A0A087Y609_POEFO Loading...

ATP-dependent NAD(P)H-hydrate dehydratase

AlphaFold DB , UniProt , Accession A0A087Y609, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 472 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M34Very low48.6Very low249 Ų249135.9 Ų135.9100%1.22772%0.716SS**  0138.90-68.3158.2173.200107.2
2Q30.4Very low51.9Low183 Ų183128.7 Ų128.786%0.85569%0.685SS**  trans-114.8113.9-178.5-75.9175-16.200109.6N4Q2-N4 PolarHBondContact O-N 3.22Å
3S37.6Very low54.6Low106 Ų106123.9 Ų123.974%0.74166%0.66SS**  trans-84.197.2175.940.10000110.1T5S3-T5 VanDerWaalsContact C-N 3.35Å; S3-T5 PolarHBondContact O-N 3.37Å; S3-T5 PolarHBondContact O-OG1 3.45Å
4N33.2Very low57.1Low115 Ų115123.1 Ų123.162%0.61565%0.654SS**  trans-78.182.7177.8-78.82.9000111.3Q2 T6Q2-N4 PolarHBondContact O-N 3.22Å; N4-T6 PolarHBondContact O-N 3.4Å
5T41.7Very low59.4Low133 Ų133115.5 Ų115.582%0.81661%0.613SS**THydrogen-bonded Turntrans-6961.6176.8-46.90000112.2S3S3-T5 VanDerWaalsContact C-N 3.35Å; S3-T5 PolarHBondContact O-N 3.37Å; S3-T5 PolarHBondContact O-OG1 3.45Å
6T36.4Very low61.5Low129 Ų129108.3 Ų108.379%0.79158%0.575SS**THydrogen-bonded Turntrans-152.36.6178.9-21.40000113.5N4 G8N4-T6 PolarHBondContact O-N 3.4Å; T6-G8 VanDerWaalsContact C-N 3.28Å; T6-G8 PolarHBondContact O-N 2.76Å
7R51.2Low63.3Low161 Ų161107.9 Ų107.961%0.60856%0.563SS**  trans-78-1.2-178.2-76.9-175.3171.7169.7-1.9115.4F9 L10 R56R7-F9 VanDerWaalsContact C-N 3.26Å; R7-F9 PolarHBondContact O-N 3.42Å; R7-L10 PolarHBondContact O-N 2.94Å; R7-R56 PolarHBondContact O-NH1 2.98Å; R7-R56 PolarHBondContact O-NH2 3.13Å
8G49.2Very low65Low50 Ų50103.1 Ų103.152%0.51554%0.54SS..SBendtrans-50-38-169.300000115.7T6 R56T6-G8 VanDerWaalsContact C-N 3.28Å; T6-G8 PolarHBondContact O-N 2.76Å; G8-R56 PolarHBondContact O-NH1 3.47Å
9F57Low66.5Low190 Ų19097.7 Ų97.783%0.83351%0.511SS*.SBendtrans-101.3-27.3-175.8-152.3-100.9000115.1R7R7-F9 VanDerWaalsContact C-N 3.26Å; R7-F9 PolarHBondContact O-N 3.42Å
10L77.8Confident67.9Low136 Ų13692.8 Ų92.871%0.71249%0.486SS*.  trans-96.2115-173.8-65.9178.3000111.2R7 R56R7-L10 PolarHBondContact O-N 2.94Å; L10-R56 PolarHBondContact O-NH2 3.31Å
11W86.1Confident69.2Low43 Ų4393 Ų9316%0.16349%0.487CS..  trans-93.2125.5172.1-74.679.7000110.4E15 L19 L49 R56 Q60 R64W11-E15 WeakPolarHBondContact CA-OE2 3.45Å; W11-E15 HydrophobicContact CE3-CG 3.77Å; W11-E15 HydrophobicContact CZ3-CG 3.98Å; W11-L19 HydrophobicContact CE3-CD2 4.4Å; W11-L19 HydrophobicContact CH2-CD2 3.78Å; W11-L19 HydrophobicContact CZ3-CB 4.28Å; W11-L19 HydrophobicContact CZ3-CD2 3.62Å; W11-L19 HydrophobicContact CZ3-CG 4.47Å; W11-L49 HydrophobicContact CH2-CD2 4.22Å; W11-L49 HydrophobicContact CZ3-CD2 4.11Å; W11-R56 HydrophobicContact CH2-CB 4.17Å; W11-R56 HydrophobicContact CH2-CG 3.63Å; W11-R56 HydrophobicContact CZ2-CG 4.06Å; W11-R56 HydrophobicContact CZ3-CG 4.09Å; W11-Q60 HydrophobicContact CZ2-CB 4.19Å; W11-Q60 WeakPolarHBondContact CZ2-O 3.34Å; W11-R64 VanDerWaalsContact CB-CZ 3.45Å; W11-R64 HydrophobicContact CD2-CB 4.31Å; W11-R64 HydrophobicContact CD2-CG 3.7Å; W11-R64 HydrophobicContact CE3-CG 3.87Å; W11-R64 HydrophobicContact CG-CG 4.29Å; W11-R64 HydrophobicContact CH2-CB 4Å; W11-R64 HydrophobicContact CH2-CG 4.05Å; W11-R64 HydrophobicContact CZ2-CB 3.58Å; W11-R64 HydrophobicContact CZ2-CG 3.86Å; W11-R64 HydrophobicContact CZ3-CG 4.06Å
12S88.9Confident72Confident49 Ų4981.3 Ų81.334%0.34343%0.43SS..  trans-80.4158.4176.966.50000112.6I14 E15 T16S12-I14 VanDerWaalsContact C-N 3.26Å; S12-I14 PolarHBondContact O-N 3.07Å; S12-E15 PolarHBondContact N-OE2 3.2Å; S12-E15 WeakPolarHBondContact OG-CB 3.26Å; S12-E15 PolarHBondContact OG-N 3.04Å; S12-E15 PolarHBondContact OG-OE2 3.35Å; S12-T16 WeakPolarHBondContact O-CB 3.3Å; S12-T16 PolarHBondContact O-N 3.41Å; S12-T16 PolarHBondContact O-OG1 3.32Å
13D87.1Confident75.1Confident67 Ų6772.7 Ų72.736%0.35839%0.389SS..Hα-helixtrans-65.6-27.7-179.7-81.35.7000112.4R17 K91 F92D13-R17 WeakPolarHBondContact O-CD 3.48Å; D13-R17 VanDerWaalsContact O-CG 3.24Å; D13-R17 WeakPolarHBondContact O-CG 3.46Å; D13-R17 PolarHBondContact O-N 2.91Å; D13-R17 PolarHBondContact O-NE 3.38Å; D13-K91 IonicContact OD1-NZ 3.17Å; D13-K91 PolarHBondContact OD1-NZ 3.01Å; D13-K91 IonicContact OD2-NZ 2.74Å; D13-K91 PolarHBondContact OD2-NZ 3.02Å; D13-F92 HydrophobicContact CB-CZ 4.33Å
14I89Confident77.6Confident113 Ų11369 Ų6958%0.57937%0.368SS*.Hα-helixtrans-77.6-49.6176.4-173.6165.4000111.5S12 T16 R17 T18 F54S12-I14 VanDerWaalsContact C-N 3.26Å; S12-I14 PolarHBondContact O-N 3.07Å; I14-T16 VanDerWaalsContact C-N 3.27Å; I14-T16 PolarHBondContact O-N 3.43Å; I14-R17 WeakPolarHBondContact O-CA 3.39Å; I14-R17 WeakPolarHBondContact O-CB 3.32Å; I14-R17 PolarHBondContact O-N 3.15Å; I14-T18 PolarHBondContact O-N 2.98Å; I14-T18 PolarHBondContact O-OG1 2.89Å; I14-F54 HydrophobicContact CG1-CZ 4.43Å; I14-F54 HydrophobicContact CG2-CE1 4.3Å; I14-F54 HydrophobicContact CG2-CZ 4.02Å
15E91.6Very high80.4Confident8 Ų867 Ų674%0.03736%0.355CS..Hα-helixtrans-56.4-38.8174178.8-179.4-150.200112.7W11 S12 T18 L19 F54 R56W11-E15 WeakPolarHBondContact CA-OE2 3.45Å; W11-E15 HydrophobicContact CE3-CG 3.77Å; W11-E15 HydrophobicContact CZ3-CG 3.98Å; S12-E15 PolarHBondContact N-OE2 3.2Å; S12-E15 WeakPolarHBondContact OG-CB 3.26Å; S12-E15 PolarHBondContact OG-N 3.04Å; S12-E15 PolarHBondContact OG-OE2 3.35Å; E15-T18 PolarHBondContact O-N 3.35Å; E15-L19 WeakPolarHBondContact O-CB 3.49Å; E15-L19 PolarHBondContact O-N 3.38Å; E15-F54 HydrophobicContact CB-CD1 3.63Å; E15-F54 HydrophobicContact CB-CE1 3.68Å; E15-F54 HydrophobicContact CB-CG 4.12Å; E15-F54 HydrophobicContact CB-CZ 4.21Å; E15-F54 HydrophobicContact CG-CB 4.08Å; E15-F54 HydrophobicContact CG-CD1 3.62Å; E15-F54 HydrophobicContact CG-CE1 4.21Å; E15-F54 HydrophobicContact CG-CG 3.88Å; E15-R56 VanDerWaalsContact CD-NH2 3.33Å; E15-R56 IonicContact OE1-CZ 3.32Å; E15-R56 IonicContact OE1-NE 3.44Å; E15-R56 PolarHBondContact OE1-NE 3.41Å; E15-R56 IonicContact OE1-NH2 2.68Å; E15-R56 PolarHBondContact OE1-NH2 2.8Å; E15-R56 IonicContact OE2-NH2 2.81Å; E15-R56 PolarHBondContact OE2-NH2 3.15Å
16T92.5Very high82.7Confident0 Ų067.5 Ų67.50%035%0.348CS..Hα-helixtrans-67.2-36.9175.7-55.60000111.7S12 I14 L20 R64 L68 F92S12-T16 WeakPolarHBondContact O-CB 3.3Å; S12-T16 PolarHBondContact O-N 3.41Å; S12-T16 PolarHBondContact O-OG1 3.32Å; I14-T16 VanDerWaalsContact C-N 3.27Å; I14-T16 PolarHBondContact O-N 3.43Å; T16-L20 HydrophobicContact CG2-CD1 4.43Å; T16-L20 WeakPolarHBondContact O-CB 3.47Å; T16-L20 WeakPolarHBondContact O-CG 3.38Å; T16-L20 PolarHBondContact O-N 2.97Å; T16-R64 PolarHBondContact OG1-NH2 3.42Å; T16-L68 HydrophobicContact CG2-CD1 3.77Å; T16-L68 HydrophobicContact CG2-CD2 4.13Å; T16-F92 HydrophobicContact CG2-CD1 4.42Å; T16-F92 HydrophobicContact CG2-CD2 3.92Å; T16-F92 HydrophobicContact CG2-CE1 4.13Å; T16-F92 HydrophobicContact CG2-CE2 3.59Å; T16-F92 HydrophobicContact CG2-CG 4.33Å; T16-F92 HydrophobicContact CG2-CZ 3.72Å
17R92.7Very high85.3Confident102 Ų10265.2 Ų65.239%0.38533%0.331SS..Hα-helixtrans-68.4-42.6173.1-69.1166-161.1-80.7-3.7111D13 I14 L19 L20 N21 F92 I95D13-R17 WeakPolarHBondContact O-CD 3.48Å; D13-R17 VanDerWaalsContact O-CG 3.24Å; D13-R17 WeakPolarHBondContact O-CG 3.46Å; D13-R17 PolarHBondContact O-N 2.91Å; D13-R17 PolarHBondContact O-NE 3.38Å; I14-R17 WeakPolarHBondContact O-CA 3.39Å; I14-R17 WeakPolarHBondContact O-CB 3.32Å; I14-R17 PolarHBondContact O-N 3.15Å; R17-L19 PolarHBondContact O-N 2.94Å; R17-L20 PolarHBondContact O-N 3.2Å; R17-N21 WeakPolarHBondContact O-CB 3.33Å; R17-N21 PolarHBondContact O-N 3.34Å; R17-N21 PolarHBondContact O-OD1 3.36Å; R17-F92 HydrophobicContact CG-CD1 3.96Å; R17-F92 HydrophobicContact CG-CE1 3.87Å; R17-I95 HydrophobicContact CG-CD1 4.11Å
18T93.3Very high87.3Confident22 Ų2257.8 Ų57.814%0.13530%0.303CS..Hα-helixtrans-59.6-46.1175.8-55.20000111.7I14 E15 L20 N21 I22 L49 M52 F54I14-T18 PolarHBondContact O-N 2.98Å; I14-T18 PolarHBondContact O-OG1 2.89Å; E15-T18 PolarHBondContact O-N 3.35Å; T18-L20 PolarHBondContact O-N 2.96Å; T18-N21 PolarHBondContact O-N 3.43Å; T18-I22 HydrophobicContact CG2-CD1 3.96Å; T18-I22 WeakPolarHBondContact O-CD1 3.42Å; T18-I22 WeakPolarHBondContact O-CG1 3.29Å; T18-I22 PolarHBondContact O-N 3.28Å; T18-I22 VanDerWaalsContact O-N 3.08Å; T18-L49 HydrophobicContact CG2-CD1 3.63Å; T18-M52 HydrophobicContact CG2-CB 3.69Å; T18-M52 HydrophobicContact CG2-CG 3.66Å; T18-M52 HydrophobicContact CG2-SD 4.48Å; T18-F54 HydrophobicContact CG2-CD2 4.29Å; T18-F54 HydrophobicContact CG2-CE2 4.42Å
19L94.9Very high89.3Confident0 Ų056.3 Ų56.30%028%0.283CS..Hα-helixtrans-58.7-45.6173.7174.367.4000112.1W11 E15 R17 W23 V45 L49 C61 R64 I65W11-L19 HydrophobicContact CE3-CD2 4.4Å; W11-L19 HydrophobicContact CH2-CD2 3.78Å; W11-L19 HydrophobicContact CZ3-CB 4.28Å; W11-L19 HydrophobicContact CZ3-CD2 3.62Å; W11-L19 HydrophobicContact CZ3-CG 4.47Å; E15-L19 WeakPolarHBondContact O-CB 3.49Å; E15-L19 PolarHBondContact O-N 3.38Å; R17-L19 PolarHBondContact O-N 2.94Å; L19-W23 VanDerWaalsContact O-CB 3.24Å; L19-W23 WeakPolarHBondContact O-CB 3.44Å; L19-W23 PolarHBondContact O-N 2.93Å; L19-V45 HydrophobicContact CD1-CG1 3.66Å; L19-L49 HydrophobicContact CB-CD1 4.46Å; L19-L49 HydrophobicContact CB-CD2 4.2Å; L19-L49 HydrophobicContact CD1-CD2 4.06Å; L19-C61 HydrophobicContact CD1-CB 3.91Å; L19-R64 HydrophobicContact CD2-CB 3.82Å; L19-R64 HydrophobicContact CD2-CG 3.48Å; L19-R64 VanDerWaalsContact CD2-CG 3.48Å; L19-I65 HydrophobicContact CD1-CD1 3.93Å; L19-I65 HydrophobicContact CD1-CG1 4.41Å; L19-I65 HydrophobicContact CD2-CD1 4.47Å; L19-I65 HydrophobicContact CD2-CG1 4.08Å; L19-I65 HydrophobicContact CG-CD1 4.25Å; L19-I65 HydrophobicContact CG-CG1 4.23Å
20L94.3Very high90.8Very high0 Ų051.4 Ų51.40%027%0.269CS..Hα-helixtrans-68.8-37.3-179.4-73.9177.9000112.8T16 R17 T18 W23 G24 L68 F92 I95 M96 I99T16-L20 HydrophobicContact CG2-CD1 4.43Å; T16-L20 WeakPolarHBondContact O-CB 3.47Å; T16-L20 WeakPolarHBondContact O-CG 3.38Å; T16-L20 PolarHBondContact O-N 2.97Å; R17-L20 PolarHBondContact O-N 3.2Å; T18-L20 PolarHBondContact O-N 2.96Å; L20-W23 HydrophobicContact CD2-CE3 3.92Å; L20-W23 HydrophobicContact CD2-CZ3 4.44Å; L20-W23 PolarHBondContact O-N 3.24Å; L20-G24 PolarHBondContact O-N 3.41Å; L20-L68 HydrophobicContact CD1-CD1 4.29Å; L20-L68 HydrophobicContact CD2-CD1 3.95Å; L20-L68 HydrophobicContact CG-CD1 4.16Å; L20-F92 HydrophobicContact CD1-CB 3.69Å; L20-F92 HydrophobicContact CD1-CG 4.1Å; L20-I95 HydrophobicContact CB-CG2 3.84Å; L20-I95 HydrophobicContact CD1-CG2 4.25Å; L20-M96 HydrophobicContact CD1-CG 4.37Å; L20-M96 HydrophobicContact CD1-SD 4.1Å; L20-M96 HydrophobicContact CD2-SD 3.45Å; L20-M96 WeakPolarHBondContact CD2-SD 3.27Å; L20-M96 HydrophobicContact CG-SD 4.44Å; L20-I99 VanDerWaalsContact O-CD1 3.26Å; L20-I99 WeakPolarHBondContact O-CD1 3.43Å
21N93.8Very high91.2Very high97 Ų9746.4 Ų46.452%0.51925%0.247SC..Hα-helixtrans-60.7-52.5174.6-70.50.1000110.3R17 T18 W23 G24 E25R17-N21 WeakPolarHBondContact O-CB 3.33Å; R17-N21 PolarHBondContact O-N 3.34Å; R17-N21 PolarHBondContact O-OD1 3.36Å; T18-N21 PolarHBondContact O-N 3.43Å; N21-W23 VanDerWaalsContact C-N 3.34Å; N21-W23 PolarHBondContact O-N 3.27Å; N21-G24 CarbonylContact O-C 3.5Å; N21-G24 WeakPolarHBondContact O-CA 3.26Å; N21-G24 PolarHBondContact O-N 3.07Å; N21-E25 PolarHBondContact O-N 2.87Å
22I93.8Very high91.3Very high4 Ų445.8 Ų45.82%0.02125%0.247CC..Hα-helixtrans-59.6-44.3177.5-65.7162.9000110.9T18 G24 E25 V45 R48 L49T18-I22 HydrophobicContact CG2-CD1 3.96Å; T18-I22 WeakPolarHBondContact O-CD1 3.42Å; T18-I22 WeakPolarHBondContact O-CG1 3.29Å; T18-I22 PolarHBondContact O-N 3.28Å; T18-I22 VanDerWaalsContact O-N 3.08Å; I22-G24 PolarHBondContact O-N 2.92Å; I22-E25 WeakPolarHBondContact O-CB 3.45Å; I22-E25 PolarHBondContact O-N 3.47Å; I22-E25 VanDerWaalsContact O-N 3.14Å; I22-V45 HydrophobicContact CG2-CB 4.35Å; I22-V45 HydrophobicContact CG2-CG1 4.07Å; I22-V45 HydrophobicContact CG2-CG2 4.21Å; I22-R48 HydrophobicContact CD1-CB 3.83Å; I22-R48 HydrophobicContact CG1-CB 4.25Å; I22-R48 HydrophobicContact CG2-CB 3.9Å; I22-R48 HydrophobicContact CG2-CG 4.46Å; I22-L49 HydrophobicContact CD1-CB 4.11Å; I22-L49 HydrophobicContact CD1-CD1 4.38Å
23W94.4Very high91Very high1 Ų148 Ų480%0.00426%0.255CS..Hα-helixtrans-66.2-24.3177.6178.659.6000113.2L19 L20 N21 Q29 I65 M96 I99 L100L19-W23 VanDerWaalsContact O-CB 3.24Å; L19-W23 WeakPolarHBondContact O-CB 3.44Å; L19-W23 PolarHBondContact O-N 2.93Å; L20-W23 HydrophobicContact CD2-CE3 3.92Å; L20-W23 HydrophobicContact CD2-CZ3 4.44Å; L20-W23 PolarHBondContact O-N 3.24Å; N21-W23 VanDerWaalsContact C-N 3.34Å; N21-W23 PolarHBondContact O-N 3.27Å; W23-Q29 VanDerWaalsContact CE2-NE2 3.33Å; W23-Q29 PolarHBondContact O-NE2 2.87Å; W23-I65 HydrophobicContact CB-CD1 3.88Å; W23-I65 HydrophobicContact CD2-CD1 4.26Å; W23-I65 HydrophobicContact CD2-CG1 4.38Å; W23-I65 HydrophobicContact CD2-CG2 4.03Å; W23-I65 HydrophobicContact CE3-CG2 4.43Å; W23-I65 HydrophobicContact CG-CD1 3.62Å; W23-I65 HydrophobicContact CG-CG1 4.2Å; W23-I65 HydrophobicContact CG-CG2 4.48Å; W23-I65 HydrophobicContact CZ2-CG2 4.26Å; W23-M96 HydrophobicContact CZ3-CE 4.28Å; W23-M96 HydrophobicContact CZ3-SD 4.29Å; W23-I99 HydrophobicContact CE3-CD1 3.94Å; W23-I99 HydrophobicContact CE3-CG2 4Å; W23-I99 HydrophobicContact CH2-CG2 3.7Å; W23-I99 HydrophobicContact CZ2-CG2 4.34Å; W23-I99 HydrophobicContact CZ3-CB 4.12Å; W23-I99 HydrophobicContact CZ3-CD1 4.08Å; W23-I99 HydrophobicContact CZ3-CG2 3.52Å; W23-L100 HydrophobicContact CH2-CD2 4.02Å; W23-L100 HydrophobicContact CH2-CG 4.41Å
24G90.9Very high90.2Very high29 Ų2949 Ų4930%0.29928%0.28SS..THydrogen-bonded Turntrans-82.5-5.8173.900000115L20 N21 I22L20-G24 PolarHBondContact O-N 3.41Å; N21-G24 CarbonylContact O-C 3.5Å; N21-G24 WeakPolarHBondContact O-CA 3.26Å; N21-G24 PolarHBondContact O-N 3.07Å; I22-G24 PolarHBondContact O-N 2.92Å
25E92.9Very high89.7Confident73 Ų7345.9 Ų45.934%0.34127%0.265SS..SBendtrans-64.8141178.5-68171172.100110.8N21 I22 D27 I28 Q29 R48N21-E25 PolarHBondContact O-N 2.87Å; I22-E25 WeakPolarHBondContact O-CB 3.45Å; I22-E25 PolarHBondContact O-N 3.47Å; I22-E25 VanDerWaalsContact O-N 3.14Å; E25-D27 VanDerWaalsContact C-N 3.31Å; E25-D27 WeakPolarHBondContact CB-OD1 3.36Å; E25-D27 PolarHBondContact O-N 3.44Å; E25-I28 HydrophobicContact CB-CG1 4.25Å; E25-I28 PolarHBondContact O-N 3.11Å; E25-I28 VanDerWaalsContact O-N 3.16Å; E25-Q29 PolarHBondContact O-N 3.01Å; E25-R48 IonicContact OE2-CZ 3.67Å; E25-R48 IonicContact OE2-NH1 3.68Å; E25-R48 PolarHBondContact OE2-NH1 3.03Å
26Q89.5Confident88.7Confident144 Ų14453 Ų5367%0.67330%0.296SS*.Hα-helixtrans-63.3-35.6-169.5-179.3606400112.9Q29 T30Q26-Q29 PolarHBondContact O-N 2.79Å; Q26-T30 PolarHBondContact NE2-OG1 3.11Å; Q26-T30 WeakPolarHBondContact O-CB 3.22Å; Q26-T30 PolarHBondContact O-N 3.22Å; Q26-T30 PolarHBondContact O-OG1 2.81Å; Q26-T30 VanDerWaalsContact O-OG1 3.1Å
27D90.6Very high88.1Confident80 Ų8062 Ų6243%0.42833%0.33SS..Hα-helixtrans-68-41.2176.264.3-36.2000111.7E25 T30 A31 R48E25-D27 VanDerWaalsContact C-N 3.31Å; E25-D27 WeakPolarHBondContact CB-OD1 3.36Å; E25-D27 PolarHBondContact O-N 3.44Å; D27-T30 PolarHBondContact O-N 2.87Å; D27-A31 VanDerWaalsContact O-CB 3.25Å; D27-A31 WeakPolarHBondContact O-CB 3.46Å; D27-A31 PolarHBondContact O-N 3.21Å; D27-R48 IonicContact OD1-NH1 3.72Å; D27-R48 PolarHBondContact OD1-NH1 3.22Å; D27-R48 IonicContact OD2-CZ 3.84Å; D27-R48 VanDerWaalsContact OD2-CZ 3.26Å; D27-R48 IonicContact OD2-NH1 2.68Å; D27-R48 PolarHBondContact OD2-NH1 3.2Å; D27-R48 IonicContact OD2-NH2 3.18Å; D27-R48 PolarHBondContact OD2-NH2 2.98Å
28I92.3Very high87.9Confident5 Ų557.8 Ų57.83%0.02632%0.315CS..Hα-helixtrans-64.5-44.5173.1-59.9-58.2000110.9E25 A31 L32 V41 V45E25-I28 HydrophobicContact CB-CG1 4.25Å; E25-I28 PolarHBondContact O-N 3.11Å; E25-I28 VanDerWaalsContact O-N 3.16Å; I28-A31 PolarHBondContact O-N 3.2Å; I28-L32 HydrophobicContact CG2-CD1 4.22Å; I28-L32 VanDerWaalsContact O-CG 3.28Å; I28-L32 WeakPolarHBondContact O-CG 3.11Å; I28-L32 PolarHBondContact O-N 3.44Å; I28-L32 VanDerWaalsContact O-N 3.09Å; I28-V41 HydrophobicContact CD1-CG1 4.05Å; I28-V41 HydrophobicContact CG2-CG1 3.92Å; I28-V45 HydrophobicContact CD1-CG2 4.01Å; I28-V45 HydrophobicContact CG1-CG2 4.34Å; I28-V45 HydrophobicContact CG2-CG2 3.87Å
29Q92.2Very high87.6Confident19 Ų1960.8 Ų60.89%0.08934%0.337CS..Hα-helixtrans-64.5-39.5177.4-76.8-64.3-40.400113W23 E25 Q26 D33 R103W23-Q29 VanDerWaalsContact CE2-NE2 3.33Å; W23-Q29 PolarHBondContact O-NE2 2.87Å; E25-Q29 PolarHBondContact O-N 3.01Å; Q26-Q29 PolarHBondContact O-N 2.79Å; Q29-D33 PolarHBondContact O-N 2.94Å; Q29-R103 PolarHBondContact O-NH2 3.21Å
30T88.3Confident87.4Confident87 Ų8765.6 Ų65.653%0.53436%0.358SS..Hα-helixtrans-70.7-37.8174.9-67.20000112Q26 D27 L32 D33Q26-T30 PolarHBondContact NE2-OG1 3.11Å; Q26-T30 WeakPolarHBondContact O-CB 3.22Å; Q26-T30 PolarHBondContact O-N 3.22Å; Q26-T30 PolarHBondContact O-OG1 2.81Å; Q26-T30 VanDerWaalsContact O-OG1 3.1Å; D27-T30 PolarHBondContact O-N 2.87Å; T30-L32 VanDerWaalsContact C-N 3.26Å; T30-L32 PolarHBondContact O-N 3.44Å; T30-D33 WeakPolarHBondContact O-CB 3.34Å; T30-D33 PolarHBondContact O-N 2.8Å; T30-D33 VanDerWaalsContact O-N 3.12Å
31A86.1Confident87.3Confident31 Ų3165.7 Ų65.726%0.25636%0.359SS..Hα-helixtrans-69.9-21.8177.300000113.9D27 I28 N35 V41D27-A31 VanDerWaalsContact O-CB 3.25Å; D27-A31 WeakPolarHBondContact O-CB 3.46Å; D27-A31 PolarHBondContact O-N 3.21Å; I28-A31 PolarHBondContact O-N 3.2Å; A31-N35 PolarHBondContact O-ND2 3.38Å; A31-N35 VanDerWaalsContact O-ND2 3.15Å; A31-V41 HydrophobicContact CB-CG1 4.28Å; A31-V41 HydrophobicContact CB-CG2 3.78Å
32L87.6Confident87.3Confident30 Ų3062.1 Ų62.116%0.15734%0.338CS..THydrogen-bonded Turntrans-84.8-11.7171.3-69.9176.4000113.7I28 T30 N38 V41 Y42I28-L32 HydrophobicContact CG2-CD1 4.22Å; I28-L32 VanDerWaalsContact O-CG 3.28Å; I28-L32 WeakPolarHBondContact O-CG 3.11Å; I28-L32 PolarHBondContact O-N 3.44Å; I28-L32 VanDerWaalsContact O-N 3.09Å; T30-L32 VanDerWaalsContact C-N 3.26Å; T30-L32 PolarHBondContact O-N 3.44Å; L32-N38 HydrophobicContact CD2-CB 3.65Å; L32-V41 HydrophobicContact CD2-CB 4.1Å; L32-V41 HydrophobicContact CD2-CG1 4.01Å; L32-V41 HydrophobicContact CD2-CG2 4.31Å; L32-V41 HydrophobicContact CG-CG1 4.06Å; L32-Y42 HydrophobicContact CD2-CE2 4.01Å
33D82.9Confident87.3Confident97 Ų9769.2 Ų69.252%0.51937%0.365SS..THydrogen-bonded Turntrans-77.4126.3-171.4-146.840.9000111.7Q29 T30 N35 R103Q29-D33 PolarHBondContact O-N 2.94Å; T30-D33 WeakPolarHBondContact O-CB 3.34Å; T30-D33 PolarHBondContact O-N 2.8Å; T30-D33 VanDerWaalsContact O-N 3.12Å; D33-N35 PolarHBondContact O-N 3.29Å; D33-R103 IonicContact OD1-CZ 3.2Å; D33-R103 IonicContact OD1-NH1 2.75Å; D33-R103 PolarHBondContact OD1-NH1 3.1Å; D33-R103 IonicContact OD1-NH2 2.7Å; D33-R103 PolarHBondContact OD1-NH2 3.26Å
34G71.5Confident87.3Confident86 Ų8670.9 Ų70.989%0.88737%0.374SS*.THydrogen-bonded Turntrans59.86.8-175.400000116.1
35N78.4Confident87.6Confident48 Ų4869.6 Ų69.626%0.25736%0.36SS..  trans-109.6104.9-163.5-171.7-0.3000113.8A31 D33 R37 N38A31-N35 PolarHBondContact O-ND2 3.38Å; A31-N35 VanDerWaalsContact O-ND2 3.15Å; D33-N35 PolarHBondContact O-N 3.29Å; N35-R37 PolarHBondContact OD1-N 3.21Å; N35-N38 PolarHBondContact O-ND2 3.14Å
36F70.4Confident87.7Confident159 Ų15967.1 Ų67.170%0.69735%0.351SS*.THydrogen-bonded Turntrans-71.6-23.5176.763.5-80.1000114N38F36-N38 VanDerWaalsContact C-N 3.35Å; F36-N38 PolarHBondContact O-N 3.25Å
37R80Confident88Confident189 Ų18967.8 Ų67.871%0.71335%0.347SS*.THydrogen-bonded Turntrans-95.645.3-179.7-72.4-176.4171.8-179.2-2.8113N35 S39 F40N35-R37 PolarHBondContact OD1-N 3.21Å; R37-S39 VanDerWaalsContact C-N 3.27Å; R37-S39 PolarHBondContact O-N 2.9Å; R37-S39 VanDerWaalsContact O-N 3.13Å; R37-F40 VanDerWaalsContact O-CD1 3.29Å; R37-F40 WeakPolarHBondContact O-CD1 3.22Å; R37-F40 WeakPolarHBondContact O-CE1 3.47Å
38N87.6Confident88.3Confident13 Ų1367.3 Ų67.37%0.0734%0.339CS..THydrogen-bonded Turntrans-74.89-173.250.562.7000117.1L32 N35 F36 F40 V41 Y42L32-N38 HydrophobicContact CD2-CB 3.65Å; N35-N38 PolarHBondContact O-ND2 3.14Å; F36-N38 VanDerWaalsContact C-N 3.35Å; F36-N38 PolarHBondContact O-N 3.25Å; N38-F40 VanDerWaalsContact C-N 3.33Å; N38-F40 PolarHBondContact O-N 3.25Å; N38-V41 HydrophobicContact CB-CG2 4.35Å; N38-V41 WeakPolarHBondContact O-CB 3.2Å; N38-V41 PolarHBondContact O-N 3.49Å; N38-Y42 HydrophobicContact CB-CE2 4.28Å; N38-Y42 WeakPolarHBondContact O-CD2 3.44Å; N38-Y42 PolarHBondContact O-N 3.31Å; N38-Y42 WeakPolarHBondContact OD1-CE2 3.23Å
39S87.2Confident88.4Confident84 Ų8467 Ų6759%0.58734%0.338SS*.Hα-helixtrans-54.6-44.8-179.6176.30000113.1R37 V41 Y42 R43R37-S39 VanDerWaalsContact C-N 3.27Å; R37-S39 PolarHBondContact O-N 2.9Å; R37-S39 VanDerWaalsContact O-N 3.13Å; S39-V41 PolarHBondContact O-N 3.49Å; S39-Y42 PolarHBondContact O-N 2.98Å; S39-R43 PolarHBondContact O-N 3.07Å
40F90.6Very high88.5Confident101 Ų10167.6 Ų67.644%0.44335%0.349SS..Hα-helixtrans-62-27.5178.772.3-87.6000113.4R37 N38 D44R37-F40 VanDerWaalsContact O-CD1 3.29Å; R37-F40 WeakPolarHBondContact O-CD1 3.22Å; R37-F40 WeakPolarHBondContact O-CE1 3.47Å; N38-F40 VanDerWaalsContact C-N 3.33Å; N38-F40 PolarHBondContact O-N 3.25Å; F40-D44 PolarHBondContact O-N 3.29Å
41V92.9Very high88.7Confident3 Ų367.8 Ų67.82%0.01836%0.359CS..Hα-helixtrans-72-47.6177.7-169.40000110I28 A31 L32 N38 S39 R43 D44 V45I28-V41 HydrophobicContact CD1-CG1 4.05Å; I28-V41 HydrophobicContact CG2-CG1 3.92Å; A31-V41 HydrophobicContact CB-CG1 4.28Å; A31-V41 HydrophobicContact CB-CG2 3.78Å; L32-V41 HydrophobicContact CD2-CB 4.1Å; L32-V41 HydrophobicContact CD2-CG1 4.01Å; L32-V41 HydrophobicContact CD2-CG2 4.31Å; L32-V41 HydrophobicContact CG-CG1 4.06Å; N38-V41 HydrophobicContact CB-CG2 4.35Å; N38-V41 WeakPolarHBondContact O-CB 3.2Å; N38-V41 PolarHBondContact O-N 3.49Å; S39-V41 PolarHBondContact O-N 3.49Å; V41-R43 PolarHBondContact O-N 3.08Å; V41-D44 PolarHBondContact O-N 2.82Å; V41-V45 WeakPolarHBondContact O-CG2 3.36Å; V41-V45 PolarHBondContact O-N 3.17Å
42Y94.1Very high88.9Confident22 Ų2272.1 Ų72.19%0.08638%0.375CS..Hα-helixtrans-64.5-28.9175.8-70.6-74.7000112.4L32 N38 S39 S46 R62 I65L32-Y42 HydrophobicContact CD2-CE2 4.01Å; N38-Y42 HydrophobicContact CB-CE2 4.28Å; N38-Y42 WeakPolarHBondContact O-CD2 3.44Å; N38-Y42 PolarHBondContact O-N 3.31Å; N38-Y42 WeakPolarHBondContact OD1-CE2 3.23Å; S39-Y42 PolarHBondContact O-N 2.98Å; Y42-S46 VanDerWaalsContact O-CB 3.25Å; Y42-S46 WeakPolarHBondContact O-CB 3.39Å; Y42-S46 PolarHBondContact O-N 2.98Å; Y42-R62 HydrophobicContact CD1-CB 3.72Å; Y42-R62 HydrophobicContact CD1-CG 4.28Å; Y42-R62 HydrophobicContact CD2-CB 4.25Å; Y42-R62 HydrophobicContact CD2-CG 4.13Å; Y42-R62 HydrophobicContact CE1-CB 3.8Å; Y42-R62 HydrophobicContact CE1-CG 3.99Å; Y42-R62 HydrophobicContact CE2-CB 4.33Å; Y42-R62 HydrophobicContact CE2-CG 3.85Å; Y42-R62 HydrophobicContact CG-CB 3.96Å; Y42-R62 HydrophobicContact CG-CG 4.35Å; Y42-I65 HydrophobicContact CE1-CD1 3.9Å
43R94Very high89Confident153 Ų15373.4 Ų73.458%0.57740%0.396SS*.Hα-helixtrans-63.6-39.1170.1-173.8175.363.5-176.7-0.3112.6S39 V41 R47 P58S39-R43 PolarHBondContact O-N 3.07Å; V41-R43 PolarHBondContact O-N 3.08Å; R43-R47 PolarHBondContact O-N 3Å; R43-R47 VanDerWaalsContact O-N 3.12Å; R43-P58 HydrophobicContact CB-CG 4.3Å
44D94.4Very high89.4Confident36 Ų3670.4 Ų70.419%0.19338%0.379CS..Hα-helixtrans-76.9-37.3176-158.756.9000112.6F40 V41 S46 R47 R48F40-D44 PolarHBondContact O-N 3.29Å; V41-D44 PolarHBondContact O-N 2.82Å; D44-S46 VanDerWaalsContact C-N 3.34Å; D44-S46 PolarHBondContact O-N 3.07Å; D44-R47 WeakPolarHBondContact O-CB 3.28Å; D44-R47 PolarHBondContact O-N 3.18Å; D44-R47 IonicContact OD1-CZ 3.75Å; D44-R47 IonicContact OD1-NH1 2.75Å; D44-R47 PolarHBondContact OD1-NH1 3.05Å; D44-R48 WeakPolarHBondContact O-CG 3.49Å; D44-R48 PolarHBondContact O-N 3.02Å; D44-R48 IonicContact OD2-CZ 2.67Å; D44-R48 IonicContact OD2-NE 3.26Å; D44-R48 PolarHBondContact OD2-NE 3.18Å; D44-R48 IonicContact OD2-NH2 2.7Å; D44-R48 PolarHBondContact OD2-NH2 3.03Å
45V95.5Very high90.3Very high1 Ų174.9 Ų74.91%0.00638%0.377CS..Hα-helixtrans-58-45.5170.8173.40000111.1L19 I22 I28 V41 R48 L49 C61L19-V45 HydrophobicContact CD1-CG1 3.66Å; I22-V45 HydrophobicContact CG2-CB 4.35Å; I22-V45 HydrophobicContact CG2-CG1 4.07Å; I22-V45 HydrophobicContact CG2-CG2 4.21Å; I28-V45 HydrophobicContact CD1-CG2 4.01Å; I28-V45 HydrophobicContact CG1-CG2 4.34Å; I28-V45 HydrophobicContact CG2-CG2 3.87Å; V41-V45 WeakPolarHBondContact O-CG2 3.36Å; V41-V45 PolarHBondContact O-N 3.17Å; V45-R48 PolarHBondContact O-N 2.66Å; V45-L49 VanDerWaalsContact O-CB 3.26Å; V45-L49 WeakPolarHBondContact O-CB 3.42Å; V45-L49 PolarHBondContact O-N 3.3Å; V45-C61 HydrophobicContact CG1-CB 4.42Å
46S95.9Very high90.8Very high22 Ų2273.3 Ų73.315%0.15437%0.367CS..Hα-helixtrans-58.6-45173.81650000111.9Y42 D44 L49 G50 R56Y42-S46 VanDerWaalsContact O-CB 3.25Å; Y42-S46 WeakPolarHBondContact O-CB 3.39Å; Y42-S46 PolarHBondContact O-N 2.98Å; D44-S46 VanDerWaalsContact C-N 3.34Å; D44-S46 PolarHBondContact O-N 3.07Å; S46-L49 PolarHBondContact O-N 3.13Å; S46-G50 PolarHBondContact O-N 3.13Å; S46-R56 PolarHBondContact OG-O 3.41Å
47R96Very high91.9Very high158 Ų15868.3 Ų68.360%0.59635%0.35SS*.Hα-helixtrans-61.4-48.8175.6-178.6-167-70.2149.8-13112.6R43 D44 L49 G50 A51R43-R47 PolarHBondContact O-N 3Å; R43-R47 VanDerWaalsContact O-N 3.12Å; D44-R47 WeakPolarHBondContact O-CB 3.28Å; D44-R47 PolarHBondContact O-N 3.18Å; D44-R47 IonicContact OD1-CZ 3.75Å; D44-R47 IonicContact OD1-NH1 2.75Å; D44-R47 PolarHBondContact OD1-NH1 3.05Å; R47-L49 VanDerWaalsContact C-N 3.31Å; R47-L49 PolarHBondContact O-N 3.34Å; R47-G50 PolarHBondContact O-N 2.68Å; R47-A51 PolarHBondContact O-N 2.88Å
48R96Very high92.4Very high69 Ų6960.5 Ų60.526%0.2632%0.324SS..Hα-helixtrans-62.2-38.5177.8-68.8179.6-161.6-161.15.5111.3I22 E25 D27 D44 V45 A51 M52I22-R48 HydrophobicContact CD1-CB 3.83Å; I22-R48 HydrophobicContact CG1-CB 4.25Å; I22-R48 HydrophobicContact CG2-CB 3.9Å; I22-R48 HydrophobicContact CG2-CG 4.46Å; E25-R48 IonicContact OE2-CZ 3.67Å; E25-R48 IonicContact OE2-NH1 3.68Å; E25-R48 PolarHBondContact OE2-NH1 3.03Å; D27-R48 IonicContact OD1-NH1 3.72Å; D27-R48 PolarHBondContact OD1-NH1 3.22Å; D27-R48 IonicContact OD2-CZ 3.84Å; D27-R48 VanDerWaalsContact OD2-CZ 3.26Å; D27-R48 IonicContact OD2-NH1 2.68Å; D27-R48 PolarHBondContact OD2-NH1 3.2Å; D27-R48 IonicContact OD2-NH2 3.18Å; D27-R48 PolarHBondContact OD2-NH2 2.98Å; D44-R48 WeakPolarHBondContact O-CG 3.49Å; D44-R48 PolarHBondContact O-N 3.02Å; D44-R48 IonicContact OD2-CZ 2.67Å; D44-R48 IonicContact OD2-NE 3.26Å; D44-R48 PolarHBondContact OD2-NE 3.18Å; D44-R48 IonicContact OD2-NH2 2.7Å; D44-R48 PolarHBondContact OD2-NH2 3.03Å; V45-R48 PolarHBondContact O-N 2.66Å; R48-A51 PolarHBondContact O-N 3.37Å; R48-M52 WeakPolarHBondContact O-CG 3.38Å; R48-M52 PolarHBondContact O-N 2.85Å
49L94.9Very high92.6Very high0 Ų065.1 Ų65.10%035%0.345CS..Hα-helixtrans-69.2-38.7176.8-174.259.2000111.9W11 T18 L19 I22 V45 S46 R47 M52 F54 R56W11-L49 HydrophobicContact CH2-CD2 4.22Å; W11-L49 HydrophobicContact CZ3-CD2 4.11Å; T18-L49 HydrophobicContact CG2-CD1 3.63Å; L19-L49 HydrophobicContact CB-CD1 4.46Å; L19-L49 HydrophobicContact CB-CD2 4.2Å; L19-L49 HydrophobicContact CD1-CD2 4.06Å; I22-L49 HydrophobicContact CD1-CB 4.11Å; I22-L49 HydrophobicContact CD1-CD1 4.38Å; V45-L49 VanDerWaalsContact O-CB 3.26Å; V45-L49 WeakPolarHBondContact O-CB 3.42Å; V45-L49 PolarHBondContact O-N 3.3Å; S46-L49 PolarHBondContact O-N 3.13Å; R47-L49 VanDerWaalsContact C-N 3.31Å; R47-L49 PolarHBondContact O-N 3.34Å; L49-M52 WeakPolarHBondContact O-CB 3.16Å; L49-M52 PolarHBondContact O-N 3.12Å; L49-F54 CarbonylContact C-O 3.57Å; L49-F54 HydrophobicContact CD1-CB 3.8Å; L49-F54 HydrophobicContact CD1-CD2 4.03Å; L49-F54 HydrophobicContact CD1-CG 4.26Å; L49-F54 HydrophobicContact CG-CB 3.84Å; L49-F54 PolarHBondContact O-N 3.15Å; L49-F54 VanDerWaalsContact O-N 3.11Å; L49-R56 HydrophobicContact CD2-CB 4.11Å; L49-R56 HydrophobicContact CD2-CG 4.03Å
50G93.6Very high92.7Very high30 Ų3064.3 Ų64.331%0.30933%0.331SS..Hα-helixtrans-62.1-41.2171.300000113S46 R47 M52 G53 F54S46-G50 PolarHBondContact O-N 3.13Å; R47-G50 PolarHBondContact O-N 2.68Å; G50-M52 PolarHBondContact O-N 3.37Å; G50-G53 WeakPolarHBondContact O-CA 3.48Å; G50-G53 PolarHBondContact O-N 2.99Å; G50-F54 WeakPolarHBondContact CA-O 3.41Å; G50-F54 PolarHBondContact N-O 3.33Å
51A93.3Very high92.8Very high91 Ų9159.5 Ų59.575%0.75231%0.31SS*.Hα-helixtrans-62.7-24.4174.500000113.3R47 R48 G53R47-A51 PolarHBondContact O-N 2.88Å; R48-A51 PolarHBondContact O-N 3.37Å; A51-G53 VanDerWaalsContact C-N 3.27Å
52M90.1Very high92.7Very high122 Ų12264.4 Ų64.460%0.60133%0.329SS*.THydrogen-bonded Turntrans-84.15.9171.6-65.9-77.8-172.400113.5T18 R48 L49 G50 F54T18-M52 HydrophobicContact CG2-CB 3.69Å; T18-M52 HydrophobicContact CG2-CG 3.66Å; T18-M52 HydrophobicContact CG2-SD 4.48Å; R48-M52 WeakPolarHBondContact O-CG 3.38Å; R48-M52 PolarHBondContact O-N 2.85Å; L49-M52 WeakPolarHBondContact O-CB 3.16Å; L49-M52 PolarHBondContact O-N 3.12Å; G50-M52 PolarHBondContact O-N 3.37Å; M52-F54 HydrophobicContact CB-CD2 4.03Å; M52-F54 HydrophobicContact CB-CE2 4.42Å; M52-F54 WeakPolarHBondContact O-CD2 3.33Å; M52-F54 WeakPolarHBondContact O-CE2 3.38Å
53G90.2Very high92.5Very high58 Ų5868.1 Ų68.160%0.59835%0.353SS*.THydrogen-bonded Turntrans87.216.3179.400000115.3G50 A51G50-G53 WeakPolarHBondContact O-CA 3.48Å; G50-G53 PolarHBondContact O-N 2.99Å; A51-G53 VanDerWaalsContact C-N 3.27Å
54F91.1Very high92.4Very high33 Ų3363 Ų6315%0.14533%0.334CS..  trans-120.692-178.3-59.1-74.2000111.5I14 E15 T18 L49 G50 M52 R56I14-F54 HydrophobicContact CG1-CZ 4.43Å; I14-F54 HydrophobicContact CG2-CE1 4.3Å; I14-F54 HydrophobicContact CG2-CZ 4.02Å; E15-F54 HydrophobicContact CB-CD1 3.63Å; E15-F54 HydrophobicContact CB-CE1 3.68Å; E15-F54 HydrophobicContact CB-CG 4.12Å; E15-F54 HydrophobicContact CB-CZ 4.21Å; E15-F54 HydrophobicContact CG-CB 4.08Å; E15-F54 HydrophobicContact CG-CD1 3.62Å; E15-F54 HydrophobicContact CG-CE1 4.21Å; E15-F54 HydrophobicContact CG-CG 3.88Å; T18-F54 HydrophobicContact CG2-CD2 4.29Å; T18-F54 HydrophobicContact CG2-CE2 4.42Å; L49-F54 CarbonylContact C-O 3.57Å; L49-F54 HydrophobicContact CD1-CB 3.8Å; L49-F54 HydrophobicContact CD1-CD2 4.03Å; L49-F54 HydrophobicContact CD1-CG 4.26Å; L49-F54 HydrophobicContact CG-CB 3.84Å; L49-F54 PolarHBondContact O-N 3.15Å; L49-F54 VanDerWaalsContact O-N 3.11Å; G50-F54 WeakPolarHBondContact CA-O 3.41Å; G50-F54 PolarHBondContact N-O 3.33Å; M52-F54 HydrophobicContact CB-CD2 4.03Å; M52-F54 HydrophobicContact CB-CE2 4.42Å; M52-F54 WeakPolarHBondContact O-CD2 3.33Å; M52-F54 WeakPolarHBondContact O-CE2 3.38Å; F54-R56 PolarHBondContact O-N 2.9Å
55E90.8Very high92.3Very high181 Ų18161.5 Ų61.585%0.84633%0.326SS*.  trans-70113177.6-66.5176.2170.800111.4
56R89.2Confident92Very high14 Ų1468.8 Ų68.85%0.05336%0.357CS..  trans-144.7142.4177.1-66.6-66.2-179.7-179.7-4.5110.4R7 G8 L10 W11 E15 S46 L49 F54 Q60R7-R56 PolarHBondContact O-NH1 2.98Å; R7-R56 PolarHBondContact O-NH2 3.13Å; G8-R56 PolarHBondContact O-NH1 3.47Å; L10-R56 PolarHBondContact O-NH2 3.31Å; W11-R56 HydrophobicContact CH2-CB 4.17Å; W11-R56 HydrophobicContact CH2-CG 3.63Å; W11-R56 HydrophobicContact CZ2-CG 4.06Å; W11-R56 HydrophobicContact CZ3-CG 4.09Å; E15-R56 VanDerWaalsContact CD-NH2 3.33Å; E15-R56 IonicContact OE1-CZ 3.32Å; E15-R56 IonicContact OE1-NE 3.44Å; E15-R56 PolarHBondContact OE1-NE 3.41Å; E15-R56 IonicContact OE1-NH2 2.68Å; E15-R56 PolarHBondContact OE1-NH2 2.8Å; E15-R56 IonicContact OE2-NH2 2.81Å; E15-R56 PolarHBondContact OE2-NH2 3.15Å; S46-R56 PolarHBondContact OG-O 3.41Å; L49-R56 HydrophobicContact CD2-CB 4.11Å; L49-R56 HydrophobicContact CD2-CG 4.03Å; F54-R56 PolarHBondContact O-N 2.9Å; R56-Q60 VanDerWaalsContact CD-OE1 3.25Å
57T92.5Very high91.7Very high55 Ų5570.2 Ų70.234%0.33737%0.368SS..  trans-72.6160.2175.487.80000111.4E59 Q60 C61T57-E59 WeakPolarHBondContact CB-OE2 3.43Å; T57-E59 PolarHBondContact O-N 3.01Å; T57-E59 PolarHBondContact OG1-N 2.94Å; T57-E59 PolarHBondContact OG1-OE2 3.11Å; T57-Q60 HydrophobicContact CG2-CG 4.36Å; T57-Q60 PolarHBondContact O-N 3.32Å; T57-Q60 WeakPolarHBondContact OG1-CG 3.31Å; T57-Q60 PolarHBondContact OG1-N 2.87Å; T57-C61 PolarHBondContact O-N 2.97Å; T57-C61 VanDerWaalsContact O-N 3.07Å; T57-C61 PolarHBondContact O-SG 3.19Å
58P91.7Very high91.4Very high25 Ų2562.7 Ų62.716%0.16234%0.339CS..Hα-helixtrans-56.4-38.5175.4-24.335.5000112.7R43 C61 R62R43-P58 HydrophobicContact CB-CG 4.3Å; P58-C61 WeakPolarHBondContact O-CB 3.42Å; P58-C61 PolarHBondContact O-N 3.07Å; P58-R62 WeakPolarHBondContact O-CB 3.47Å; P58-R62 PolarHBondContact O-N 2.99Å
59E90.4Very high91.1Very high110 Ų11062.1 Ų62.151%0.51434%0.339SS..Hα-helixtrans-68.7-44-179.4-54.762.8-125.600110.2T57 C61 R62 V63T57-E59 WeakPolarHBondContact CB-OE2 3.43Å; T57-E59 PolarHBondContact O-N 3.01Å; T57-E59 PolarHBondContact OG1-N 2.94Å; T57-E59 PolarHBondContact OG1-OE2 3.11Å; E59-C61 VanDerWaalsContact C-N 3.28Å; E59-C61 PolarHBondContact O-N 3.24Å; E59-R62 PolarHBondContact O-N 2.92Å; E59-V63 WeakPolarHBondContact O-CB 3.44Å; E59-V63 VanDerWaalsContact O-CG2 3.3Å; E59-V63 WeakPolarHBondContact O-CG2 3.15Å; E59-V63 PolarHBondContact O-N 3.25Å
60Q90Very high90.6Very high66 Ų6670.6 Ų70.631%0.30837%0.371SS..Hα-helixtrans-58.7-41.9174-69.1175.11.100111.1W11 R56 T57 R64W11-Q60 HydrophobicContact CZ2-CB 4.19Å; W11-Q60 WeakPolarHBondContact CZ2-O 3.34Å; R56-Q60 VanDerWaalsContact CD-OE1 3.25Å; T57-Q60 HydrophobicContact CG2-CG 4.36Å; T57-Q60 PolarHBondContact O-N 3.32Å; T57-Q60 WeakPolarHBondContact OG1-CG 3.31Å; T57-Q60 PolarHBondContact OG1-N 2.87Å; Q60-R64 VanDerWaalsContact O-CB 3.24Å; Q60-R64 WeakPolarHBondContact O-CB 3.29Å; Q60-R64 PolarHBondContact O-N 3.07Å
61C91.9Very high90.2Very high0 Ų072.8 Ų72.80%037%0.373CS..Hα-helixtrans-63.7-47.3175.2-61.40000111.6L19 V45 T57 P58 E59 R64 I65L19-C61 HydrophobicContact CD1-CB 3.91Å; V45-C61 HydrophobicContact CG1-CB 4.42Å; T57-C61 PolarHBondContact O-N 2.97Å; T57-C61 VanDerWaalsContact O-N 3.07Å; T57-C61 PolarHBondContact O-SG 3.19Å; P58-C61 WeakPolarHBondContact O-CB 3.42Å; P58-C61 PolarHBondContact O-N 3.07Å; E59-C61 VanDerWaalsContact C-N 3.28Å; E59-C61 PolarHBondContact O-N 3.24Å; C61-R64 PolarHBondContact O-N 3.07Å; C61-I65 WeakPolarHBondContact O-CG1 3.38Å; C61-I65 PolarHBondContact O-N 2.72Å
62R91.6Very high89.8Confident107 Ų10768.6 Ų68.640%0.40434%0.337SS..Hα-helixtrans-60.7-45.7177.9-172174.8-178-163.40.9112.2Y42 P58 E59 I65 K66Y42-R62 HydrophobicContact CD1-CB 3.72Å; Y42-R62 HydrophobicContact CD1-CG 4.28Å; Y42-R62 HydrophobicContact CD2-CB 4.25Å; Y42-R62 HydrophobicContact CD2-CG 4.13Å; Y42-R62 HydrophobicContact CE1-CB 3.8Å; Y42-R62 HydrophobicContact CE1-CG 3.99Å; Y42-R62 HydrophobicContact CE2-CB 4.33Å; Y42-R62 HydrophobicContact CE2-CG 3.85Å; Y42-R62 HydrophobicContact CG-CB 3.96Å; Y42-R62 HydrophobicContact CG-CG 4.35Å; P58-R62 WeakPolarHBondContact O-CB 3.47Å; P58-R62 PolarHBondContact O-N 2.99Å; E59-R62 PolarHBondContact O-N 2.92Å; R62-I65 PolarHBondContact O-N 3.12Å; R62-K66 WeakPolarHBondContact O-CB 3.25Å; R62-K66 PolarHBondContact O-N 3.13Å
63V90Very high89.4Confident100 Ų10066 Ų6661%0.60633%0.326SS*.Hα-helixtrans-64.5-41.9176.7170.30000111.1E59 K66 S67E59-V63 WeakPolarHBondContact O-CB 3.44Å; E59-V63 VanDerWaalsContact O-CG2 3.3Å; E59-V63 WeakPolarHBondContact O-CG2 3.15Å; E59-V63 PolarHBondContact O-N 3.25Å; V63-K66 PolarHBondContact O-N 3.13Å; V63-S67 WeakPolarHBondContact O-CB 3.4Å; V63-S67 PolarHBondContact O-N 3.07Å
64R92.1Very high89Confident46 Ų4667.3 Ų67.317%0.17432%0.319CS..Hα-helixtrans-63-45.4176.7-176.360.9170.2177.2-2.5111.8W11 T16 L19 Q60 C61 S67 L68W11-R64 VanDerWaalsContact CB-CZ 3.45Å; W11-R64 HydrophobicContact CD2-CB 4.31Å; W11-R64 HydrophobicContact CD2-CG 3.7Å; W11-R64 HydrophobicContact CE3-CG 3.87Å; W11-R64 HydrophobicContact CG-CG 4.29Å; W11-R64 HydrophobicContact CH2-CB 4Å; W11-R64 HydrophobicContact CH2-CG 4.05Å; W11-R64 HydrophobicContact CZ2-CB 3.58Å; W11-R64 HydrophobicContact CZ2-CG 3.86Å; W11-R64 HydrophobicContact CZ3-CG 4.06Å; T16-R64 PolarHBondContact OG1-NH2 3.42Å; L19-R64 HydrophobicContact CD2-CB 3.82Å; L19-R64 HydrophobicContact CD2-CG 3.48Å; L19-R64 VanDerWaalsContact CD2-CG 3.48Å; Q60-R64 VanDerWaalsContact O-CB 3.24Å; Q60-R64 WeakPolarHBondContact O-CB 3.29Å; Q60-R64 PolarHBondContact O-N 3.07Å; C61-R64 PolarHBondContact O-N 3.07Å; R64-S67 WeakPolarHBondContact O-CB 3.26Å; R64-S67 PolarHBondContact O-N 2.77Å; R64-L68 HydrophobicContact CG-CD1 3.93Å; R64-L68 VanDerWaalsContact O-CG 3.3Å; R64-L68 WeakPolarHBondContact O-CG 3.17Å; R64-L68 PolarHBondContact O-N 3.04Å
65I91.7Very high88.4Confident3 Ų366 Ų662%0.01531%0.314CS..Hα-helixtrans-63.7-43175.8-71.5158.4000111.2L19 W23 Y42 C61 R62 S67 L68 K69L19-I65 HydrophobicContact CD1-CD1 3.93Å; L19-I65 HydrophobicContact CD1-CG1 4.41Å; L19-I65 HydrophobicContact CD2-CD1 4.47Å; L19-I65 HydrophobicContact CD2-CG1 4.08Å; L19-I65 HydrophobicContact CG-CD1 4.25Å; L19-I65 HydrophobicContact CG-CG1 4.23Å; W23-I65 HydrophobicContact CB-CD1 3.88Å; W23-I65 HydrophobicContact CD2-CD1 4.26Å; W23-I65 HydrophobicContact CD2-CG1 4.38Å; W23-I65 HydrophobicContact CD2-CG2 4.03Å; W23-I65 HydrophobicContact CE3-CG2 4.43Å; W23-I65 HydrophobicContact CG-CD1 3.62Å; W23-I65 HydrophobicContact CG-CG1 4.2Å; W23-I65 HydrophobicContact CG-CG2 4.48Å; W23-I65 HydrophobicContact CZ2-CG2 4.26Å; Y42-I65 HydrophobicContact CE1-CD1 3.9Å; C61-I65 WeakPolarHBondContact O-CG1 3.38Å; C61-I65 PolarHBondContact O-N 2.72Å; R62-I65 PolarHBondContact O-N 3.12Å; I65-S67 VanDerWaalsContact C-N 3.3Å; I65-S67 PolarHBondContact O-N 2.93Å; I65-L68 PolarHBondContact O-N 3.23Å; I65-K69 HydrophobicContact CG2-CG 4.48Å; I65-K69 WeakPolarHBondContact O-CG 3.41Å; I65-K69 PolarHBondContact O-N 3.37Å
66K89.9Confident87.7Confident154 Ų15461.9 Ų61.967%0.6729%0.293SS*.Hα-helixtrans-58.8-40.9174.8-172.1171-177.7172.40111.8R62 V63 R70R62-K66 WeakPolarHBondContact O-CB 3.25Å; R62-K66 PolarHBondContact O-N 3.13Å; V63-K66 PolarHBondContact O-N 3.13Å; K66-R70 PolarHBondContact O-N 3.37Å
67S89.2Confident86.8Confident53 Ų5368 Ų6837%0.37132%0.323SS..Hα-helixtrans-65.9-44.8175.6-168.50000112.5V63 R64 I65 R70 Q71V63-S67 WeakPolarHBondContact O-CB 3.4Å; V63-S67 PolarHBondContact O-N 3.07Å; R64-S67 WeakPolarHBondContact O-CB 3.26Å; R64-S67 PolarHBondContact O-N 2.77Å; I65-S67 VanDerWaalsContact C-N 3.3Å; I65-S67 PolarHBondContact O-N 2.93Å; S67-R70 PolarHBondContact O-N 3.03Å; S67-Q71 WeakPolarHBondContact O-CG 3.42Å; S67-Q71 PolarHBondContact O-N 3.14Å
68L90.2Very high85.4Confident0 Ų067 Ų670%032%0.323CS..Hα-helixtrans-66.4-40.1178.6-69.6163.2000112.4T16 L20 R64 I65 R70 Q71 Y72 F92 M96T16-L68 HydrophobicContact CG2-CD1 3.77Å; T16-L68 HydrophobicContact CG2-CD2 4.13Å; L20-L68 HydrophobicContact CD1-CD1 4.29Å; L20-L68 HydrophobicContact CD2-CD1 3.95Å; L20-L68 HydrophobicContact CG-CD1 4.16Å; R64-L68 HydrophobicContact CG-CD1 3.93Å; R64-L68 VanDerWaalsContact O-CG 3.3Å; R64-L68 WeakPolarHBondContact O-CG 3.17Å; R64-L68 PolarHBondContact O-N 3.04Å; I65-L68 PolarHBondContact O-N 3.23Å; L68-R70 VanDerWaalsContact C-N 3.33Å; L68-R70 PolarHBondContact O-N 3.39Å; L68-Q71 PolarHBondContact O-N 2.89Å; L68-Y72 PolarHBondContact O-N 2.99Å; L68-F92 HydrophobicContact CD2-CD2 3.91Å; L68-F92 HydrophobicContact CD2-CE2 4.43Å; L68-M96 HydrophobicContact CB-CE 4.33Å; L68-M96 HydrophobicContact CB-SD 3.97Å
69K89Confident83.6Confident57 Ų5770.1 Ų70.125%0.24834%0.338CS..Hα-helixtrans-56-45.9170.7-76-172.3178.2-168.70111.4I65 Q71 Y72 L73 M96I65-K69 HydrophobicContact CG2-CG 4.48Å; I65-K69 WeakPolarHBondContact O-CG 3.41Å; I65-K69 PolarHBondContact O-N 3.37Å; K69-Q71 PolarHBondContact O-N 3.25Å; K69-Y72 PolarHBondContact O-N 3.11Å; K69-L73 WeakPolarHBondContact O-CG 3.24Å; K69-L73 PolarHBondContact O-N 3.2Å; K69-M96 HydrophobicContact CB-CE 4.36Å; K69-M96 HydrophobicContact CG-CE 3.89Å
70R85.3Confident81.7Confident177 Ų17772.9 Ų72.967%0.66836%0.356SS*.Hα-helixtrans-63.3-40.4176.8-170.9177.7-177.1-120.5-1.4112.5K66 S67 L68 L74K66-R70 PolarHBondContact O-N 3.37Å; S67-R70 PolarHBondContact O-N 3.03Å; L68-R70 VanDerWaalsContact C-N 3.33Å; L68-R70 PolarHBondContact O-N 3.39Å; R70-L74 HydrophobicContact CG-CD1 4.09Å; R70-L74 VanDerWaalsContact O-CG 3.31Å; R70-L74 WeakPolarHBondContact O-CG 3.22Å; R70-L74 PolarHBondContact O-N 2.75Å
71Q83.3Confident80Confident76 Ų7680.3 Ų80.336%0.35538%0.381SS..Hα-helixtrans-65.7-39.7176-71.8-179.7-11.800112.6S67 L68 K69 A75S67-Q71 WeakPolarHBondContact O-CG 3.42Å; S67-Q71 PolarHBondContact O-N 3.14Å; L68-Q71 PolarHBondContact O-N 2.89Å; K69-Q71 PolarHBondContact O-N 3.25Å; Q71-A75 WeakPolarHBondContact O-CB 3.1Å; Q71-A75 PolarHBondContact O-N 2.96Å; Q71-A75 VanDerWaalsContact O-N 3.11Å
72Y85.6Confident78.1Confident3 Ų385.2 Ų85.21%0.01241%0.407CS..Hα-helixtrans-63.1-48.6174.3172.8-103.8000111.6L68 K69 L74 A75 K76 Y93 M96 E97 L100L68-Y72 PolarHBondContact O-N 2.99Å; K69-Y72 PolarHBondContact O-N 3.11Å; Y72-L74 PolarHBondContact O-N 2.68Å; Y72-A75 PolarHBondContact O-N 3.18Å; Y72-K76 HydrophobicContact CE1-CD 3.89Å; Y72-K76 WeakPolarHBondContact O-CB 3.23Å; Y72-K76 PolarHBondContact O-N 3.16Å; Y72-K76 WeakPolarHBondContact OH-CD 3.28Å; Y72-K76 WeakPolarHBondContact OH-CE 3.35Å; Y72-K76 PolarHBondContact OH-NZ 2.75Å; Y72-Y93 AromaticContact CD2-CD2 3.62Å; Y72-Y93 HydrophobicContact CD2-CD2 3.62Å; Y72-Y93 AromaticContact CD2-CE2 3.57Å; Y72-Y93 HydrophobicContact CD2-CE2 3.57Å; Y72-Y93 HydrophobicContact CD2-CG 4.3Å; Y72-Y93 AromaticContact CE2-CD2 3.83Å; Y72-Y93 HydrophobicContact CE2-CD2 3.83Å; Y72-Y93 HydrophobicContact CE2-CE1 4.15Å; Y72-Y93 AromaticContact CE2-CE2 3.4Å; Y72-Y93 HydrophobicContact CE2-CE2 3.4Å; Y72-Y93 HydrophobicContact CE2-CG 4.35Å; Y72-Y93 AromaticContact CE2-CZ 3.54Å; Y72-M96 HydrophobicContact CD2-CB 3.63Å; Y72-M96 HydrophobicContact CE2-CB 4.33Å; Y72-M96 HydrophobicContact CG-CB 3.84Å; Y72-E97 HydrophobicContact CE2-CB 3.78Å; Y72-E97 HydrophobicContact CE2-CG 4.31Å; Y72-E97 PolarHBondContact OH-OE1 3.18Å; Y72-L100 HydrophobicContact CD1-CD1 3.41Å; Y72-L100 VanDerWaalsContact CD1-CD1 3.41Å; Y72-L100 HydrophobicContact CE1-CB 4.32Å; Y72-L100 HydrophobicContact CE1-CD1 3.61Å; Y72-L100 HydrophobicContact CG-CD1 4.2Å
73L82.8Confident76.1Confident68 Ų6887.4 Ų87.436%0.35643%0.427SS..Hα-helixtrans-60.1-47179.1-70.6172.7000111.9K69 A75 K76 E77 L111K69-L73 WeakPolarHBondContact O-CG 3.24Å; K69-L73 PolarHBondContact O-N 3.2Å; L73-A75 VanDerWaalsContact C-N 3.28Å; L73-A75 PolarHBondContact O-N 3.05Å; L73-K76 PolarHBondContact O-N 2.67Å; L73-K76 VanDerWaalsContact O-N 3.09Å; L73-E77 VanDerWaalsContact O-CB 3.32Å; L73-E77 WeakPolarHBondContact O-CB 3.38Å; L73-E77 PolarHBondContact O-N 2.7Å; L73-L111 HydrophobicContact CD1-CD2 4.15Å
74L81.8Confident74.5Confident86 Ų8684.6 Ų84.645%0.4542%0.418SS..Hα-helixtrans-62.3-33.5176.8-70.3169.3000113R70 Y72 G78R70-L74 HydrophobicContact CG-CD1 4.09Å; R70-L74 VanDerWaalsContact O-CG 3.31Å; R70-L74 WeakPolarHBondContact O-CG 3.22Å; R70-L74 PolarHBondContact O-N 2.75Å; Y72-L74 PolarHBondContact O-N 2.68Å; L74-G78 PolarHBondContact O-N 2.7Å; L74-G78 VanDerWaalsContact O-N 3.15Å
75A77.4Confident73Confident5 Ų587.2 Ų87.24%0.04143%0.432CS..Hα-helixtrans-71.3-35.7173.700000112.5Q71 Y72 L73 I89 C90 Y93Q71-A75 WeakPolarHBondContact O-CB 3.1Å; Q71-A75 PolarHBondContact O-N 2.96Å; Q71-A75 VanDerWaalsContact O-N 3.11Å; Y72-A75 PolarHBondContact O-N 3.18Å; L73-A75 VanDerWaalsContact C-N 3.28Å; L73-A75 PolarHBondContact O-N 3.05Å; A75-I89 HydrophobicContact CB-CB 4.07Å; A75-I89 HydrophobicContact CB-CG2 3.86Å; A75-C90 HydrophobicContact CB-CB 4.18Å; A75-Y93 HydrophobicContact CB-CD2 3.91Å; A75-Y93 HydrophobicContact CB-CE2 4.02Å
76K76.4Confident71.4Confident94 Ų9491.5 Ų91.541%0.40945%0.449SS..Hα-helixtrans-73.6-40.2178.6-166.3173.9-163.51620112.4Y72 L73 N79Y72-K76 HydrophobicContact CE1-CD 3.89Å; Y72-K76 WeakPolarHBondContact O-CB 3.23Å; Y72-K76 PolarHBondContact O-N 3.16Å; Y72-K76 WeakPolarHBondContact OH-CD 3.28Å; Y72-K76 WeakPolarHBondContact OH-CE 3.35Å; Y72-K76 PolarHBondContact OH-NZ 2.75Å; L73-K76 PolarHBondContact O-N 2.67Å; L73-K76 VanDerWaalsContact O-N 3.09Å; K76-N79 WeakPolarHBondContact O-CB 3.13Å; K76-N79 PolarHBondContact O-N 2.9Å
77E70.4Confident70Confident144 Ų14488.7 Ų88.767%0.67344%0.438SS*.Hα-helixtrans-69.1-39.5176.8-172.3-178.4-175.500111.8L73 N79L73-E77 VanDerWaalsContact O-CB 3.32Å; L73-E77 WeakPolarHBondContact O-CB 3.38Å; L73-E77 PolarHBondContact O-N 2.7Å; E77-N79 PolarHBondContact O-N 3.32Å
78G62.3Low68.6Low34 Ų3493.9 Ų93.935%0.35145%0.454SS..G310 helixtrans-67.2-2.1175.500000115.6L74 L80L74-G78 PolarHBondContact O-N 2.7Å; L74-G78 VanDerWaalsContact O-N 3.15Å; G78-L80 VanDerWaalsContact C-N 3.26Å; G78-L80 PolarHBondContact O-N 2.71Å
79N54.1Low67.2Low89 Ų8998.5 Ų98.548%0.47648%0.478SS..G310 helixtrans-75.9-9-170.9-152.59.1000113.9K76 E77 R81K76-N79 WeakPolarHBondContact O-CB 3.13Å; K76-N79 PolarHBondContact O-N 2.9Å; E77-N79 PolarHBondContact O-N 3.32Å; N79-R81 VanDerWaalsContact C-N 3.27Å; N79-R81 PolarHBondContact O-N 2.8Å
80L51.3Low66.5Low169 Ų16995.8 Ų95.889%0.88547%0.466SS*.G310 helixtrans-73.9-5.6176.6-74.9164.4000115.1G78G78-L80 VanDerWaalsContact C-N 3.26Å; G78-L80 PolarHBondContact O-N 2.71Å
81R53.6Low66Low222 Ų22293.1 Ų93.184%0.83846%0.459SS*.THydrogen-bonded Turntrans-135.1-24.9-175.9-83.4168.762.7-1681117.3N79N79-R81 VanDerWaalsContact C-N 3.27Å; N79-R81 PolarHBondContact O-N 2.8Å
82N52.2Low66Low102 Ų10290 Ų9055%0.54544%0.444SS..SBendtrans-122.847.5-158.5-68.3-38000115.6G84 Q85N82-G84 PolarHBondContact O-N 3.44Å; N82-Q85 PolarHBondContact O-N 2.9Å
83N50.8Low65.8Low153 Ų15390.3 Ų90.382%0.81845%0.446SS*.THydrogen-bonded Turntrans4153.7153.9-154.741.4000116.2Q85N83-Q85 PolarHBondContact O-N 3.05Å
84G55.8Low65.7Low42 Ų4290.7 Ų90.743%0.43345%0.448SS..THydrogen-bonded Turntrans71.320.7167.300000117.3N82 Y86N82-G84 PolarHBondContact O-N 3.44Å; G84-Y86 VanDerWaalsContact C-N 3.31Å; G84-Y86 WeakPolarHBondContact O-CD1 3.3Å; G84-Y86 VanDerWaalsContact O-CE1 3.24Å; G84-Y86 WeakPolarHBondContact O-CE1 3.47Å; G84-Y86 PolarHBondContact O-N 3.31Å
85Q59.7Low65.9Low100 Ų10088.5 Ų88.547%0.46744%0.436SS..  trans-92.537.2-176.8-60.5-169.58.200114.7N82 N83 H87 K88N82-Q85 PolarHBondContact O-N 2.9Å; N83-Q85 PolarHBondContact O-N 3.05Å; Q85-H87 PolarHBondContact O-N 3.49Å; Q85-K88 HydrophobicContact CB-CD 4.19Å; Q85-K88 HydrophobicContact CB-CG 4.38Å; Q85-K88 WeakPolarHBondContact O-CB 3.38Å; Q85-K88 PolarHBondContact O-N 3.16Å; Q85-K88 VanDerWaalsContact OE1-CE 3.26Å
86Y58.3Low66.3Low93 Ų9388.2 Ų88.237%0.36543%0.434SS..Hα-helixtrans-53.5-44.9-17848.6-86.1000113.3G84 K88 I89 C90 Y93G84-Y86 VanDerWaalsContact C-N 3.31Å; G84-Y86 WeakPolarHBondContact O-CD1 3.3Å; G84-Y86 VanDerWaalsContact O-CE1 3.24Å; G84-Y86 WeakPolarHBondContact O-CE1 3.47Å; G84-Y86 PolarHBondContact O-N 3.31Å; Y86-K88 PolarHBondContact O-N 2.9Å; Y86-K88 VanDerWaalsContact O-N 3.07Å; Y86-I89 PolarHBondContact O-N 2.66Å; Y86-C90 PolarHBondContact O-N 3.1Å; Y86-Y93 AromaticContact CD2-CD1 3.53Å; Y86-Y93 HydrophobicContact CD2-CD1 3.53Å; Y86-Y93 HydrophobicContact CD2-CE1 4.28Å; Y86-Y93 AromaticContact CD2-CG 3.86Å; Y86-Y93 HydrophobicContact CD2-CG 3.86Å; Y86-Y93 HydrophobicContact CE2-CD1 4.27Å; Y86-Y93 AromaticContact CG-CD1 3.97Å; Y86-Y93 HydrophobicContact CG-CD1 3.97Å; Y86-Y93 HydrophobicContact CG-CE1 4.35Å; Y86-Y93 HydrophobicContact CG-CG 4.24Å
87H60.1Low66.7Low96 Ų9686.7 Ų86.744%0.44443%0.429SS..Hα-helixtrans-56.4-24.2176.8-66.6-50.3000115.2Q85 D94Q85-H87 PolarHBondContact O-N 3.49Å; H87-D94 IonicContact CE1-OD1 3.33Å; H87-D94 PolarHBondContact CE1-OD1 3.49Å; H87-D94 IonicContact ND1-OD1 3.55Å; H87-D94 IonicContact NE2-OD1 2.43Å; H87-D94 PolarHBondContact NE2-OD1 3.21Å; H87-D94 IonicContact NE2-OD2 2.32Å; H87-D94 PolarHBondContact NE2-OD2 3.37Å
88K60.3Low67.4Low161 Ų16183.9 Ų83.970%0.743%0.425SS*.Hα-helixtrans-78.3-23.7177.9-63.7-170.9-176.8175.50112.9Q85 Y86Q85-K88 HydrophobicContact CB-CD 4.19Å; Q85-K88 HydrophobicContact CB-CG 4.38Å; Q85-K88 WeakPolarHBondContact O-CB 3.38Å; Q85-K88 PolarHBondContact O-N 3.16Å; Q85-K88 VanDerWaalsContact OE1-CE 3.26Å; Y86-K88 PolarHBondContact O-N 2.9Å; Y86-K88 VanDerWaalsContact O-N 3.07Å
89I60.6Low68.5Low97 Ų9783.3 Ų83.350%0.49741%0.414SS..Hα-helixtrans-98.4-40.8-178.9-55.4176.4000109.9A75 Y86A75-I89 HydrophobicContact CB-CB 4.07Å; A75-I89 HydrophobicContact CB-CG2 3.86Å; Y86-I89 PolarHBondContact O-N 2.66Å
90C73.8Confident69.8Low1 Ų180.3 Ų80.31%0.00740%0.397CS..  trans-132108.4174.9-171.40000111A75 Y86 F92 Y93A75-C90 HydrophobicContact CB-CB 4.18Å; Y86-C90 PolarHBondContact O-N 3.1Å; C90-F92 PolarHBondContact O-N 3.03Å; C90-F92 VanDerWaalsContact O-N 3.08Å; C90-Y93 HydrophobicContact CB-CD2 4.38Å; C90-Y93 WeakPolarHBondContact O-CB 3.28Å; C90-Y93 PolarHBondContact O-N 3.09Å
91K76.6Confident70.7Confident121 Ų12174.3 Ų74.353%0.52637%0.37SS..THydrogen-bonded Turntrans-61.2-14.7177.2-72.3-174.9173.7-173.70115D13D13-K91 IonicContact OD1-NZ 3.17Å; D13-K91 PolarHBondContact OD1-NZ 3.01Å; D13-K91 IonicContact OD2-NZ 2.74Å; D13-K91 PolarHBondContact OD2-NZ 3.02Å
92F82.6Confident70.8Confident9 Ų970.8 Ų70.84%0.03937%0.367CS..THydrogen-bonded Turntrans-120.418.9-174.9-47.7-75000111.7D13 T16 R17 L20 L68 C90 D94 I95 M96D13-F92 HydrophobicContact CB-CZ 4.33Å; T16-F92 HydrophobicContact CG2-CD1 4.42Å; T16-F92 HydrophobicContact CG2-CD2 3.92Å; T16-F92 HydrophobicContact CG2-CE1 4.13Å; T16-F92 HydrophobicContact CG2-CE2 3.59Å; T16-F92 HydrophobicContact CG2-CG 4.33Å; T16-F92 HydrophobicContact CG2-CZ 3.72Å; R17-F92 HydrophobicContact CG-CD1 3.96Å; R17-F92 HydrophobicContact CG-CE1 3.87Å; L20-F92 HydrophobicContact CD1-CB 3.69Å; L20-F92 HydrophobicContact CD1-CG 4.1Å; L68-F92 HydrophobicContact CD2-CD2 3.91Å; L68-F92 HydrophobicContact CD2-CE2 4.43Å; C90-F92 PolarHBondContact O-N 3.03Å; C90-F92 VanDerWaalsContact O-N 3.08Å; F92-D94 PolarHBondContact O-N 3.31Å; F92-I95 PolarHBondContact O-N 2.91Å; F92-M96 WeakPolarHBondContact O-CG 3.25Å; F92-M96 PolarHBondContact O-N 3.49Å
93Y81.6Confident71Confident11 Ų1171 Ų714%0.04336%0.361CS..Hα-helixtrans-50.2-52.1-172.8-173.9-90.7000112.4Y72 A75 Y86 C90 I95 M96 E97Y72-Y93 AromaticContact CD2-CD2 3.62Å; Y72-Y93 HydrophobicContact CD2-CD2 3.62Å; Y72-Y93 AromaticContact CD2-CE2 3.57Å; Y72-Y93 HydrophobicContact CD2-CE2 3.57Å; Y72-Y93 HydrophobicContact CD2-CG 4.3Å; Y72-Y93 AromaticContact CE2-CD2 3.83Å; Y72-Y93 HydrophobicContact CE2-CD2 3.83Å; Y72-Y93 HydrophobicContact CE2-CE1 4.15Å; Y72-Y93 AromaticContact CE2-CE2 3.4Å; Y72-Y93 HydrophobicContact CE2-CE2 3.4Å; Y72-Y93 HydrophobicContact CE2-CG 4.35Å; Y72-Y93 AromaticContact CE2-CZ 3.54Å; A75-Y93 HydrophobicContact CB-CD2 3.91Å; A75-Y93 HydrophobicContact CB-CE2 4.02Å; Y86-Y93 AromaticContact CD2-CD1 3.53Å; Y86-Y93 HydrophobicContact CD2-CD1 3.53Å; Y86-Y93 HydrophobicContact CD2-CE1 4.28Å; Y86-Y93 AromaticContact CD2-CG 3.86Å; Y86-Y93 HydrophobicContact CD2-CG 3.86Å; Y86-Y93 HydrophobicContact CE2-CD1 4.27Å; Y86-Y93 AromaticContact CG-CD1 3.97Å; Y86-Y93 HydrophobicContact CG-CD1 3.97Å; Y86-Y93 HydrophobicContact CG-CE1 4.35Å; Y86-Y93 HydrophobicContact CG-CG 4.24Å; C90-Y93 HydrophobicContact CB-CD2 4.38Å; C90-Y93 WeakPolarHBondContact O-CB 3.28Å; C90-Y93 PolarHBondContact O-N 3.09Å; Y93-I95 VanDerWaalsContact C-N 3.31Å; Y93-I95 PolarHBondContact O-N 2.87Å; Y93-M96 CarbonylContact O-C 3.57Å; Y93-M96 WeakPolarHBondContact O-CB 3.44Å; Y93-M96 PolarHBondContact O-N 2.96Å; Y93-E97 HydrophobicContact CE1-CB 4.29Å; Y93-E97 VanDerWaalsContact CE1-CD 3.43Å; Y93-E97 HydrophobicContact CE1-CG 4.48Å; Y93-E97 WeakPolarHBondContact CE1-OE1 3.39Å; Y93-E97 VanDerWaalsContact CE1-OE2 3.29Å; Y93-E97 WeakPolarHBondContact CE1-OE2 3.34Å; Y93-E97 VanDerWaalsContact CZ-OE1 3.25Å; Y93-E97 VanDerWaalsContact O-CB 3.32Å; Y93-E97 WeakPolarHBondContact O-CB 3.37Å; Y93-E97 PolarHBondContact O-N 2.87Å; Y93-E97 PolarHBondContact OH-OE1 3.28Å
94D80.7Confident70.3Confident76 Ų7669.3 Ų69.341%0.40636%0.356SS..Hα-helixtrans-64.8-33.8-175-18.4-30.8000112.5H87 F92 S98H87-D94 IonicContact CE1-OD1 3.33Å; H87-D94 PolarHBondContact CE1-OD1 3.49Å; H87-D94 IonicContact ND1-OD1 3.55Å; H87-D94 IonicContact NE2-OD1 2.43Å; H87-D94 PolarHBondContact NE2-OD1 3.21Å; H87-D94 IonicContact NE2-OD2 2.32Å; H87-D94 PolarHBondContact NE2-OD2 3.37Å; F92-D94 PolarHBondContact O-N 3.31Å; D94-S98 WeakPolarHBondContact O-CB 3.28Å; D94-S98 PolarHBondContact O-N 3.3Å
95I84.5Confident69.5Low39 Ų3973.4 Ų73.420%0.237%0.372CS..Hα-helixtrans-71.7-45.8176.4-55.8174.2000109.4R17 L20 F92 Y93 E97 S98 I99R17-I95 HydrophobicContact CG-CD1 4.11Å; L20-I95 HydrophobicContact CB-CG2 3.84Å; L20-I95 HydrophobicContact CD1-CG2 4.25Å; F92-I95 PolarHBondContact O-N 2.91Å; Y93-I95 VanDerWaalsContact C-N 3.31Å; Y93-I95 PolarHBondContact O-N 2.87Å; I95-E97 VanDerWaalsContact C-N 3.28Å; I95-E97 PolarHBondContact O-N 3.11Å; I95-S98 PolarHBondContact O-N 3.1Å; I95-I99 HydrophobicContact CG2-CD1 4.03Å; I95-I99 WeakPolarHBondContact O-CD1 3.37Å; I95-I99 VanDerWaalsContact O-CG1 3.29Å; I95-I99 WeakPolarHBondContact O-CG1 3.36Å; I95-I99 PolarHBondContact O-N 3.32Å; I95-I99 VanDerWaalsContact O-N 3.17Å
96M86.9Confident68.3Low0 Ų075.4 Ų75.40%039%0.386CS..Hα-helixtrans-60.3-39.8173.7-69.5-66.2-56.500111.7L20 W23 L68 K69 Y72 F92 Y93 I99 L100L20-M96 HydrophobicContact CD1-CG 4.37Å; L20-M96 HydrophobicContact CD1-SD 4.1Å; L20-M96 HydrophobicContact CD2-SD 3.45Å; L20-M96 WeakPolarHBondContact CD2-SD 3.27Å; L20-M96 HydrophobicContact CG-SD 4.44Å; W23-M96 HydrophobicContact CZ3-CE 4.28Å; W23-M96 HydrophobicContact CZ3-SD 4.29Å; L68-M96 HydrophobicContact CB-CE 4.33Å; L68-M96 HydrophobicContact CB-SD 3.97Å; K69-M96 HydrophobicContact CB-CE 4.36Å; K69-M96 HydrophobicContact CG-CE 3.89Å; Y72-M96 HydrophobicContact CD2-CB 3.63Å; Y72-M96 HydrophobicContact CE2-CB 4.33Å; Y72-M96 HydrophobicContact CG-CB 3.84Å; F92-M96 WeakPolarHBondContact O-CG 3.25Å; F92-M96 PolarHBondContact O-N 3.49Å; Y93-M96 CarbonylContact O-C 3.57Å; Y93-M96 WeakPolarHBondContact O-CB 3.44Å; Y93-M96 PolarHBondContact O-N 2.96Å; M96-I99 PolarHBondContact O-N 2.68Å; M96-L100 HydrophobicContact CE-CD1 3.88Å; M96-L100 VanDerWaalsContact O-CB 3.25Å; M96-L100 WeakPolarHBondContact O-CB 3.45Å; M96-L100 VanDerWaalsContact O-CG 3.29Å; M96-L100 WeakPolarHBondContact O-CG 3.42Å; M96-L100 PolarHBondContact O-N 2.94Å
97E83.8Confident67.2Low62 Ų6275.3 Ų75.329%0.2939%0.391SS..Hα-helixtrans-69.3-43179.6-170147-93.500112.1Y72 Y93 I95 I99 L100 S101Y72-E97 HydrophobicContact CE2-CB 3.78Å; Y72-E97 HydrophobicContact CE2-CG 4.31Å; Y72-E97 PolarHBondContact OH-OE1 3.18Å; Y93-E97 HydrophobicContact CE1-CB 4.29Å; Y93-E97 VanDerWaalsContact CE1-CD 3.43Å; Y93-E97 HydrophobicContact CE1-CG 4.48Å; Y93-E97 WeakPolarHBondContact CE1-OE1 3.39Å; Y93-E97 VanDerWaalsContact CE1-OE2 3.29Å; Y93-E97 WeakPolarHBondContact CE1-OE2 3.34Å; Y93-E97 VanDerWaalsContact CZ-OE1 3.25Å; Y93-E97 VanDerWaalsContact O-CB 3.32Å; Y93-E97 WeakPolarHBondContact O-CB 3.37Å; Y93-E97 PolarHBondContact O-N 2.87Å; Y93-E97 PolarHBondContact OH-OE1 3.28Å; I95-E97 VanDerWaalsContact C-N 3.28Å; I95-E97 PolarHBondContact O-N 3.11Å; E97-I99 VanDerWaalsContact C-N 3.3Å; E97-I99 PolarHBondContact O-N 3.04Å; E97-L100 PolarHBondContact O-N 3.27Å; E97-S101 VanDerWaalsContact CG-OG 3.27Å; E97-S101 WeakPolarHBondContact CG-OG 3.15Å; E97-S101 WeakPolarHBondContact O-CB 3.41Å; E97-S101 PolarHBondContact O-N 3.31Å; E97-S101 PolarHBondContact O-OG 3.48Å
98S86.6Confident66.4Low84 Ų8475.9 Ų75.959%0.58740%0.403SS*.Hα-helixtrans-60.1-38.9174.9-172.50000112.3D94 I95D94-S98 WeakPolarHBondContact O-CB 3.28Å; D94-S98 PolarHBondContact O-N 3.3Å; I95-S98 PolarHBondContact O-N 3.1Å
99I85.3Confident65.4Low23 Ų2375.4 Ų75.412%0.11840%0.404CS..Hα-helixtrans-76.4-35179.1-60.5164.2000111.9L20 W23 I95 M96 E97L20-I99 VanDerWaalsContact O-CD1 3.26Å; L20-I99 WeakPolarHBondContact O-CD1 3.43Å; W23-I99 HydrophobicContact CE3-CD1 3.94Å; W23-I99 HydrophobicContact CE3-CG2 4Å; W23-I99 HydrophobicContact CH2-CG2 3.7Å; W23-I99 HydrophobicContact CZ2-CG2 4.34Å; W23-I99 HydrophobicContact CZ3-CB 4.12Å; W23-I99 HydrophobicContact CZ3-CD1 4.08Å; W23-I99 HydrophobicContact CZ3-CG2 3.52Å; I95-I99 HydrophobicContact CG2-CD1 4.03Å; I95-I99 WeakPolarHBondContact O-CD1 3.37Å; I95-I99 VanDerWaalsContact O-CG1 3.29Å; I95-I99 WeakPolarHBondContact O-CG1 3.36Å; I95-I99 PolarHBondContact O-N 3.32Å; I95-I99 VanDerWaalsContact O-N 3.17Å; M96-I99 PolarHBondContact O-N 2.68Å; E97-I99 VanDerWaalsContact C-N 3.3Å; E97-I99 PolarHBondContact O-N 3.04Å
100L80.8Confident64.4Low25 Ų2576.8 Ų76.813%0.13141%0.408CS..Hα-helixtrans-93-21.6-175-68.7172.6000114.6W23 Y72 M96 E97 R103W23-L100 HydrophobicContact CH2-CD2 4.02Å; W23-L100 HydrophobicContact CH2-CG 4.41Å; Y72-L100 HydrophobicContact CD1-CD1 3.41Å; Y72-L100 VanDerWaalsContact CD1-CD1 3.41Å; Y72-L100 HydrophobicContact CE1-CB 4.32Å; Y72-L100 HydrophobicContact CE1-CD1 3.61Å; Y72-L100 HydrophobicContact CG-CD1 4.2Å; M96-L100 HydrophobicContact CE-CD1 3.88Å; M96-L100 VanDerWaalsContact O-CB 3.25Å; M96-L100 WeakPolarHBondContact O-CB 3.45Å; M96-L100 VanDerWaalsContact O-CG 3.29Å; M96-L100 WeakPolarHBondContact O-CG 3.42Å; M96-L100 PolarHBondContact O-N 2.94Å; E97-L100 PolarHBondContact O-N 3.27Å; L100-R103 PolarHBondContact O-N 3.06Å
101S70Confident63.1Low44 Ų4481 Ų8131%0.30843%0.43SS..Hα-helixtrans-78.7-20.4-176.3-57.90000113.7E97 R103E97-S101 VanDerWaalsContact CG-OG 3.27Å; E97-S101 WeakPolarHBondContact CG-OG 3.15Å; E97-S101 WeakPolarHBondContact O-CB 3.41Å; E97-S101 PolarHBondContact O-N 3.31Å; E97-S101 PolarHBondContact O-OG 3.48Å; S101-R103 PolarHBondContact O-N 3.3Å
102N56.7Low61.7Low148 Ų14882 Ų8279%0.79144%0.438SS*.THydrogen-bonded Turntrans-72.411.9171.9-70.4-5.1000113.4
103R55.3Low59.5Low106 Ų10687.7 Ų87.740%0.447%0.469SS..THydrogen-bonded Turntrans-123.621.7-178.7-66.7178.6168.6-89.52.9114Q29 D33 L100 S101 V105Q29-R103 PolarHBondContact O-NH2 3.21Å; D33-R103 IonicContact OD1-CZ 3.2Å; D33-R103 IonicContact OD1-NH1 2.75Å; D33-R103 PolarHBondContact OD1-NH1 3.1Å; D33-R103 IonicContact OD1-NH2 2.7Å; D33-R103 PolarHBondContact OD1-NH2 3.26Å; L100-R103 PolarHBondContact O-N 3.06Å; S101-R103 PolarHBondContact O-N 3.3Å; R103-V105 PolarHBondContact O-N 3.49Å
104T36.9Very low57.6Low118 Ų11891.2 Ų91.272%0.72450%0.496SS*.  trans-67120.417252.40000110
105V39.4Very low55.6Low128 Ų12889.9 Ų89.978%0.77650%0.5SS*.  cis-154.5121.631.7172.70000109.8R103R103-V105 PolarHBondContact O-N 3.49Å
106L33.5Very low53.3Low142 Ų14294.5 Ų94.574%0.74353%0.53SS*.SBendtrans-150.4168.7155.6-83.6-170.2000110.6E110L106-E110 WeakPolarHBondContact CD1-OE2 3.37Å
107D34.8Very low50.6Low90 Ų9098.1 Ų98.148%0.48157%0.566SS.*  trans-52.2135.9-170.6-170.7-29.3000114.6Q109 E110D107-Q109 PolarHBondContact O-N 3.18Å; D107-Q109 PolarHBondContact OD1-N 3.37Å; D107-E110 PolarHBondContact O-N 3.02Å; D107-E110 VanDerWaalsContact O-N 3.12Å
108P43.7Very low48.1Very low108 Ų10898.4 Ų98.470%0.70159%0.586SS**THydrogen-bonded Turntrans-47-24.2167.7-30.536.8000116.7
109Q39.5Very low45.6Very low151 Ų151104.3 Ų104.371%0.70661%0.605SS**THydrogen-bonded Turntrans-67.9-40.7175.2-79.2-167.2-14400113.9D107 L111 M112D107-Q109 PolarHBondContact O-N 3.18Å; D107-Q109 PolarHBondContact OD1-N 3.37Å; Q109-L111 VanDerWaalsContact C-N 3.27Å; Q109-L111 PolarHBondContact O-N 3.08Å; Q109-M112 PolarHBondContact O-N 3.11Å; Q109-M112 VanDerWaalsContact O-N 3.1Å
110E39.8Very low43.1Very low127 Ų127112 Ų11259%0.59364%0.64SS**THydrogen-bonded Turntrans-70.4-22.1-171.8-69.2-157.7156.100113.4L106 D107 M112 D113L106-E110 WeakPolarHBondContact CD1-OE2 3.37Å; D107-E110 PolarHBondContact O-N 3.02Å; D107-E110 VanDerWaalsContact O-N 3.12Å; E110-M112 PolarHBondContact O-N 3.01Å; E110-D113 PolarHBondContact O-N 2.8Å
111L46.9Very low40.8Very low90 Ų90117.6 Ų117.647%0.47168%0.675SS.*THydrogen-bonded Turntrans-67.8-6.9174.4-149.484.5000113.4L73 Q109L73-L111 HydrophobicContact CD1-CD2 4.15Å; Q109-L111 VanDerWaalsContact C-N 3.27Å; Q109-L111 PolarHBondContact O-N 3.08Å
112M46.4Very low39Very low141 Ų141119.1 Ų119.170%0.69570%0.698SS**THydrogen-bonded Turntrans-104.3-24177.2-52.2-156.4-163.100113.4Q109 E110 S114Q109-M112 PolarHBondContact O-N 3.11Å; Q109-M112 VanDerWaalsContact O-N 3.1Å; E110-M112 PolarHBondContact O-N 3.01Å; M112-S114 VanDerWaalsContact C-N 3.33Å; M112-S114 PolarHBondContact O-N 3.12Å
113D36.4Very low37.6Very low128 Ų128120.1 Ų120.168%0.68470%0.704SS**  trans-86.172.8179.6-163.412.8000112.4E110E110-D113 PolarHBondContact O-N 2.8Å
114S41Very low36.5Very low86 Ų86117.6 Ų117.660%0.60171%0.71SS**SBendtrans-152.252.2169.7-78.70000110.3M112M112-S114 VanDerWaalsContact C-N 3.33Å; M112-S114 PolarHBondContact O-N 3.12Å
115G38.8Very low36.4Very low48 Ų48120.4 Ų120.450%0.49572%0.72SS.*  trans138.966.5174.800000114.4
116V36.1Very low36.1Very low136 Ų136123.6 Ų123.682%0.82473%0.727SS**  trans-121.394.3159-178.60000108
117G30.9Very low36.2Very low75 Ų75126.1 Ų126.177%0.77374%0.735SS**SBendtrans156.9129.1-179.100000111.1
118G30.9Very low36.2Very low69 Ų69130.1 Ų130.171%0.71176%0.756SS**  trans8389.3179.500000114.5
119E34.7Very low35.6Very low208 Ų208128.7 Ų128.797%0.97276%0.76SS**  trans-86.2109.2137.7-71.1-176.8128.900105.6
120E32.2Very low35.2Very low185 Ų185131 Ų13186%0.86477%0.771SS**PPolyproline II helixtrans-97138173.6-72.8-177.5161.400109.8
121T32.3Very low34.6Very low141 Ų141133.2 Ų133.287%0.86579%0.787SS**PPolyproline II helixtrans-60.8137.5172.145.20000110.4
122G32.2Very low34Very low77 Ų77134 Ų13479%0.79481%0.806SS**PPolyproline II helixtrans-76.3140.9165.800000111.1
123D28.8Very low33.2Very low169 Ų169136.1 Ų136.190%0.90482%0.815SS**  -167.6177.1113.1-160.99.8000109.7
124G31.5Very low32.8Very low52 Ų52136.9 Ų136.954%0.53682%0.819SS.*  trans8593.7140.800000119
125L33.7Very low32.2Very low177 Ų177142.9 Ų142.993%0.92783%0.828SS**  trans46.4123.9133.2-64.4164.4000120.7
126E34.7Very low31.4Very low196 Ų196151.7 Ų151.792%0.91685%0.848SS**  trans-77.1131.9156-59.3175.1150.600109.8
127E35.9Very low31.2Very low195 Ų195150 Ų15091%0.91184%0.843SS**  trans-150.8139.4156.9-145.3169.6-142.400110.3
128D33.8Very low31.1Very low174 Ų174155.3 Ų155.393%0.9385%0.847SS**  trans-82.1146.7-177.1-65.1-66.3000112.2
129G30.9Very low30.8Very low77 Ų77157.4 Ų157.479%0.79485%0.851SS**  trans-165.1128.9176.600000114.6
130E30.4Very low30.6Very low201 Ų201154 Ų15494%0.93985%0.845SS**  trans-87.7179-167.4-58.5177.6129.400115.2
131D28.2Very low30.3Very low172 Ų172148.9 Ų148.992%0.9284%0.841SS**  trans-56.9141.5-176.6-66.2-75.6000116.3
132A33.3Very low30Very low106 Ų106150.8 Ų150.888%0.87684%0.84SS**  trans-153.9151.3147.300000111.6
133Q30.8Very low29.7Very low186 Ų186152.8 Ų152.887%0.86984%0.841SS**  trans-135.1117.1-172.5177-178.42.700111.9
134D26.8Very low29.8Very low145 Ų145150.3 Ų150.378%0.77583%0.834SS**  trans-179169.8154.3-100.9-23.1000109.9
135R28.4Very low29.7Very low212 Ų212158.9 Ų158.980%0.885%0.852SS**  cis171.8109.5-42.7175.2-165.3-155-179.89.3109.6
136Y23.6Very low29.6Very low232 Ų232156 Ų15691%0.9184%0.844SS**  trans62.9158177.3-101.7-120.5000114.2
137S30.4Very low29.5Very low101 Ų101151.2 Ų151.271%0.70684%0.837SS**  cis-145.3166.311.859.70000113.2
138E29.4Very low29.5Very low187 Ų187151.3 Ų151.387%0.87484%0.838SS**  trans-69.5143.9170.3-178174.1-142.600112.7
139S24.6Very low29.5Very low113 Ų113149.1 Ų149.179%0.7983%0.831SS**  trans-154.6126161.8-171.20000111.1
140T30.3Very low29.6Very low136 Ų136154.6 Ų154.683%0.83484%0.836SS**  trans-74.4159.5165.2410000111.2
141G27Very low29.6Very low77 Ų77151 Ų15179%0.79483%0.827SS**  trans-178.7106.3176.100000111.4
142E25.4Very low29.7Very low182 Ų182150 Ų15085%0.8582%0.815SS**  trans-93.9147.3-178.5-63.1-178.1118.200112.5
143C26.1Very low29.8Very low118 Ų118151.3 Ų151.380%0.79781%0.807SS**  trans67165.9154.1-72.50000117.8
144P31.4Very low29.9Very low118 Ų118149.4 Ų149.477%0.76680%0.797SS**  cis-121.5154.77.539.5-25.9000116.5
145Y28.3Very low30.3Very low232 Ų232151.6 Ų151.691%0.9180%0.796SS**  trans-81.9131.3164.7-87.7-93.1000111.1
146P32.9Very low30.6Very low117 Ų117146.8 Ų146.876%0.7679%0.793SS**  trans-92.7126.7166.533.3-29.3000112.3
147A30.6Very low31.5Very low94 Ų94140.4 Ų140.478%0.77779%0.788SS**  trans38.1125.3153.300000120.9
148E37.8Very low31.9Very low197 Ų197141.5 Ų141.592%0.92179%0.79SS**  trans-54.4152.9165.6-56.4172.6152.100112.6
149T32.5Very low32.3Very low129 Ų129137.9 Ų137.979%0.79178%0.783SS**  trans-139.6117.4164.1-46.30000109.8V151T149-V151 PolarHBondContact O-N 2.81Å
150E33.9Very low32.7Very low192 Ų192139.9 Ų139.990%0.89778%0.783SS**  trans-77101.6-170.5-172.4179-149.500111.6K152E150-K152 PolarHBondContact O-N 2.99Å; E150-K152 VanDerWaalsContact O-N 3.14Å
151V30.1Very low33Very low125 Ų125139.1 Ų139.176%0.75878%0.78SS**  trans-82.393.3178.6-176.90000110.3T149 L153T149-V151 PolarHBondContact O-N 2.81Å; V151-L153 PolarHBondContact O-N 2.67Å
152K30.6Very low33.5Very low151 Ų151142.3 Ų142.366%0.65778%0.777SS**  trans-63.196.8176-170.8-166.2176.9-146.90111.7E150 E154E150-K152 PolarHBondContact O-N 2.99Å; E150-K152 VanDerWaalsContact O-N 3.14Å; K152-E154 IonicContact NZ-OE1 3.05Å; K152-E154 PolarHBondContact NZ-OE1 3.47Å; K152-E154 IonicContact NZ-OE2 2.68Å; K152-E154 PolarHBondContact NZ-OE2 2.81Å; K152-E154 PolarHBondContact O-N 3.29Å
153L35.7Very low34.2Very low134 Ų134139.9 Ų139.970%0.70278%0.777SS**  trans-73.687175.9-84.3167.1000112.3V151 Y155V151-L153 PolarHBondContact O-N 2.67Å; L153-Y155 HydrophobicContact CB-CE2 4.38Å; L153-Y155 HydrophobicContact CD2-CE2 4.12Å; L153-Y155 PolarHBondContact O-N 3.44Å
154E31.8Very low34.6Very low145 Ų145140 Ų14068%0.67877%0.774SS**  trans-95.489.5177.2-166.8151.6-132.700111K152 P156K152-E154 IonicContact NZ-OE1 3.05Å; K152-E154 PolarHBondContact NZ-OE1 3.47Å; K152-E154 IonicContact NZ-OE2 2.68Å; K152-E154 PolarHBondContact NZ-OE2 2.81Å; K152-E154 PolarHBondContact O-N 3.29Å; E154-P156 WeakPolarHBondContact O-CD 3.08Å
155Y34.7Very low34.8Very low192 Ų192144 Ų14475%0.75378%0.779SS**  trans-75.1122.7177.9-82.6-89.8000111.8L153 A157L153-Y155 HydrophobicContact CB-CE2 4.38Å; L153-Y155 HydrophobicContact CD2-CE2 4.12Å; L153-Y155 PolarHBondContact O-N 3.44Å; Y155-A157 PolarHBondContact O-N 2.85Å; Y155-A157 VanDerWaalsContact O-N 3.14Å
156P34.8Very low35Very low111 Ų111139 Ų13972%0.72177%0.773SS**  trans-73.9104.2171.229.6-32.8000110.4E154 V158E154-P156 WeakPolarHBondContact O-CD 3.08Å; P156-V158 PolarHBondContact O-N 3.37Å; P156-V158 VanDerWaalsContact O-N 3.12Å
157A42.9Very low35Very low98 Ų98140 Ų14081%0.8178%0.777SS**  trans-72.5101.7174.600000110.9Y155 P159Y155-A157 PolarHBondContact O-N 2.85Å; Y155-A157 VanDerWaalsContact O-N 3.14Å; A157-P159 WeakPolarHBondContact O-CD 3.41Å
158V38.2Very low35.1Very low124 Ų124141.2 Ų141.275%0.75278%0.775SS**  trans-98.3111174.9-172.50000109.6P156P156-V158 PolarHBondContact O-N 3.37Å; P156-V158 VanDerWaalsContact O-N 3.12Å
159P39.5Very low34.7Very low111 Ų111135 Ų13572%0.72176%0.764SS**PPolyproline II helixtrans-73129.5179.6-16.831.9000111.7A157 P161A157-P159 WeakPolarHBondContact O-CD 3.41Å; P159-P161 VanDerWaalsContact O-CD 3.32Å; P159-P161 WeakPolarHBondContact O-CD 3.32Å
160I32.8Very low34.7Very low155 Ų155136.4 Ų136.480%0.79577%0.766SS**PPolyproline II helixtrans-75.3119.3172.8-57.8173.4000108.9I162I160-I162 PolarHBondContact O-N 3.42Å
161P35.9Very low34.6Very low120 Ų120135.2 Ų135.278%0.77977%0.766SS**PPolyproline II helixtrans-75118.7-177.8-16.732.3000112.1P159 P163P159-P161 VanDerWaalsContact O-CD 3.32Å; P159-P161 WeakPolarHBondContact O-CD 3.32Å; P161-P163 WeakPolarHBondContact O-CD 3.31Å
162I38.3Very low34.6Very low143 Ų143135.1 Ų135.173%0.73377%0.771SS**  trans-95114.3173.4-50.9178.1000109.5I160 V164I160-I162 PolarHBondContact O-N 3.42Å; I162-V164 HydrophobicContact CG2-CG2 4.07Å; I162-V164 PolarHBondContact O-N 3.11Å
163P39.4Very low34.6Very low131 Ų131134.6 Ų134.685%0.85178%0.781SS**  trans-82.981.5-176.133-35.5000112.7P161P161-P163 WeakPolarHBondContact O-CD 3.31Å
164V34.4Very low34.3Very low120 Ų120133.8 Ų133.873%0.72779%0.786SS**  trans-98.3114.6168.7-175.40000110.6I162I162-V164 HydrophobicContact CG2-CG2 4.07Å; I162-V164 PolarHBondContact O-N 3.11Å
165K36Very low34.2Very low202 Ų202131.3 Ų131.388%0.87879%0.791SS**  trans-136.185.8167.6-79-168.2175.9-179.30111.7
166V31.4Very low33.9Very low127 Ų127129.8 Ų129.877%0.7780%0.796SS**  trans-131.693.4161-177.60000107.9V168V166-V168 HydrophobicContact CG1-CG2 4.49Å
167T33.7Very low34Very low139 Ų139130.3 Ų130.385%0.85380%0.799SS**  trans-91.6110.9175.4-51.50000109
168V33.4Very low34Very low120 Ų120130.9 Ų130.973%0.72779%0.794SS**PPolyproline II helixtrans-85.4119.2171.1178.80000108.6V166V166-V168 HydrophobicContact CG1-CG2 4.49Å
169G28.4Very low33.8Very low67 Ų67132.3 Ų132.369%0.69180%0.798SS**PPolyproline II helixtrans-94.5139.5171.600000111.2
170N32.7Very low33.4Very low158 Ų158132.3 Ų132.385%0.84580%0.8SS**PPolyproline II helixtrans-78.6161.9-172.8-80-15.8000114.6
171N31.5Very low33.2Very low167 Ų167128.2 Ų128.289%0.89380%0.796SS**PPolyproline II helixtrans-57.9152.7-177.5-58-27.9000114.5
172S30.8Very low33.1Very low123 Ų123132.2 Ų132.286%0.8680%0.801SS**  trans-130.7161.1164.460.10000111.6
173T31Very low32.7Very low140 Ų140131.5 Ų131.586%0.85980%0.804SS**  trans-98.4144.1-159.743.30000116.2
174S29.2Very low32.3Very low117 Ų117130.1 Ų130.182%0.81880%0.803SS**  trans10127.4146.6-168.90000120.7
175A28.7Very low32.1Very low93 Ų93127.6 Ų127.677%0.76980%0.802SS**  trans-159.7144.9136.900000111.5
176N29.7Very low31.9Very low160 Ų160126 Ų12686%0.85680%0.802SS**  trans-102.5159.3173.7-82.1-24.6000111.7
177P35.5Very low32.2Very low121 Ų121127.8 Ų127.879%0.78681%0.807SS**  trans-117.7162.4139.27.913.1000112.5
178P44.6Very low33.1Very low111 Ų111126.8 Ų126.872%0.72180%0.803SS**  trans-116.4169.9-163.241.6-32.8000116.4
179N32.2Very low33.1Very low154 Ų154125.9 Ų125.982%0.82481%0.808SS**  trans66.9154.7157.8-79.3-18.5000118.5
180S31.9Very low33.6Very low110 Ų110133.1 Ų133.177%0.76982%0.815SS**  cis-166.7167.6-1953.80000110.5
181G29.4Very low34.1Very low69 Ų69131 Ų13171%0.71181%0.81SS**  trans111.393146.700000120.7
182K32.9Very low34.7Very low204 Ų204128.3 Ų128.389%0.88780%0.801SS**  58.5119.1129.4-70.4-174.3175.8-179.50123.3
183V29.9Very low35.2Very low129 Ų129132.2 Ų132.278%0.78280%0.803SS**  86121119.61750000121.6
184A30.1Very low35.6Very low101 Ų101136.7 Ų136.784%0.83580%0.803SS**  trans63.4145.4148.700000122.7
185G30.4Very low36.1Very low68 Ų68137.1 Ų137.170%0.70180%0.803SS**  trans134.295.5144.600000118.5
186N33Very low36.7Very low167 Ų167144.2 Ų144.289%0.89381%0.811SS**  trans61.4142.3145-62.1-6000123.1
187L37Very low37.1Very low165 Ų165146.7 Ų146.786%0.86481%0.814SS**  trans-89.6176.9157.5-65.5170.7000108.8
188P52.3Low37.3Very low119 Ų119152.2 Ų152.277%0.77382%0.819SS**  cis-142.5-160.713.244.4-24.2000116.2
189A33.5Very low37.3Very low101 Ų101158.1 Ų158.184%0.83583%0.827SS**  trans89.6156.6159.500000119.5
190R39.3Very low37.9Very low219 Ų219156.2 Ų156.283%0.82683%0.826SS**  trans-149.4137.7-158.7164.3-167.1155.8-153.9-9.5111.8
191P43.7Very low38.7Very low114 Ų114158.2 Ų158.274%0.7483%0.828SS**  trans-120.4-174.214639.4-28.3000110.7
192P44.2Very low40Very low110 Ų110163.6 Ų163.671%0.71483%0.832SS**PPolyproline II helixtrans-97.9165.9-140.81.519.4000118R194P192-R194 PolarHBondContact O-N 3.17Å
193K41.3Very low41.6Very low205 Ų205156.6 Ų156.689%0.89181%0.807SS**PPolyproline II helixtrans-61.4124.9172.6-62.4175.9179177.30111.1
194R38.9Very low43.1Very low233 Ų233157.1 Ų157.188%0.87980%0.803SS**PPolyproline II helixtrans-78.9138.5159.6-68.3-177.4177.6-179.3-0.9109.4P192P192-R194 PolarHBondContact O-N 3.17Å
195P39Very low45Very low126 Ų126159.1 Ų159.182%0.81880%0.795SS**PPolyproline II helixtrans-68.4133.8176.528.1-33.6000110.4K197P195-K197 PolarHBondContact O-N 3.13Å
196R41Very low47.2Very low243 Ų243161.7 Ų161.792%0.91779%0.786SS**  trans-69.6112.9172.5-64.3175.386.1161.14.2107.8R198R196-R198 PolarHBondContact O-N 2.91Å
197K38.5Very low49.5Very low212 Ų212159 Ų15992%0.92277%0.772SS**  trans-54.6108.2168.9-111.6-178.7175.7-179.20107.9P195 R199P195-K197 PolarHBondContact O-N 3.13Å; K197-R199 PolarHBondContact O-N 3.35Å
198R39.2Very low51.6Low236 Ų236156.1 Ų156.189%0.89176%0.755SS**PPolyproline II helixtrans-57.3127.3164.3-93.5179.8160.9177-7.1106.6R196 S200R196-R198 PolarHBondContact O-N 2.91Å; R198-S200 PolarHBondContact O-N 3.18Å
199R44.6Very low53.1Low235 Ų235156 Ų15689%0.88774%0.744SS**PPolyproline II helixtrans-59.6126.3156.4-88.1-179.1165.2172.5-5.7106K197 N201K197-R199 PolarHBondContact O-N 3.35Å; R199-N201 PolarHBondContact O-N 2.94Å
200S44.7Very low55.6Low115 Ų115156.4 Ų156.480%0.80473%0.729SS**PPolyproline II helixtrans-63.5130.3166.338.40000108R198 F202R198-S200 PolarHBondContact O-N 3.18Å; S200-F202 PolarHBondContact O-N 3.19Å
201N49.7Very low58Low151 Ų151152.4 Ų152.481%0.80772%0.718SS**PPolyproline II helixtrans-65.9132.3169.4-64.5-21.8000107.6R199R199-N201 PolarHBondContact O-N 2.94Å
202F56.1Low60.2Low183 Ų183152 Ų15280%0.80371%0.708SS**PPolyproline II helixtrans-71.5120.1163.5-157.3-93.3000106.1S200S200-F202 PolarHBondContact O-N 3.19Å
203P67.1Low62.4Low56 Ų56152.2 Ų152.236%0.36470%0.7SS.*PPolyproline II helixtrans-78.8145.6-160.529.6-35.2000112.9E205 K206P203-E205 HydrophobicContact CB-CB 4.1Å; P203-E205 HydrophobicContact CB-CG 4.22Å; P203-E205 WeakPolarHBondContact CB-OE2 3.35Å; P203-E205 HydrophobicContact CG-CB 4.41Å; P203-E205 WeakPolarHBondContact CG-OE2 3.4Å; P203-E205 PolarHBondContact O-N 3.31Å; P203-E205 VanDerWaalsContact O-N 3.16Å; P203-K206 PolarHBondContact O-N 2.9Å
204M61.6Low64.5Low140 Ų140147.7 Ų147.769%0.6968%0.682SS**Hα-helixtrans-56.7-24.6170-78.4-68.7-64.700112.7K206 L207 M208M204-K206 VanDerWaalsContact C-N 3.29Å; M204-K206 PolarHBondContact O-N 3Å; M204-L207 WeakPolarHBondContact O-CB 3.42Å; M204-L207 PolarHBondContact O-N 2.84Å; M204-M208 PolarHBondContact O-N 2.95Å
205E69.6Low66.5Low143 Ų143139.7 Ų139.767%0.66866%0.662SS**Hα-helixtrans-48.4-48.2176.6-66.7150.4179.100111.7P203 L207 M208 E209P203-E205 HydrophobicContact CB-CB 4.1Å; P203-E205 HydrophobicContact CB-CG 4.22Å; P203-E205 WeakPolarHBondContact CB-OE2 3.35Å; P203-E205 HydrophobicContact CG-CB 4.41Å; P203-E205 WeakPolarHBondContact CG-OE2 3.4Å; P203-E205 PolarHBondContact O-N 3.31Å; P203-E205 VanDerWaalsContact O-N 3.16Å; E205-L207 VanDerWaalsContact C-N 3.3Å; E205-L207 PolarHBondContact O-N 3.4Å; E205-M208 PolarHBondContact O-N 3.32Å; E205-E209 VanDerWaalsContact O-CB 3.28Å; E205-E209 WeakPolarHBondContact O-CB 3.23Å; E205-E209 PolarHBondContact O-N 3.46Å
206K77.5Confident68.8Low122 Ų122136.3 Ų136.353%0.5364%0.644SS.*Hα-helixtrans-72-23.4-178.9-166.6160.8-166.2172.30113.7P203 M204 Q210P203-K206 PolarHBondContact O-N 2.9Å; M204-K206 VanDerWaalsContact C-N 3.29Å; M204-K206 PolarHBondContact O-N 3Å; K206-Q210 WeakPolarHBondContact O-CB 3.3Å; K206-Q210 PolarHBondContact O-N 2.93Å
207L81.3Confident71.2Confident111 Ų111129 Ų12958%0.58162%0.621SS**Hα-helixtrans-78.8-35.9173.5-146.884.2000111.2M204 E205 F211M204-L207 WeakPolarHBondContact O-CB 3.42Å; M204-L207 PolarHBondContact O-N 2.84Å; E205-L207 VanDerWaalsContact C-N 3.3Å; E205-L207 PolarHBondContact O-N 3.4Å; L207-F211 WeakPolarHBondContact O-CB 3.5Å; L207-F211 PolarHBondContact O-N 3.29Å
208M79.4Confident73.3Confident104 Ų104121.9 Ų121.951%0.51260%0.601SS.*Hα-helixtrans-68.7-45.1174.2-173.367.17200111.2M204 E205 Q210 F211 L212M204-M208 PolarHBondContact O-N 2.95Å; E205-M208 PolarHBondContact O-N 3.32Å; M208-Q210 PolarHBondContact O-N 3.39Å; M208-F211 PolarHBondContact O-N 2.86Å; M208-F211 VanDerWaalsContact O-N 3.14Å; M208-L212 HydrophobicContact CG-CD1 4.08Å; M208-L212 HydrophobicContact CG-CG 4.49Å; M208-L212 WeakPolarHBondContact O-CG 3.29Å; M208-L212 PolarHBondContact O-N 3.29Å
209E85.4Confident75.5Confident116 Ų116115.5 Ų115.554%0.54258%0.582SS.*Hα-helixtrans-53.2-52.1172.4-177.1176.3-125.100110.6E205 F211 L212 E213E205-E209 VanDerWaalsContact O-CB 3.28Å; E205-E209 WeakPolarHBondContact O-CB 3.23Å; E205-E209 PolarHBondContact O-N 3.46Å; E209-F211 VanDerWaalsContact C-N 3.31Å; E209-F211 PolarHBondContact O-N 3.41Å; E209-L212 PolarHBondContact O-N 3.12Å; E209-E213 WeakPolarHBondContact O-CB 3.48Å; E209-E213 PolarHBondContact O-N 2.88Å
210Q84.9Confident77.6Confident111 Ų111110.4 Ų110.452%0.51957%0.568SS.*Hα-helixtrans-63.2-31.4176.8-172.9173.9-1.200113.7K206 M208 Q214K206-Q210 WeakPolarHBondContact O-CB 3.3Å; K206-Q210 PolarHBondContact O-N 2.93Å; M208-Q210 PolarHBondContact O-N 3.39Å; Q210-Q214 VanDerWaalsContact O-CG 3.31Å; Q210-Q214 WeakPolarHBondContact O-CG 3.33Å; Q210-Q214 PolarHBondContact O-N 3.3Å; Q210-Q214 VanDerWaalsContact O-N 3.16Å
211F91.2Very high79.8Confident134 Ų134108.3 Ų108.359%0.58855%0.548SS*.Hα-helixtrans-74-41.1175.7-178.8-95.6000112.3L207 M208 E209 Q214 S215L207-F211 WeakPolarHBondContact O-CB 3.5Å; L207-F211 PolarHBondContact O-N 3.29Å; M208-F211 PolarHBondContact O-N 2.86Å; M208-F211 VanDerWaalsContact O-N 3.14Å; E209-F211 VanDerWaalsContact C-N 3.31Å; E209-F211 PolarHBondContact O-N 3.41Å; F211-Q214 PolarHBondContact O-N 3.07Å; F211-S215 PolarHBondContact O-N 3.39Å
212L88.8Confident81.9Confident105 Ų105107.4 Ų107.455%0.5554%0.537SS..Hα-helixtrans-65-41.5175.6-69.5168.8000111.3M208 E209 S215 A216M208-L212 HydrophobicContact CG-CD1 4.08Å; M208-L212 HydrophobicContact CG-CG 4.49Å; M208-L212 WeakPolarHBondContact O-CG 3.29Å; M208-L212 PolarHBondContact O-N 3.29Å; E209-L212 PolarHBondContact O-N 3.12Å; L212-S215 WeakPolarHBondContact O-CB 3.43Å; L212-S215 PolarHBondContact O-N 3.18Å; L212-A216 PolarHBondContact O-N 2.9Å
213E90.6Very high83.3Confident115 Ų115105.5 Ų105.554%0.53753%0.525SS..Hα-helixtrans-56.8-47.6172.1-171.996-120.500111.4E209 S215 A216 Q217E209-E213 WeakPolarHBondContact O-CB 3.48Å; E209-E213 PolarHBondContact O-N 2.88Å; E213-S215 VanDerWaalsContact C-N 3.34Å; E213-S215 PolarHBondContact O-N 2.66Å; E213-A216 PolarHBondContact O-N 3.22Å; E213-Q217 WeakPolarHBondContact O-CB 3.41Å; E213-Q217 VanDerWaalsContact O-CG 3.3Å; E213-Q217 WeakPolarHBondContact O-CG 3.46Å; E213-Q217 PolarHBondContact O-N 3.21Å
214Q84.5Confident84.6Confident111 Ų111108.1 Ų108.152%0.51953%0.528SS..Hα-helixtrans-64.7-35.2176-76.4179.2-17.700113Q210 F211 A218Q210-Q214 VanDerWaalsContact O-CG 3.31Å; Q210-Q214 WeakPolarHBondContact O-CG 3.33Å; Q210-Q214 PolarHBondContact O-N 3.3Å; Q210-Q214 VanDerWaalsContact O-N 3.16Å; F211-Q214 PolarHBondContact O-N 3.07Å; Q214-A218 WeakPolarHBondContact O-CB 3.27Å; Q214-A218 PolarHBondContact O-N 3.39Å
215S81.4Confident85.9Confident64 Ų64105.5 Ų105.545%0.44852%0.52SS..Hα-helixtrans-66.4-46175.3-166.30000111.8F211 L212 E213 A218 E219F211-S215 PolarHBondContact O-N 3.39Å; L212-S215 WeakPolarHBondContact O-CB 3.43Å; L212-S215 PolarHBondContact O-N 3.18Å; E213-S215 VanDerWaalsContact C-N 3.34Å; E213-S215 PolarHBondContact O-N 2.66Å; S215-A218 WeakPolarHBondContact O-CB 3.21Å; S215-A218 PolarHBondContact O-N 3.14Å; S215-E219 PolarHBondContact O-N 3.43Å
216A88.2Confident86.7Confident55 Ų55101.7 Ų101.746%0.45550%0.502SS..Hα-helixtrans-63.6-42.9178.200000111.7L212 E213 A218 E219 E220L212-A216 PolarHBondContact O-N 2.9Å; E213-A216 PolarHBondContact O-N 3.22Å; A216-A218 VanDerWaalsContact C-N 3.3Å; A216-A218 PolarHBondContact O-N 3.27Å; A216-E219 PolarHBondContact O-N 3.31Å; A216-E220 PolarHBondContact O-N 3.31Å
217Q90.4Very high87.3Confident91 Ų91101 Ų10143%0.42550%0.5SS..Hα-helixtrans-63.3-34.8174.5-71173.614.800112.2E213 N221E213-Q217 WeakPolarHBondContact O-CB 3.41Å; E213-Q217 VanDerWaalsContact O-CG 3.3Å; E213-Q217 WeakPolarHBondContact O-CG 3.46Å; E213-Q217 PolarHBondContact O-N 3.21Å; Q217-N221 WeakPolarHBondContact O-CB 3.33Å; Q217-N221 PolarHBondContact O-N 3.46Å; Q217-N221 VanDerWaalsContact O-N 3.08Å; Q217-N221 PolarHBondContact O-ND2 2.93Å
218A83.3Confident87.8Confident62 Ų62100.9 Ų100.951%0.51250%0.497SS..Hα-helixtrans-66.4-40.2174.400000111.9Q214 S215 A216 F222Q214-A218 WeakPolarHBondContact O-CB 3.27Å; Q214-A218 PolarHBondContact O-N 3.39Å; S215-A218 WeakPolarHBondContact O-CB 3.21Å; S215-A218 PolarHBondContact O-N 3.14Å; A216-A218 VanDerWaalsContact C-N 3.3Å; A216-A218 PolarHBondContact O-N 3.27Å; A218-F222 PolarHBondContact O-N 3.22Å
219E84.6Confident88.4Confident101 Ų101101.3 Ų101.347%0.47249%0.493SS..Hα-helixtrans-66.6-45.6177.6-148.6-175147.500112S215 A216 N221 F222 Y223S215-E219 PolarHBondContact O-N 3.43Å; A216-E219 PolarHBondContact O-N 3.31Å; E219-N221 PolarHBondContact O-N 3.43Å; E219-F222 WeakPolarHBondContact O-CB 3.44Å; E219-F222 PolarHBondContact O-N 2.89Å; E219-F222 VanDerWaalsContact O-N 3.12Å; E219-Y223 HydrophobicContact CG-CD2 4.26Å; E219-Y223 HydrophobicContact CG-CE2 3.67Å; E219-Y223 WeakPolarHBondContact O-CD2 3.48Å; E219-Y223 PolarHBondContact O-N 2.82Å; E219-Y223 WeakPolarHBondContact OE1-CE2 3.48Å; E219-Y223 PolarHBondContact OE1-OH 3.4Å
220E90.1Very high88.6Confident128 Ų12899.5 Ų99.560%0.59849%0.487SS*.Hα-helixtrans-60.7-42.8175.3-170.8-169.5171.300112A216 F222 Y223 R224A216-E220 PolarHBondContact O-N 3.31Å; E220-F222 VanDerWaalsContact C-N 3.3Å; E220-F222 PolarHBondContact O-N 3.14Å; E220-Y223 PolarHBondContact O-N 2.8Å; E220-R224 WeakPolarHBondContact O-CB 3.35Å; E220-R224 PolarHBondContact O-N 3.29Å
221N90.4Very high89Confident72 Ų7298.1 Ų98.139%0.38548%0.48SS..Hα-helixtrans-64.3-34.9175-79.3-63.8000112.1Q217 E219 R224 V225Q217-N221 WeakPolarHBondContact O-CB 3.33Å; Q217-N221 PolarHBondContact O-N 3.46Å; Q217-N221 VanDerWaalsContact O-N 3.08Å; Q217-N221 PolarHBondContact O-ND2 2.93Å; E219-N221 PolarHBondContact O-N 3.43Å; N221-R224 VanDerWaalsContact OD1-CZ 3.26Å; N221-R224 PolarHBondContact OD1-NH1 3.03Å; N221-R224 PolarHBondContact OD1-NH2 3.45Å; N221-V225 WeakPolarHBondContact O-CG2 3.19Å; N221-V225 PolarHBondContact O-N 2.65Å
222F92.8Very high89Confident132 Ų13293.8 Ų93.858%0.57947%0.469SS*.Hα-helixtrans-66.3-50.7174.6177.4-96.7000111.6A218 E219 E220 R224 V225 E226A218-F222 PolarHBondContact O-N 3.22Å; E219-F222 WeakPolarHBondContact O-CB 3.44Å; E219-F222 PolarHBondContact O-N 2.89Å; E219-F222 VanDerWaalsContact O-N 3.12Å; E220-F222 VanDerWaalsContact C-N 3.3Å; E220-F222 PolarHBondContact O-N 3.14Å; F222-R224 VanDerWaalsContact C-N 3.31Å; F222-R224 PolarHBondContact O-N 2.94Å; F222-V225 PolarHBondContact O-N 3.31Å; F222-V225 VanDerWaalsContact O-N 3.13Å; F222-E226 PolarHBondContact O-N 3.19Å
223Y86.4Confident89Confident142 Ų14291.8 Ų91.856%0.55746%0.457SS*.Hα-helixtrans-56.8-43.4177.1-72.5-57.9000112.3E219 E220 V225 E226 E227E219-Y223 HydrophobicContact CG-CD2 4.26Å; E219-Y223 HydrophobicContact CG-CE2 3.67Å; E219-Y223 WeakPolarHBondContact O-CD2 3.48Å; E219-Y223 PolarHBondContact O-N 2.82Å; E219-Y223 WeakPolarHBondContact OE1-CE2 3.48Å; E219-Y223 PolarHBondContact OE1-OH 3.4Å; E220-Y223 PolarHBondContact O-N 2.8Å; Y223-V225 VanDerWaalsContact C-N 3.32Å; Y223-V225 PolarHBondContact O-N 3.44Å; Y223-E226 PolarHBondContact O-N 2.84Å; Y223-E227 WeakPolarHBondContact O-CB 3.26Å; Y223-E227 PolarHBondContact O-N 3.15Å
224R94Very high89Confident112 Ų11289.8 Ų89.842%0.42345%0.45SS..Hα-helixtrans-65.2-33178.9-166-178.169.1-117.3-8.4113.1E220 N221 F222 Q228E220-R224 WeakPolarHBondContact O-CB 3.35Å; E220-R224 PolarHBondContact O-N 3.29Å; N221-R224 VanDerWaalsContact OD1-CZ 3.26Å; N221-R224 PolarHBondContact OD1-NH1 3.03Å; N221-R224 PolarHBondContact OD1-NH2 3.45Å; F222-R224 VanDerWaalsContact C-N 3.31Å; F222-R224 PolarHBondContact O-N 2.94Å; R224-Q228 VanDerWaalsContact O-CG 3.28Å; R224-Q228 WeakPolarHBondContact O-CG 3.47Å; R224-Q228 PolarHBondContact O-N 3.4Å
225V88.2Confident89.5Confident85 Ų8590.7 Ų90.752%0.51545%0.449SS..Hα-helixtrans-73-41.3175.2168.70000110.9N221 F222 Y223 Q228 R229N221-V225 WeakPolarHBondContact O-CG2 3.19Å; N221-V225 PolarHBondContact O-N 2.65Å; F222-V225 PolarHBondContact O-N 3.31Å; F222-V225 VanDerWaalsContact O-N 3.13Å; Y223-V225 VanDerWaalsContact C-N 3.32Å; Y223-V225 PolarHBondContact O-N 3.44Å; V225-Q228 PolarHBondContact O-N 3.48Å; V225-R229 PolarHBondContact O-N 2.91Å
226E86.6Confident90.1Very high63 Ų6396.1 Ų96.129%0.29446%0.459SS..Hα-helixtrans-69.7-36.1178.6-170.657.3-15900112.1F222 Y223 R229 L230F222-E226 PolarHBondContact O-N 3.19Å; Y223-E226 PolarHBondContact O-N 2.84Å; E226-R229 VanDerWaalsContact CD-NE 3.26Å; E226-R229 WeakPolarHBondContact O-CB 3.44Å; E226-R229 PolarHBondContact O-N 3.2Å; E226-R229 IonicContact OE1-CZ 2.66Å; E226-R229 IonicContact OE1-NE 2.8Å; E226-R229 PolarHBondContact OE1-NE 3.13Å; E226-R229 IonicContact OE1-NH2 2.85Å; E226-R229 PolarHBondContact OE1-NH2 3.43Å; E226-R229 WeakPolarHBondContact OE2-CD 3.48Å; E226-R229 IonicContact OE2-NE 3.32Å; E226-R229 PolarHBondContact OE2-NE 2.77Å; E226-L230 HydrophobicContact CG-CD1 4.49Å; E226-L230 PolarHBondContact O-N 3.02Å
227E89.9Confident90.2Very high106 Ų10698.6 Ų98.650%0.49546%0.457SS..Hα-helixtrans-60.9-45.4170.2-170.1-167.9-179.200111.4Y223 R229 L230 Q231Y223-E227 WeakPolarHBondContact O-CB 3.26Å; Y223-E227 PolarHBondContact O-N 3.15Å; E227-R229 VanDerWaalsContact C-N 3.25Å; E227-R229 PolarHBondContact O-N 3.22Å; E227-L230 PolarHBondContact O-N 2.93Å; E227-Q231 WeakPolarHBondContact O-CB 3.36Å; E227-Q231 WeakPolarHBondContact O-CG 3.24Å; E227-Q231 PolarHBondContact O-N 2.83Å; E227-Q231 PolarHBondContact OE1-NE2 3.18Å; E227-Q231 VanDerWaalsContact OE1-NE2 3.13Å
228Q92.4Very high90.4Very high110 Ų110100.6 Ų100.651%0.51447%0.466SS..Hα-helixtrans-62.3-33.4174.7-75.81783.300112.5R224 V225 A232R224-Q228 VanDerWaalsContact O-CG 3.28Å; R224-Q228 WeakPolarHBondContact O-CG 3.47Å; R224-Q228 PolarHBondContact O-N 3.4Å; V225-Q228 PolarHBondContact O-N 3.48Å; Q228-A232 VanDerWaalsContact O-CB 3.28Å; Q228-A232 WeakPolarHBondContact O-CB 3.41Å; Q228-A232 PolarHBondContact O-N 2.77Å
229R93.1Very high90.8Very high112 Ų11299.6 Ų99.642%0.42346%0.458SS..Hα-helixtrans-67.1-49175.2-160.4-166.768.164.98.5111.2V225 E226 E227 A232 E233V225-R229 PolarHBondContact O-N 2.91Å; E226-R229 VanDerWaalsContact CD-NE 3.26Å; E226-R229 WeakPolarHBondContact O-CB 3.44Å; E226-R229 PolarHBondContact O-N 3.2Å; E226-R229 IonicContact OE1-CZ 2.66Å; E226-R229 IonicContact OE1-NE 2.8Å; E226-R229 PolarHBondContact OE1-NE 3.13Å; E226-R229 IonicContact OE1-NH2 2.85Å; E226-R229 PolarHBondContact OE1-NH2 3.43Å; E226-R229 WeakPolarHBondContact OE2-CD 3.48Å; E226-R229 IonicContact OE2-NE 3.32Å; E226-R229 PolarHBondContact OE2-NE 2.77Å; E227-R229 VanDerWaalsContact C-N 3.25Å; E227-R229 PolarHBondContact O-N 3.22Å; R229-A232 PolarHBondContact O-N 2.81Å; R229-A232 VanDerWaalsContact O-N 3.16Å; R229-E233 IonicContact CZ-OE2 2.74Å; R229-E233 IonicContact NH1-OE2 2.73Å; R229-E233 PolarHBondContact NH1-OE2 3.03Å; R229-E233 IonicContact NH2-OE2 3.17Å; R229-E233 PolarHBondContact O-N 3.09Å
230L88.6Confident91.1Very high79 Ų7999 Ų9941%0.41446%0.455SS..Hα-helixtrans-57.9-51.9175.3-77.2159.5000111.4E226 E227 A232 E233 D234E226-L230 HydrophobicContact CG-CD1 4.49Å; E226-L230 PolarHBondContact O-N 3.02Å; E227-L230 PolarHBondContact O-N 2.93Å; L230-A232 PolarHBondContact O-N 2.91Å; L230-E233 WeakPolarHBondContact O-CA 3.45Å; L230-E233 WeakPolarHBondContact O-CB 3.45Å; L230-E233 PolarHBondContact O-N 3.14Å; L230-D234 PolarHBondContact O-N 2.9Å
231Q93.2Very high91.3Very high81 Ų8198 Ų9838%0.37945%0.45SS..Hα-helixtrans-60-29.3176.3-68.5179.61700113.3E227 R235E227-Q231 WeakPolarHBondContact O-CB 3.36Å; E227-Q231 WeakPolarHBondContact O-CG 3.24Å; E227-Q231 PolarHBondContact O-N 2.83Å; E227-Q231 PolarHBondContact OE1-NE2 3.18Å; E227-Q231 VanDerWaalsContact OE1-NE2 3.13Å; Q231-R235 WeakPolarHBondContact O-CB 3.3Å; Q231-R235 VanDerWaalsContact O-CG 3.3Å; Q231-R235 WeakPolarHBondContact O-CG 3.39Å; Q231-R235 PolarHBondContact O-N 3.4Å; Q231-R235 PolarHBondContact O-NE 3.06Å; Q231-R235 PolarHBondContact O-NH2 2.98Å
232A92.4Very high91.6Very high43 Ų4397.3 Ų97.336%0.35546%0.455SS..Hα-helixtrans-77.8-26.6174.800000113Q228 R229 L230 R236Q228-A232 VanDerWaalsContact O-CB 3.28Å; Q228-A232 WeakPolarHBondContact O-CB 3.41Å; Q228-A232 PolarHBondContact O-N 2.77Å; R229-A232 PolarHBondContact O-N 2.81Å; R229-A232 VanDerWaalsContact O-N 3.16Å; L230-A232 PolarHBondContact O-N 2.91Å; A232-R236 WeakPolarHBondContact O-CG 3.24Å
233E88.4Confident91.6Very high64 Ų6497.5 Ų97.530%0.29945%0.452SS..Hα-helixtrans-76.3-44.7174.1-152.4179.7113.900110.8R229 L230 R236 R237R229-E233 IonicContact CZ-OE2 2.74Å; R229-E233 IonicContact NH1-OE2 2.73Å; R229-E233 PolarHBondContact NH1-OE2 3.03Å; R229-E233 IonicContact NH2-OE2 3.17Å; R229-E233 PolarHBondContact O-N 3.09Å; L230-E233 WeakPolarHBondContact O-CA 3.45Å; L230-E233 WeakPolarHBondContact O-CB 3.45Å; L230-E233 PolarHBondContact O-N 3.14Å; E233-R236 WeakPolarHBondContact O-CA 3.17Å; E233-R236 VanDerWaalsContact O-CB 3.31Å; E233-R236 WeakPolarHBondContact O-CB 3.5Å; E233-R236 PolarHBondContact O-N 2.89Å; E233-R237 PolarHBondContact O-N 3.24Å; E233-R237 VanDerWaalsContact O-N 3.13Å; E233-R237 IonicContact OE1-CZ 3.63Å; E233-R237 VanDerWaalsContact OE1-CZ 3.3Å; E233-R237 IonicContact OE1-NH1 3.3Å; E233-R237 PolarHBondContact OE1-NH1 2.87Å; E233-R237 IonicContact OE1-NH2 3.77Å; E233-R237 PolarHBondContact OE1-NH2 3.29Å
234D91.1Very high91.9Very high72 Ų7295.4 Ų95.439%0.38545%0.447SS..Hα-helixtrans-67.6-38.5177.9-65.9-26.8000111.9L230 R236 R237 E238L230-D234 PolarHBondContact O-N 2.9Å; D234-R236 PolarHBondContact O-N 3.31Å; D234-R236 VanDerWaalsContact O-N 3.17Å; D234-R237 WeakPolarHBondContact O-CB 3.29Å; D234-R237 PolarHBondContact O-N 3.27Å; D234-R237 IonicContact OD1-CZ 3Å; D234-R237 IonicContact OD1-NH1 2.84Å; D234-R237 PolarHBondContact OD1-NH1 3.09Å; D234-E238 WeakPolarHBondContact O-CG 3.46Å; D234-E238 PolarHBondContact O-N 2.99Å
235R94.5Very high91.8Very high131 Ų13195.6 Ų95.649%0.49446%0.456SS..Hα-helixtrans-61.1-22.1169.6-78.2-175.2-63.9-103.1-4.4113.8Q231 A239Q231-R235 WeakPolarHBondContact O-CB 3.3Å; Q231-R235 VanDerWaalsContact O-CG 3.3Å; Q231-R235 WeakPolarHBondContact O-CG 3.39Å; Q231-R235 PolarHBondContact O-N 3.4Å; Q231-R235 PolarHBondContact O-NE 3.06Å; Q231-R235 PolarHBondContact O-NH2 2.98Å; R235-A239 VanDerWaalsContact O-CB 3.22Å; R235-A239 WeakPolarHBondContact O-CB 3.35Å; R235-A239 PolarHBondContact O-N 3.33Å
236R92.7Very high92Very high178 Ų17896.7 Ų96.767%0.67246%0.455SS*.Hα-helixtrans-76.2-45.8170.3-71.3173.8176.8-152.4-0.8111A232 E233 D234 A239 E240A232-R236 WeakPolarHBondContact O-CG 3.24Å; E233-R236 WeakPolarHBondContact O-CA 3.17Å; E233-R236 VanDerWaalsContact O-CB 3.31Å; E233-R236 WeakPolarHBondContact O-CB 3.5Å; E233-R236 PolarHBondContact O-N 2.89Å; D234-R236 PolarHBondContact O-N 3.31Å; D234-R236 VanDerWaalsContact O-N 3.17Å; R236-A239 CarbonylContact O-C 3.37Å; R236-A239 PolarHBondContact O-N 3.13Å; R236-E240 WeakPolarHBondContact O-CB 3.49Å; R236-E240 WeakPolarHBondContact O-CG 3.33Å; R236-E240 PolarHBondContact O-N 3.18Å
237R91.6Very high92.1Very high107 Ų10798.8 Ų98.840%0.40447%0.466SS..Hα-helixtrans-56.8-49.2174.2-63.6176172.1100.613.8111.8E233 D234 A239 E240 H241E233-R237 PolarHBondContact O-N 3.24Å; E233-R237 VanDerWaalsContact O-N 3.13Å; E233-R237 IonicContact OE1-CZ 3.63Å; E233-R237 VanDerWaalsContact OE1-CZ 3.3Å; E233-R237 IonicContact OE1-NH1 3.3Å; E233-R237 PolarHBondContact OE1-NH1 2.87Å; E233-R237 IonicContact OE1-NH2 3.77Å; E233-R237 PolarHBondContact OE1-NH2 3.29Å; D234-R237 WeakPolarHBondContact O-CB 3.29Å; D234-R237 PolarHBondContact O-N 3.27Å; D234-R237 IonicContact OD1-CZ 3Å; D234-R237 IonicContact OD1-NH1 2.84Å; D234-R237 PolarHBondContact OD1-NH1 3.09Å; R237-A239 VanDerWaalsContact C-N 3.34Å; R237-A239 PolarHBondContact O-N 3.2Å; R237-E240 WeakPolarHBondContact O-CB 3.17Å; R237-E240 PolarHBondContact O-N 3.39Å; R237-E240 VanDerWaalsContact O-N 3.11Å; R237-H241 PolarHBondContact O-CD2 3.06Å; R237-H241 VanDerWaalsContact O-CD2 3.29Å; R237-H241 PolarHBondContact O-N 3.11Å
238E93.3Very high92Very high132 Ų13299.2 Ų99.262%0.61747%0.471SS*.Hα-helixtrans-58.2-45.3175.1-71.2179154.400111.6D234 E240 A242D234-E238 WeakPolarHBondContact O-CG 3.46Å; D234-E238 PolarHBondContact O-N 2.99Å; E238-E240 VanDerWaalsContact C-N 3.29Å; E238-E240 PolarHBondContact O-N 3.4Å; E238-A242 WeakPolarHBondContact O-CB 3.4Å; E238-A242 PolarHBondContact O-N 3.08Å
239A93.4Very high91.9Very high42 Ų4299.9 Ų99.935%0.34747%0.474SS..Hα-helixtrans-68.2-27.7176.900000112.8R235 R236 R237 R243R235-A239 VanDerWaalsContact O-CB 3.22Å; R235-A239 WeakPolarHBondContact O-CB 3.35Å; R235-A239 PolarHBondContact O-N 3.33Å; R236-A239 CarbonylContact O-C 3.37Å; R236-A239 PolarHBondContact O-N 3.13Å; R237-A239 VanDerWaalsContact C-N 3.34Å; R237-A239 PolarHBondContact O-N 3.2Å; A239-R243 VanDerWaalsContact O-CG 3.29Å; A239-R243 WeakPolarHBondContact O-CG 3.28Å; A239-R243 PolarHBondContact O-N 3.41Å; A239-R243 PolarHBondContact O-NH1 2.91Å
240E90.4Very high91.6Very high88 Ų8899.4 Ų99.441%0.41148%0.478SS..Hα-helixtrans-72.5-54175-81.7153.9-163.600110.5R236 R237 E238 A242 R243 E244R236-E240 WeakPolarHBondContact O-CB 3.49Å; R236-E240 WeakPolarHBondContact O-CG 3.33Å; R236-E240 PolarHBondContact O-N 3.18Å; R237-E240 WeakPolarHBondContact O-CB 3.17Å; R237-E240 PolarHBondContact O-N 3.39Å; R237-E240 VanDerWaalsContact O-N 3.11Å; E238-E240 VanDerWaalsContact C-N 3.29Å; E238-E240 PolarHBondContact O-N 3.4Å; E240-A242 VanDerWaalsContact C-N 3.26Å; E240-A242 PolarHBondContact O-N 3.24Å; E240-R243 WeakPolarHBondContact O-CA 3.4Å; E240-R243 WeakPolarHBondContact O-CB 3.48Å; E240-R243 PolarHBondContact O-N 3.48Å; E240-R243 IonicContact OE1-NH2 3.73Å; E240-E244 WeakPolarHBondContact O-CG 3.4Å; E240-E244 PolarHBondContact O-N 3.48Å
241H94.6Very high91.5Very high107 Ų107100.2 Ų100.250%0.49548%0.482SS..Hα-helixtrans-58.9-35.2173.5-64.2-39.5000112.9R237 R243 E244 L245R237-H241 PolarHBondContact O-CD2 3.06Å; R237-H241 VanDerWaalsContact O-CD2 3.29Å; R237-H241 PolarHBondContact O-N 3.11Å; H241-R243 VanDerWaalsContact C-N 3.34Å; H241-R243 PolarHBondContact O-N 2.74Å; H241-E244 WeakPolarHBondContact CA-OE2 3.43Å; H241-E244 IonicContact CE1-OE2 2.67Å; H241-E244 IonicContact CG-OE2 2.79Å; H241-E244 IonicContact ND1-OE2 3.97Å; H241-E244 PolarHBondContact ND1-OE2 3.12Å; H241-E244 PolarHBondContact O-N 2.94Å; H241-L245 WeakPolarHBondContact O-CB 3.34Å; H241-L245 VanDerWaalsContact O-CG 3.27Å; H241-L245 WeakPolarHBondContact O-CG 3.06Å; H241-L245 PolarHBondContact O-N 3.06Å
242A95.1Very high91Very high58 Ų5899.2 Ų99.248%0.47949%0.488SS..Hα-helixtrans-64.6-35.2172.800000112.8E238 E240 H246E238-A242 WeakPolarHBondContact O-CB 3.4Å; E238-A242 PolarHBondContact O-N 3.08Å; E240-A242 VanDerWaalsContact C-N 3.26Å; E240-A242 PolarHBondContact O-N 3.24Å; A242-H246 VanDerWaalsContact O-CB 3.26Å; A242-H246 WeakPolarHBondContact O-CB 3.45Å; A242-H246 PolarHBondContact O-N 3.28Å
243R94.1Very high90.4Very high136 Ų136103 Ų10351%0.51350%0.498SS..Hα-helixtrans-71.2-41.8173.3-71.1-175-48.3-93.322.6111.4A239 E240 H241 H246 M247A239-R243 VanDerWaalsContact O-CG 3.29Å; A239-R243 WeakPolarHBondContact O-CG 3.28Å; A239-R243 PolarHBondContact O-N 3.41Å; A239-R243 PolarHBondContact O-NH1 2.91Å; E240-R243 WeakPolarHBondContact O-CA 3.4Å; E240-R243 WeakPolarHBondContact O-CB 3.48Å; E240-R243 PolarHBondContact O-N 3.48Å; E240-R243 IonicContact OE1-NH2 3.73Å; H241-R243 VanDerWaalsContact C-N 3.34Å; H241-R243 PolarHBondContact O-N 2.74Å; R243-H246 PolarHBondContact O-N 2.83Å; R243-M247 WeakPolarHBondContact O-CG 3.4Å; R243-M247 PolarHBondContact O-N 3.05Å
244E92.4Very high89.8Confident98 Ų98105 Ų10546%0.45852%0.515SS..Hα-helixtrans-59.9-50.7175.7-67.1172.7151.600111.7E240 H241 H246 M247 L248E240-E244 WeakPolarHBondContact O-CG 3.4Å; E240-E244 PolarHBondContact O-N 3.48Å; H241-E244 WeakPolarHBondContact CA-OE2 3.43Å; H241-E244 IonicContact CE1-OE2 2.67Å; H241-E244 IonicContact CG-OE2 2.79Å; H241-E244 IonicContact ND1-OE2 3.97Å; H241-E244 PolarHBondContact ND1-OE2 3.12Å; H241-E244 PolarHBondContact O-N 2.94Å; E244-H246 VanDerWaalsContact C-N 3.32Å; E244-H246 PolarHBondContact O-N 2.89Å; E244-M247 PolarHBondContact O-N 3.22Å; E244-L248 PolarHBondContact O-N 3.38Å
245L92.6Very high89Confident116 Ų116109.6 Ų109.661%0.60753%0.532SS*.Hα-helixtrans-61-39176.3-72.9168.2000112.2H241 L248 Q249H241-L245 WeakPolarHBondContact O-CB 3.34Å; H241-L245 VanDerWaalsContact O-CG 3.27Å; H241-L245 WeakPolarHBondContact O-CG 3.06Å; H241-L245 PolarHBondContact O-N 3.06Å; L245-L248 PolarHBondContact O-N 2.88Å; L245-Q249 WeakPolarHBondContact O-CB 3.28Å; L245-Q249 PolarHBondContact O-N 3.25Å
246H92.4Very high87.8Confident108 Ų108108 Ų10850%0.554%0.541SS..Hα-helixtrans-65-40.8175.6-174.664.1000112.2A242 R243 E244 Q249 M250A242-H246 VanDerWaalsContact O-CB 3.26Å; A242-H246 WeakPolarHBondContact O-CB 3.45Å; A242-H246 PolarHBondContact O-N 3.28Å; R243-H246 PolarHBondContact O-N 2.83Å; E244-H246 VanDerWaalsContact C-N 3.32Å; E244-H246 PolarHBondContact O-N 2.89Å; H246-Q249 PolarHBondContact O-N 3.38Å; H246-M250 WeakPolarHBondContact O-CG 3.47Å; H246-M250 PolarHBondContact O-N 3.29Å
247M88.3Confident86.1Confident107 Ų107104.3 Ų104.353%0.52754%0.542SS..Hα-helixtrans-64.3-43173.8-70.3-174.6-63.800111.9R243 E244 Q249 M250 L251R243-M247 WeakPolarHBondContact O-CG 3.4Å; R243-M247 PolarHBondContact O-N 3.05Å; E244-M247 PolarHBondContact O-N 3.22Å; M247-Q249 VanDerWaalsContact C-N 3.31Å; M247-Q249 PolarHBondContact O-N 2.95Å; M247-M250 PolarHBondContact O-N 3.21Å; M247-L251 PolarHBondContact O-N 3.34Å
248L88.2Confident84.3Confident115 Ų115102 Ų10260%0.60255%0.551SS**Hα-helixtrans-58.8-41.5172.3-10276.4000112E244 L245 L251 A252E244-L248 PolarHBondContact O-N 3.38Å; L245-L248 PolarHBondContact O-N 2.88Å; L248-L251 WeakPolarHBondContact O-CB 3.33Å; L248-L251 PolarHBondContact O-N 2.97Å; L248-A252 WeakPolarHBondContact O-CB 3.45Å; L248-A252 PolarHBondContact O-N 3.4Å
249Q89.9Confident82.2Confident123 Ų123106.7 Ų106.758%0.57556%0.563SS**Hα-helixtrans-69.9-36.5-179.8-167.5170.213.200112.4L245 H246 M247 A252 Q253L245-Q249 WeakPolarHBondContact O-CB 3.28Å; L245-Q249 PolarHBondContact O-N 3.25Å; H246-Q249 PolarHBondContact O-N 3.38Å; M247-Q249 VanDerWaalsContact C-N 3.31Å; M247-Q249 PolarHBondContact O-N 2.95Å; Q249-A252 PolarHBondContact O-N 2.94Å; Q249-Q253 WeakPolarHBondContact O-CG 3.5Å; Q249-Q253 PolarHBondContact O-N 3.17Å
250M86.7Confident79.9Confident103 Ų103110.4 Ų110.451%0.50758%0.584SS.*Hα-helixtrans-65-43.7171.3-69.8-142.2-62.400111.8H246 M247 A252 Q253 V254H246-M250 WeakPolarHBondContact O-CG 3.47Å; H246-M250 PolarHBondContact O-N 3.29Å; M247-M250 PolarHBondContact O-N 3.21Å; M250-A252 VanDerWaalsContact C-N 3.34Å; M250-A252 PolarHBondContact O-N 3.48Å; M250-Q253 PolarHBondContact O-N 2.7Å; M250-V254 WeakPolarHBondContact O-CG2 3.47Å; M250-V254 PolarHBondContact O-N 3.43Å
251L86.5Confident77.8Confident96 Ų96112 Ų11250%0.50361%0.605SS.*Hα-helixtrans-55.8-47.9172.5-83.8160.4000111.4M247 L248 Q253 V254 F255M247-L251 PolarHBondContact O-N 3.34Å; L248-L251 WeakPolarHBondContact O-CB 3.33Å; L248-L251 PolarHBondContact O-N 2.97Å; L251-Q253 VanDerWaalsContact C-N 3.31Å; L251-Q253 PolarHBondContact O-N 2.81Å; L251-V254 PolarHBondContact O-N 3.33Å; L251-V254 VanDerWaalsContact O-N 3.15Å; L251-F255 HydrophobicContact CD2-CE2 4.35Å; L251-F255 VanDerWaalsContact O-CD2 3.26Å; L251-F255 WeakPolarHBondContact O-CD2 3.32Å; L251-F255 PolarHBondContact O-N 3.49Å
252A82Confident75.2Confident60 Ų60112.6 Ų112.650%0.49662%0.621SS.*Hα-helixtrans-60.3-36.8177.900000113L248 Q249 M250 S256L248-A252 WeakPolarHBondContact O-CB 3.45Å; L248-A252 PolarHBondContact O-N 3.4Å; Q249-A252 PolarHBondContact O-N 2.94Å; M250-A252 VanDerWaalsContact C-N 3.34Å; M250-A252 PolarHBondContact O-N 3.48Å; A252-S256 VanDerWaalsContact O-CB 3.32Å; A252-S256 WeakPolarHBondContact O-CB 3.47Å; A252-S256 PolarHBondContact O-N 2.97Å
253Q80.6Confident72.7Confident122 Ų122115.6 Ų115.657%0.5764%0.639SS**Hα-helixtrans-68.2-37.2174.8-74.7-177-600112.8Q249 M250 L251 S256 S257Q249-Q253 WeakPolarHBondContact O-CG 3.5Å; Q249-Q253 PolarHBondContact O-N 3.17Å; M250-Q253 PolarHBondContact O-N 2.7Å; L251-Q253 VanDerWaalsContact C-N 3.31Å; L251-Q253 PolarHBondContact O-N 2.81Å; Q253-S256 PolarHBondContact O-N 3.13Å; Q253-S257 WeakPolarHBondContact O-CB 3.24Å; Q253-S257 PolarHBondContact O-N 2.95Å; Q253-S257 PolarHBondContact O-OG 3.45Å
254V75.7Confident70Confident106 Ų106114.4 Ų114.464%0.64265%0.651SS**Hα-helixtrans-64.2-46.3174.3174.20000110.8M250 L251 S256 S257 G258M250-V254 WeakPolarHBondContact O-CG2 3.47Å; M250-V254 PolarHBondContact O-N 3.43Å; L251-V254 PolarHBondContact O-N 3.33Å; L251-V254 VanDerWaalsContact O-N 3.15Å; V254-S256 PolarHBondContact O-N 3.3Å; V254-S257 PolarHBondContact O-N 3.44Å; V254-G258 PolarHBondContact O-N 3.4Å
255F74.9Confident67.3Low169 Ų169115.2 Ų115.274%0.74167%0.667SS**Hα-helixtrans-64.8-36.2175.8-78.2-69.4000113.3L251 G258L251-F255 HydrophobicContact CD2-CE2 4.35Å; L251-F255 VanDerWaalsContact O-CD2 3.26Å; L251-F255 WeakPolarHBondContact O-CD2 3.32Å; L251-F255 PolarHBondContact O-N 3.49Å; F255-G258 PolarHBondContact O-N 3.48Å
256S68Low64.6Low98 Ų98114.7 Ų114.769%0.68567%0.673SS**Hα-helixtrans-67.6-35.4176.5-1650000112.6A252 Q253 V254 G258A252-S256 VanDerWaalsContact O-CB 3.32Å; A252-S256 WeakPolarHBondContact O-CB 3.47Å; A252-S256 PolarHBondContact O-N 2.97Å; Q253-S256 PolarHBondContact O-N 3.13Å; V254-S256 PolarHBondContact O-N 3.3Å; S256-G258 VanDerWaalsContact C-N 3.28Å; S256-G258 PolarHBondContact O-N 3.4Å
257S57.7Low62.1Low99 Ų99115.6 Ų115.669%0.69269%0.687SS**Hα-helixtrans-77.4-9.7-179.7-54.80000114Q253 V254 R259Q253-S257 WeakPolarHBondContact O-CB 3.24Å; Q253-S257 PolarHBondContact O-N 2.95Å; Q253-S257 PolarHBondContact O-OG 3.45Å; V254-S257 PolarHBondContact O-N 3.44Å; S257-R259 VanDerWaalsContact C-N 3.28Å; S257-R259 PolarHBondContact O-N 2.76Å
258G53.4Low60.7Low59 Ų59115.9 Ų115.961%0.60870%0.697SS**THydrogen-bonded Turntrans-78.29.3-173.700000116.7V254 F255 S256 P260V254-G258 PolarHBondContact O-N 3.4Å; F255-G258 PolarHBondContact O-N 3.48Å; S256-G258 VanDerWaalsContact C-N 3.28Å; S256-G258 PolarHBondContact O-N 3.4Å; G258-P260 VanDerWaalsContact O-CD 3.3Å; G258-P260 WeakPolarHBondContact O-CD 3.45Å
259R48.9Very low58Low230 Ų230120.3 Ų120.387%0.86871%0.711SS**  trans-96.3106.2179.8-71.8-171177.3-138.1-0.5111.8S257S257-R259 VanDerWaalsContact C-N 3.28Å; S257-R259 PolarHBondContact O-N 2.76Å
260P46.3Very low55.7Low120 Ų120119.9 Ų119.978%0.77972%0.719SS**  trans-67.6136.1169.729.1-34000110.3G258G258-P260 VanDerWaalsContact O-CD 3.3Å; G258-P260 WeakPolarHBondContact O-CD 3.45Å
261S46.3Very low53.3Low123 Ų123120 Ų12086%0.8673%0.73SS**  trans-77.6121.717342.10000110.8
262S39.5Very low51.9Low119 Ų119121 Ų12183%0.83274%0.742SS**  trans-113.2119.3164.552.20000109.4
263S42.6Very low50.6Low121 Ų121123.6 Ų123.685%0.84675%0.754SS**  trans-108.9118.3-176.5440000111.3
264S37.2Very low48.3Very low110 Ų110122.1 Ų122.177%0.76976%0.763SS**  trans-153.8115.5163.144.50000113
265S36.5Very low46.1Very low115 Ų115128.4 Ų128.480%0.80478%0.775SS**  trans23.6119.3149.356.60000120.9
266S34.9Very low44.7Very low105 Ų105125.7 Ų125.773%0.73477%0.774SS**  trans-64.1157150.154.80000110.9
267T40Very low44.4Very low127 Ų127126.5 Ų126.578%0.77978%0.777SS**  -162.4-15453.952.40000110.3
268P58.3Low43.2Very low113 Ų113127.5 Ų127.573%0.73478%0.779SS**  -130.2167.6-110.239.5-19000117.3
269K32.3Very low42.5Very low209 Ų209132.3 Ų132.391%0.90979%0.789SS**  trans-166.5165.2146-108.9174.9-179-178.60111.4
270P40.6Very low41.5Very low114 Ų114127 Ų12774%0.7479%0.787SS**  trans-104.2171.5-150.140.9-40.7000117.4
271S37.8Very low40.8Very low106 Ų106126.2 Ų126.274%0.74178%0.784SS**  trans-64.3178.2156.554.30000111.9
272P55.7Low40.3Very low115 Ų115126.4 Ų126.475%0.74778%0.781SS**  cis-133.8-1501843.5-21.3000111.6
273P55.2Low41.1Very low116 Ų116126.2 Ų126.275%0.75378%0.776SS**  cis-139.1173.4-5.541.7-22.5000118.4
274A32.2Very low41.6Very low91 Ų91125.2 Ų125.275%0.75277%0.767SS**  trans33.6134.3141.100000124.6
275R30.4Very low41.6Very low238 Ų238124.8 Ų124.890%0.89876%0.764SS**  9.5152.8118.1-92.1-172.5178.6-140.21.6118.6
276P44.8Very low41.5Very low112 Ų112127.2 Ų127.273%0.72776%0.762SS**  cis-135.3-152.824.846.7-27.7000112.2
277P62.4Low41.4Very low115 Ų115129.2 Ų129.275%0.74776%0.76SS**  trans-108.8-169.3-169.941.6-31.8000114
278V32.8Very low41Very low119 Ų119128.9 Ų128.972%0.72176%0.758SS**  trans147.3117.5141.11650000113.3
279I37Very low39.7Very low161 Ų161134.9 Ų134.983%0.82677%0.766SS**  trans17.2131.3141.1-32.3165.8000119.5
280S29.8Very low39.5Very low119 Ų119128.4 Ų128.483%0.83276%0.758SS**  trans-154155.4141.5-167.60000112.8
281S30.3Very low39.8Very low102 Ų102129.1 Ų129.171%0.71376%0.763SS**  trans-92162.7-166.350.40000116.7
282T36Very low40.5Very low128 Ų128130.2 Ų130.279%0.78577%0.768SS**  trans-36176.4147.243.40000116.5
283P56.5Low39.1Very low115 Ų115128.4 Ų128.475%0.74777%0.77SS**  cis-124.2-128.95.232.6-7.3000110.8
284P53.4Low38Very low100 Ų100131.2 Ų131.265%0.64977%0.773SS**  cis-140.9148.3-24.633.1-11000119.2
285S36.3Very low37.8Very low100 Ų100132.9 Ų132.970%0.69977%0.768SS**  trans78.4164.6133.974.80000124.8
286Q34Very low37.7Very low166 Ų166130.6 Ų130.678%0.77677%0.765SS**  trans87.8139.4164.9-47.9-157.825.400118.4
287H33.4Very low36.9Very low147 Ų147135.7 Ų135.768%0.68177%0.77SS**  cis-167.9130.7-17.9-123-64.7000114.5
288T32.3Very low35.5Very low120 Ų120136.1 Ų136.174%0.73677%0.772SS**  trans57.7167.515342.50000120.5
289R30.3Very low35.2Very low239 Ų239134.1 Ų134.190%0.90277%0.768SS**  cis-156.5137.85-121.7166.4-1731782.7105.8
290G29.2Very low34.6Very low73 Ų73131.4 Ų131.475%0.75376%0.764SS**  85150.373.100000113.8
291P46.9Very low34.4Very low130 Ų130134.1 Ų134.184%0.84476%0.763SS**  cis-138.3-142.8-1.548.2-26.2000113.5
292P50.9Low34.1Very low129 Ų129135.3 Ų135.384%0.83877%0.766SS**  -136.8-172.5-125.739.8-15.3000119.1
293G27.6Very low33.4Very low77 Ų77135.6 Ų135.679%0.79476%0.763SS**  trans-152.513917100000115.6
294H32Very low31.8Very low175 Ų175134.2 Ų134.281%0.8176%0.756SS**  trans-80.5167.2-176.4-97.5-144.1000114.5
295L28Very low30.3Very low125 Ų125138.6 Ų138.665%0.65477%0.765SS**  cis-173.5165.4-20.9-158.674.3000110.6
296K27.2Very low29.7Very low191 Ų191139.7 Ų139.783%0.8377%0.773SS**  trans80.6131.6151.8-91.9175.1-177.7-1790122.6
297R27.8Very low29.2Very low219 Ų219140.4 Ų140.483%0.82678%0.776SS**  trans-102.5158.3155.2-167.7-170.4-178-164.73.7108.1
298P33.9Very low29.7Very low124 Ų124138.6 Ų138.681%0.80578%0.778SS**  -146.7-154.511339.7-22.9000112.7
299A25.6Very low30.1Very low77 Ų77138.8 Ų138.864%0.63678%0.781SS**  trans-151.3175.1-175.500000113.8
300S26.4Very low29.8Very low104 Ų104132.2 Ų132.273%0.72777%0.772SS**  trans71.3116.9153.458.60000123.9
301Q24.8Very low29.6Very low176 Ų176135.4 Ų135.482%0.82278%0.776SS**  84.1151.6129-69.1-176.910.200123.8
302T23.9Very low28.5Very low127 Ų127136.6 Ų136.678%0.77978%0.776SS**  trans63.415316752.40000118.9
303D21.2Very low28.3Very low134 Ų134135.4 Ų135.472%0.71777%0.768SS**  cis-155.8155.94.4-134.9-32.8000116.4
304S22.2Very low28.2Very low86 Ų86141.6 Ų141.660%0.60178%0.776SS**  trans55132.2136.1-78.60000129.9
305F22.4Very low27.9Very low192 Ų192137.4 Ų137.484%0.84277%0.772SS**  trans66.3117.8138.6-83.1-76.9000125.9
306S23.7Very low27.9Very low122 Ų122139.9 Ų139.985%0.85379%0.785SS**  172.8169.5115.6-75.60000114.7
307Q23.7Very low27.8Very low182 Ų182134.3 Ų134.385%0.8578%0.782SS**  trans-135.8-179-164.9-88.8-166.8-1400113.5
308P44.4Very low27.8Very low109 Ų109130.5 Ų130.571%0.70878%0.783SS**  cis-118-99.7-2824.6-1.1000110.8
309P39Very low27.4Very low123 Ų123136.1 Ų136.180%0.79979%0.788SS**  cis-111.4-143.8-6.541.6-25.7000114.5
310S24.3Very low27.4Very low102 Ų102139 Ų13971%0.71380%0.802SS**  trans-124.5155.7-160.1550000116.7
311T24.7Very low27.3Very low139 Ų139138 Ų13885%0.85381%0.807SS**  -169.6134123.7270000113.4
312D24.8Very low27.3Very low155 Ų155132.9 Ų132.983%0.82980%0.802SS**  trans-106.9-167.4163-76.8-61.2000109.6
313P47.3Very low27.4Very low105 Ų105133 Ų13368%0.68280%0.802SS**  -128.2168.9-71.139.2-25.2000112.4
314Q25.3Very low27.6Very low207 Ų207133.1 Ų133.197%0.96781%0.812SS**  trans-160.1171.6156.3-125.815297.600115.6
315A25.5Very low27.8Very low86 Ų86136 Ų13671%0.71182%0.816SS**  trans-111.4-159.1-165.100000113.3
316L27.7Very low28Very low178 Ų178136.4 Ų136.493%0.93282%0.82SS**  trans82.6134-170.7-51.1166.3000113.2
317G24.5Very low28.2Very low74 Ų74138.6 Ų138.676%0.76382%0.815SS**  cis121.164.5-3.900000113.7
318V27.9Very low28.5Very low139 Ų139138.5 Ų138.584%0.84282%0.819SS**  trans-126.8130.6176.7179.50000110.3
319R25.6Very low27.8Very low242 Ų242143.1 Ų143.191%0.91383%0.828SS**  trans-86.9142.7167.8-67.3173168.6-175.3-4.3109.7
320C26Very low27.3Very low138 Ų138141.4 Ų141.493%0.93283%0.833SS**  trans-127.5136.5146.2-81.70000109.1
321G24.5Very low27.4Very low82 Ų82139.7 Ų139.785%0.84583%0.831SS**  trans-149.9160.6175.600000109.3
322G25Very low27.6Very low69 Ų69138.3 Ų138.371%0.71183%0.834SS**  trans13183.1-163.300000107.7
323V26.2Very low27.9Very low128 Ų128136.8 Ų136.878%0.77683%0.83SS**  61.295.463.3-170.90000111.6
324C25.6Very low27.1Very low137 Ų137138 Ų13893%0.92683%0.83SS**  trans-123.5115144-73.50000106.3
325E26.7Very low27.2Very low148 Ų148134.9 Ų134.969%0.69282%0.815SS**  trans-102107.6-180-178.8-168.5144.300108.5K327E325-K327 IonicContact OE1-NZ 3.26Å
326E26.7Very low27.5Very low199 Ų199137.7 Ų137.793%0.9381%0.807SS**  trans-109.2149.5163.5-91.2-148.8121.400111.6
327K27.1Very low27.6Very low168 Ų168138.9 Ų138.973%0.7380%0.801SS**  trans-127.976.1-142.6-169172.5-167.9145.50112.6E325E325-K327 IonicContact OE1-NZ 3.26Å
328L30.6Very low28.2Very low181 Ų181142.6 Ų142.695%0.94879%0.793SS**  trans-97.4143.4171.5-77.4164.6000111.5
329K28.3Very low28.6Very low205 Ų205141.8 Ų141.889%0.89179%0.793SS**  trans-103.1142.2-171.3-66.1176.1179.1174.20111.4
330G29.7Very low29.4Very low88 Ų88138 Ų13891%0.90779%0.79SS**  trans86.755.5141.500000117.5
331G26.8Very low30Very low65 Ų65133.9 Ų133.967%0.6777%0.771SS**  trans-144.4120.9162.500000110.1V333G331-V333 PolarHBondContact O-N 2.99Å
332A28.7Very low31Very low110 Ų110136.1 Ų136.191%0.90977%0.774SS**  trans-85.761.3-177.800000111.6L334A332-L334 PolarHBondContact O-N 2.92Å
333V31.3Very low31.9Very low124 Ų124136.8 Ų136.875%0.75277%0.768SS**  trans-69.4111172.6-177.40000108.3G331 E335G331-V333 PolarHBondContact O-N 2.99Å; V333-E335 HydrophobicContact CG1-CB 4.46Å; V333-E335 PolarHBondContact O-N 2.98Å
334L29Very low32.8Very low131 Ų131135 Ų13569%0.68676%0.761SS**  trans-83.859-176.3-165.2108.5000111.5A332 R336A332-L334 PolarHBondContact O-N 2.92Å; L334-R336 HydrophobicContact CD2-CG 4.23Å; L334-R336 HydrophobicContact CG-CG 4.42Å; L334-R336 PolarHBondContact O-N 2.83Å
335E28.8Very low33.9Very low140 Ų140136.6 Ų136.665%0.65476%0.76SS**  trans-68.2103.5-179.9-169172.8-139.500110.7V333 Y337V333-E335 HydrophobicContact CG1-CB 4.46Å; V333-E335 PolarHBondContact O-N 2.98Å; E335-Y337 HydrophobicContact CG-CD2 4.08Å; E335-Y337 HydrophobicContact CG-CE2 3.75Å; E335-Y337 WeakPolarHBondContact OE1-CE2 3.47Å
336R30.7Very low35Very low145 Ų145133.1 Ų133.155%0.54776%0.763SS.*  trans-114.397.2176.3-69.2-167.2-172.9162.65.6111.3L334 Y338L334-R336 HydrophobicContact CD2-CG 4.23Å; L334-R336 HydrophobicContact CG-CG 4.42Å; L334-R336 PolarHBondContact O-N 2.83Å; R336-Y338 HydrophobicContact CB-CD2 4.11Å; R336-Y338 HydrophobicContact CB-CE2 3.69Å; R336-Y338 VanDerWaalsContact CD-OH 3.29Å; R336-Y338 WeakPolarHBondContact CD-OH 3.44Å; R336-Y338 HydrophobicContact CG-CE2 4.42Å; R336-Y338 PolarHBondContact NH1-OH 2.77Å; R336-Y338 PolarHBondContact O-N 2.91Å
337Y29.8Very low36.4Very low203 Ų203125.2 Ų125.280%0.79674%0.736SS**  trans-74.2114.2160-72.1-83.7000109.8E335E335-Y337 HydrophobicContact CG-CD2 4.08Å; E335-Y337 HydrophobicContact CG-CE2 3.75Å; E335-Y337 WeakPolarHBondContact OE1-CE2 3.47Å
338Y36.8Very low37.9Very low153 Ų153120.8 Ų120.860%0.672%0.718SS**  trans-94.2101.8170.8-74.5-83.2000109.6R336R336-Y338 HydrophobicContact CB-CD2 4.11Å; R336-Y338 HydrophobicContact CB-CE2 3.69Å; R336-Y338 VanDerWaalsContact CD-OH 3.29Å; R336-Y338 WeakPolarHBondContact CD-OH 3.44Å; R336-Y338 HydrophobicContact CG-CE2 4.42Å; R336-Y338 PolarHBondContact NH1-OH 2.77Å; R336-Y338 PolarHBondContact O-N 2.91Å
339S36.1Very low39.8Very low121 Ų121117.3 Ų117.385%0.84670%0.701SS**  trans-84.2117.8169.7-1670000109.4G341S339-G341 PolarHBondContact O-N 3.02Å; S339-G341 VanDerWaalsContact O-N 3.09Å
340L42.9Very low42.1Very low162 Ų162113.3 Ų113.385%0.84869%0.689SS**  trans-76.595.1-177.7-80.1165.4000111.1
341G38Very low44.6Very low52 Ų52114.9 Ų114.954%0.53668%0.677SS.*  trans-69.6126168.800000111.4S339 S343S339-G341 PolarHBondContact O-N 3.02Å; S339-G341 VanDerWaalsContact O-N 3.09Å; G341-S343 PolarHBondContact O-N 3.46Å
342S46.4Very low47.4Very low129 Ų129116.3 Ų116.390%0.90267%0.668SS**  trans-80100.1-175.9179.10000112.8
343S44.4Very low50.1Low84 Ų84114.3 Ų114.359%0.58764%0.644SS**  trans-162.6131.1162.6460000114.6G341 M348G341-S343 PolarHBondContact O-N 3.46Å; S343-M348 WeakPolarHBondContact O-CE 3.26Å
344S44Very low52.7Low89 Ų89111.8 Ų111.862%0.62263%0.632SS**  trans6694.1168.862.90000119.6G346S344-G346 PolarHBondContact O-N 3.48Å
345L49.2Very low55.5Low172 Ų172108.9 Ų108.990%0.90162%0.617SS**THydrogen-bonded Turntrans-65.814.2171.9-74.498.9000116.1
346G50.1Low58.2Low74 Ų74105.9 Ų105.976%0.76361%0.608SS**THydrogen-bonded Turntrans-109.9-15-170.400000116.3S344S344-G346 PolarHBondContact O-N 3.48Å
347G55.7Low60.8Low34 Ų34105.9 Ų105.935%0.35161%0.612SS.*THydrogen-bonded Turntrans-135.3-16.6-177.300000114.7D349 D350 D351G347-D349 VanDerWaalsContact C-N 3.25Å; G347-D349 PolarHBondContact O-N 3Å; G347-D350 PolarHBondContact O-N 2.91Å; G347-D351 PolarHBondContact O-N 3.05Å
348M59.3Low63.6Low75 Ų75100.5 Ų100.537%0.36960%0.604SS.*Hα-helixtrans-57.9-35.8-179.8-73.9179.1152.400112.8S343 D351 I352S343-M348 WeakPolarHBondContact O-CE 3.26Å; M348-D351 PolarHBondContact O-N 3.4Å; M348-I352 WeakPolarHBondContact O-CB 3.3Å; M348-I352 WeakPolarHBondContact O-CD1 3.25Å; M348-I352 WeakPolarHBondContact O-CG1 3.29Å; M348-I352 PolarHBondContact O-N 2.71Å
349D69.8Low66Low108 Ų10898.8 Ų98.858%0.57860%0.604SS**Hα-helixtrans-67.1-41.7-179.5-63.4-58.5000112.7G347 I352 V353G347-D349 VanDerWaalsContact C-N 3.25Å; G347-D349 PolarHBondContact O-N 3Å; D349-I352 PolarHBondContact O-N 2.87Å; D349-V353 WeakPolarHBondContact O-CB 3.44Å; D349-V353 WeakPolarHBondContact O-CG2 3.44Å; D349-V353 PolarHBondContact O-N 2.94Å
350D75.9Confident68.4Low120 Ų12097.6 Ų97.664%0.64259%0.591SS**Hα-helixtrans-67.7-37.5176.5-95.7-45.7000111.6G347 S354G347-D350 PolarHBondContact O-N 2.91Å; D350-S354 WeakPolarHBondContact O-CB 3.29Å; D350-S354 PolarHBondContact O-N 3.2Å
351D81.9Confident70.5Confident122 Ų12292.5 Ų92.565%0.65257%0.568SS**Hα-helixtrans-65.4-43.9173.9-80.1-29.7000112G347 M348 S354 L355G347-D351 PolarHBondContact O-N 3.05Å; M348-D351 PolarHBondContact O-N 3.4Å; D351-S354 WeakPolarHBondContact O-CB 3.45Å; D351-S354 PolarHBondContact O-N 3.47Å; D351-L355 WeakPolarHBondContact O-CB 3.47Å; D351-L355 PolarHBondContact O-N 2.79Å
352I86.9Confident72.8Confident95 Ų9594.7 Ų94.749%0.48757%0.572SS.*Hα-helixtrans-64.5-45.1175.6-71.7165.2000110.5M348 D349 S354 L355 V356M348-I352 WeakPolarHBondContact O-CB 3.3Å; M348-I352 WeakPolarHBondContact O-CD1 3.25Å; M348-I352 WeakPolarHBondContact O-CG1 3.29Å; M348-I352 PolarHBondContact O-N 2.71Å; D349-I352 PolarHBondContact O-N 2.87Å; I352-S354 VanDerWaalsContact C-N 3.3Å; I352-S354 PolarHBondContact O-N 2.97Å; I352-L355 WeakPolarHBondContact O-CB 3.48Å; I352-L355 PolarHBondContact O-N 2.73Å; I352-V356 WeakPolarHBondContact O-CG2 3.14Å; I352-V356 PolarHBondContact O-N 2.95Å
353V84.4Confident74.7Confident67 Ų6796.4 Ų96.441%0.40657%0.571SS.*Hα-helixtrans-65.6-34.7177.5165.70000111.1D349 K357D349-V353 WeakPolarHBondContact O-CB 3.44Å; D349-V353 WeakPolarHBondContact O-CG2 3.44Å; D349-V353 PolarHBondContact O-N 2.94Å; V353-K357 HydrophobicContact CG1-CD 4.19Å; V353-K357 VanDerWaalsContact CG1-NZ 3.32Å; V353-K357 WeakPolarHBondContact O-CB 3.37Å; V353-K357 WeakPolarHBondContact O-CD 3.47Å; V353-K357 WeakPolarHBondContact O-CG 3.49Å; V353-K357 PolarHBondContact O-N 3.33Å
354S85.9Confident76.7Confident71 Ų7195.8 Ų95.850%0.49756%0.563SS.*Hα-helixtrans-64.8-46.5171.6-169.40000111.6D350 D351 I352 V356 K357 S358D350-S354 WeakPolarHBondContact O-CB 3.29Å; D350-S354 PolarHBondContact O-N 3.2Å; D351-S354 WeakPolarHBondContact O-CB 3.45Å; D351-S354 PolarHBondContact O-N 3.47Å; I352-S354 VanDerWaalsContact C-N 3.3Å; I352-S354 PolarHBondContact O-N 2.97Å; S354-V356 PolarHBondContact O-N 3.45Å; S354-K357 WeakPolarHBondContact O-CB 3.4Å; S354-K357 PolarHBondContact O-N 3.44Å; S354-S358 PolarHBondContact O-N 3.08Å; S354-S358 VanDerWaalsContact O-N 3.12Å
355L87.4Confident78.9Confident71 Ų7197.9 Ų97.937%0.37258%0.578SS.*Hα-helixtrans-59.7-46.6175.2-179.562.2000111.8D351 I352 K357 S358 I359D351-L355 WeakPolarHBondContact O-CB 3.47Å; D351-L355 PolarHBondContact O-N 2.79Å; I352-L355 WeakPolarHBondContact O-CB 3.48Å; I352-L355 PolarHBondContact O-N 2.73Å; L355-K357 PolarHBondContact O-N 3.01Å; L355-S358 WeakPolarHBondContact O-CB 3.27Å; L355-S358 PolarHBondContact O-N 2.73Å; L355-S358 PolarHBondContact O-OG 3.03Å; L355-I359 HydrophobicContact CD1-CD1 4.36Å; L355-I359 HydrophobicContact CG-CD1 4.12Å; L355-I359 WeakPolarHBondContact O-CG1 3.29Å; L355-I359 PolarHBondContact O-N 3.26Å
356V86Confident80.9Confident77 Ų7798.7 Ų98.747%0.46758%0.575SS.*Hα-helixtrans-61.1-43176.7171.30000111.5I352 S354 S358 I359 V360I352-V356 WeakPolarHBondContact O-CG2 3.14Å; I352-V356 PolarHBondContact O-N 2.95Å; S354-V356 PolarHBondContact O-N 3.45Å; V356-S358 PolarHBondContact O-N 2.95Å; V356-I359 PolarHBondContact O-N 3.44Å; V356-V360 HydrophobicContact CG1-CG2 4.39Å; V356-V360 PolarHBondContact O-N 3.12Å
357K85.2Confident82.7Confident145 Ų14598.7 Ų98.763%0.6355%0.553SS**Hα-helixtrans-59.6-27.6174.1-73.2162.2-173.6163.40113V353 S354 L355V353-K357 HydrophobicContact CG1-CD 4.19Å; V353-K357 VanDerWaalsContact CG1-NZ 3.32Å; V353-K357 WeakPolarHBondContact O-CB 3.37Å; V353-K357 WeakPolarHBondContact O-CD 3.47Å; V353-K357 WeakPolarHBondContact O-CG 3.49Å; V353-K357 PolarHBondContact O-N 3.33Å; S354-K357 WeakPolarHBondContact O-CB 3.4Å; S354-K357 PolarHBondContact O-N 3.44Å; L355-K357 PolarHBondContact O-N 3.01Å
358S88.3Confident84.3Confident89 Ų89103 Ų10362%0.62256%0.564SS**Hα-helixtrans-79.6-21175.381.50000114.5S354 L355 V356S354-S358 PolarHBondContact O-N 3.08Å; S354-S358 VanDerWaalsContact O-N 3.12Å; L355-S358 WeakPolarHBondContact O-CB 3.27Å; L355-S358 PolarHBondContact O-N 2.73Å; L355-S358 PolarHBondContact O-OG 3.03Å; V356-S358 PolarHBondContact O-N 2.95Å
359I87.6Confident85.7Confident118 Ų118106.4 Ų106.461%0.60558%0.577SS**Hα-helixtrans-88.9-38.8-176.8-67.5165000110.8L355 V356 P361L355-I359 HydrophobicContact CD1-CD1 4.36Å; L355-I359 HydrophobicContact CG-CD1 4.12Å; L355-I359 WeakPolarHBondContact O-CG1 3.29Å; L355-I359 PolarHBondContact O-N 3.26Å; V356-I359 PolarHBondContact O-N 3.44Å; I359-P361 WeakPolarHBondContact O-CD 3.47Å
360V87.9Confident86.5Confident95 Ų95101.5 Ų101.558%0.57655%0.552SS**SBendtrans-70.7119.9-178.1178.50000110.4V356V356-V360 HydrophobicContact CG1-CG2 4.39Å; V356-V360 PolarHBondContact O-N 3.12Å
361P85.8Confident87.2Confident56 Ų5699.6 Ų99.636%0.36454%0.539SS..PPolyproline II helixtrans-69.8140.8-177.927.7-34.3000111.7I359 L363 D372I359-P361 WeakPolarHBondContact O-CD 3.47Å; P361-L363 PolarHBondContact O-N 2.82Å; P361-D372 HydrophobicContact CG-CB 3.98Å
362P86.4Confident87.5Confident97 Ų9796 Ų9663%0.6352%0.52SS*.PPolyproline II helixtrans-70.4131.5176.627.7-33.9000111.2T364 K367P362-T364 PolarHBondContact O-N 3.24Å; P362-K367 PolarHBondContact O-NZ 3.34Å
363L85.8Confident87.7Confident166 Ų16691.8 Ų91.887%0.86950%0.5SS*.PPolyproline II helixtrans-65.3124.6171.7-64.1175.4000109.9P361P361-L363 PolarHBondContact O-N 2.82Å
364T87.5Confident88.3Confident70 Ų7091.6 Ų91.643%0.42949%0.492SS..  trans-140.4146.9177.867.50000111.2P362 K366 K367P362-T364 PolarHBondContact O-N 3.24Å; T364-K366 PolarHBondContact O-N 2.87Å; T364-K367 PolarHBondContact O-N 3.04Å; T364-K367 VanDerWaalsContact O-N 3.11Å
365S90.6Very high88.8Confident133 Ų13390.1 Ų90.193%0.9348%0.478SS*.THydrogen-bonded Turntrans-66.91.2-179.153.90000115.4
366K91.2Very high89.2Confident190 Ų19086.7 Ų86.783%0.82646%0.46SS*.THydrogen-bonded Turntrans-92.4-16174-65.2-177.6179.5179.20113.1T364T364-K366 PolarHBondContact O-N 2.87Å
367K87.9Confident89.7Confident73 Ų7383.1 Ų83.132%0.31744%0.438SS..  trans-88.5158.5-177.7-66.2-171.8-171.9179.10112.1P362 T364 Q371 D372P362-K367 PolarHBondContact O-NZ 3.34Å; T364-K367 PolarHBondContact O-N 3.04Å; T364-K367 VanDerWaalsContact O-N 3.11Å; K367-Q371 VanDerWaalsContact CB-OE1 3.26Å; K367-D372 WeakPolarHBondContact CD-OD2 3.47Å; K367-D372 WeakPolarHBondContact CE-OD2 3.47Å; K367-D372 IonicContact NZ-OD1 2.65Å; K367-D372 PolarHBondContact NZ-OD1 3.31Å; K367-D372 IonicContact NZ-OD2 2.7Å; K367-D372 PolarHBondContact NZ-OD2 2.92Å
368H88.4Confident90.2Very high126 Ų12676.2 Ų76.258%0.58341%0.408SS*.  trans-134.91611776468.6000111.7G370 Q371H368-G370 PolarHBondContact O-N 3.16Å; H368-Q371 PolarHBondContact CD2-NE2 3.38Å; H368-Q371 VanDerWaalsContact N-OE1 3.11Å; H368-Q371 PolarHBondContact NE2-NE2 2.9Å; H368-Q371 WeakPolarHBondContact O-CB 3.45Å; H368-Q371 WeakPolarHBondContact O-CG 3.31Å; H368-Q371 PolarHBondContact O-N 3.22Å
369K89.3Confident90.5Very high146 Ų14672 Ų7264%0.63538%0.378SS*.THydrogen-bonded Turntrans-49.1129.9-176.8-164.8176.9-169.5-178.90111.5D401 L402K369-D401 WeakPolarHBondContact CE-O 3.34Å; K369-D401 HydrophobicContact CG-CB 3.97Å; K369-L402 HydrophobicContact CD-CD2 4.19Å; K369-L402 VanDerWaalsContact CE-CD2 3.5Å; K369-L402 HydrophobicContact CG-CD2 4.46Å; K369-L402 HydrophobicContact CG-CG 4.34Å
370G87.1Confident90.8Very high5 Ų566.3 Ų66.35%0.05235%0.35CS..THydrogen-bonded Turntrans97.2-0.3179.900000114.2H368 R374 D401H368-G370 PolarHBondContact O-N 3.16Å; G370-R374 WeakPolarHBondContact O-CD 3.27Å; G370-R374 WeakPolarHBondContact O-CG 3.41Å; G370-R374 PolarHBondContact O-NH1 3.39Å; G370-D401 WeakPolarHBondContact CA-OD2 3.32Å; G370-D401 PolarHBondContact N-OD2 3.14Å
371Q89Confident90.9Very high80 Ų8062 Ų6237%0.37432%0.323SS..SBendtrans-85.9-34.6177.4-72.4-177.2-2400113.1K367 H368 D401 H445K367-Q371 VanDerWaalsContact CB-OE1 3.26Å; H368-Q371 PolarHBondContact CD2-NE2 3.38Å; H368-Q371 VanDerWaalsContact N-OE1 3.11Å; H368-Q371 PolarHBondContact NE2-NE2 2.9Å; H368-Q371 WeakPolarHBondContact O-CB 3.45Å; H368-Q371 WeakPolarHBondContact O-CG 3.31Å; H368-Q371 PolarHBondContact O-N 3.22Å; Q371-D401 PolarHBondContact N-OD2 3.4Å; Q371-H445 PolarHBondContact O-CE1 3.32Å
372D89.4Confident91.1Very high46 Ų4665.5 Ų65.525%0.24633%0.333CS..SBendtrans-104.12.8-173.3-75.4-16.6000114P361 K367 D401P361-D372 HydrophobicContact CG-CB 3.98Å; K367-D372 WeakPolarHBondContact CD-OD2 3.47Å; K367-D372 WeakPolarHBondContact CE-OD2 3.47Å; K367-D372 IonicContact NZ-OD1 2.65Å; K367-D372 PolarHBondContact NZ-OD1 3.31Å; K367-D372 IonicContact NZ-OD2 2.7Å; K367-D372 PolarHBondContact NZ-OD2 2.92Å; D372-D401 PolarHBondContact N-OD2 3.33Å
373G91.5Very high91.3Very high6 Ų666.4 Ų66.46%0.06233%0.333CS..  trans175.3126.1164.800000114.2D401 L402G373-D401 WeakPolarHBondContact O-CB 3.5Å; G373-D401 PolarHBondContact O-N 2.93Å; G373-D401 VanDerWaalsContact O-N 3.14Å; G373-L402 PolarHBondContact O-N 3.11Å
374R95.6Very high91.6Very high63 Ų6365.2 Ų65.224%0.23832%0.317CS..EExtended strand (participates in β ladder)trans-132.587.2174.5-54.3-164.4-57.4-89.2-5.1108.7G370 L402 R443 L444 H445G370-R374 WeakPolarHBondContact O-CD 3.27Å; G370-R374 WeakPolarHBondContact O-CG 3.41Å; G370-R374 PolarHBondContact O-NH1 3.39Å; R374-L402 WeakPolarHBondContact CA-O 3.43Å; R374-L402 HydrophobicContact CG-CB 4.34Å; R374-L402 HydrophobicContact CG-CD1 4.14Å; R374-R443 PolarHBondContact NE-O 2.92Å; R374-R443 PolarHBondContact NH2-O 3.33Å; R374-L444 HydrophobicContact CB-CD2 4.48Å; R374-L444 CarbonylContact O-C 3.55Å; R374-L444 WeakPolarHBondContact O-CA 3.4Å; R374-H445 PolarHBondContact NH1-CE1 3Å; R374-H445 VanDerWaalsContact NH1-CE1 3.33Å; R374-H445 PolarHBondContact NH1-NE2 3.02Å; R374-H445 PolarHBondContact NH2-CD2 2.82Å; R374-H445 PolarHBondContact NH2-NE2 3.18Å; R374-H445 VanDerWaalsContact NH2-NE2 3.11Å; R374-H445 PolarHBondContact O-N 3.04Å
375I96.6Very high92Very high40 Ų4062.9 Ų62.921%0.20530%0.303CS..EExtended strand (participates in β ladder)trans-98.9131.6-171.1-52.7-50.3000110.1I377 A395 L402 S403 H404 V448I375-I377 HydrophobicContact CG2-CD1 4.07Å; I375-A395 HydrophobicContact CB-CB 4.17Å; I375-A395 HydrophobicContact CG1-CB 4.18Å; I375-A395 HydrophobicContact CG2-CB 4.26Å; I375-L402 PolarHBondContact N-O 3.35Å; I375-S403 WeakPolarHBondContact O-CA 3.41Å; I375-H404 PolarHBondContact O-N 2.73Å; I375-V448 HydrophobicContact CG2-CG2 4.3Å
376G96.3Very high92.2Very high0 Ų057.5 Ų57.50%027%0.268CS..EExtended strand (participates in β ladder)trans-102142.6169.800000111.5H404 G446 L447 V448G376-H404 CarbonylContact C-O 3.52Å; G376-H404 WeakPolarHBondContact CA-O 3.29Å; G376-G446 PolarHBondContact N-O 3.23Å; G376-L447 CarbonylContact O-C 3.59Å; G376-L447 WeakPolarHBondContact O-CA 3.35Å; G376-V448 PolarHBondContact O-N 3.37Å
377I96.5Very high92.5Very high1 Ų150.5 Ų50.51%0.00525%0.246CC..EExtended strand (participates in β ladder)trans-124.1120.3176-60.183.8000106.8I375 P388 A391 A392 S403 H404 F406 V448 P451I375-I377 HydrophobicContact CG2-CD1 4.07Å; I377-P388 HydrophobicContact CG2-CB 4.16Å; I377-A391 HydrophobicContact CG1-CB 4.32Å; I377-A391 HydrophobicContact CG2-CB 4.22Å; I377-A392 HydrophobicContact CD1-CB 3.71Å; I377-A392 HydrophobicContact CG1-CB 4.1Å; I377-S403 WeakPolarHBondContact CD1-OG 3.31Å; I377-H404 WeakPolarHBondContact CD1-O 3.32Å; I377-H404 PolarHBondContact N-O 2.9Å; I377-F406 PolarHBondContact O-N 2.82Å; I377-V448 CarbonylContact C-O 3.48Å; I377-V448 WeakPolarHBondContact CA-O 3.34Å; I377-V448 HydrophobicContact CG1-CB 4.43Å; I377-P451 HydrophobicContact CG2-CB 4.38Å; I377-P451 HydrophobicContact CG2-CG 4.21Å
378I95.4Very high92.9Very high0 Ų047 Ų470%023%0.231CC..EExtended strand (participates in β ladder)trans-105.3109.9174.5-58.4-174.2000108.2F406 L428 I437 L447 V448 V449 G450 A463 C466I378-F406 HydrophobicContact CG1-CB 4.28Å; I378-F406 HydrophobicContact CG1-CD2 4.03Å; I378-L428 HydrophobicContact CG2-CD1 3.94Å; I378-L428 HydrophobicContact CG2-CD2 3.89Å; I378-L428 HydrophobicContact CG2-CG 4.33Å; I378-I437 HydrophobicContact CD1-CG2 4.09Å; I378-L447 HydrophobicContact CD1-CD1 3.99Å; I378-L447 HydrophobicContact CD1-CD2 3.91Å; I378-L447 HydrophobicContact CD1-CG 4.22Å; I378-L447 HydrophobicContact CG1-CD1 3.97Å; I378-L447 HydrophobicContact CG1-CG 4.41Å; I378-V448 PolarHBondContact N-O 3.07Å; I378-V449 HydrophobicContact CB-CG1 4.3Å; I378-V449 HydrophobicContact CB-CG2 4.27Å; I378-V449 HydrophobicContact CD1-CG2 4.28Å; I378-V449 HydrophobicContact CG1-CG2 4.48Å; I378-V449 HydrophobicContact CG2-CG1 4.44Å; I378-G450 PolarHBondContact O-N 3.04Å; I378-A463 HydrophobicContact CG2-CB 4.31Å; I378-C466 HydrophobicContact CD1-CB 3.84Å
379G93.9Very high93.3Very high0 Ų042.9 Ų42.90%021%0.21CC..  trans165.9173.9-175.300000113.2F406 C407 P451G379-F406 PolarHBondContact N-O 3.44Å; G379-C407 VanDerWaalsContact O-CA 3.3Å; G379-C407 WeakPolarHBondContact O-CA 3.37Å; G379-C407 VanDerWaalsContact O-CB 3.23Å; G379-C407 WeakPolarHBondContact O-CB 3.44Å; G379-P451 CarbonylContact C-O 3.54Å; G379-P451 VanDerWaalsContact CA-O 3.24Å; G379-P451 WeakPolarHBondContact CA-O 3.47Å
380G93.8Very high93.7Very high0 Ų042.2 Ų42.20%021%0.208CC..  trans90.487.3-170.700000111.9T408 P451 G452G380-T408 PolarHBondContact O-N 2.84Å; G380-T408 PolarHBondContact O-OG1 3.22Å; G380-P451 PolarHBondContact N-O 3.29Å; G380-P451 VanDerWaalsContact N-O 3.11Å; G380-G452 CarbonylContact C-O 3.41Å; G380-G452 WeakPolarHBondContact CA-O 3.3Å; G380-G452 PolarHBondContact N-O 3.36Å
381C90.8Very high94.2Very high3 Ų343.4 Ų43.42%0.0222%0.217CC..  trans-77.5-179.8155.875.40000110.3D383 Y384 G452 L459C381-D383 VanDerWaalsContact C-N 3.28Å; C381-D383 PolarHBondContact O-N 3.32Å; C381-Y384 PolarHBondContact O-N 3Å; C381-Y384 VanDerWaalsContact SG-CD2 3.59Å; C381-G452 PolarHBondContact N-O 3.05Å; C381-L459 HydrophobicContact CB-CD1 3.5Å
382K89.4Confident94.5Very high130 Ų13039.6 Ų39.657%0.56520%0.199SC*.SBendtrans-47-45-179.4-174.2173.3-177.1172.90114.3D410K382-D410 HydrophobicContact CG-CB 4.27Å
383D90.9Very high94.9Very high117 Ų11737.8 Ų37.863%0.62619%0.189SC*.SBendtrans-91.6-27.1-171.5-44.3-48.1000113.3C381C381-D383 VanDerWaalsContact C-N 3.28Å; C381-D383 PolarHBondContact O-N 3.32Å
384Y93.1Very high95.2Very high141 Ų14140.4 Ų40.455%0.55321%0.207SC*.  trans-107.956.1-169.7-64.4-59000113.3C381 P388C381-Y384 PolarHBondContact O-N 3Å; C381-Y384 VanDerWaalsContact SG-CD2 3.59Å; Y384-P388 WeakPolarHBondContact O-CD 3.2Å
385T95Very high95.1Very high21 Ų2138.4 Ų38.413%0.12920%0.204CC..  trans-72.2-31.7-17763.60000114.4P388 A411 V414 I415T385-P388 WeakPolarHBondContact O-CD 3.29Å; T385-P388 VanDerWaalsContact O-CG 3.31Å; T385-P388 WeakPolarHBondContact O-CG 3.15Å; T385-A411 HydrophobicContact CG2-CB 3.85Å; T385-V414 HydrophobicContact CG2-CB 4.09Å; T385-V414 HydrophobicContact CG2-CG1 4.26Å; T385-V414 HydrophobicContact CG2-CG2 4.36Å; T385-I415 WeakPolarHBondContact O-CG1 3.46Å
386G95.8Very high95Very high19 Ų1937.9 Ų37.920%0.19620%0.202CC..Hα-helixtrans-72.5-36.2-176.100000114.7Y389 F390G386-Y389 WeakPolarHBondContact O-CB 3.44Å; G386-Y389 PolarHBondContact O-N 3.18Å; G386-F390 WeakPolarHBondContact O-CD2 3.42Å; G386-F390 PolarHBondContact O-N 3Å
387A96.3Very high95Very high44 Ų4445.3 Ų45.336%0.36423%0.234SC..Hα-helixtrans-60.7-48.2-178.600000114.8Y389 F390 A391A387-Y389 VanDerWaalsContact C-N 3.32Å; A387-Y389 PolarHBondContact O-N 2.91Å; A387-F390 PolarHBondContact O-N 3.24Å; A387-A391 PolarHBondContact O-N 3.44Å
388P96.5Very high94.8Very high0 Ų051.7 Ų51.70%027%0.273CS..Hα-helixtrans-67.1-32.9174.829.4-37.9000112.1I377 Y384 T385 A391 A392 V405 I415 P451I377-P388 HydrophobicContact CG2-CB 4.16Å; Y384-P388 WeakPolarHBondContact O-CD 3.2Å; T385-P388 WeakPolarHBondContact O-CD 3.29Å; T385-P388 VanDerWaalsContact O-CG 3.31Å; T385-P388 WeakPolarHBondContact O-CG 3.15Å; P388-A391 PolarHBondContact O-N 2.75Å; P388-A392 WeakPolarHBondContact O-CB 3.45Å; P388-A392 PolarHBondContact O-N 2.9Å; P388-V405 HydrophobicContact CB-CG1 4Å; P388-I415 HydrophobicContact CB-CD1 4.48Å; P388-I415 HydrophobicContact CG-CD1 3.69Å; P388-I415 HydrophobicContact CG-CG1 4.47Å; P388-P451 HydrophobicContact CB-CB 4.49Å; P388-P451 WeakPolarHBondContact CD-O 3.49Å
389Y97.3Very high94.6Very high38 Ų3854.3 Ų54.315%0.14930%0.299CS..Hα-helixtrans-59.3-49.7171.9165.6-101.8000111.5G386 A387 A391 A392 I393 Y418 L422G386-Y389 WeakPolarHBondContact O-CB 3.44Å; G386-Y389 PolarHBondContact O-N 3.18Å; A387-Y389 VanDerWaalsContact C-N 3.32Å; A387-Y389 PolarHBondContact O-N 2.91Å; Y389-A391 VanDerWaalsContact C-N 3.35Å; Y389-A391 PolarHBondContact O-N 3.18Å; Y389-A392 PolarHBondContact O-N 3.11Å; Y389-A392 VanDerWaalsContact O-N 3.15Å; Y389-I393 HydrophobicContact CD1-CG2 4.5Å; Y389-I393 HydrophobicContact CD2-CB 4.43Å; Y389-I393 HydrophobicContact CE1-CG2 4.09Å; Y389-I393 HydrophobicContact CE2-CB 3.93Å; Y389-I393 HydrophobicContact CE2-CG1 4.18Å; Y389-I393 HydrophobicContact CE2-CG2 4.21Å; Y389-I393 WeakPolarHBondContact O-CB 3.19Å; Y389-I393 VanDerWaalsContact O-CG2 3.29Å; Y389-I393 WeakPolarHBondContact O-CG2 3.05Å; Y389-I393 PolarHBondContact O-N 2.64Å; Y389-Y418 HydrophobicContact CD1-CD2 4.04Å; Y389-Y418 HydrophobicContact CD1-CG 4.45Å; Y389-Y418 VanDerWaalsContact CD2-CB 3.49Å; Y389-Y418 AromaticContact CD2-CD2 3.88Å; Y389-Y418 HydrophobicContact CD2-CD2 3.88Å; Y389-Y418 HydrophobicContact CD2-CG 4.15Å; Y389-Y418 HydrophobicContact CE2-CG 4.38Å; Y389-Y418 AromaticContact CG-CD2 3.61Å; Y389-Y418 HydrophobicContact CG-CD2 3.61Å; Y389-Y418 HydrophobicContact CG-CE2 4.43Å; Y389-Y418 HydrophobicContact CG-CG 4.2Å; Y389-L422 HydrophobicContact CD2-CD1 3.55Å; Y389-L422 HydrophobicContact CE2-CD1 4.01Å
390F97.5Very high94.5Very high133 Ų13355 Ų5558%0.58331%0.306SS*.Hα-helixtrans-62.4-39.5-179.5-72.6-56.8000112.8G386 A387 S394G386-F390 WeakPolarHBondContact O-CD2 3.42Å; G386-F390 PolarHBondContact O-N 3Å; A387-F390 PolarHBondContact O-N 3.24Å; F390-S394 VanDerWaalsContact O-CB 3.24Å; F390-S394 WeakPolarHBondContact O-CB 3.43Å; F390-S394 PolarHBondContact O-N 3.43Å; F390-S394 PolarHBondContact O-OG 3.33Å
391A96.9Very high94.6Very high30 Ų3057.2 Ų57.225%0.24832%0.318CS..Hα-helixtrans-61.9-48171.900000111.6I377 A387 P388 Y389 S394 A395 P451I377-A391 HydrophobicContact CG1-CB 4.32Å; I377-A391 HydrophobicContact CG2-CB 4.22Å; A387-A391 PolarHBondContact O-N 3.44Å; P388-A391 PolarHBondContact O-N 2.75Å; Y389-A391 VanDerWaalsContact C-N 3.35Å; Y389-A391 PolarHBondContact O-N 3.18Å; A391-S394 PolarHBondContact O-N 3.47Å; A391-A395 PolarHBondContact O-N 3.32Å; A391-P451 HydrophobicContact CB-CB 4.17Å; A391-P451 HydrophobicContact CB-CG 4.01Å
392A96.9Very high94.8Very high0 Ų058.7 Ų58.70%033%0.325CS..Hα-helixtrans-69.8-40.7-174.100000114I377 P388 Y389 S394 A395 L396 S403 V405 L422I377-A392 HydrophobicContact CD1-CB 3.71Å; I377-A392 HydrophobicContact CG1-CB 4.1Å; P388-A392 WeakPolarHBondContact O-CB 3.45Å; P388-A392 PolarHBondContact O-N 2.9Å; Y389-A392 PolarHBondContact O-N 3.11Å; Y389-A392 VanDerWaalsContact O-N 3.15Å; A392-S394 VanDerWaalsContact C-N 3.34Å; A392-A395 PolarHBondContact O-N 3.22Å; A392-L396 PolarHBondContact O-N 2.9Å; A392-S403 WeakPolarHBondContact CA-OG 3.39Å; A392-S403 WeakPolarHBondContact CB-OG 3.4Å; A392-S403 WeakPolarHBondContact O-CB 3.46Å; A392-S403 PolarHBondContact O-OG 3.06Å; A392-V405 HydrophobicContact CB-CG2 3.36Å; A392-L422 HydrophobicContact CB-CD1 4.14Å; A392-L422 HydrophobicContact CB-CD2 3.81Å
393I97.1Very high95.2Very high7 Ų752.5 Ų52.54%0.03630%0.299CS..Hα-helixtrans-73.9-27.7177-161.361.3000111.8Y389 L396 K397Y389-I393 HydrophobicContact CD1-CG2 4.5Å; Y389-I393 HydrophobicContact CD2-CB 4.43Å; Y389-I393 HydrophobicContact CE1-CG2 4.09Å; Y389-I393 HydrophobicContact CE2-CB 3.93Å; Y389-I393 HydrophobicContact CE2-CG1 4.18Å; Y389-I393 HydrophobicContact CE2-CG2 4.21Å; Y389-I393 WeakPolarHBondContact O-CB 3.19Å; Y389-I393 VanDerWaalsContact O-CG2 3.29Å; Y389-I393 WeakPolarHBondContact O-CG2 3.05Å; Y389-I393 PolarHBondContact O-N 2.64Å; I393-L396 HydrophobicContact CD1-CD1 4.23Å; I393-L396 PolarHBondContact O-N 2.8Å; I393-K397 HydrophobicContact CG1-CD 4.16Å; I393-K397 WeakPolarHBondContact O-CB 3.32Å; I393-K397 VanDerWaalsContact O-CG 3.29Å; I393-K397 WeakPolarHBondContact O-CG 3.32Å; I393-K397 PolarHBondContact O-N 2.88Å
394S96.8Very high95.4Very high61 Ų6147.3 Ų47.343%0.42727%0.271SS..Hα-helixtrans-68.2-39.6173.9-61.50000111.2F390 A391 A392 L396 K397 V398F390-S394 VanDerWaalsContact O-CB 3.24Å; F390-S394 WeakPolarHBondContact O-CB 3.43Å; F390-S394 PolarHBondContact O-N 3.43Å; F390-S394 PolarHBondContact O-OG 3.33Å; A391-S394 PolarHBondContact O-N 3.47Å; A392-S394 VanDerWaalsContact C-N 3.34Å; S394-L396 VanDerWaalsContact C-N 3.32Å; S394-L396 PolarHBondContact O-N 3.18Å; S394-K397 PolarHBondContact O-N 3.28Å; S394-V398 WeakPolarHBondContact O-CB 3.48Å; S394-V398 VanDerWaalsContact O-CG2 3.31Å; S394-V398 WeakPolarHBondContact O-CG2 3.44Å; S394-V398 PolarHBondContact O-N 3.09Å
395A95.1Very high95.6Very high22 Ų2240.6 Ų40.618%0.18224%0.244CC..Hα-helixtrans-58.6-41.2173.700000112.7I375 A391 A392 G400I375-A395 HydrophobicContact CB-CB 4.17Å; I375-A395 HydrophobicContact CG1-CB 4.18Å; I375-A395 HydrophobicContact CG2-CB 4.26Å; A391-A395 PolarHBondContact O-N 3.32Å; A392-A395 PolarHBondContact O-N 3.22Å; A395-G400 PolarHBondContact O-N 2.83Å
396L94.7Very high95.7Very high29 Ų2939.7 Ų39.715%0.15224%0.239CC..Hα-helixtrans-66.6-47.3172.8-65.1-174.4000111.8A392 I393 S394 V398 G399 G400 E421 L422A392-L396 PolarHBondContact O-N 2.9Å; I393-L396 HydrophobicContact CD1-CD1 4.23Å; I393-L396 PolarHBondContact O-N 2.8Å; S394-L396 VanDerWaalsContact C-N 3.32Å; S394-L396 PolarHBondContact O-N 3.18Å; L396-V398 VanDerWaalsContact C-N 3.26Å; L396-V398 PolarHBondContact O-N 3.22Å; L396-G399 WeakPolarHBondContact O-CA 3.49Å; L396-G399 PolarHBondContact O-N 2.92Å; L396-G400 WeakPolarHBondContact CD2-O 3.46Å; L396-E421 HydrophobicContact CD1-CB 3.61Å; L396-L422 HydrophobicContact CD1-CD2 3.74Å; L396-L422 HydrophobicContact CG-CD2 4.34Å
397K94.8Very high95.7Very high156 Ų15638.8 Ų38.868%0.67823%0.229SC*.Hα-helixtrans-64.4-25.8-178.3-75.8168.4176.8165.40114.2I393 S394 G399I393-K397 HydrophobicContact CG1-CD 4.16Å; I393-K397 WeakPolarHBondContact O-CB 3.32Å; I393-K397 VanDerWaalsContact O-CG 3.29Å; I393-K397 WeakPolarHBondContact O-CG 3.32Å; I393-K397 PolarHBondContact O-N 2.88Å; S394-K397 PolarHBondContact O-N 3.28Å; K397-G399 VanDerWaalsContact C-N 3.32Å
398V92.4Very high95.6Very high135 Ų13537.1 Ų37.182%0.81822%0.215SC*.Hα-helixtrans-77-18.6172.1169.40000112.2S394 L396S394-V398 WeakPolarHBondContact O-CB 3.48Å; S394-V398 VanDerWaalsContact O-CG2 3.31Å; S394-V398 WeakPolarHBondContact O-CG2 3.44Å; S394-V398 PolarHBondContact O-N 3.09Å; L396-V398 VanDerWaalsContact C-N 3.26Å; L396-V398 PolarHBondContact O-N 3.22Å
399G91.5Very high95.5Very high54 Ų5443.8 Ų43.856%0.55724%0.244SC*.THydrogen-bonded Turntrans120.311175.200000115.7L396 K397L396-G399 WeakPolarHBondContact O-CA 3.49Å; L396-G399 PolarHBondContact O-N 2.92Å; K397-G399 VanDerWaalsContact C-N 3.32Å
400G92.8Very high95.3Very high14 Ų1446.4 Ų46.414%0.14426%0.26CS..  trans-70.6131.2175.200000112.3A395 L396 L402A395-G400 PolarHBondContact O-N 2.83Å; L396-G400 WeakPolarHBondContact CD2-O 3.46Å; G400-L402 VanDerWaalsContact C-N 3.32Å; G400-L402 PolarHBondContact O-N 3.35Å
401D94.6Very high95.1Very high47 Ų4740 Ų4025%0.25123%0.232SC..SBendtrans-61.2-35.9-178.4-74.2-52.1000114.2K369 G370 Q371 D372 G373K369-D401 WeakPolarHBondContact CE-O 3.34Å; K369-D401 HydrophobicContact CG-CB 3.97Å; G370-D401 WeakPolarHBondContact CA-OD2 3.32Å; G370-D401 PolarHBondContact N-OD2 3.14Å; Q371-D401 PolarHBondContact N-OD2 3.4Å; D372-D401 PolarHBondContact N-OD2 3.33Å; G373-D401 WeakPolarHBondContact O-CB 3.5Å; G373-D401 PolarHBondContact O-N 2.93Å; G373-D401 VanDerWaalsContact O-N 3.14Å
402L95.6Very high95Very high34 Ų3438.7 Ų38.718%0.17822%0.221CC..EExtended strand (participates in β ladder)trans-141.4133.3-171-72.2170.8000110.7K369 G373 R374 I375 G400 I423K369-L402 HydrophobicContact CD-CD2 4.19Å; K369-L402 VanDerWaalsContact CE-CD2 3.5Å; K369-L402 HydrophobicContact CG-CD2 4.46Å; K369-L402 HydrophobicContact CG-CG 4.34Å; G373-L402 PolarHBondContact O-N 3.11Å; R374-L402 WeakPolarHBondContact CA-O 3.43Å; R374-L402 HydrophobicContact CG-CB 4.34Å; R374-L402 HydrophobicContact CG-CD1 4.14Å; I375-L402 PolarHBondContact N-O 3.35Å; G400-L402 VanDerWaalsContact C-N 3.32Å; G400-L402 PolarHBondContact O-N 3.35Å; L402-I423 HydrophobicContact CD2-CD1 3.74Å
403S96.9Very high94.9Very high0 Ų043.9 Ų43.90%025%0.253CS..EExtended strand (participates in β ladder)trans-128.9118.7177.9-1690000109.3I375 I377 A392 I423I375-S403 WeakPolarHBondContact O-CA 3.41Å; I377-S403 WeakPolarHBondContact CD1-OG 3.31Å; A392-S403 WeakPolarHBondContact CA-OG 3.39Å; A392-S403 WeakPolarHBondContact CB-OG 3.4Å; A392-S403 WeakPolarHBondContact O-CB 3.46Å; A392-S403 PolarHBondContact O-OG 3.06Å; S403-I423 PolarHBondContact O-N 3.21Å
404H96.9Very high94.9Very high9 Ų946 Ų464%0.04227%0.266CS..EExtended strand (participates in β ladder)trans-111.3128.2-174.9-70.4-117.5000109.3I375 G376 I377 F406 I423 H425 W440 L444I375-H404 PolarHBondContact O-N 2.73Å; G376-H404 CarbonylContact C-O 3.52Å; G376-H404 WeakPolarHBondContact CA-O 3.29Å; I377-H404 WeakPolarHBondContact CD1-O 3.32Å; I377-H404 PolarHBondContact N-O 2.9Å; H404-F406 HydrophobicContact CB-CE2 4.07Å; H404-F406 HydrophobicContact CB-CZ 4.2Å; H404-I423 CarbonylContact C-O 3.56Å; H404-I423 WeakPolarHBondContact CA-O 3.19Å; H404-H425 AromaticContact CG-NE2 3.94Å; H404-H425 AromaticContact ND1-NE2 3.22Å; H404-H425 PolarHBondContact ND1-NE2 3.08Å; H404-W440 AromaticContact CE1-CE3 3.63Å; H404-W440 AromaticContact CE1-CZ3 3.4Å; H404-W440 VanDerWaalsContact CE1-CZ3 3.4Å; H404-W440 WeakPolarHBondContact CE1-CZ3 3.47Å; H404-W440 AromaticContact ND1-CE3 3.74Å; H404-W440 AromaticContact ND1-CZ3 3.87Å; H404-L444 HydrophobicContact CB-CD2 4.33Å
405V97.2Very high94.8Very high0 Ų043.1 Ų43.10%025%0.246CC..EExtended strand (participates in β ladder)trans-116.5110-179.6-171.70000109.9P388 A392 C407 I415 I423 V424 H425P388-V405 HydrophobicContact CB-CG1 4Å; A392-V405 HydrophobicContact CB-CG2 3.36Å; V405-C407 HydrophobicContact CG1-CB 4.22Å; V405-I415 HydrophobicContact CG1-CD1 4.3Å; V405-I415 HydrophobicContact CG1-CG2 4.47Å; V405-I423 PolarHBondContact N-O 3.43Å; V405-V424 HydrophobicContact CB-CG1 4.47Å; V405-V424 HydrophobicContact CB-CG2 4.27Å; V405-V424 HydrophobicContact CG2-CG2 4.46Å; V405-V424 CarbonylContact O-C 3.59Å; V405-V424 WeakPolarHBondContact O-CA 3.2Å; V405-H425 PolarHBondContact O-N 2.73Å
406F95.9Very high94.8Very high1 Ų146.9 Ų46.90%0.00426%0.258CS..EExtended strand (participates in β ladder)trans-91.6108.4171.7-52.4-82.3000107.9I377 I378 G379 H404 H425 V427 L428 I437 W440 L444I377-F406 PolarHBondContact O-N 2.82Å; I378-F406 HydrophobicContact CG1-CB 4.28Å; I378-F406 HydrophobicContact CG1-CD2 4.03Å; G379-F406 PolarHBondContact N-O 3.44Å; H404-F406 HydrophobicContact CB-CE2 4.07Å; H404-F406 HydrophobicContact CB-CZ 4.2Å; F406-H425 HydrophobicContact CD1-CB 3.73Å; F406-H425 AromaticContact CD1-CD2 3.93Å; F406-H425 AromaticContact CD1-CG 3.95Å; F406-H425 HydrophobicContact CE1-CB 4.13Å; F406-H425 AromaticContact CE1-CD2 3.67Å; F406-H425 AromaticContact CE1-CG 3.84Å; F406-V427 HydrophobicContact CB-CG2 4.31Å; F406-V427 HydrophobicContact CD1-CG2 3.95Å; F406-L428 VanDerWaalsContact O-CD1 3.29Å; F406-L428 WeakPolarHBondContact O-CD1 3.47Å; F406-I437 HydrophobicContact CB-CD1 4.23Å; F406-I437 HydrophobicContact CB-CG1 4.28Å; F406-I437 HydrophobicContact CD1-CG1 3.79Å; F406-I437 HydrophobicContact CE1-CG1 4.4Å; F406-I437 HydrophobicContact CG-CG1 4.09Å; F406-W440 HydrophobicContact CE1-CB 4.05Å; F406-W440 AromaticContact CE1-CD1 3.83Å; F406-W440 AromaticContact CE1-CG 3.99Å; F406-W440 HydrophobicContact CE1-CG 3.99Å; F406-W440 HydrophobicContact CZ-CB 3.67Å; F406-W440 AromaticContact CZ-CG 3.99Å; F406-W440 HydrophobicContact CZ-CG 3.99Å; F406-L444 HydrophobicContact CE2-CD1 4.05Å; F406-L444 HydrophobicContact CZ-CD1 4.4Å
407C95.6Very high94.9Very high0 Ų050 Ų500%028%0.282CS..EExtended strand (participates in β ladder)trans-134.6172.7-172.356.40000110.4G379 V405 A411 I415 V424 H425 V427 L428G379-C407 VanDerWaalsContact O-CA 3.3Å; G379-C407 WeakPolarHBondContact O-CA 3.37Å; G379-C407 VanDerWaalsContact O-CB 3.23Å; G379-C407 WeakPolarHBondContact O-CB 3.44Å; V405-C407 HydrophobicContact CG1-CB 4.22Å; C407-A411 HydrophobicContact CB-CB 4.28Å; C407-I415 HydrophobicContact CB-CD1 3.91Å; C407-V424 WeakPolarHBondContact SG-CG1 3.43Å; C407-H425 PolarHBondContact N-O 3.38Å; C407-H425 VanDerWaalsContact N-O 3.08Å; C407-V427 PolarHBondContact O-N 3.24Å; C407-L428 PolarHBondContact O-N 3.33Å
408T94.9Very high94.9Very high10 Ų1047.4 Ų47.46%0.06127%0.269CS..  trans-71.4154.2169.861.40000111.2G380 D410 A411 A412 L428 D429 L459G380-T408 PolarHBondContact O-N 2.84Å; G380-T408 PolarHBondContact O-OG1 3.22Å; T408-D410 VanDerWaalsContact C-N 3.3Å; T408-D410 PolarHBondContact O-N 3.49Å; T408-A411 PolarHBondContact O-N 3.23Å; T408-A411 VanDerWaalsContact O-N 3.13Å; T408-A412 PolarHBondContact O-N 2.86Å; T408-L428 HydrophobicContact CG2-CB 4.22Å; T408-D429 VanDerWaalsContact CA-OD1 3.26Å; T408-D429 WeakPolarHBondContact CA-OD1 3.32Å; T408-D429 HydrophobicContact CG2-CB 4.1Å; T408-L459 HydrophobicContact CG2-CD1 3.96Å; T408-L459 HydrophobicContact CG2-CD2 3.67Å; T408-L459 HydrophobicContact CG2-CG 4.49Å
409K94.7Very high95Very high140 Ų14041.6 Ų41.661%0.60923%0.234SC*.Hα-helixtrans-54.1-41.8179.5-174.3-179.4176-172.10113.9A412 P426 D429K409-A412 PolarHBondContact O-N 3.04Å; K409-P426 HydrophobicContact CB-CB 4.18Å; K409-P426 HydrophobicContact CG-CB 4.38Å; K409-D429 WeakPolarHBondContact CB-OD2 3.43Å; K409-D429 PolarHBondContact N-OD1 3.17Å
410D91.9Very high95.1Very high92 Ų9245.3 Ų45.349%0.49225%0.248SC..Hα-helixtrans-62.2-46.5176.4-70.42.6000111.3K382 T408 A412K382-D410 HydrophobicContact CG-CB 4.27Å; T408-D410 VanDerWaalsContact C-N 3.3Å; T408-D410 PolarHBondContact O-N 3.49Å; D410-A412 VanDerWaalsContact C-N 3.31Å; D410-A412 PolarHBondContact O-N 3.43Å
411A94.4Very high95.1Very high0 Ų050.8 Ų50.80%027%0.27CS..Hα-helixtrans-66.7-31.9179.900000113T385 C407 T408 T413 V414 I415T385-A411 HydrophobicContact CG2-CB 3.85Å; C407-A411 HydrophobicContact CB-CB 4.28Å; T408-A411 PolarHBondContact O-N 3.23Å; T408-A411 VanDerWaalsContact O-N 3.13Å; A411-T413 VanDerWaalsContact C-N 3.33Å; A411-T413 PolarHBondContact O-N 3.25Å; A411-V414 PolarHBondContact O-N 2.88Å; A411-I415 HydrophobicContact CB-CD1 4.02Å; A411-I415 WeakPolarHBondContact O-CG1 3.38Å; A411-I415 PolarHBondContact O-N 3.21Å
412A95.3Very high95.2Very high2 Ų249.1 Ų49.12%0.01726%0.261CS..Hα-helixtrans-61.6-35.7-171.700000114.2T408 K409 D410 K416 V424 P426T408-A412 PolarHBondContact O-N 2.86Å; K409-A412 PolarHBondContact O-N 3.04Å; D410-A412 VanDerWaalsContact C-N 3.31Å; D410-A412 PolarHBondContact O-N 3.43Å; A412-K416 WeakPolarHBondContact O-CB 3.21Å; A412-K416 WeakPolarHBondContact O-CD 2.84Å; A412-K416 WeakPolarHBondContact O-CG 3.44Å; A412-K416 PolarHBondContact O-N 3.27Å; A412-K416 VanDerWaalsContact O-N 3.1Å; A412-V424 HydrophobicContact CB-CG1 3.9Å; A412-P426 HydrophobicContact CB-CB 3.68Å; A412-P426 HydrophobicContact CB-CG 4.38Å
413T95Very high95.2Very high108 Ų10850.5 Ų50.566%0.66327%0.268SS*.Hα-helixtrans-66.5-42177.8-57.50000111.1A411 S417A411-T413 VanDerWaalsContact C-N 3.33Å; A411-T413 PolarHBondContact O-N 3.25Å; T413-S417 PolarHBondContact O-N 2.89Å
414V95.7Very high95.3Very high52 Ų5251 Ų5132%0.31527%0.272SS..Hα-helixtrans-68.3-46.1178.6-175.70000110.8T385 A411 K416 S417 Y418T385-V414 HydrophobicContact CG2-CB 4.09Å; T385-V414 HydrophobicContact CG2-CG1 4.26Å; T385-V414 HydrophobicContact CG2-CG2 4.36Å; A411-V414 PolarHBondContact O-N 2.88Å; V414-K416 VanDerWaalsContact C-N 3.28Å; V414-K416 PolarHBondContact O-N 3.35Å; V414-S417 PolarHBondContact O-N 2.81Å; V414-S417 VanDerWaalsContact O-N 3.11Å; V414-S417 PolarHBondContact O-OG 2.66Å; V414-Y418 HydrophobicContact CG1-CE1 4.24Å; V414-Y418 HydrophobicContact CG1-CE2 3.84Å; V414-Y418 WeakPolarHBondContact CG1-OH 3.13Å; V414-Y418 PolarHBondContact O-N 2.94Å
415I95.5Very high95.2Very high0 Ų051.9 Ų51.90%028%0.275CS..Hα-helixtrans-63.9-34.8-179.9-62.5163.9000111.4T385 P388 V405 C407 A411 Y418 L422 V424T385-I415 WeakPolarHBondContact O-CG1 3.46Å; P388-I415 HydrophobicContact CB-CD1 4.48Å; P388-I415 HydrophobicContact CG-CD1 3.69Å; P388-I415 HydrophobicContact CG-CG1 4.47Å; V405-I415 HydrophobicContact CG1-CD1 4.3Å; V405-I415 HydrophobicContact CG1-CG2 4.47Å; C407-I415 HydrophobicContact CB-CD1 3.91Å; A411-I415 HydrophobicContact CB-CD1 4.02Å; A411-I415 WeakPolarHBondContact O-CG1 3.38Å; A411-I415 PolarHBondContact O-N 3.21Å; I415-Y418 PolarHBondContact O-N 3.41Å; I415-L422 HydrophobicContact CG2-CD1 4.3Å; I415-V424 HydrophobicContact CB-CG1 4.28Å; I415-V424 HydrophobicContact CB-CG2 4.4Å; I415-V424 HydrophobicContact CG2-CG1 4.26Å; I415-V424 HydrophobicContact CG2-CG2 3.7Å
416K95.8Very high95.1Very high102 Ų10254.7 Ų54.744%0.44329%0.294SS..Hα-helixtrans-67.8-29.9175.2-74.9169.6-173.6178.70113.4A412 V414 Y418 V424A412-K416 WeakPolarHBondContact O-CB 3.21Å; A412-K416 WeakPolarHBondContact O-CD 2.84Å; A412-K416 WeakPolarHBondContact O-CG 3.44Å; A412-K416 PolarHBondContact O-N 3.27Å; A412-K416 VanDerWaalsContact O-N 3.1Å; V414-K416 VanDerWaalsContact C-N 3.28Å; V414-K416 PolarHBondContact O-N 3.35Å; K416-Y418 VanDerWaalsContact C-N 3.33Å; K416-V424 HydrophobicContact CD-CB 4.32Å; K416-V424 WeakPolarHBondContact CE-O 3.49Å; K416-V424 HydrophobicContact CG-CB 3.74Å; K416-V424 HydrophobicContact CG-CG1 4.16Å; K416-V424 HydrophobicContact CG-CG2 3.9Å; K416-V424 PolarHBondContact NZ-O 3.35Å
417S96.8Very high95Very high93 Ų9355.8 Ų55.865%0.6530%0.301SS*.Hα-helixtrans-73-26.5178.274.40000112.7T413 V414T413-S417 PolarHBondContact O-N 2.89Å; V414-S417 PolarHBondContact O-N 2.81Å; V414-S417 VanDerWaalsContact O-N 3.11Å; V414-S417 PolarHBondContact O-OG 2.66Å
418Y94.4Very high94.7Very high102 Ų10255.8 Ų55.840%0.430%0.301SS..Hα-helixtrans-73.8-30.1179.5-58.5-39.2000114.7Y389 V414 I415 K416Y389-Y418 HydrophobicContact CD1-CD2 4.04Å; Y389-Y418 HydrophobicContact CD1-CG 4.45Å; Y389-Y418 VanDerWaalsContact CD2-CB 3.49Å; Y389-Y418 AromaticContact CD2-CD2 3.88Å; Y389-Y418 HydrophobicContact CD2-CD2 3.88Å; Y389-Y418 HydrophobicContact CD2-CG 4.15Å; Y389-Y418 HydrophobicContact CE2-CG 4.38Å; Y389-Y418 AromaticContact CG-CD2 3.61Å; Y389-Y418 HydrophobicContact CG-CD2 3.61Å; Y389-Y418 HydrophobicContact CG-CE2 4.43Å; Y389-Y418 HydrophobicContact CG-CG 4.2Å; V414-Y418 HydrophobicContact CG1-CE1 4.24Å; V414-Y418 HydrophobicContact CG1-CE2 3.84Å; V414-Y418 WeakPolarHBondContact CG1-OH 3.13Å; V414-Y418 PolarHBondContact O-N 2.94Å; I415-Y418 PolarHBondContact O-N 3.41Å; K416-Y418 VanDerWaalsContact C-N 3.33Å
419S93.2Very high94.5Very high13 Ų1358.5 Ų58.59%0.09132%0.315CS..  trans-162.3131.7170.6176.70000112.8E421S419-E421 PolarHBondContact O-N 3.03Å; S419-E421 WeakPolarHBondContact OG-CB 3.18Å; S419-E421 PolarHBondContact OG-N 2.72Å; S419-E421 VanDerWaalsContact OG-N 3.13Å
420P93.4Very high94.2Very high132 Ų13253.4 Ų53.486%0.85730%0.297SS*.THydrogen-bonded Turntrans-74.2-4.8173.333.4-36.8000113.7
421E94Very high93.9Very high129 Ų12954.7 Ų54.760%0.60331%0.31SS*.THydrogen-bonded Turntrans-79.7-18.2178.2-57.9-173.4109.900113.3L396 S419L396-E421 HydrophobicContact CD1-CB 3.61Å; S419-E421 PolarHBondContact O-N 3.03Å; S419-E421 WeakPolarHBondContact OG-CB 3.18Å; S419-E421 PolarHBondContact OG-N 2.72Å; S419-E421 VanDerWaalsContact OG-N 3.13Å
422L96.2Very high93.7Very high12 Ų1258.4 Ų58.46%0.06333%0.33CS..SBendtrans-86.2132.2-175.9-61.2-178.7000111.7Y389 A392 L396 I415 V424Y389-L422 HydrophobicContact CD2-CD1 3.55Å; Y389-L422 HydrophobicContact CE2-CD1 4.01Å; A392-L422 HydrophobicContact CB-CD1 4.14Å; A392-L422 HydrophobicContact CB-CD2 3.81Å; L396-L422 HydrophobicContact CD1-CD2 3.74Å; L396-L422 HydrophobicContact CG-CD2 4.34Å; I415-L422 HydrophobicContact CG2-CD1 4.3Å; L422-V424 HydrophobicContact CB-CG2 3.86Å; L422-V424 PolarHBondContact O-N 3.06Å
423I96.6Very high93.3Very high63 Ų6358.3 Ų58.332%0.32333%0.329SS..EExtended strand (participates in β ladder)trans-91.991.8177-49.6-174000108.7L402 S403 H404 V405 H425L402-I423 HydrophobicContact CD2-CD1 3.74Å; S403-I423 PolarHBondContact O-N 3.21Å; H404-I423 CarbonylContact C-O 3.56Å; H404-I423 WeakPolarHBondContact CA-O 3.19Å; V405-I423 PolarHBondContact N-O 3.43Å; I423-H425 WeakPolarHBondContact CG2-NE2 3.36Å; I423-H425 PolarHBondContact O-CD2 3.35Å; I423-H425 PolarHBondContact O-NE2 2.32Å
424V97.1Very high93Very high12 Ų1255 Ų557%0.07331%0.308CS..EExtended strand (participates in β ladder)trans-97.4117.4-170.2-176.50000111.9V405 C407 A412 I415 K416 L422 P426V405-V424 HydrophobicContact CB-CG1 4.47Å; V405-V424 HydrophobicContact CB-CG2 4.27Å; V405-V424 HydrophobicContact CG2-CG2 4.46Å; V405-V424 CarbonylContact O-C 3.59Å; V405-V424 WeakPolarHBondContact O-CA 3.2Å; C407-V424 WeakPolarHBondContact SG-CG1 3.43Å; A412-V424 HydrophobicContact CB-CG1 3.9Å; I415-V424 HydrophobicContact CB-CG1 4.28Å; I415-V424 HydrophobicContact CB-CG2 4.4Å; I415-V424 HydrophobicContact CG2-CG1 4.26Å; I415-V424 HydrophobicContact CG2-CG2 3.7Å; K416-V424 HydrophobicContact CD-CB 4.32Å; K416-V424 WeakPolarHBondContact CE-O 3.49Å; K416-V424 HydrophobicContact CG-CB 3.74Å; K416-V424 HydrophobicContact CG-CG1 4.16Å; K416-V424 HydrophobicContact CG-CG2 3.9Å; K416-V424 PolarHBondContact NZ-O 3.35Å; L422-V424 HydrophobicContact CB-CG2 3.86Å; L422-V424 PolarHBondContact O-N 3.06Å; V424-P426 WeakPolarHBondContact O-CD 3.46Å
425H95.8Very high92.7Very high26 Ų2657.4 Ų57.412%0.1232%0.316CS..EExtended strand (participates in β ladder)trans-104.5108-176.6-54-82.5000110.6H404 V405 F406 C407 I423 V427 W440H404-H425 AromaticContact CG-NE2 3.94Å; H404-H425 AromaticContact ND1-NE2 3.22Å; H404-H425 PolarHBondContact ND1-NE2 3.08Å; V405-H425 PolarHBondContact O-N 2.73Å; F406-H425 HydrophobicContact CD1-CB 3.73Å; F406-H425 AromaticContact CD1-CD2 3.93Å; F406-H425 AromaticContact CD1-CG 3.95Å; F406-H425 HydrophobicContact CE1-CB 4.13Å; F406-H425 AromaticContact CE1-CD2 3.67Å; F406-H425 AromaticContact CE1-CG 3.84Å; C407-H425 PolarHBondContact N-O 3.38Å; C407-H425 VanDerWaalsContact N-O 3.08Å; I423-H425 WeakPolarHBondContact CG2-NE2 3.36Å; I423-H425 PolarHBondContact O-CD2 3.35Å; I423-H425 PolarHBondContact O-NE2 2.32Å; H425-V427 HydrophobicContact CB-CG1 4.37Å; H425-V427 HydrophobicContact CB-CG2 4.19Å; H425-V427 PolarHBondContact O-N 3.17Å; H425-V427 VanDerWaalsContact O-N 3.11Å; H425-W440 AromaticContact CE1-CE2 3.68Å; H425-W440 AromaticContact CE1-CZ2 3.54Å; H425-W440 AromaticContact ND1-NE1 3.99Å
426P95.1Very high92.5Very high59 Ų5960.8 Ų60.838%0.38333%0.332SS..EExtended strand (participates in β ladder)trans-78.585.7173.730.5-31.7000110K409 A412 V424K409-P426 HydrophobicContact CB-CB 4.18Å; K409-P426 HydrophobicContact CG-CB 4.38Å; A412-P426 HydrophobicContact CB-CB 3.68Å; A412-P426 HydrophobicContact CB-CG 4.38Å; V424-P426 WeakPolarHBondContact O-CD 3.46Å
427V93.9Very high92.2Very high25 Ų2555.9 Ų55.915%0.15231%0.311CS..  trans-137.9-19.2-173.4-62.40000115.1F406 C407 H425 D429 S430 A433 E436 I437F406-V427 HydrophobicContact CB-CG2 4.31Å; F406-V427 HydrophobicContact CD1-CG2 3.95Å; C407-V427 PolarHBondContact O-N 3.24Å; H425-V427 HydrophobicContact CB-CG1 4.37Å; H425-V427 HydrophobicContact CB-CG2 4.19Å; H425-V427 PolarHBondContact O-N 3.17Å; H425-V427 VanDerWaalsContact O-N 3.11Å; V427-D429 VanDerWaalsContact C-N 3.26Å; V427-D429 PolarHBondContact O-N 3.24Å; V427-S430 WeakPolarHBondContact O-CB 3.42Å; V427-S430 PolarHBondContact O-N 2.92Å; V427-S430 PolarHBondContact O-OG 2.43Å; V427-A433 WeakPolarHBondContact O-CB 3.18Å; V427-E436 HydrophobicContact CB-CB 4.39Å; V427-E436 HydrophobicContact CG1-CB 4.19Å; V427-I437 HydrophobicContact CG2-CD1 4.23Å; V427-I437 HydrophobicContact CG2-CG1 3.83Å
428L89.8Confident91.9Very high0 Ų056.2 Ų56.20%030%0.302CS..THydrogen-bonded Turntrans-65.3-27.1-171.8-93.8-177.2000114.4I378 F406 C407 T408 I437 L453 F458 L459 T462I378-L428 HydrophobicContact CG2-CD1 3.94Å; I378-L428 HydrophobicContact CG2-CD2 3.89Å; I378-L428 HydrophobicContact CG2-CG 4.33Å; F406-L428 VanDerWaalsContact O-CD1 3.29Å; F406-L428 WeakPolarHBondContact O-CD1 3.47Å; C407-L428 PolarHBondContact O-N 3.33Å; T408-L428 HydrophobicContact CG2-CB 4.22Å; L428-I437 HydrophobicContact CD2-CD1 3.87Å; L428-I437 HydrophobicContact CG-CD1 4.49Å; L428-L453 HydrophobicContact CD1-CD1 3.85Å; L428-F458 WeakPolarHBondContact O-CE1 3.12Å; L428-L459 HydrophobicContact CB-CD2 4.07Å; L428-T462 HydrophobicContact CD2-CG2 3.57Å
429D89.4Confident91.7Very high67 Ų6757.1 Ų57.136%0.35831%0.308SS..THydrogen-bonded Turntrans-84.8-7.3177.356.3-58000113.6T408 K409 V427T408-D429 VanDerWaalsContact CA-OD1 3.26Å; T408-D429 WeakPolarHBondContact CA-OD1 3.32Å; T408-D429 HydrophobicContact CG2-CB 4.1Å; K409-D429 WeakPolarHBondContact CB-OD2 3.43Å; K409-D429 PolarHBondContact N-OD1 3.17Å; V427-D429 VanDerWaalsContact C-N 3.26Å; V427-D429 PolarHBondContact O-N 3.24Å
430S89.4Confident91.6Very high32 Ų3259.3 Ų59.322%0.22432%0.315CS..SBendtrans-80.5148.6-179.373.40000112.5V427 N432 A433V427-S430 WeakPolarHBondContact O-CB 3.42Å; V427-S430 PolarHBondContact O-N 2.92Å; V427-S430 PolarHBondContact O-OG 2.43Å; S430-N432 PolarHBondContact O-N 3.15Å; S430-A433 VanDerWaalsContact O-CB 3.23Å; S430-A433 WeakPolarHBondContact O-CB 3.48Å; S430-A433 PolarHBondContact O-N 3.05Å; S430-A433 VanDerWaalsContact O-N 3.13Å; S430-A433 WeakPolarHBondContact OG-CA 3.41Å; S430-A433 PolarHBondContact OG-N 3.42Å
431P85.8Confident91.4Very high119 Ų11954.4 Ų54.477%0.77328%0.281SS*.THydrogen-bonded Turntrans-63.7-26.717825.4-34.2000113.1
432N89.1Confident91.3Very high78 Ų7853.6 Ų53.642%0.41729%0.287SS..THydrogen-bonded Turntrans-10020.7178.3-65.357.2000112.2S430 V434 E435 E436S430-N432 PolarHBondContact O-N 3.15Å; N432-V434 PolarHBondContact O-N 3.31Å; N432-V434 VanDerWaalsContact O-N 3.12Å; N432-E435 PolarHBondContact ND2-OE2 3.45Å; N432-E435 PolarHBondContact O-N 2.83Å; N432-E436 PolarHBondContact O-N 2.83Å; N432-E436 VanDerWaalsContact O-N 3.13Å
433A87.9Confident91Very high1 Ų159.5 Ų59.51%0.00831%0.308CS..Hα-helixtrans-51.4-39.5-174.800000113.8V427 S430 E436 I437 T462V427-A433 WeakPolarHBondContact O-CB 3.18Å; S430-A433 VanDerWaalsContact O-CB 3.23Å; S430-A433 WeakPolarHBondContact O-CB 3.48Å; S430-A433 PolarHBondContact O-N 3.05Å; S430-A433 VanDerWaalsContact O-N 3.13Å; S430-A433 WeakPolarHBondContact OG-CA 3.41Å; S430-A433 PolarHBondContact OG-N 3.42Å; A433-E436 PolarHBondContact O-N 2.92Å; A433-I437 WeakPolarHBondContact O-CB 3.38Å; A433-I437 WeakPolarHBondContact O-CD1 3.43Å; A433-I437 WeakPolarHBondContact O-CG1 3.24Å; A433-I437 PolarHBondContact O-N 2.65Å; A433-T462 HydrophobicContact CB-CG2 3.49Å; A433-T462 VanDerWaalsContact CB-CG2 3.49Å
434V88.9Confident90.9Very high37 Ų3757.6 Ų57.622%0.22430%0.298CS..Hα-helixtrans-63.4-48.5179.9-175.40000110.7N432 E436 I437 E438 T462 A465 Y469N432-V434 PolarHBondContact O-N 3.31Å; N432-V434 VanDerWaalsContact O-N 3.12Å; V434-E436 PolarHBondContact O-N 2.7Å; V434-I437 PolarHBondContact O-N 3.04Å; V434-E438 VanDerWaalsContact O-CB 3.27Å; V434-E438 WeakPolarHBondContact O-CB 3.44Å; V434-E438 PolarHBondContact O-N 3.06Å; V434-T462 HydrophobicContact CG2-CG2 4.24Å; V434-A465 HydrophobicContact CG1-CB 4.17Å; V434-A465 HydrophobicContact CG2-CB 3.79Å; V434-Y469 HydrophobicContact CG1-CD2 4.17Å; V434-Y469 HydrophobicContact CG1-CE2 4.14Å
435E89.6Confident90.7Very high103 Ų10361.9 Ų61.948%0.48132%0.318SS..Hα-helixtrans-62.4-39.9179.2-57.5178.2165.100111.9N432 K439N432-E435 PolarHBondContact ND2-OE2 3.45Å; N432-E435 PolarHBondContact O-N 2.83Å; E435-K439 VanDerWaalsContact O-CE 3.28Å; E435-K439 WeakPolarHBondContact O-CE 3.35Å; E435-K439 WeakPolarHBondContact O-CG 3.15Å; E435-K439 PolarHBondContact O-N 3.18Å
436E90Very high90.5Very high71 Ų7162.1 Ų62.133%0.33233%0.327SS..Hα-helixtrans-70.1-37.5177.8-67.8-56.5155.800112.6V427 N432 A433 V434 K439V427-E436 HydrophobicContact CB-CB 4.39Å; V427-E436 HydrophobicContact CG1-CB 4.19Å; N432-E436 PolarHBondContact O-N 2.83Å; N432-E436 VanDerWaalsContact O-N 3.13Å; A433-E436 PolarHBondContact O-N 2.92Å; V434-E436 PolarHBondContact O-N 2.7Å; E436-K439 IonicContact OE1-NZ 2.9Å; E436-K439 PolarHBondContact OE1-NZ 3.28Å; E436-K439 WeakPolarHBondContact OE2-CD 3.32Å; E436-K439 IonicContact OE2-NZ 2.71Å; E436-K439 PolarHBondContact OE2-NZ 3.46Å
437I91Very high90.4Very high0 Ų061.4 Ų61.40%032%0.32CS..Hα-helixtrans-70.2-40.7175.5-68.2166.8000110.5I378 F406 V427 L428 A433 V434 K439 W440 L441 C466I378-I437 HydrophobicContact CD1-CG2 4.09Å; F406-I437 HydrophobicContact CB-CD1 4.23Å; F406-I437 HydrophobicContact CB-CG1 4.28Å; F406-I437 HydrophobicContact CD1-CG1 3.79Å; F406-I437 HydrophobicContact CE1-CG1 4.4Å; F406-I437 HydrophobicContact CG-CG1 4.09Å; V427-I437 HydrophobicContact CG2-CD1 4.23Å; V427-I437 HydrophobicContact CG2-CG1 3.83Å; L428-I437 HydrophobicContact CD2-CD1 3.87Å; L428-I437 HydrophobicContact CG-CD1 4.49Å; A433-I437 WeakPolarHBondContact O-CB 3.38Å; A433-I437 WeakPolarHBondContact O-CD1 3.43Å; A433-I437 WeakPolarHBondContact O-CG1 3.24Å; A433-I437 PolarHBondContact O-N 2.65Å; V434-I437 PolarHBondContact O-N 3.04Å; I437-K439 VanDerWaalsContact C-N 3.3Å; I437-K439 PolarHBondContact O-N 3.12Å; I437-W440 WeakPolarHBondContact O-CA 3.45Å; I437-W440 WeakPolarHBondContact O-CB 3.43Å; I437-W440 PolarHBondContact O-N 3.26Å; I437-L441 HydrophobicContact CG2-CD2 4.03Å; I437-L441 HydrophobicContact CG2-CG 4.2Å; I437-L441 PolarHBondContact O-N 3.45Å; I437-L441 VanDerWaalsContact O-N 3.14Å; I437-C466 HydrophobicContact CG2-CB 4.26Å
438E89.8Confident90.4Very high100 Ų10063.4 Ų63.447%0.46733%0.332SS..Hα-helixtrans-57-39.7-180-172.2179.717700112.4V434 W440 L441 P442V434-E438 VanDerWaalsContact O-CB 3.27Å; V434-E438 WeakPolarHBondContact O-CB 3.44Å; V434-E438 PolarHBondContact O-N 3.06Å; E438-W440 PolarHBondContact O-N 2.99Å; E438-L441 PolarHBondContact O-N 3.39Å; E438-L441 VanDerWaalsContact O-N 3.09Å; E438-P442 WeakPolarHBondContact O-CD 3.49Å
439K90.7Very high90.6Very high120 Ų12066.6 Ų66.652%0.52235%0.351SS..THydrogen-bonded Turntrans-56.8-21.5173.4-65.5164-155.5177.40113.8E435 E436 I437E435-K439 VanDerWaalsContact O-CE 3.28Å; E435-K439 WeakPolarHBondContact O-CE 3.35Å; E435-K439 WeakPolarHBondContact O-CG 3.15Å; E435-K439 PolarHBondContact O-N 3.18Å; E436-K439 IonicContact OE1-NZ 2.9Å; E436-K439 PolarHBondContact OE1-NZ 3.28Å; E436-K439 WeakPolarHBondContact OE2-CD 3.32Å; E436-K439 IonicContact OE2-NZ 2.71Å; E436-K439 PolarHBondContact OE2-NZ 3.46Å; I437-K439 VanDerWaalsContact C-N 3.3Å; I437-K439 PolarHBondContact O-N 3.12Å
440W90.7Very high90.8Very high60 Ų6065.1 Ų65.123%0.22735%0.352CS..THydrogen-bonded Turntrans-100.6-23.7176.2-67.896.1000114H404 F406 H425 I437 E438 R443 L444H404-W440 AromaticContact CE1-CE3 3.63Å; H404-W440 AromaticContact CE1-CZ3 3.4Å; H404-W440 VanDerWaalsContact CE1-CZ3 3.4Å; H404-W440 WeakPolarHBondContact CE1-CZ3 3.47Å; H404-W440 AromaticContact ND1-CE3 3.74Å; H404-W440 AromaticContact ND1-CZ3 3.87Å; F406-W440 HydrophobicContact CE1-CB 4.05Å; F406-W440 AromaticContact CE1-CD1 3.83Å; F406-W440 AromaticContact CE1-CG 3.99Å; F406-W440 HydrophobicContact CE1-CG 3.99Å; F406-W440 HydrophobicContact CZ-CB 3.67Å; F406-W440 AromaticContact CZ-CG 3.99Å; F406-W440 HydrophobicContact CZ-CG 3.99Å; H425-W440 AromaticContact CE1-CE2 3.68Å; H425-W440 AromaticContact CE1-CZ2 3.54Å; H425-W440 AromaticContact ND1-NE1 3.99Å; I437-W440 WeakPolarHBondContact O-CA 3.45Å; I437-W440 WeakPolarHBondContact O-CB 3.43Å; I437-W440 PolarHBondContact O-N 3.26Å; E438-W440 PolarHBondContact O-N 2.99Å; W440-R443 CarbonylContact O-C 3.57Å; W440-R443 WeakPolarHBondContact O-CA 3.07Å; W440-R443 VanDerWaalsContact O-CB 3.27Å; W440-R443 WeakPolarHBondContact O-CB 3.43Å; W440-R443 PolarHBondContact O-N 3.2Å; W440-L444 PolarHBondContact O-N 3.16Å
441L89.6Confident91Very high28 Ų2865 Ų6515%0.14735%0.35CS..G310 helixtrans-55.3-47.2-175.8-65.7-179.2000113.5I437 E438 R443 L444 L447I437-L441 HydrophobicContact CG2-CD2 4.03Å; I437-L441 HydrophobicContact CG2-CG 4.2Å; I437-L441 PolarHBondContact O-N 3.45Å; I437-L441 VanDerWaalsContact O-N 3.14Å; E438-L441 PolarHBondContact O-N 3.39Å; E438-L441 VanDerWaalsContact O-N 3.09Å; L441-R443 PolarHBondContact O-N 2.92Å; L441-L444 HydrophobicContact CD2-CD1 4.33Å; L441-L444 PolarHBondContact O-N 2.74Å; L441-L447 HydrophobicContact CD2-CD1 4.01Å; L441-L447 HydrophobicContact CD2-CD2 3.88Å
442P90.4Very high91.3Very high112 Ų11260 Ų6073%0.72732%0.32SS*.G310 helixtrans-62.6-12.2175-2334.2000114.6E438E438-P442 WeakPolarHBondContact O-CD 3.49Å
443R91.3Very high91.3Very high137 Ų13756.8 Ų56.852%0.51730%0.303SS..G310 helixtrans-98.22.3179-52.7176.763.7-175.8-0.4112.1R374 W440 L441R374-R443 PolarHBondContact NE-O 2.92Å; R374-R443 PolarHBondContact NH2-O 3.33Å; W440-R443 CarbonylContact O-C 3.57Å; W440-R443 WeakPolarHBondContact O-CA 3.07Å; W440-R443 VanDerWaalsContact O-CB 3.27Å; W440-R443 WeakPolarHBondContact O-CB 3.43Å; W440-R443 PolarHBondContact O-N 3.2Å; L441-R443 PolarHBondContact O-N 2.92Å
444L92.9Very high91.4Very high22 Ų2258 Ų5812%0.11532%0.315CS..  trans-106.3155.8178.5-61.6171.3000111.2R374 H404 F406 W440 L441 L447R374-L444 HydrophobicContact CB-CD2 4.48Å; R374-L444 CarbonylContact O-C 3.55Å; R374-L444 WeakPolarHBondContact O-CA 3.4Å; H404-L444 HydrophobicContact CB-CD2 4.33Å; F406-L444 HydrophobicContact CE2-CD1 4.05Å; F406-L444 HydrophobicContact CZ-CD1 4.4Å; W440-L444 PolarHBondContact O-N 3.16Å; L441-L444 HydrophobicContact CD2-CD1 4.33Å; L441-L444 PolarHBondContact O-N 2.74Å; L444-L447 HydrophobicContact CD1-CD1 3.94Å
445H93.3Very high91.4Very high103 Ų10367.4 Ų67.448%0.47735%0.347SS..SBendtrans-101.4-17.8172.7-67.6169000112.2Q371 R374Q371-H445 PolarHBondContact O-CE1 3.32Å; R374-H445 PolarHBondContact NH1-CE1 3Å; R374-H445 VanDerWaalsContact NH1-CE1 3.33Å; R374-H445 PolarHBondContact NH1-NE2 3.02Å; R374-H445 PolarHBondContact NH2-CD2 2.82Å; R374-H445 PolarHBondContact NH2-NE2 3.18Å; R374-H445 VanDerWaalsContact NH2-NE2 3.11Å; R374-H445 PolarHBondContact O-N 3.04Å
446G92.1Very high91.3Very high30 Ų3067 Ų6731%0.30935%0.345SS..EExtended strand (participates in β ladder)trans-166.2152.417900000110.8G376G376-G446 PolarHBondContact N-O 3.23Å
447L93.8Very high91.2Very high45 Ų4569.1 Ų69.124%0.23636%0.358CS..EExtended strand (participates in β ladder)trans-130.9128.4-174.5-166.271.3000109.7G376 I378 L441 L444 V449G376-L447 CarbonylContact O-C 3.59Å; G376-L447 WeakPolarHBondContact O-CA 3.35Å; I378-L447 HydrophobicContact CD1-CD1 3.99Å; I378-L447 HydrophobicContact CD1-CD2 3.91Å; I378-L447 HydrophobicContact CD1-CG 4.22Å; I378-L447 HydrophobicContact CG1-CD1 3.97Å; I378-L447 HydrophobicContact CG1-CG 4.41Å; L441-L447 HydrophobicContact CD2-CD1 4.01Å; L441-L447 HydrophobicContact CD2-CD2 3.88Å; L444-L447 HydrophobicContact CD1-CD1 3.94Å; L447-V449 HydrophobicContact CD2-CG2 3.98Å; L447-V449 HydrophobicContact CG-CG2 4.03Å
448V94.2Very high91Very high66 Ų6673.7 Ų73.740%0.438%0.379SS..EExtended strand (participates in β ladder)trans-112.5114.9177.3-176.40000108.1I375 G376 I377 I378 P451I375-V448 HydrophobicContact CG2-CG2 4.3Å; G376-V448 PolarHBondContact O-N 3.37Å; I377-V448 CarbonylContact C-O 3.48Å; I377-V448 WeakPolarHBondContact CA-O 3.34Å; I377-V448 HydrophobicContact CG1-CB 4.43Å; I378-V448 PolarHBondContact N-O 3.07Å; V448-P451 HydrophobicContact CG1-CG 3.88Å
449V93.6Very high90.9Very high68 Ų6869 Ų6941%0.41236%0.357SS..EExtended strand (participates in β ladder)trans-111.7132.5-175.3-174.30000110.1I378 L447 A463I378-V449 HydrophobicContact CB-CG1 4.3Å; I378-V449 HydrophobicContact CB-CG2 4.27Å; I378-V449 HydrophobicContact CD1-CG2 4.28Å; I378-V449 HydrophobicContact CG1-CG2 4.48Å; I378-V449 HydrophobicContact CG2-CG1 4.44Å; L447-V449 HydrophobicContact CD2-CG2 3.98Å; L447-V449 HydrophobicContact CG-CG2 4.03Å; V449-A463 HydrophobicContact CG1-CB 3.96Å
450G91.9Very high90.8Very high36 Ų3665.8 Ų65.837%0.37135%0.345SS..  trans117.9-26.3174.700000118.5I378 G452 L453I378-G450 PolarHBondContact O-N 3.04Å; G450-G452 PolarHBondContact O-N 3.37Å; G450-L453 WeakPolarHBondContact O-CB 3.18Å; G450-L453 PolarHBondContact O-N 3.32Å
451P93.7Very high90.6Very high29 Ų2969.2 Ų69.219%0.18836%0.361CS..THydrogen-bonded Turntrans-55.6106.4-177.5-30.237.1000113.5I377 G379 G380 P388 A391 V448 L453I377-P451 HydrophobicContact CG2-CB 4.38Å; I377-P451 HydrophobicContact CG2-CG 4.21Å; G379-P451 CarbonylContact C-O 3.54Å; G379-P451 VanDerWaalsContact CA-O 3.24Å; G379-P451 WeakPolarHBondContact CA-O 3.47Å; G380-P451 PolarHBondContact N-O 3.29Å; G380-P451 VanDerWaalsContact N-O 3.11Å; P388-P451 HydrophobicContact CB-CB 4.49Å; P388-P451 WeakPolarHBondContact CD-O 3.49Å; A391-P451 HydrophobicContact CB-CB 4.17Å; A391-P451 HydrophobicContact CB-CG 4.01Å; V448-P451 HydrophobicContact CG1-CG 3.88Å; P451-L453 PolarHBondContact O-N 3.3Å
452G92.5Very high90.5Very high14 Ų1468.4 Ų68.414%0.14436%0.358CS..THydrogen-bonded Turntrans64.722.3-177.100000114.8G380 C381 G450 G454G380-G452 CarbonylContact C-O 3.41Å; G380-G452 WeakPolarHBondContact CA-O 3.3Å; G380-G452 PolarHBondContact N-O 3.36Å; C381-G452 PolarHBondContact N-O 3.05Å; G450-G452 PolarHBondContact O-N 3.37Å; G452-G454 PolarHBondContact O-N 3.35Å
453L90.3Very high90.3Very high11 Ų1163.4 Ų63.46%0.05833%0.326CS..  trans-67-16.5-179.6-173.865.4000113.4L428 G450 P451 L459 L460 A463L428-L453 HydrophobicContact CD1-CD1 3.85Å; G450-L453 WeakPolarHBondContact O-CB 3.18Å; G450-L453 PolarHBondContact O-N 3.32Å; P451-L453 PolarHBondContact O-N 3.3Å; L453-L459 HydrophobicContact CD1-CB 4.07Å; L453-L460 HydrophobicContact CD2-CD2 4.03Å; L453-A463 HydrophobicContact CD1-CB 4.29Å; L453-A463 HydrophobicContact CD2-CB 3.53Å
454G88.9Confident90Very high26 Ų2663.6 Ų63.627%0.26833%0.33SS..  trans77-156.9-177.600000113G452G452-G454 PolarHBondContact O-N 3.35Å
455R88.8Confident89.5Confident234 Ų23463.9 Ų63.988%0.88334%0.336SS*.SBendtrans-127.414.6177.2-65.4-171.4179.8-1691.3113.4D457R455-D457 PolarHBondContact O-N 3.41Å
456E87.4Confident88.7Confident96 Ų9659 Ų5945%0.44931%0.313SS..  trans-69.1126.4179.8-64.8179.417800110.9F458 L459 L460E456-F458 PolarHBondContact O-N 2.93Å; E456-F458 VanDerWaalsContact O-N 3.11Å; E456-L459 HydrophobicContact CB-CB 4.38Å; E456-L459 HydrophobicContact CB-CD1 4.23Å; E456-L459 HydrophobicContact CB-CG 4.16Å; E456-L459 PolarHBondContact O-N 3.11Å; E456-L459 VanDerWaalsContact OE2-CD1 3.23Å; E456-L459 WeakPolarHBondContact OE2-CD1 3.4Å; E456-L459 WeakPolarHBondContact OE2-CG 3.32Å; E456-L460 WeakPolarHBondContact O-CB 3.47Å; E456-L460 WeakPolarHBondContact O-CG 3.47Å; E456-L460 PolarHBondContact O-N 3.05Å
457D87.9Confident87.4Confident114 Ų11458.7 Ų58.761%0.6131%0.31SS*.Hα-helixtrans-56.5-30.9-178.7-89.1-45.4000113.5R455 K461R455-D457 PolarHBondContact O-N 3.41Å; D457-K461 WeakPolarHBondContact O-CB 3.31Å; D457-K461 WeakPolarHBondContact O-CD 3.24Å; D457-K461 WeakPolarHBondContact O-CG 3.45Å; D457-K461 PolarHBondContact O-N 3.41Å
458F87.1Confident85.6Confident97 Ų9762 Ų6243%0.42533%0.327SS..Hα-helixtrans-66.4-56.9176.7-176.4-98.3000111.2L428 E456 L460 K461 T462L428-F458 WeakPolarHBondContact O-CE1 3.12Å; E456-F458 PolarHBondContact O-N 2.93Å; E456-F458 VanDerWaalsContact O-N 3.11Å; F458-L460 VanDerWaalsContact C-N 3.28Å; F458-L460 PolarHBondContact O-N 3.49Å; F458-K461 PolarHBondContact O-N 3.28Å; F458-K461 VanDerWaalsContact O-N 3.07Å; F458-T462 PolarHBondContact O-N 2.87Å; F458-T462 PolarHBondContact O-OG1 3.33Å
459L87.3Confident83.6Confident1 Ų165.2 Ų65.21%0.00533%0.333CS..Hα-helixtrans-60.1-38.1178.5-58.3-179000111.9C381 T408 L428 L453 E456 T462 A463C381-L459 HydrophobicContact CB-CD1 3.5Å; T408-L459 HydrophobicContact CG2-CD1 3.96Å; T408-L459 HydrophobicContact CG2-CD2 3.67Å; T408-L459 HydrophobicContact CG2-CG 4.49Å; L428-L459 HydrophobicContact CB-CD2 4.07Å; L453-L459 HydrophobicContact CD1-CB 4.07Å; E456-L459 HydrophobicContact CB-CB 4.38Å; E456-L459 HydrophobicContact CB-CD1 4.23Å; E456-L459 HydrophobicContact CB-CG 4.16Å; E456-L459 PolarHBondContact O-N 3.11Å; E456-L459 VanDerWaalsContact OE2-CD1 3.23Å; E456-L459 WeakPolarHBondContact OE2-CD1 3.4Å; E456-L459 WeakPolarHBondContact OE2-CG 3.32Å; L459-T462 PolarHBondContact O-N 3.14Å; L459-A463 VanDerWaalsContact O-CB 3.28Å; L459-A463 WeakPolarHBondContact O-CB 3.36Å; L459-A463 PolarHBondContact O-N 3.06Å
460L88.3Confident81.4Confident52 Ų5264.8 Ų64.827%0.27233%0.333SS..Hα-helixtrans-67.2-34.8175.6-69.1176.7000112.9L453 E456 F458 K464L453-L460 HydrophobicContact CD2-CD2 4.03Å; E456-L460 WeakPolarHBondContact O-CB 3.47Å; E456-L460 WeakPolarHBondContact O-CG 3.47Å; E456-L460 PolarHBondContact O-N 3.05Å; F458-L460 VanDerWaalsContact C-N 3.28Å; F458-L460 PolarHBondContact O-N 3.49Å; L460-K464 WeakPolarHBondContact O-CB 3.46Å; L460-K464 WeakPolarHBondContact O-CD 3.45Å; L460-K464 WeakPolarHBondContact O-CG 3.28Å; L460-K464 PolarHBondContact O-N 3.22Å; L460-K464 VanDerWaalsContact O-N 3.08Å
461K88.3Confident78.8Confident132 Ų13270.5 Ų70.557%0.57435%0.354SS*.Hα-helixtrans-69.2-47173.7-75.3161.6-167.7166.90111.1D457 F458 A463 K464 A465D457-K461 WeakPolarHBondContact O-CB 3.31Å; D457-K461 WeakPolarHBondContact O-CD 3.24Å; D457-K461 WeakPolarHBondContact O-CG 3.45Å; D457-K461 PolarHBondContact O-N 3.41Å; F458-K461 PolarHBondContact O-N 3.28Å; F458-K461 VanDerWaalsContact O-N 3.07Å; K461-A463 PolarHBondContact O-N 2.98Å; K461-K464 PolarHBondContact O-N 2.83Å; K461-A465 PolarHBondContact O-N 3.37Å
462T86.8Confident75.9Confident11 Ų1176.9 Ų76.97%0.06739%0.393CS..Hα-helixtrans-57.3-50.1175.9-60.20000111.5L428 A433 V434 F458 L459 K464 A465 C466L428-T462 HydrophobicContact CD2-CG2 3.57Å; A433-T462 HydrophobicContact CB-CG2 3.49Å; A433-T462 VanDerWaalsContact CB-CG2 3.49Å; V434-T462 HydrophobicContact CG2-CG2 4.24Å; F458-T462 PolarHBondContact O-N 2.87Å; F458-T462 PolarHBondContact O-OG1 3.33Å; L459-T462 PolarHBondContact O-N 3.14Å; T462-K464 PolarHBondContact O-N 3.35Å; T462-A465 PolarHBondContact O-N 3.01Å; T462-C466 PolarHBondContact O-N 3.16Å; T462-C466 PolarHBondContact O-SG 3.24Å; T462-C466 VanDerWaalsContact O-SG 3.37Å
463A85.9Confident75.1Confident7 Ų780.1 Ų80.16%0.05841%0.405CS..Hα-helixtrans-64.7-36.1179.100000113.2I378 V449 L453 L459 K461 G467I378-A463 HydrophobicContact CG2-CB 4.31Å; V449-A463 HydrophobicContact CG1-CB 3.96Å; L453-A463 HydrophobicContact CD1-CB 4.29Å; L453-A463 HydrophobicContact CD2-CB 3.53Å; L459-A463 VanDerWaalsContact O-CB 3.28Å; L459-A463 WeakPolarHBondContact O-CB 3.36Å; L459-A463 PolarHBondContact O-N 3.06Å; K461-A463 PolarHBondContact O-N 2.98Å; A463-G467 PolarHBondContact O-N 2.9Å
464K85.6Confident74.3Confident141 Ų14183.7 Ų83.761%0.61342%0.424SS*.Hα-helixtrans-63.8-43.3173-79169.4-177176.10111.9L460 K461 T462 G467 I468L460-K464 WeakPolarHBondContact O-CB 3.46Å; L460-K464 WeakPolarHBondContact O-CD 3.45Å; L460-K464 WeakPolarHBondContact O-CG 3.28Å; L460-K464 PolarHBondContact O-N 3.22Å; L460-K464 VanDerWaalsContact O-N 3.08Å; K461-K464 PolarHBondContact O-N 2.83Å; T462-K464 PolarHBondContact O-N 3.35Å; K464-G467 PolarHBondContact O-N 3.46Å; K464-I468 WeakPolarHBondContact O-CD1 3.47Å; K464-I468 VanDerWaalsContact O-CG1 3.28Å; K464-I468 WeakPolarHBondContact O-CG1 3.43Å; K464-I468 PolarHBondContact O-N 3.32Å
465A82.3Confident73.5Confident28 Ų2886.9 Ų86.923%0.23143%0.432CS..Hα-helixtrans-59.5-54.9175.800000110.9V434 K461 T462 G467 I468 Y469V434-A465 HydrophobicContact CG1-CB 4.17Å; V434-A465 HydrophobicContact CG2-CB 3.79Å; K461-A465 PolarHBondContact O-N 3.37Å; T462-A465 PolarHBondContact O-N 3.01Å; A465-G467 VanDerWaalsContact C-N 3.26Å; A465-G467 PolarHBondContact O-N 3.47Å; A465-I468 PolarHBondContact O-N 3.31Å; A465-I468 VanDerWaalsContact O-N 3.14Å; A465-Y469 HydrophobicContact CB-CE2 4.46Å; A465-Y469 WeakPolarHBondContact O-CD2 3.13Å; A465-Y469 PolarHBondContact O-N 3.3Å; A465-Y469 VanDerWaalsContact O-N 3.11Å
466C75.6Confident72.6Confident1 Ų178.2 Ų78.21%0.00741%0.406CS..Hα-helixtrans-58.9-34.5178.3-60.90000113.3I378 I437 T462 S470I378-C466 HydrophobicContact CD1-CB 3.84Å; I437-C466 HydrophobicContact CG2-CB 4.26Å; T462-C466 PolarHBondContact O-N 3.16Å; T462-C466 PolarHBondContact O-SG 3.24Å; T462-C466 VanDerWaalsContact O-SG 3.37Å; C466-S470 PolarHBondContact O-N 2.96Å
467G66.1Low71.6Confident24 Ų2477.1 Ų77.125%0.24740%0.403CS..Hα-helixtrans-69.5-37176.400000113.8A463 K464 A465A463-G467 PolarHBondContact O-N 2.9Å; K464-G467 PolarHBondContact O-N 3.46Å; A465-G467 VanDerWaalsContact C-N 3.26Å; A465-G467 PolarHBondContact O-N 3.47Å
468I56.2Low70.5Confident113 Ų11374.7 Ų74.758%0.57939%0.389SS*.Hα-helixtrans-70.7-46.4178-69.2164.1000110.7K464 A465 S470 L471K464-I468 WeakPolarHBondContact O-CD1 3.47Å; K464-I468 VanDerWaalsContact O-CG1 3.28Å; K464-I468 WeakPolarHBondContact O-CG1 3.43Å; K464-I468 PolarHBondContact O-N 3.32Å; A465-I468 PolarHBondContact O-N 3.31Å; A465-I468 VanDerWaalsContact O-N 3.14Å; I468-S470 PolarHBondContact O-N 3.19Å; I468-S470 VanDerWaalsContact O-N 3.11Å; I468-L471 PolarHBondContact O-N 3.45Å
469Y50.6Low69.4Low135 Ų13573.1 Ų73.153%0.52939%0.387SS..THydrogen-bonded Turntrans-65-12.3177.8-71.2-64.3000114.3V434 A465V434-Y469 HydrophobicContact CG1-CD2 4.17Å; V434-Y469 HydrophobicContact CG1-CE2 4.14Å; A465-Y469 HydrophobicContact CB-CE2 4.46Å; A465-Y469 WeakPolarHBondContact O-CD2 3.13Å; A465-Y469 PolarHBondContact O-N 3.3Å; A465-Y469 VanDerWaalsContact O-N 3.11Å
470S47.3Very low68Low58 Ų5878.6 Ų78.641%0.40642%0.416SS..THydrogen-bonded Turntrans-89.41.4176.9-169.70000114C466 I468C466-S470 PolarHBondContact O-N 2.96Å; I468-S470 PolarHBondContact O-N 3.19Å; I468-S470 VanDerWaalsContact O-N 3.11Å
471L38.1Very low66.3Low156 Ų15680.8 Ų80.882%0.81743%0.428SS*.  trans-1258.1-176-67.9174000113.9I468I468-L471 PolarHBondContact O-N 3.45Å
472T32.8Very low64.3Low164 Ų16476.2 Ų76.2100%1.00642%0.415SS*.  trans-122.60-179.856.60000111.4

Retrieved 472 of 472 residues in 64.2 ms (Link to these results)

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