2-CB 4.3Å; K193-L212 PolarHBondContact O-N 3.17Å; Y194-L212 HydrophobicContact CD1-CB 4.19Å; Y194-L212 HydrophobicContact CD1-CD2 4.35Å; Y194-L212 HydrophobicContact CE1-CD2 3.91Å; C195-L212 PolarHBondContact N-O 2.86Å; L212-E214 WeakPolarHBondContact CD2-O 3.33Å; L212-E214 WeakPolarHBondContact CG-O 3.21Å
213H91.3Very high89.8Confident82 Ų8281.5 Ų81.538%0.3843%0.427SS..SBendtrans-10810.6176.7-65.3158.4000112.9C195 F198 C204 C209C195-H213 VanDerWaalsContact CB-CD2 3.4Å; C195-H213 WeakPolarHBondContact CB-CD2 2.83Å; F198-H213 VanDerWaalsContact CD2-C 3.44Å; F198-H213 WeakPolarHBondContact CD2-O 3.24Å; F198-H213 VanDerWaalsContact CE2-C 3.46Å; F198-H213 WeakPolarHBondContact CE2-O 3.25Å; C204-H213 VanDerWaalsContact CB-CE1 3.43Å; C204-H213 WeakPolarHBondContact CB-CE1 3.08Å; C204-H213 WeakPolarHBondContact CB-NE2 3.43Å; C204-H213 PolarHBondContact SG-NE2 3.38Å; C204-H213 VanDerWaalsContact SG-NE2 3.38Å; C209-H213 WeakPolarHBondContact CB-CE1 3.27Å; C209-H213 WeakPolarHBondContact CB-NE2 3.48Å; C209-H213 PolarHBondContact SG-NE2 3.2Å; C209-H213 VanDerWaalsContact SG-NE2 3.37Å
214E88.5Confident89.8Confident144 Ų14477 Ų7767%0.67341%0.407SS*.SBendtrans-136.3171.4-177.3-63-177.5175.400107.7Y194 L212Y194-E214 VanDerWaalsContact CE1-O 3.26Å; Y194-E214 WeakPolarHBondContact CE1-O 3.31Å; L212-E214 WeakPolarHBondContact CD2-O 3.33Å; L212-E214 WeakPolarHBondContact CG-O 3.21Å
215L87.6Confident89.6Confident69 Ų6980.1 Ų80.136%0.36142%0.418SS..PPolyproline II helixtrans-87.8122.7178.4-62.8165.6000108.7T87 L89 L97 F198T87-L215 HydrophobicContact CG2-CD1 3.71Å; L89-L215 HydrophobicContact CD1-CD1 3.76Å; L89-L215 HydrophobicContact CD1-CD2 3.75Å; L89-L215 HydrophobicContact CD1-CG 4.42Å; L89-L215 HydrophobicContact CD2-CD1 3.86Å; L89-L215 HydrophobicContact CG-CD1 4.21Å; L97-L215 HydrophobicContact CD1-CD2 4.27Å; L97-L215 HydrophobicContact CD2-CD2 4.48Å; F198-L215 HydrophobicContact CE1-CD2 4.16Å; F198-L215 HydrophobicContact CZ-CD2 3.85Å; F198-L215 HydrophobicContact CZ-CG 4.08Å
216G85.9Confident89.5Confident19 Ų1977.3 Ų77.320%0.19640%0.397CS..PPolyproline II helixtrans-74.4156.1177.200000111.7Y194 S218Y194-G216 PolarHBondContact OH-N 3.37Å; G216-S218 PolarHBondContact O-N 2.63Å
217D87.1Confident89.5Confident121 Ų12173.1 Ų73.165%0.64738%0.379SS*.PPolyproline II helixtrans-58.8137.3175.5-70.5-49.9000111.1A219 A220 S221D217-A219 PolarHBondContact O-N 3.3Å; D217-A220 HydrophobicContact CB-CB 4.16Å; D217-A220 CarbonylContact O-C 3.57Å; D217-A220 PolarHBondContact O-N 3.25Å; D217-S221 WeakPolarHBondContact O-CB 3.41Å; D217-S221 PolarHBondContact O-N 3.48Å; D217-S221 PolarHBondContact O-OG 2.68Å
218S85.7Confident89.9Confident104 Ų10471.4 Ų71.473%0.72737%0.372SS*.THydrogen-bonded Turntrans-62.9-25.9178-169.40000112.6G216 A220G216-S218 PolarHBondContact O-N 2.63Å; S218-A220 VanDerWaalsContact C-N 3.32Å
219A90Very high90.3Very high71 Ų7168.6 Ų68.659%0.58737%0.371SS*.THydrogen-bonded Turntrans-78.6-15.4175.600000113.5D217 F222 Y235D217-A219 PolarHBondContact O-N 3.3Å; A219-F222 WeakPolarHBondContact O-CZ 3.49Å; A219-Y235 HydrophobicContact CB-CE2 4.47Å; A219-Y235 VanDerWaalsContact O-CD2 3.27Å; A219-Y235 WeakPolarHBondContact O-CD2 3.47Å; A219-Y235 VanDerWaalsContact O-CE2 3.24Å; A219-Y235 WeakPolarHBondContact O-CE2 3.28Å
220A92Very high90.4Very high4 Ų468.3 Ų68.33%0.03337%0.373CS..THydrogen-bonded Turntrans-106.3-1.5176.600000112.7V102 V103 D217 S218 F222 Y235V102-A220 CarbonylContact C-O 3.47Å; V102-A220 WeakPolarHBondContact CA-O 3.34Å; V102-A220 HydrophobicContact CG1-CB 4.46Å; V103-A220 PolarHBondContact N-O 2.88Å; D217-A220 HydrophobicContact CB-CB 4.16Å; D217-A220 CarbonylContact O-C 3.57Å; D217-A220 PolarHBondContact O-N 3.25Å; S218-A220 VanDerWaalsContact C-N 3.32Å; A220-F222 VanDerWaalsContact C-CE2 3.46Å; A220-F222 WeakPolarHBondContact O-CD2 3.33Å; A220-F222 WeakPolarHBondContact O-CE2 3.37Å; A220-Y235 HydrophobicContact CB-CE1 3.95Å
221S92.5Very high90.7Very high15 Ų1568.2 Ų68.211%0.10537%0.37CS..EExtended strand (participates in β ladder)trans-104121.7-176.4-61.80000110D217D217-S221 WeakPolarHBondContact O-CB 3.41Å; D217-S221 PolarHBondContact O-N 3.48Å; D217-S221 PolarHBondContact O-OG 2.68Å
222F92.8Very high90.8Very high17 Ų1765 Ų658%0.07536%0.359CS..EExtended strand (participates in β ladder)trans-126.2146.2-176.1-56.6-82.4000110.5R101 V103 A219 A220 E226 M227 K231 H232 Y235R101-F222 PolarHBondContact N-O 2.73Å; R101-F222 PolarHBondContact O-N 2.89Å; V103-F222 HydrophobicContact CB-CE2 4.32Å; V103-F222 HydrophobicContact CG2-CD2 3.79Å; V103-F222 HydrophobicContact CG2-CE2 3.57Å; A219-F222 WeakPolarHBondContact O-CZ 3.49Å; A220-F222 VanDerWaalsContact C-CE2 3.46Å; A220-F222 WeakPolarHBondContact O-CD2 3.33Å; A220-F222 WeakPolarHBondContact O-CE2 3.37Å; F222-E226 WeakPolarHBondContact CA-OE2 3.45Å; F222-E226 HydrophobicContact CB-CB 4.09Å; F222-E226 HydrophobicContact CD1-CB 4.39Å; F222-M227 HydrophobicContact CB-CG 3.91Å; F222-K231 HydrophobicContact CD1-CB 3.94Å; F222-K231 HydrophobicContact CE1-CB 3.94Å; F222-H232 HydrophobicContact CD2-CB 4.11Å; F222-H232 HydrophobicContact CE2-CB 4.27Å; F222-H232 HydrophobicContact CG-CB 4.42Å; F222-Y235 HydrophobicContact CE2-CD1 4.13Å; F222-Y235 HydrophobicContact CE2-CG 4.27Å; F222-Y235 HydrophobicContact CZ-CD1 4.14Å; F222-Y235 HydrophobicContact CZ-CD2 4.38Å; F222-Y235 AromaticContact CZ-CG 3.81Å; F222-Y235 HydrophobicContact CZ-CG 3.81Å
223T92.4Very high90.9Very high33 Ų3366.1 Ų66.120%0.20237%0.367CS..  trans-71.2169.716585.40000111.1L100 E225 E226 M227L100-T223 HydrophobicContact CD2-CG2 4.08Å; T223-E225 VanDerWaalsContact C-N 3.26Å; T223-E225 WeakPolarHBondContact CB-OE2 3.35Å; T223-E225 PolarHBondContact O-N 2.94Å; T223-E225 PolarHBondContact OG1-N 3.28Å; T223-E225 PolarHBondContact OG1-OE2 3.01Å; T223-E226 HydrophobicContact CG2-CG 4.45Å; T223-E226 PolarHBondContact N-OE2 3.36Å; T223-E226 PolarHBondContact O-N 2.81Å; T223-E226 PolarHBondContact OG1-N 3.08Å; T223-M227 WeakPolarHBondContact O-CG 3.43Å; T223-M227 PolarHBondContact O-N 2.9Å
224K89.8Confident91Very high97 Ų9768.3 Ų68.342%0.42238%0.378SS..Hα-helixtrans-59.3-39.4173.8171.2-171.1171.7-163.30111.7E99 M227 Q228E99-K224 WeakPolarHBondContact OE1-CB 3.48Å; K224-M227 PolarHBondContact O-N 2.83Å; K224-Q228 WeakPolarHBondContact O-CG 3.2Å; K224-Q228 PolarHBondContact O-N 2.82Å
225E91.4Very high91.3Very high102 Ų10263.7 Ų63.748%0.47735%0.354SS..Hα-helixtrans-69.5-42.2179.7-55.264.8-134.600110.3T223 M227 Q228 A229T223-E225 VanDerWaalsContact C-N 3.26Å; T223-E225 WeakPolarHBondContact CB-OE2 3.35Å; T223-E225 PolarHBondContact O-N 2.94Å; T223-E225 PolarHBondContact OG1-N 3.28Å; T223-E225 PolarHBondContact OG1-OE2 3.01Å; E225-M227 VanDerWaalsContact C-N 3.34Å; E225-M227 PolarHBondContact O-N 2.87Å; E225-Q228 PolarHBondContact O-N 3.16Å; E225-A229 WeakPolarHBondContact O-CB 3.42Å; E225-A229 PolarHBondContact O-N 2.73Å
226E93.1Very high91.6Very high53 Ų5360.9 Ų60.925%0.24834%0.34CS..Hα-helixtrans-66.7-33.8174.4-68.3-172119.700113.2F222 T223 G230 K231F222-E226 WeakPolarHBondContact CA-OE2 3.45Å; F222-E226 HydrophobicContact CB-CB 4.09Å; F222-E226 HydrophobicContact CD1-CB 4.39Å; T223-E226 HydrophobicContact CG2-CG 4.45Å; T223-E226 PolarHBondContact N-OE2 3.36Å; T223-E226 PolarHBondContact O-N 2.81Å; T223-E226 PolarHBondContact OG1-N 3.08Å; E226-G230 PolarHBondContact O-N 3.23Å; E226-K231 HydrophobicContact CB-CD 4.02Å; E226-K231 HydrophobicContact CB-CG 4.43Å; E226-K231 HydrophobicContact CG-CD 4.05Å; E226-K231 PolarHBondContact O-N 2.77Å; E226-K231 VanDerWaalsContact O-N 3.15Å; E226-K231 IonicContact OE1-NZ 2.67Å; E226-K231 PolarHBondContact OE1-NZ 3.25Å
227M90.7Very high91.9Very high27 Ų2764.1 Ų64.113%0.13335%0.352CS..Hα-helixtrans-65.6-44.5170.1-78.4-155.573.500111.6R101 T191 F222 T223 K224 E225 A229 G230 H232R101-M227 HydrophobicContact CB-SD 3.75Å; R101-M227 WeakPolarHBondContact CD-SD 3.22Å; R101-M227 HydrophobicContact CG-SD 4.17Å; T191-M227 HydrophobicContact CG2-CE 3.65Å; T191-M227 HydrophobicContact CG2-SD 3.85Å; F222-M227 HydrophobicContact CB-CG 3.91Å; T223-M227 WeakPolarHBondContact O-CG 3.43Å; T223-M227 PolarHBondContact O-N 2.9Å; K224-M227 PolarHBondContact O-N 2.83Å; E225-M227 VanDerWaalsContact C-N 3.34Å; E225-M227 PolarHBondContact O-N 2.87Å; M227-A229 VanDerWaalsContact C-N 3.32Å; M227-A229 PolarHBondContact O-N 2.85Å; M227-G230 PolarHBondContact O-N 3.39Å; M227-G230 VanDerWaalsContact O-N 3.07Å; M227-H232 HydrophobicContact CE-CB 4.18Å; M227-H232 HydrophobicContact CG-CB 4.28Å; M227-H232 PolarHBondContact O-CE1 2.93Å; M227-H232 PolarHBondContact O-ND1 3.09Å
228Q91.6Very high92.2Very high145 Ų14564.1 Ų64.168%0.67835%0.347SS*.Hα-helixtrans-63-37.4176.2-74.3171.7-38.800112.2K224 E225 G230K224-Q228 WeakPolarHBondContact O-CG 3.2Å; K224-Q228 PolarHBondContact O-N 2.82Å; E225-Q228 PolarHBondContact O-N 3.16Å; Q228-G230 PolarHBondContact O-N 3.12Å
229A93.8Very high92.5Very high74 Ų7461.1 Ų61.161%0.61232%0.322SS*.THydrogen-bonded Turntrans-71.4-0.3173.300000114.3E225 M227 K231E225-A229 WeakPolarHBondContact O-CB 3.42Å; E225-A229 PolarHBondContact O-N 2.73Å; M227-A229 VanDerWaalsContact C-N 3.32Å; M227-A229 PolarHBondContact O-N 2.85Å; A229-K231 PolarHBondContact O-N 3.27Å
230G92.6Very high92.6Very high21 Ų2158.9 Ų58.922%0.21630%0.3CS..THydrogen-bonded Turntrans84.6-0.6173.500000116.3E226 M227 Q228 H232 T233 E234E226-G230 PolarHBondContact O-N 3.23Å; M227-G230 PolarHBondContact O-N 3.39Å; M227-G230 VanDerWaalsContact O-N 3.07Å; Q228-G230 PolarHBondContact O-N 3.12Å; G230-H232 PolarHBondContact O-N 2.96Å; G230-H232 VanDerWaalsContact O-N 3.09Å; G230-T233 WeakPolarHBondContact O-CA 3.38Å; G230-T233 VanDerWaalsContact O-CB 3.25Å; G230-T233 WeakPolarHBondContact O-CB 3.48Å; G230-T233 PolarHBondContact O-N 3.26Å; G230-E234 PolarHBondContact O-N 3.11Å
231K93.6Very high92.7Very high88 Ų8864.1 Ų64.138%0.38332%0.324SS..Hα-helixtrans-54.7-34.4-177.7-60.7-165.1-170.3179.40113.6F222 E226 A229 T233 E234 Y235F222-K231 HydrophobicContact CD1-CB 3.94Å; F222-K231 HydrophobicContact CE1-CB 3.94Å; E226-K231 HydrophobicContact CB-CD 4.02Å; E226-K231 HydrophobicContact CB-CG 4.43Å; E226-K231 HydrophobicContact CG-CD 4.05Å; E226-K231 PolarHBondContact O-N 2.77Å; E226-K231 VanDerWaalsContact O-N 3.15Å; E226-K231 IonicContact OE1-NZ 2.67Å; E226-K231 PolarHBondContact OE1-NZ 3.25Å; A229-K231 PolarHBondContact O-N 3.27Å; K231-T233 VanDerWaalsContact C-N 3.28Å; K231-T233 PolarHBondContact O-N 2.75Å; K231-E234 WeakPolarHBondContact O-CB 3.31Å; K231-E234 PolarHBondContact O-N 3.4Å; K231-Y235 WeakPolarHBondContact O-CB 3.46Å; K231-Y235 PolarHBondContact O-N 3.45Å
232H92.5Very high92.6Very high47 Ų4766.7 Ų66.722%0.21834%0.336CS..Hα-helixtrans-64.4-31176.675.7-78.9000113.1V103 F222 M227 G230 M236V103-H232 HydrophobicContact CG2-CB 4.15Å; F222-H232 HydrophobicContact CD2-CB 4.11Å; F222-H232 HydrophobicContact CE2-CB 4.27Å; F222-H232 HydrophobicContact CG-CB 4.42Å; M227-H232 HydrophobicContact CE-CB 4.18Å; M227-H232 HydrophobicContact CG-CB 4.28Å; M227-H232 PolarHBondContact O-CE1 2.93Å; M227-H232 PolarHBondContact O-ND1 3.09Å; G230-H232 PolarHBondContact O-N 2.96Å; G230-H232 VanDerWaalsContact O-N 3.09Å; H232-M236 PolarHBondContact O-N 3.44Å; H232-M236 VanDerWaalsContact O-N 3.08Å
233T93.5Very high92.5Very high55 Ų5567 Ų6734%0.33734%0.338SS..Hα-helixtrans-74.1-40173.8-490000110.9G230 K231 Y235 M236 N237G230-T233 WeakPolarHBondContact O-CA 3.38Å; G230-T233 VanDerWaalsContact O-CB 3.25Å; G230-T233 WeakPolarHBondContact O-CB 3.48Å; G230-T233 PolarHBondContact O-N 3.26Å; K231-T233 VanDerWaalsContact C-N 3.28Å; K231-T233 PolarHBondContact O-N 2.75Å; T233-Y235 VanDerWaalsContact C-N 3.35Å; T233-M236 HydrophobicContact CG2-CE 4.16Å; T233-M236 PolarHBondContact O-N 3.45Å; T233-N237 WeakPolarHBondContact O-CB 3.42Å; T233-N237 PolarHBondContact O-N 3.11Å; T233-N237 PolarHBondContact O-ND2 2.67Å
234E93.7Very high92.3Very high129 Ų12968.3 Ų68.360%0.60335%0.348SS*.Hα-helixtrans-61.4-44.4173.9-58.3178.6146.700111.1G230 K231 N237 K238G230-E234 PolarHBondContact O-N 3.11Å; K231-E234 WeakPolarHBondContact O-CB 3.31Å; K231-E234 PolarHBondContact O-N 3.4Å; E234-N237 PolarHBondContact O-N 3.03Å; E234-K238 PolarHBondContact O-N 2.74Å
235Y94.3Very high92.2Very high46 Ų4668.8 Ų68.818%0.1835%0.351CS..Hα-helixtrans-60.7-44.5174.4177.4-105.9000112.5V103 A219 A220 F222 K231 T233 N237 K238 L239V103-Y235 HydrophobicContact CB-CD1 4.17Å; V103-Y235 HydrophobicContact CB-CE1 4.06Å; V103-Y235 HydrophobicContact CG1-CD1 4.02Å; V103-Y235 HydrophobicContact CG1-CE1 3.91Å; V103-Y235 HydrophobicContact CG2-CD1 4.37Å; A219-Y235 HydrophobicContact CB-CE2 4.47Å; A219-Y235 VanDerWaalsContact O-CD2 3.27Å; A219-Y235 WeakPolarHBondContact O-CD2 3.47Å; A219-Y235 VanDerWaalsContact O-CE2 3.24Å; A219-Y235 WeakPolarHBondContact O-CE2 3.28Å; A220-Y235 HydrophobicContact CB-CE1 3.95Å; F222-Y235 HydrophobicContact CE2-CD1 4.13Å; F222-Y235 HydrophobicContact CE2-CG 4.27Å; F222-Y235 HydrophobicContact CZ-CD1 4.14Å; F222-Y235 HydrophobicContact CZ-CD2 4.38Å; F222-Y235 AromaticContact CZ-CG 3.81Å; F222-Y235 HydrophobicContact CZ-CG 3.81Å; K231-Y235 WeakPolarHBondContact O-CB 3.46Å; K231-Y235 PolarHBondContact O-N 3.45Å; T233-Y235 VanDerWaalsContact C-N 3.35Å; Y235-N237 PolarHBondContact O-N 2.93Å; Y235-K238 PolarHBondContact O-N 3.47Å; Y235-L239 HydrophobicContact CD1-CD1 4.1Å; Y235-L239 HydrophobicContact CE1-CD1 3.51Å; Y235-L239 HydrophobicContact CE1-CG 4.3Å; Y235-L239 HydrophobicContact CE2-CD1 4.42Å; Y235-L239 HydrophobicContact CE2-CG 4.41Å; Y235-L239 WeakPolarHBondContact O-CG 3.45Å; Y235-L239 PolarHBondContact O-N 2.75Å
236M93.7Very high91.7Very high11 Ų1165.5 Ų65.55%0.05434%0.34CS..Hα-helixtrans-59.4-44.6172.9178.7-174.97500112.1I172 L189 H232 T233 L239 L240I172-M236 HydrophobicContact CG2-SD 4.28Å; L189-M236 HydrophobicContact CB-CG 4.41Å; L189-M236 HydrophobicContact CB-SD 4.43Å; L189-M236 HydrophobicContact CD1-CB 4Å; L189-M236 HydrophobicContact CD1-CG 3.89Å; L189-M236 HydrophobicContact CG-CB 4.45Å; L189-M236 HydrophobicContact CG-CG 3.93Å; L189-M236 HydrophobicContact CG-SD 4.38Å; L189-M236 PolarHBondContact N-SD 3.44Å; L189-M236 VanDerWaalsContact N-SD 3.36Å; H232-M236 PolarHBondContact O-N 3.44Å; H232-M236 VanDerWaalsContact O-N 3.08Å; T233-M236 HydrophobicContact CG2-CE 4.16Å; T233-M236 PolarHBondContact O-N 3.45Å; M236-L239 PolarHBondContact O-N 3.21Å; M236-L240 HydrophobicContact CG-CD1 4.05Å; M236-L240 WeakPolarHBondContact O-CG 3.46Å; M236-L240 PolarHBondContact O-N 2.86Å
237N93.3Very high90.9Very high86 Ų8666.6 Ų66.646%0.4634%0.344SS..Hα-helixtrans-64.8-39.6179.2-70.7-16.7000111.7T233 E234 Y235 L240 Q241T233-N237 WeakPolarHBondContact O-CB 3.42Å; T233-N237 PolarHBondContact O-N 3.11Å; T233-N237 PolarHBondContact O-ND2 2.67Å; E234-N237 PolarHBondContact O-N 3.03Å; Y235-N237 PolarHBondContact O-N 2.93Å; N237-L240 PolarHBondContact O-N 2.87Å; N237-Q241 PolarHBondContact O-N 2.85Å
238K93.6Very high89.9Confident122 Ų12268.8 Ų68.853%0.5336%0.362SS..Hα-helixtrans-59.4-51.4172.4-177.5-177.3174.3-177.30111.3E234 Y235 L240 Q241 D242E234-K238 PolarHBondContact O-N 2.74Å; Y235-K238 PolarHBondContact O-N 3.47Å; K238-L240 PolarHBondContact O-N 3.02Å; K238-Q241 WeakPolarHBondContact O-CB 3.4Å; K238-Q241 PolarHBondContact O-N 3.39Å; K238-D242 VanDerWaalsContact O-CG 3.3Å; K238-D242 PolarHBondContact O-N 3.45Å
239L92.6Very high88.3Confident40 Ų4069.5 Ų69.521%0.20936%0.359CS..Hα-helixtrans-57.9-37176.8-69.4176.8000112M169 L189 Y235 M236 F243M169-L239 HydrophobicContact CE-CB 3.47Å; M169-L239 VanDerWaalsContact CE-CB 3.47Å; M169-L239 VanDerWaalsContact CE-O 3.24Å; M169-L239 WeakPolarHBondContact CE-O 3.45Å; M169-L239 HydrophobicContact SD-CB 4.41Å; L189-L239 HydrophobicContact CD1-CD1 3.81Å; Y235-L239 HydrophobicContact CD1-CD1 4.1Å; Y235-L239 HydrophobicContact CE1-CD1 3.51Å; Y235-L239 HydrophobicContact CE1-CG 4.3Å; Y235-L239 HydrophobicContact CE2-CD1 4.42Å; Y235-L239 HydrophobicContact CE2-CG 4.41Å; Y235-L239 WeakPolarHBondContact O-CG 3.45Å; Y235-L239 PolarHBondContact O-N 2.75Å; M236-L239 PolarHBondContact O-N 3.21Å; L239-F243 VanDerWaalsContact O-CB 3.26Å; L239-F243 WeakPolarHBondContact O-CB 3.38Å; L239-F243 PolarHBondContact O-N 3.3Å
240L92.2Very high86.7Confident25 Ų2569.1 Ų69.113%0.13135%0.352CS..Hα-helixtrans-67.7-35.5177.4-77.4164.3000112.4M169 I172 R173 M236 N237 K238 F243 C244M169-L240 HydrophobicContact CE-CB 4.22Å; M169-L240 HydrophobicContact CE-CD2 3.75Å; M169-L240 HydrophobicContact CE-CG 3.72Å; M169-L240 VanDerWaalsContact CE-N 3.28Å; M169-L240 HydrophobicContact SD-CD2 4.49Å; I172-L240 HydrophobicContact CB-CD2 4.4Å; I172-L240 HydrophobicContact CG2-CD1 3.87Å; I172-L240 HydrophobicContact CG2-CD2 4.17Å; R173-L240 HydrophobicContact CB-CD2 4.29Å; R173-L240 PolarHBondContact NH2-O 3.49Å; M236-L240 HydrophobicContact CG-CD1 4.05Å; M236-L240 WeakPolarHBondContact O-CG 3.46Å; M236-L240 PolarHBondContact O-N 2.86Å; N237-L240 PolarHBondContact O-N 2.87Å; K238-L240 PolarHBondContact O-N 3.02Å; L240-F243 CarbonylContact O-C 3.23Å; L240-C244 PolarHBondContact O-N 3Å; L240-C244 PolarHBondContact O-SG 2.85Å; L240-C244 VanDerWaalsContact O-SG 3.41Å
241Q92.7Very high84.9Confident114 Ų11474.4 Ų74.453%0.53337%0.374SS..Hα-helixtrans-69.5-47.2174.4-174.6178.421.600111.4N237 K238 F243 C244 Q245N237-Q241 PolarHBondContact O-N 2.85Å; K238-Q241 WeakPolarHBondContact O-CB 3.4Å; K238-Q241 PolarHBondContact O-N 3.39Å; Q241-F243 VanDerWaalsContact C-N 3.27Å; Q241-F243 PolarHBondContact O-N 2.85Å; Q241-C244 WeakPolarHBondContact O-CA 3.41Å; Q241-C244 VanDerWaalsContact O-CB 3.31Å; Q241-C244 WeakPolarHBondContact O-CB 3.27Å; Q241-C244 PolarHBondContact O-N 3.01Å; Q241-Q245 WeakPolarHBondContact O-CG 3.42Å; Q241-Q245 PolarHBondContact O-N 3.38Å
242D91.8Very high82.9Confident68 Ų6875.7 Ų75.736%0.36439%0.386SS..Hα-helixtrans-57.9-42.3175-63.2-20.7000110.1K238 C244 Q245 S246K238-D242 VanDerWaalsContact O-CG 3.3Å; K238-D242 PolarHBondContact O-N 3.45Å; D242-C244 VanDerWaalsContact C-N 3.31Å; D242-C244 PolarHBondContact O-N 3.17Å; D242-Q245 PolarHBondContact O-N 2.87Å; D242-S246 WeakPolarHBondContact O-CB 3.34Å; D242-S246 PolarHBondContact O-N 3.05Å
243F89.5Confident80.8Confident25 Ų2578.3 Ų78.311%0.1141%0.409CS..Hα-helixtrans-75.9-8.2174.3-172.9-119.9000114.9E166 M169 R170 R173 L239 L240 Q241 K247E166-F243 HydrophobicContact CB-CE2 3.7Å; E166-F243 HydrophobicContact CB-CZ 3.85Å; E166-F243 HydrophobicContact CG-CE2 3.94Å; E166-F243 VanDerWaalsContact O-CZ 3.24Å; E166-F243 WeakPolarHBondContact O-CZ 3.28Å; M169-F243 HydrophobicContact CB-CD1 3.48Å; M169-F243 VanDerWaalsContact CB-CD1 3.48Å; M169-F243 HydrophobicContact CB-CE1 3.6Å; M169-F243 HydrophobicContact CB-CG 4.08Å; M169-F243 HydrophobicContact CB-CZ 4.3Å; M169-F243 HydrophobicContact CE-CB 4.31Å; R170-F243 HydrophobicContact CG-CE1 3.82Å; R170-F243 HydrophobicContact CG-CZ 3.97Å; R173-F243 VanDerWaalsContact NH2-CD1 3.27Å; R173-F243 PolarHBondContact NH2-O 2.87Å; L239-F243 VanDerWaalsContact O-CB 3.26Å; L239-F243 WeakPolarHBondContact O-CB 3.38Å; L239-F243 PolarHBondContact O-N 3.3Å; L240-F243 CarbonylContact O-C 3.23Å; Q241-F243 VanDerWaalsContact C-N 3.27Å; Q241-F243 PolarHBondContact O-N 2.85Å; F243-K247 VanDerWaalsContact CZ-NZ 3.33Å
244C88.8Confident78.6Confident60 Ų6083.8 Ų83.841%0.40543%0.431SS..Hα-helixtrans-79.9-55.4164.2-82.30000108.9R173 L240 Q241 D242 S246 K247R173-C244 PolarHBondContact NH2-SG 3.48Å; L240-C244 PolarHBondContact O-N 3Å; L240-C244 PolarHBondContact O-SG 2.85Å; L240-C244 VanDerWaalsContact O-SG 3.41Å; Q241-C244 WeakPolarHBondContact O-CA 3.41Å; Q241-C244 VanDerWaalsContact O-CB 3.31Å; Q241-C244 WeakPolarHBondContact O-CB 3.27Å; Q241-C244 PolarHBondContact O-N 3.01Å; D242-C244 VanDerWaalsContact C-N 3.31Å; D242-C244 PolarHBondContact O-N 3.17Å; C244-S246 PolarHBondContact O-N 3.04Å; C244-K247 PolarHBondContact O-N 3.39Å; C244-K247 VanDerWaalsContact O-N 3.08Å
245Q87.6Confident76.3Confident107 Ų10784.8 Ų84.850%0.543%0.434SS..Hα-helixtrans-57.4-35.3-179.6-64.3175.918.600112.1Q241 D242 K247 S248Q241-Q245 WeakPolarHBondContact O-CG 3.42Å; Q241-Q245 PolarHBondContact O-N 3.38Å; D242-Q245 PolarHBondContact O-N 2.87Å; Q245-K247 PolarHBondContact O-N 3.33Å; Q245-S248 WeakPolarHBondContact CA-OG 3.26Å; Q245-S248 PolarHBondContact O-N 2.89Å; Q245-S248 PolarHBondContact O-OG 2.99Å
246S81.6Confident73.9Confident33 Ų3391.1 Ų91.123%0.23147%0.465CS..Hα-helixtrans-66.2-18.1-179.882.40000114.8D242 C244 Y249D242-S246 WeakPolarHBondContact O-CB 3.34Å; D242-S246 PolarHBondContact O-N 3.05Å; C244-S246 PolarHBondContact O-N 3.04Å; S246-Y249 VanDerWaalsContact CA-CE1 3.42Å; S246-Y249 WeakPolarHBondContact O-CE2 3.46Å
247K75.3Confident71.3Confident76 Ų7699.8 Ų99.833%0.3351%0.505SS..Hα-helixtrans-93.6-29.2178.3-69.9-176.7179.11760112.7F243 C244 Q245 S250F243-K247 VanDerWaalsContact CZ-NZ 3.33Å; C244-K247 PolarHBondContact O-N 3.39Å; C244-K247 VanDerWaalsContact O-N 3.08Å; Q245-K247 PolarHBondContact O-N 3.33Å; K247-S250 PolarHBondContact O-N 3.26Å
248S69.2Low68.8Low73 Ų73101.8 Ų101.851%0.5152%0.521SS..Hα-helixtrans-65.4-44.7175.633.10000112.1Q245 S250 L251Q245-S248 WeakPolarHBondContact CA-OG 3.26Å; Q245-S248 PolarHBondContact O-N 2.89Å; Q245-S248 PolarHBondContact O-OG 2.99Å; S248-S250 VanDerWaalsContact C-N 3.25Å; S248-S250 PolarHBondContact O-N 2.85Å; S248-L251 PolarHBondContact O-N 2.75Å
249Y59.3Low65.9Low160 Ų160101.7 Ų101.763%0.62753%0.53SS*.Hα-helixtrans-63-33.1178.666.5-124.4000112.8S246 L251 S253S246-Y249 VanDerWaalsContact CA-CE1 3.42Å; S246-Y249 WeakPolarHBondContact O-CE2 3.46Å; Y249-L251 PolarHBondContact O-N 2.93Å; Y249-S253 PolarHBondContact O-N 2.89Å; Y249-S253 PolarHBondContact O-OG 2.84Å
250S58.4Low63.4Low66 Ų66107.5 Ų107.546%0.46256%0.56SS.*Hα-helixtrans-76.5-8.6-176.7-169.30000113.8K247 S248K247-S250 PolarHBondContact O-N 3.26Å; S248-S250 VanDerWaalsContact C-N 3.25Å; S248-S250 PolarHBondContact O-N 2.85Å
251L56.2Low60.8Low131 Ų131114.7 Ų114.769%0.68660%0.598SS**Hα-helixtrans-99.9-30.2177.9-82.3162.1000112.9S248 Y249S248-L251 PolarHBondContact O-N 2.75Å; Y249-L251 PolarHBondContact O-N 2.93Å
252D52Low57.9Low115 Ų115112.4 Ų112.462%0.61561%0.605SS**Hα-helixtrans-76.9-42.6173.4-92.2-23.1000112Q254 K255D252-Q254 PolarHBondContact O-N 3.44Å; D252-K255 WeakPolarHBondContact O-CB 3.43Å; D252-K255 PolarHBondContact O-N 3.46Å
253S47.3Very low55.3Low103 Ų103114.8 Ų114.872%0.7263%0.627SS**THydrogen-bonded Turntrans-68.73.7179.3-590000115.2Y249Y249-S253 PolarHBondContact O-N 2.89Å; Y249-S253 PolarHBondContact O-OG 2.84Å
254Q47.9Very low52.8Low169 Ų169120.7 Ų120.779%0.7966%0.658SS**THydrogen-bonded Turntrans-110.514168.2-66.1-159.4-33.500113.2D252D252-Q254 PolarHBondContact O-N 3.44Å
255K44.4Very low50.2Low151 Ų151123.8 Ų123.866%0.65767%0.671SS**SBendtrans-115.7-13-173.7-153.6174.9-179.2-176.30115.1D252D252-K255 WeakPolarHBondContact O-CB 3.43Å; D252-K255 PolarHBondContact O-N 3.46Å
256E44.1Very low47.7Very low178 Ų178123.2 Ų123.283%0.83268%0.679SS**SBendtrans-89-17.1-178-67.8-165.8115.400114.7T258E256-T258 VanDerWaalsContact C-N 3.33Å; E256-T258 PolarHBondContact O-N 3.36Å
257E40.2Very low45.5Very low194 Ų194127.1 Ų127.191%0.90771%0.706SS**THydrogen-bonded Turntrans-91.536.1-178.1-151179.8162.500114
258T39.4Very low43.6Very low128 Ų128129 Ų12979%0.78572%0.724SS**THydrogen-bonded Turntrans-150.639.1173.5-37.80000113.7E256E256-T258 VanDerWaalsContact C-N 3.33Å; E256-T258 PolarHBondContact O-N 3.36Å
259T34.5Very low42Very low119 Ų119129.2 Ų129.273%0.7373%0.725SS**  trans-138.144.6-178.8-380000115.1
260I39.8Very low41.1Very low163 Ų163124.1 Ų124.184%0.83671%0.713SS**SBendtrans-133.281.9165.3-55.7-176.2000111.2
261L36.8Very low40.7Very low176 Ų176124.5 Ų124.592%0.92171%0.714SS**  trans165.6118136.1-91.3164000108.2
262G32Very low40Very low66 Ų66124 Ų12468%0.6871%0.712SS**  trans-122.9174.4176.300000111.6
263S38.3Very low39.4Very low118 Ų118125 Ų12583%0.82572%0.717SS**  trans69.8143.1-170.3-63.80000114.1
264L35.2Very low39.2Very low148 Ų148124 Ų12478%0.77572%0.715SS**  cis-145.9150.418-156.872.8000112.8
265D34.2Very low38.8Very low126 Ų126120.9 Ų120.967%0.67471%0.712SS**  trans31.1115.2156.5-78.7-63.8000125.2
266S36Very low39Very low94 Ų94120.3 Ų120.366%0.65772%0.721SS**  66.9121.8111.1-55.30000124.3
267S35.4Very low39Very low115 Ų115116.1 Ų116.180%0.80471%0.709SS**  trans80.1150.6148.1840000119.5
268V34.5Very low38.9Very low117 Ų117115 Ų11571%0.70970%0.703SS**  cis-162.2147.4-14.5116.80000113.7
269S36.7Very low38.9Very low77 Ų77114.4 Ų114.454%0.53870%0.7SS.*  trans63.1-122.5166.4-350000127.4S789S269-S789 VanDerWaalsContact CB-C 3.48Å; S269-S789 VanDerWaalsContact CB-O 3.24Å; S269-S789 WeakPolarHBondContact CB-O 3.46Å; S269-S789 PolarHBondContact OG-O 3.34Å
270S40.5Very low39.2Very low52 Ų52113.6 Ų113.636%0.36470%0.699SS.*  trans-165170.9-131-77.80000118.8S789 E790S270-S789 VanDerWaalsContact C-OG 3.3Å; S270-S789 VanDerWaalsContact O-CB 3.28Å; S270-S789 WeakPolarHBondContact O-CB 3.11Å; S270-S789 PolarHBondContact O-OG 3.01Å; S270-E790 CarbonylContact C-O 3.38Å; S270-E790 PolarHBondContact N-O 3.2Å; S270-E790 CarbonylContact O-C 3.51Å; S270-E790 VanDerWaalsContact O-C 3.23Å; S270-E790 WeakPolarHBondContact O-CA 3.43Å
271P50.4Low39Very low75 Ų75114.2 Ų114.249%0.48770%0.698SS.*  trans-118.8-149.4-151.938-21.1000117.3V791P271-V791 HydrophobicContact CB-CG2 4.07Å
272N41.1Very low38.9Very low120 Ų120110.4 Ų110.464%0.64269%0.687SS**  trans98.8156.4169-68.436.8000117.7
273D39.6Very low39.2Very low137 Ų137112.7 Ų112.773%0.73369%0.692SS**  cis-157.5170.52.6-134.2-45.8000115.3
274A41.6Very low39.1Very low81 Ų81110.6 Ų110.667%0.66968%0.677SS**  trans63158.315300000120.7
275S40.5Very low39.2Very low104 Ų104113.5 Ų113.573%0.72768%0.68SS**  cis-160.2121.313.3-2.90000116.1
276V48.3Very low39.3Very low139 Ų139112.3 Ų112.384%0.84268%0.681SS**  trans59.1175.5135.2-118.10000121.2
277P43.1Very low39.2Very low89 Ų89115.7 Ų115.758%0.57869%0.692SS**  -139.5-161.4-104.149.3-31.2000118.6
278H39.7Very low39.1Very low170 Ų170114 Ų11479%0.78769%0.692SS**  trans76.7152159.7-65.2-28.2000117.1
279T37.8Very low39.3Very low117 Ų117120.7 Ų120.772%0.71870%0.704SS**  cis-160.8159.13.220000110.4
280S41.9Very low39.2Very low102 Ų102124.9 Ų124.971%0.71372%0.721SS**  trans51.1145.8151.358.10000121.1
281E35.1Very low39.1Very low175 Ų175133 Ų13382%0.81874%0.743SS**  cis-164.1155.93.4-122.3177-175.300112.3
282S35.7Very low38.3Very low97 Ų97138.9 Ų138.968%0.67876%0.762SS**  trans52.3121.9142.8-61.70000124.7
283S37.6Very low37.9Very low114 Ų114142.2 Ų142.280%0.79777%0.765SS**  trans81.3149.6145.594.80000117.9
284S36.6Very low37.7Very low73 Ų73144.2 Ų144.251%0.5177%0.768SS.*  cis-163.9170.8-4.425.20000113.7
285Y36Very low37.4Very low210 Ų210147 Ų14782%0.82477%0.767SS**  trans89.986.3159.9-48.4-63.4000122.9
286S36.9Very low37.2Very low100 Ų100148.6 Ų148.670%0.69977%0.767SS**  102.6136.8113.380.50000123.6
287N34.6Very low36.7Very low166 Ų166147.2 Ų147.289%0.88876%0.759SS**  trans74.8116.4150.8-61.8-30.9000121.7
288G33.6Very low36.5Very low78 Ų78148.1 Ų148.180%0.80477%0.768SS**  trans-16516.6-178.900000121.4
289R38.1Very low36.2Very low259 Ų259148 Ų14898%0.97777%0.77SS**  trans64.1139.5-179.8-73.1179.6167.6147.2-2117.6
290N34.8Very low35.9Very low164 Ų164151 Ų15188%0.87778%0.78SS**  trans-109.2155.3164.3-152.2-12000110.5
291R37.7Very low35.4Very low223 Ų223150.8 Ų150.884%0.84278%0.779SS**  trans-121.8114-176.2-178.7-162.2-137.3169.65.3109.1R293R291-R293 PolarHBondContact O-N 2.96Å; R291-R293 VanDerWaalsContact O-N 3.11Å
292F33.6Very low35.4Very low199 Ų199149.1 Ų149.187%0.87378%0.78SS**  trans-66.7111.6170.8-107-92000110.3
293R33.1Very low35.2Very low190 Ų190153.1 Ų153.172%0.71779%0.788SS**  trans-79.1156.9136.9-86.4-174.3170.7-178.4-2.3107.6R291 E295R291-R293 PolarHBondContact O-N 2.96Å; R291-R293 VanDerWaalsContact O-N 3.11Å; R293-E295 HydrophobicContact CB-CG 4.48Å
294F35.9Very low34.9Very low179 Ų179154.8 Ų154.879%0.78579%0.788SS**  trans-107.7143.4140.8-146.5-92.8000106.8
295E35Very low34.8Very low138 Ų138156.6 Ų156.665%0.64580%0.801SS**  trans-109.2156179.2-58.9-177.3110.300108.6R293R293-E295 HydrophobicContact CB-CG 4.48Å
296D36.8Very low34.5Very low138 Ų138149.5 Ų149.574%0.73879%0.792SS**  trans167.5141.8147.9-95.6-33.1000110.8
297T38Very low34.2Very low110 Ų110150.8 Ų150.868%0.67580%0.795SS**  cis-154.6168.3-25.1-20.20000108.1
298S37.7Very low33.9Very low108 Ų108151.6 Ų151.676%0.75579%0.794SS**  trans65.9124.5169.669.30000116.9
299M33.3Very low33.8Very low169 Ų169154.5 Ų154.583%0.83380%0.795SS**  cis87.275.536.4-62-69.4-175.200115.3
300L33Very low33.5Very low178 Ų178147.3 Ų147.393%0.93279%0.785SS**  -134.9143127.1-77.3-176.4000108.4
301S30.6Very low33.4Very low98 Ų98146.7 Ų146.769%0.68578%0.781SS**  trans-156.5146.6-176.7-67.80000109.5
302V34.5Very low33.1Very low141 Ų141147 Ų14786%0.85578%0.782SS**  trans69.7135-176.5-166.90000110
303E32.4Very low33Very low181 Ų181143 Ų14385%0.84678%0.778SS**  cis-101.3151.527.2-59.5-176125.300116.4
304N30.7Very low32.9Very low149 Ų149139 Ų13980%0.79778%0.775SS**  trans-12384.9-179.6178.364.4000109.8G306N304-G306 PolarHBondContact O-N 3.32Å
305S35Very low32.7Very low111 Ų111136 Ų13678%0.77677%0.771SS**  trans-75.170.5178.4-53.50000111.7V307S305-V307 PolarHBondContact O-N 3.49Å
306G28.8Very low32.8Very low61 Ų61138.3 Ų138.363%0.62978%0.782SS**  trans-70.588.8177.300000112.4N304 Q308N304-G306 PolarHBondContact O-N 3.32Å; G306-Q308 PolarHBondContact O-N 3.36Å
307V30.7Very low32.6Very low127 Ų127135.9 Ų135.977%0.7778%0.776SS**  trans-75.5103169179.80000108.9S305 V309S305-V307 PolarHBondContact O-N 3.49Å; V307-V309 HydrophobicContact CG1-CG2 4.32Å
308Q28.5Very low32.6Very low183 Ų183137.1 Ų137.186%0.85578%0.779SS**  trans-71.9134162.5-67.3-176.7-14.800109.4G306G306-Q308 PolarHBondContact O-N 3.36Å
309V31.2Very low32.6Very low138 Ų138140 Ų14084%0.83678%0.78SS**  trans-124.3120.5152.7179.90000105.9V307V307-V309 HydrophobicContact CG1-CG2 4.32Å
310S32.7Very low32.9Very low108 Ų108139 Ų13976%0.75578%0.784SS**  trans-99.8128.4-175.1-172.10000110.5R312S310-R312 PolarHBondContact O-N 2.98Å
311D31.5Very low33Very low151 Ų151135.9 Ų135.981%0.80778%0.777SS**  trans-66.5120.4160.4-77.1-51000109.6
312R31.7Very low33.3Very low230 Ų230135.8 Ų135.887%0.86878%0.782SS**  trans157.8142.9132.4-89.5171.6175.3-166.2-2.5114.9S310S310-R312 PolarHBondContact O-N 2.98Å
313C31.4Very low33.4Very low114 Ų114133.8 Ų133.877%0.7777%0.774SS**  trans73.5150.9146.1-70.50000119.6
314T31Very low33.8Very low107 Ų107133.3 Ų133.366%0.65678%0.777SS**  cis-170156.6-15.3-1010000112.2
315T32.8Very low33.8Very low117 Ų117137.2 Ų137.272%0.71878%0.78SS**  trans56.1125.1165.349.10000121.3
316Q36.5Very low33.9Very low185 Ų185139.6 Ų139.686%0.86478%0.779SS**  -177.3152.697.4-92172.45100107.7
317S33.1Very low34.4Very low87 Ų87143.4 Ų143.461%0.60878%0.783SS**  cis166.8114.4-34.946.20000105.5
318D38.6Very low34.5Very low137 Ų137147.7 Ų147.773%0.73379%0.786SS**  trans-167.5118.7152-96.8-26000108.6
319Q37.6Very low34.8Very low167 Ų167148.2 Ų148.278%0.7879%0.785SS**  59.6104.994.3-62.8-168.891.900112
320T37.8Very low35.2Very low149 Ų149150 Ų15091%0.91479%0.789SS**  -154.2-174.966.535.10000113.2
321S35.1Very low35Very low112 Ų112155.1 Ų155.178%0.78379%0.792SS**  trans-129.5165.4-15259.70000117.1
322A37.6Very low35.2Very low96 Ų96155 Ų15579%0.79379%0.786SS**  trans82.3154.4165.200000116.5
323S37.9Very low35.4Very low100 Ų100149.6 Ų149.670%0.69978%0.779SS**  cis-148.3137.29.5-153.90000115.8
324L38.9Very low35.7Very low171 Ų171150.8 Ų150.890%0.89578%0.778SS**  trans64.3158.1151.4-71169.2000122.4
325R31.8Very low36Very low231 Ų231153 Ų15387%0.87278%0.778SS**  trans-126.2149.5-175.4-59.2169.7174.9163-3.5110.7
326E36.9Very low36.3Very low161 Ų161154 Ų15475%0.75278%0.779SS**  -178.1179.9123.2-100.2-56.391.100107.4
327I38.3Very low36.2Very low140 Ų140152.6 Ų152.672%0.71878%0.777SS**  cis-137.1166.810.7-163.3158.9000112.1
328R33.2Very low36.2Very low217 Ų217152.2 Ų152.282%0.81978%0.775SS**  trans-125157.4162.5-74.7-175.9178.5160.4-2112.8
329K36Very low36Very low195 Ų195152.6 Ų152.685%0.84878%0.777SS**  trans94.2140.8-175-56.5155-174.3173.40110.5
330L38.2Very low35.6Very low176 Ų176149 Ų14992%0.92178%0.775SS**  cis-120.6-176.837-71.9159.6000115.6
331R29.5Very low35.3Very low215 Ų215148 Ų14881%0.81177%0.769SS**  trans-132.6167.6178.4-77-179.8174.7167.6-4110.3
332H35.6Very low35Very low149 Ų149148 Ų14869%0.6977%0.769SS**  trans104.4133.9151.1-64.8-76000119
333T35.8Very low34.9Very low116 Ų116150.2 Ų150.271%0.71277%0.773SS**  trans60.7135.9149.246.80000117.4
334D38.4Very low34.6Very low139 Ų139150.8 Ų150.874%0.74378%0.776SS**  cis-158.717717.1-96.7-33.2000108.2
335K37Very low34.3Very low154 Ų154150.5 Ų150.567%0.6778%0.776SS**  cis-179.6137.7-27.7168.3172.4173178.60109.4
336D38.1Very low34.4Very low136 Ų136144.6 Ų144.673%0.72778%0.776SS**  trans58158.8171.7-53.2-21.6000115.9
337N33.9Very low34.1Very low156 Ų156141.9 Ų141.983%0.83478%0.775SS**  cis-136.3-172.48-161-5.7000111.4
338S34.7Very low33.8Very low80 Ų80143 Ų14356%0.55978%0.781SS**  trans-111.4177.2-149.353.90000116.4
339N32.7Very low33.9Very low145 Ų145137 Ų13778%0.77578%0.779SS**  trans89.9118.7170.2-46.7-66.8000114.7
340A30.6Very low34Very low90 Ų90134.5 Ų134.574%0.74478%0.775SS**  cis78.6138.348.100000112.2
341V30.5Very low34Very low129 Ų129135.1 Ų135.178%0.78277%0.77SS**  cis-161-178.80.8102.90000110.6
342S29.6Very low34.3Very low113 Ų113128.7 Ų128.779%0.7976%0.758SS**  trans81.7153.4157.865.80000120.7
343V35.7Very low34.4Very low142 Ų142130.4 Ų130.486%0.86176%0.763SS**  trans-114.6144.7-177175.70000108.6
344S31.6Very low34.6Very low111 Ų111132.3 Ų132.378%0.77677%0.768SS**  trans-161.1143.6162.953.20000112.3
345D33.1Very low34.4Very low166 Ų166131.5 Ų131.589%0.88876%0.764SS**  trans-62.9150.6173.2-53.3-98.5000113.2
346A33.1Very low34.3Very low107 Ų107133.2 Ų133.288%0.88477%0.768SS**  trans-149.7148.3156.600000110.8
347S30.8Very low34.2Very low103 Ų103132.1 Ų132.172%0.7276%0.762SS**  trans-109.1161.6-17460.50000113.1
348L32.2Very low34.2Very low163 Ų163130.6 Ų130.685%0.85375%0.753SS**  trans65.9115.7152.4-73.2164.5000120.3
349A34.4Very low34.4Very low93 Ų93132 Ų13277%0.76976%0.764SS**  94.3140.711900000122.5
350D38.3Very low34.4Very low142 Ų142132 Ų13276%0.75976%0.764SS**  trans85140.3143.8-157.533.4000122.2S352D350-S352 PolarHBondContact OD1-N 2.82Å
351K37.4Very low34.9Very low189 Ų189137.4 Ų137.482%0.82277%0.77SS**  trans-176.6102153.1-97.8147.8-172.2169.30106.7
352S37Very low35.2Very low80 Ų80140.3 Ų140.356%0.55978%0.775SS**  76.5151.983.983.70000114.5D350D350-S352 PolarHBondContact OD1-N 2.82Å
353K38Very low35.6Very low185 Ų185138.4 Ų138.480%0.80477%0.774SS**  cis-169-176.120.8-146.2162.9-174176.50112.4
354L38.8Very low35.6Very low156 Ų156136.5 Ų136.582%0.81777%0.767SS**  trans92.9145.1160.6-51.5-176.6000118.2
355N34.9Very low35.7Very low122 Ų122142.9 Ų142.965%0.65277%0.774SS**  cis-168.3154-29.7-167.428.1000112.1
356Y34.4Very low35.7Very low190 Ų190141.7 Ų141.775%0.74577%0.768SS**  trans67.7153.1151.4-102.4-150.3000119.9
357N35.6Very low35.9Very low112 Ų112145 Ų14560%0.59976%0.764SS**  cis-159.4158.6-5.8-151.98.6000115.9
358N34.1Very low36.1Very low124 Ų124144.2 Ų144.266%0.66376%0.759SS**  trans54.3122.7140.6-167.743.2000123.8
359S39Very low36.1Very low111 Ų111142 Ų14278%0.77676%0.757SS**  179.4152.7114-77.50000113
360N33.8Very low36.3Very low145 Ų145142.2 Ų142.278%0.77575%0.753SS**  trans-147.7140.5-166.7-177.88000113.3
361K40Very low35.9Very low203 Ų203143 Ų14388%0.88376%0.757SS**  trans-161.4167.2157.7-117.6169.1-175.4177.70113.7
362Q37.7Very low35.8Very low190 Ų190139.9 Ų139.989%0.88876%0.759SS**  trans-116.4167.1-149.3-57.9165.6-54.400115.9
363G37.4Very low35.6Very low73 Ų73140.8 Ų140.875%0.75377%0.765SS**  trans152.467.7164.900000113.8
364S35.2Very low35.6Very low102 Ų102137.3 Ų137.371%0.71376%0.764SS**  63.198.672.2-177.60000115.9
365W35.5Very low35.4Very low245 Ų245137.5 Ų137.593%0.92877%0.766SS**  trans-148133.4139.2-85.897.2000108.8
366N31.4Very low35.4Very low141 Ų141141 Ų14175%0.75477%0.772SS**  trans-127.1145.3179.8-80.2-35.1000109.6
367H37.5Very low35.4Very low176 Ų176135.8 Ų135.882%0.81576%0.763SS**  trans-171.4151.3147.2-86.2-51.4000108.9
368S35.6Very low35.3Very low87 Ų87134.7 Ų134.761%0.60876%0.76SS**  cis179.9128.7-29.5-99.90000107.2
369S32.9Very low35.4Very low116 Ų116138.4 Ų138.481%0.81177%0.765SS**  trans64.7152.6144.8-56.80000120
370S37.9Very low35.4Very low97 Ų97141.8 Ų141.868%0.67877%0.766SS**  cis-171.9146.3-12.546.40000112.5
371N29.8Very low35.5Very low159 Ų159141.6 Ų141.685%0.8576%0.764SS**  trans58.2151.8143.8-70.98.2000123.8
372S35.3Very low35.4Very low123 Ų123135.3 Ų135.386%0.8676%0.757SS**  trans84142150.2-148.20000117.3
373S32.4Very low35.5Very low100 Ų100135.1 Ų135.170%0.69975%0.753SS**  cis-175.9163.9-23.7-178.40000108.8
374S39.1Very low35.4Very low112 Ų112138.6 Ų138.678%0.78375%0.754SS**  trans97.5142.2158800000119.4
375D34.2Very low35.4Very low159 Ų159138.5 Ų138.585%0.8575%0.754SS**  trans-97.2156.1-167.6-48.4-101.5000113
376Y34.8Very low35.5Very low197 Ų197137.2 Ų137.277%0.77375%0.75SS**  176.5107.3116.9-177.6-95.6000114
377S34.1Very low35.6Very low79 Ų79133.6 Ų133.655%0.55275%0.746SS**  trans33.1117.7133.3-80.50000124.1
378T34.8Very low35.3Very low89 Ų89131.5 Ų131.555%0.54675%0.746SS.*  111127.7112.458.50000122.7
379R36Very low35.1Very low202 Ų202136.3 Ų136.376%0.76276%0.756SS**  trans70.6151.9153.1-65.8170.2-70.5-157.7-0.8114.9
380K39.2Very low35Very low183 Ų183138.6 Ų138.680%0.79675%0.754SS**  cis-164.6162.9-7.7-113.1176.7173.9-173.90106.3
381L34.9Very low34.9Very low141 Ų141143.3 Ų143.374%0.73876%0.762SS**  cis-179.9134.3-30.1166.464.4000107.1
382G37.9Very low35.1Very low71 Ų71145.1 Ų145.173%0.73276%0.763SS**  trans-136.6145.2177.100000113.3
383K39.1Very low34.7Very low186 Ų186147.2 Ų147.281%0.80976%0.764SS**  trans-140.9144.6179.3-72.3-175.2174.5-173.40111.1
384N36.4Very low34.7Very low145 Ų145147.8 Ų147.878%0.77577%0.768SS**  trans-156.7134144.9-84.2-33.4000105.5
385S35.4Very low34.4Very low101 Ų101146.8 Ų146.871%0.70676%0.761SS**  cis96.1155.925.7-158.70000114
386Y36.6Very low34.2Very low218 Ų218147.8 Ų147.886%0.85576%0.761SS**  trans79.3135.1-167.4-45-62.8000115.8
387G34Very low34.2Very low65 Ų65146.1 Ų146.167%0.6777%0.765SS**  cis-179.2135.5-9.800000113.8
388T30.2Very low34.1Very low132 Ų132147.6 Ų147.681%0.8177%0.771SS**  trans-90.2145.4177.8-56.80000111.7
389F33.4Very low34Very low187 Ų187149.8 Ų149.882%0.8278%0.779SS**  trans-121.8136.6171.5-76.9-79000113.3
390H29.5Very low34.1Very low165 Ų165145.8 Ų145.876%0.76478%0.777SS**  trans-124.7131.7174.8-100.6-88.5000109.8
391F35.5Very low33.7Very low196 Ų196143.7 Ų143.786%0.8678%0.775SS**  trans-147.2108.7154.7-77.7-81.2000106.1
392K35.5Very low33.8Very low196 Ų196146.3 Ų146.385%0.85278%0.78SS**  59.5109.868.3-85.4-165.3171-174.90114.5
393N26.3Very low33.7Very low168 Ų168147.7 Ų147.790%0.89878%0.779SS**  trans-82.1136.1164.9-75.4-15.7000110.9
394S31.7Very low33.2Very low111 Ų111148 Ų14878%0.77678%0.776SS**  trans-163.3105.6155.2-91.80000105.4
395S32.8Very low33.2Very low91 Ų91147 Ų14764%0.63678%0.775SS**  86.7120.571.866.30000112.9
396E30.1Very low33.2Very low181 Ų181149 Ų14985%0.84677%0.774SS**  trans63.7109153.8-62.9167.5172.700119.2
397N35Very low33Very low162 Ų162141.9 Ų141.987%0.86677%0.766SS**  -155.6167.2114.3-117.7-36000112.8
398T31.5Very low33.2Very low109 Ų109147 Ų14767%0.66978%0.776SS**  trans-110.4-171.7-164.554.50000113.6
399N33.4Very low33.5Very low136 Ų136150.9 Ų150.973%0.72778%0.782SS**  trans77.4111.3170.8-58.2-39.4000115.4
400T37.3Very low33.6Very low117 Ų117145.6 Ų145.672%0.71878%0.78SS**  91116.558.156.70000114.6
401D32.1Very low33.9Very low139 Ų139145.4 Ų145.474%0.74378%0.784SS**  trans24.7119.7153.5-44.4-35.4000120.9
402K36.9Very low33.8Very low197 Ų197147.1 Ų147.186%0.85779%0.787SS**  -175.8149.6102.3-96.4150.1-169.8169.30116
403S34.3Very low33.8Very low99 Ų99143.8 Ų143.869%0.69278%0.782SS**  trans-27135.5153.848.50000115.2
404Y29.3Very low34.1Very low192 Ų192147.4 Ų147.475%0.75378%0.784SS**  59.8103.968.9-169.7-78.6000113.9
405V36.3Very low34.5Very low126 Ų126149.7 Ų149.776%0.76478%0.782SS**  trans-153.3155.5139.6179.80000106.4
406E35.3Very low34.6Very low143 Ų143152.2 Ų152.267%0.66878%0.783SS**  trans-57.6165.1167.6-56.8100.6127.400112.8
407G32.7Very low34.7Very low67 Ų67150.5 Ų150.569%0.69178%0.78SS**  cis104.692.311.200000112.3
408I38.5Very low34.7Very low174 Ų174147.5 Ų147.589%0.89277%0.771SS**  trans-156.1145.2160.5-106154000109
409K36Very low35.1Very low213 Ų213147.8 Ų147.893%0.92677%0.773SS**  trans-89.8142.9177.6-65.8174.8179.5174.10110.4
410G35.1Very low35.4Very low75 Ų75149.3 Ų149.377%0.77378%0.776SS**  trans-165.258.7-178.800000115.3Y412G410-Y412 PolarHBondContact O-N 3.42Å
411N37Very low35.4Very low161 Ų161149.9 Ų149.986%0.86178%0.775SS**  trans-65.7128.7163.4-79.9-2.9000109.4
412Y33.2Very low35.6Very low232 Ų232153.3 Ų153.391%0.9178%0.777SS**  -160.2139129.1-113.7-71.5000112G410G410-Y412 PolarHBondContact O-N 3.42Å
413V34.2Very low35.6Very low126 Ų126150.1 Ų150.176%0.76477%0.768SS**  trans-105.8132.8174.9171.30000108.8
414R34.4Very low35.7Very low245 Ų245153 Ų15393%0.92578%0.775SS**  trans-170.1148.1135.6-107.6166.3-158.6-124.83.5114.1
415H38.2Very low36Very low159 Ų159151.2 Ų151.274%0.73678%0.778SS**  trans-94157.7169-105.6-113000111.1
416H36.3Very low36.3Very low143 Ų143150.3 Ų150.366%0.66277%0.774SS**  trans63.4124.9155.3-67.1-54000122
417N31Very low36.4Very low145 Ų145154.6 Ų154.678%0.77578%0.784SS**  42121.9127.1-45.79.1000116.9
418S36.1Very low36.7Very low99 Ų99156.1 Ų156.169%0.69279%0.785SS**  178.5154.660.7-1760000112.1
419T39Very low36.8Very low116 Ų116155.4 Ų155.471%0.71278%0.781SS**  trans54124.6149.9420000122.6
420Q41.2Very low37.4Very low168 Ų168150.4 Ų150.479%0.78577%0.77SS**  trans81.6106.3141.9-66.6-175.117.700121.4
421N37Very low37.5Very low129 Ų129152 Ų15269%0.6977%0.769SS**  71.6119.1125.4-77.4-41.2000122.5
422R35.6Very low37.6Very low211 Ų211150.6 Ų150.680%0.79676%0.762SS**  86.6120.6128.4-77.8-176.9169.4-158.5-2.1120.7
423I36.3Very low37.9Very low129 Ų129146.9 Ų146.966%0.66275%0.753SS**  95.7102.5125.4-72.2173.4000119.1
424L37Very low38.2Very low160 Ų160148.4 Ų148.484%0.83876%0.755SS**  trans79.7134.8136.3-65.7178.7000123.3
425L36.2Very low38.4Very low155 Ų155140.8 Ų140.881%0.81274%0.739SS**  trans-78.3-163.4155.4-6065.3000108.9
426P42.7Very low38.3Very low106 Ų106139.5 Ų139.569%0.68874%0.743SS**  cis-138.5-168.8-10.132.3-8.3000115.4
427R37.6Very low38.4Very low233 Ų233142.6 Ų142.688%0.87975%0.749SS**  102.5134.7129.3-111.5175.9-177.3165.3-0.2121.3
428S37.2Very low38.7Very low100 Ų100140.4 Ų140.470%0.69975%0.745SS**  trans-82.5170.1171.549.40000113.9
429I41.7Very low38.8Very low159 Ų159143.2 Ų143.282%0.81575%0.747SS**  trans-167.9154132.9-104.1154.6000112.3
430P47.9Very low38.6Very low107 Ų107143.1 Ų143.170%0.69575%0.751SS**  trans-119.4-169.7-170.944.2-32.9000114
431S37.7Very low38.3Very low108 Ų108143.2 Ų143.276%0.75576%0.755SS**  trans-171.9159.7149.9-88.40000116.7
432N40Very low38Very low133 Ų133141.8 Ų141.871%0.71175%0.754SS**  trans78.1140.9158.4-65.6-15.3000121.3
433Q38.7Very low38Very low154 Ų154137.3 Ų137.372%0.7275%0.751SS**  cis-170.5174-30.9-128.6-174.987.500111.4
434I39.7Very low38Very low157 Ų157137.7 Ų137.781%0.80575%0.754SS**  trans75137.8164.7-64.2150.9000117
435S39.1Very low37.9Very low85 Ų85133.9 Ų133.959%0.59474%0.74SS**  cis-171144.6-23.4-178.90000111.8
436T37.2Very low38Very low133 Ų133133.1 Ų133.182%0.81674%0.737SS**  trans59.5149.6153400000120.3
437R37.9Very low37.6Very low208 Ų208132 Ų13279%0.78575%0.745SS**  cis-148.1154.9-0.9163.5175.1168.2-175.2-5.1109.6E439R437-E439 IonicContact CZ-OE1 2.67Å; R437-E439 IonicContact NE-OE1 2.65Å; R437-E439 IonicContact NH2-OE1 2.74Å; R437-E439 PolarHBondContact NH2-OE1 2.9Å
438S36.2Very low37.4Very low98 Ų98126.4 Ų126.469%0.68574%0.74SS**  trans-91.9156.9179.5540000114.8
439E39.6Very low37.3Very low158 Ų158130.2 Ų130.274%0.73875%0.746SS**  trans-166.4163.8133.8-102.5154.8-113.600109.8R437R437-E439 IonicContact CZ-OE1 2.67Å; R437-E439 IonicContact NE-OE1 2.65Å; R437-E439 IonicContact NH2-OE1 2.74Å; R437-E439 PolarHBondContact NH2-OE1 2.9Å
440S33.6Very low37.1Very low115 Ų115133.2 Ų133.280%0.80475%0.747SS**  trans-155.6126.4-161.757.80000115.8
441I35Very low36.6Very low170 Ų170133.8 Ų133.887%0.87275%0.749SS**  trans-174.2150.8168.6-109.4158000108.6
442C31.5Very low36.3Very low99 Ų99139.9 Ų139.967%0.66976%0.756SS**  cis-165.1165.9-30.7-121.80000111.5
443T36Very low36.1Very low117 Ų117139 Ų13972%0.71876%0.759SS**  trans36.9120.2152.753.90000122.7
444N34.8Very low35.8Very low137 Ų137142.7 Ų142.773%0.73377%0.766SS**  trans49.7151.3133.1-72.518.9000122.8
445S35.8Very low35.6Very low79 Ų79141.2 Ų141.255%0.55277%0.767SS**  cis-176.4150.9-22.452.50000110
446N37.8Very low35.4Very low140 Ų140144 Ų14475%0.74978%0.775SS**  trans73.4121.1165.2-52-19.3000117.8
447G35.2Very low35.4Very low82 Ų82143 Ų14385%0.84577%0.771SS**  trans171.4135.5174.500000108.9
448C32.5Very low35.4Very low116 Ų116142 Ų14278%0.78478%0.775SS**  trans-111168.8-167-160.40000113.5
449H36.3Very low35.4Very low179 Ų179144.7 Ų144.783%0.82978%0.782SS**  trans78.4138.4170.1-127.6-106.4000117.6
450R36.2Very low35.1Very low222 Ų222141.3 Ų141.384%0.83878%0.776SS**  trans-98.3120.4-178.2-63.7-178.2-172.2-130.51.1110.2
451T37.5Very low35.3Very low120 Ų120140.9 Ų140.974%0.73677%0.772SS**  trans-123.8131156.347.30000107.7
452W31.9Very low35.2Very low235 Ų235140.1 Ų140.189%0.8977%0.77SS**  trans-128.591175.7-87.880.9000109.5
453C36.1Very low35.5Very low115 Ų115143.5 Ų143.578%0.77778%0.78SS**  trans-87.6143.6169.7-60.90000110.1
454R31.6Very low35.6Very low232 Ų232146.6 Ų146.688%0.87579%0.786SS**  trans8.2124164.8-66.4-176.9174.5-166.5-1.2119.2
455P36.6Very low35.7Very low125 Ų125146.1 Ų146.181%0.81279%0.791SS**PPolyproline II helixtrans-70.7143138.5-6.224.6000110.3
456N35Very low35.9Very low145 Ų145150.3 Ų150.378%0.77581%0.806SS**PPolyproline II helixtrans-89.3143.4166.3-161.951.9000109.2
457P36.6Very low36.1Very low110 Ų110151.9 Ų151.971%0.71481%0.813SS**PPolyproline II helixtrans-99.6119.7-165.335.1-30.5000113.9
458E38.1Very low36.2Very low189 Ų189151.4 Ų151.488%0.88381%0.808SS**  trans-138.3149.5161.1-71.4-165.1172.500112.4
459N34.9Very low36.7Very low153 Ų153155.1 Ų155.182%0.81881%0.814SS**  trans76.1112.6169.1-115.4-12.1000121.9
460S34.5Very low37.1Very low88 Ų88155 Ų15562%0.61581%0.814SS**  trans63.489.5133.966.20000121.9
461S36.5Very low38.1Very low105 Ų105149.5 Ų149.573%0.73481%0.807SS**  60.7143.1121.864.60000122.6
462N34.6Very low38.7Very low155 Ų155147.6 Ų147.683%0.82980%0.804SS**  trans73.189.3172.4-65-42.1000117.4
463I37.4Very low40.2Very low170 Ų170144.2 Ų144.287%0.87280%0.803SS**  trans-163.5146.4131.2-97.8148.3000107.5
464Q37.9Very low41.4Very low182 Ų182145.8 Ų145.885%0.8580%0.802SS**  trans-78.8135.4177.6-72-176.1-19.500111.3L466Q464-L466 PolarHBondContact O-N 2.88Å
465P36.9Very low43.4Very low127 Ų127142.1 Ų142.183%0.82580%0.8SS**  trans-70.3113.6170.9-17.331.7000111.5
466L40.3Very low45.3Very low167 Ų167142.9 Ų142.987%0.87479%0.79SS**  trans-65.7142.9156.3-177.666.3000108.2Q464 G468Q464-L466 PolarHBondContact O-N 2.88Å; L466-G468 PolarHBondContact O-N 3.24Å
467L40.8Very low47.6Very low173 Ų173138.2 Ų138.291%0.90677%0.766SS**  trans-59.3110.4177.3-88.775.5000110.4
468G38.7Very low49.8Very low71 Ų71136.8 Ų136.873%0.73276%0.756SS**PPolyproline II helixtrans-92.5161.416900000111.6L466L466-G468 PolarHBondContact O-N 3.24Å
469E42.1Very low51.9Low195 Ų195135.2 Ų135.291%0.91175%0.747SS**PPolyproline II helixtrans-79.7138.1178.8-58.7-178.5132.700110.7
470E45Very low54.3Low175 Ų175135.4 Ų135.482%0.81874%0.736SS**PPolyproline II helixtrans-61.7126.9171-90.3-67.5151.700110.4A472E470-A472 PolarHBondContact O-N 3.03Å
471P57Low56.8Low108 Ų108136.1 Ų136.170%0.70173%0.73SS**PPolyproline II helixtrans-69130.6170.230.3-33.1000109.3D473P471-D473 PolarHBondContact O-N 3.23Å
472A51.3Low59.3Low80 Ų80134.6 Ų134.666%0.66172%0.719SS**PPolyproline II helixtrans-63.9136.3-179.600000111.9E470 I474E470-A472 PolarHBondContact O-N 3.03Å; A472-I474 WeakPolarHBondContact O-CG1 3.27Å; A472-I474 PolarHBondContact O-N 3.35Å
473D61.6Low61.9Low163 Ų163133.5 Ų133.587%0.87271%0.709SS**PPolyproline II helixtrans-56122165.3-86.2-48.8000110.2P471P471-D473 PolarHBondContact O-N 3.23Å
474I63.1Low64.4Low149 Ų149131 Ų13176%0.76469%0.693SS**  trans-114.9-13.2179.7-71.4163.1000111.5A472 F476A472-I474 WeakPolarHBondContact O-CG1 3.27Å; A472-I474 PolarHBondContact O-N 3.35Å; I474-F476 PolarHBondContact O-N 2.98Å
475D72.3Confident66.9Low155 Ų155123.7 Ų123.783%0.82967%0.667SS**  trans-77.819.9-178.4-74.8-10.3000114.3D477D475-D477 PolarHBondContact O-N 3.19Å; D475-D477 VanDerWaalsContact O-N 3.08Å
476F77.1Confident69.5Low140 Ų140122.7 Ų122.761%0.61465%0.654SS**  trans-73.499.3174.3-174-93.8000111.3I474 P478 E481I474-F476 PolarHBondContact O-N 2.98Å; F476-P478 HydrophobicContact CD1-CG 4.21Å; F476-P478 HydrophobicContact CE1-CB 4.29Å; F476-P478 HydrophobicContact CE1-CG 3.95Å; F476-P478 WeakPolarHBondContact O-CD 3.48Å; F476-E481 HydrophobicContact CE2-CB 4.18Å; F476-E481 HydrophobicContact CE2-CG 3.81Å; F476-E481 HydrophobicContact CZ-CB 4.3Å; F476-E481 HydrophobicContact CZ-CG 4.2Å
477D83.1Confident71.8Confident48 Ų48117.5 Ų117.526%0.25764%0.635SS.*  trans-97.3108.4174.3175.2-8.8000110.4D475 F479 R480 E481D475-D477 PolarHBondContact O-N 3.19Å; D475-D477 VanDerWaalsContact O-N 3.08Å; D477-F479 PolarHBondContact O-N 3.36Å; D477-F479 PolarHBondContact OD1-N 3.24Å; D477-R480 HydrophobicContact CB-CB 3.84Å; D477-R480 PolarHBondContact O-N 3.44Å; D477-R480 PolarHBondContact OD1-N 2.98Å; D477-R480 WeakPolarHBondContact OD2-CB 3.18Å; D477-R480 IonicContact OD2-CZ 2.61Å; D477-R480 VanDerWaalsContact OD2-CZ 3.31Å; D477-R480 IonicContact OD2-NE 3.05Å; D477-R480 PolarHBondContact OD2-NE 3.25Å; D477-R480 IonicContact OD2-NH2 2.86Å; D477-R480 PolarHBondContact OD2-NH2 3.41Å; D477-E481 WeakPolarHBondContact O-CB 3.35Å; D477-E481 PolarHBondContact O-N 2.89Å
478P82.6Confident74.1Confident79 Ų79115.9 Ų115.951%0.51362%0.623SS.*Hα-helixtrans-61.9-26.4-176.2-21.832.3000114.6F476 S482F476-P478 HydrophobicContact CD1-CG 4.21Å; F476-P478 HydrophobicContact CE1-CB 4.29Å; F476-P478 HydrophobicContact CE1-CG 3.95Å; F476-P478 WeakPolarHBondContact O-CD 3.48Å; P478-S482 WeakPolarHBondContact O-CB 3.47Å; P478-S482 PolarHBondContact O-N 3.4Å; P478-S482 PolarHBondContact O-OG 3.19Å
479F82.9Confident76.4Confident156 Ų156118.4 Ų118.468%0.68462%0.619SS**Hα-helixtrans-78-41.7179-78.4-81.2000111.1D477 S482 Q483D477-F479 PolarHBondContact O-N 3.36Å; D477-F479 PolarHBondContact OD1-N 3.24Å; F479-S482 PolarHBondContact O-N 2.92Å; F479-S482 PolarHBondContact O-OG 3.34Å; F479-S482 VanDerWaalsContact O-OG 3.13Å; F479-Q483 WeakPolarHBondContact O-CB 3.5Å; F479-Q483 VanDerWaalsContact O-CG 3.26Å; F479-Q483 WeakPolarHBondContact O-CG 3.2Å; F479-Q483 PolarHBondContact O-N 3.38Å
480R84.8Confident78.5Confident158 Ų158114.1 Ų114.160%0.59660%0.602SS**Hα-helixtrans-64.9-46.3176-168.9-175.4-41.7-151.30.8111.9D477 S482 Q483 Q484D477-R480 HydrophobicContact CB-CB 3.84Å; D477-R480 PolarHBondContact O-N 3.44Å; D477-R480 PolarHBondContact OD1-N 2.98Å; D477-R480 WeakPolarHBondContact OD2-CB 3.18Å; D477-R480 IonicContact OD2-CZ 2.61Å; D477-R480 VanDerWaalsContact OD2-CZ 3.31Å; D477-R480 IonicContact OD2-NE 3.05Å; D477-R480 PolarHBondContact OD2-NE 3.25Å; D477-R480 IonicContact OD2-NH2 2.86Å; D477-R480 PolarHBondContact OD2-NH2 3.41Å; R480-S482 VanDerWaalsContact C-N 3.33Å; R480-S482 PolarHBondContact O-N 3.36Å; R480-Q483 PolarHBondContact O-N 3.31Å; R480-Q484 WeakPolarHBondContact O-CB 3.38Å; R480-Q484 PolarHBondContact O-N 2.97Å
481E86.2Confident80.5Confident103 Ų103108.3 Ų108.348%0.48158%0.584SS.*Hα-helixtrans-62.5-40.7178.4-16174.7177.400111.6F476 D477 Q484 G485F476-E481 HydrophobicContact CE2-CB 4.18Å; F476-E481 HydrophobicContact CE2-CG 3.81Å; F476-E481 HydrophobicContact CZ-CB 4.3Å; F476-E481 HydrophobicContact CZ-CG 4.2Å; D477-E481 WeakPolarHBondContact O-CB 3.35Å; D477-E481 PolarHBondContact O-N 2.89Å; E481-Q484 PolarHBondContact O-N 3Å; E481-G485 PolarHBondContact O-N 2.91Å
482S89.7Confident81.9Confident72 Ų72105.7 Ų105.750%0.50357%0.571SS.*Hα-helixtrans-74-32.5177.655.70000113.5P478 F479 R480 L486P478-S482 WeakPolarHBondContact O-CB 3.47Å; P478-S482 PolarHBondContact O-N 3.4Å; P478-S482 PolarHBondContact O-OG 3.19Å; F479-S482 PolarHBondContact O-N 2.92Å; F479-S482 PolarHBondContact O-OG 3.34Å; F479-S482 VanDerWaalsContact O-OG 3.13Å; R480-S482 VanDerWaalsContact C-N 3.33Å; R480-S482 PolarHBondContact O-N 3.36Å; S482-L486 VanDerWaalsContact O-CB 3.28Å; S482-L486 WeakPolarHBondContact O-CB 3.17Å; S482-L486 PolarHBondContact O-N 3.43Å
483Q89.7Confident83.4Confident132 Ų132106.1 Ų106.162%0.61756%0.56SS**Hα-helixtrans-66.8-42.4169.8-75.8176.613.600111.7F479 R480 L486 A487F479-Q483 WeakPolarHBondContact O-CB 3.5Å; F479-Q483 VanDerWaalsContact O-CG 3.26Å; F479-Q483 WeakPolarHBondContact O-CG 3.2Å; F479-Q483 PolarHBondContact O-N 3.38Å; R480-Q483 PolarHBondContact O-N 3.31Å; Q483-L486 PolarHBondContact O-N 2.89Å; Q483-A487 WeakPolarHBondContact O-CB 3.5Å; Q483-A487 PolarHBondContact O-N 2.79Å
484Q89.6Confident84.4Confident118 Ų118103.1 Ų103.155%0.55155%0.547SS*.Hα-helixtrans-64.1-48.5176.9-177.6170.6-35.700111.3R480 E481 L486 A487 E488R480-Q484 WeakPolarHBondContact O-CB 3.38Å; R480-Q484 PolarHBondContact O-N 2.97Å; E481-Q484 PolarHBondContact O-N 3Å; Q484-L486 VanDerWaalsContact C-N 3.3Å; Q484-L486 PolarHBondContact O-N 3.44Å; Q484-A487 PolarHBondContact O-N 3.42Å; Q484-E488 WeakPolarHBondContact O-CB 3.47Å; Q484-E488 PolarHBondContact O-N 2.94Å
485G89.9Confident85.2Confident29 Ų29100.2 Ų100.230%0.29954%0.54SS..Hα-helixtrans-62.4-33.717600000113.6E481 L489E481-G485 PolarHBondContact O-N 2.91Å; G485-L489 WeakPolarHBondContact O-CB 3.5Å; G485-L489 VanDerWaalsContact O-CG 3.31Å; G485-L489 WeakPolarHBondContact O-CG 3.37Å; G485-L489 PolarHBondContact O-N 3.41Å
486L91.4Very high85.4Confident105 Ų105102.6 Ų102.655%0.5554%0.537SS..Hα-helixtrans-69.5-43.1172.6-179.862000111.9S482 Q483 Q484 E488 L489 L490S482-L486 VanDerWaalsContact O-CB 3.28Å; S482-L486 WeakPolarHBondContact O-CB 3.17Å; S482-L486 PolarHBondContact O-N 3.43Å; Q483-L486 PolarHBondContact O-N 2.89Å; Q484-L486 VanDerWaalsContact C-N 3.3Å; Q484-L486 PolarHBondContact O-N 3.44Å; L486-E488 VanDerWaalsContact C-N 3.35Å; L486-L489 PolarHBondContact O-N 2.99Å; L486-L490 HydrophobicContact CD1-CD1 4.32Å; L486-L490 HydrophobicContact CD1-CG 4.41Å; L486-L490 HydrophobicContact CG-CD1 4.12Å; L486-L490 WeakPolarHBondContact O-CB 3.37Å; L486-L490 VanDerWaalsContact O-CG 3.28Å; L486-L490 WeakPolarHBondContact O-CG 3.09Å; L486-L490 PolarHBondContact O-N 3.1Å
487A89.4Confident84.9Confident58 Ų58101.5 Ų101.548%0.47954%0.537SS..Hα-helixtrans-64.7-38.8177.100000111.9Q483 Q484 L490 A491Q483-A487 WeakPolarHBondContact O-CB 3.5Å; Q483-A487 PolarHBondContact O-N 2.79Å; Q484-A487 PolarHBondContact O-N 3.42Å; A487-L490 PolarHBondContact O-N 3.35Å; A487-A491 WeakPolarHBondContact O-CB 3.35Å; A487-A491 PolarHBondContact O-N 3.06Å
488E89Confident83.3Confident139 Ų139105.3 Ų105.365%0.6556%0.558SS**Hα-helixtrans-68.6-40.8176.2-170.1168.4-136.800111.8Q484 L486 A491 A492Q484-E488 WeakPolarHBondContact O-CB 3.47Å; Q484-E488 PolarHBondContact O-N 2.94Å; L486-E488 VanDerWaalsContact C-N 3.35Å; E488-A491 PolarHBondContact O-N 2.65Å; E488-A492 VanDerWaalsContact O-CB 3.31Å; E488-A492 WeakPolarHBondContact O-CB 3.38Å; E488-A492 PolarHBondContact O-N 2.65Å
489L85.9Confident81.6Confident124 Ų124107.7 Ų107.765%0.64957%0.57SS**Hα-helixtrans-61.6-42.8170.7-80.6167.9000112.4G485 L486 A492 E493G485-L489 WeakPolarHBondContact O-CB 3.5Å; G485-L489 VanDerWaalsContact O-CG 3.31Å; G485-L489 WeakPolarHBondContact O-CG 3.37Å; G485-L489 PolarHBondContact O-N 3.41Å; L486-L489 PolarHBondContact O-N 2.99Å; L489-A492 PolarHBondContact O-N 3.31Å; L489-E493 WeakPolarHBondContact O-CB 3.46Å; L489-E493 PolarHBondContact O-N 2.92Å
490L87.5Confident79.6Confident106 Ų106104.8 Ų104.856%0.55557%0.569SS**Hα-helixtrans-66.7-40176.5-72.4169.6000111.7L486 A487 E493 V494L486-L490 HydrophobicContact CD1-CD1 4.32Å; L486-L490 HydrophobicContact CD1-CG 4.41Å; L486-L490 HydrophobicContact CG-CD1 4.12Å; L486-L490 WeakPolarHBondContact O-CB 3.37Å; L486-L490 VanDerWaalsContact O-CG 3.28Å; L486-L490 WeakPolarHBondContact O-CG 3.09Å; L486-L490 PolarHBondContact O-N 3.1Å; A487-L490 PolarHBondContact O-N 3.35Å; L490-E493 PolarHBondContact O-N 3.06Å; L490-V494 WeakPolarHBondContact O-CB 3.41Å; L490-V494 VanDerWaalsContact O-CG2 3.29Å; L490-V494 WeakPolarHBondContact O-CG2 3.3Å; L490-V494 PolarHBondContact O-N 3.3Å
491A86.3Confident77.4Confident53 Ų53105.5 Ų105.544%0.43858%0.58SS.*Hα-helixtrans-65.5-39.6174.800000112A487 E488 S495A487-A491 WeakPolarHBondContact O-CB 3.35Å; A487-A491 PolarHBondContact O-N 3.06Å; E488-A491 PolarHBondContact O-N 2.65Å; A491-S495 VanDerWaalsContact O-CB 3.32Å; A491-S495 WeakPolarHBondContact O-CB 3.24Å; A491-S495 PolarHBondContact O-N 2.98Å; A491-S495 PolarHBondContact O-OG 3.33Å
492A86.5Confident75.1Confident52 Ų52106 Ų10643%0.4359%0.591SS.*Hα-helixtrans-65.2-42.3174.300000111.9E488 L489 S495 R496E488-A492 VanDerWaalsContact O-CB 3.31Å; E488-A492 WeakPolarHBondContact O-CB 3.38Å; E488-A492 PolarHBondContact O-N 2.65Å; L489-A492 PolarHBondContact O-N 3.31Å; A492-S495 CarbonylContact O-C 3.58Å; A492-S495 WeakPolarHBondContact O-CB 3.26Å; A492-S495 PolarHBondContact O-N 3.33Å; A492-R496 WeakPolarHBondContact O-CG 3.4Å; A492-R496 PolarHBondContact O-N 3.31Å
493E82.3Confident72.3Confident90 Ų90111.2 Ų111.242%0.42161%0.608SS.*Hα-helixtrans-72.4-37.3178.9-165.258-15300112L489 L490 S495 R496 L497L489-E493 WeakPolarHBondContact O-CB 3.46Å; L489-E493 PolarHBondContact O-N 2.92Å; L490-E493 PolarHBondContact O-N 3.06Å; E493-S495 VanDerWaalsContact C-N 3.28Å; E493-S495 PolarHBondContact O-N 3.3Å; E493-R496 CarbonylContact O-C 3.6Å; E493-R496 WeakPolarHBondContact O-CB 3.47Å; E493-R496 PolarHBondContact O-N 3.44Å; E493-R496 VanDerWaalsContact O-N 3.12Å; E493-L497 HydrophobicContact CG-CD1 3.99Å; E493-L497 HydrophobicContact CG-CG 4.3Å; E493-L497 WeakPolarHBondContact O-CB 3.32Å; E493-L497 WeakPolarHBondContact O-CG 3.37Å; E493-L497 PolarHBondContact O-N 3.14Å
494V83.7Confident69.6Low100 Ų100114.7 Ų114.761%0.60662%0.621SS**Hα-helixtrans-60.7-38.7168.61690000111.1L490 R496 L497 N498L490-V494 WeakPolarHBondContact O-CB 3.41Å; L490-V494 VanDerWaalsContact O-CG2 3.29Å; L490-V494 WeakPolarHBondContact O-CG2 3.3Å; L490-V494 PolarHBondContact O-N 3.3Å; V494-R496 VanDerWaalsContact C-N 3.3Å; V494-R496 PolarHBondContact O-N 3.3Å; V494-L497 CarbonylContact O-C 3.58Å; V494-L497 PolarHBondContact O-N 3.03Å; V494-N498 PolarHBondContact O-N 3.02Å
495S78.9Confident67Low88 Ų88113.9 Ų113.962%0.61563%0.629SS**Hα-helixtrans-69-26175.3-57.60000113.2A491 A492 E493 N498A491-S495 VanDerWaalsContact O-CB 3.32Å; A491-S495 WeakPolarHBondContact O-CB 3.24Å; A491-S495 PolarHBondContact O-N 2.98Å; A491-S495 PolarHBondContact O-OG 3.33Å; A492-S495 CarbonylContact O-C 3.58Å; A492-S495 WeakPolarHBondContact O-CB 3.26Å; A492-S495 PolarHBondContact O-N 3.33Å; E493-S495 VanDerWaalsContact C-N 3.28Å; E493-S495 PolarHBondContact O-N 3.3Å; S495-N498 WeakPolarHBondContact O-CB 3.4Å
496R76.5Confident64.4Low205 Ų205120.3 Ų120.377%0.77465%0.65SS**Hα-helixtrans-79.2-41.5170.5-76.3-165.765154.30.7112.5A492 E493 V494 N498A492-R496 WeakPolarHBondContact O-CG 3.4Å; A492-R496 PolarHBondContact O-N 3.31Å; E493-R496 CarbonylContact O-C 3.6Å; E493-R496 WeakPolarHBondContact O-CB 3.47Å; E493-R496 PolarHBondContact O-N 3.44Å; E493-R496 VanDerWaalsContact O-N 3.12Å; V494-R496 VanDerWaalsContact C-N 3.3Å; V494-R496 PolarHBondContact O-N 3.3Å; R496-N498 PolarHBondContact O-N 3.05Å; R496-N498 VanDerWaalsContact O-N 3.14Å
497L67.5Low61.5Low116 Ų116126.1 Ų126.161%0.60767%0.665SS**SBendtrans-82.431.3176.2-61.9177.4000111.6E493 V494 V499E493-L497 HydrophobicContact CG-CD1 3.99Å; E493-L497 HydrophobicContact CG-CG 4.3Å; E493-L497 WeakPolarHBondContact O-CB 3.32Å; E493-L497 WeakPolarHBondContact O-CG 3.37Å; E493-L497 PolarHBondContact O-N 3.14Å; V494-L497 CarbonylContact O-C 3.58Å; V494-L497 PolarHBondContact O-N 3.03Å; L497-V499 PolarHBondContact O-N 3.33Å
498N50Low58.9Low129 Ų129128.9 Ų128.969%0.6968%0.676SS**  trans-7562.1175.5-161.173.2000110.1V494 S495 R496 S500V494-N498 PolarHBondContact O-N 3.02Å; S495-N498 WeakPolarHBondContact O-CB 3.4Å; R496-N498 PolarHBondContact O-N 3.05Å; R496-N498 VanDerWaalsContact O-N 3.14Å; N498-S500 PolarHBondContact O-N 2.84Å
499V45.3Very low56.2Low128 Ų128127.5 Ų127.578%0.77668%0.68SS**  trans-54.5109.3165.3175.90000106L497 E501L497-V499 PolarHBondContact O-N 3.33Å; V499-E501 PolarHBondContact O-N 2.92Å; V499-E501 VanDerWaalsContact O-N 3.14Å
500S41.1Very low53.7Low96 Ų96128.9 Ų128.967%0.67169%0.687SS**  trans-52.6120.2-177.252.30000110.4N498N498-S500 PolarHBondContact O-N 2.84Å
501E39.2Very low51.2Low173 Ų173129.6 Ų129.681%0.80870%0.697SS**  trans-50.1130167.8-86.8-163.8124.500109.1V499 Q503V499-E501 PolarHBondContact O-N 2.92Å; V499-E501 VanDerWaalsContact O-N 3.14Å; E501-Q503 VanDerWaalsContact C-N 3.35Å; E501-Q503 PolarHBondContact O-N 2.72Å
502P37Very low48.7Very low112 Ų112134.9 Ų134.973%0.72772%0.717SS**  trans-69.396.2172.328.5-32.5000108.5F504P502-F504 PolarHBondContact O-N 3.04Å
503Q32.6Very low46.1Very low183 Ų183135.8 Ų135.886%0.85573%0.732SS**  trans-62.578.4175.8-73.3-169.1-29.800111.9E501 S505E501-Q503 VanDerWaalsContact C-N 3.35Å; E501-Q503 PolarHBondContact O-N 2.72Å; Q503-S505 PolarHBondContact O-N 3.07Å
504F31.5Very low43.7Very low205 Ų205137 Ų13790%0.89975%0.75SS**  trans-77.972.7167.1-103-80.2000110.3P502 H506P502-F504 PolarHBondContact O-N 3.04Å; F504-H506 PolarHBondContact O-N 3.42Å
505S35.4Very low41.5Very low100 Ų100137.2 Ų137.270%0.69976%0.756SS**  trans-73.1124179.2-167.10000111.5Q503Q503-S505 PolarHBondContact O-N 3.07Å
506H34.9Very low39.3Very low164 Ų164140.1 Ų140.176%0.75977%0.77SS**  trans47.8112.5154.5-102.9-110.6000119.5F504F504-H506 PolarHBondContact O-N 3.42Å
507R30.8Very low37.3Very low228 Ų228133.4 Ų133.486%0.8676%0.764SS**  -155.8125104.1-111.5-179.2-171.7-138.21.7112.8
508V36.1Very low35.5Very low115 Ų115136 Ų13670%0.69778%0.777SS**  trans-88.9128.3162.5175.10000108.1
509C32.1Very low34.7Very low111 Ų111135 Ų13575%0.7578%0.78SS**  trans-130.8128.5155.3-76.50000108.2
510L32.7Very low34.1Very low152 Ų152137.5 Ų137.580%0.79678%0.783SS**  trans-91.8-173.7170.5-78.4164.2000110.1
511T35.9Very low33.5Very low122 Ų122138.6 Ų138.675%0.74879%0.789SS**  trans71.697.2171.669.70000117.8
512N32.2Very low33Very low164 Ų164135 Ų13588%0.87778%0.783SS**  52.8119127-55.90.2000120.9
513G32.2Very low32.7Very low71 Ų71135.6 Ų135.673%0.73279%0.79SS**  102.488.7128.900000118.3
514S33.2Very low32.7Very low116 Ų116135.6 Ų135.681%0.81179%0.79SS**  trans63.7139155.2-65.50000120.8
515S35.7Very low32.9Very low103 Ų103130.7 Ų130.772%0.7278%0.779SS**  trans56.9112.9146.158.50000121.7
516V34.5Very low32.9Very low150 Ų150135.1 Ų135.191%0.90979%0.789SS**  trans67.2128.2131-175.90000119.4
517G33.3Very low32.7Very low64 Ų64131.9 Ų131.966%0.6678%0.784SS**  trans91.4130.7176.100000111.7
518I29.5Very low33.1Very low170 Ų170127.2 Ų127.287%0.87279%0.787SS**  cis63.778.323.5-41.5-179.9000113.7
519S34.3Very low33.1Very low107 Ų107125.1 Ų125.175%0.74879%0.788SS**  176.7132121.5430000115.2
520H31.4Very low33.3Very low182 Ų182127.2 Ų127.284%0.84379%0.791SS**  trans60.7166.6141.6-85.7-91.3000124.5
521C29.9Very low33.3Very low119 Ų119126.3 Ų126.380%0.80479%0.787SS**  trans78.6146.6174-620000117.4
522S28.4Very low33.3Very low98 Ų98126 Ų12669%0.68579%0.785SS**  cis147.4148.7-25.6-87.40000108.6
523S30.8Very low33.4Very low124 Ų124128.7 Ų128.787%0.86778%0.783SS**  trans65.1159.2-179.871.80000115.1
524E32.4Very low33.5Very low183 Ų183132.9 Ų132.986%0.85579%0.787SS**  cis-131.8175.715.3-95.7-157.2104.900114.5
525P34.4Very low33.5Very low102 Ų102133 Ų13366%0.66279%0.785SS**  trans-121.3159.7-158.642-31.2000118
526Q36.4Very low33.4Very low193 Ų193135.8 Ų135.890%0.90279%0.787SS**  trans-145.8126.2147.2-62.9-174.3-1.800107.3
527S31.1Very low33.3Very low95 Ų95133.1 Ų133.166%0.66478%0.781SS**  cis102.4123.313.185.20000115.1
528S38.8Very low33.1Very low131 Ų131136.8 Ų136.892%0.91679%0.785SS**  trans65141.3-169.473.50000115
529G35.2Very low33.3Very low70 Ų70136.2 Ų136.272%0.72278%0.783SS**  cis150.3147.3-3.500000110.2
530L36.7Very low33Very low156 Ų156136.1 Ų136.182%0.81778%0.782SS**  cis-152.9155.80.1-84.9163.7000109.3
531D32.4Very low32.9Very low132 Ų132134.4 Ų134.471%0.70678%0.779SS**  trans43.6139.8151.2-66.2-53.8000121.6
532T37.6Very low33Very low116 Ų116134.9 Ų134.971%0.71277%0.773SS**  -160.7121.554.4-54.40000114.4
533R33.9Very low33.1Very low221 Ų221135.5 Ų135.583%0.83478%0.778SS**  trans57108.1151.3-63.1174.7179.5-134.9-4122.1
534L33.3Very low33.2Very low158 Ų158133.1 Ų133.183%0.82777%0.765SS**  26.9156.4107-9171.9000121.2
535P34.2Very low33.3Very low118 Ų118132.9 Ų132.977%0.76676%0.764SS**  cis-129.1167.814.136.1-17.9000117.3
536Q32.4Very low33.1Very low162 Ų162131.5 Ų131.576%0.75776%0.762SS**  trans-70.8154.5172.4-61.4158.5-93.600112.7
537A33.3Very low33Very low94 Ų94129.3 Ų129.378%0.77775%0.751SS**  trans-125.4102.9149.700000109.1L539A537-L539 PolarHBondContact O-N 3.39Å
538N29.6Very low33.3Very low141 Ų141134 Ų13475%0.75476%0.76SS**  trans-72.4118.5164.5-95-30.4000108.1
539L32.3Very low33.1Very low159 Ų159135.5 Ų135.583%0.83276%0.757SS**  trans-129.6101.2163.6-75.3178.3000110.3A537A537-L539 PolarHBondContact O-N 3.39Å
540S29.1Very low33Very low104 Ų104141.6 Ų141.673%0.72776%0.758SS**  trans-60.3-174146.9-51.50000110.2
541L28.7Very low32.8Very low147 Ų147139.1 Ų139.177%0.7775%0.754SS**  trans85.6137.9-170-66.768000112
542N32.2Very low32.7Very low129 Ų129144.3 Ų144.369%0.6976%0.763SS**  cis-147.9150.8-2-119.7-10.2000114.1A544N542-A544 VanDerWaalsContact C-N 3.34Å; N542-A544 PolarHBondContact O-N 2.86Å
543S29.9Very low32.3Very low111 Ų111149.2 Ų149.278%0.77677%0.771SS**THydrogen-bonded Turntrans-7381.217352.80000111.3
544A33.6Very low32Very low73 Ų73143.5 Ų143.560%0.60376%0.764SS**THydrogen-bonded Turntrans-147.5-14.4174.600000114.8N542N542-A544 VanDerWaalsContact C-N 3.34Å; N542-A544 PolarHBondContact O-N 2.86Å
545Q33.8Very low31.9Very low179 Ų179144.3 Ų144.384%0.83677%0.769SS**SBendtrans-114.2-9.6-176.8-69.1-179.7-20.600114E547Q545-E547 VanDerWaalsContact C-N 3.29Å; Q545-E547 PolarHBondContact O-N 2.8Å
546A31.1Very low31.6Very low73 Ų73146.6 Ų146.660%0.60377%0.773SS**SBendtrans-78.4-7.3177.800000114.4
547E34Very low31.4Very low146 Ų146145.4 Ų145.468%0.68278%0.777SS**SBendtrans-89.4-23.4-170.7-61.9-173.6130.100113.4Q545 L549 R550Q545-E547 VanDerWaalsContact C-N 3.29Å; Q545-E547 PolarHBondContact O-N 2.8Å; E547-L549 PolarHBondContact O-N 3.08Å; E547-R550 PolarHBondContact O-N 3.25Å
548K36.4Very low31.2Very low195 Ų195145.8 Ų145.885%0.84877%0.774SS**THydrogen-bonded Turntrans-75.2-3.9-179.1-127.6176.6-174.6178.90114.8
549L35.1Very low31.2Very low162 Ų162147.2 Ų147.285%0.84878%0.776SS**THydrogen-bonded Turntrans-117.32.5174.2-67.2173.5000113.1E547E547-L549 PolarHBondContact O-N 3.08Å
550R32.6Very low31.2Very low197 Ų197147.7 Ų147.774%0.74378%0.779SS**THydrogen-bonded Turntrans-100.1-8.7177.3-84.8-170.9167.3-142.4-3.8114.7E547 W552E547-R550 PolarHBondContact O-N 3.25Å; R550-W552 VanDerWaalsContact C-N 3.25Å; R550-W552 PolarHBondContact O-N 2.69Å
551S33.9Very low31.1Very low105 Ų105154 Ų15473%0.73479%0.787SS**THydrogen-bonded Turntrans-73.6-7.3-179.352.30000115.2
552W29.8Very low31.3Very low240 Ų240151.7 Ų151.791%0.90978%0.783SS**THydrogen-bonded Turntrans-104.3-6.9-176.9-149.124.9000114.4R550R550-W552 VanDerWaalsContact C-N 3.25Å; R550-W552 PolarHBondContact O-N 2.69Å
553Y28.8Very low31.3Very low220 Ų220152.9 Ų152.986%0.86379%0.789SS**SBendtrans-124.450.9-174.1-105.6-87.9000112.9
554S28Very low31.3Very low101 Ų101155.3 Ų155.371%0.70679%0.788SS**  trans-15281.3174.5-71.60000111.5
555N30.5Very low31.3Very low174 Ų174156.8 Ų156.893%0.9379%0.79SS**  trans-164.933.3167-104.9-23.3000114
556I27.5Very low31.3Very low166 Ų166154.2 Ų154.285%0.85178%0.782SS**  trans-122.1144168-58.9177.7000106.6
557V28.2Very low31.3Very low137 Ų137157.3 Ų157.383%0.8379%0.787SS**SBendtrans83.782.5-164.9-171.30000114.1
558S28.9Very low31Very low102 Ų102156.8 Ų156.871%0.71379%0.789SS**  trans-177.1159.7131.5-80.90000111.1
559H31.4Very low30.8Very low172 Ų172156.8 Ų156.880%0.79679%0.789SS**  trans56.290.6172.4-58.2-77.3000118.2
560N31.3Very low30.5Very low168 Ų168154 Ų15490%0.89878%0.783SS**  -159.5139.592.9-103.7-36.8000112.4
561R27.5Very low30.5Very low237 Ų237154.1 Ų154.189%0.89479%0.79SS**  trans-151.387.9-176-173.6-167-176-147.32.4111.4
562S33Very low30.3Very low99 Ų99155.9 Ų155.969%0.69279%0.791SS**  trans-172.4121.8151.1-850000111.4
563N32.7Very low30.4Very low153 Ų153151.2 Ų151.282%0.81879%0.788SS**  56.5146.7126.6-50.3-10.4000121
564H30Very low30.5Very low163 Ų163145.7 Ų145.776%0.75578%0.782SS**  cis179.1146-16.3178.9-116.4000107.9
565V33.1Very low30.7Very low104 Ų104146.2 Ų146.263%0.6378%0.783SS**  trans66.9147.3163.1139.10000116.6
566D34.2Very low30.9Very low125 Ų125145.5 Ų145.567%0.66878%0.779SS**  cis-140.3142.9-15.3-102.4-36.1000106.3
567L29.4Very low31.1Very low138 Ų138144.2 Ų144.272%0.72378%0.779SS**  89110.854.6-156.484.5000114.5
568N28Very low31.2Very low135 Ų135147.6 Ų147.672%0.72278%0.783SS**  trans52.9111.1155.2-64.3-15.6000121.3
569K33.5Very low31.5Very low194 Ų194147.4 Ų147.484%0.84378%0.782SS**  -150.9111122.3-148.2166.6-170.3172.60113.6
570S28Very low31.6Very low103 Ų103146 Ų14672%0.7278%0.78SS**  trans-82.4144.9171.8-440000111
571F33.5Very low31.8Very low201 Ų201146.2 Ų146.288%0.88278%0.78SS**  trans-138.3149.4150.5-103.9-80.2000109.8
572N28.4Very low32.3Very low142 Ų142145.5 Ų145.576%0.75978%0.779SS**  trans-138.9126.1-160.9-1786.4000109
573V32.7Very low33Very low141 Ų141145.8 Ų145.886%0.85578%0.778SS**  trans-139.8136.5174.5-176.90000108.8
574S30.9Very low33.4Very low104 Ų104144.3 Ų144.373%0.72778%0.778SS**  trans-78.4155.8-157.5-48.90000116
575P32.5Very low33.9Very low113 Ų113142.9 Ų142.973%0.73478%0.783SS**  trans-80.9155.6168.635.1-35.9000112.2
576N33.3Very low34Very low159 Ų159141.9 Ų141.985%0.8579%0.793SS**  trans179.7126.8140.6-99-23.8000112.4
577T33.4Very low34.1Very low138 Ų138145.2 Ų145.285%0.84780%0.802SS**  172.3114.3127.8-70.10000109
578F29.3Very low34.7Very low208 Ų208148.1 Ų148.191%0.91281%0.812SS**  trans-102.9131.8173.6-106.4-93.8000110.1
579S34.8Very low35.2Very low98 Ų98149.5 Ų149.569%0.68581%0.814SS**  trans176.5134.4164.2-81.90000108.3
580N33.4Very low35.3Very low144 Ų144144.5 Ų144.577%0.7781%0.809SS**  cis-142.4146-7.2-79.2-49000108.5
581L36.4Very low35.6Very low172 Ų172147.9 Ų147.990%0.90182%0.817SS**  trans-124.1119.7168.5-90.3166.2000109.2
582Y37.5Very low35.5Very low222 Ų222147.3 Ų147.387%0.87182%0.817SS**PPolyproline II helixtrans-84.4127.6174.3-108.2-94.7000109.8
583P47.8Very low35.7Very low104 Ų104145.3 Ų145.368%0.67582%0.82SS**PPolyproline II helixtrans-79.6149.8168.333.1-33.3000111
584P42.2Very low35.8Very low123 Ų123146.9 Ų146.980%0.79982%0.818SS**PPolyproline II helixtrans-73.2137.9167.230.8-32.8000110.6
585P40.4Very low36.1Very low133 Ų133147.1 Ų147.186%0.86481%0.811SS**PPolyproline II helixtrans-79.8152179.133-35.4000112
586G34.5Very low36.3Very low82 Ų82149.5 Ų149.585%0.84581%0.812SS**  trans164.4-3.9169.300000119.8
587F37.2Very low36.4Very low195 Ų195147.3 Ų147.386%0.85581%0.81SS**  trans-148.2109.6-177.7142.8-105.7000111.8
588E40.4Very low36.8Very low199 Ų199145.5 Ų145.593%0.9380%0.8SS**  trans-146.4118.7160-74-172.1123.500106.7
589E39.2Very low37.2Very low165 Ų165143.2 Ų143.277%0.77180%0.797SS**  trans-144.1143.1166.7-151.6167.1-143.800109.3
590A36.1Very low37.3Very low88 Ų88141.8 Ų141.873%0.72780%0.798SS**  trans-95.6151.1-150.200000115
591I33.5Very low37.6Very low174 Ų174142.8 Ų142.889%0.89280%0.798SS**  trans-117.7129.2155.7-63.2-178.2000108.1
592Q31.8Very low37.5Very low189 Ų189143 Ų14388%0.88379%0.793SS**  trans-86.4148.3-170.6-62.5164.1-37.300112.5
593A33.4Very low37.2Very low101 Ų101139 Ų13984%0.83579%0.785SS**  trans-146.7145.4154.600000109.8
594H34.3Very low36.5Very low174 Ų174139.5 Ų139.581%0.80679%0.786SS**  trans-33.8149.7176.3-91.7-107.9000115.8
595D36Very low36.2Very low109 Ų109138.6 Ų138.658%0.58378%0.783SS**  cis-160.4172.544.1-136.4-16.5000115.8
596Q37.2Very low36Very low162 Ų162141 Ų14176%0.75778%0.78SS**  trans3.1146.5157-68159.175.100120.5
597S36.3Very low36Very low114 Ų114142.7 Ų142.780%0.79777%0.774SS**  cis-164.7169.14.1-139.70000109.9
598P40.9Very low36Very low100 Ų100139.8 Ų139.865%0.64977%0.767SS**  trans-108.7170.3-162.241.3-36.4000118.1
599D38.7Very low35.8Very low159 Ų159136.8 Ų136.885%0.8576%0.756SS**  145.2148.9128.2-80.1-30000117.2
600G37.2Very low35.7Very low68 Ų68135.8 Ų135.870%0.70176%0.756SS**  trans86.5104.9172.500000115.4
601Q39Very low35.7Very low166 Ų166138.4 Ų138.478%0.77676%0.757SS**  cis80.9133.443.8-58.4-166.11.200116.8
602F33.5Very low35.8Very low177 Ų177133.9 Ų133.978%0.77674%0.741SS**  trans63161.6172.4-63.1-87.1000117.7
603L32.3Very low36Very low138 Ų138131.5 Ų131.572%0.72373%0.734SS**  -168.3165.4-56.3-118.1174.5000107.9
604T33.5Very low36.1Very low113 Ų113137 Ų13769%0.69374%0.735SS**  trans55.293.3159.151.80000121.2
605S34.5Very low36.3Very low105 Ų105134.2 Ų134.273%0.73473%0.732SS**  74142.9114.174.50000124.5
606K36.7Very low36Very low183 Ų183136.3 Ų136.380%0.79674%0.739SS**  trans87.6128.9145.2-88.3-172.7175-175.70121.3
607T35.2Very low35.7Very low117 Ų117137 Ų13772%0.71875%0.747SS**  trans67.2145.1147.645.80000117.6
608D35.7Very low35.3Very low134 Ų134135.3 Ų135.372%0.71774%0.735SS**  cis-160.2177.88.8-134.1-35.5000114.4
609I36.2Very low35Very low136 Ų136141.7 Ų141.770%0.69775%0.748SS**  trans76.4113.8152.9-68.7157.4000120.4
610L38.4Very low34.6Very low145 Ų145139.8 Ų139.876%0.75975%0.747SS**  trans34.7137.9135-51.4173.1000119.9
611N35.1Very low34.2Very low143 Ų143141.8 Ų141.877%0.76575%0.749SS**  cis-165-173.116.9-133.3-16.4000109.2
612S36.2Very low34.1Very low78 Ų78139.8 Ų139.855%0.54575%0.75SS.*  cis-167165.90.946.70000110.4
613N35.5Very low34Very low139 Ų139139.6 Ų139.674%0.74375%0.752SS**  trans57.493.4157.5-57.1-14.9000117.7
614Y35.4Very low34Very low216 Ų216137.5 Ų137.585%0.84775%0.749SS**  69.1148.761.4-78.7-93.4000116.7
615P38.3Very low34Very low116 Ų116142.1 Ų142.175%0.75376%0.759SS**  cis-128.61605.339.2-23.6000117.8
616E29.8Very low33.9Very low154 Ų154140.8 Ų140.872%0.7276%0.762SS**  trans-82.3165.8159.4-68.5-177.291.100112.5
617L32Very low33.6Very low176 Ų176142.8 Ų142.892%0.92177%0.766SS**  trans-138120140.5-84.5-179.1000111.3
618S28.4Very low33.5Very low79 Ų79143.4 Ų143.455%0.55277%0.766SS**  trans-125.7156.3162.558.30000108.2
619Y33.3Very low33.4Very low233 Ų233143.2 Ų143.291%0.91476%0.764SS**  trans-173170.3153.8-100.4-58.1000111.5
620S31.5Very low33.3Very low119 Ų119143 Ų14383%0.83277%0.765SS**  trans-124.9177.4-167-55.30000114
621C28.4Very low33Very low111 Ų111142.3 Ų142.375%0.7576%0.762SS**  trans-61.2163-178.7-148.50000113.8
622P36.1Very low32.9Very low123 Ų123142.7 Ų142.780%0.79976%0.763SS**  -145-166.990.540.5-23.8000115.1
623E31.4Very low32.7Very low174 Ų174150.1 Ų150.181%0.81378%0.779SS**  trans-101.7164.6-159.5-51.916993.400116.9
624S33.1Very low32.6Very low93 Ų93148.3 Ų148.365%0.6578%0.777SS**  trans97.7145.113379.10000122.8
625F32.3Very low32.7Very low210 Ų210144.1 Ų144.192%0.92178%0.775SS**  trans64.9137.2163.7-60.7-71.6000122.2
626G32.5Very low32.7Very low77 Ų77146 Ų14679%0.79478%0.778SS**  trans137.497.8150.200000117.3
627Y30.6Very low33Very low225 Ų225141.9 Ų141.988%0.88278%0.777SS**  trans-77.8127.3163.4-85.7-107.2000110.8
628N34Very low33.1Very low131 Ų131138.9 Ų138.970%0.70177%0.771SS**  171.7136.7103.8-101.4-55000115.4
629N32.4Very low33.6Very low129 Ų129142.3 Ų142.369%0.6978%0.782SS**  trans17.6136.7140.1-70.5-39.4000123
630N35.4Very low33.5Very low133 Ų133137.4 Ų137.471%0.71177%0.771SS**  trans92.8116138.9-67.2-14.5000122.2
631N32.3Very low33.6Very low130 Ų130138.7 Ų138.770%0.69576%0.764SS**  trans82.4108.6131.5-68.1-21.6000122.3
632L31.3Very low33.8Very low151 Ų151137.3 Ų137.379%0.79176%0.755SS**  trans69.7154.6140.5-80.766.3000116.8
633R32Very low33.6Very low233 Ų233137.5 Ų137.588%0.87976%0.758SS**  cis-147.9164.819.7-153172178.2-152.4-0.1114.3
634S33.8Very low33.6Very low101 Ų101132.6 Ų132.671%0.70675%0.747SS**  trans-70.8155.5-168.9-24.40000118.9
635T38.8Very low33.4Very low129 Ų129137.9 Ų137.979%0.79176%0.759SS**  trans-160.2150.613846.60000109.4
636N36.5Very low33.5Very low156 Ų156133.7 Ų133.783%0.83475%0.753SS**  cis-167.5157.1-25.3-102.8-9.4000109.3
637G36.6Very low33.2Very low66 Ų66135.6 Ų135.668%0.6875%0.752SS**  trans101.6106.217400000113.6
638S35.5Very low33.1Very low114 Ų114130.8 Ų130.880%0.79775%0.752SS**  74.5123.771.1-64.90000112.4
639L37.1Very low33.1Very low150 Ų150132 Ų13279%0.78576%0.758SS**  cis-127.1143.314.8-68.1161.9000109.6
640L32.3Very low33Very low130 Ų130132.1 Ų132.168%0.68177%0.766SS**  57.7138.572.6-62.5177.4000113.5
641Q33.5Very low32.7Very low147 Ų147130.6 Ų130.669%0.68777%0.765SS**  cis-152.8123.528.3-169.979.350.300112.8
642S32Very low32.6Very low82 Ų82131.5 Ų131.557%0.57378%0.775SS**  trans46.9164.6136-450000122
643C32.4Very low32.4Very low126 Ų126133 Ų13385%0.85178%0.779SS**  cis-146.7174.820.2-51.20000112.2
644A30.8Very low32.5Very low72 Ų72127.6 Ų127.660%0.59578%0.777SS**  175.9106.4-5400000111.1
645F29.9Very low32.3Very low204 Ų204126.9 Ų126.990%0.89577%0.768SS**  trans62.8171.9159.7-61.1-68.7000118.2
646P34Very low31.9Very low121 Ų121130.3 Ų130.379%0.78678%0.775SS**  cis-120.4178.5-4.840.3-26.1000115.1
647C25.8Very low31.7Very low117 Ų117130.2 Ų130.279%0.79177%0.767SS**  trans-81.7152.3173.5-520000113
648S29.7Very low31.3Very low125 Ų125135.3 Ų135.387%0.87478%0.778SS**  trans-163.3140.5144.2-81.80000111.6
649L33Very low31Very low156 Ų156136.9 Ų136.982%0.81778%0.775SS**  trans-84.7157.1164.5-104.877.7000109.2
650P30.8Very low30.6Very low132 Ų132136 Ų13686%0.85778%0.775SS**  -143.1165.391.338.1-22.9000115.3
651S28.9Very low30.4Very low101 Ų101135.7 Ų135.771%0.70678%0.775SS**  trans-115.5146.1172.653.90000110.7
652T29.8Very low30.3Very low148 Ų148130.8 Ų130.891%0.90876%0.757SS**  trans-138.5141.4161.438.50000111.2
653E27.7Very low30.5Very low183 Ų183131.5 Ų131.586%0.85576%0.759SS**  trans-91.2156.5170.4-63.3170.593.300110.4
654S33.2Very low30.4Very low120 Ų120128.9 Ų128.984%0.83974%0.739SS**  trans-140.7147.9133.2680000109.4
655T29.9Very low30.4Very low86 Ų86134.9 Ų134.953%0.52875%0.748SS.*  trans-155.5128.4-174.4-74.10000108.7K657T655-K657 HydrophobicContact CG2-CD 4.04Å; T655-K657 HydrophobicContact CG2-CG 3.88Å
656E31.5Very low30.5Very low200 Ų200130.2 Ų130.294%0.93573%0.732SS**  trans-124.1145.8161.1-67.6-153.5122.500111.1
657K31Very low30.4Very low154 Ų154130.9 Ų130.967%0.6773%0.729SS**  trans-145142.5-170.4-66.5161.8178146.30109.2T655T655-K657 HydrophobicContact CG2-CD 4.04Å; T655-K657 HydrophobicContact CG2-CG 3.88Å
658L28.9Very low30.5Very low174 Ų174135.1 Ų135.191%0.91173%0.729SS**  trans-166.3126.8151.7-95.1133000107.2
659M28.1Very low30.6Very low147 Ų147134.6 Ų134.672%0.72472%0.715SS**  cis111.98717.5-75.1-167.3162.900115.5
660T30.4Very low30.6Very low130 Ų130134.8 Ų134.880%0.79871%0.712SS**  trans70.9172.9152.775.80000118.9
661N27.2Very low30.7Very low125 Ų125132.1 Ų132.167%0.66870%0.7SS**  cis-153.1-157.49-145.1-41.7000114.6T809N661-T809 PolarHBondContact O-OG1 3.08Å
662S30.5Very low31Very low44 Ų44136.7 Ų136.731%0.30871%0.708SS.*  trans-117.5-163.6-178.5-49.60000112.3T809 F810S662-T809 WeakPolarHBondContact OG-CB 3.42Å; S662-T809 WeakPolarHBondContact OG-CG2 3.33Å; S662-F810 VanDerWaalsContact CB-C 3.49Å; S662-F810 WeakPolarHBondContact OG-CB 3.38Å; S662-F810 PolarHBondContact OG-N 3.01Å; S662-F810 VanDerWaalsContact OG-N 3.08Å
663P36.4Very low31.2Very low97 Ų97136.5 Ų136.563%0.6369%0.694SS**  cis-149-166.4946.7-24.2000118.3F810P663-F810 WeakPolarHBondContact CA-O 3.42Å; P663-F810 WeakPolarHBondContact CB-O 3.47Å
664T31.7Very low31.5Very low71 Ų71133.1 Ų133.144%0.43669%0.686SS.*  cis-149.8158.2-20.2-19.60000114.5F810 G811 K812T664-F810 WeakPolarHBondContact CA-O 3.35Å; T664-F810 WeakPolarHBondContact CG2-O 3.44Å; T664-G811 WeakPolarHBondContact OG1-CA 3.16Å; T664-K812 PolarHBondContact OG1-N 3.11Å; T664-K812 VanDerWaalsContact OG1-N 3.11Å
665Y31Very low31.8Very low198 Ų198131.7 Ų131.778%0.77668%0.676SS**  trans57.2152.4140.7-123.4-134.8000124.5
666D30.6Very low32Very low106 Ų106133.3 Ų133.357%0.56768%0.677SS**  trans65.1119.6154.4-90.3-12.8000122.7
667N33Very low32.4Very low134 Ų134132.1 Ų132.172%0.71767%0.672SS**  trans43.7125.6131.8-53.2-37.2000121.3
668W27.4Very low32.6Very low207 Ų207132 Ų13278%0.78468%0.678SS**  173.7119.394.6178.5-88.5000113.8
669I31.8Very low32.8Very low113 Ų113127.6 Ų127.658%0.57967%0.667SS**  trans20.9126138.1-55.5170.5000117.1
670Q33.4Very low33.1Very low161 Ų161127.2 Ų127.275%0.75267%0.667SS**  174.1153.283.6-147.416293.600114.8
671A33.1Very low33.3Very low75 Ų75131 Ų13162%0.6267%0.668SS**  trans64.3153150.800000120
672K33.5Very low33.5Very low197 Ų197129 Ų12986%0.85766%0.664SS**  cis-172.1172.5-4-97.9160.6-168.9166.40106.5
673K34.6Very low33.6Very low145 Ų145133.7 Ų133.763%0.6369%0.685SS**  cis-177.4169.3-28.9-167.9-151.1166.2-74.90106.8E676K673-E676 IonicContact NZ-OE1 2.99Å; K673-E676 PolarHBondContact NZ-OE1 3.03Å; K673-E676 IonicContact NZ-OE2 2.75Å; K673-E676 PolarHBondContact NZ-OE2 3.29Å
674V35.1Very low33.5Very low111 Ų111134.9 Ų134.967%0.67369%0.691SS**  trans83.4136.9170.4-174.80000114E676V674-E676 VanDerWaalsContact CA-OE2 3.32Å; V674-E676 WeakPolarHBondContact CA-OE2 3.29Å; V674-E676 PolarHBondContact N-OE2 3.25Å
675S37.9Very low33.8Very low91 Ų91139.7 Ų139.764%0.63671%0.713SS**  cis-134.9160.8-3.9-1310000109.8
676E35.5Very low34Very low119 Ų119140 Ų14056%0.55672%0.719SS**  cis83.177.19.5-51.11577000116.7K673 V674K673-E676 IonicContact NZ-OE1 2.99Å; K673-E676 PolarHBondContact NZ-OE1 3.03Å; K673-E676 IonicContact NZ-OE2 2.75Å; K673-E676 PolarHBondContact NZ-OE2 3.29Å; V674-E676 VanDerWaalsContact CA-OE2 3.32Å; V674-E676 WeakPolarHBondContact CA-OE2 3.29Å; V674-E676 PolarHBondContact N-OE2 3.25Å
677H39.8Very low34.3Very low176 Ų176140.3 Ų140.382%0.81573%0.727SS**  trans-179.4129.1147.2-96.8-74.8000109.6
678N34.5Very low34.4Very low151 Ų151139.4 Ų139.481%0.80773%0.731SS**  cis86.2149.338.8-77.1-5.5000115.2
679A34.2Very low34.8Very low82 Ų82137.1 Ų137.168%0.67873%0.732SS**  cis-177.4-173.9-20.300000107.9
680I33.1Very low35Very low139 Ų139137.5 Ų137.571%0.71374%0.742SS**  cis-167.6157.91.5-138.6168.6000111.3
681Y34Very low35Very low208 Ų208134.2 Ų134.282%0.81674%0.742SS**  trans63171.4160.3-79.4-149.9000120.1
682S32.5Very low35.1Very low85 Ų85137.8 Ų137.859%0.59476%0.756SS**  cis-171.4154.6-38.1-86.70000113.1
683D33.4Very low35Very low141 Ų141135.7 Ų135.775%0.75475%0.754SS**  trans73.8130.2142.9-82-46.3000127
684T33.7Very low35.1Very low123 Ų123134.2 Ų134.276%0.75576%0.759SS**  trans87.1148.7143.960.90000125.1
685L36.9Very low34.8Very low171 Ų171135.6 Ų135.690%0.89576%0.763SS**  trans96116.5161.3-54-176.8000120.7
686F35.9Very low34.5Very low205 Ų205139.1 Ų139.190%0.89977%0.773SS**  trans-103.9160.3165.6-101.4-77.9000108.9
687P37.1Very low34.1Very low113 Ų113138.1 Ų138.173%0.73478%0.778SS**  -162.3178.58742.8-21.5000119.7
688S35.7Very low33.5Very low114 Ų114137.4 Ų137.480%0.79778%0.781SS**  trans97.9139.8146-590000122.4
689I36.1Very low33.2Very low159 Ų159134.6 Ų134.682%0.81578%0.778SS**  trans-142.5152171.3-28.2174.8000107.7
690P35Very low33.1Very low122 Ų122139.2 Ų139.279%0.79279%0.791SS**  -143.5157.8107.227.6-7.7000112.9
691A32.9Very low33.1Very low91 Ų91140.5 Ų140.575%0.75279%0.791SS**  cis97.3110.328.200000115.3
692V36.3Very low33.2Very low151 Ų151136.9 Ų136.992%0.91578%0.782SS**  trans-148.6145.2163.7-178.30000109.5
693L31.8Very low33.3Very low153 Ų153138.8 Ų138.880%0.80179%0.785SS**  trans-145.1156.4174.3-118.4170.6000108.2
694P34.9Very low33.3Very low113 Ų113139 Ų13973%0.73479%0.786SS**  -153.4-173.39640.6-20.9000115.9
695D28.9Very low33.3Very low141 Ų141140.6 Ų140.675%0.75479%0.79SS**  trans-69.1165.3-173.9-51.4-96.1000117.5
696I32.4Very low33.1Very low165 Ų165138.2 Ų138.285%0.84678%0.784SS**  -171.9126.8112.8-92.4155.8000112.9
697S28.2Very low33.1Very low97 Ų97134.8 Ų134.868%0.67878%0.783SS**  trans22120.1152.5-52.40000124.1
698N26.6Very low33Very low161 Ų161134.6 Ų134.686%0.86177%0.772SS**  trans70141.2130.7-71.8-23.3000123.6
699A28.7Very low33.1Very low92 Ų92136.9 Ų136.976%0.7677%0.774SS**  trans6898.2153.500000119.6
700L31.2Very low33.7Very low180 Ų180133.6 Ų133.694%0.94277%0.765SS**  -163.7-172107.7-101162.6000110.7
701K32.7Very low34.1Very low165 Ų165130.8 Ų130.872%0.71775%0.749SS**  trans-145.1151.2-144.4-132.7-171.3157.3-1450113.2
702Q36Very low34.7Very low133 Ų133132.3 Ų132.362%0.62174%0.74SS**  trans67.6152156.9-65.2179.3-112.300116.7
703D35.2Very low35Very low125 Ų125131.9 Ų131.967%0.66873%0.726SS**  cis-160.6162.6-14.3-103.2-19.2000108.9
704D34.3Very low35.7Very low145 Ų145130.2 Ų130.278%0.77572%0.716SS**  -171146.2122.4-116.5-33.4000115.3
705L32.5Very low36.5Very low157 Ų157128 Ų12882%0.82270%0.7SS**  trans56.8102.5158.8-61.5169.4000122.1
706P33.9Very low37.5Very low121 Ų121126.2 Ų126.279%0.78669%0.691SS**  trans-126150155.638-26.5000114.7
707P35.7Very low38.7Very low133 Ų133122 Ų12286%0.86467%0.669SS**  trans-93.7126.417734.4-31.8000113.4
708H33.5Very low39.5Very low108 Ų108123.4 Ų123.450%0.566%0.663SS.*  trans-157.1104.2173.8-176.2-97.3000113.4S711H708-S711 WeakPolarHBondContact NE2-CB 3.24Å
709L38.1Very low40.6Very low162 Ų162119.8 Ų119.885%0.84864%0.644SS**  trans-1408179.7-14084.4000116.1
710S48.1Very low41.8Very low90 Ų90118.7 Ų118.763%0.62964%0.635SS**SBendtrans-102.5-45.7-176.453.40000114.2M714S710-M714 PolarHBondContact O-N 3.26Å
711S44.7Very low42.6Very low64 Ų64112.4 Ų112.445%0.44860%0.604SS.*Hα-helixtrans-70-42.1-172.7-174.60000113.3H708 F713 M714 T715H708-S711 WeakPolarHBondContact NE2-CB 3.24Å; S711-F713 VanDerWaalsContact C-N 3.34Å; S711-F713 PolarHBondContact O-N 2.96Å; S711-M714 PolarHBondContact O-N 2.88Å; S711-T715 WeakPolarHBondContact O-CB 3.35Å; S711-T715 PolarHBondContact O-N 3.07Å; S711-T715 PolarHBondContact O-OG1 3.47Å
712Q45.7Very low43.1Very low123 Ų123111.8 Ų111.858%0.57560%0.601SS**Hα-helixtrans-66.9-33.4179.5-84.2170-1000112.6T715 N716Q712-T715 PolarHBondContact O-N 2.98Å; Q712-N716 WeakPolarHBondContact O-CB 3.39Å; Q712-N716 PolarHBondContact O-N 3.32Å
713F42.7Very low43.3Very low142 Ų142110.6 Ų110.662%0.62360%0.599SS**Hα-helixtrans-64.5-48.7176-172.5-108.3000111.3S711 T715 N716 I717S711-F713 VanDerWaalsContact C-N 3.34Å; S711-F713 PolarHBondContact O-N 2.96Å; F713-T715 VanDerWaalsContact C-N 3.34Å; F713-T715 PolarHBondContact O-N 3Å; F713-N716 PolarHBondContact O-N 2.71Å; F713-I717 HydrophobicContact CD1-CD1 3.81Å; F713-I717 HydrophobicContact CE1-CD1 3.49Å; F713-I717 VanDerWaalsContact CE1-CD1 3.49Å; F713-I717 HydrophobicContact CE2-CD1 4.47Å; F713-I717 HydrophobicContact CG-CD1 4.45Å; F713-I717 HydrophobicContact CZ-CD1 3.86Å; F713-I717 WeakPolarHBondContact O-CG1 3.5Å; F713-I717 PolarHBondContact O-N 3.39Å
714M44.9Very low43.4Very low117 Ų117109.3 Ų109.358%0.57660%0.6SS**Hα-helixtrans-61.6-40.6174.7-68.1-70.8-76.200112.3S710 S711 I717 F718S710-M714 PolarHBondContact O-N 3.26Å; S711-M714 PolarHBondContact O-N 2.88Å; M714-I717 PolarHBondContact O-N 2.91Å; M714-F718 PolarHBondContact O-N 3.36Å
715T53Low43.2Very low67 Ų67111.6 Ų111.641%0.41161%0.606SS.*Hα-helixtrans-64-42.2177.1-56.20000111.9S711 Q712 F713 F718 N719S711-T715 WeakPolarHBondContact O-CB 3.35Å; S711-T715 PolarHBondContact O-N 3.07Å; S711-T715 PolarHBondContact O-OG1 3.47Å; Q712-T715 PolarHBondContact O-N 2.98Å; F713-T715 VanDerWaalsContact C-N 3.34Å; F713-T715 PolarHBondContact O-N 3Å; T715-F718 PolarHBondContact O-N 2.98Å; T715-N719 WeakPolarHBondContact O-CB 3.45Å; T715-N719 PolarHBondContact O-N 3.44Å; T715-N719 PolarHBondContact O-ND2 3.32Å
716N50.4Low43.2Very low104 Ų104109.1 Ų109.156%0.55660%0.602SS**Hα-helixtrans-69.2-36.1178.4-72-8.1000112Q712 F713 N719 A720Q712-N716 WeakPolarHBondContact O-CB 3.39Å; Q712-N716 PolarHBondContact O-N 3.32Å; F713-N716 PolarHBondContact O-N 2.71Å; N716-N719 PolarHBondContact O-N 3.21Å; N716-A720 VanDerWaalsContact O-CB 3.26Å; N716-A720 WeakPolarHBondContact O-CB 3.37Å; N716-A720 PolarHBondContact O-N 3.06Å
717I55.8Low42.9Very low75 Ų75108.8 Ų108.839%0.38560%0.602SS.*Hα-helixtrans-63.3-47.5171.7-70.5169.1000110.6F713 M714 N719 A720 V721F713-I717 HydrophobicContact CD1-CD1 3.81Å; F713-I717 HydrophobicContact CE1-CD1 3.49Å; F713-I717 VanDerWaalsContact CE1-CD1 3.49Å; F713-I717 HydrophobicContact CE2-CD1 4.47Å; F713-I717 HydrophobicContact CG-CD1 4.45Å; F713-I717 HydrophobicContact CZ-CD1 3.86Å; F713-I717 WeakPolarHBondContact O-CG1 3.5Å; F713-I717 PolarHBondContact O-N 3.39Å; M714-I717 PolarHBondContact O-N 2.91Å; I717-N719 VanDerWaalsContact C-N 3.34Å; I717-N719 PolarHBondContact O-N 3.06Å; I717-A720 PolarHBondContact O-N 3.5Å; I717-V721 HydrophobicContact CG2-CG2 4.18Å; I717-V721 WeakPolarHBondContact O-CB 3.4Å; I717-V721 VanDerWaalsContact O-CG2 3.27Å; I717-V721 WeakPolarHBondContact O-CG2 3.48Å; I717-V721 PolarHBondContact O-N 3.5Å
718F45.3Very low42.6Very low128 Ų128111 Ų11156%0.56160%0.604SS**Hα-helixtrans-57.2-46.3175.6-106.4-87.7000112.1M714 T715 A720 V721 F722M714-F718 PolarHBondContact O-N 3.36Å; T715-F718 PolarHBondContact O-N 2.98Å; F718-A720 PolarHBondContact O-N 3.44Å; F718-V721 PolarHBondContact O-N 3.02Å; F718-F722 AromaticContact CD1-CD2 3.82Å; F718-F722 HydrophobicContact CD1-CD2 3.82Å; F718-F722 AromaticContact CD1-CE2 3.93Å; F718-F722 HydrophobicContact CD1-CE2 3.93Å; F718-F722 HydrophobicContact CE1-CD2 4.2Å; F718-F722 AromaticContact CE1-CE2 3.85Å; F718-F722 HydrophobicContact CE1-CE2 3.85Å; F718-F722 PolarHBondContact O-N 3.22Å; F718-F722 VanDerWaalsContact O-N 3.11Å
719N49.9Very low42.5Very low85 Ų85113.1 Ų113.146%0.45562%0.619SS.*Hα-helixtrans-66.6-34.8179-76.6-30.7000113.3T715 N716 I717 N723T715-N719 WeakPolarHBondContact O-CB 3.45Å; T715-N719 PolarHBondContact O-N 3.44Å; T715-N719 PolarHBondContact O-ND2 3.32Å; N716-N719 PolarHBondContact O-N 3.21Å; I717-N719 VanDerWaalsContact C-N 3.34Å; I717-N719 PolarHBondContact O-N 3.06Å; N719-N723 WeakPolarHBondContact O-CB 3.37Å; N719-N723 PolarHBondContact O-N 3.07Å; N719-N723 PolarHBondContact O-ND2 2.96Å
720A54.1Low42.3Very low69 Ų69112.3 Ų112.357%0.5762%0.615SS**Hα-helixtrans-75-33.8177.900000113.1N716 I717 F718 S724N716-A720 VanDerWaalsContact O-CB 3.26Å; N716-A720 WeakPolarHBondContact O-CB 3.37Å; N716-A720 PolarHBondContact O-N 3.06Å; I717-A720 PolarHBondContact O-N 3.5Å; F718-A720 PolarHBondContact O-N 3.44Å; A720-S724 PolarHBondContact O-OG 3.09Å
721V48.4Very low41.6Very low48 Ų48115.7 Ų115.729%0.29163%0.626SS.*Hα-helixtrans-80.5-31.5-178.2170.90000112.8I717 F718 F754I717-V721 HydrophobicContact CG2-CG2 4.18Å; I717-V721 WeakPolarHBondContact O-CB 3.4Å; I717-V721 VanDerWaalsContact O-CG2 3.27Å; I717-V721 WeakPolarHBondContact O-CG2 3.48Å; I717-V721 PolarHBondContact O-N 3.5Å; F718-V721 PolarHBondContact O-N 3.02Å; V721-F754 HydrophobicContact CG1-CE2 4.16Å; V721-F754 HydrophobicContact CG1-CZ 3.88Å
722F43Very low41Very low151 Ų151121.3 Ų121.366%0.66265%0.645SS**Hα-helixtrans-107.2-11-171.7-74.6-83000116.4F718F718-F722 AromaticContact CD1-CD2 3.82Å; F718-F722 HydrophobicContact CD1-CD2 3.82Å; F718-F722 AromaticContact CD1-CE2 3.93Å; F718-F722 HydrophobicContact CD1-CE2 3.93Å; F718-F722 HydrophobicContact CE1-CD2 4.2Å; F718-F722 AromaticContact CE1-CE2 3.85Å; F718-F722 HydrophobicContact CE1-CE2 3.85Å; F718-F722 PolarHBondContact O-N 3.22Å; F718-F722 VanDerWaalsContact O-N 3.11Å
723N40.2Very low40.5Very low109 Ų109121 Ų12158%0.58366%0.656SS**  trans-102.518.4-178.7-67.2-63.4000115.1N719 Q725N719-N723 WeakPolarHBondContact O-CB 3.37Å; N719-N723 PolarHBondContact O-N 3.07Å; N719-N723 PolarHBondContact O-ND2 2.96Å; N723-Q725 PolarHBondContact O-N 3.2Å
724S37.2Very low40.2Very low97 Ų97120.9 Ų120.968%0.67867%0.668SS**  trans-75.435.9-172.8-41.80000115.5A720A720-S724 PolarHBondContact O-OG 3.09Å
725Q30.6Very low39.6Very low193 Ų193119.1 Ų119.190%0.90268%0.68SS**  trans-13960.2179.3-68-164.927.900114.3N723N723-Q725 PolarHBondContact O-N 3.2Å
726S31.1Very low38.7Very low105 Ų105119.6 Ų119.673%0.73469%0.69SS**  trans-166.197.4162.454.10000114.1
727S29.1Very low37.9Very low114 Ų114125.2 Ų125.280%0.79771%0.705SS**  trans15887.1143.7-74.80000112.4
728M29.5Very low37Very low181 Ų181128.4 Ų128.489%0.89272%0.723SS**  trans-142.493.9161.5-82.9-66150.200108.4
729N31.6Very low36.4Very low152 Ų152131.5 Ų131.581%0.81374%0.736SS**  trans-166151.3168-110.2-21.8000110.7
730N32.3Very low35.8Very low144 Ų144133.3 Ų133.377%0.7776%0.755SS**  trans68119.4-179.8-43.4-18.9000112.5
731N35.1Very low34.8Very low161 Ų161134.8 Ų134.886%0.86176%0.762SS**  cis-136.316338.7-71.7-36.9000114.7
732E30.1Very low34.3Very low183 Ų183138.2 Ų138.286%0.85578%0.783SS**  trans-76.3151.4176.7-61.7156.971.300113.8
733S36.8Very low33.9Very low115 Ų115140.7 Ų140.780%0.80479%0.793SS**  trans-162.383.4149.8-69.80000112.3
734T35.5Very low33.7Very low141 Ų141140.9 Ų140.987%0.86580%0.803SS**  trans39.1105.3144.757.50000121.4
735G31.8Very low33.8Very low80 Ų80142.2 Ų142.283%0.82581%0.81SS**  trans107.5150.813800000118.5
736A34.8Very low34.1Very low77 Ų77137.6 Ų137.664%0.63681%0.805SS**  cis-163.5131.6-13.400000112
737Y33.4Very low34.5Very low221 Ų221138.4 Ų138.487%0.86781%0.81SS**  trans63.5153.6173.1-42.7-73.3000115.3
738D36.4Very low35.1Very low143 Ų143139.7 Ų139.777%0.76581%0.813SS**  cis-143.2179.43.5-140.2-35.3000112.5
739K34.1Very low36.1Very low192 Ų192137.9 Ų137.984%0.83580%0.801SS**  trans-90.9137.3-164.9-58.6163.5-175.7164.60115.5
740S37.5Very low37.4Very low123 Ų123134.1 Ų134.186%0.8678%0.78SS**  trans-159.5163.9143580000113.8
741S32.9Very low38.8Very low101 Ų101134 Ų13471%0.70677%0.773SS**  trans-67.4160.4177.5-168.40000111.3
742T36.4Very low40.1Very low120 Ų120129.7 Ų129.774%0.73676%0.756SS**  cis-160.5168.135.5-42.40000112.6
743K35.8Very low41.6Very low202 Ų202127.3 Ų127.388%0.87874%0.744SS**  trans-36.2138.5174.9-56.4172.6-178.9176.80115.9
744S34.8Very low43Very low113 Ų113125 Ų12579%0.7972%0.72SS**PPolyproline II helixtrans-102.5146.9162.550.50000112.1
745P40.3Very low44.6Very low125 Ų125121.2 Ų121.281%0.81270%0.696SS**PPolyproline II helixtrans-85.1166.8165.335.4-33.3000111.7
746A36.2Very low46Very low97 Ų97121.8 Ų121.880%0.80268%0.681SS**PPolyproline II helixtrans-69.5148.3-177.100000113.5V748A746-V748 PolarHBondContact O-N 2.76Å
747S39.9Very low47.1Very low121 Ų121123.7 Ų123.785%0.84668%0.676SS**PPolyproline II helixtrans-72.6119.9177.853.50000112.3
748V42.1Very low48.3Very low141 Ų141116.4 Ų116.486%0.85565%0.652SS**PPolyproline II helixtrans-70.1137.1169.9179.20000109.8A746 D750A746-V748 PolarHBondContact O-N 2.76Å; V748-D750 PolarHBondContact O-N 2.67Å
749F49.7Very low48.9Very low144 Ų144117.8 Ų117.863%0.63265%0.648SS**  trans-74.3113.8177.2176.9-95000111.1F751 F754F749-F751 HydrophobicContact CD1-CB 4.48Å; F749-F751 HydrophobicContact CE1-CB 4.23Å; F749-F751 HydrophobicContact CE1-CD2 4.23Å; F749-F751 PolarHBondContact O-N 2.67Å; F749-F754 HydrophobicContact CE1-CB 4.24Å; F749-F754 HydrophobicContact CE2-CB 4.38Å; F749-F754 HydrophobicContact CZ-CB 3.66Å; F749-F754 HydrophobicContact CZ-CD1 4.15Å; F749-F754 HydrophobicContact CZ-CD2 4.11Å; F749-F754 AromaticContact CZ-CG 3.73Å; F749-F754 HydrophobicContact CZ-CG 3.73Å
750D59.7Low49.5Very low72 Ų72115.9 Ų115.939%0.38564%0.641SS.*  trans-82.198.9174.4-175.8-11.1000110.9V748 S752 Q753 F754V748-D750 PolarHBondContact O-N 2.67Å; D750-S752 PolarHBondContact O-N 3.29Å; D750-S752 WeakPolarHBondContact OD1-CA 3.42Å; D750-S752 WeakPolarHBondContact OD1-CB 3.5Å; D750-S752 PolarHBondContact OD1-N 3.09Å; D750-Q753 HydrophobicContact CB-CB 4.08Å; D750-Q753 HydrophobicContact CB-CG 4.26Å; D750-Q753 PolarHBondContact O-N 3.24Å; D750-Q753 PolarHBondContact OD1-N 3.26Å; D750-Q753 VanDerWaalsContact OD1-N 3.12Å; D750-Q753 WeakPolarHBondContact OD2-CG 3.31Å; D750-Q753 PolarHBondContact OD2-NE2 3.09Å; D750-F754 PolarHBondContact O-N 2.75Å; D750-F754 VanDerWaalsContact O-N 3.11Å
751F60.7Low50.2Low143 Ų143116.3 Ų116.363%0.62763%0.63SS**Hα-helixtrans-58.5-29.6175-175.2-94.4000113F749 F754 V755F749-F751 HydrophobicContact CD1-CB 4.48Å; F749-F751 HydrophobicContact CE1-CB 4.23Å; F749-F751 HydrophobicContact CE1-CD2 4.23Å; F749-F751 PolarHBondContact O-N 2.67Å; F751-F754 PolarHBondContact O-N 3.17Å; F751-V755 HydrophobicContact CD1-CG2 3.98Å; F751-V755 HydrophobicContact CE1-CG2 3.6Å; F751-V755 HydrophobicContact CZ-CG2 3.94Å; F751-V755 WeakPolarHBondContact O-CG2 3.46Å; F751-V755 PolarHBondContact O-N 3.3Å
752S64.3Low50.5Low70 Ų70115.9 Ų115.949%0.4963%0.627SS.*Hα-helixtrans-73.7-35.5178-161.50000112D750 N756D750-S752 PolarHBondContact O-N 3.29Å; D750-S752 WeakPolarHBondContact OD1-CA 3.42Å; D750-S752 WeakPolarHBondContact OD1-CB 3.5Å; D750-S752 PolarHBondContact OD1-N 3.09Å; S752-N756 WeakPolarHBondContact O-CB 3.47Å; S752-N756 VanDerWaalsContact O-CG 3.31Å; S752-N756 PolarHBondContact O-N 3.27Å; S752-N756 PolarHBondContact O-ND2 3.15Å
753Q60.4Low50.5Low132 Ų132114.5 Ų114.562%0.61762%0.622SS**Hα-helixtrans-66.2-41.9170.1-80.7176.669.600111.4D750 N756 H757D750-Q753 HydrophobicContact CB-CB 4.08Å; D750-Q753 HydrophobicContact CB-CG 4.26Å; D750-Q753 PolarHBondContact O-N 3.24Å; D750-Q753 PolarHBondContact OD1-N 3.26Å; D750-Q753 VanDerWaalsContact OD1-N 3.12Å; D750-Q753 WeakPolarHBondContact OD2-CG 3.31Å; D750-Q753 PolarHBondContact OD2-NE2 3.09Å; Q753-N756 PolarHBondContact O-N 3.37Å; Q753-H757 WeakPolarHBondContact O-CB 3.45Å; Q753-H757 PolarHBondContact O-N 3.01Å
754F67.4Low50.2Low68 Ų68107.6 Ų107.630%0.29861%0.608SS.*Hα-helixtrans-60.1-46.7175.3177.4-110.1000112.6V721 F749 D750 F751 H757 L758V721-F754 HydrophobicContact CG1-CE2 4.16Å; V721-F754 HydrophobicContact CG1-CZ 3.88Å; F749-F754 HydrophobicContact CE1-CB 4.24Å; F749-F754 HydrophobicContact CE2-CB 4.38Å; F749-F754 HydrophobicContact CZ-CB 3.66Å; F749-F754 HydrophobicContact CZ-CD1 4.15Å; F749-F754 HydrophobicContact CZ-CD2 4.11Å; F749-F754 AromaticContact CZ-CG 3.73Å; F749-F754 HydrophobicContact CZ-CG 3.73Å; D750-F754 PolarHBondContact O-N 2.75Å; D750-F754 VanDerWaalsContact O-N 3.11Å; F751-F754 PolarHBondContact O-N 3.17Å; F754-H757 PolarHBondContact O-N 2.95Å; F754-L758 HydrophobicContact CD1-CD1 4.06Å; F754-L758 HydrophobicContact CE1-CD1 3.54Å; F754-L758 HydrophobicContact CE1-CG 4.45Å; F754-L758 HydrophobicContact CE2-CD1 4.28Å; F754-L758 HydrophobicContact CE2-CG 4.4Å; F754-L758 HydrophobicContact CZ-CD1 3.68Å; F754-L758 HydrophobicContact CZ-CG 4.26Å; F754-L758 PolarHBondContact O-N 3.27Å
755V69.2Low49.9Very low60 Ų60112.3 Ų112.336%0.36462%0.615SS.*Hα-helixtrans-62.8-43.1176.4169.70000111.8F751 H757 L758 Y759F751-V755 HydrophobicContact CD1-CG2 3.98Å; F751-V755 HydrophobicContact CE1-CG2 3.6Å; F751-V755 HydrophobicContact CZ-CG2 3.94Å; F751-V755 WeakPolarHBondContact O-CG2 3.46Å; F751-V755 PolarHBondContact O-N 3.3Å; V755-H757 VanDerWaalsContact C-N 3.32Å; V755-H757 PolarHBondContact O-N 3.4Å; V755-L758 PolarHBondContact O-N 3.2Å; V755-Y759 PolarHBondContact O-N 3.07Å
756N60.7Low49.4Very low92 Ų92114.6 Ų114.649%0.49262%0.619SS.*Hα-helixtrans-63.5-36.8175.3-76.8-27.5000112.3S752 Q753 Y759 H760S752-N756 WeakPolarHBondContact O-CB 3.47Å; S752-N756 VanDerWaalsContact O-CG 3.31Å; S752-N756 PolarHBondContact O-N 3.27Å; S752-N756 PolarHBondContact O-ND2 3.15Å; Q753-N756 PolarHBondContact O-N 3.37Å; N756-Y759 PolarHBondContact O-N 3.22Å; N756-H760 PolarHBondContact O-N 3.41Å
757H57.3Low49.1Very low117 Ų117116.8 Ų116.854%0.54262%0.617SS.*Hα-helixtrans-68.3-41177.4-151.671.8000111.8Q753 F754 V755 Y759 H760 Q761Q753-H757 WeakPolarHBondContact O-CB 3.45Å; Q753-H757 PolarHBondContact O-N 3.01Å; F754-H757 PolarHBondContact O-N 2.95Å; V755-H757 VanDerWaalsContact C-N 3.32Å; V755-H757 PolarHBondContact O-N 3.4Å; H757-Y759 VanDerWaalsContact C-N 3.33Å; H757-Y759 PolarHBondContact O-N 3.38Å; H757-H760 PolarHBondContact O-N 3.28Å; H757-Q761 PolarHBondContact CD2-NE2 3.41Å; H757-Q761 PolarHBondContact NE2-NE2 2.93Å; H757-Q761 WeakPolarHBondContact O-CB 3.18Å; H757-Q761 WeakPolarHBondContact O-CG 3.39Å; H757-Q761 PolarHBondContact O-N 3.44Å
758L58.2Low48.8Very low69 Ų69118.5 Ų118.536%0.36162%0.616SS.*Hα-helixtrans-61.6-39.1171.3-73.4174.1000112.3F754 V755 H760 Q761 S762F754-L758 HydrophobicContact CD1-CD1 4.06Å; F754-L758 HydrophobicContact CE1-CD1 3.54Å; F754-L758 HydrophobicContact CE1-CG 4.45Å; F754-L758 HydrophobicContact CE2-CD1 4.28Å; F754-L758 HydrophobicContact CE2-CG 4.4Å; F754-L758 HydrophobicContact CZ-CD1 3.68Å; F754-L758 HydrophobicContact CZ-CG 4.26Å; F754-L758 PolarHBondContact O-N 3.27Å; V755-L758 PolarHBondContact O-N 3.2Å; L758-H760 VanDerWaalsContact C-N 3.34Å; L758-H760 PolarHBondContact O-N 3.26Å; L758-Q761 PolarHBondContact O-N 3.46Å; L758-S762 WeakPolarHBondContact O-CB 3.48Å; L758-S762 PolarHBondContact O-N 2.9Å; L758-S762 PolarHBondContact O-OG 3.34Å
759Y49.4Very low48.3Very low172 Ų172119.2 Ų119.268%0.67562%0.615SS**Hα-helixtrans-66.4-36.1179-144.5-86.4000112.2V755 N756 H757 S762 S763V755-Y759 PolarHBondContact O-N 3.07Å; N756-Y759 PolarHBondContact O-N 3.22Å; H757-Y759 VanDerWaalsContact C-N 3.33Å; H757-Y759 PolarHBondContact O-N 3.38Å; Y759-S762 PolarHBondContact O-OG 3Å; Y759-S763 PolarHBondContact O-OG 3.36Å
760H47.7Very low47.4Very low152 Ų152116.2 Ų116.270%0.70462%0.616SS**Hα-helixtrans-74.2-40.5172.7-88.9-74.8000113N756 H757 L758 S762 S763N756-H760 PolarHBondContact O-N 3.41Å; H757-H760 PolarHBondContact O-N 3.28Å; L758-H760 VanDerWaalsContact C-N 3.34Å; L758-H760 PolarHBondContact O-N 3.26Å; H760-S762 VanDerWaalsContact C-N 3.33Å; H760-S762 PolarHBondContact O-N 3.27Å; H760-S763 PolarHBondContact O-N 3.11Å
761Q51.5Low46.3Very low131 Ų131121.8 Ų121.861%0.61264%0.64SS**Hα-helixtrans-71.3-22.7178.8-72.3-172.9-1.900114.2H757 L758 S763H757-Q761 PolarHBondContact CD2-NE2 3.41Å; H757-Q761 PolarHBondContact NE2-NE2 2.93Å; H757-Q761 WeakPolarHBondContact O-CB 3.18Å; H757-Q761 WeakPolarHBondContact O-CG 3.39Å; H757-Q761 PolarHBondContact O-N 3.44Å; L758-Q761 PolarHBondContact O-N 3.46Å; Q761-S763 VanDerWaalsContact C-N 3.32Å
762S39.3Very low45Very low93 Ų93121.6 Ų121.665%0.6565%0.645SS**THydrogen-bonded Turntrans-82.5-6.5173.646.10000114L758 Y759 H760 G764L758-S762 WeakPolarHBondContact O-CB 3.48Å; L758-S762 PolarHBondContact O-N 2.9Å; L758-S762 PolarHBondContact O-OG 3.34Å; Y759-S762 PolarHBondContact O-OG 3Å; H760-S762 VanDerWaalsContact C-N 3.33Å; H760-S762 PolarHBondContact O-N 3.27Å; S762-G764 PolarHBondContact O-N 2.84Å
763S36.4Very low43.4Very low91 Ų91123.7 Ų123.764%0.63666%0.657SS**  trans-93.560.8177.5-60.50000111Y759 H760 Q761Y759-S763 PolarHBondContact O-OG 3.36Å; H760-S763 PolarHBondContact O-N 3.11Å; Q761-S763 VanDerWaalsContact C-N 3.32Å
764G29.1Very low42.1Very low57 Ų57124.8 Ų124.859%0.58867%0.667SS**  trans-132.917.3-161.400000117.9S762S762-G764 PolarHBondContact O-N 2.84Å
765F29.7Very low40.4Very low212 Ų212128.7 Ų128.793%0.9369%0.686SS**SBendtrans-143.3151.9170.7-91.1-86.2000110.4
766L28.9Very low38.6Very low172 Ų172136.6 Ų136.690%0.90171%0.71SS**  trans74.679.7-171.2-54.1173.9000115.2
767D30.2Very low37Very low143 Ų143137.7 Ų137.777%0.76573%0.725SS**  trans-155.2105.6146.4-137.7-18.4000112.3
768I33.6Very low35.9Very low158 Ų158139 Ų13981%0.8174%0.741SS**  trans-142.8129162.5-63-174.8000107.1
769N31.6Very low34.4Very low156 Ų156146.7 Ų146.783%0.83477%0.766SS**  trans79.962.4-178.6-61.2-21.7000117.6
770A30.3Very low33.6Very low80 Ų80144.9 Ų144.966%0.66177%0.772SS**  trans-89.5119.9149.600000110.3
771H37.2Very low32.7Very low190 Ų190144 Ų14488%0.8877%0.773SS**  trans-139.581167.9-120.5-78000112.6
772N32.7Very low31.7Very low139 Ų139144.6 Ų144.674%0.74378%0.778SS**  trans32.4102.4149.6-166.613.7000119.1
773P31Very low31.5Very low113 Ų113145.3 Ų145.373%0.73478%0.781SS**  trans-87.1124.3168.833.4-29.9000112
774N32.4Very low31.1Very low156 Ų156149.8 Ų149.883%0.83479%0.789SS**  trans-168.1159.9148.6-112.2-51.9000114.6
775Q31.3Very low31.1Very low150 Ų150152 Ų15270%0.70179%0.791SS**  trans87.3144.5158.4-123177.452.900120.5
776W31.8Very low31.1Very low225 Ų225147 Ų14785%0.85278%0.782SS**  trans62.5124.6175.3-8.4-65.7000120.3
777S27.4Very low31.2Very low115 Ų115143.8 Ų143.880%0.80477%0.769SS**  trans-102.7162161.5-410000110.4
778T33.2Very low31.2Very low146 Ų146143.3 Ų143.390%0.89676%0.762SS**  trans-172.5156.7132-80.20000110.9
779R28.6Very low31.1Very low230 Ų230136.8 Ų136.887%0.86873%0.731SS**  trans-86.6157.1-174.5-52.5173.3-180177.9-1.5113.4
780V32.3Very low31.3Very low134 Ų134136.1 Ų136.181%0.81272%0.722SS**  173.6122.8126.3152.40000105.6
781N28.7Very low31.3Very low134 Ų134137 Ų13772%0.71772%0.72SS**  cis102.6153.725.8-165.332.5000113.7
782I29.6Very low31.1Very low142 Ų142135.1 Ų135.173%0.72872%0.715SS**  trans72.7145.9172.743.2179000119.5
783P35.8Very low31Very low109 Ų109135.9 Ų135.971%0.70872%0.719SS**  trans-143.9-127.3-134.738.2-11.3000114.6
784F27.4Very low31Very low185 Ų185134 Ų13481%0.81171%0.713SS**  trans79.7153.2173.6-93.7-123.8000118.1
785V30.1Very low30.7Very low104 Ų104131.9 Ų131.963%0.6371%0.71SS**  cis179.4169.5-35.8123.30000110.4
786C29Very low30.8Very low107 Ų107131.5 Ų131.572%0.72371%0.712SS**  trans76.1154163.4-84.80000120.1
787T30.7Very low30.7Very low104 Ų104130.9 Ų130.964%0.63871%0.711SS**  cis-174.1149.5-24.322.20000111.4
788Q31.3Very low30.8Very low133 Ų133129.7 Ų129.762%0.62170%0.702SS**  trans57.5175.7146.6-72169.1-36.200118.4
789S31.5Very low30.8Very low21 Ų21128 Ų12815%0.14770%0.697CS.*  cis-147-173.7-35.3-92.80000107S269 S270S269-S789 VanDerWaalsContact CB-C 3.48Å; S269-S789 VanDerWaalsContact CB-O 3.24Å; S269-S789 WeakPolarHBondContact CB-O 3.46Å; S269-S789 PolarHBondContact OG-O 3.34Å; S270-S789 VanDerWaalsContact C-OG 3.3Å; S270-S789 VanDerWaalsContact O-CB 3.28Å; S270-S789 WeakPolarHBondContact O-CB 3.11Å; S270-S789 PolarHBondContact O-OG 3.01Å
790E34.3Very low30.9Very low141 Ų141121.9 Ų121.966%0.65969%0.689SS**  cis-133.7-136.724.7-69.575.6-11700114.7S270S270-E790 CarbonylContact C-O 3.38Å; S270-E790 PolarHBondContact N-O 3.2Å; S270-E790 CarbonylContact O-C 3.51Å; S270-E790 VanDerWaalsContact O-C 3.23Å; S270-E790 WeakPolarHBondContact O-CA 3.43Å
791V31.9Very low30.9Very low100 Ų100123.7 Ų123.761%0.60669%0.693SS**  trans-154.8157.2-135.5135.20000116.4P271P271-V791 HydrophobicContact CB-CG2 4.07Å
792L31.7Very low31.3Very low149 Ų149121.5 Ų121.578%0.7869%0.694SS**  trans21.9135.9158.8-63.6168.3000123.5
793D31.1Very low31.7Very low156 Ų156119.7 Ų119.783%0.83469%0.691SS**  170.1178.5113-99.8-10.1000112.2
794A30.2Very low31.6Very low74 Ų74121.1 Ų121.161%0.61269%0.691SS**  -172.9136.3-6300000112.2
795S27.9Very low31.8Very low110 Ų110117.3 Ų117.377%0.76969%0.688SS**  trans77.1164.7148.479.60000123.4
796I31.8Very low31.7Very low142 Ų142120 Ų12073%0.72870%0.698SS**  trans92.398164.4-57.8174.5000119.1
797Y30Very low31.7Very low212 Ų212120.9 Ų120.983%0.83170%0.701SS**  38.7150.2126.4-66.6-76.7000121.9
798S30.3Very low31.6Very low90 Ų90123.1 Ų123.163%0.62971%0.708SS**  cis-163.1155.710.7-147.80000112.7
799S32.3Very low31.6Very low112 Ų112120.9 Ų120.978%0.78370%0.704SS**  trans58.8155.7141.7-62.80000120.8
800S31.3Very low31.5Very low101 Ų101128.2 Ų128.271%0.70673%0.733SS**  cis-173141.4-23175.80000107.8
801L32.1Very low31.5Very low172 Ų172123.1 Ų123.190%0.90172%0.718SS**  trans159.9134.1142.1-87.2158.4000111.1
802A37.3Very low31.5Very low87 Ų87125.9 Ų125.972%0.71972%0.722SS**  trans-111.7-174.5172.300000109.4
803P37.3Very low31.6Very low105 Ų105129.7 Ų129.768%0.68273%0.728SS**  -152175.667.936.8-13.9000117.5
804I33.7Very low31.7Very low138 Ų138126 Ų12671%0.70873%0.726SS**  trans40.2120150.764.1-159.2000120.1
805S31.4Very low31.8Very low105 Ų105128.1 Ų128.173%0.73474%0.737SS**  cis71133.121-39.20000117.6
806N29.8Very low32.1Very low160 Ų160131.7 Ų131.786%0.85674%0.738SS**  trans-179153.1132-90-18.8000113.6
807T28.7Very low32.2Very low127 Ų127132.3 Ų132.378%0.77974%0.74SS**  trans-156.3171.1-165.1-42.70000111.3
808L28.4Very low32.2Very low150 Ų150127.8 Ų127.879%0.78574%0.739SS**  trans81.9156.6163.4-47.3174.2000116.7
809T31.5Very low32.4Very low86 Ų86128.7 Ų128.753%0.52875%0.746SS.*  cis-158.6-167.60.9-2.40000115.8N661 S662N661-T809 PolarHBondContact O-OG1 3.08Å; S662-T809 WeakPolarHBondContact OG-CB 3.42Å; S662-T809 WeakPolarHBondContact OG-CG2 3.33Å
810F30Very low32.5Very low176 Ų176130.7 Ų130.777%0.77275%0.747SS**  trans-83.3-139.2-163.6-128.4-93000118.3S662 P663 T664S662-F810 VanDerWaalsContact CB-C 3.49Å; S662-F810 WeakPolarHBondContact OG-CB 3.38Å; S662-F810 PolarHBondContact OG-N 3.01Å; S662-F810 VanDerWaalsContact OG-N 3.08Å; P663-F810 WeakPolarHBondContact CA-O 3.42Å; P663-F810 WeakPolarHBondContact CB-O 3.47Å; T664-F810 WeakPolarHBondContact CA-O 3.35Å; T664-F810 WeakPolarHBondContact CG2-O 3.44Å
811G32.2Very low32.8Very low33 Ų33131.1 Ų131.134%0.3475%0.747SS.*  trans-159.2156.6-152.300000128.6T664T664-G811 WeakPolarHBondContact OG1-CA 3.16Å
812K33.7Very low32.8Very low159 Ų159128.7 Ų128.769%0.69174%0.74SS**  trans147.7161142.2-83.5176.3-179.6-177.30119.5T664T664-K812 PolarHBondContact OG1-N 3.11Å; T664-K812 VanDerWaalsContact OG1-N 3.11Å
813Y33.3Very low32.6Very low229 Ų229128.8 Ų128.890%0.89874%0.735SS**  trans91.6139.8147.4-78.8-64.4000124.6
814G32Very low32.3Very low77 Ų77130 Ų13079%0.79474%0.736SS**  trans144105.2150.700000118.6
815S33.4Very low32.6Very low120 Ų120129.2 Ų129.284%0.83973%0.733SS**  trans-90.2150.7-176.4-42.50000116.3
816K34.7Very low32.8Very low185 Ų185132.5 Ų132.580%0.80473%0.731SS**  175.2143.6122.1-101.2174.7175.2-177.40118.1
817M32.6Very low33.1Very low155 Ų155130.2 Ų130.276%0.76472%0.715SS**  trans73.9130.8138.8-74.3167.9141.300124.5
818S30.3Very low33.4Very low116 Ų116130.2 Ų130.281%0.81171%0.706SS**  trans62.1145.2148.544.50000120.7
819S34.2Very low33.8Very low110 Ų110130.4 Ų130.477%0.76970%0.702SS**  cis-166.6161.1-8.942.90000111.3
820L34.6Very low33.9Very low154 Ų154133.2 Ų133.281%0.80671%0.71SS**  trans-76.9160.3172.7-74.178.3000112.2
821P38.4Very low34Very low109 Ų109133.8 Ų133.871%0.70871%0.712SS**  -129.8160.491.434.1-20000113
822T31.7Very low34.2Very low122 Ų122138.3 Ų138.375%0.74873%0.732SS**  56.7138.857.629.70000114.8
823S33.1Very low34Very low88 Ų88134.5 Ų134.562%0.61573%0.731SS**  cis-164.3169.7-5.2-155.20000111
824N31.7Very low34Very low131 Ų131132.5 Ų132.570%0.70173%0.727SS**  trans67.2149.1161-68.540.8000116.6
825D38.7Very low34Very low122 Ų122133.7 Ų133.765%0.65272%0.723SS**  cis-155.1-164.90.8-121.7-39.3000108.8
826Y35.4Very low33.9Very low174 Ų174133.2 Ų133.268%0.68272%0.715SS**  cis-156.5-171.716.3-150.7-152000115.1
827Q35.5Very low33.7Very low111 Ų111130.9 Ų130.952%0.51971%0.712SS.*  trans-54.7177167.2-66.4172.912.300116.2
828Q35.3Very low33.7Very low127 Ų127129.1 Ų129.159%0.59371%0.705SS**  cis-165.5163.28.3-128.7157.913.700107.2
829H37.9Very low33.9Very low154 Ų154129 Ų12971%0.71370%0.696SS**  cis-159.9146.533.9-91.8-75.1000108.3
830Q33.4Very low33.8Very low146 Ų146130.7 Ų130.768%0.68270%0.696SS**  65.5118.779.3-64.3-164.612.700116.8
831K31.9Very low33.8Very low188 Ų188127.6 Ų127.682%0.81769%0.687SS**  62.913796.7-66.6-173.3172.5-175.90114.1
832V36Very low33.6Very low127 Ų127128.6 Ų128.677%0.7769%0.692SS**  -151.5160.651-83.40000110.4
833A30.6Very low33.6Very low80 Ų80128.8 Ų128.866%0.66169%0.688SS**  cis96.7152.631.900000115.2
834F32.9Very low33.8Very low187 Ų187130.2 Ų130.282%0.8269%0.693SS**  trans78.9137.3-175.4-59-74.8000115.3
835S30.8Very low33.8Very low102 Ų102130 Ų13071%0.71369%0.692SS**  cis110.5141.922-81.20000111.3
836T31.3Very low33.6Very low110 Ų110131.5 Ų131.568%0.67570%0.7SS**  cis-165.9167.7-13.3-61.50000107.1
837N31.4Very low33.6Very low136 Ų136128.2 Ų128.273%0.72770%0.703SS**  trans72.4143.2154.1-100.611.2000117.5
838N31.7Very low33.4Very low117 Ų117127.2 Ų127.263%0.62671%0.708SS**  cis-177.4174.13-144.7-3000109.4
839N35.4Very low33.3Very low114 Ų114130.8 Ų130.861%0.6172%0.722SS**  trans72.7111.7154.4-60.9-17.5000120.8
840N31.8Very low32.9Very low146 Ų146129.2 Ų129.278%0.78173%0.726SS**  57141.2119.3-53.7-10.8000119.6
841S34.5Very low32.8Very low89 Ų89129 Ų12962%0.62274%0.74SS**  cis-167.2152.328.7-143.70000112.9
842T35.6Very low32.8Very low130 Ų130127.6 Ų127.680%0.79874%0.741SS**  trans56.6157.2147.152.20000120.9
843N30.8Very low32.8Very low126 Ų126128.2 Ų128.267%0.67475%0.745SS**  cis-172.2175.9-27.8-170.711.6000106.4
844T36.4Very low32.9Very low118 Ų118127.9 Ų127.972%0.72475%0.75SS**  trans72.1157170.275.10000116.6
845N33Very low33.1Very low126 Ų126127 Ų12767%0.67475%0.753SS**  cis178160.6-49.3-99.6-7.5000106.6
846N34.6Very low33.3Very low154 Ų154127.2 Ų127.282%0.82475%0.75SS**  trans67.9155.6170.4-51.1-18.3000115.1
847S35.3Very low33.6Very low105 Ų105129 Ų12973%0.73476%0.755SS**  cis-162.4153.6-29.248.60000109.5
848S31.9Very low33.9Very low89 Ų89130.2 Ų130.262%0.62276%0.759SS**  trans-45.2144.3165.949.80000114.8
849F33Very low34.2Very low203 Ų203131.8 Ų131.889%0.8977%0.767SS**  -174.5162.9108.7-104-71.9000112.3
850C28.5Very low34.4Very low120 Ų120131.7 Ų131.781%0.81178%0.775SS**  trans-94.7156.8-180-53.30000112.2
851C32.4Very low34.5Very low142 Ų142133.5 Ų133.596%0.95978%0.779SS**  trans-160.2161.5150.5-113.90000110.7
852N31.1Very low34.8Very low159 Ų159134.1 Ų134.185%0.8578%0.781SS**  trans-148.2121.1-165.6-173.737.1000113
853T36.1Very low34.7Very low139 Ų139133.9 Ų133.985%0.85378%0.779SS**  trans-169.9144170.441.40000108
854G33.2Very low35.1Very low74 Ų74132.6 Ų132.676%0.76378%0.78SS**  cis119.5105.41.500000112.3
855L35.8Very low35.1Very low167 Ų167132.1 Ų132.187%0.87478%0.777SS**  trans-163.6170.7170.9-112.4166000111.4
856T36.5Very low35.2Very low108 Ų108133.2 Ų133.266%0.66378%0.783SS**  trans-125.6174.6-159.947.70000114
857D37.6Very low35.3Very low146 Ų146131 Ų13178%0.78178%0.779SS**  174.5-171.7119.3-79.7-4.5000112.4
858M37.6Very low35.3Very low163 Ų163130.1 Ų130.180%0.80378%0.779SS**  trans-135.6-175.9-133.6-86.7-72.1169.900117.6
859D37.5Very low35.5Very low150 Ų150131.1 Ų131.180%0.80279%0.786SS**  trans78148.6161.2-61.2-44.9000119
860S38.8Very low35.6Very low111 Ų111126.2 Ų126.278%0.77678%0.777SS**  cis-162.9171.6-13.949.30000112.4
861H33.5Very low35.8Very low185 Ų185128.8 Ų128.886%0.85677%0.774SS**  trans-109.8-172.5177.8-103.7-46.2000110.7
862P41.4Very low36Very low102 Ų102128.2 Ų128.266%0.66277%0.766SS**  cis-152.4-176.425.141-16.7000120
863T34.7Very low36.3Very low125 Ų125131.6 Ų131.677%0.76777%0.767SS**  trans49152.1147.746.70000123.2
864S37.4Very low36.2Very low98 Ų98131.5 Ų131.569%0.68576%0.757SS**  cis-171.5-159.5-16.150.40000107.7
865T37Very low36.8Very low108 Ų108136 Ų13666%0.66376%0.763SS**  cis-168.9164.710.6-140000110.5
866N35.9Very low36.9Very low150 Ų150133.4 Ų133.480%0.80275%0.75SS**  trans65.5145.6157.4-66.9-10000120.5
867S35.8Very low37Very low107 Ų107135.8 Ų135.875%0.74876%0.759SS**  cis-170.4155.8-10.550.50000114.3
868A36.3Very low37.2Very low87 Ų87134.2 Ų134.272%0.71976%0.756SS**  trans96.1114.9149.100000123.1
869S36Very low37.1Very low110 Ų110130.8 Ų130.877%0.76975%0.754SS**  trans60.9137.7147.549.30000121.3
870S34.7Very low36.9Very low100 Ų100131.6 Ų131.670%0.69976%0.756SS**  cis-154.3133.33.2-97.40000114.5
871F32.6Very low36.7Very low174 Ų174132.3 Ų132.376%0.76376%0.756SS**  trans41.2104.9148.4-67.8-82.8000122.2
872T37Very low36.5Very low129 Ų129128.9 Ų128.979%0.79175%0.753SS**  -118.6154.6129.549.80000108.7
873W36Very low36.2Very low231 Ų231129.6 Ų129.688%0.87576%0.76SS**  trans-83.1133.7-179.8-78.989000111.9
874Q34.4Very low35.9Very low137 Ų137134.8 Ų134.864%0.6477%0.766SS**  trans-144.1141.4-178-176.2166.5-6.800107.1D876Q874-D876 PolarHBondContact NE2-OD2 3.08Å
875L45.5Very low35.7Very low169 Ų169137.7 Ų137.789%0.88577%0.773SS**  trans-136.181.9175-142.287.4000108.8
876D38.5Very low35.4Very low111 Ų111137 Ų13759%0.59477%0.772SS**  trans-91.1156.7165.4-62.4-44.5000109.1Q874Q874-D876 PolarHBondContact NE2-OD2 3.08Å
877D37.7Very low35Very low159 Ų159136.5 Ų136.585%0.8578%0.775SS**  -164.3153.699.2-109.8-28.6000112
878P42.8Very low34.9Very low112 Ų112136.9 Ų136.973%0.72778%0.778SS**  trans-117-158.5-167.445.2-36.6000114.5
879A35.7Very low34.5Very low92 Ų92140.3 Ų140.376%0.7678%0.784SS**  trans77.4131.4173.700000115.3
880I34.2Very low34.4Very low166 Ų166140.4 Ų140.485%0.85178%0.784SS**  -146.3163.759.7-85.7164.5000112.1
881V33.8Very low34.2Very low126 Ų126141.5 Ų141.576%0.76479%0.787SS**  trans-105.1146.5-172.4166.90000112.9
882S29.2Very low34.3Very low114 Ų114138.9 Ų138.980%0.79779%0.785SS**  trans68.5142.5173.1-68.80000115.6
883S34.8Very low34.2Very low117 Ų117142.1 Ų142.182%0.81879%0.788SS**  cis-157.6174.242.949.30000113.7
884R29.6Very low33.9Very low233 Ų233138 Ų13888%0.87978%0.784SS**  trans-86.1141.4173.6-51.3167.4-178.9171.1-1.3109.6
885L31.9Very low34Very low160 Ų160139.6 Ų139.684%0.83880%0.796SS**  -178.2149.6122.9-121.372.4000115.3
886S31.6Very low33.4Very low93 Ų93139.9 Ų139.965%0.6579%0.793SS**  trans28.9111.5149.759.20000123.1
887T27.6Very low33.1Very low139 Ų139142.1 Ų142.185%0.85380%0.804SS**  9.4124.6122.1-44.10000120.4
888S33.9Very low32.8Very low116 Ų116139.5 Ų139.581%0.81180%0.797SS**  trans-164.2153.1146.854.30000112.6
889N28Very low32.3Very low159 Ų159138.7 Ų138.785%0.8580%0.795SS**  trans-103.6135.6-174.9-69.6-26.8000114.3
890S33.7Very low32.2Very low111 Ų111140.6 Ų140.678%0.77680%0.797SS**  trans-176.8111.3154.852.80000107.9
891T30.5Very low32Very low123 Ų123144.5 Ų144.576%0.75580%0.801SS**  cis69.712748.7-28.50000114.4
892V33.3Very low31.9Very low119 Ų119148.1 Ų148.172%0.72181%0.806SS**  trans72.8116.9171.6-167.70000114.8
893K35.5Very low32.1Very low197 Ų197150.5 Ų150.586%0.85781%0.81SS**  -161.7157.162.8-130.7135-161.4171.60113.4
894N30.4Very low32.3Very low146 Ų146149.2 Ų149.278%0.78180%0.8SS**  trans-78.2160.9171.1-69-18.4000112.9
895N35.2Very low33.1Very low170 Ų170143.1 Ų143.191%0.90979%0.789SS**  -152.6152.6124.3-111.5-11.2000111.9
896Q33.6Very low33.5Very low175 Ų175140.7 Ų140.782%0.81878%0.777SS**  trans-98.1162.9-175.1-62.2175.8-63.900112.6
897I33.3Very low34.2Very low158 Ų158141.3 Ų141.381%0.8177%0.772SS**  169.6106.8120.8-85.2154.2000106.7
898S30.6Very low35.3Very low103 Ų103140 Ų14072%0.7276%0.76SS**  72.3137.283.8-130.40000114.2
899S31.7Very low35.8Very low96 Ų96139.5 Ų139.567%0.67174%0.744SS**  cis-179.1124.5-18.342.70000110.9
900T34Very low36.5Very low131 Ų131137.7 Ų137.780%0.80473%0.731SS**  trans-159.1174.4164.14.90000110.6
901W30.7Very low37.3Very low249 Ų249137.2 Ų137.294%0.94372%0.719SS**  trans67.954.8-178.5-49.7102.8000115.7
902K31.9Very low37.9Very low201 Ų201142.1 Ų142.187%0.87472%0.723SS**  trans-103.5111.9147.5-90.1-164171.8-163.50109.3
903L32.7Very low38.5Very low165 Ų165145.2 Ų145.286%0.86472%0.722SS**  trans-167.6162.8152.1-130.771.9000108.7
904S37.7Very low38.8Very low89 Ų89141 Ų14162%0.62271%0.713SS**SBendtrans75.214.8171.2-1560000119.6
905T46.9Very low39.2Very low105 Ų105140 Ų14064%0.64471%0.712SS**SBendtrans-92.6-43.1160.749.20000112.3L907 L908 E909T905-L907 PolarHBondContact O-N 3.32Å; T905-L908 PolarHBondContact O-N 3.23Å; T905-L908 VanDerWaalsContact O-N 3.15Å; T905-E909 PolarHBondContact O-N 3.3Å
906D41.6Very low39.4Very low110 Ų110136.1 Ų136.159%0.58870%0.696SS**Hα-helixtrans-65.5-25.3-173.4-56-55.5000113.4Q910D906-Q910 WeakPolarHBondContact O-CB 3.44Å; D906-Q910 WeakPolarHBondContact O-CG 3.36Å; D906-Q910 PolarHBondContact O-N 3.34Å
907L45.4Very low39.7Very low105 Ų105135.4 Ų135.455%0.5569%0.693SS.*Hα-helixtrans-68.7-35.6177-159.779.8000112.1T905 Q910 I911T905-L907 PolarHBondContact O-N 3.32Å; L907-Q910 PolarHBondContact O-N 3.46Å; L907-I911 HydrophobicContact CD2-CD1 4.42Å; L907-I911 HydrophobicContact CG-CD1 4.21Å; L907-I911 WeakPolarHBondContact O-CD1 3.45Å; L907-I911 VanDerWaalsContact O-CG1 3.25Å; L907-I911 WeakPolarHBondContact O-CG1 3.04Å; L907-I911 PolarHBondContact O-N 2.95Å
908L50.5Low39.6Very low111 Ų111137.6 Ų137.658%0.58170%0.697SS**Hα-helixtrans-74.5-37179.1-84.9159.7000111.8T905 W912T905-L908 PolarHBondContact O-N 3.23Å; T905-L908 VanDerWaalsContact O-N 3.15Å; L908-W912 PolarHBondContact O-N 3.21Å; L908-W912 VanDerWaalsContact O-N 3.15Å
909E45.2Very low39.6Very low106 Ų106142.1 Ų142.150%0.49571%0.706SS.*Hα-helixtrans-68.6-31.7169.4-90.7-137.6104.300112.8T905 R913T905-E909 PolarHBondContact O-N 3.3Å; E909-R913 WeakPolarHBondContact O-CB 3.11Å; E909-R913 WeakPolarHBondContact O-CD 3.24Å; E909-R913 VanDerWaalsContact O-CG 3.23Å; E909-R913 WeakPolarHBondContact O-CG 3.28Å; E909-R913 PolarHBondContact O-N 3.26Å; E909-R913 IonicContact OE1-CZ 3.55Å; E909-R913 IonicContact OE1-NE 4Å; E909-R913 PolarHBondContact OE1-NE 3.01Å; E909-R913 IonicContact OE1-NH2 3.97Å; E909-R913 PolarHBondContact OE1-NH2 3.43Å
910Q41.9Very low39.6Very low122 Ų122141.6 Ų141.657%0.5770%0.703SS**Hα-helixtrans-69.4-46.7174.1-79.1-179.2-13.500111.9D906 L907 W912 R913 T914D906-Q910 WeakPolarHBondContact O-CB 3.44Å; D906-Q910 WeakPolarHBondContact O-CG 3.36Å; D906-Q910 PolarHBondContact O-N 3.34Å; L907-Q910 PolarHBondContact O-N 3.46Å; Q910-W912 PolarHBondContact O-N 2.87Å; Q910-R913 PolarHBondContact O-N 3.36Å; Q910-T914 PolarHBondContact O-N 2.98Å; Q910-T914 PolarHBondContact O-OG1 2.93Å
911I50.9Low39.6Very low100 Ų100145 Ų14551%0.51371%0.707SS.*Hα-helixtrans-57.9-38.1176-69.9164.1000111.3L907 R913L907-I911 HydrophobicContact CD2-CD1 4.42Å; L907-I911 HydrophobicContact CG-CD1 4.21Å; L907-I911 WeakPolarHBondContact O-CD1 3.45Å; L907-I911 VanDerWaalsContact O-CG1 3.25Å; L907-I911 WeakPolarHBondContact O-CG1 3.04Å; L907-I911 PolarHBondContact O-N 2.95Å; I911-R913 VanDerWaalsContact C-N 3.25Å; I911-R913 PolarHBondContact O-N 2.94Å
912W43.8Very low39.8Very low226 Ų226142.7 Ų142.786%0.85670%0.704SS**THydrogen-bonded Turntrans-73.6-6.4174.9-96.185.4000115.5L908 Q910L908-W912 PolarHBondContact O-N 3.21Å; L908-W912 VanDerWaalsContact O-N 3.15Å; Q910-W912 PolarHBondContact O-N 2.87Å
913R45.6Very low39.7Very low185 Ų185140.6 Ų140.670%0.69870%0.702SS**THydrogen-bonded Turntrans-115-1.4-178.5-71.7175.8-172.2-99.74.1114.2E909 Q910 I911E909-R913 WeakPolarHBondContact O-CB 3.11Å; E909-R913 WeakPolarHBondContact O-CD 3.24Å; E909-R913 VanDerWaalsContact O-CG 3.23Å; E909-R913 WeakPolarHBondContact O-CG 3.28Å; E909-R913 PolarHBondContact O-N 3.26Å; E909-R913 IonicContact OE1-CZ 3.55Å; E909-R913 IonicContact OE1-NE 4Å; E909-R913 PolarHBondContact OE1-NE 3.01Å; E909-R913 IonicContact OE1-NH2 3.97Å; E909-R913 PolarHBondContact OE1-NH2 3.43Å; Q910-R913 PolarHBondContact O-N 3.36Å; I911-R913 VanDerWaalsContact C-N 3.25Å; I911-R913 PolarHBondContact O-N 2.94Å
914T41.9Very low39.8Very low107 Ų107138.6 Ų138.666%0.65670%0.699SS**SBendtrans-128.236.4-173.565.50000115.4Q910Q910-T914 PolarHBondContact O-N 2.98Å; Q910-T914 PolarHBondContact O-OG1 2.93Å
915T39.1Very low39.7Very low125 Ų125138.9 Ų138.977%0.76770%0.701SS**  trans-138.8114163.2-44.20000110.1
916P39.1Very low39Very low89 Ų89142 Ų14258%0.57871%0.713SS**  trans-92.2177.8-178.937.8-35.8000113.2
917H38.5Very low38.7Very low161 Ų161141.4 Ų141.475%0.74572%0.724SS**  trans52.693.1170.4-67.8-80.1000116.5
918F31.5Very low38.3Very low203 Ų203142 Ų14289%0.8974%0.736SS**  -15311184.5-119.9-85.6000111.7
919Q30.7Very low37.6Very low198 Ų198142.3 Ų142.393%0.92574%0.743SS**  trans-14577.7-179.8-166.2165.913.200112.1
920S33.1Very low37.1Very low86 Ų86142.7 Ų142.760%0.60176%0.764SS**  trans-159.794.7169.659.50000111.2
921F34Very low36.8Very low202 Ų202140.7 Ų140.789%0.88677%0.769SS**SBendtrans-173.3150.4145-90.8-57.9000108.5
922F33.7Very low36Very low201 Ų201140.9 Ų140.988%0.88279%0.785SS**  trans69.860.9-171.9-54.3-70.6000116.6
923D30.7Very low35.7Very low156 Ų156134.1 Ų134.183%0.83478%0.778SS**  trans-67.1130.4144.3-112.4-44.9000109.9
924P34Very low35.3Very low123 Ų123130.6 Ų130.680%0.79978%0.781SS**  trans-108.480176.237-28.7000112.2
925S35.3Very low35.1Very low95 Ų95129.9 Ų129.966%0.66478%0.781SS**  trans-150.5172.6170.578.90000114.2
926L33.6Very low35Very low170 Ų170129.4 Ų129.489%0.8978%0.783SS**  trans67.973.6172.3-68.4161.1000118.2
927A34.3Very low34.9Very low99 Ų99129.3 Ų129.382%0.81878%0.784SS**  trans-153.354.3153.200000113.3
928S37.4Very low34.8Very low116 Ų116131.8 Ų131.881%0.81179%0.788SS**  trans-159.7156.1171-860000113.4
929T36.5Very low35.1Very low119 Ų119128.8 Ų128.873%0.7378%0.78SS**  trans73.986.1174.8-36.60000116.1A931T929-A931 HydrophobicContact CG2-CB 4.49Å
930A33.1Very low35.4Very low113 Ų113123.7 Ų123.793%0.93477%0.766SS**  trans-105.385.7155.600000109.2
931A35.2Very low35.8Very low81 Ų81127.4 Ų127.467%0.66977%0.774SS**  trans-152.4126.5178.100000112.3T929T929-A931 HydrophobicContact CG2-CB 4.49Å
932A34.2Very low36.1Very low103 Ų103123.4 Ų123.485%0.85177%0.771SS**  trans43.5107160.400000119.7
933A37.5Very low36.3Very low85 Ų85117.2 Ų117.270%0.70276%0.764SS**  trans-130.1136.7145.200000108.7
934S37.2Very low36.8Very low110 Ų110115.7 Ų115.777%0.76976%0.76SS**  trans-144.5169.4-175.661.60000111.3
935S38.1Very low37.2Very low92 Ų92118.2 Ų118.264%0.64376%0.759SS**  trans70.1113-166.977.30000112.6
936S38.1Very low37.4Very low116 Ų116119.7 Ų119.781%0.81176%0.759SS**  86.4139.870.7-74.10000112.3
937S37.2Very low37.8Very low86 Ų86118.5 Ų118.560%0.60175%0.749SS**  cis-170.2167.92.738.60000111.7
938Y35.6Very low38Very low213 Ų213119.2 Ų119.284%0.83574%0.739SS**  trans71.6150.3174.4-58.2-77.6000115
939I36.9Very low38.2Very low140 Ų140121 Ų12172%0.71873%0.734SS**  cis-149.9145.39.9-138.5156.1000111.1
940S38Very low38.4Very low91 Ų91120.6 Ų120.664%0.63674%0.737SS**  trans54.7152.5158.3-62.70000121
941Q40.8Very low38.7Very low165 Ų165125.7 Ų125.777%0.77173%0.732SS**  cis-161.3161.2-10.5-112.8167.766.100109.5
942S39.9Very low39.1Very low117 Ų117128.4 Ų128.482%0.81873%0.731SS**  trans22.9133.815958.70000121
943G38.7Very low39.5Very low72 Ų72131.8 Ų131.874%0.74273%0.729SS**  cis176.1-163.810.800000107.6
944V42Very low40Very low124 Ų124132.7 Ų132.775%0.75273%0.728SS**  cis-157.7128.113.4165.70000109.9
945K41.4Very low40.2Very low176 Ų176135.1 Ų135.177%0.76573%0.731SS**  trans51.1122.2151.3-63.3172.9-174.7175.30123.2
946N40Very low40.7Very low126 Ų126136.3 Ų136.367%0.67474%0.736SS**  76.2153.3118.4-655.4000121
947Q41.3Very low41.3Very low144 Ų144135.9 Ų135.967%0.67373%0.731SS**  cis-164.3154.5-3.2-121.2169.3-700112.5
948N39.1Very low41.6Very low114 Ų114139 Ų13961%0.6175%0.746SS**  trans61.3159.8146.4-64.1-19.8000119.9
949Q41.6Very low41.9Very low153 Ų153132.3 Ų132.372%0.71574%0.743SS**  cis-160.1129.7-17.4-105.9161.915.600106.9
950S40.4Very low42Very low112 Ų112133.2 Ų133.278%0.78375%0.749SS**  83.8102.778-56.50000117.7
951R40.3Very low42.2Very low219 Ų219134.6 Ų134.683%0.82675%0.754SS**  trans-160.8119.2146.4-104.4-165.4143.9171.5-3.3109.9
952Q41.9Very low42.1Very low139 Ų139134 Ų13465%0.6575%0.754SS**  70129.390.1-68.7175.2-9.400113.8
953Q42.8Very low42.1Very low174 Ų174135.5 Ų135.581%0.81375%0.752SS**  cis-159.1167.72.4-121.5170.3-300112.3
954P48.2Very low42.4Very low104 Ų104141 Ų14168%0.67576%0.757SS**  trans-134164.8-165.443.2-28000119.5
955L41.5Very low42.7Very low161 Ų161139.9 Ų139.984%0.84375%0.753SS**  trans64.1176.7155.4-69.3166.2000117.4
956P48.7Very low42.6Very low116 Ų116137.1 Ų137.175%0.75376%0.756SS**  cis-131-171.20.344.1-27.1000115.5
957P51.4Low42.8Very low108 Ų108135.9 Ų135.970%0.70176%0.757SS**  trans-112.3-174.7175.340.6-32.5000116
958T41.9Very low42.9Very low150 Ų150137.3 Ų137.392%0.9276%0.763SS**  trans94144.1172.470.70000118.6
959G43.1Very low43Very low74 Ų74136.1 Ų136.176%0.76376%0.764SS**  trans142.8127175.100000114.3
960D39.4Very low43.3Very low159 Ų159137.5 Ų137.585%0.8577%0.77SS**  trans-105.8169.8-173.4-60.2-80.9000114.7
961T41.2Very low43.3Very low119 Ų119139 Ų13973%0.7377%0.769SS**  trans118.696.4140.7-46.80000119.3
962I39.6Very low43.4Very low152 Ų152137.7 Ų137.778%0.77977%0.769SS**  trans44.6145.1134.2-30.2170.7000122.1
963I39Very low43.7Very low149 Ų149144 Ų14476%0.76480%0.798SS**  trans116.685.9148.7-53.5-178.3000116.8
964H45Very low43.8Very low187 Ų187142.5 Ų142.587%0.86680%0.798SS**  trans61.7161.5130.9-98.9-121000122.6
965P49.5Very low43.5Very low102 Ų102144.5 Ų144.566%0.66280%0.804SS**  trans-120.3180-15144.9-36.6000115
966S39.7Very low43.6Very low117 Ų117143.6 Ų143.682%0.81880%0.802SS**  -169160.8124.9-84.20000113.7
967S43Very low43.3Very low100 Ų100145.2 Ų145.270%0.69981%0.805SS**  trans-53.4147.917453.10000116.1
968H42.6Very low42.8Very low175 Ų175147.5 Ų147.581%0.8181%0.811SS**  -161.1170.2101.6-132.2-92.3000114
969S42.5Very low42.9Very low89 Ų89147.3 Ų147.362%0.62280%0.804SS**  trans-102.9148.5-179.451.90000113.9
970Q47.3Very low42.9Very low181 Ų181152.6 Ų152.685%0.84681%0.807SS**  trans-179126.6138.5-97.4175.48100107.2
971L40.2Very low43.1Very low143 Ų143152.1 Ų152.175%0.74980%0.804SS**  86.7113.264.4-102.2168.1000113.8
972K43.9Very low43.3Very low192 Ų192154.8 Ų154.884%0.83581%0.81SS**  trans68.6142.5173.4-53.8178-179.5-178.10114.3
973E47.5Very low43.7Very low271 Ų271155.1 Ų155.1100%1.26681%0.813SS**  cis-98.5012-65.9174.6110.900115

Retrieved 973 of 973 residues in 169 ms (Link to these results)

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