A0A077ZHE6_TRITR Loading...

BRCT and PTCB-BRCT domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZHE6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 924 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
1M61.7Low62.7Low86 Ų8661.3 Ų61.342%0.42433%0.325SS..  0140.10-87.1-81.6-85.800107.7L33 R36 L37 I40 F86 V90M1-L33 HydrophobicContact CE-CD2 4.22Å; M1-L33 HydrophobicContact CG-CD2 4.29Å; M1-R36 HydrophobicContact CE-CB 3.71Å; M1-L37 HydrophobicContact CE-CD2 3.57Å; M1-L37 HydrophobicContact CE-CG 3.69Å; M1-L37 HydrophobicContact SD-CD2 3.82Å; M1-I40 HydrophobicContact CE-CD1 4.38Å; M1-I40 HydrophobicContact SD-CD1 4.3Å; M1-F86 HydrophobicContact CG-CD2 4.1Å; M1-F86 HydrophobicContact CG-CE2 3.95Å; M1-F86 HydrophobicContact SD-CD2 3.97Å; M1-F86 HydrophobicContact SD-CE2 4.37Å; M1-V90 HydrophobicContact SD-CG2 3.58Å; M1-V90 VanDerWaalsContact SD-CG2 3.58Å
2P62.7Low62.2Low4 Ų464.2 Ų64.23%0.02635%0.354CS..  trans-63.9150.1174.4-14.929.2000110.9E6 L7 M10 V90P2-E6 WeakPolarHBondContact CA-OE2 3.41Å; P2-E6 HydrophobicContact CB-CB 3.85Å; P2-E6 WeakPolarHBondContact CB-OE2 3.24Å; P2-L7 HydrophobicContact CB-CD2 3.78Å; P2-L7 HydrophobicContact CB-CG 4.03Å; P2-L7 HydrophobicContact CG-CD2 3.81Å; P2-M10 HydrophobicContact CB-SD 4.13Å; P2-M10 HydrophobicContact CG-SD 4.06Å; P2-V90 HydrophobicContact CG-CG1 4.37Å
3S61.2Low61.6Low40 Ų4067.4 Ų67.428%0.2838%0.377SS..  trans-66163.6173.176.50000111.4S5 E6 L7S3-S5 PolarHBondContact O-N 3.13Å; S3-E6 PolarHBondContact N-OE2 3.22Å; S3-E6 PolarHBondContact O-N 3.24Å; S3-E6 WeakPolarHBondContact OG-CB 3.47Å; S3-E6 VanDerWaalsContact OG-CD 3.25Å; S3-E6 VanDerWaalsContact OG-CG 3.26Å; S3-E6 WeakPolarHBondContact OG-CG 3.49Å; S3-E6 PolarHBondContact OG-N 3.33Å; S3-E6 PolarHBondContact OG-OE1 3.19Å; S3-L7 WeakPolarHBondContact O-CG 3.48Å; S3-L7 PolarHBondContact O-N 3.17Å
4S61.6Low61.3Low57 Ų5765.9 Ų65.940%0.39937%0.367SS..THydrogen-bonded Turntrans-62.2-25.5177.6-560000112.6R36S4-R36 PolarHBondContact OG-NE 3.33Å; S4-R36 VanDerWaalsContact OG-NE 3.1Å
5S62.9Low60.7Low80 Ų8064.6 Ų64.656%0.55938%0.375SS*.THydrogen-bonded Turntrans-79-45.3174-49.30000111.7S3 L7 Y8 E9S3-S5 PolarHBondContact O-N 3.13Å; S5-L7 VanDerWaalsContact C-N 3.31Å; S5-L7 PolarHBondContact O-N 3.15Å; S5-Y8 WeakPolarHBondContact O-CA 3.29Å; S5-Y8 VanDerWaalsContact O-CB 3.23Å; S5-Y8 WeakPolarHBondContact O-CB 3.46Å; S5-Y8 PolarHBondContact O-N 3.18Å; S5-E9 PolarHBondContact O-N 3.43Å
6E66.3Low60.6Low93 Ų9361.1 Ų61.144%0.43536%0.355SS..Hα-helixtrans-60-40.2175-73.7156.4-144.500111.5P2 S3 Y8 E9 M10P2-E6 WeakPolarHBondContact CA-OE2 3.41Å; P2-E6 HydrophobicContact CB-CB 3.85Å; P2-E6 WeakPolarHBondContact CB-OE2 3.24Å; S3-E6 PolarHBondContact N-OE2 3.22Å; S3-E6 PolarHBondContact O-N 3.24Å; S3-E6 WeakPolarHBondContact OG-CB 3.47Å; S3-E6 VanDerWaalsContact OG-CD 3.25Å; S3-E6 VanDerWaalsContact OG-CG 3.26Å; S3-E6 WeakPolarHBondContact OG-CG 3.49Å; S3-E6 PolarHBondContact OG-N 3.33Å; S3-E6 PolarHBondContact OG-OE1 3.19Å; E6-Y8 PolarHBondContact O-N 3.11Å; E6-E9 PolarHBondContact O-N 3.27Å; E6-M10 WeakPolarHBondContact O-CB 3.21Å; E6-M10 WeakPolarHBondContact O-CG 3.48Å; E6-M10 PolarHBondContact O-N 2.98Å
7L65.1Low61.3Low3 Ų360.8 Ų60.82%0.01635%0.348CS..Hα-helixtrans-59.4-30.7172.5-73.2-176.6000112.4P2 S3 S5 S11 R36 I40 F93P2-L7 HydrophobicContact CB-CD2 3.78Å; P2-L7 HydrophobicContact CB-CG 4.03Å; P2-L7 HydrophobicContact CG-CD2 3.81Å; S3-L7 WeakPolarHBondContact O-CG 3.48Å; S3-L7 PolarHBondContact O-N 3.17Å; S5-L7 VanDerWaalsContact C-N 3.31Å; S5-L7 PolarHBondContact O-N 3.15Å; L7-S11 VanDerWaalsContact O-CB 3.27Å; L7-S11 WeakPolarHBondContact O-CB 3.13Å; L7-S11 PolarHBondContact O-N 3.48Å; L7-R36 HydrophobicContact CD1-CB 3.89Å; L7-R36 HydrophobicContact CD1-CG 4.08Å; L7-I40 HydrophobicContact CD1-CD1 4.39Å; L7-I40 HydrophobicContact CD1-CG1 4.13Å; L7-I40 HydrophobicContact CD2-CD1 3.91Å; L7-I40 HydrophobicContact CD2-CG1 3.53Å; L7-F93 HydrophobicContact CD2-CE1 4.01Å
8Y63.8Low62.5Low123 Ų12358.2 Ų58.248%0.48233%0.334SS..Hα-helixtrans-75.4-47.8178.5-145.5-87.6000111.4S5 E6 M10 S11 S12 P238S5-Y8 WeakPolarHBondContact O-CA 3.29Å; S5-Y8 VanDerWaalsContact O-CB 3.23Å; S5-Y8 WeakPolarHBondContact O-CB 3.46Å; S5-Y8 PolarHBondContact O-N 3.18Å; E6-Y8 PolarHBondContact O-N 3.11Å; Y8-M10 VanDerWaalsContact C-N 3.32Å; Y8-M10 PolarHBondContact O-N 2.86Å; Y8-S11 PolarHBondContact O-N 2.88Å; Y8-S11 VanDerWaalsContact O-N 3.09Å; Y8-S11 PolarHBondContact O-OG 3.1Å; Y8-S12 PolarHBondContact O-N 3.43Å; Y8-S12 PolarHBondContact O-OG 2.78Å; Y8-P238 WeakPolarHBondContact OH-CB 3.31Å; Y8-P238 VanDerWaalsContact OH-CG 3.26Å; Y8-P238 WeakPolarHBondContact OH-CG 3.34Å
9E60.3Low63.9Low130 Ų13055.1 Ų55.161%0.60732%0.317SS*.Hα-helixtrans-64.7-33.9174.6-66.3175.9173.900112.6S5 E6 S12 T13S5-E9 PolarHBondContact O-N 3.43Å; E6-E9 PolarHBondContact O-N 3.27Å; E9-S12 PolarHBondContact O-OG 2.88Å; E9-S12 VanDerWaalsContact O-OG 3.09Å; E9-T13 WeakPolarHBondContact O-CG2 3.49Å; E9-T13 PolarHBondContact O-OG1 2.82Å
10M62.2Low64.8Low28 Ų2856.5 Ų56.514%0.13833%0.328CS..Hα-helixtrans-69.5-37.9169.8-71.717871.300111.4P2 E6 Y8 S12 T13 L14 F93 K94P2-M10 HydrophobicContact CB-SD 4.13Å; P2-M10 HydrophobicContact CG-SD 4.06Å; E6-M10 WeakPolarHBondContact O-CB 3.21Å; E6-M10 WeakPolarHBondContact O-CG 3.48Å; E6-M10 PolarHBondContact O-N 2.98Å; Y8-M10 VanDerWaalsContact C-N 3.32Å; Y8-M10 PolarHBondContact O-N 2.86Å; M10-S12 VanDerWaalsContact C-N 3.31Å; M10-S12 PolarHBondContact O-N 3.44Å; M10-T13 WeakPolarHBondContact CA-OG1 3.3Å; M10-T13 PolarHBondContact O-N 2.83Å; M10-T13 PolarHBondContact O-OG1 2.8Å; M10-L14 HydrophobicContact CB-CD1 3.98Å; M10-L14 HydrophobicContact CE-CD1 3.68Å; M10-L14 HydrophobicContact CG-CD1 3.97Å; M10-L14 WeakPolarHBondContact O-CA 3.39Å; M10-L14 WeakPolarHBondContact O-CB 3.33Å; M10-L14 PolarHBondContact O-N 3.36Å; M10-F93 HydrophobicContact CB-CE1 3.7Å; M10-F93 HydrophobicContact CB-CZ 3.81Å; M10-F93 HydrophobicContact CE-CD1 3.6Å; M10-F93 HydrophobicContact CE-CE1 3.54Å; M10-F93 HydrophobicContact CE-CZ 4.45Å; M10-F93 HydrophobicContact SD-CE1 4.16Å; M10-K94 HydrophobicContact CE-CB 4.49Å; M10-K94 HydrophobicContact CE-CG 3.48Å; M10-K94 VanDerWaalsContact CE-CG 3.48Å
11S62Low65.9Low30 Ų3058.4 Ų58.421%0.2134%0.337CS..Hα-helixtrans-65.9-31.5-18074.60000113.7L7 Y8 F43L7-S11 VanDerWaalsContact O-CB 3.27Å; L7-S11 WeakPolarHBondContact O-CB 3.13Å; L7-S11 PolarHBondContact O-N 3.48Å; Y8-S11 PolarHBondContact O-N 2.88Å; Y8-S11 VanDerWaalsContact O-N 3.09Å; Y8-S11 PolarHBondContact O-OG 3.1Å; S11-F43 VanDerWaalsContact CB-CE1 3.46Å
12S56.4Low67.2Low96 Ų9654.4 Ų54.467%0.67132%0.317SS*.THydrogen-bonded Turntrans-81.4-11.417656.70000114Y8 E9 M10Y8-S12 PolarHBondContact O-N 3.43Å; Y8-S12 PolarHBondContact O-OG 2.78Å; E9-S12 PolarHBondContact O-OG 2.88Å; E9-S12 VanDerWaalsContact O-OG 3.09Å; M10-S12 VanDerWaalsContact C-N 3.31Å; M10-S12 PolarHBondContact O-N 3.44Å
13T54Low68.5Low106 Ų10656.5 Ų56.565%0.6533%0.326SS*.THydrogen-bonded Turntrans-115.9-32.9-177.551.90000114E9 M10E9-T13 WeakPolarHBondContact O-CG2 3.49Å; E9-T13 PolarHBondContact O-OG1 2.82Å; M10-T13 WeakPolarHBondContact CA-OG1 3.3Å; M10-T13 PolarHBondContact O-N 2.83Å; M10-T13 PolarHBondContact O-OG1 2.8Å
14L58.7Low70.1Confident46 Ų4654.6 Ų54.624%0.24131%0.313CS..  trans-113.242.1-174-65153.3000111.3M10 S16 F93 S96M10-L14 HydrophobicContact CB-CD1 3.98Å; M10-L14 HydrophobicContact CE-CD1 3.68Å; M10-L14 HydrophobicContact CG-CD1 3.97Å; M10-L14 WeakPolarHBondContact O-CA 3.39Å; M10-L14 WeakPolarHBondContact O-CB 3.33Å; M10-L14 PolarHBondContact O-N 3.36Å; L14-S16 VanDerWaalsContact C-N 3.27Å; L14-S16 WeakPolarHBondContact O-CB 3.45Å; L14-S16 PolarHBondContact O-N 2.77Å; L14-S16 PolarHBondContact O-OG 3.09Å; L14-F93 HydrophobicContact CB-CE2 4.44Å; L14-S96 WeakPolarHBondContact CD2-OG 3.46Å
15G52.3Low71.6Confident47 Ų4753 Ų5349%0.48530%0.298SS..  trans-62.578.2-179.300000113.3K224G15-K224 WeakPolarHBondContact O-CE 3.42Å; G15-K224 PolarHBondContact O-NZ 3.18Å
16S58.3Low73Confident8 Ų849.6 Ų49.66%0.05627%0.274CS..  trans-128.3101.8-163.355.70000111.4L14 C18 C44 S96L14-S16 VanDerWaalsContact C-N 3.27Å; L14-S16 WeakPolarHBondContact O-CB 3.45Å; L14-S16 PolarHBondContact O-N 2.77Å; L14-S16 PolarHBondContact O-OG 3.09Å; S16-C18 PolarHBondContact O-N 2.95Å; S16-C18 PolarHBondContact O-SG 3.38Å; S16-C18 VanDerWaalsContact O-SG 3.32Å; S16-C44 WeakPolarHBondContact O-CA 3.39Å; S16-S96 VanDerWaalsContact CB-CB 3.44Å; S16-S96 WeakPolarHBondContact CB-OG 3.26Å; S16-S96 WeakPolarHBondContact OG-CA 3.48Å; S16-S96 PolarHBondContact OG-OG 3.36Å
17F71.8Confident74.2Confident56 Ų5647.2 Ų47.225%0.24626%0.261CS..  trans-72.172.5163.8-80.2-115.3000108.8C44 G45 P223F17-C44 CarbonylContact C-O 3.6Å; F17-C44 VanDerWaalsContact CA-O 3.3Å; F17-C44 WeakPolarHBondContact CA-O 3.3Å; F17-G45 VanDerWaalsContact CE1-CA 3.47Å; F17-P223 HydrophobicContact CB-CB 3.63Å; F17-P223 HydrophobicContact CB-CG 4.45Å; F17-P223 HydrophobicContact CD1-CB 3.32Å; F17-P223 HydrophobicContact CD2-CB 3.39Å; F17-P223 HydrophobicContact CE1-CB 3.69Å; F17-P223 HydrophobicContact CE2-CB 3.74Å; F17-P223 WeakPolarHBondContact CE2-O 3.37Å; F17-P223 HydrophobicContact CG-CB 3.15Å; F17-P223 HydrophobicContact CG-CG 4.39Å; F17-P223 HydrophobicContact CZ-CB 3.88Å
18C84.2Confident75.3Confident14 Ų1448.4 Ų48.410%0.09527%0.274CS..  trans-87-15.9-177.350.60000112.5S16 P20 C44 R98S16-C18 PolarHBondContact O-N 2.95Å; S16-C18 PolarHBondContact O-SG 3.38Å; S16-C18 VanDerWaalsContact O-SG 3.32Å; C18-P20 VanDerWaalsContact C-CD 3.42Å; C18-C44 PolarHBondContact N-O 3.4Å; C18-C44 VanDerWaalsContact N-O 3.15Å; C18-R98 WeakPolarHBondContact O-CB 3.45Å
19L88Confident76.5Confident0 Ų043.6 Ų43.60%026%0.256CS..  trans-128.743.2-178-57.5177000112.9D21 C22 I24 C44 A46 W88 L89 R98L19-D21 VanDerWaalsContact C-N 3.29Å; L19-D21 PolarHBondContact O-N 3.02Å; L19-C22 HydrophobicContact CB-CB 3.91Å; L19-C22 WeakPolarHBondContact O-CB 3.25Å; L19-C22 PolarHBondContact O-N 3.47Å; L19-C22 VanDerWaalsContact O-N 3.07Å; L19-I24 HydrophobicContact CD1-CD1 4.07Å; L19-C44 HydrophobicContact CB-CB 4.1Å; L19-C44 HydrophobicContact CD1-CB 3.88Å; L19-C44 HydrophobicContact CG-CB 4.11Å; L19-C44 PolarHBondContact N-O 3.05Å; L19-A46 HydrophobicContact CB-CB 3.97Å; L19-A46 WeakPolarHBondContact O-CA 3.24Å; L19-A46 WeakPolarHBondContact O-CB 3.46Å; L19-W88 HydrophobicContact CD1-CH2 3.74Å; L19-W88 HydrophobicContact CD1-CZ2 4.35Å; L19-W88 HydrophobicContact CD1-CZ3 3.96Å; L19-W88 HydrophobicContact CD2-CH2 3.64Å; L19-W88 HydrophobicContact CD2-CZ2 3.6Å; L19-W88 HydrophobicContact CG-CH2 4.31Å; L19-L89 HydrophobicContact CD1-CD1 3.8Å; L19-R98 HydrophobicContact CD2-CB 3.77Å; L19-R98 HydrophobicContact CD2-CG 3.63Å
20P83.1Confident77.7Confident82 Ų8241.4 Ų41.453%0.53225%0.248SC..THydrogen-bonded Turntrans-70.8-19.9-168.432.5-37.8000114.6C18C18-P20 VanDerWaalsContact C-CD 3.42Å
21D87.1Confident78.7Confident98 Ų9843 Ų4352%0.52427%0.266SS..THydrogen-bonded Turntrans-90.7-10.3175.269.8-44.8000112.6L19 R98L19-D21 VanDerWaalsContact C-N 3.29Å; L19-D21 PolarHBondContact O-N 3.02Å; D21-R98 IonicContact OD1-NH1 3.22Å; D21-R98 PolarHBondContact OD1-NH1 3.06Å; D21-R98 IonicContact OD2-CZ 3.53Å; D21-R98 IonicContact OD2-NH1 2.8Å; D21-R98 PolarHBondContact OD2-NH1 3.12Å
22C89.2Confident79.6Confident1 Ų145.2 Ų45.21%0.00728%0.278CS..  trans-87.7119.3-168.7-63.50000111.3L19 I24 A46 I47 T57 H58 R98L19-C22 HydrophobicContact CB-CB 3.91Å; L19-C22 WeakPolarHBondContact O-CB 3.25Å; L19-C22 PolarHBondContact O-N 3.47Å; L19-C22 VanDerWaalsContact O-N 3.07Å; C22-I24 HydrophobicContact CB-CD1 4.1Å; C22-I24 HydrophobicContact CB-CG1 3.95Å; C22-A46 HydrophobicContact CB-CB 4.19Å; C22-A46 CarbonylContact O-C 3.44Å; C22-A46 WeakPolarHBondContact O-CA 3.33Å; C22-A46 VanDerWaalsContact O-CB 3.24Å; C22-A46 WeakPolarHBondContact O-CB 3.33Å; C22-I47 PolarHBondContact O-N 2.68Å; C22-T57 WeakPolarHBondContact CA-OG1 3.11Å; C22-H58 VanDerWaalsContact SG-CE1 3.51Å; C22-R98 PolarHBondContact SG-NH1 3.08Å
23K90.9Very high81Confident49 Ų4943 Ų4321%0.21326%0.259CS..EExtended strand (participates in β ladder)trans-96.4117.9162.4-176.8164.1178-177.90109.8I47 A49 S55 T57 H58K23-I47 CarbonylContact C-O 3.57Å; K23-I47 VanDerWaalsContact CA-O 3.3Å; K23-I47 WeakPolarHBondContact CA-O 3.36Å; K23-I47 HydrophobicContact CB-CB 4.35Å; K23-I47 HydrophobicContact CD-CG2 4.36Å; K23-I47 HydrophobicContact CG-CB 4.32Å; K23-I47 HydrophobicContact CG-CG2 4.26Å; K23-A49 HydrophobicContact CD-CB 4.47Å; K23-A49 HydrophobicContact CG-CB 3.85Å; K23-S55 WeakPolarHBondContact CB-O 3.4Å; K23-S55 WeakPolarHBondContact CD-OG 3.45Å; K23-S55 WeakPolarHBondContact CE-OG 3.48Å; K23-S55 PolarHBondContact NZ-OG 2.74Å; K23-T57 PolarHBondContact N-OG1 2.82Å; K23-T57 PolarHBondContact O-N 2.7Å; K23-T57 PolarHBondContact O-OG1 3.26Å; K23-H58 PolarHBondContact O-N 2.84Å; K23-H58 VanDerWaalsContact O-N 3.08Å
24I93.1Very high82.6Confident0 Ų043.2 Ų43.20%025%0.247CC..EExtended strand (participates in β ladder)trans-120.8118.2-163.6-53.7178000110.4L19 C22 V26 I41 A46 I47 A49 H58 V60 W88 L89L19-I24 HydrophobicContact CD1-CD1 4.07Å; C22-I24 HydrophobicContact CB-CD1 4.1Å; C22-I24 HydrophobicContact CB-CG1 3.95Å; I24-V26 HydrophobicContact CG2-CG2 4.45Å; I24-I41 HydrophobicContact CB-CD1 4.01Å; I24-I41 HydrophobicContact CB-CG1 4.47Å; I24-I41 HydrophobicContact CD1-CG1 4.14Å; I24-I41 HydrophobicContact CG2-CD1 3.81Å; I24-I41 HydrophobicContact CG2-CG1 4.44Å; I24-A46 HydrophobicContact CD1-CB 3.42Å; I24-A46 VanDerWaalsContact CD1-CB 3.42Å; I24-A46 HydrophobicContact CG1-CB 4.02Å; I24-I47 PolarHBondContact N-O 2.73Å; I24-A49 PolarHBondContact O-N 2.79Å; I24-H58 WeakPolarHBondContact CA-O 3.47Å; I24-H58 HydrophobicContact CG1-CB 4.18Å; I24-H58 HydrophobicContact CG2-CB 4.39Å; I24-V60 HydrophobicContact CG2-CB 4.18Å; I24-V60 HydrophobicContact CG2-CG2 3.6Å; I24-W88 HydrophobicContact CD1-CH2 4.34Å; I24-W88 HydrophobicContact CD1-CZ3 3.91Å; I24-L89 HydrophobicContact CD1-CD1 4.24Å
25W93.3Very high83.9Confident22 Ų2245.7 Ų45.78%0.08326%0.258CS..EExtended strand (participates in β ladder)trans-88.8135168.1-174.829.3000110.1Y27 A49 D50 A52 T56 H58 L59 V60 L73 F78W25-Y27 AromaticContact CE2-CD2 3.77Å; W25-Y27 HydrophobicContact CH2-CD2 4.07Å; W25-Y27 HydrophobicContact CH2-CE2 4.32Å; W25-Y27 HydrophobicContact CH2-CG 4.47Å; W25-Y27 AromaticContact CZ2-CD2 3.37Å; W25-Y27 HydrophobicContact CZ2-CD2 3.37Å; W25-Y27 AromaticContact CZ2-CE2 3.79Å; W25-Y27 HydrophobicContact CZ2-CE2 3.79Å; W25-Y27 HydrophobicContact CZ2-CG 4.07Å; W25-A49 HydrophobicContact CB-CB 4.26Å; W25-D50 PolarHBondContact NE1-O 2.74Å; W25-A52 HydrophobicContact CE3-CB 4Å; W25-A52 HydrophobicContact CH2-CB 4.45Å; W25-A52 HydrophobicContact CZ3-CB 3.7Å; W25-T56 HydrophobicContact CB-CG2 3.83Å; W25-H58 PolarHBondContact N-O 3.5Å; W25-L59 HydrophobicContact CB-CD1 4.3Å; W25-L59 HydrophobicContact CD2-CD1 4Å; W25-L59 HydrophobicContact CE3-CD1 3.72Å; W25-L59 HydrophobicContact CE3-CD2 4.31Å; W25-L59 HydrophobicContact CE3-CG 4.48Å; W25-L59 HydrophobicContact CG-CD1 4.27Å; W25-L59 HydrophobicContact CZ3-CD1 4.41Å; W25-L59 HydrophobicContact CZ3-CD2 4.43Å; W25-V60 PolarHBondContact O-N 3.41Å; W25-L73 HydrophobicContact CH2-CD2 3.72Å; W25-L73 HydrophobicContact CZ3-CD2 3.74Å; W25-F78 HydrophobicContact CE3-CE1 4.25Å; W25-F78 AromaticContact CZ3-CE1 3.96Å; W25-F78 HydrophobicContact CZ3-CE1 3.96Å; W25-F78 AromaticContact CZ3-CZ 3.93Å; W25-F78 HydrophobicContact CZ3-CZ 3.93Å
26V92.4Very high85.5Confident9 Ų946.6 Ų46.66%0.05525%0.247CC..EExtended strand (participates in β ladder)trans-113.6117.1178.4176.10000109.2I24 F29 R34 L37 F38 I41 V60I24-V26 HydrophobicContact CG2-CG2 4.45Å; V26-F29 HydrophobicContact CG1-CD2 3.51Å; V26-F29 HydrophobicContact CG1-CE2 3.98Å; V26-F29 HydrophobicContact CG1-CG 4.36Å; V26-R34 HydrophobicContact CG1-CG 4.25Å; V26-L37 HydrophobicContact CG1-CB 4.16Å; V26-L37 HydrophobicContact CG1-CD1 3.61Å; V26-L37 HydrophobicContact CG2-CB 4.38Å; V26-F38 HydrophobicContact CB-CE1 4.03Å; V26-F38 HydrophobicContact CG2-CD1 4.28Å; V26-F38 HydrophobicContact CG2-CE1 4.01Å; V26-I41 HydrophobicContact CG2-CD1 3.43Å; V26-I41 VanDerWaalsContact CG2-CD1 3.43Å; V26-V60 WeakPolarHBondContact CA-O 3.18Å; V26-V60 HydrophobicContact CG2-CB 4.35Å
27Y91.7Very high87.1Confident44 Ų4446.2 Ų46.217%0.17324%0.244CC..EExtended strand (participates in β ladder)trans-138147-171.2-165.6-96.9000113.3W25 F29 V60 L61 N62 D69 L73W25-Y27 AromaticContact CE2-CD2 3.77Å; W25-Y27 HydrophobicContact CH2-CD2 4.07Å; W25-Y27 HydrophobicContact CH2-CE2 4.32Å; W25-Y27 HydrophobicContact CH2-CG 4.47Å; W25-Y27 AromaticContact CZ2-CD2 3.37Å; W25-Y27 HydrophobicContact CZ2-CD2 3.37Å; W25-Y27 AromaticContact CZ2-CE2 3.79Å; W25-Y27 HydrophobicContact CZ2-CE2 3.79Å; W25-Y27 HydrophobicContact CZ2-CG 4.07Å; Y27-F29 VanDerWaalsContact O-CD2 3.23Å; Y27-F29 WeakPolarHBondContact O-CD2 3.25Å; Y27-F29 VanDerWaalsContact O-CE2 3.25Å; Y27-F29 WeakPolarHBondContact O-CE2 3.39Å; Y27-V60 PolarHBondContact N-O 3.2Å; Y27-L61 HydrophobicContact CD1-CD1 3.8Å; Y27-L61 HydrophobicContact CG-CD1 4.47Å; Y27-N62 PolarHBondContact O-N 2.93Å; Y27-N62 VanDerWaalsContact O-N 3.12Å; Y27-D69 HydrophobicContact CE1-CB 3.96Å; Y27-L73 HydrophobicContact CD1-CD1 3.94Å; Y27-L73 HydrophobicContact CD1-CD2 3.95Å; Y27-L73 HydrophobicContact CD1-CG 4.25Å; Y27-L73 HydrophobicContact CE1-CD1 3.84Å; Y27-L73 HydrophobicContact CE1-CD2 3.95Å; Y27-L73 HydrophobicContact CE1-CG 3.91Å; Y27-L73 HydrophobicContact CG-CD2 4.44Å
28G88Confident88Confident28 Ų2846.5 Ų46.529%0.28925%0.245SC..SBendtrans82.47.7-178.900000116.2N62G28-N62 VanDerWaalsContact O-CB 3.31Å; G28-N62 WeakPolarHBondContact O-CB 3.37Å; G28-N62 PolarHBondContact O-ND2 2.68Å
29F89.4Confident88.1Confident21 Ų2149.5 Ų49.59%0.09226%0.257CS..  trans-104.4148-179.1-60.1-86.5000112.9V26 Y27 L33 R34 L37 V60 N62 F86V26-F29 HydrophobicContact CG1-CD2 3.51Å; V26-F29 HydrophobicContact CG1-CE2 3.98Å; V26-F29 HydrophobicContact CG1-CG 4.36Å; Y27-F29 VanDerWaalsContact O-CD2 3.23Å; Y27-F29 WeakPolarHBondContact O-CD2 3.25Å; Y27-F29 VanDerWaalsContact O-CE2 3.25Å; Y27-F29 WeakPolarHBondContact O-CE2 3.39Å; F29-L33 HydrophobicContact CB-CB 4.3Å; F29-L33 HydrophobicContact CD1-CB 4.34Å; F29-L33 HydrophobicContact CD1-CD1 4.44Å; F29-R34 HydrophobicContact CB-CB 4.26Å; F29-L37 HydrophobicContact CB-CD1 4.47Å; F29-L37 HydrophobicContact CD1-CD1 3.76Å; F29-L37 HydrophobicContact CD2-CD1 3.67Å; F29-L37 HydrophobicContact CE1-CD1 3.81Å; F29-L37 HydrophobicContact CE2-CD1 3.73Å; F29-L37 HydrophobicContact CG-CD1 3.68Å; F29-L37 HydrophobicContact CZ-CD1 3.8Å; F29-V60 HydrophobicContact CE2-CG1 4Å; F29-V60 HydrophobicContact CZ-CG1 4.19Å; F29-N62 HydrophobicContact CD1-CB 3.93Å; F29-N62 HydrophobicContact CD2-CB 4.17Å; F29-N62 HydrophobicContact CE1-CB 3.64Å; F29-N62 HydrophobicContact CE2-CB 3.9Å; F29-N62 VanDerWaalsContact CE2-N 3.34Å; F29-N62 HydrophobicContact CG-CB 4.18Å; F29-N62 HydrophobicContact CZ-CB 3.62Å; F29-N62 VanDerWaalsContact CZ-N 3.32Å; F29-F86 HydrophobicContact CE1-CB 4.11Å; F29-F86 HydrophobicContact CE1-CD1 4.15Å; F29-F86 HydrophobicContact CE1-CG 4.3Å; F29-F86 HydrophobicContact CZ-CB 3.8Å; F29-F86 HydrophobicContact CZ-CD1 4.33Å; F29-F86 HydrophobicContact CZ-CG 4.41Å
30D85.4Confident88.1Confident84 Ų8449.5 Ų49.545%0.44926%0.257SS..  trans-64.1167.8169.272.174.8000112.3T32 L33 R34D30-T32 VanDerWaalsContact C-N 3.33Å; D30-T32 PolarHBondContact O-N 2.78Å; D30-T32 WeakPolarHBondContact OD1-CA 3.42Å; D30-T32 WeakPolarHBondContact OD1-CB 3.27Å; D30-T32 PolarHBondContact OD1-N 2.98Å; D30-L33 PolarHBondContact O-N 3.06Å; D30-L33 PolarHBondContact OD1-N 3.32Å; D30-L33 VanDerWaalsContact OD2-CD1 3.24Å; D30-L33 WeakPolarHBondContact OD2-CD1 3.02Å; D30-L33 WeakPolarHBondContact OD2-CG 3.49Å; D30-R34 WeakPolarHBondContact O-CB 3.12Å; D30-R34 PolarHBondContact O-N 3.15Å
31A82.7Confident88.5Confident62 Ų6245.6 Ų45.651%0.51223%0.231SC..Hα-helixtrans-60.2-38-17600000113.8E35A31-E35 WeakPolarHBondContact O-CB 3.45Å; A31-E35 PolarHBondContact O-N 2.81Å
32T81.8Confident88.4Confident76 Ų7645 Ų4547%0.46623%0.228SC..Hα-helixtrans-77.3-40.3-176.7-56.60000111.8D30 R36D30-T32 VanDerWaalsContact C-N 3.33Å; D30-T32 PolarHBondContact O-N 2.78Å; D30-T32 WeakPolarHBondContact OD1-CA 3.42Å; D30-T32 WeakPolarHBondContact OD1-CB 3.27Å; D30-T32 PolarHBondContact OD1-N 2.98Å; T32-R36 WeakPolarHBondContact O-CG 3.36Å; T32-R36 PolarHBondContact O-N 3.15Å
33L84.9Confident88.1Confident51 Ų5147.6 Ų47.627%0.26724%0.239SC..Hα-helixtrans-67.7-42.2171.9-72.6-176000111.5M1 F29 D30 E35 R36 L37M1-L33 HydrophobicContact CE-CD2 4.22Å; M1-L33 HydrophobicContact CG-CD2 4.29Å; F29-L33 HydrophobicContact CB-CB 4.3Å; F29-L33 HydrophobicContact CD1-CB 4.34Å; F29-L33 HydrophobicContact CD1-CD1 4.44Å; D30-L33 PolarHBondContact O-N 3.06Å; D30-L33 PolarHBondContact OD1-N 3.32Å; D30-L33 VanDerWaalsContact OD2-CD1 3.24Å; D30-L33 WeakPolarHBondContact OD2-CD1 3.02Å; D30-L33 WeakPolarHBondContact OD2-CG 3.49Å; L33-E35 PolarHBondContact O-N 2.72Å; L33-R36 WeakPolarHBondContact O-CB 3.43Å; L33-R36 PolarHBondContact O-N 3.27Å; L33-L37 WeakPolarHBondContact O-CG 3.34Å; L33-L37 PolarHBondContact O-N 3.1Å
34R89.1Confident87.8Confident109 Ų10945.2 Ų45.241%0.41123%0.229SC..Hα-helixtrans-61.4-42176.9-179172.859.3-161.4-4.4112.5V26 F29 D30 R36 L37 F38V26-R34 HydrophobicContact CG1-CG 4.25Å; F29-R34 HydrophobicContact CB-CB 4.26Å; D30-R34 WeakPolarHBondContact O-CB 3.12Å; D30-R34 PolarHBondContact O-N 3.15Å; R34-R36 VanDerWaalsContact C-N 3.32Å; R34-R36 PolarHBondContact O-N 3.18Å; R34-L37 PolarHBondContact O-N 3.23Å; R34-F38 HydrophobicContact CG-CD2 3.93Å; R34-F38 HydrophobicContact CG-CE2 3.46Å; R34-F38 VanDerWaalsContact CG-CE2 3.46Å; R34-F38 HydrophobicContact CG-CZ 3.82Å; R34-F38 PolarHBondContact O-N 3.32Å
35E85.4Confident87.3Confident99 Ų9946 Ų4646%0.46324%0.238SC..Hα-helixtrans-61.1-40.1174.9-166.9-158.9141.200111.9A31 L33 K39A31-E35 WeakPolarHBondContact O-CB 3.45Å; A31-E35 PolarHBondContact O-N 2.81Å; L33-E35 PolarHBondContact O-N 2.72Å; E35-K39 WeakPolarHBondContact O-CG 3.43Å; E35-K39 PolarHBondContact O-N 2.94Å; E35-K39 VanDerWaalsContact O-N 3.12Å; E35-K39 VanDerWaalsContact OE1-CE 3.32Å; E35-K39 WeakPolarHBondContact OE1-CE 3.48Å; E35-K39 IonicContact OE1-NZ 2.68Å; E35-K39 PolarHBondContact OE1-NZ 2.86Å
36R86.6Confident87.1Confident66 Ų6645.3 Ų45.325%0.24924%0.236CC..Hα-helixtrans-66.7-38.9173.9-71.5179.1-175.6152.56.5112.3M1 S4 L7 T32 L33 R34 K39 I40M1-R36 HydrophobicContact CE-CB 3.71Å; S4-R36 PolarHBondContact OG-NE 3.33Å; S4-R36 VanDerWaalsContact OG-NE 3.1Å; L7-R36 HydrophobicContact CD1-CB 3.89Å; L7-R36 HydrophobicContact CD1-CG 4.08Å; T32-R36 WeakPolarHBondContact O-CG 3.36Å; T32-R36 PolarHBondContact O-N 3.15Å; L33-R36 WeakPolarHBondContact O-CB 3.43Å; L33-R36 PolarHBondContact O-N 3.27Å; R34-R36 VanDerWaalsContact C-N 3.32Å; R34-R36 PolarHBondContact O-N 3.18Å; R36-K39 PolarHBondContact O-N 3.02Å; R36-I40 WeakPolarHBondContact O-CD1 3.44Å; R36-I40 WeakPolarHBondContact O-CG1 3.47Å; R36-I40 PolarHBondContact O-N 3.44Å; R36-I40 VanDerWaalsContact O-N 3.12Å
37L90.8Very high86.8Confident0 Ų048.4 Ų48.40%025%0.252CS..Hα-helixtrans-66.6-41.7176.1-68.4171.7000112M1 V26 F29 L33 R34 K39 I40 I41 F86 L89M1-L37 HydrophobicContact CE-CD2 3.57Å; M1-L37 HydrophobicContact CE-CG 3.69Å; M1-L37 HydrophobicContact SD-CD2 3.82Å; V26-L37 HydrophobicContact CG1-CB 4.16Å; V26-L37 HydrophobicContact CG1-CD1 3.61Å; V26-L37 HydrophobicContact CG2-CB 4.38Å; F29-L37 HydrophobicContact CB-CD1 4.47Å; F29-L37 HydrophobicContact CD1-CD1 3.76Å; F29-L37 HydrophobicContact CD2-CD1 3.67Å; F29-L37 HydrophobicContact CE1-CD1 3.81Å; F29-L37 HydrophobicContact CE2-CD1 3.73Å; F29-L37 HydrophobicContact CG-CD1 3.68Å; F29-L37 HydrophobicContact CZ-CD1 3.8Å; L33-L37 WeakPolarHBondContact O-CG 3.34Å; L33-L37 PolarHBondContact O-N 3.1Å; R34-L37 PolarHBondContact O-N 3.23Å; L37-K39 PolarHBondContact O-N 2.9Å; L37-I40 HydrophobicContact CD2-CD1 4.35Å; L37-I40 PolarHBondContact O-N 3.41Å; L37-I41 WeakPolarHBondContact O-CG1 3.47Å; L37-I41 PolarHBondContact O-N 3.49Å; L37-F86 HydrophobicContact CD2-CB 4.04Å; L37-L89 HydrophobicContact CB-CD2 4.49Å; L37-L89 HydrophobicContact CD2-CD2 4.04Å
38F90.8Very high86.6Confident61 Ų6148.4 Ų48.427%0.26826%0.258SS..Hα-helixtrans-62.4-40.4174.1-69.5-36.7000112.3V26 R34 I40 I41 D42V26-F38 HydrophobicContact CB-CE1 4.03Å; V26-F38 HydrophobicContact CG2-CD1 4.28Å; V26-F38 HydrophobicContact CG2-CE1 4.01Å; R34-F38 HydrophobicContact CG-CD2 3.93Å; R34-F38 HydrophobicContact CG-CE2 3.46Å; R34-F38 VanDerWaalsContact CG-CE2 3.46Å; R34-F38 HydrophobicContact CG-CZ 3.82Å; R34-F38 PolarHBondContact O-N 3.32Å; F38-I40 VanDerWaalsContact C-N 3.31Å; F38-I40 PolarHBondContact O-N 3.07Å; F38-I41 HydrophobicContact CD1-CD1 4.12Å; F38-I41 WeakPolarHBondContact O-CB 3.45Å; F38-I41 PolarHBondContact O-N 3.2Å; F38-I41 VanDerWaalsContact O-N 3.11Å; F38-D42 PolarHBondContact O-N 2.61Å
39K86.1Confident86.6Confident78 Ų7847.3 Ų47.334%0.33925%0.246SC..Hα-helixtrans-59.7-39.8172.6-72.3171.2-175.2175.20112.4E35 R36 L37 F43E35-K39 WeakPolarHBondContact O-CG 3.43Å; E35-K39 PolarHBondContact O-N 2.94Å; E35-K39 VanDerWaalsContact O-N 3.12Å; E35-K39 VanDerWaalsContact OE1-CE 3.32Å; E35-K39 WeakPolarHBondContact OE1-CE 3.48Å; E35-K39 IonicContact OE1-NZ 2.68Å; E35-K39 PolarHBondContact OE1-NZ 2.86Å; R36-K39 PolarHBondContact O-N 3.02Å; L37-K39 PolarHBondContact O-N 2.9Å; K39-F43 HydrophobicContact CB-CE2 4.2Å; K39-F43 WeakPolarHBondContact O-CD2 3.46Å; K39-F43 WeakPolarHBondContact O-CG 3.31Å; K39-F43 PolarHBondContact O-N 3.31Å
40I88.5Confident86.3Confident0 Ų053.6 Ų53.60%028%0.281CS..Hα-helixtrans-65.9-41174.4-61157.5000111.1M1 L7 R36 L37 F38 F43 C44 L89 V90 F93M1-I40 HydrophobicContact CE-CD1 4.38Å; M1-I40 HydrophobicContact SD-CD1 4.3Å; L7-I40 HydrophobicContact CD1-CD1 4.39Å; L7-I40 HydrophobicContact CD1-CG1 4.13Å; L7-I40 HydrophobicContact CD2-CD1 3.91Å; L7-I40 HydrophobicContact CD2-CG1 3.53Å; R36-I40 WeakPolarHBondContact O-CD1 3.44Å; R36-I40 WeakPolarHBondContact O-CG1 3.47Å; R36-I40 PolarHBondContact O-N 3.44Å; R36-I40 VanDerWaalsContact O-N 3.12Å; L37-I40 HydrophobicContact CD2-CD1 4.35Å; L37-I40 PolarHBondContact O-N 3.41Å; F38-I40 VanDerWaalsContact C-N 3.31Å; F38-I40 PolarHBondContact O-N 3.07Å; I40-F43 PolarHBondContact O-N 3.3Å; I40-C44 WeakPolarHBondContact O-CB 3.5Å; I40-C44 PolarHBondContact O-N 2.88Å; I40-C44 PolarHBondContact O-SG 2.77Å; I40-L89 HydrophobicContact CB-CD2 4.45Å; I40-L89 HydrophobicContact CB-CG 4.36Å; I40-L89 HydrophobicContact CG2-CD1 3.85Å; I40-L89 HydrophobicContact CG2-CD2 4.33Å; I40-L89 HydrophobicContact CG2-CG 3.72Å; I40-V90 HydrophobicContact CD1-CG2 3.98Å; I40-F93 HydrophobicContact CG1-CD1 4.43Å; I40-F93 HydrophobicContact CG2-CB 3.74Å; I40-F93 HydrophobicContact CG2-CD1 4.03Å; I40-F93 HydrophobicContact CG2-CG 3.9Å
41I90.4Very high86.2Confident0 Ų050.8 Ų50.80%027%0.272CS..Hα-helixtrans-58.6-49.2175.9-73.6169.2000110.7I24 V26 L37 F38 F43 C44 G45 A46 L89I24-I41 HydrophobicContact CB-CD1 4.01Å; I24-I41 HydrophobicContact CB-CG1 4.47Å; I24-I41 HydrophobicContact CD1-CG1 4.14Å; I24-I41 HydrophobicContact CG2-CD1 3.81Å; I24-I41 HydrophobicContact CG2-CG1 4.44Å; V26-I41 HydrophobicContact CG2-CD1 3.43Å; V26-I41 VanDerWaalsContact CG2-CD1 3.43Å; L37-I41 WeakPolarHBondContact O-CG1 3.47Å; L37-I41 PolarHBondContact O-N 3.49Å; F38-I41 HydrophobicContact CD1-CD1 4.12Å; F38-I41 WeakPolarHBondContact O-CB 3.45Å; F38-I41 PolarHBondContact O-N 3.2Å; F38-I41 VanDerWaalsContact O-N 3.11Å; I41-F43 VanDerWaalsContact C-N 3.34Å; I41-F43 PolarHBondContact O-N 3.39Å; I41-C44 PolarHBondContact O-N 3.39Å; I41-C44 VanDerWaalsContact O-N 3.16Å; I41-G45 PolarHBondContact O-N 3Å; I41-G45 VanDerWaalsContact O-N 3.1Å; I41-A46 HydrophobicContact CG2-CB 3.85Å; I41-A46 VanDerWaalsContact CG2-O 3.29Å; I41-A46 WeakPolarHBondContact CG2-O 3.35Å; I41-A46 PolarHBondContact O-N 3.32Å; I41-L89 HydrophobicContact CD1-CD2 4.1Å; I41-L89 HydrophobicContact CG1-CD1 4Å; I41-L89 HydrophobicContact CG1-CD2 3.67Å; I41-L89 HydrophobicContact CG1-CG 4.49Å
42D85.3Confident86.1Confident86 Ų8649.6 Ų49.646%0.4626%0.262SS..Hα-helixtrans-60.2-40.5176.9-66.8-17.1000112.1F38 G45F38-D42 PolarHBondContact O-N 2.61Å; D42-G45 PolarHBondContact O-N 3.01Å
43F84.3Confident86Confident54 Ų5448.4 Ų48.424%0.23726%0.257CS..Hα-helixtrans-71-32.9175.8-62.8-37.1000113.2S11 K39 I40 I41 G45 F93S11-F43 VanDerWaalsContact CB-CE1 3.46Å; K39-F43 HydrophobicContact CB-CE2 4.2Å; K39-F43 WeakPolarHBondContact O-CD2 3.46Å; K39-F43 WeakPolarHBondContact O-CG 3.31Å; K39-F43 PolarHBondContact O-N 3.31Å; I40-F43 PolarHBondContact O-N 3.3Å; I41-F43 VanDerWaalsContact C-N 3.34Å; I41-F43 PolarHBondContact O-N 3.39Å; F43-G45 PolarHBondContact O-N 2.81Å; F43-F93 HydrophobicContact CB-CD2 4.31Å; F43-F93 HydrophobicContact CB-CE2 3.68Å; F43-F93 HydrophobicContact CB-CZ 4.14Å; F43-F93 HydrophobicContact CD2-CE2 4.37Å; F43-F93 AromaticContact CD2-CZ 3.96Å; F43-F93 HydrophobicContact CD2-CZ 3.96Å; F43-F93 HydrophobicContact CG-CE2 4.39Å; F43-F93 HydrophobicContact CG-CZ 4.4Å
44C84.6Confident85.7Confident0 Ų050.4 Ų50.40%028%0.28CS..Hα-helixtrans-76.1-8.6175.4-66.40000113.5S16 F17 C18 L19 I40 I41 A46S16-C44 WeakPolarHBondContact O-CA 3.39Å; F17-C44 CarbonylContact C-O 3.6Å; F17-C44 VanDerWaalsContact CA-O 3.3Å; F17-C44 WeakPolarHBondContact CA-O 3.3Å; C18-C44 PolarHBondContact N-O 3.4Å; C18-C44 VanDerWaalsContact N-O 3.15Å; L19-C44 HydrophobicContact CB-CB 4.1Å; L19-C44 HydrophobicContact CD1-CB 3.88Å; L19-C44 HydrophobicContact CG-CB 4.11Å; L19-C44 PolarHBondContact N-O 3.05Å; I40-C44 WeakPolarHBondContact O-CB 3.5Å; I40-C44 PolarHBondContact O-N 2.88Å; I40-C44 PolarHBondContact O-SG 2.77Å; I41-C44 PolarHBondContact O-N 3.39Å; I41-C44 VanDerWaalsContact O-N 3.16Å; C44-A46 VanDerWaalsContact C-N 3.32Å
45G82.2Confident85.4Confident17 Ų1748 Ų4818%0.17528%0.281CS..THydrogen-bonded Turntrans80.19-177.100000115.4F17 I41 D42 F43F17-G45 VanDerWaalsContact CE1-CA 3.47Å; I41-G45 PolarHBondContact O-N 3Å; I41-G45 VanDerWaalsContact O-N 3.1Å; D42-G45 PolarHBondContact O-N 3.01Å; F43-G45 PolarHBondContact O-N 2.81Å
46A88.5Confident85.5Confident7 Ų743.7 Ų43.76%0.05826%0.261CS..PPolyproline II helixtrans-84156.9-177.300000111.8L19 C22 I24 I41 C44L19-A46 HydrophobicContact CB-CB 3.97Å; L19-A46 WeakPolarHBondContact O-CA 3.24Å; L19-A46 WeakPolarHBondContact O-CB 3.46Å; C22-A46 HydrophobicContact CB-CB 4.19Å; C22-A46 CarbonylContact O-C 3.44Å; C22-A46 WeakPolarHBondContact O-CA 3.33Å; C22-A46 VanDerWaalsContact O-CB 3.24Å; C22-A46 WeakPolarHBondContact O-CB 3.33Å; I24-A46 HydrophobicContact CD1-CB 3.42Å; I24-A46 VanDerWaalsContact CD1-CB 3.42Å; I24-A46 HydrophobicContact CG1-CB 4.02Å; I41-A46 HydrophobicContact CG2-CB 3.85Å; I41-A46 VanDerWaalsContact CG2-O 3.29Å; I41-A46 WeakPolarHBondContact CG2-O 3.35Å; I41-A46 PolarHBondContact O-N 3.32Å; C44-A46 VanDerWaalsContact C-N 3.32Å
47I86.4Confident85.7Confident74 Ų7442.4 Ų42.438%0.37926%0.26SS..EExtended strand (participates in β ladder)trans-92121.2177.1-59.7176.1000108.9C22 K23 I24C22-I47 PolarHBondContact O-N 2.68Å; K23-I47 CarbonylContact C-O 3.57Å; K23-I47 VanDerWaalsContact CA-O 3.3Å; K23-I47 WeakPolarHBondContact CA-O 3.36Å; K23-I47 HydrophobicContact CB-CB 4.35Å; K23-I47 HydrophobicContact CD-CG2 4.36Å; K23-I47 HydrophobicContact CG-CB 4.32Å; K23-I47 HydrophobicContact CG-CG2 4.26Å; I24-I47 PolarHBondContact N-O 2.73Å
48S88.3Confident85.9Confident44 Ų4442.4 Ų42.431%0.30826%0.26SS..EExtended strand (participates in β ladder)trans-66.9135.4169.646.90000110.9
49A87Confident86Confident5 Ų539.5 Ų39.54%0.04125%0.248CC..EExtended strand (participates in β ladder)trans-115.8138.9175.200000110.6K23 I24 W25 T56K23-A49 HydrophobicContact CD-CB 4.47Å; K23-A49 HydrophobicContact CG-CB 3.85Å; I24-A49 PolarHBondContact O-N 2.79Å; W25-A49 HydrophobicContact CB-CB 4.26Å; A49-T56 HydrophobicContact CB-CG2 4.38Å
50D83.3Confident86.4Confident152 Ų15235.8 Ų35.881%0.81323%0.232SC*.SBendtrans-79.4-18.8178.4-55.3-66.4000113.1W25W25-D50 PolarHBondContact NE1-O 2.74Å
51G83.4Confident86.6Confident26 Ų2635.8 Ų35.827%0.26823%0.232SC..SBendtrans-160.4173.4-175.200000114.9T56G51-T56 PolarHBondContact O-OG1 3.04Å; G51-T56 VanDerWaalsContact O-OG1 3.04Å
52A80.4Confident86.6Confident36 Ų3637.1 Ų37.130%0.29824%0.239SC..  trans-65.5134.9167.300000110.9W25 C76 F78W25-A52 HydrophobicContact CE3-CB 4Å; W25-A52 HydrophobicContact CH2-CB 4.45Å; W25-A52 HydrophobicContact CZ3-CB 3.7Å; A52-C76 HydrophobicContact CB-CB 3.75Å; A52-F78 HydrophobicContact CB-CE1 3.97Å
53S79.1Confident86.5Confident52 Ų5236.1 Ų36.136%0.36423%0.233SC..  trans-155.3164176.974.20000109S55 T56S53-S55 PolarHBondContact O-N 2.92Å; S53-S55 PolarHBondContact OG-N 2.98Å; S53-S55 PolarHBondContact OG-OG 2.73Å; S53-T56 PolarHBondContact N-OG1 2.92Å; S53-T56 VanDerWaalsContact N-OG1 3.09Å; S53-T56 WeakPolarHBondContact O-CB 3.38Å; S53-T56 PolarHBondContact O-N 3.32Å; S53-T56 PolarHBondContact O-OG1 2.89Å; S53-T56 PolarHBondContact OG-N 3.07Å; S53-T56 PolarHBondContact OG-OG1 2.9Å
54A79.3Confident86.3Confident92 Ų9238.5 Ų38.576%0.7625%0.252SS*.THydrogen-bonded Turntrans-57.2-21.217300000113.5
55S82Confident86Confident60 Ų6039.9 Ų39.942%0.4226%0.261SS..THydrogen-bonded Turntrans-88.7-5.3175.4690000114.7K23 S53 T57K23-S55 WeakPolarHBondContact CB-O 3.4Å; K23-S55 WeakPolarHBondContact CD-OG 3.45Å; K23-S55 WeakPolarHBondContact CE-OG 3.48Å; K23-S55 PolarHBondContact NZ-OG 2.74Å; S53-S55 PolarHBondContact O-N 2.92Å; S53-S55 PolarHBondContact OG-N 2.98Å; S53-S55 PolarHBondContact OG-OG 2.73Å; S55-T57 PolarHBondContact O-N 2.8Å
56T88.4Confident85.8Confident7 Ų744.6 Ų44.64%0.04328%0.282CS..  trans-8691.3-171.8-55.80000111W25 A49 G51 S53 H58 C81W25-T56 HydrophobicContact CB-CG2 3.83Å; A49-T56 HydrophobicContact CB-CG2 4.38Å; G51-T56 PolarHBondContact O-OG1 3.04Å; G51-T56 VanDerWaalsContact O-OG1 3.04Å; S53-T56 PolarHBondContact N-OG1 2.92Å; S53-T56 VanDerWaalsContact N-OG1 3.09Å; S53-T56 WeakPolarHBondContact O-CB 3.38Å; S53-T56 PolarHBondContact O-N 3.32Å; S53-T56 PolarHBondContact O-OG1 2.89Å; S53-T56 PolarHBondContact OG-N 3.07Å; S53-T56 PolarHBondContact OG-OG1 2.9Å; T56-H58 VanDerWaalsContact C-N 3.33Å; T56-H58 WeakPolarHBondContact CG2-O 3.13Å; T56-H58 PolarHBondContact O-N 3.17Å; T56-C81 WeakPolarHBondContact O-CB 3.45Å; T56-C81 PolarHBondContact O-SG 3.16Å
57T91Very high85.3Confident39 Ų3951.9 Ų51.924%0.23932%0.315CS..  trans-60.4-34.9-177.864.60000114.4C22 K23 S55 C81 H82C22-T57 WeakPolarHBondContact CA-OG1 3.11Å; K23-T57 PolarHBondContact N-OG1 2.82Å; K23-T57 PolarHBondContact O-N 2.7Å; K23-T57 PolarHBondContact O-OG1 3.26Å; S55-T57 PolarHBondContact O-N 2.8Å; T57-C81 CarbonylContact O-C 3.5Å; T57-C81 WeakPolarHBondContact O-CA 3.49Å; T57-H82 PolarHBondContact O-N 3.27Å
58H93.7Very high84.9Confident0 Ų056.3 Ų56.30%033%0.332CS..EExtended strand (participates in β ladder)trans-138.7143.2-174-65.879.9000111.8C22 K23 I24 W25 T56 C81 H82 W88 E101C22-H58 VanDerWaalsContact SG-CE1 3.51Å; K23-H58 PolarHBondContact O-N 2.84Å; K23-H58 VanDerWaalsContact O-N 3.08Å; I24-H58 WeakPolarHBondContact CA-O 3.47Å; I24-H58 HydrophobicContact CG1-CB 4.18Å; I24-H58 HydrophobicContact CG2-CB 4.39Å; W25-H58 PolarHBondContact N-O 3.5Å; T56-H58 VanDerWaalsContact C-N 3.33Å; T56-H58 WeakPolarHBondContact CG2-O 3.13Å; T56-H58 PolarHBondContact O-N 3.17Å; H58-C81 VanDerWaalsContact C-SG 3.55Å; H58-H82 WeakPolarHBondContact CA-O 3.36Å; H58-W88 HydrophobicContact CB-CZ3 4.32Å; H58-W88 AromaticContact CD2-CH2 3.31Å; H58-W88 WeakPolarHBondContact CD2-CH2 3.43Å; H58-W88 AromaticContact CD2-CZ2 3.62Å; H58-W88 AromaticContact CD2-CZ3 3.67Å; H58-W88 AromaticContact CE1-CH2 3.68Å; H58-W88 AromaticContact CE1-CZ2 3.95Å; H58-W88 AromaticContact CG-CH2 3.69Å; H58-W88 AromaticContact CG-CZ3 3.93Å; H58-W88 AromaticContact ND1-CH2 3.88Å; H58-W88 AromaticContact NE2-CH2 3.34Å; H58-W88 VanDerWaalsContact NE2-CH2 3.34Å; H58-W88 WeakPolarHBondContact NE2-CH2 3.46Å; H58-W88 AromaticContact NE2-CZ2 3.31Å; H58-W88 VanDerWaalsContact NE2-CZ2 3.31Å; H58-W88 WeakPolarHBondContact NE2-CZ2 3.37Å; H58-E101 WeakPolarHBondContact NE2-CG 3.34Å; H58-E101 IonicContact NE2-OE1 2.91Å
59L94.3Very high84.7Confident0 Ų056.4 Ų56.40%033%0.329CS..EExtended strand (participates in β ladder)trans-114.3106.8166.3168.253.6000108W25 L61 L73 F78 C81 H82 I83 V84W25-L59 HydrophobicContact CB-CD1 4.3Å; W25-L59 HydrophobicContact CD2-CD1 4Å; W25-L59 HydrophobicContact CE3-CD1 3.72Å; W25-L59 HydrophobicContact CE3-CD2 4.31Å; W25-L59 HydrophobicContact CE3-CG 4.48Å; W25-L59 HydrophobicContact CG-CD1 4.27Å; W25-L59 HydrophobicContact CZ3-CD1 4.41Å; W25-L59 HydrophobicContact CZ3-CD2 4.43Å; L59-L61 HydrophobicContact CD1-CD1 4.41Å; L59-L61 HydrophobicContact CG-CB 4.33Å; L59-L61 PolarHBondContact O-N 3.47Å; L59-L73 HydrophobicContact CD2-CD2 4.17Å; L59-F78 HydrophobicContact CD2-CD1 4.37Å; L59-F78 HydrophobicContact CD2-CE1 3.59Å; L59-F78 HydrophobicContact CD2-CE2 4.34Å; L59-F78 HydrophobicContact CD2-CZ 3.57Å; L59-C81 PolarHBondContact N-SG 3.03Å; L59-H82 PolarHBondContact N-O 3.48Å; L59-I83 HydrophobicContact CB-CG1 4.37Å; L59-I83 HydrophobicContact CB-CG2 4.46Å; L59-I83 HydrophobicContact CD2-CG1 4.41Å; L59-I83 HydrophobicContact CD2-CG2 4.11Å; L59-I83 HydrophobicContact CG-CG2 4.22Å; L59-V84 PolarHBondContact O-N 3.2Å
60V94.4Very high84.5Confident0 Ų056.7 Ų56.70%033%0.33CS..EExtended strand (participates in β ladder)trans-81.2105.9166.9169.10000107.6I24 W25 V26 Y27 F29 V84 F86 W88 L89I24-V60 HydrophobicContact CG2-CB 4.18Å; I24-V60 HydrophobicContact CG2-CG2 3.6Å; W25-V60 PolarHBondContact O-N 3.41Å; V26-V60 WeakPolarHBondContact CA-O 3.18Å; V26-V60 HydrophobicContact CG2-CB 4.35Å; Y27-V60 PolarHBondContact N-O 3.2Å; F29-V60 HydrophobicContact CE2-CG1 4Å; F29-V60 HydrophobicContact CZ-CG1 4.19Å; V60-V84 WeakPolarHBondContact CA-O 3.23Å; V60-V84 HydrophobicContact CG2-CG2 4.03Å; V60-F86 HydrophobicContact CG1-CB 4Å; V60-W88 HydrophobicContact CG2-CE3 4.32Å; V60-L89 HydrophobicContact CG2-CB 4.28Å; V60-L89 HydrophobicContact CG2-CD2 4.4Å
61L92.2Very high84.4Confident0 Ų052.2 Ų52.20%031%0.31CS..EExtended strand (participates in β ladder)trans-104.4143.9-177.8-162.859.2000110Y27 L59 V65 L73 I83 V84 L108 L112Y27-L61 HydrophobicContact CD1-CD1 3.8Å; Y27-L61 HydrophobicContact CG-CD1 4.47Å; L59-L61 HydrophobicContact CD1-CD1 4.41Å; L59-L61 HydrophobicContact CG-CB 4.33Å; L59-L61 PolarHBondContact O-N 3.47Å; L61-V65 HydrophobicContact CD1-CG2 3.85Å; L61-V65 HydrophobicContact CD2-CG2 4.08Å; L61-V65 HydrophobicContact CG-CG2 3.71Å; L61-L73 HydrophobicContact CD1-CD1 3.89Å; L61-L73 HydrophobicContact CD2-CD1 4.35Å; L61-I83 HydrophobicContact CD2-CG2 4.24Å; L61-V84 PolarHBondContact N-O 2.8Å; L61-L108 HydrophobicContact CD2-CD1 4.27Å; L61-L112 HydrophobicContact CD2-CD1 4.37Å
62N90.6Very high84.4Confident29 Ų2955.3 Ų55.316%0.15532%0.32CS..  trans-68.3147.8171.5-170.814.9000110.6Y27 G28 F29 T64 V65 H106Y27-N62 PolarHBondContact O-N 2.93Å; Y27-N62 VanDerWaalsContact O-N 3.12Å; G28-N62 VanDerWaalsContact O-CB 3.31Å; G28-N62 WeakPolarHBondContact O-CB 3.37Å; G28-N62 PolarHBondContact O-ND2 2.68Å; F29-N62 HydrophobicContact CD1-CB 3.93Å; F29-N62 HydrophobicContact CD2-CB 4.17Å; F29-N62 HydrophobicContact CE1-CB 3.64Å; F29-N62 HydrophobicContact CE2-CB 3.9Å; F29-N62 VanDerWaalsContact CE2-N 3.34Å; F29-N62 HydrophobicContact CG-CB 4.18Å; F29-N62 HydrophobicContact CZ-CB 3.62Å; F29-N62 VanDerWaalsContact CZ-N 3.32Å; N62-T64 PolarHBondContact ND2-O 3.04Å; N62-T64 PolarHBondContact ND2-OG1 3.28Å; N62-T64 PolarHBondContact O-N 3.08Å; N62-V65 VanDerWaalsContact O-CG2 3.28Å; N62-V65 WeakPolarHBondContact O-CG2 3.14Å; N62-H106 PolarHBondContact O-NE2 3.24Å
63D83.7Confident84.7Confident64 Ų6453.6 Ų53.634%0.34231%0.306SS..SBendtrans-62.3-28.8178.7-64.1-12.4000111.4T85 R87D63-T85 WeakPolarHBondContact OD1-CG2 3.28Å; D63-R87 IonicContact OD1-NH1 2.68Å; D63-R87 PolarHBondContact OD1-NH1 2.95Å; D63-R87 IonicContact OD2-CZ 3.9Å; D63-R87 IonicContact OD2-NH1 3.02Å; D63-R87 PolarHBondContact OD2-NH1 3.04Å; D63-R87 IonicContact OD2-NH2 2.77Å; D63-R87 PolarHBondContact OD2-NH2 2.9Å
64T79.6Confident85Confident104 Ų10455.5 Ų55.564%0.63831%0.307SS*.  trans-106.3123.2172.452.20000110.7N62N62-T64 PolarHBondContact ND2-O 3.04Å; N62-T64 PolarHBondContact ND2-OG1 3.28Å; N62-T64 PolarHBondContact O-N 3.08Å
65V77.8Confident85.1Confident30 Ų3059.8 Ų59.818%0.18231%0.309CS..  trans-138.9125.4178.1-174.10000109.1L61 N62 D69 V70 L73 L108L61-V65 HydrophobicContact CD1-CG2 3.85Å; L61-V65 HydrophobicContact CD2-CG2 4.08Å; L61-V65 HydrophobicContact CG-CG2 3.71Å; N62-V65 VanDerWaalsContact O-CG2 3.28Å; N62-V65 WeakPolarHBondContact O-CG2 3.14Å; V65-D69 HydrophobicContact CG1-CB 3.53Å; V65-V70 HydrophobicContact CB-CG2 4.21Å; V65-V70 HydrophobicContact CG1-CG2 3.77Å; V65-L73 HydrophobicContact CG1-CD1 4.24Å; V65-L108 HydrophobicContact CB-CD1 4.26Å; V65-L108 HydrophobicContact CG2-CD1 4.4Å
66D79.4Confident85.1Confident116 Ų11658.4 Ų58.462%0.6230%0.299SS*.  trans-64.6149.5178.7-75.4-6.3000111.8K68 D69 V70D66-K68 PolarHBondContact O-N 3.36Å; D66-D69 WeakPolarHBondContact O-CA 3.35Å; D66-D69 WeakPolarHBondContact O-CB 3.44Å; D66-D69 PolarHBondContact O-N 3.08Å; D66-V70 WeakPolarHBondContact O-CG2 3.38Å; D66-V70 PolarHBondContact O-N 2.76Å
67E77.6Confident84.9Confident159 Ų15961.3 Ų61.374%0.74331%0.314SS*.Hα-helixtrans-59.7-25.1178.8-66.3-150.9115.300113.8S71E67-S71 WeakPolarHBondContact O-CB 3.3Å; E67-S71 PolarHBondContact O-N 3.01Å; E67-S71 PolarHBondContact O-OG 3.18Å
68K78.4Confident84.5Confident168 Ų16859.6 Ų59.673%0.7330%0.303SS*.Hα-helixtrans-65.5-47173.6-65.9174.8-178.7173.60110.6D66 S71 I72D66-K68 PolarHBondContact O-N 3.36Å; K68-S71 WeakPolarHBondContact O-CB 2.93Å; K68-S71 PolarHBondContact O-N 2.78Å; K68-S71 VanDerWaalsContact O-N 3.17Å; K68-I72 PolarHBondContact O-N 3.07Å; K68-I72 VanDerWaalsContact O-N 3.08Å
69D82.7Confident83.7Confident46 Ų4661.8 Ų61.825%0.24632%0.317CS..Hα-helixtrans-66.6-42.4175.8-8215.5000111.4Y27 V65 D66 S71 I72 L73Y27-D69 HydrophobicContact CE1-CB 3.96Å; V65-D69 HydrophobicContact CG1-CB 3.53Å; D66-D69 WeakPolarHBondContact O-CA 3.35Å; D66-D69 WeakPolarHBondContact O-CB 3.44Å; D66-D69 PolarHBondContact O-N 3.08Å; D69-S71 PolarHBondContact O-N 2.88Å; D69-I72 PolarHBondContact O-N 3.07Å; D69-I72 VanDerWaalsContact O-N 3.09Å; D69-L73 VanDerWaalsContact O-CG 3.3Å; D69-L73 WeakPolarHBondContact O-CG 3.39Å; D69-L73 PolarHBondContact O-N 2.89Å
70V83.6Confident83Confident11 Ų1168.7 Ų68.77%0.06735%0.354CS..Hα-helixtrans-58.1-34.9171.9-179.20000111.4V65 D66 L73 K74 L108V65-V70 HydrophobicContact CB-CG2 4.21Å; V65-V70 HydrophobicContact CG1-CG2 3.77Å; D66-V70 WeakPolarHBondContact O-CG2 3.38Å; D66-V70 PolarHBondContact O-N 2.76Å; V70-L73 PolarHBondContact O-N 3.29Å; V70-K74 VanDerWaalsContact O-CG 3.32Å; V70-K74 WeakPolarHBondContact O-CG 3.39Å; V70-K74 PolarHBondContact O-N 3.09Å; V70-L108 HydrophobicContact CG2-CD1 3.7Å
71S82Confident82.7Confident57 Ų5768.9 Ų68.940%0.39936%0.355SS..Hα-helixtrans-77-22.3178.7-59.70000113.9E67 K68 D69E67-S71 WeakPolarHBondContact O-CB 3.3Å; E67-S71 PolarHBondContact O-N 3.01Å; E67-S71 PolarHBondContact O-OG 3.18Å; K68-S71 WeakPolarHBondContact O-CB 2.93Å; K68-S71 PolarHBondContact O-N 2.78Å; K68-S71 VanDerWaalsContact O-N 3.17Å; D69-S71 PolarHBondContact O-N 2.88Å
72I83.1Confident82.7Confident92 Ų9272.7 Ų72.747%0.47237%0.373SS..Hα-helixtrans-74.4-51.4166.3-64.6166.1000109.3K68 D69 K74 K75K68-I72 PolarHBondContact O-N 3.07Å; K68-I72 VanDerWaalsContact O-N 3.08Å; D69-I72 PolarHBondContact O-N 3.07Å; D69-I72 VanDerWaalsContact O-N 3.09Å; I72-K74 VanDerWaalsContact C-N 3.28Å; I72-K74 PolarHBondContact O-N 3.2Å; I72-K75 WeakPolarHBondContact O-CB 3.37Å; I72-K75 PolarHBondContact O-N 3.46Å
73L85.7Confident82.8Confident0 Ų071.4 Ų71.40%037%0.366CS..Hα-helixtrans-58.7-35.8-177.9-68.1167.3000112.6W25 Y27 L59 L61 V65 D69 V70 K75 C76 F78 L112W25-L73 HydrophobicContact CH2-CD2 3.72Å; W25-L73 HydrophobicContact CZ3-CD2 3.74Å; Y27-L73 HydrophobicContact CD1-CD1 3.94Å; Y27-L73 HydrophobicContact CD1-CD2 3.95Å; Y27-L73 HydrophobicContact CD1-CG 4.25Å; Y27-L73 HydrophobicContact CE1-CD1 3.84Å; Y27-L73 HydrophobicContact CE1-CD2 3.95Å; Y27-L73 HydrophobicContact CE1-CG 3.91Å; Y27-L73 HydrophobicContact CG-CD2 4.44Å; L59-L73 HydrophobicContact CD2-CD2 4.17Å; L61-L73 HydrophobicContact CD1-CD1 3.89Å; L61-L73 HydrophobicContact CD2-CD1 4.35Å; V65-L73 HydrophobicContact CG1-CD1 4.24Å; D69-L73 VanDerWaalsContact O-CG 3.3Å; D69-L73 WeakPolarHBondContact O-CG 3.39Å; D69-L73 PolarHBondContact O-N 2.89Å; V70-L73 PolarHBondContact O-N 3.29Å; L73-K75 PolarHBondContact O-N 3.09Å; L73-C76 WeakPolarHBondContact O-CB 3.17Å; L73-C76 PolarHBondContact O-N 2.93Å; L73-F78 HydrophobicContact CB-CE2 4.21Å; L73-F78 HydrophobicContact CB-CZ 4.46Å; L73-F78 HydrophobicContact CD2-CE2 4.41Å; L73-F78 HydrophobicContact CD2-CZ 3.84Å; L73-F78 WeakPolarHBondContact O-CE2 3.48Å; L73-L112 HydrophobicContact CB-CD1 4.21Å; L73-L112 HydrophobicContact CB-CD2 3.67Å; L73-L112 HydrophobicContact CD1-CD1 4.37Å
74K85.4Confident83.3Confident91 Ų9168.4 Ų68.440%0.39635%0.35SS..THydrogen-bonded Turntrans-55.2-21.4172.9-82174.5-174169.50114.7V70 I72 L112 A115V70-K74 VanDerWaalsContact O-CG 3.32Å; V70-K74 WeakPolarHBondContact O-CG 3.39Å; V70-K74 PolarHBondContact O-N 3.09Å; I72-K74 VanDerWaalsContact C-N 3.28Å; I72-K74 PolarHBondContact O-N 3.2Å; K74-L112 HydrophobicContact CG-CD2 4.24Å; K74-A115 HydrophobicContact CB-CB 4.36Å; K74-A115 HydrophobicContact CG-CB 4.09Å
75K81.4Confident84Confident182 Ų18264.1 Ų64.179%0.79132%0.323SS*.THydrogen-bonded Turntrans-91.2-7.7179.5-57.2-172.6179.2-1690113.2I72 L73I72-K75 WeakPolarHBondContact O-CB 3.37Å; I72-K75 PolarHBondContact O-N 3.46Å; L73-K75 PolarHBondContact O-N 3.09Å
76C82.5Confident84.7Confident31 Ų3164.3 Ų64.321%0.20932%0.322CS..SBendtrans-87.8148.1177.5-61.80000111.2A52 L73 F78A52-C76 HydrophobicContact CB-CB 3.75Å; L73-C76 WeakPolarHBondContact O-CB 3.17Å; L73-C76 PolarHBondContact O-N 2.93Å; C76-F78 HydrophobicContact CB-CD2 4.34Å; C76-F78 HydrophobicContact CB-CE1 4.01Å; C76-F78 HydrophobicContact CB-CE2 3.73Å; C76-F78 HydrophobicContact CB-CZ 3.52Å
77D83.2Confident85.3Confident69 Ų6963.8 Ų63.837%0.36931%0.311SS..  trans-79.2128.2168.5-160.3-44.5000110.1T79 S116 Q120D77-T79 WeakPolarHBondContact OD1-CB 3.46Å; D77-T79 PolarHBondContact OD1-N 3.38Å; D77-T79 PolarHBondContact OD1-OG1 2.77Å; D77-S116 PolarHBondContact OD1-OG 3.25Å; D77-Q120 PolarHBondContact OD2-NE2 2.87Å
78F83.3Confident86.1Confident2 Ų256.2 Ų56.21%0.00928%0.276CS..  trans-130.918.3176.8-62.1-57.7000113.2W25 A52 L59 L73 C76 N80 C81 I83 L112 K113 S116W25-F78 HydrophobicContact CE3-CE1 4.25Å; W25-F78 AromaticContact CZ3-CE1 3.96Å; W25-F78 HydrophobicContact CZ3-CE1 3.96Å; W25-F78 AromaticContact CZ3-CZ 3.93Å; W25-F78 HydrophobicContact CZ3-CZ 3.93Å; A52-F78 HydrophobicContact CB-CE1 3.97Å; L59-F78 HydrophobicContact CD2-CD1 4.37Å; L59-F78 HydrophobicContact CD2-CE1 3.59Å; L59-F78 HydrophobicContact CD2-CE2 4.34Å; L59-F78 HydrophobicContact CD2-CZ 3.57Å; L73-F78 HydrophobicContact CB-CE2 4.21Å; L73-F78 HydrophobicContact CB-CZ 4.46Å; L73-F78 HydrophobicContact CD2-CE2 4.41Å; L73-F78 HydrophobicContact CD2-CZ 3.84Å; L73-F78 WeakPolarHBondContact O-CE2 3.48Å; C76-F78 HydrophobicContact CB-CD2 4.34Å; C76-F78 HydrophobicContact CB-CE1 4.01Å; C76-F78 HydrophobicContact CB-CE2 3.73Å; C76-F78 HydrophobicContact CB-CZ 3.52Å; F78-N80 PolarHBondContact O-N 3.43Å; F78-C81 HydrophobicContact CB-CB 4.14Å; F78-C81 HydrophobicContact CD1-CB 4.07Å; F78-C81 PolarHBondContact O-N 3.39Å; F78-I83 HydrophobicContact CB-CD1 3.92Å; F78-I83 HydrophobicContact CB-CG1 4.46Å; F78-I83 HydrophobicContact CD1-CD1 4.5Å; F78-I83 HydrophobicContact CD2-CD1 3.96Å; F78-I83 HydrophobicContact CG-CD1 3.91Å; F78-I83 HydrophobicContact CG-CG1 4.47Å; F78-L112 HydrophobicContact CD2-CB 4.02Å; F78-L112 HydrophobicContact CE2-CB 4.32Å; F78-L112 HydrophobicContact CE2-CD1 4.25Å; F78-L112 HydrophobicContact CE2-CD2 4.45Å; F78-K113 PolarHBondContact O-NZ 2.92Å; F78-S116 PolarHBondContact N-OG 2.91Å; F78-S116 VanDerWaalsContact N-OG 3.08Å
79T76.1Confident86.8Confident46 Ų4648.2 Ų48.228%0.28224%0.241SC..THydrogen-bonded Turntrans-52.7-57.9-178.944.80000112.2D77 C81 K113 Q120D77-T79 WeakPolarHBondContact OD1-CB 3.46Å; D77-T79 PolarHBondContact OD1-N 3.38Å; D77-T79 PolarHBondContact OD1-OG1 2.77Å; T79-C81 VanDerWaalsContact C-N 3.32Å; T79-C81 PolarHBondContact O-N 3.1Å; T79-K113 PolarHBondContact O-NZ 3.43Å; T79-Q120 VanDerWaalsContact CG2-NE2 3.26Å
80N80.9Confident87.2Confident145 Ų14546.4 Ų46.478%0.77523%0.232SC*.THydrogen-bonded Turntrans-9016.9179.1-64.2-20.5000114F78F78-N80 PolarHBondContact O-N 3.43Å
81C88Confident87.5Confident5 Ų548.6 Ų48.63%0.03424%0.243CC..  trans-109.2135.8-177-169.70000112.3T56 T57 H58 L59 F78 T79 K113T56-C81 WeakPolarHBondContact O-CB 3.45Å; T56-C81 PolarHBondContact O-SG 3.16Å; T57-C81 CarbonylContact O-C 3.5Å; T57-C81 WeakPolarHBondContact O-CA 3.49Å; H58-C81 VanDerWaalsContact C-SG 3.55Å; L59-C81 PolarHBondContact N-SG 3.03Å; F78-C81 HydrophobicContact CB-CB 4.14Å; F78-C81 HydrophobicContact CD1-CB 4.07Å; F78-C81 PolarHBondContact O-N 3.39Å; T79-C81 VanDerWaalsContact C-N 3.32Å; T79-C81 PolarHBondContact O-N 3.1Å; C81-K113 WeakPolarHBondContact O-CE 3.5Å; C81-K113 PolarHBondContact O-NZ 3.11Å
82H91.8Very high87.9Confident79 Ų7945.9 Ų45.937%0.36622%0.224SC..EExtended strand (participates in β ladder)trans-89.7109.6173.6-70-107000110.6T57 H58 L59 E101T57-H82 PolarHBondContact O-N 3.27Å; H58-H82 WeakPolarHBondContact CA-O 3.36Å; L59-H82 PolarHBondContact N-O 3.48Å; H82-E101 HydrophobicContact CB-CB 4.27Å; H82-E101 HydrophobicContact CB-CG 4.07Å; H82-E101 WeakPolarHBondContact ND1-CB 3.5Å
83I93Very high88.1Confident2 Ų241.5 Ų41.51%0.0120%0.202CC..EExtended strand (participates in β ladder)trans-90.2109-179.9-49.6175.5000109.1L59 L61 F78 A105 H106 L112 K113L59-I83 HydrophobicContact CB-CG1 4.37Å; L59-I83 HydrophobicContact CB-CG2 4.46Å; L59-I83 HydrophobicContact CD2-CG1 4.41Å; L59-I83 HydrophobicContact CD2-CG2 4.11Å; L59-I83 HydrophobicContact CG-CG2 4.22Å; L61-I83 HydrophobicContact CD2-CG2 4.24Å; F78-I83 HydrophobicContact CB-CD1 3.92Å; F78-I83 HydrophobicContact CB-CG1 4.46Å; F78-I83 HydrophobicContact CD1-CD1 4.5Å; F78-I83 HydrophobicContact CD2-CD1 3.96Å; F78-I83 HydrophobicContact CG-CD1 3.91Å; F78-I83 HydrophobicContact CG-CG1 4.47Å; I83-A105 WeakPolarHBondContact O-CA 3.29Å; I83-H106 HydrophobicContact CG2-CB 4.01Å; I83-H106 PolarHBondContact O-N 2.91Å; I83-L112 HydrophobicContact CD1-CB 3.71Å; I83-L112 HydrophobicContact CD1-CD1 4.02Å; I83-K113 HydrophobicContact CD1-CG 4.42Å
84V94.6Very high88.1Confident1 Ų147.1 Ų47.11%0.00623%0.226CC..EExtended strand (participates in β ladder)trans-130.6155.9-168.9-66.80000112.2L59 V60 L61 W88 E101 F104L59-V84 PolarHBondContact O-N 3.2Å; V60-V84 WeakPolarHBondContact CA-O 3.23Å; V60-V84 HydrophobicContact CG2-CG2 4.03Å; L61-V84 PolarHBondContact N-O 2.8Å; V84-W88 HydrophobicContact CB-CB 3.99Å; V84-W88 HydrophobicContact CB-CG 4.31Å; V84-W88 HydrophobicContact CG1-CB 4.49Å; V84-W88 HydrophobicContact CG1-CG 4.39Å; V84-W88 HydrophobicContact CG2-CB 4.05Å; V84-W88 HydrophobicContact CG2-CD2 4.07Å; V84-W88 HydrophobicContact CG2-CE3 3.8Å; V84-W88 HydrophobicContact CG2-CG 4.19Å; V84-E101 HydrophobicContact CG1-CB 3.99Å; V84-F104 WeakPolarHBondContact CA-O 3.35Å
85T93.7Very high88.1Confident14 Ų1445.4 Ų45.49%0.08623%0.229CC..EExtended strand (participates in β ladder)trans-71.8158.1168.961.80000111D63 R87 W88 F104D63-T85 WeakPolarHBondContact OD1-CG2 3.28Å; T85-R87 PolarHBondContact O-N 2.91Å; T85-W88 WeakPolarHBondContact O-CB 3.21Å; T85-W88 PolarHBondContact O-N 3.04Å; T85-F104 PolarHBondContact N-O 2.78Å; T85-F104 PolarHBondContact OG1-O 3.48Å
86F92.5Very high88.3Confident34 Ų3439 Ų3915%0.14921%0.207CC..Hα-helixtrans-57.4-20.9173.274.9-84.9000114.2M1 F29 L37 V60 W88 L89 V90M1-F86 HydrophobicContact CG-CD2 4.1Å; M1-F86 HydrophobicContact CG-CE2 3.95Å; M1-F86 HydrophobicContact SD-CD2 3.97Å; M1-F86 HydrophobicContact SD-CE2 4.37Å; F29-F86 HydrophobicContact CE1-CB 4.11Å; F29-F86 HydrophobicContact CE1-CD1 4.15Å; F29-F86 HydrophobicContact CE1-CG 4.3Å; F29-F86 HydrophobicContact CZ-CB 3.8Å; F29-F86 HydrophobicContact CZ-CD1 4.33Å; F29-F86 HydrophobicContact CZ-CG 4.41Å; L37-F86 HydrophobicContact CD2-CB 4.04Å; V60-F86 HydrophobicContact CG1-CB 4Å; F86-W88 PolarHBondContact O-N 2.72Å; F86-L89 PolarHBondContact O-N 2.82Å; F86-V90 HydrophobicContact CD2-CG2 4.03Å; F86-V90 WeakPolarHBondContact O-CG2 3.48Å; F86-V90 PolarHBondContact O-N 3.34Å; F86-V90 VanDerWaalsContact O-N 3.08Å
87R92.2Very high88.5Confident106 Ų10639.7 Ų39.740%0.422%0.215SC..Hα-helixtrans-60.6-31.5176-64.9179.9-170.369.64.3111.8D63 T85 N91 F104D63-R87 IonicContact OD1-NH1 2.68Å; D63-R87 PolarHBondContact OD1-NH1 2.95Å; D63-R87 IonicContact OD2-CZ 3.9Å; D63-R87 IonicContact OD2-NH1 3.02Å; D63-R87 PolarHBondContact OD2-NH1 3.04Å; D63-R87 IonicContact OD2-NH2 2.77Å; D63-R87 PolarHBondContact OD2-NH2 2.9Å; T85-R87 PolarHBondContact O-N 2.91Å; R87-N91 WeakPolarHBondContact O-CB 3.12Å; R87-N91 PolarHBondContact O-N 2.7Å; R87-F104 HydrophobicContact CB-CD1 3.92Å; R87-F104 HydrophobicContact CB-CE1 4.24Å
88W94.4Very high88.9Confident0 Ų040.9 Ų40.90%021%0.214CC..Hα-helixtrans-58.3-52.1174.7176.371.7000112.1L19 I24 H58 V60 V84 T85 F86 N91 S92 R98 L99 E101 F104L19-W88 HydrophobicContact CD1-CH2 3.74Å; L19-W88 HydrophobicContact CD1-CZ2 4.35Å; L19-W88 HydrophobicContact CD1-CZ3 3.96Å; L19-W88 HydrophobicContact CD2-CH2 3.64Å; L19-W88 HydrophobicContact CD2-CZ2 3.6Å; L19-W88 HydrophobicContact CG-CH2 4.31Å; I24-W88 HydrophobicContact CD1-CH2 4.34Å; I24-W88 HydrophobicContact CD1-CZ3 3.91Å; H58-W88 HydrophobicContact CB-CZ3 4.32Å; H58-W88 AromaticContact CD2-CH2 3.31Å; H58-W88 WeakPolarHBondContact CD2-CH2 3.43Å; H58-W88 AromaticContact CD2-CZ2 3.62Å; H58-W88 AromaticContact CD2-CZ3 3.67Å; H58-W88 AromaticContact CE1-CH2 3.68Å; H58-W88 AromaticContact CE1-CZ2 3.95Å; H58-W88 AromaticContact CG-CH2 3.69Å; H58-W88 AromaticContact CG-CZ3 3.93Å; H58-W88 AromaticContact ND1-CH2 3.88Å; H58-W88 AromaticContact NE2-CH2 3.34Å; H58-W88 VanDerWaalsContact NE2-CH2 3.34Å; H58-W88 WeakPolarHBondContact NE2-CH2 3.46Å; H58-W88 AromaticContact NE2-CZ2 3.31Å; H58-W88 VanDerWaalsContact NE2-CZ2 3.31Å; H58-W88 WeakPolarHBondContact NE2-CZ2 3.37Å; V60-W88 HydrophobicContact CG2-CE3 4.32Å; V84-W88 HydrophobicContact CB-CB 3.99Å; V84-W88 HydrophobicContact CB-CG 4.31Å; V84-W88 HydrophobicContact CG1-CB 4.49Å; V84-W88 HydrophobicContact CG1-CG 4.39Å; V84-W88 HydrophobicContact CG2-CB 4.05Å; V84-W88 HydrophobicContact CG2-CD2 4.07Å; V84-W88 HydrophobicContact CG2-CE3 3.8Å; V84-W88 HydrophobicContact CG2-CG 4.19Å; T85-W88 WeakPolarHBondContact O-CB 3.21Å; T85-W88 PolarHBondContact O-N 3.04Å; F86-W88 PolarHBondContact O-N 2.72Å; W88-N91 PolarHBondContact O-N 3.2Å; W88-S92 VanDerWaalsContact O-CB 3.29Å; W88-S92 WeakPolarHBondContact O-CB 3.4Å; W88-S92 PolarHBondContact O-N 2.96Å; W88-S92 PolarHBondContact O-OG 2.93Å; W88-R98 HydrophobicContact CZ2-CG 4.29Å; W88-L99 PolarHBondContact NE1-O 2.85Å; W88-E101 HydrophobicContact CZ2-CG 4.29Å; W88-F104 HydrophobicContact CB-CB 3.61Å; W88-F104 HydrophobicContact CB-CD1 4.45Å; W88-F104 HydrophobicContact CB-CD2 4.27Å; W88-F104 HydrophobicContact CB-CG 3.87Å; W88-F104 AromaticContact CD1-CD2 3.82Å; W88-F104 HydrophobicContact CG-CB 4.32Å; W88-F104 HydrophobicContact CG-CD2 4.47Å
89L92.8Very high89.3Confident0 Ų043.2 Ų43.20%023%0.226CC..Hα-helixtrans-66.2-47.9-178174.563.6000111.1L19 I24 L37 I40 I41 V60 F86 N91 S92 F93L19-L89 HydrophobicContact CD1-CD1 3.8Å; I24-L89 HydrophobicContact CD1-CD1 4.24Å; L37-L89 HydrophobicContact CB-CD2 4.49Å; L37-L89 HydrophobicContact CD2-CD2 4.04Å; I40-L89 HydrophobicContact CB-CD2 4.45Å; I40-L89 HydrophobicContact CB-CG 4.36Å; I40-L89 HydrophobicContact CG2-CD1 3.85Å; I40-L89 HydrophobicContact CG2-CD2 4.33Å; I40-L89 HydrophobicContact CG2-CG 3.72Å; I41-L89 HydrophobicContact CD1-CD2 4.1Å; I41-L89 HydrophobicContact CG1-CD1 4Å; I41-L89 HydrophobicContact CG1-CD2 3.67Å; I41-L89 HydrophobicContact CG1-CG 4.49Å; V60-L89 HydrophobicContact CG2-CB 4.28Å; V60-L89 HydrophobicContact CG2-CD2 4.4Å; F86-L89 PolarHBondContact O-N 2.82Å; L89-N91 VanDerWaalsContact C-N 3.34Å; L89-N91 PolarHBondContact O-N 3.25Å; L89-S92 PolarHBondContact O-N 3.29Å; L89-F93 WeakPolarHBondContact O-CB 3.4Å; L89-F93 PolarHBondContact O-N 3.23Å
90V90.3Very high90Very high8 Ų844.1 Ų44.15%0.04824%0.239CC..Hα-helixtrans-62-40.6177.9174.40000111.7M1 P2 I40 F86 K94M1-V90 HydrophobicContact SD-CG2 3.58Å; M1-V90 VanDerWaalsContact SD-CG2 3.58Å; P2-V90 HydrophobicContact CG-CG1 4.37Å; I40-V90 HydrophobicContact CD1-CG2 3.98Å; F86-V90 HydrophobicContact CD2-CG2 4.03Å; F86-V90 WeakPolarHBondContact O-CG2 3.48Å; F86-V90 PolarHBondContact O-N 3.34Å; F86-V90 VanDerWaalsContact O-N 3.08Å; V90-K94 HydrophobicContact CG1-CD 4.36Å; V90-K94 WeakPolarHBondContact O-CG 3.39Å; V90-K94 PolarHBondContact O-N 2.95Å
91N90.3Very high90.5Very high57 Ų5738.4 Ų38.431%0.30521%0.207SC..Hα-helixtrans-79.9-31-178.1-68-4.4000112.4R87 W88 L89 K94 A95 L99 F104R87-N91 WeakPolarHBondContact O-CB 3.12Å; R87-N91 PolarHBondContact O-N 2.7Å; W88-N91 PolarHBondContact O-N 3.2Å; L89-N91 VanDerWaalsContact C-N 3.34Å; L89-N91 PolarHBondContact O-N 3.25Å; N91-K94 PolarHBondContact O-N 3.39Å; N91-A95 VanDerWaalsContact O-CB 3.24Å; N91-A95 WeakPolarHBondContact O-CB 3.38Å; N91-A95 PolarHBondContact O-N 2.89Å; N91-L99 HydrophobicContact CB-CD1 3.5Å; N91-L99 VanDerWaalsContact CB-CD1 3.5Å; N91-F104 HydrophobicContact CB-CE1 4.38Å; N91-F104 HydrophobicContact CB-CZ 4.25Å; N91-F104 WeakPolarHBondContact ND2-CE1 3.39Å
92S91Very high90.6Very high0 Ų043.2 Ų43.20%024%0.238CC..Hα-helixtrans-64.8-41.5171.7-59.70000111.3W88 L89 A95 S96 A97 L99W88-S92 VanDerWaalsContact O-CB 3.29Å; W88-S92 WeakPolarHBondContact O-CB 3.4Å; W88-S92 PolarHBondContact O-N 2.96Å; W88-S92 PolarHBondContact O-OG 2.93Å; L89-S92 PolarHBondContact O-N 3.29Å; S92-A95 PolarHBondContact O-N 2.96Å; S92-S96 WeakPolarHBondContact O-CA 3.49Å; S92-S96 PolarHBondContact O-N 3.39Å; S92-A97 WeakPolarHBondContact CA-O 3.45Å; S92-A97 VanDerWaalsContact CB-O 3.3Å; S92-A97 WeakPolarHBondContact CB-O 3.48Å; S92-A97 PolarHBondContact O-N 3.25Å; S92-A97 VanDerWaalsContact O-N 3.11Å; S92-L99 PolarHBondContact OG-N 3.33Å; S92-L99 VanDerWaalsContact OG-N 3.17Å
93F88Confident90.5Very high0 Ų043.3 Ų43.30%025%0.253CS..Hα-helixtrans-59.7-49.3170.8-178.1-130.9000112.1L7 M10 L14 I40 F43 L89 A95 S96L7-F93 HydrophobicContact CD2-CE1 4.01Å; M10-F93 HydrophobicContact CB-CE1 3.7Å; M10-F93 HydrophobicContact CB-CZ 3.81Å; M10-F93 HydrophobicContact CE-CD1 3.6Å; M10-F93 HydrophobicContact CE-CE1 3.54Å; M10-F93 HydrophobicContact CE-CZ 4.45Å; M10-F93 HydrophobicContact SD-CE1 4.16Å; L14-F93 HydrophobicContact CB-CE2 4.44Å; I40-F93 HydrophobicContact CG1-CD1 4.43Å; I40-F93 HydrophobicContact CG2-CB 3.74Å; I40-F93 HydrophobicContact CG2-CD1 4.03Å; I40-F93 HydrophobicContact CG2-CG 3.9Å; F43-F93 HydrophobicContact CB-CD2 4.31Å; F43-F93 HydrophobicContact CB-CE2 3.68Å; F43-F93 HydrophobicContact CB-CZ 4.14Å; F43-F93 HydrophobicContact CD2-CE2 4.37Å; F43-F93 AromaticContact CD2-CZ 3.96Å; F43-F93 HydrophobicContact CD2-CZ 3.96Å; F43-F93 HydrophobicContact CG-CE2 4.39Å; F43-F93 HydrophobicContact CG-CZ 4.4Å; L89-F93 WeakPolarHBondContact O-CB 3.4Å; L89-F93 PolarHBondContact O-N 3.23Å; F93-A95 VanDerWaalsContact C-N 3.33Å; F93-A95 PolarHBondContact O-N 2.94Å; F93-S96 PolarHBondContact O-N 3.01Å; F93-S96 VanDerWaalsContact O-N 3.09Å
94K85.6Confident90.5Very high118 Ų11845 Ų4551%0.51326%0.261SS..Hα-helixtrans-60.9-37.8176.8-78.1-178.8172.6-161.80113.5M10 V90 N91 S96M10-K94 HydrophobicContact CE-CB 4.49Å; M10-K94 HydrophobicContact CE-CG 3.48Å; M10-K94 VanDerWaalsContact CE-CG 3.48Å; V90-K94 HydrophobicContact CG1-CD 4.36Å; V90-K94 WeakPolarHBondContact O-CG 3.39Å; V90-K94 PolarHBondContact O-N 2.95Å; N91-K94 PolarHBondContact O-N 3.39Å; K94-S96 VanDerWaalsContact C-N 3.29Å
95A85.5Confident90.3Very high54 Ų5447.3 Ų47.345%0.44628%0.279SS..Hα-helixtrans-80.3-9.8177.400000113.1N91 S92 F93 A97 L99N91-A95 VanDerWaalsContact O-CB 3.24Å; N91-A95 WeakPolarHBondContact O-CB 3.38Å; N91-A95 PolarHBondContact O-N 2.89Å; S92-A95 PolarHBondContact O-N 2.96Å; F93-A95 VanDerWaalsContact C-N 3.33Å; F93-A95 PolarHBondContact O-N 2.94Å; A95-A97 PolarHBondContact O-N 3.27Å; A95-L99 HydrophobicContact CB-CD2 4.01Å; A95-L99 HydrophobicContact CB-CG 4.41Å
96S84.7Confident90.3Very high47 Ų4747 Ų4733%0.32928%0.277SS..THydrogen-bonded Turntrans53.825.8-169.7-69.20000114.3L14 S16 S92 F93 K94L14-S96 WeakPolarHBondContact CD2-OG 3.46Å; S16-S96 VanDerWaalsContact CB-CB 3.44Å; S16-S96 WeakPolarHBondContact CB-OG 3.26Å; S16-S96 WeakPolarHBondContact OG-CA 3.48Å; S16-S96 PolarHBondContact OG-OG 3.36Å; S92-S96 WeakPolarHBondContact O-CA 3.49Å; S92-S96 PolarHBondContact O-N 3.39Å; F93-S96 PolarHBondContact O-N 3.01Å; F93-S96 VanDerWaalsContact O-N 3.09Å; K94-S96 VanDerWaalsContact C-N 3.29Å
97A87.4Confident90Very high46 Ų4650.8 Ų50.838%0.3831%0.305SS..SBendtrans-152.3146.2-174.100000110.9S92 A95 L99S92-A97 WeakPolarHBondContact CA-O 3.45Å; S92-A97 VanDerWaalsContact CB-O 3.3Å; S92-A97 WeakPolarHBondContact CB-O 3.48Å; S92-A97 PolarHBondContact O-N 3.25Å; S92-A97 VanDerWaalsContact O-N 3.11Å; A95-A97 PolarHBondContact O-N 3.27Å; A97-L99 PolarHBondContact O-N 2.78Å; A97-L99 VanDerWaalsContact O-N 3.15Å
98R91.1Very high89.9Confident95 Ų9547.3 Ų47.336%0.35829%0.294SS..  trans-63.2113.2173.9-176.3164.1173.2179-8.1110.1C18 L19 D21 C22 W88 E101C18-R98 WeakPolarHBondContact O-CB 3.45Å; L19-R98 HydrophobicContact CD2-CB 3.77Å; L19-R98 HydrophobicContact CD2-CG 3.63Å; D21-R98 IonicContact OD1-NH1 3.22Å; D21-R98 PolarHBondContact OD1-NH1 3.06Å; D21-R98 IonicContact OD2-CZ 3.53Å; D21-R98 IonicContact OD2-NH1 2.8Å; D21-R98 PolarHBondContact OD2-NH1 3.12Å; C22-R98 PolarHBondContact SG-NH1 3.08Å; W88-R98 HydrophobicContact CZ2-CG 4.29Å; R98-E101 IonicContact CZ-OE1 3.6Å; R98-E101 VanDerWaalsContact CZ-OE1 3.22Å; R98-E101 IonicContact NE-OE1 2.7Å; R98-E101 PolarHBondContact NE-OE1 3.03Å; R98-E101 IonicContact NH2-OE1 3.56Å; R98-E101 PolarHBondContact NH2-OE1 2.82Å
99L91Very high89.6Confident50 Ų5048.1 Ų48.126%0.26230%0.299SS..  trans-81.4149.5173.9-60.9179.9000110.7W88 N91 S92 A95 A97 E101 F104W88-L99 PolarHBondContact NE1-O 2.85Å; N91-L99 HydrophobicContact CB-CD1 3.5Å; N91-L99 VanDerWaalsContact CB-CD1 3.5Å; S92-L99 PolarHBondContact OG-N 3.33Å; S92-L99 VanDerWaalsContact OG-N 3.17Å; A95-L99 HydrophobicContact CB-CD2 4.01Å; A95-L99 HydrophobicContact CB-CG 4.41Å; A97-L99 PolarHBondContact O-N 2.78Å; A97-L99 VanDerWaalsContact O-N 3.15Å; L99-E101 PolarHBondContact O-N 3.4Å; L99-F104 HydrophobicContact CB-CE2 3.83Å; L99-F104 HydrophobicContact CD1-CE2 3.87Å; L99-F104 HydrophobicContact CD1-CZ 3.84Å
100A91.1Very high89.2Confident66 Ų6656 Ų5655%0.54534%0.337SS..  trans-61120.6178.900000111.2A103A100-A103 PolarHBondContact O-N 2.88Å
101E92.4Very high89Confident25 Ų2560.7 Ų60.712%0.11736%0.356CS..G310 helixtrans-58.3-36.4-175.1-53.679.8-178.500114H58 H82 V84 W88 R98 L99 A103 F104 A105H58-E101 WeakPolarHBondContact NE2-CG 3.34Å; H58-E101 IonicContact NE2-OE1 2.91Å; H82-E101 HydrophobicContact CB-CB 4.27Å; H82-E101 HydrophobicContact CB-CG 4.07Å; H82-E101 WeakPolarHBondContact ND1-CB 3.5Å; V84-E101 HydrophobicContact CG1-CB 3.99Å; W88-E101 HydrophobicContact CZ2-CG 4.29Å; R98-E101 IonicContact CZ-OE1 3.6Å; R98-E101 VanDerWaalsContact CZ-OE1 3.22Å; R98-E101 IonicContact NE-OE1 2.7Å; R98-E101 PolarHBondContact NE-OE1 3.03Å; R98-E101 IonicContact NH2-OE1 3.56Å; R98-E101 PolarHBondContact NH2-OE1 2.82Å; L99-E101 PolarHBondContact O-N 3.4Å; E101-A103 PolarHBondContact O-N 3.04Å; E101-F104 CarbonylContact O-C 3.51Å; E101-F104 PolarHBondContact O-N 3.09Å; E101-A105 PolarHBondContact O-N 3.35Å; E101-A105 VanDerWaalsContact O-N 3.1Å
102P89.3Confident88.9Confident105 Ų10558 Ų5868%0.68234%0.342SS*.G310 helixtrans-57.8-31.6-179.9-28.236.9000114.6F104P102-F104 PolarHBondContact O-N 2.92Å
103A89.9Confident88.6Confident82 Ų8260.8 Ų60.868%0.67835%0.354SS*.G310 helixtrans-71.1-10.3178.100000113.6A100 E101A100-A103 PolarHBondContact O-N 2.88Å; E101-A103 PolarHBondContact O-N 3.04Å
104F92.9Very high88.4Confident38 Ų3863.7 Ų63.717%0.16737%0.374CS..G310 helixtrans-129.410.5-177.5-59.4-83.1000113.1V84 T85 R87 W88 N91 L99 E101 P102 H106V84-F104 WeakPolarHBondContact CA-O 3.35Å; T85-F104 PolarHBondContact N-O 2.78Å; T85-F104 PolarHBondContact OG1-O 3.48Å; R87-F104 HydrophobicContact CB-CD1 3.92Å; R87-F104 HydrophobicContact CB-CE1 4.24Å; W88-F104 HydrophobicContact CB-CB 3.61Å; W88-F104 HydrophobicContact CB-CD1 4.45Å; W88-F104 HydrophobicContact CB-CD2 4.27Å; W88-F104 HydrophobicContact CB-CG 3.87Å; W88-F104 AromaticContact CD1-CD2 3.82Å; W88-F104 HydrophobicContact CG-CB 4.32Å; W88-F104 HydrophobicContact CG-CD2 4.47Å; N91-F104 HydrophobicContact CB-CE1 4.38Å; N91-F104 HydrophobicContact CB-CZ 4.25Å; N91-F104 WeakPolarHBondContact ND2-CE1 3.39Å; L99-F104 HydrophobicContact CB-CE2 3.83Å; L99-F104 HydrophobicContact CD1-CE2 3.87Å; L99-F104 HydrophobicContact CD1-CZ 3.84Å; E101-F104 CarbonylContact O-C 3.51Å; E101-F104 PolarHBondContact O-N 3.09Å; P102-F104 PolarHBondContact O-N 2.92Å; F104-H106 PolarHBondContact O-N 2.75Å
105A91.3Very high88.3Confident48 Ų4859.2 Ų59.240%0.39736%0.359SS..BIsolated β-bridgetrans-57132.2-178.200000111.2I83 E101I83-A105 WeakPolarHBondContact O-CA 3.29Å; E101-A105 PolarHBondContact O-N 3.35Å; E101-A105 VanDerWaalsContact O-N 3.1Å
106H92Very high87.9Confident8 Ų856.8 Ų56.84%0.03734%0.339CS..  trans-69.4142.4-179.5-167.7-94.8000110.6N62 I83 F104 L108 S109N62-H106 PolarHBondContact O-NE2 3.24Å; I83-H106 HydrophobicContact CG2-CB 4.01Å; I83-H106 PolarHBondContact O-N 2.91Å; F104-H106 PolarHBondContact O-N 2.75Å; H106-L108 WeakPolarHBondContact ND1-CB 3.42Å; H106-L108 PolarHBondContact ND1-N 2.77Å; H106-L108 PolarHBondContact O-N 3.04Å; H106-L108 VanDerWaalsContact O-N 3.1Å; H106-S109 WeakPolarHBondContact O-CB 3.48Å; H106-S109 PolarHBondContact O-N 2.87Å
107P88Confident87.5Confident113 Ų11359.4 Ų59.473%0.73435%0.348SS*.THydrogen-bonded Turntrans-54.1-33.4179.2-29.936.5000114.5S109P107-S109 PolarHBondContact O-N 3.07Å
108L88.2Confident86.9Confident33 Ų3363.7 Ų63.717%0.17336%0.358CS..THydrogen-bonded Turntrans-72.5-8.1175.1-61.5174000114.5L61 V65 V70 H106 Q110 K111 L112L61-L108 HydrophobicContact CD2-CD1 4.27Å; V65-L108 HydrophobicContact CB-CD1 4.26Å; V65-L108 HydrophobicContact CG2-CD1 4.4Å; V70-L108 HydrophobicContact CG2-CD1 3.7Å; H106-L108 WeakPolarHBondContact ND1-CB 3.42Å; H106-L108 PolarHBondContact ND1-N 2.77Å; H106-L108 PolarHBondContact O-N 3.04Å; H106-L108 VanDerWaalsContact O-N 3.1Å; L108-Q110 PolarHBondContact O-N 3.17Å; L108-K111 HydrophobicContact CD2-CD 4.03Å; L108-K111 CarbonylContact O-C 3.51Å; L108-K111 WeakPolarHBondContact O-CB 3.3Å; L108-K111 PolarHBondContact O-N 2.89Å; L108-L112 HydrophobicContact CB-CD1 4.15Å; L108-L112 HydrophobicContact CB-CG 4.35Å; L108-L112 WeakPolarHBondContact O-CG 3.45Å; L108-L112 PolarHBondContact O-N 3.39Å
109S88.2Confident85.7Confident17 Ų1760.7 Ų60.712%0.11935%0.354CS..Hα-helixtrans-55.9-46.7-174.2-177.70000112.4H106 P107 L112 K113H106-S109 WeakPolarHBondContact O-CB 3.48Å; H106-S109 PolarHBondContact O-N 2.87Å; P107-S109 PolarHBondContact O-N 3.07Å; S109-L112 PolarHBondContact O-N 3.24Å; S109-K113 WeakPolarHBondContact O-CB 3.38Å; S109-K113 PolarHBondContact O-N 3.12Å
110Q85.5Confident84.1Confident167 Ų16761.4 Ų61.478%0.7836%0.356SS*.Hα-helixtrans-65.2-39.6175.2-65.8-179.1-5.400112.2L108 L112 S114L108-Q110 PolarHBondContact O-N 3.17Å; Q110-L112 VanDerWaalsContact C-N 3.35Å; Q110-L112 PolarHBondContact O-N 3.21Å; Q110-S114 VanDerWaalsContact O-CB 3.25Å; Q110-S114 WeakPolarHBondContact O-CB 3.23Å; Q110-S114 PolarHBondContact O-N 3.29Å; Q110-S114 PolarHBondContact O-OG 2.84Å
111K86.4Confident82.3Confident106 Ų10661.3 Ų61.346%0.46135%0.351SS..Hα-helixtrans-68.5-31.7-179.9-166.5176.1-176.5178.70112.5L108 S114 A115L108-K111 HydrophobicContact CD2-CD 4.03Å; L108-K111 CarbonylContact O-C 3.51Å; L108-K111 WeakPolarHBondContact O-CB 3.3Å; L108-K111 PolarHBondContact O-N 2.89Å; K111-S114 PolarHBondContact O-OG 2.87Å; K111-A115 WeakPolarHBondContact O-CB 3.37Å; K111-A115 PolarHBondContact O-N 3.17Å
112L86.9Confident80.3Confident1 Ų166.5 Ų66.51%0.00538%0.376CS..Hα-helixtrans-84.3-44177.8-69.3174.9000111.7L61 L73 K74 F78 I83 L108 S109 Q110 A115 S116L61-L112 HydrophobicContact CD2-CD1 4.37Å; L73-L112 HydrophobicContact CB-CD1 4.21Å; L73-L112 HydrophobicContact CB-CD2 3.67Å; L73-L112 HydrophobicContact CD1-CD1 4.37Å; K74-L112 HydrophobicContact CG-CD2 4.24Å; F78-L112 HydrophobicContact CD2-CB 4.02Å; F78-L112 HydrophobicContact CE2-CB 4.32Å; F78-L112 HydrophobicContact CE2-CD1 4.25Å; F78-L112 HydrophobicContact CE2-CD2 4.45Å; I83-L112 HydrophobicContact CD1-CB 3.71Å; I83-L112 HydrophobicContact CD1-CD1 4.02Å; L108-L112 HydrophobicContact CB-CD1 4.15Å; L108-L112 HydrophobicContact CB-CG 4.35Å; L108-L112 WeakPolarHBondContact O-CG 3.45Å; L108-L112 PolarHBondContact O-N 3.39Å; S109-L112 PolarHBondContact O-N 3.24Å; Q110-L112 VanDerWaalsContact C-N 3.35Å; Q110-L112 PolarHBondContact O-N 3.21Å; L112-A115 PolarHBondContact O-N 3.44Å; L112-S116 WeakPolarHBondContact O-CB 3.27Å; L112-S116 PolarHBondContact O-N 2.99Å
113K85.7Confident78.1Confident58 Ų5868.1 Ų68.125%0.25237%0.368SS..Hα-helixtrans-64.8-38.6174.5-76-177.6178-81.30112.7F78 T79 C81 I83 S109 S116 I117F78-K113 PolarHBondContact O-NZ 2.92Å; T79-K113 PolarHBondContact O-NZ 3.43Å; C81-K113 WeakPolarHBondContact O-CE 3.5Å; C81-K113 PolarHBondContact O-NZ 3.11Å; I83-K113 HydrophobicContact CD1-CG 4.42Å; S109-K113 WeakPolarHBondContact O-CB 3.38Å; S109-K113 PolarHBondContact O-N 3.12Å; K113-S116 WeakPolarHBondContact O-CB 3.01Å; K113-S116 PolarHBondContact O-N 3.37Å; K113-I117 VanDerWaalsContact O-CG1 3.27Å; K113-I117 WeakPolarHBondContact O-CG1 3.15Å; K113-I117 PolarHBondContact O-N 3.48Å
114S83.6Confident75.6Confident60 Ų6068.9 Ų68.942%0.4236%0.364SS..Hα-helixtrans-68.7-32.3174.754.10000113.1Q110 K111 K118Q110-S114 VanDerWaalsContact O-CB 3.25Å; Q110-S114 WeakPolarHBondContact O-CB 3.23Å; Q110-S114 PolarHBondContact O-N 3.29Å; Q110-S114 PolarHBondContact O-OG 2.84Å; K111-S114 PolarHBondContact O-OG 2.87Å; S114-K118 WeakPolarHBondContact O-CG 3.49Å; S114-K118 PolarHBondContact O-N 2.81Å
115A82.9Confident72.7Confident24 Ų2474.5 Ų74.520%0.19840%0.396CS..Hα-helixtrans-65.9-45.616900000111.6K74 K111 L112 I117 K118 A119K74-A115 HydrophobicContact CB-CB 4.36Å; K74-A115 HydrophobicContact CG-CB 4.09Å; K111-A115 WeakPolarHBondContact O-CB 3.37Å; K111-A115 PolarHBondContact O-N 3.17Å; L112-A115 PolarHBondContact O-N 3.44Å; A115-I117 VanDerWaalsContact C-N 3.32Å; A115-I117 PolarHBondContact O-N 3.02Å; A115-K118 PolarHBondContact O-N 2.8Å; A115-A119 WeakPolarHBondContact O-CB 3.45Å; A115-A119 PolarHBondContact O-N 3.36Å
116S78.7Confident70Confident4 Ų477.8 Ų77.83%0.02840%0.403CS..Hα-helixtrans-57.5-41.9175.6-167.40000112.1D77 F78 L112 K113 Q120D77-S116 PolarHBondContact OD1-OG 3.25Å; F78-S116 PolarHBondContact N-OG 2.91Å; F78-S116 VanDerWaalsContact N-OG 3.08Å; L112-S116 WeakPolarHBondContact O-CB 3.27Å; L112-S116 PolarHBondContact O-N 2.99Å; K113-S116 WeakPolarHBondContact O-CB 3.01Å; K113-S116 PolarHBondContact O-N 3.37Å; S116-Q120 WeakPolarHBondContact O-CB 3.39Å; S116-Q120 WeakPolarHBondContact O-CG 3.49Å; S116-Q120 PolarHBondContact O-N 3.16Å
117I75.5Confident67.2Low101 Ų10185 Ų8552%0.51844%0.435SS..Hα-helixtrans-69.9-38.3177.9-69.2163.6000111.5K113 A115 Q120 S121K113-I117 VanDerWaalsContact O-CG1 3.27Å; K113-I117 WeakPolarHBondContact O-CG1 3.15Å; K113-I117 PolarHBondContact O-N 3.48Å; A115-I117 VanDerWaalsContact C-N 3.32Å; A115-I117 PolarHBondContact O-N 3.02Å; I117-Q120 PolarHBondContact O-N 3.42Å; I117-S121 PolarHBondContact O-N 3.44Å; I117-S121 PolarHBondContact O-OG 2.7Å
118K74.8Confident64.4Low137 Ų13786.4 Ų86.460%0.59644%0.441SS*.Hα-helixtrans-63.4-50.4174.8-76.4-175.1175-163.20111.7S114 A115 Q120 S121 E122S114-K118 WeakPolarHBondContact O-CG 3.49Å; S114-K118 PolarHBondContact O-N 2.81Å; A115-K118 PolarHBondContact O-N 2.8Å; K118-Q120 PolarHBondContact O-N 2.91Å; K118-S121 WeakPolarHBondContact CA-OG 3.35Å; K118-S121 PolarHBondContact O-N 3.31Å; K118-S121 PolarHBondContact O-OG 3.48Å; K118-E122 WeakPolarHBondContact O-CG 3.48Å; K118-E122 PolarHBondContact O-N 3.47Å
119A66.6Low61.4Low32 Ų3288.7 Ų88.726%0.26446%0.46SS..Hα-helixtrans-61.3-27.4175.500000113A115 R123A115-A119 WeakPolarHBondContact O-CB 3.45Å; A115-A119 PolarHBondContact O-N 3.36Å; A119-R123 WeakPolarHBondContact O-CD 3.33Å; A119-R123 VanDerWaalsContact O-CG 3.23Å; A119-R123 WeakPolarHBondContact O-CG 3.2Å; A119-R123 PolarHBondContact O-N 2.99Å
120Q55.4Low58.6Low64 Ų6495.9 Ų95.930%0.29949%0.491SS..Hα-helixtrans-76.9-40.7168.9-80.1-171.5-4.200112.9D77 T79 S116 I117 K118 E122 R123 T124D77-Q120 PolarHBondContact OD2-NE2 2.87Å; T79-Q120 VanDerWaalsContact CG2-NE2 3.26Å; S116-Q120 WeakPolarHBondContact O-CB 3.39Å; S116-Q120 WeakPolarHBondContact O-CG 3.49Å; S116-Q120 PolarHBondContact O-N 3.16Å; I117-Q120 PolarHBondContact O-N 3.42Å; K118-Q120 PolarHBondContact O-N 2.91Å; Q120-E122 VanDerWaalsContact C-N 3.25Å; Q120-E122 PolarHBondContact O-N 2.9Å; Q120-R123 CarbonylContact O-C 3.6Å; Q120-R123 WeakPolarHBondContact O-CA 3.29Å; Q120-R123 PolarHBondContact O-N 3.28Å; Q120-T124 WeakPolarHBondContact O-CG2 3.26Å; Q120-T124 PolarHBondContact O-N 3.4Å; Q120-T124 PolarHBondContact O-OG1 3.1Å
121S53.6Low55.8Low65 Ų6592.1 Ų92.146%0.45548%0.482SS..Hα-helixtrans-64.1-32.3177.664.10000112.8I117 K118 T124I117-S121 PolarHBondContact O-N 3.44Å; I117-S121 PolarHBondContact O-OG 2.7Å; K118-S121 WeakPolarHBondContact CA-OG 3.35Å; K118-S121 PolarHBondContact O-N 3.31Å; K118-S121 PolarHBondContact O-OG 3.48Å; S121-T124 WeakPolarHBondContact CA-OG1 3.23Å; S121-T124 PolarHBondContact O-OG1 3.41Å
122E50.6Low53.2Low134 Ų13489.3 Ų89.363%0.62648%0.478SS*.Hα-helixtrans-67.1-37171.2-70.9155-166.600110.9K118 Q120K118-E122 WeakPolarHBondContact O-CG 3.48Å; K118-E122 PolarHBondContact O-N 3.47Å; Q120-E122 VanDerWaalsContact C-N 3.25Å; Q120-E122 PolarHBondContact O-N 2.9Å
123R43.2Very low50.8Low139 Ų13993.6 Ų93.653%0.52551%0.513SS..Hα-helixtrans-83.1-18176.4-72.8172.3179.2172.31.1115.9A119 Q120 N125 E126A119-R123 WeakPolarHBondContact O-CD 3.33Å; A119-R123 VanDerWaalsContact O-CG 3.23Å; A119-R123 WeakPolarHBondContact O-CG 3.2Å; A119-R123 PolarHBondContact O-N 2.99Å; Q120-R123 CarbonylContact O-C 3.6Å; Q120-R123 WeakPolarHBondContact O-CA 3.29Å; Q120-R123 PolarHBondContact O-N 3.28Å; R123-N125 PolarHBondContact O-N 2.94Å; R123-E126 CarbonylContact O-C 3.09Å; R123-E126 WeakPolarHBondContact O-CA 3.16Å; R123-E126 WeakPolarHBondContact O-CB 3.36Å; R123-E126 PolarHBondContact O-N 3.02Å
124T37.6Very low48.8Very low98 Ų9895.1 Ų95.160%0.60152%0.524SS*.G310 helixtrans-71.2-14.3-178.338.70000113.4Q120 S121 E126Q120-T124 WeakPolarHBondContact O-CG2 3.26Å; Q120-T124 PolarHBondContact O-N 3.4Å; Q120-T124 PolarHBondContact O-OG1 3.1Å; S121-T124 WeakPolarHBondContact CA-OG1 3.23Å; S121-T124 PolarHBondContact O-OG1 3.41Å; T124-E126 VanDerWaalsContact C-N 3.26Å
125N33.2Very low47.4Very low156 Ų15692.6 Ų92.683%0.83451%0.508SS*.G310 helixtrans-81.5-3.1166.2-70.1-15.3000112.9R123R123-N125 PolarHBondContact O-N 2.94Å
126E34.2Very low46.4Very low116 Ų11696.3 Ų96.354%0.54253%0.532SS..G310 helixtrans-119.325.6-177.1-50.2-178.4120.500112.4R123 T124 S129R123-E126 CarbonylContact O-C 3.09Å; R123-E126 WeakPolarHBondContact O-CA 3.16Å; R123-E126 WeakPolarHBondContact O-CB 3.36Å; R123-E126 PolarHBondContact O-N 3.02Å; T124-E126 VanDerWaalsContact C-N 3.26Å; E126-S129 CarbonylContact C-O 3.59Å
127F31.7Very low46.5Very low161 Ų16197.7 Ų97.771%0.70654%0.541SS*.  trans-119.716.8-175.1-129.5-94.8000115.7
128V29.4Very low46.7Very low141 Ų14195.8 Ų95.886%0.85554%0.536SS*.SBendtrans-112.8115.2151.3175.10000106.2
129S27.1Very low47Very low82 Ų8294.9 Ų94.957%0.57353%0.532SS*.  trans65.2127.9-147.8-33.70000111.3E126 P131E126-S129 CarbonylContact C-O 3.59Å; S129-P131 WeakPolarHBondContact O-CD 3.4Å
130Q28.2Very low47.6Very low167 Ų16797.2 Ų97.278%0.7854%0.537SS*.  -73.5114.4125.5-82.5-168.5-41.200103.8
131P27.7Very low48.8Very low89 Ų8994.2 Ų94.258%0.57852%0.524SS*.  trans-55.9154.1160.8-1732000107.3S129 A133S129-P131 WeakPolarHBondContact O-CD 3.4Å; P131-A133 PolarHBondContact O-N 3.38Å
132A30Very low50.2Low46 Ų4691.2 Ų91.238%0.3850%0.502SS..  trans-54.3144.2152.100000107.1N134 D792A132-N134 WeakPolarHBondContact CB-OD1 3.32Å; A132-N134 PolarHBondContact O-N 3.42Å; A132-D792 HydrophobicContact CB-CB 4Å
133A37.4Very low51.7Low91 Ų9189.7 Ų89.775%0.75250%0.495SS*.  trans-66.582.8162.800000105.7P131 A135P131-A133 PolarHBondContact O-N 3.38Å; A133-A135 VanDerWaalsContact C-N 3.27Å; A133-A135 PolarHBondContact O-N 3.41Å
134N43.8Very low53.4Low90 Ų9085.6 Ų85.648%0.48149%0.488SS..  trans-62.294.8-173.6-87.2-0.3000106.5A132 S136A132-N134 WeakPolarHBondContact CB-OD1 3.32Å; A132-N134 PolarHBondContact O-N 3.42Å; N134-S136 PolarHBondContact O-N 2.88Å
135A53.8Low55.4Low8 Ų881.1 Ų81.17%0.06646%0.46CS..  trans-49.3118.2177.300000107.6A133 S137 E140 A141 I793A133-A135 VanDerWaalsContact C-N 3.27Å; A133-A135 PolarHBondContact O-N 3.41Å; A135-S137 WeakPolarHBondContact CB-O 3.47Å; A135-S137 PolarHBondContact O-N 2.83Å; A135-E140 HydrophobicContact CB-CB 3.74Å; A135-A141 HydrophobicContact CB-CB 3.7Å; A135-A141 VanDerWaalsContact CB-N 3.35Å; A135-I793 VanDerWaalsContact O-CD1 3.28Å; A135-I793 WeakPolarHBondContact O-CD1 3.46Å
136S62.6Low57.5Low102 Ų10274.1 Ų74.171%0.71342%0.423SS*.SBendtrans-68.5-19.4-175.575.50000111.3N134 E140N134-S136 PolarHBondContact O-N 2.88Å; S136-E140 WeakPolarHBondContact CB-OE2 3.22Å; S136-E140 PolarHBondContact N-OE2 3.09Å; S136-E140 VanDerWaalsContact OG-CD 3.24Å; S136-E140 PolarHBondContact OG-OE1 3.26Å; S136-E140 PolarHBondContact OG-OE2 2.88Å
137S80.4Confident59.4Low32 Ų3271.8 Ų71.822%0.22442%0.419CS..SBendtrans-133.5155.617470.30000112.4A135 K139 E140 A141A135-S137 WeakPolarHBondContact CB-O 3.47Å; A135-S137 PolarHBondContact O-N 2.83Å; S137-K139 PolarHBondContact O-N 3.12Å; S137-K139 VanDerWaalsContact O-N 3.13Å; S137-E140 PolarHBondContact O-N 3.19Å; S137-E140 PolarHBondContact OG-N 2.78Å; S137-E140 PolarHBondContact OG-OE1 2.92Å; S137-A141 PolarHBondContact O-N 3.24Å
138P78.8Confident61.1Low61 Ų6166.8 Ų66.840%0.39640%0.398SS..Hα-helixtrans-55.2-25.7169.8-28.837.2000114.4A141 I142 L797P138-A141 WeakPolarHBondContact O-CB 3.3Å; P138-A141 PolarHBondContact O-N 2.97Å; P138-I142 WeakPolarHBondContact O-CD1 3.41Å; P138-I142 WeakPolarHBondContact O-CG1 3.49Å; P138-I142 PolarHBondContact O-N 3.11Å; P138-L797 HydrophobicContact CB-CD1 4.06Å
139K80.8Confident62.9Low119 Ų11960.2 Ų60.252%0.51736%0.358SS..Hα-helixtrans-70.8-46.1179.3-65.3-171.6176.9-173.60111.9S137 A141 I142 E143S137-K139 PolarHBondContact O-N 3.12Å; S137-K139 VanDerWaalsContact O-N 3.13Å; K139-A141 PolarHBondContact O-N 3.06Å; K139-I142 PolarHBondContact O-N 2.99Å; K139-I142 VanDerWaalsContact O-N 3.13Å; K139-E143 PolarHBondContact O-N 2.91Å
140E80.2Confident64.4Low80 Ų8058.4 Ų58.437%0.37435%0.348SS..Hα-helixtrans-59.2-34.6170.9-75.5147.7-117.200111.6A135 S136 S137 S144A135-E140 HydrophobicContact CB-CB 3.74Å; S136-E140 WeakPolarHBondContact CB-OE2 3.22Å; S136-E140 PolarHBondContact N-OE2 3.09Å; S136-E140 VanDerWaalsContact OG-CD 3.24Å; S136-E140 PolarHBondContact OG-OE1 3.26Å; S136-E140 PolarHBondContact OG-OE2 2.88Å; S137-E140 PolarHBondContact O-N 3.19Å; S137-E140 PolarHBondContact OG-N 2.78Å; S137-E140 PolarHBondContact OG-OE1 2.92Å; E140-S144 WeakPolarHBondContact O-CB 3.32Å; E140-S144 PolarHBondContact O-N 3.43Å
141A81.5Confident65.5Low2 Ų253 Ų532%0.01733%0.332CS..Hα-helixtrans-65.8-42.9175.300000111.4A135 S137 P138 K139 I145 I793 L797A135-A141 HydrophobicContact CB-CB 3.7Å; A135-A141 VanDerWaalsContact CB-N 3.35Å; S137-A141 PolarHBondContact O-N 3.24Å; P138-A141 WeakPolarHBondContact O-CB 3.3Å; P138-A141 PolarHBondContact O-N 2.97Å; K139-A141 PolarHBondContact O-N 3.06Å; A141-I145 VanDerWaalsContact O-CB 3.24Å; A141-I145 WeakPolarHBondContact O-CB 3.31Å; A141-I145 WeakPolarHBondContact O-CD1 3.42Å; A141-I145 WeakPolarHBondContact O-CG1 3.43Å; A141-I145 PolarHBondContact O-N 3.35Å; A141-I793 HydrophobicContact CB-CB 4.47Å; A141-I793 HydrophobicContact CB-CG2 4.24Å; A141-L797 HydrophobicContact CB-CD1 3.83Å
142I82.1Confident66.5Low1 Ų152.8 Ų52.81%0.00532%0.323CS..Hα-helixtrans-65.8-42.3177-72.3159.5000111.8P138 K139 I145 L146 E894 V897 L901 D902P138-I142 WeakPolarHBondContact O-CD1 3.41Å; P138-I142 WeakPolarHBondContact O-CG1 3.49Å; P138-I142 PolarHBondContact O-N 3.11Å; K139-I142 PolarHBondContact O-N 2.99Å; K139-I142 VanDerWaalsContact O-N 3.13Å; I142-I145 PolarHBondContact O-N 2.82Å; I142-L146 HydrophobicContact CG2-CD1 4.46Å; I142-L146 PolarHBondContact O-N 3Å; I142-E894 HydrophobicContact CG2-CB 4.4Å; I142-V897 HydrophobicContact CG2-CB 4.2Å; I142-V897 HydrophobicContact CG2-CG1 4.12Å; I142-L901 HydrophobicContact CG1-CB 4.35Å; I142-L901 HydrophobicContact CG1-CD1 4.28Å; I142-D902 VanDerWaalsContact CD1-OD1 3.28Å; I142-D902 WeakPolarHBondContact CD1-OD1 3.38Å
143E81.7Confident67.2Low102 Ų10253.8 Ų53.848%0.47732%0.322SS..Hα-helixtrans-67.2-42.4176.4-172.4-179.4167.800111.9K139 L146 S147K139-E143 PolarHBondContact O-N 2.91Å; E143-L146 PolarHBondContact O-N 3.25Å; E143-S147 WeakPolarHBondContact O-CB 3.47Å; E143-S147 PolarHBondContact O-N 3.4Å; E143-S147 PolarHBondContact O-OG 3.21Å
144S79.3Confident67Low54 Ų5454.1 Ų54.138%0.37831%0.308SS..Hα-helixtrans-61.9-44.1172.81750000111.7E140 S147 Q148E140-S144 WeakPolarHBondContact O-CB 3.32Å; E140-S144 PolarHBondContact O-N 3.43Å; S144-S147 PolarHBondContact O-N 3.03Å; S144-Q148 VanDerWaalsContact O-CG 3.32Å; S144-Q148 WeakPolarHBondContact O-CG 3.38Å; S144-Q148 PolarHBondContact O-N 3.17Å; S144-Q148 PolarHBondContact O-NE2 3.49Å; S144-Q148 VanDerWaalsContact O-NE2 3.08Å
145I79.4Confident66.1Low4 Ų455 Ų552%0.02132%0.319CS..Hα-helixtrans-56.7-57.7173.2-77.9169.6000108.5A141 I142 S147 Q148 Y149 L751 L798 V897 L901A141-I145 VanDerWaalsContact O-CB 3.24Å; A141-I145 WeakPolarHBondContact O-CB 3.31Å; A141-I145 WeakPolarHBondContact O-CD1 3.42Å; A141-I145 WeakPolarHBondContact O-CG1 3.43Å; A141-I145 PolarHBondContact O-N 3.35Å; I142-I145 PolarHBondContact O-N 2.82Å; I145-S147 VanDerWaalsContact C-N 3.34Å; I145-S147 PolarHBondContact O-N 3.25Å; I145-Q148 VanDerWaalsContact O-CB 3.29Å; I145-Q148 WeakPolarHBondContact O-CB 3.44Å; I145-Q148 PolarHBondContact O-N 3.41Å; I145-Y149 HydrophobicContact CG2-CD2 4.42Å; I145-Y149 HydrophobicContact CG2-CE2 3.56Å; I145-Y149 WeakPolarHBondContact O-CD2 3.42Å; I145-Y149 WeakPolarHBondContact O-CE2 3.49Å; I145-L751 HydrophobicContact CG2-CD1 4.27Å; I145-L798 HydrophobicContact CD1-CD1 4.02Å; I145-L798 HydrophobicContact CD1-CG 4.14Å; I145-V897 HydrophobicContact CG2-CG1 3.86Å; I145-L901 HydrophobicContact CD1-CD1 3.59Å; I145-L901 HydrophobicContact CG2-CD1 4.44Å
146L78.2Confident65.1Low8 Ų859.4 Ų59.44%0.04235%0.349CS..Hα-helixtrans-55.6-42.7-179.7-91.9164.5000114.4I142 E143 Q148 Y149 A150 I833 L893 E894 V897I142-L146 HydrophobicContact CG2-CD1 4.46Å; I142-L146 PolarHBondContact O-N 3Å; E143-L146 PolarHBondContact O-N 3.25Å; L146-Q148 PolarHBondContact O-N 3.21Å; L146-Y149 PolarHBondContact O-N 2.87Å; L146-A150 PolarHBondContact O-N 3.02Å; L146-I833 HydrophobicContact CD2-CD1 3.39Å; L146-I833 HydrophobicContact CD2-CG1 4.34Å; L146-L893 HydrophobicContact CD2-CG 4.41Å; L146-E894 VanDerWaalsContact CD1-CA 3.41Å; L146-E894 HydrophobicContact CD1-CB 4.16Å; L146-E894 HydrophobicContact CD1-CG 4Å; L146-V897 HydrophobicContact CD1-CB 3.97Å; L146-V897 HydrophobicContact CD1-CG2 4.02Å; L146-V897 HydrophobicContact CD2-CB 4.46Å; L146-V897 HydrophobicContact CD2-CG2 3.62Å; L146-V897 HydrophobicContact CG-CB 3.99Å; L146-V897 HydrophobicContact CG-CG2 3.64Å
147S73Confident63.4Low67 Ų6758.4 Ų58.447%0.46935%0.347SS..Hα-helixtrans-57.2-32.9176.3-64.20000112.5E143 S144 I145 A150 A151E143-S147 WeakPolarHBondContact O-CB 3.47Å; E143-S147 PolarHBondContact O-N 3.4Å; E143-S147 PolarHBondContact O-OG 3.21Å; S144-S147 PolarHBondContact O-N 3.03Å; I145-S147 VanDerWaalsContact C-N 3.34Å; I145-S147 PolarHBondContact O-N 3.25Å; S147-A150 PolarHBondContact O-N 3.06Å; S147-A151 PolarHBondContact O-N 2.95Å; S147-A151 VanDerWaalsContact O-N 3.17Å
148Q68.6Low61Low57 Ų5762.5 Ų62.527%0.26637%0.37SS..Hα-helixtrans-67.7-32.8175.1-63.6161.248.500112.4S144 I145 L146 A151 Q152 R746S144-Q148 VanDerWaalsContact O-CG 3.32Å; S144-Q148 WeakPolarHBondContact O-CG 3.38Å; S144-Q148 PolarHBondContact O-N 3.17Å; S144-Q148 PolarHBondContact O-NE2 3.49Å; S144-Q148 VanDerWaalsContact O-NE2 3.08Å; I145-Q148 VanDerWaalsContact O-CB 3.29Å; I145-Q148 WeakPolarHBondContact O-CB 3.44Å; I145-Q148 PolarHBondContact O-N 3.41Å; L146-Q148 PolarHBondContact O-N 3.21Å; Q148-A151 PolarHBondContact O-N 2.83Å; Q148-Q152 WeakPolarHBondContact O-CG 3.46Å; Q148-Q152 PolarHBondContact O-N 3.31Å; Q148-R746 VanDerWaalsContact OE1-CG 3.27Å; Q148-R746 VanDerWaalsContact OE1-N 3.08Å
149Y66.6Low58.7Low3 Ų366.7 Ų66.71%0.01239%0.385CS..Hα-helixtrans-72-37.9177.1-59.9-99.2000111.1I145 L146 A151 Q152 T747 S748 L751I145-Y149 HydrophobicContact CG2-CD2 4.42Å; I145-Y149 HydrophobicContact CG2-CE2 3.56Å; I145-Y149 WeakPolarHBondContact O-CD2 3.42Å; I145-Y149 WeakPolarHBondContact O-CE2 3.49Å; L146-Y149 PolarHBondContact O-N 2.87Å; Y149-A151 PolarHBondContact O-N 3.18Å; Y149-Q152 PolarHBondContact O-N 3.29Å; Y149-T747 VanDerWaalsContact CE1-O 3.22Å; Y149-T747 WeakPolarHBondContact CE1-O 3.39Å; Y149-T747 PolarHBondContact OH-O 2.92Å; Y149-T747 VanDerWaalsContact OH-O 3.14Å; Y149-S748 VanDerWaalsContact CE1-CA 3.48Å; Y149-L751 HydrophobicContact CD1-CD1 4.42Å; Y149-L751 HydrophobicContact CD2-CD1 4.41Å; Y149-L751 HydrophobicContact CE1-CB 4.42Å; Y149-L751 HydrophobicContact CE1-CD1 3.65Å; Y149-L751 HydrophobicContact CE1-CG 4.12Å; Y149-L751 HydrophobicContact CE2-CD1 3.76Å; Y149-L751 WeakPolarHBondContact OH-CD1 3.21Å; Y149-L751 WeakPolarHBondContact OH-CG 3.24Å
150A58.6Low56.3Low44 Ų4466.5 Ų66.536%0.36440%0.395SS..Hα-helixtrans-62.6-31.8172.100000112.4L146 S147L146-A150 PolarHBondContact O-N 3.02Å; S147-A150 PolarHBondContact O-N 3.06Å
151A50.7Low54Low53 Ų5366.2 Ų66.244%0.43841%0.414SS..Hα-helixtrans-77.1-21.617600000114.4S147 Q148 Y149 D153 E154S147-A151 PolarHBondContact O-N 2.95Å; S147-A151 VanDerWaalsContact O-N 3.17Å; Q148-A151 PolarHBondContact O-N 2.83Å; Y149-A151 PolarHBondContact O-N 3.18Å; A151-D153 VanDerWaalsContact C-N 3.28Å; A151-D153 PolarHBondContact O-N 3.1Å; A151-E154 PolarHBondContact O-N 2.9Å
152Q49.4Very low51.6Low85 Ų8571.9 Ų71.940%0.39745%0.453SS..Hα-helixtrans-71.9-19.7-178.6-57.4-138.8-71.800114.3Q148 Y149 E154 R746 T747 S748Q148-Q152 WeakPolarHBondContact O-CG 3.46Å; Q148-Q152 PolarHBondContact O-N 3.31Å; Y149-Q152 PolarHBondContact O-N 3.29Å; Q152-E154 VanDerWaalsContact C-N 3.3Å; Q152-R746 PolarHBondContact NE2-O 3.2Å; Q152-T747 VanDerWaalsContact OE1-CA 3.3Å; Q152-S748 VanDerWaalsContact OE1-N 3.08Å
153D43.5Very low49Very low67 Ų6778.8 Ų78.836%0.35850%0.496SS..THydrogen-bonded Turntrans-82.4-6.9174.4-77.4-47000112.9A151 Q830 K831A151-D153 VanDerWaalsContact C-N 3.28Å; A151-D153 PolarHBondContact O-N 3.1Å; D153-Q830 WeakPolarHBondContact OD2-CA 3.34Å; D153-K831 WeakPolarHBondContact OD1-CB 3.25Å; D153-K831 PolarHBondContact OD2-N 2.75Å
154E33.5Very low46.4Very low98 Ų9877 Ų7746%0.45851%0.505SS..SBendtrans-86.6132.3165.3-68.8-61.315200110.4A151 Q152 S156 K828A151-E154 PolarHBondContact O-N 2.9Å; Q152-E154 VanDerWaalsContact C-N 3.3Å; E154-S156 VanDerWaalsContact C-N 3.27Å; E154-S156 PolarHBondContact O-N 3.44Å; E154-K828 IonicContact OE1-NZ 3.29Å; E154-K828 PolarHBondContact OE1-NZ 3.01Å
155P26.3Very low44.1Very low108 Ų10884.6 Ų84.670%0.70153%0.527SS*.  trans-72.481-179.130.8-35.2000111A157P155-A157 PolarHBondContact O-N 2.89Å
156S31.5Very low41.8Very low101 Ų10191.5 Ų91.571%0.70657%0.569SS**  trans-58.4119-177.1-69.70000111.8E154E154-S156 VanDerWaalsContact C-N 3.27Å; E154-S156 PolarHBondContact O-N 3.44Å
157A28Very low39.7Very low80 Ų8097.5 Ų97.566%0.66160%0.601SS**  trans-64.7139.2177.200000111.3P155 Q159P155-A157 PolarHBondContact O-N 2.89Å; A157-Q159 PolarHBondContact O-N 2.88Å
158V30.1Very low37.4Very low119 Ų119102.2 Ų102.272%0.72162%0.621SS**  trans-71.2111.6-179.1179.10000110.2P160V158-P160 WeakPolarHBondContact O-CD 3.23Å
159Q29.3Very low35.7Very low149 Ų149104 Ų10470%0.69665%0.645SS**PPolyproline II helixtrans-73.8124163.3-73-78.89.700109.2A157 G161A157-Q159 PolarHBondContact O-N 2.88Å; Q159-G161 PolarHBondContact O-N 3.2Å
160P31.5Very low34.1Very low114 Ų114111 Ų11174%0.7469%0.688SS**PPolyproline II helixtrans-68.3125.3167.7-15.330.6000109.7V158 S162V158-P160 WeakPolarHBondContact O-CD 3.23Å; P160-S162 PolarHBondContact O-N 3.48Å
161G31.8Very low33Very low75 Ų75114.1 Ų114.177%0.77371%0.708SS**PPolyproline II helixtrans-67.7127.3176.800000111.6Q159Q159-G161 PolarHBondContact O-N 3.2Å
162S30.1Very low32.1Very low120 Ų120116.7 Ų116.784%0.83972%0.722SS**PPolyproline II helixtrans-76.9127.9175.852.70000111.6P160P160-S162 PolarHBondContact O-N 3.48Å
163T28.7Very low31.2Very low146 Ų146119 Ų11990%0.89674%0.743SS**  trans-120.4137166.648.40000110.7
164G27.6Very low30.6Very low64 Ų64124.4 Ų124.466%0.6677%0.768SS**  trans138.4136.4-169.200000108.9
165Y29.3Very low30.5Very low214 Ų214128.5 Ų128.584%0.83979%0.787SS**  cis-129.2150.914.5-71.6-107.3000111.9
166V31.7Very low30.7Very low149 Ų149128.6 Ų128.690%0.90379%0.786SS**  trans-129.6134146.4-175.10000105.7
167N33.7Very low30.6Very low135 Ų135130 Ų13072%0.72280%0.795SS**  trans-85.1162.8-161.5-66-23.8000114.3
168D26.2Very low30.8Very low165 Ų165134.6 Ų134.688%0.88280%0.8SS**  trans-52146.1172.9-64.3-75.4000114.2
169A31Very low30.8Very low95 Ų95136 Ų13679%0.78580%0.804SS**  -174.782.8127.200000113.7
170T34.4Very low30.9Very low149 Ų149136.2 Ų136.291%0.91482%0.815SS**  trans-146.1128.2151.9-21.20000112.2
171S34.5Very low30.8Very low110 Ų110135.8 Ų135.877%0.76981%0.81SS**  trans-86.8169-177.6-580000113.8
172S33.1Very low30.7Very low107 Ų107138.2 Ų138.275%0.74881%0.805SS**  trans82.887.4152.6-54.20000118.9
173T29.2Very low30.7Very low135 Ų135138 Ų13883%0.82880%0.804SS**  47.9106.3115.4-49.20000119.2
174M32.3Very low30.8Very low179 Ų179137.8 Ų137.888%0.88280%0.802SS**  -151.6143.9119-83.9-141.376.800110.6
175Q30.3Very low31.3Very low185 Ų185143 Ų14386%0.86481%0.809SS**  trans-84.7119.1178.3-64.2171.6-67.100111.1
176V31.6Very low31.5Very low110 Ų110137.7 Ų137.767%0.66780%0.803SS**  trans-139.1107.8156.4-175.50000108.5K178V176-K178 HydrophobicContact CG1-CD 4.46Å; V176-K178 HydrophobicContact CG1-CG 4.23Å; V176-K178 PolarHBondContact O-N 3.02Å; V176-K178 VanDerWaalsContact O-N 3.13Å
177S27.7Very low32.1Very low130 Ų130134.8 Ų134.891%0.90980%0.795SS**  trans-64.1111.8175.3-53.90000110.2
178K33.4Very low32.9Very low177 Ų177133.6 Ų133.677%0.7778%0.781SS**  trans-134.6143.6174.2-85.6-177.5176.6-179.40111V176V176-K178 HydrophobicContact CG1-CD 4.46Å; V176-K178 HydrophobicContact CG1-CG 4.23Å; V176-K178 PolarHBondContact O-N 3.02Å; V176-K178 VanDerWaalsContact O-N 3.13Å
179N30.2Very low34.4Very low149 Ų149132.2 Ų132.280%0.79777%0.769SS**  trans-63.5134.7176.8-52.3-23.6000110.1
180V31.8Very low36.5Very low152 Ų152133 Ų13392%0.92176%0.76SS**  trans-116.987.7159.3-178.10000107
181T28.4Very low38.9Very low105 Ų105126.8 Ų126.864%0.64472%0.722SS**  trans-119.5145.6174.9-36.90000107.7
182L30.1Very low41.6Very low127 Ų127121.5 Ų121.567%0.66569%0.685SS**  trans64.2108.3169.1-65.6132.2000118.2Q185L182-Q185 WeakPolarHBondContact CD2-O 3.5Å
183S28.8Very low44Very low116 Ų116122.4 Ų122.481%0.81168%0.682SS**SBendtrans-158.347.1143.154.50000113.3
184T31.7Very low46.7Very low140 Ų140118.4 Ų118.486%0.85967%0.667SS**SBendtrans-168.3-17.71636.10000114.6
185Q37.5Very low49.5Very low175 Ų175111.4 Ų111.482%0.81863%0.632SS**  trans-9780.5176.7-66.6176.7-10.100111.2L182L182-Q185 WeakPolarHBondContact CD2-O 3.5Å
186S34.9Very low52.5Low102 Ų102104.3 Ų104.371%0.71360%0.602SS**  trans-15840.4-178.967.40000114.8
187A44.5Very low55.4Low87 Ų8799.1 Ų99.172%0.71957%0.57SS**SBendtrans-140.72.1178.500000114.6
188Y50Low58.3Low111 Ų11196 Ų9644%0.43554%0.538SS..SBendtrans-125.5138.6166-62.8-78.8000106.4R216 L257 N260Y188-R216 HydrophobicContact CD1-CG 4.47Å; Y188-R216 HydrophobicContact CD2-CG 3.6Å; Y188-R216 VanDerWaalsContact CE2-CD 3.47Å; Y188-R216 HydrophobicContact CE2-CG 3.7Å; Y188-R216 HydrophobicContact CG-CG 4.02Å; Y188-L257 HydrophobicContact CE1-CD1 4.16Å; Y188-N260 WeakPolarHBondContact CA-OD1 3.46Å
189E57.8Low61.1Low136 Ų13688.4 Ų88.464%0.63651%0.506SS*.  trans-72.4160.3164.3-63.3178.4130.600108.1V191 N260E189-V191 HydrophobicContact CB-CG2 4.49Å; E189-V191 PolarHBondContact O-N 3.12Å; E189-N260 PolarHBondContact N-OD1 3.06Å; E189-N260 VanDerWaalsContact N-OD1 3.11Å; E189-N260 PolarHBondContact OE2-ND2 3.17Å
190N73.5Confident63.8Low110 Ų11083 Ų8359%0.58848%0.477SS*.  trans-77.466.9175.9-64.4-49.6000109.6F192 N193 L217N190-F192 PolarHBondContact O-N 2.9Å; N190-N193 HydrophobicContact CB-CB 3.84Å; N190-N193 WeakPolarHBondContact O-CB 3.26Å; N190-N193 PolarHBondContact O-N 3.18Å; N190-L217 CarbonylContact C-O 3.51Å
191V85.6Confident66.2Low19 Ų1978.3 Ų78.312%0.11546%0.459CS..THydrogen-bonded Turntrans-54.4-35.9-175.6174.50000112E189 L217 N260 I262E189-V191 HydrophobicContact CB-CG2 4.49Å; E189-V191 PolarHBondContact O-N 3.12Å; V191-L217 HydrophobicContact CB-CB 4.28Å; V191-L217 HydrophobicContact CB-CD2 3.83Å; V191-L217 HydrophobicContact CG1-CD2 4.42Å; V191-L217 HydrophobicContact CG2-CD2 3.81Å; V191-L217 PolarHBondContact N-O 3.45Å; V191-L217 VanDerWaalsContact N-O 3.12Å; V191-N260 HydrophobicContact CG2-CB 4.47Å; V191-N260 WeakPolarHBondContact CG2-O 3.41Å; V191-I262 HydrophobicContact CG1-CG1 3.83Å; V191-I262 VanDerWaalsContact O-CD1 3.26Å; V191-I262 WeakPolarHBondContact O-CD1 3.49Å; V191-I262 WeakPolarHBondContact O-CG1 3.11Å
192F90.3Very high69Low0 Ų075 Ų750%044%0.436CS..THydrogen-bonded Turntrans-104.128.2177.7-68.3-21.6000112.4N190 G194 E195 F197 I214 L217 W252 I253 C256 I262N190-F192 PolarHBondContact O-N 2.9Å; F192-G194 PolarHBondContact O-N 2.86Å; F192-G194 VanDerWaalsContact O-N 3.15Å; F192-E195 HydrophobicContact CB-CB 4.11Å; F192-E195 HydrophobicContact CB-CG 4.42Å; F192-E195 WeakPolarHBondContact O-CB 3.39Å; F192-E195 PolarHBondContact O-N 2.83Å; F192-F197 HydrophobicContact CB-CE2 3.97Å; F192-F197 HydrophobicContact CB-CZ 4.24Å; F192-F197 HydrophobicContact CD1-CZ 4.07Å; F192-F197 AromaticContact CD2-CE2 3.8Å; F192-F197 HydrophobicContact CD2-CE2 3.8Å; F192-F197 AromaticContact CD2-CZ 3.66Å; F192-F197 HydrophobicContact CD2-CZ 3.66Å; F192-F197 HydrophobicContact CE1-CZ 4.3Å; F192-F197 HydrophobicContact CE2-CE1 4.47Å; F192-F197 HydrophobicContact CE2-CE2 4.42Å; F192-F197 AromaticContact CE2-CZ 3.91Å; F192-F197 HydrophobicContact CE2-CZ 3.91Å; F192-F197 AromaticContact CG-CE2 3.93Å; F192-F197 HydrophobicContact CG-CE2 3.93Å; F192-F197 AromaticContact CG-CZ 3.75Å; F192-F197 HydrophobicContact CG-CZ 3.75Å; F192-F197 HydrophobicContact CZ-CZ 4.23Å; F192-I214 HydrophobicContact CD2-CG2 4.49Å; F192-I214 HydrophobicContact CE2-CG1 4.48Å; F192-L217 HydrophobicContact CB-CB 4.2Å; F192-L217 HydrophobicContact CD2-CB 3.57Å; F192-L217 HydrophobicContact CD2-CD1 3.8Å; F192-L217 HydrophobicContact CD2-CG 4.35Å; F192-L217 HydrophobicContact CE2-CB 4.15Å; F192-L217 HydrophobicContact CE2-CD1 3.45Å; F192-L217 VanDerWaalsContact CE2-CD1 3.45Å; F192-L217 HydrophobicContact CE2-CG 4.46Å; F192-L217 HydrophobicContact CG-CB 3.95Å; F192-L217 HydrophobicContact CZ-CD1 3.92Å; F192-L217 PolarHBondContact N-O 3.13Å; F192-W252 AromaticContact CE1-CH2 3.78Å; F192-W252 HydrophobicContact CE1-CH2 3.78Å; F192-W252 HydrophobicContact CE1-CZ2 4.37Å; F192-W252 HydrophobicContact CE1-CZ3 4.1Å; F192-W252 HydrophobicContact CZ-CE3 4.48Å; F192-W252 HydrophobicContact CZ-CH2 4.03Å; F192-W252 AromaticContact CZ-CZ3 3.84Å; F192-W252 HydrophobicContact CZ-CZ3 3.84Å; F192-I253 HydrophobicContact CE2-CD1 4.03Å; F192-I253 HydrophobicContact CZ-CD1 4.11Å; F192-C256 HydrophobicContact CE1-CB 3.85Å; F192-C256 HydrophobicContact CZ-CB 3.63Å; F192-I262 HydrophobicContact CD1-CD1 4.43Å; F192-I262 HydrophobicContact CD1-CG1 4.13Å; F192-I262 HydrophobicContact CE1-CG1 4.32Å
193N85.2Confident71.6Confident126 Ų12674 Ų7467%0.67443%0.431SS*.THydrogen-bonded Turntrans-56.1118.4179.9-174.423.4000112.2N190 E195N190-N193 HydrophobicContact CB-CB 3.84Å; N190-N193 WeakPolarHBondContact O-CB 3.26Å; N190-N193 PolarHBondContact O-N 3.18Å; N193-E195 PolarHBondContact O-N 3.13Å
194G84.8Confident73.9Confident50 Ų5070.8 Ų70.852%0.51541%0.409SS..THydrogen-bonded Turntrans76.5-2.8-177.300000115F192F192-G194 PolarHBondContact O-N 2.86Å; F192-G194 VanDerWaalsContact O-N 3.15Å
195E91.6Very high76.3Confident32 Ų3266.9 Ų66.915%0.1539%0.391CS..  trans-81.9134.7-179.6-58.5-67.8-161.100111.4F192 N193 F197 I220 K227 Y228 I262F192-E195 HydrophobicContact CB-CB 4.11Å; F192-E195 HydrophobicContact CB-CG 4.42Å; F192-E195 WeakPolarHBondContact O-CB 3.39Å; F192-E195 PolarHBondContact O-N 2.83Å; N193-E195 PolarHBondContact O-N 3.13Å; E195-F197 HydrophobicContact CB-CE2 3.71Å; E195-F197 HydrophobicContact CB-CZ 3.88Å; E195-F197 WeakPolarHBondContact O-CD2 3.45Å; E195-F197 WeakPolarHBondContact O-CE2 3.43Å; E195-I220 PolarHBondContact O-N 3.49Å; E195-K227 IonicContact OE1-NZ 2.73Å; E195-K227 PolarHBondContact OE1-NZ 3.02Å; E195-K227 WeakPolarHBondContact OE2-CD 3.33Å; E195-K227 WeakPolarHBondContact OE2-CE 3.4Å; E195-K227 IonicContact OE2-NZ 3.47Å; E195-K227 PolarHBondContact OE2-NZ 3.17Å; E195-Y228 HydrophobicContact CB-CD2 4.44Å; E195-Y228 HydrophobicContact CB-CE2 4.13Å; E195-Y228 HydrophobicContact CG-CE2 4.28Å; E195-I262 HydrophobicContact CG-CD1 4.36Å
196T92.1Very high78.7Confident37 Ų3761.3 Ų61.323%0.22737%0.369CS..EExtended strand (participates in β ladder)trans-113.4131.6-171.161.80000113.2I220 K227 Y228T196-I220 CarbonylContact C-O 3.59Å; T196-I220 VanDerWaalsContact CA-O 3.3Å; T196-I220 WeakPolarHBondContact CA-O 3.37Å; T196-I220 HydrophobicContact CG2-CB 4.42Å; T196-K227 PolarHBondContact O-N 3.29Å; T196-K227 PolarHBondContact OG1-N 2.87Å; T196-Y228 PolarHBondContact O-N 3.46Å
197F93.5Very high81.2Confident0 Ų059.1 Ų59.10%035%0.349CS..EExtended strand (participates in β ladder)trans-124.7142.2-168.9-63.2-80.9000112.7F192 E195 I214 I220 I221 T222 Y228 V230 W252 I253F192-F197 HydrophobicContact CB-CE2 3.97Å; F192-F197 HydrophobicContact CB-CZ 4.24Å; F192-F197 HydrophobicContact CD1-CZ 4.07Å; F192-F197 AromaticContact CD2-CE2 3.8Å; F192-F197 HydrophobicContact CD2-CE2 3.8Å; F192-F197 AromaticContact CD2-CZ 3.66Å; F192-F197 HydrophobicContact CD2-CZ 3.66Å; F192-F197 HydrophobicContact CE1-CZ 4.3Å; F192-F197 HydrophobicContact CE2-CE1 4.47Å; F192-F197 HydrophobicContact CE2-CE2 4.42Å; F192-F197 AromaticContact CE2-CZ 3.91Å; F192-F197 HydrophobicContact CE2-CZ 3.91Å; F192-F197 AromaticContact CG-CE2 3.93Å; F192-F197 HydrophobicContact CG-CE2 3.93Å; F192-F197 AromaticContact CG-CZ 3.75Å; F192-F197 HydrophobicContact CG-CZ 3.75Å; F192-F197 HydrophobicContact CZ-CZ 4.23Å; E195-F197 HydrophobicContact CB-CE2 3.71Å; E195-F197 HydrophobicContact CB-CZ 3.88Å; E195-F197 WeakPolarHBondContact O-CD2 3.45Å; E195-F197 WeakPolarHBondContact O-CE2 3.43Å; F197-I214 HydrophobicContact CB-CD1 4.18Å; F197-I214 HydrophobicContact CB-CG2 4.34Å; F197-I214 HydrophobicContact CD1-CD1 4.29Å; F197-I214 HydrophobicContact CD2-CG2 3.45Å; F197-I214 VanDerWaalsContact CD2-CG2 3.45Å; F197-I214 HydrophobicContact CE2-CG2 3.94Å; F197-I214 HydrophobicContact CG-CD1 4.12Å; F197-I214 HydrophobicContact CG-CG2 3.9Å; F197-I220 PolarHBondContact N-O 3.01Å; F197-I221 CarbonylContact O-C 3.56Å; F197-I221 WeakPolarHBondContact O-CA 3.28Å; F197-T222 PolarHBondContact O-N 3.47Å; F197-Y228 WeakPolarHBondContact CA-O 3.47Å; F197-Y228 HydrophobicContact CD1-CD2 4.08Å; F197-Y228 HydrophobicContact CD1-CG 4.19Å; F197-Y228 AromaticContact CE1-CD2 3.35Å; F197-Y228 HydrophobicContact CE1-CD2 3.35Å; F197-Y228 HydrophobicContact CE1-CE2 4.27Å; F197-Y228 AromaticContact CE1-CG 3.69Å; F197-Y228 HydrophobicContact CE1-CG 3.69Å; F197-Y228 AromaticContact CZ-CD2 3.64Å; F197-Y228 HydrophobicContact CZ-CD2 3.64Å; F197-Y228 HydrophobicContact CZ-CE2 4.23Å; F197-Y228 HydrophobicContact CZ-CG 4.43Å; F197-V230 HydrophobicContact CD1-CG2 4.1Å; F197-W252 HydrophobicContact CE1-CH2 4.27Å; F197-W252 AromaticContact CE1-CZ3 3.84Å; F197-W252 HydrophobicContact CE1-CZ3 3.84Å; F197-W252 HydrophobicContact CZ-CZ3 4.42Å; F197-I253 HydrophobicContact CD1-CD1 4.44Å; F197-I253 HydrophobicContact CE1-CD1 4.18Å
198R89.4Confident83.2Confident66 Ų6658.7 Ų58.725%0.24933%0.332CS..EExtended strand (participates in β ladder)trans-125.8143.3161.7-173.9175.8176.8-171.11.9108.8P226 Y228 L229 V230R198-P226 HydrophobicContact CB-CB 3.77Å; R198-P226 HydrophobicContact CB-CG 3.63Å; R198-Y228 PolarHBondContact N-O 2.94Å; R198-L229 HydrophobicContact CB-CD1 3.96Å; R198-L229 HydrophobicContact CG-CD1 4.11Å; R198-V230 PolarHBondContact O-N 3.19Å
199L90.8Very high85.2Confident17 Ų1759 Ų599%0.08934%0.335CS..EExtended strand (participates in β ladder)trans-117.3129.1-178.5-60.486.6000109F202 L210 I214 I221 V230L199-F202 HydrophobicContact CB-CD2 4.17Å; L199-F202 HydrophobicContact CB-CE2 4.29Å; L199-L210 HydrophobicContact CD2-CB 3.42Å; L199-L210 VanDerWaalsContact CD2-CB 3.42Å; L199-L210 HydrophobicContact CD2-CD1 4.29Å; L199-I214 HydrophobicContact CD1-CD1 4.09Å; L199-I214 HydrophobicContact CD2-CD1 4.12Å; L199-I214 HydrophobicContact CG-CD1 4.32Å; L199-I221 HydrophobicContact CD1-CD1 4.2Å; L199-I221 HydrophobicContact CD1-CG1 4.42Å; L199-I221 HydrophobicContact CD1-CG2 3.83Å; L199-V230 WeakPolarHBondContact CA-O 3.36Å; L199-V230 HydrophobicContact CG-CB 4.14Å; L199-V230 HydrophobicContact CG-CG2 4.26Å
200L87.1Confident86.9Confident34 Ų3452.7 Ų52.718%0.17831%0.306CS..  trans-138.1148178-66.1-180000111.7L229 V230 T231 P232 L237 A239L200-L229 HydrophobicContact CD1-CD1 3.9Å; L200-L229 HydrophobicContact CG-CD1 4.02Å; L200-V230 PolarHBondContact N-O 2.65Å; L200-T231 HydrophobicContact CB-CG2 4.28Å; L200-P232 WeakPolarHBondContact O-CD 3.49Å; L200-L237 HydrophobicContact CB-CD1 3.77Å; L200-L237 HydrophobicContact CD1-CD1 4.44Å; L200-A239 HydrophobicContact CD1-CB 4.41Å
201G82.1Confident87.8Confident54 Ų5448.6 Ų48.656%0.55729%0.286SS*.SBendtrans79.224.3174.200000115.4P232G201-P232 WeakPolarHBondContact O-CG 3.44Å
202F87.1Confident88.1Confident37 Ų3752.6 Ų52.616%0.16230%0.301CS..  trans-115.1150.9177.2-58.6-64.7000111.5L199 T206 L207 L210 V230 T231 P232 P250L199-F202 HydrophobicContact CB-CD2 4.17Å; L199-F202 HydrophobicContact CB-CE2 4.29Å; F202-T206 HydrophobicContact CB-CG2 4.25Å; F202-T206 HydrophobicContact CD1-CG2 3.77Å; F202-T206 HydrophobicContact CE1-CG2 4.48Å; F202-T206 HydrophobicContact CG-CG2 4.2Å; F202-L207 HydrophobicContact CB-CB 4.18Å; F202-L210 HydrophobicContact CD1-CD1 4.19Å; F202-L210 HydrophobicContact CD2-CD1 4.03Å; F202-L210 HydrophobicContact CE1-CD1 3.97Å; F202-L210 HydrophobicContact CE2-CD1 3.8Å; F202-L210 HydrophobicContact CG-CD1 4.22Å; F202-L210 HydrophobicContact CZ-CD1 3.77Å; F202-V230 HydrophobicContact CE2-CB 4.31Å; F202-V230 HydrophobicContact CE2-CG1 4.01Å; F202-V230 WeakPolarHBondContact CE2-O 3.38Å; F202-V230 HydrophobicContact CZ-CG1 4.03Å; F202-T231 VanDerWaalsContact CZ-C 3.4Å; F202-P232 HydrophobicContact CD1-CG 4.01Å; F202-P232 HydrophobicContact CE1-CB 4.41Å; F202-P232 HydrophobicContact CE1-CG 3.68Å; F202-P232 HydrophobicContact CZ-CG 4.32Å; F202-P250 HydrophobicContact CE1-CG 3.52Å; F202-P250 HydrophobicContact CZ-CG 3.5Å
203N84.4Confident88.3Confident104 Ų10453.1 Ų53.156%0.55630%0.304SS*.  trans-75.8162.3168.46715.9000111.3A205 T206 L207N203-A205 VanDerWaalsContact C-N 3.3Å; N203-A205 PolarHBondContact O-N 2.6Å; N203-T206 PolarHBondContact O-N 3.07Å; N203-T206 VanDerWaalsContact O-N 3.07Å; N203-T206 WeakPolarHBondContact OD1-CB 3.4Å; N203-T206 PolarHBondContact OD1-N 3.41Å; N203-T206 PolarHBondContact OD1-OG1 3.07Å; N203-L207 WeakPolarHBondContact O-CB 3.39Å; N203-L207 PolarHBondContact O-N 3.4Å
204S78.2Confident88.7Confident50 Ų5047.1 Ų47.135%0.3527%0.272SS..Hα-helixtrans-52.2-43.3-173.3-171.70000113.6L207 E208S204-L207 PolarHBondContact O-N 3.42Å; S204-E208 VanDerWaalsContact O-CB 3.28Å; S204-E208 WeakPolarHBondContact O-CB 3.45Å; S204-E208 PolarHBondContact O-N 2.88Å
205A81.4Confident89Confident57 Ų5750.5 Ų50.547%0.47128%0.275SS..Hα-helixtrans-69.3-36.7-178.900000113.2N203 K209N203-A205 VanDerWaalsContact C-N 3.3Å; N203-A205 PolarHBondContact O-N 2.6Å; A205-K209 WeakPolarHBondContact O-CB 3.37Å; A205-K209 PolarHBondContact O-N 3.39Å
206T87.4Confident88.9Confident59 Ų5955.2 Ų55.236%0.36229%0.291SS..Hα-helixtrans-73.2-38.9175.5-55.30000111F202 N203 L210F202-T206 HydrophobicContact CB-CG2 4.25Å; F202-T206 HydrophobicContact CD1-CG2 3.77Å; F202-T206 HydrophobicContact CE1-CG2 4.48Å; F202-T206 HydrophobicContact CG-CG2 4.2Å; N203-T206 PolarHBondContact O-N 3.07Å; N203-T206 VanDerWaalsContact O-N 3.07Å; N203-T206 WeakPolarHBondContact OD1-CB 3.4Å; N203-T206 PolarHBondContact OD1-N 3.41Å; N203-T206 PolarHBondContact OD1-OG1 3.07Å; T206-L210 HydrophobicContact CG2-CD1 3.97Å; T206-L210 HydrophobicContact CG2-CG 4.46Å; T206-L210 WeakPolarHBondContact O-CB 3.41Å; T206-L210 WeakPolarHBondContact O-CG 3.49Å; T206-L210 PolarHBondContact O-N 2.93Å
207L87.7Confident88.8Confident55 Ų5553.4 Ų53.429%0.28828%0.28SS..Hα-helixtrans-63.1-52.9176-173150.5000110.5F202 N203 S204 K209 L210 C211F202-L207 HydrophobicContact CB-CB 4.18Å; N203-L207 WeakPolarHBondContact O-CB 3.39Å; N203-L207 PolarHBondContact O-N 3.4Å; S204-L207 PolarHBondContact O-N 3.42Å; L207-K209 VanDerWaalsContact C-N 3.28Å; L207-K209 PolarHBondContact O-N 3.38Å; L207-L210 PolarHBondContact O-N 3.18Å; L207-L210 VanDerWaalsContact O-N 3.13Å; L207-C211 WeakPolarHBondContact O-CB 3.34Å; L207-C211 PolarHBondContact O-N 3.03Å; L207-C211 PolarHBondContact O-SG 2.93Å
208E87.9Confident88.6Confident78 Ų7854.6 Ų54.636%0.36429%0.292SS..Hα-helixtrans-55.4-43.3177.8-172.5-168.5150.400111.8S204 K212S204-E208 VanDerWaalsContact O-CB 3.28Å; S204-E208 WeakPolarHBondContact O-CB 3.45Å; S204-E208 PolarHBondContact O-N 2.88Å; E208-K212 HydrophobicContact CG-CD 4.37Å; E208-K212 WeakPolarHBondContact O-CG 3.43Å; E208-K212 PolarHBondContact O-N 3.43Å; E208-K212 VanDerWaalsContact O-N 3.07Å; E208-K212 WeakPolarHBondContact OE1-CE 3.23Å; E208-K212 IonicContact OE1-NZ 3.36Å; E208-K212 PolarHBondContact OE1-NZ 3.01Å
209K91.8Very high88.7Confident118 Ų11851.7 Ų51.751%0.51328%0.283SS..Hα-helixtrans-62.6-51.1175175.1162.8-179.1160.80112.1A205 L207 C211 K212 D213A205-K209 WeakPolarHBondContact O-CB 3.37Å; A205-K209 PolarHBondContact O-N 3.39Å; L207-K209 VanDerWaalsContact C-N 3.28Å; L207-K209 PolarHBondContact O-N 3.38Å; K209-C211 VanDerWaalsContact C-N 3.28Å; K209-C211 PolarHBondContact O-N 2.86Å; K209-K212 PolarHBondContact O-N 3.11Å; K209-K212 VanDerWaalsContact O-N 3.16Å; K209-D213 WeakPolarHBondContact CE-OD2 3.48Å; K209-D213 WeakPolarHBondContact CG-OD2 3.46Å; K209-D213 WeakPolarHBondContact O-CB 3.37Å; K209-D213 PolarHBondContact O-N 3.28Å
210L92.9Very high88.7Confident4 Ų455.4 Ų55.42%0.02130%0.302CS..Hα-helixtrans-64.2-34.7-178.9-72.2171.2000111.9L199 F202 T206 L207 D213 I214 P250 I253L199-L210 HydrophobicContact CD2-CB 3.42Å; L199-L210 VanDerWaalsContact CD2-CB 3.42Å; L199-L210 HydrophobicContact CD2-CD1 4.29Å; F202-L210 HydrophobicContact CD1-CD1 4.19Å; F202-L210 HydrophobicContact CD2-CD1 4.03Å; F202-L210 HydrophobicContact CE1-CD1 3.97Å; F202-L210 HydrophobicContact CE2-CD1 3.8Å; F202-L210 HydrophobicContact CG-CD1 4.22Å; F202-L210 HydrophobicContact CZ-CD1 3.77Å; T206-L210 HydrophobicContact CG2-CD1 3.97Å; T206-L210 HydrophobicContact CG2-CG 4.46Å; T206-L210 WeakPolarHBondContact O-CB 3.41Å; T206-L210 WeakPolarHBondContact O-CG 3.49Å; T206-L210 PolarHBondContact O-N 2.93Å; L207-L210 PolarHBondContact O-N 3.18Å; L207-L210 VanDerWaalsContact O-N 3.13Å; L210-D213 PolarHBondContact O-N 3.42Å; L210-I214 WeakPolarHBondContact O-CB 3.48Å; L210-I214 WeakPolarHBondContact O-CD1 3.26Å; L210-I214 VanDerWaalsContact O-CG1 3.23Å; L210-I214 WeakPolarHBondContact O-CG1 3.38Å; L210-I214 PolarHBondContact O-N 2.95Å; L210-P250 HydrophobicContact CD1-CB 4.3Å; L210-P250 HydrophobicContact CD1-CG 3.99Å; L210-P250 HydrophobicContact CD2-CB 4.09Å; L210-I253 HydrophobicContact CD2-CB 4.47Å; L210-I253 HydrophobicContact CD2-CG2 4.27Å
211C93Very high88.8Confident23 Ų2356.6 Ų56.616%0.15531%0.308CS..Hα-helixtrans-59.7-48.6171.7-680000111.4L207 K209 I214 Q215 I221L207-C211 WeakPolarHBondContact O-CB 3.34Å; L207-C211 PolarHBondContact O-N 3.03Å; L207-C211 PolarHBondContact O-SG 2.93Å; K209-C211 VanDerWaalsContact C-N 3.28Å; K209-C211 PolarHBondContact O-N 2.86Å; C211-I214 PolarHBondContact O-N 3.08Å; C211-Q215 WeakPolarHBondContact O-CB 3.39Å; C211-Q215 WeakPolarHBondContact O-CG 3.18Å; C211-Q215 PolarHBondContact O-N 2.97Å; C211-Q215 PolarHBondContact O-OE1 3.07Å; C211-I221 HydrophobicContact CB-CD1 3.58Å; C211-I221 VanDerWaalsContact SG-CD1 3.58Å
212K92Very high89Confident103 Ų10355.6 Ų55.645%0.44829%0.291SS..Hα-helixtrans-63.9-40.5176.9-72.4170.5176.41770112.6E208 K209 R216E208-K212 HydrophobicContact CG-CD 4.37Å; E208-K212 WeakPolarHBondContact O-CG 3.43Å; E208-K212 PolarHBondContact O-N 3.43Å; E208-K212 VanDerWaalsContact O-N 3.07Å; E208-K212 WeakPolarHBondContact OE1-CE 3.23Å; E208-K212 IonicContact OE1-NZ 3.36Å; E208-K212 PolarHBondContact OE1-NZ 3.01Å; K209-K212 PolarHBondContact O-N 3.11Å; K209-K212 VanDerWaalsContact O-N 3.16Å; K212-R216 VanDerWaalsContact O-CB 3.23Å; K212-R216 WeakPolarHBondContact O-CB 3.3Å; K212-R216 PolarHBondContact O-N 3.21Å
213D93Very high88.4Confident12 Ų1256.4 Ų56.46%0.06430%0.3CS..Hα-helixtrans-66.4-38.3178.3-71.5-19.8000111.3K209 L210 I253 L257K209-D213 WeakPolarHBondContact CE-OD2 3.48Å; K209-D213 WeakPolarHBondContact CG-OD2 3.46Å; K209-D213 WeakPolarHBondContact O-CB 3.37Å; K209-D213 PolarHBondContact O-N 3.28Å; L210-D213 PolarHBondContact O-N 3.42Å; D213-I253 HydrophobicContact CB-CG2 4.32Å; D213-L257 HydrophobicContact CB-CD2 4.02Å
214I93.4Very high87.9Confident0 Ų056.8 Ų56.80%030%0.297CS..Hα-helixtrans-69.2-47.2174-72165000111.7F192 F197 L199 L210 C211 R216 L217 G218 G219 I221 V230 I253F192-I214 HydrophobicContact CD2-CG2 4.49Å; F192-I214 HydrophobicContact CE2-CG1 4.48Å; F197-I214 HydrophobicContact CB-CD1 4.18Å; F197-I214 HydrophobicContact CB-CG2 4.34Å; F197-I214 HydrophobicContact CD1-CD1 4.29Å; F197-I214 HydrophobicContact CD2-CG2 3.45Å; F197-I214 VanDerWaalsContact CD2-CG2 3.45Å; F197-I214 HydrophobicContact CE2-CG2 3.94Å; F197-I214 HydrophobicContact CG-CD1 4.12Å; F197-I214 HydrophobicContact CG-CG2 3.9Å; L199-I214 HydrophobicContact CD1-CD1 4.09Å; L199-I214 HydrophobicContact CD2-CD1 4.12Å; L199-I214 HydrophobicContact CG-CD1 4.32Å; L210-I214 WeakPolarHBondContact O-CB 3.48Å; L210-I214 WeakPolarHBondContact O-CD1 3.26Å; L210-I214 VanDerWaalsContact O-CG1 3.23Å; L210-I214 WeakPolarHBondContact O-CG1 3.38Å; L210-I214 PolarHBondContact O-N 2.95Å; C211-I214 PolarHBondContact O-N 3.08Å; I214-R216 VanDerWaalsContact C-N 3.3Å; I214-R216 PolarHBondContact O-N 2.93Å; I214-L217 PolarHBondContact O-N 2.99Å; I214-L217 VanDerWaalsContact O-N 3.1Å; I214-G218 PolarHBondContact O-N 2.99Å; I214-G219 PolarHBondContact O-N 3.25Å; I214-I221 HydrophobicContact CG2-CG1 4.18Å; I214-V230 HydrophobicContact CD1-CG2 4.22Å; I214-I253 HydrophobicContact CD1-CD1 4.18Å; I214-I253 HydrophobicContact CG1-CD1 3.99Å; I214-I253 HydrophobicContact CG1-CG2 3.98Å
215Q91.9Very high87.8Confident120 Ų12061.6 Ų61.656%0.56132%0.318SS*.Hα-helixtrans-63.6-35.6179.9-74.5168.8-22.600112.1C211 L217 G218 I221C211-Q215 WeakPolarHBondContact O-CB 3.39Å; C211-Q215 WeakPolarHBondContact O-CG 3.18Å; C211-Q215 PolarHBondContact O-N 2.97Å; C211-Q215 PolarHBondContact O-OE1 3.07Å; Q215-L217 PolarHBondContact O-N 3.49Å; Q215-G218 PolarHBondContact O-N 2.79Å; Q215-I221 HydrophobicContact CG-CD1 4.3Å
216R89Confident88.1Confident131 Ų13159.5 Ų59.549%0.49430%0.3SS..Hα-helixtrans-60.8-26.7173.9170.2172.6-84.4149.5-7.4113.5Y188 K212 I214 L257Y188-R216 HydrophobicContact CD1-CG 4.47Å; Y188-R216 HydrophobicContact CD2-CG 3.6Å; Y188-R216 VanDerWaalsContact CE2-CD 3.47Å; Y188-R216 HydrophobicContact CE2-CG 3.7Å; Y188-R216 HydrophobicContact CG-CG 4.02Å; K212-R216 VanDerWaalsContact O-CB 3.23Å; K212-R216 WeakPolarHBondContact O-CB 3.3Å; K212-R216 PolarHBondContact O-N 3.21Å; I214-R216 VanDerWaalsContact C-N 3.3Å; I214-R216 PolarHBondContact O-N 2.93Å; R216-L257 HydrophobicContact CG-CD1 4.09Å
217L90.8Very high88.2Confident0 Ų060.6 Ų60.60%030%0.3CS..THydrogen-bonded Turntrans-93.54176-67.1167.6000113N190 V191 F192 I214 Q215 C256 L257N190-L217 CarbonylContact C-O 3.51Å; V191-L217 HydrophobicContact CB-CB 4.28Å; V191-L217 HydrophobicContact CB-CD2 3.83Å; V191-L217 HydrophobicContact CG1-CD2 4.42Å; V191-L217 HydrophobicContact CG2-CD2 3.81Å; V191-L217 PolarHBondContact N-O 3.45Å; V191-L217 VanDerWaalsContact N-O 3.12Å; F192-L217 HydrophobicContact CB-CB 4.2Å; F192-L217 HydrophobicContact CD2-CB 3.57Å; F192-L217 HydrophobicContact CD2-CD1 3.8Å; F192-L217 HydrophobicContact CD2-CG 4.35Å; F192-L217 HydrophobicContact CE2-CB 4.15Å; F192-L217 HydrophobicContact CE2-CD1 3.45Å; F192-L217 VanDerWaalsContact CE2-CD1 3.45Å; F192-L217 HydrophobicContact CE2-CG 4.46Å; F192-L217 HydrophobicContact CG-CB 3.95Å; F192-L217 HydrophobicContact CZ-CD1 3.92Å; F192-L217 PolarHBondContact N-O 3.13Å; I214-L217 PolarHBondContact O-N 2.99Å; I214-L217 VanDerWaalsContact O-N 3.1Å; Q215-L217 PolarHBondContact O-N 3.49Å; L217-C256 HydrophobicContact CD1-CB 4.31Å; L217-L257 HydrophobicContact CD1-CB 4.02Å; L217-L257 HydrophobicContact CD1-CD1 4.18Å; L217-L257 HydrophobicContact CD2-CD1 4.04Å; L217-L257 HydrophobicContact CG-CD1 3.98Å
218G89.1Confident88.4Confident24 Ų2458.8 Ų58.825%0.24729%0.289CS..THydrogen-bonded Turntrans83.69.1-178.400000115.2I214 Q215I214-G218 PolarHBondContact O-N 2.99Å; Q215-G218 PolarHBondContact O-N 2.79Å
219G91.6Very high88.6Confident6 Ų655.6 Ų55.66%0.06227%0.274CS..PPolyproline II helixtrans-76.8141-178.700000113.6I214I214-G219 PolarHBondContact O-N 3.25Å
220I90Very high88.6Confident95 Ų9550 Ų5049%0.48725%0.25SS..EExtended strand (participates in β ladder)trans-96.8125.5-176.6-59.2175.3000109.8E195 T196 F197E195-I220 PolarHBondContact O-N 3.49Å; T196-I220 CarbonylContact C-O 3.59Å; T196-I220 VanDerWaalsContact CA-O 3.3Å; T196-I220 WeakPolarHBondContact CA-O 3.37Å; T196-I220 HydrophobicContact CG2-CB 4.42Å; F197-I220 PolarHBondContact N-O 3.01Å
221I91.1Very high88.5Confident59 Ų5949.9 Ų49.930%0.30325%0.25SC..EExtended strand (participates in β ladder)trans-89.9117.5177-52.6-178.9000108.7F197 L199 C211 I214 Q215F197-I221 CarbonylContact O-C 3.56Å; F197-I221 WeakPolarHBondContact O-CA 3.28Å; L199-I221 HydrophobicContact CD1-CD1 4.2Å; L199-I221 HydrophobicContact CD1-CG1 4.42Å; L199-I221 HydrophobicContact CD1-CG2 3.83Å; C211-I221 HydrophobicContact CB-CD1 3.58Å; C211-I221 VanDerWaalsContact SG-CD1 3.58Å; I214-I221 HydrophobicContact CG2-CG1 4.18Å; Q215-I221 HydrophobicContact CG-CD1 4.3Å
222T84.4Confident88.4Confident32 Ų3250.6 Ų50.620%0.19625%0.254CS..  trans-117140-176.1-176.90000112.7F197 K224 P226F197-T222 PolarHBondContact O-N 3.47Å; T222-K224 VanDerWaalsContact CG2-O 3.25Å; T222-K224 WeakPolarHBondContact CG2-O 3.49Å; T222-K224 PolarHBondContact OG1-N 3.38Å; T222-K224 PolarHBondContact OG1-O 3.11Å; T222-P226 HydrophobicContact CG2-CB 3.7Å
223P76.1Confident88.4Confident54 Ų5446.3 Ų46.335%0.35124%0.236SC..SBendtrans-68.5-33.4170.328.1-36.4000113.5F17F17-P223 HydrophobicContact CB-CB 3.63Å; F17-P223 HydrophobicContact CB-CG 4.45Å; F17-P223 HydrophobicContact CD1-CB 3.32Å; F17-P223 HydrophobicContact CD2-CB 3.39Å; F17-P223 HydrophobicContact CE1-CB 3.69Å; F17-P223 HydrophobicContact CE2-CB 3.74Å; F17-P223 WeakPolarHBondContact CE2-O 3.37Å; F17-P223 HydrophobicContact CG-CB 3.15Å; F17-P223 HydrophobicContact CG-CG 4.39Å; F17-P223 HydrophobicContact CZ-CB 3.88Å
224K73.8Confident88.3Confident113 Ų11347 Ų4749%0.49124%0.239SC..SBendtrans-128.8146.2-169.3-62.7-169.8177.2-163.70110.7G15 T222 P226G15-K224 WeakPolarHBondContact O-CE 3.42Å; G15-K224 PolarHBondContact O-NZ 3.18Å; T222-K224 VanDerWaalsContact CG2-O 3.25Å; T222-K224 WeakPolarHBondContact CG2-O 3.49Å; T222-K224 PolarHBondContact OG1-N 3.38Å; T222-K224 PolarHBondContact OG1-O 3.11Å; K224-P226 VanDerWaalsContact C-CD 3.45Å
225N76.3Confident88.1Confident151 Ų15147.1 Ų47.181%0.80724%0.24SC*.SBendtrans44.952.4177.3-5413.1000113.7
226P87.2Confident87.9Confident12 Ų1245.1 Ų45.18%0.07823%0.227CC..  trans-66.3145.8170.433.3-37.2000109.9R198 T222 K224 V245R198-P226 HydrophobicContact CB-CB 3.77Å; R198-P226 HydrophobicContact CB-CG 3.63Å; T222-P226 HydrophobicContact CG2-CB 3.7Å; K224-P226 VanDerWaalsContact C-CD 3.45Å; P226-V245 HydrophobicContact CG-CG1 4.1Å; P226-V245 WeakPolarHBondContact O-CG1 3.44Å
227K89.1Confident87.2Confident83 Ų8342.2 Ų42.236%0.36122%0.221SC..SBendtrans-72.6-35.3166.5-169.9-166.6179.4-159.50110.9E195 T196 E246E195-K227 IonicContact OE1-NZ 2.73Å; E195-K227 PolarHBondContact OE1-NZ 3.02Å; E195-K227 WeakPolarHBondContact OE2-CD 3.33Å; E195-K227 WeakPolarHBondContact OE2-CE 3.4Å; E195-K227 IonicContact OE2-NZ 3.47Å; E195-K227 PolarHBondContact OE2-NZ 3.17Å; T196-K227 PolarHBondContact O-N 3.29Å; T196-K227 PolarHBondContact OG1-N 2.87Å; K227-E246 PolarHBondContact O-N 2.83Å
228Y91.9Very high86Confident17 Ų1744.3 Ų44.37%0.06724%0.235CC..EExtended strand (participates in β ladder)trans-120.9126.4-177.9-62.3-68.2000112.4E195 T196 F197 R198 E246 V248 W252 L265E195-Y228 HydrophobicContact CB-CD2 4.44Å; E195-Y228 HydrophobicContact CB-CE2 4.13Å; E195-Y228 HydrophobicContact CG-CE2 4.28Å; T196-Y228 PolarHBondContact O-N 3.46Å; F197-Y228 WeakPolarHBondContact CA-O 3.47Å; F197-Y228 HydrophobicContact CD1-CD2 4.08Å; F197-Y228 HydrophobicContact CD1-CG 4.19Å; F197-Y228 AromaticContact CE1-CD2 3.35Å; F197-Y228 HydrophobicContact CE1-CD2 3.35Å; F197-Y228 HydrophobicContact CE1-CE2 4.27Å; F197-Y228 AromaticContact CE1-CG 3.69Å; F197-Y228 HydrophobicContact CE1-CG 3.69Å; F197-Y228 AromaticContact CZ-CD2 3.64Å; F197-Y228 HydrophobicContact CZ-CD2 3.64Å; F197-Y228 HydrophobicContact CZ-CE2 4.23Å; F197-Y228 HydrophobicContact CZ-CG 4.43Å; R198-Y228 PolarHBondContact N-O 2.94Å; Y228-E246 CarbonylContact C-O 3.57Å; Y228-E246 WeakPolarHBondContact CA-O 3.1Å; Y228-E246 HydrophobicContact CD1-CB 3.64Å; Y228-E246 HydrophobicContact CE1-CB 3.89Å; Y228-E246 HydrophobicContact CE1-CG 4.4Å; Y228-V248 HydrophobicContact CD1-CG1 3.72Å; Y228-V248 HydrophobicContact CE1-CG1 4.39Å; Y228-W252 HydrophobicContact CD1-CH2 4.18Å; Y228-W252 HydrophobicContact CD2-CH2 4.29Å; Y228-W252 AromaticContact CE1-CH2 3.99Å; Y228-W252 HydrophobicContact CE1-CH2 3.99Å; Y228-W252 HydrophobicContact CE1-CZ2 4.32Å; Y228-W252 HydrophobicContact CE2-CH2 4.08Å; Y228-W252 HydrophobicContact CG-CH2 4.34Å; Y228-W252 AromaticContact CZ-CH2 3.94Å; Y228-L265 HydrophobicContact CE1-CD1 4.3Å
229L91.4Very high84.3Confident11 Ų1145.4 Ų45.46%0.05824%0.242CC..EExtended strand (participates in β ladder)trans-103.4107.5172.2-176.960.6000109.9R198 L200 T231 A239 V245 E246 L247 V248R198-L229 HydrophobicContact CB-CD1 3.96Å; R198-L229 HydrophobicContact CG-CD1 4.11Å; L200-L229 HydrophobicContact CD1-CD1 3.9Å; L200-L229 HydrophobicContact CG-CD1 4.02Å; L229-T231 HydrophobicContact CD2-CG2 4.49Å; L229-T231 HydrophobicContact CG-CG2 4.1Å; L229-A239 WeakPolarHBondContact CD2-O 3.36Å; L229-V245 HydrophobicContact CB-CG1 3.56Å; L229-E246 PolarHBondContact N-O 3.43Å; L229-L247 HydrophobicContact CB-CD1 4.1Å; L229-L247 HydrophobicContact CD2-CD1 3.87Å; L229-L247 HydrophobicContact CG-CD1 3.97Å; L229-V248 PolarHBondContact O-N 3.02Å
230V93Very high82.4Confident0 Ų046.4 Ų46.40%025%0.249CC..EExtended strand (participates in β ladder)trans-83.2120.9178-162.30000109.3F197 R198 L199 L200 F202 I214 V248 P250 I253F197-V230 HydrophobicContact CD1-CG2 4.1Å; R198-V230 PolarHBondContact O-N 3.19Å; L199-V230 WeakPolarHBondContact CA-O 3.36Å; L199-V230 HydrophobicContact CG-CB 4.14Å; L199-V230 HydrophobicContact CG-CG2 4.26Å; L200-V230 PolarHBondContact N-O 2.65Å; F202-V230 HydrophobicContact CE2-CB 4.31Å; F202-V230 HydrophobicContact CE2-CG1 4.01Å; F202-V230 WeakPolarHBondContact CE2-O 3.38Å; F202-V230 HydrophobicContact CZ-CG1 4.03Å; I214-V230 HydrophobicContact CD1-CG2 4.22Å; V230-V248 WeakPolarHBondContact CA-O 3.41Å; V230-V248 HydrophobicContact CB-CG2 4.33Å; V230-V248 HydrophobicContact CG2-CG2 3.88Å; V230-P250 HydrophobicContact CG1-CG 4.48Å; V230-I253 HydrophobicContact CG1-CG1 4.19Å; V230-I253 HydrophobicContact CG2-CD1 4.28Å
231T91Very high80.4Confident2 Ų246.1 Ų46.11%0.01226%0.256CS..  trans-139.7159.2176.555.30000111.1L200 F202 L229 L247 V248 P250 S273L200-T231 HydrophobicContact CB-CG2 4.28Å; F202-T231 VanDerWaalsContact CZ-C 3.4Å; L229-T231 HydrophobicContact CD2-CG2 4.49Å; L229-T231 HydrophobicContact CG-CG2 4.1Å; T231-L247 HydrophobicContact CG2-CD1 4.04Å; T231-L247 WeakPolarHBondContact OG1-CD1 3.32Å; T231-V248 PolarHBondContact N-O 2.69Å; T231-V248 VanDerWaalsContact N-O 3.07Å; T231-P250 WeakPolarHBondContact O-CD 3.34Å; T231-S273 PolarHBondContact O-OG 3Å; T231-S273 VanDerWaalsContact OG1-CB 3.3Å; T231-S273 WeakPolarHBondContact OG1-CB 3.49Å
232P90.7Very high78.6Confident38 Ų3848.9 Ų48.925%0.24727%0.271CS..  trans-49.9145.6169.6-2633.6000112L200 G201 F202 L234 T235 S273L200-P232 WeakPolarHBondContact O-CD 3.49Å; G201-P232 WeakPolarHBondContact O-CG 3.44Å; F202-P232 HydrophobicContact CD1-CG 4.01Å; F202-P232 HydrophobicContact CE1-CB 4.41Å; F202-P232 HydrophobicContact CE1-CG 3.68Å; F202-P232 HydrophobicContact CZ-CG 4.32Å; P232-L234 CarbonylContact O-C 3.56Å; P232-L234 VanDerWaalsContact O-C 3.28Å; P232-L234 PolarHBondContact O-N 3.4Å; P232-T235 PolarHBondContact O-N 2.79Å; P232-S273 PolarHBondContact O-OG 3.09Å
233L91.5Very high77.2Confident12 Ų1253.8 Ų53.86%0.06330%0.296CS..SBendtrans-51-35.6-171.9-175.168.8000113.2I251 L270 R272 S273 Y274 A300 M304L233-I251 HydrophobicContact CD2-CD1 4.46Å; L233-L270 WeakPolarHBondContact CD1-O 3.36Å; L233-L270 HydrophobicContact CD2-CD2 3.93Å; L233-R272 VanDerWaalsContact CD1-O 3.24Å; L233-R272 WeakPolarHBondContact CD1-O 3.44Å; L233-S273 WeakPolarHBondContact O-CA 3.49Å; L233-Y274 HydrophobicContact CD1-CE2 4.44Å; L233-Y274 PolarHBondContact O-N 3.42Å; L233-A300 HydrophobicContact CB-CB 4.36Å; L233-A300 HydrophobicContact CD2-CB 3.67Å; L233-M304 HydrophobicContact CD2-CB 4.48Å; L233-M304 HydrophobicContact CD2-CE 3.72Å; L233-M304 HydrophobicContact CD2-SD 3.99Å; L233-M304 HydrophobicContact CG-CE 4.31Å; L233-M304 HydrophobicContact CG-SD 3.97Å
234L91.4Very high77Confident26 Ų2659.8 Ų59.814%0.13632%0.32CS..EExtended strand (participates in β ladder)trans-110.2114.9162.7-171.573.6000109P232 Y274 L276 M304 I360P232-L234 CarbonylContact O-C 3.56Å; P232-L234 VanDerWaalsContact O-C 3.28Å; P232-L234 PolarHBondContact O-N 3.4Å; L234-Y274 WeakPolarHBondContact CA-O 3.44Å; L234-L276 HydrophobicContact CD1-CB 3.67Å; L234-L276 HydrophobicContact CD1-CD2 4.18Å; L234-L276 HydrophobicContact CD2-CD2 4.39Å; L234-L276 HydrophobicContact CG-CB 4.42Å; L234-M304 HydrophobicContact CB-CB 4.4Å; L234-M304 HydrophobicContact CB-CG 4.38Å; L234-M304 HydrophobicContact CD1-CG 4.45Å; L234-I360 HydrophobicContact CD1-CD1 4.18Å; L234-I360 HydrophobicContact CD1-CG2 3.79Å
235T89.1Confident77.3Confident4 Ų456.5 Ų56.53%0.02531%0.309CS..EExtended strand (participates in β ladder)trans-105.5144.2178.5-176.10000112.1P232 L237 A240 L247 Y274 Y275 L276P232-T235 PolarHBondContact O-N 2.79Å; T235-L237 PolarHBondContact OG1-N 3.11Å; T235-A240 HydrophobicContact CG2-CB 4.41Å; T235-L247 HydrophobicContact CG2-CD2 4.39Å; T235-Y274 PolarHBondContact N-O 3.18Å; T235-Y275 WeakPolarHBondContact O-CA 3.22Å; T235-L276 PolarHBondContact O-N 3.36Å
236R86.5Confident77.9Confident77 Ų7752.4 Ų52.429%0.29129%0.285SS..  trans-98.4-5.4171.7-56.9-54.3-169.5-176.1-1.3112.9P238 Y275 L276 P277 G307R236-P238 WeakPolarHBondContact O-CD 3.5Å; R236-Y275 WeakPolarHBondContact O-CE2 3.34Å; R236-L276 WeakPolarHBondContact CD-O 3.44Å; R236-L276 PolarHBondContact NH1-O 3.26Å; R236-P277 PolarHBondContact NH1-O 3.13Å; R236-G307 PolarHBondContact NH2-O 3.4Å
237L74.8Confident78Confident70 Ų7052.1 Ų52.137%0.36628%0.283SS..  trans-84.7118.9-174.9-61.3176.3000110.4L200 T235 A239 A240 Y275L200-L237 HydrophobicContact CB-CD1 3.77Å; L200-L237 HydrophobicContact CD1-CD1 4.44Å; T235-L237 PolarHBondContact OG1-N 3.11Å; L237-A239 PolarHBondContact O-N 3.13Å; L237-A240 PolarHBondContact O-N 3.47Å; L237-Y275 WeakPolarHBondContact O-CD2 3.38Å
238P66.2Low78.2Confident45 Ų4548.1 Ų48.129%0.29227%0.265SS..G310 helixtrans-69.1-9.7178.2-18.132.6000113.9Y8 R236 A240 S241 Y275Y8-P238 WeakPolarHBondContact OH-CB 3.31Å; Y8-P238 VanDerWaalsContact OH-CG 3.26Å; Y8-P238 WeakPolarHBondContact OH-CG 3.34Å; R236-P238 WeakPolarHBondContact O-CD 3.5Å; P238-A240 PolarHBondContact O-N 3.33Å; P238-S241 WeakPolarHBondContact O-CB 3.37Å; P238-S241 PolarHBondContact O-N 3.02Å; P238-S241 PolarHBondContact O-OG 2.79Å; P238-Y275 HydrophobicContact CB-CE2 4.14Å; P238-Y275 HydrophobicContact CG-CE2 3.92Å
239A53.1Low78.3Confident47 Ų4747.3 Ų47.339%0.38826%0.262SS..G310 helixtrans-57.9-3.2170.900000114.5L200 L229 L237 S241L200-A239 HydrophobicContact CD1-CB 4.41Å; L229-A239 WeakPolarHBondContact CD2-O 3.36Å; L237-A239 PolarHBondContact O-N 3.13Å; A239-S241 VanDerWaalsContact C-N 3.26Å
240A52.4Low78.4Confident26 Ų2647.8 Ų47.822%0.21527%0.266CS..G310 helixtrans-70.6-8.6164.300000114.9T235 L237 P238 L247T235-A240 HydrophobicContact CG2-CB 4.41Å; L237-A240 PolarHBondContact O-N 3.47Å; P238-A240 PolarHBondContact O-N 3.33Å; A240-L247 HydrophobicContact CB-CD1 4.02Å; A240-L247 HydrophobicContact CB-CD2 3.71Å
241S47.3Very low78.4Confident90 Ų9048.6 Ų48.663%0.62927%0.27SS*.G310 helixtrans-96.96.4-171.670.40000116.1P238 A239 N243P238-S241 WeakPolarHBondContact O-CB 3.37Å; P238-S241 PolarHBondContact O-N 3.02Å; P238-S241 PolarHBondContact O-OG 2.79Å; A239-S241 VanDerWaalsContact C-N 3.26Å; S241-N243 PolarHBondContact O-N 3.41Å
242D53.4Low78.5Confident116 Ų11648.6 Ų48.662%0.6227%0.27SS*.  trans-80.9115.6173.9-79.9-38.2000110.5E244 V245D242-E244 PolarHBondContact O-N 2.98Å; D242-V245 PolarHBondContact O-N 2.74Å
243N54.8Low78.7Confident135 Ų13546.8 Ų46.872%0.72226%0.258SS*.THydrogen-bonded Turntrans-61.2-2.3-168.1-75.7-70.1000117.1S241S241-N243 PolarHBondContact O-N 3.41Å
244E71.4Confident78.7Confident180 Ų18049.8 Ų49.884%0.84127%0.271SS*.THydrogen-bonded Turntrans-107-4-174.9-59.1-164.1149.200113.8D242D242-E244 PolarHBondContact O-N 2.98Å
245V81.7Confident78.8Confident44 Ų4450.8 Ų50.827%0.26728%0.276SS..SBendtrans-118.4125.8-171.7-169.10000112P226 L229 D242 L247P226-V245 HydrophobicContact CG-CG1 4.1Å; P226-V245 WeakPolarHBondContact O-CG1 3.44Å; L229-V245 HydrophobicContact CB-CG1 3.56Å; D242-V245 PolarHBondContact O-N 2.74Å; V245-L247 PolarHBondContact O-N 3.08Å
246E87.2Confident79Confident66 Ų6650.6 Ų50.631%0.30828%0.275SS..EExtended strand (participates in β ladder)trans-76.1115.9177.3-77.5-73.6171.900110.8K227 Y228 L229 V248 L265 R272K227-E246 PolarHBondContact O-N 2.83Å; Y228-E246 CarbonylContact C-O 3.57Å; Y228-E246 WeakPolarHBondContact CA-O 3.1Å; Y228-E246 HydrophobicContact CD1-CB 3.64Å; Y228-E246 HydrophobicContact CE1-CB 3.89Å; Y228-E246 HydrophobicContact CE1-CG 4.4Å; L229-E246 PolarHBondContact N-O 3.43Å; E246-V248 PolarHBondContact O-N 2.94Å; E246-L265 HydrophobicContact CB-CD1 4.43Å; E246-L265 HydrophobicContact CG-CD1 4.46Å; E246-R272 IonicContact OE1-NH2 2.74Å; E246-R272 IonicContact OE2-CZ 2.73Å; E246-R272 VanDerWaalsContact OE2-CZ 3.29Å; E246-R272 IonicContact OE2-NH1 2.72Å; E246-R272 PolarHBondContact OE2-NH1 2.99Å; E246-R272 IonicContact OE2-NH2 2.92Å; E246-R272 PolarHBondContact OE2-NH2 3.06Å
247L89.7Confident79.2Confident5 Ų548.6 Ų48.63%0.02627%0.27CS..EExtended strand (participates in β ladder)trans-84.3107.9-177-170.375.1000111.6L229 T231 T235 A240 V245 R272 S273L229-L247 HydrophobicContact CB-CD1 4.1Å; L229-L247 HydrophobicContact CD2-CD1 3.87Å; L229-L247 HydrophobicContact CG-CD1 3.97Å; T231-L247 HydrophobicContact CG2-CD1 4.04Å; T231-L247 WeakPolarHBondContact OG1-CD1 3.32Å; T235-L247 HydrophobicContact CG2-CD2 4.39Å; A240-L247 HydrophobicContact CB-CD1 4.02Å; A240-L247 HydrophobicContact CB-CD2 3.71Å; V245-L247 PolarHBondContact O-N 3.08Å; L247-R272 WeakPolarHBondContact O-CA 3.38Å; L247-S273 WeakPolarHBondContact CD2-O 3.48Å; L247-S273 PolarHBondContact O-N 2.86Å
248V93.6Very high79.9Confident0 Ų049.1 Ų49.10%028%0.284CS..EExtended strand (participates in β ladder)trans-117158.5-172.1-56.40000112.9Y228 L229 V230 T231 E246 W252 L265 S273Y228-V248 HydrophobicContact CD1-CG1 3.72Å; Y228-V248 HydrophobicContact CE1-CG1 4.39Å; L229-V248 PolarHBondContact O-N 3.02Å; V230-V248 WeakPolarHBondContact CA-O 3.41Å; V230-V248 HydrophobicContact CB-CG2 4.33Å; V230-V248 HydrophobicContact CG2-CG2 3.88Å; T231-V248 PolarHBondContact N-O 2.69Å; T231-V248 VanDerWaalsContact N-O 3.07Å; E246-V248 PolarHBondContact O-N 2.94Å; V248-W252 HydrophobicContact CB-CD2 4.37Å; V248-W252 HydrophobicContact CB-CE3 3.92Å; V248-W252 HydrophobicContact CB-CZ3 4.45Å; V248-W252 HydrophobicContact CG1-CD2 4.37Å; V248-W252 HydrophobicContact CG1-CE3 4.11Å; V248-W252 HydrophobicContact CG1-CZ3 4.35Å; V248-W252 HydrophobicContact CG2-CE3 3.95Å; V248-W252 HydrophobicContact CG2-CZ3 4.18Å; V248-L265 HydrophobicContact CG1-CD1 4.27Å; V248-L265 HydrophobicContact CG1-CD2 3.66Å; V248-S273 PolarHBondContact O-OG 3.32Å
249S93.6Very high81Confident0 Ų051.4 Ų51.40%029%0.294CS..  trans-105.3158.3-178.998.80000112.9I251 W252 I253 L270 F271 S273S249-I251 PolarHBondContact O-N 2.86Å; S249-I251 WeakPolarHBondContact OG-CB 3.46Å; S249-I251 PolarHBondContact OG-N 2.86Å; S249-W252 WeakPolarHBondContact O-CB 3.2Å; S249-W252 PolarHBondContact O-N 3.31Å; S249-W252 VanDerWaalsContact O-N 3.09Å; S249-I253 PolarHBondContact O-N 2.85Å; S249-L270 WeakPolarHBondContact CB-O 3.21Å; S249-L270 PolarHBondContact OG-O 3.12Å; S249-F271 PolarHBondContact N-O 2.84Å; S249-S273 VanDerWaalsContact CA-OG 3.3Å; S249-S273 WeakPolarHBondContact CA-OG 3.37Å; S249-S273 VanDerWaalsContact CB-OG 3.23Å; S249-S273 WeakPolarHBondContact CB-OG 3.21Å
250P93.3Very high82.6Confident21 Ų2151.3 Ų51.314%0.13629%0.287CS..Hα-helixtrans-54.7-17.9167.6-30.636.4000115.6F202 L210 V230 T231 K254F202-P250 HydrophobicContact CE1-CG 3.52Å; F202-P250 HydrophobicContact CZ-CG 3.5Å; L210-P250 HydrophobicContact CD1-CB 4.3Å; L210-P250 HydrophobicContact CD1-CG 3.99Å; L210-P250 HydrophobicContact CD2-CB 4.09Å; V230-P250 HydrophobicContact CG1-CG 4.48Å; T231-P250 WeakPolarHBondContact O-CD 3.34Å; P250-K254 WeakPolarHBondContact O-CD 3.07Å; P250-K254 WeakPolarHBondContact O-CG 3.47Å; P250-K254 PolarHBondContact O-N 3.47Å
251I92.8Very high84.4Confident17 Ų1752.8 Ų52.89%0.08730%0.296CS..Hα-helixtrans-77.2-38.1177.6-59.3173.6000109.7L233 S249 K254 N255 L270 F271 T296 A300L233-I251 HydrophobicContact CD2-CD1 4.46Å; S249-I251 PolarHBondContact O-N 2.86Å; S249-I251 WeakPolarHBondContact OG-CB 3.46Å; S249-I251 PolarHBondContact OG-N 2.86Å; I251-K254 PolarHBondContact O-N 3.49Å; I251-N255 WeakPolarHBondContact O-CB 3.27Å; I251-N255 PolarHBondContact O-N 3.33Å; I251-L270 HydrophobicContact CD1-CB 3.99Å; I251-L270 HydrophobicContact CD1-CD1 4.38Å; I251-L270 HydrophobicContact CG2-CB 4.24Å; I251-F271 HydrophobicContact CG2-CD1 4.27Å; I251-F271 HydrophobicContact CG2-CE1 4.31Å; I251-T296 HydrophobicContact CG1-CG2 4.24Å; I251-A300 HydrophobicContact CD1-CB 3.75Å
252W94.9Very high86.4Confident1 Ų151.9 Ų51.90%0.00428%0.283CS..Hα-helixtrans-63.5-46.7174.1-178.674.3000111.9F192 F197 Y228 V248 S249 K254 N255 C256 I262 A263 L265 F271F192-W252 AromaticContact CE1-CH2 3.78Å; F192-W252 HydrophobicContact CE1-CH2 3.78Å; F192-W252 HydrophobicContact CE1-CZ2 4.37Å; F192-W252 HydrophobicContact CE1-CZ3 4.1Å; F192-W252 HydrophobicContact CZ-CE3 4.48Å; F192-W252 HydrophobicContact CZ-CH2 4.03Å; F192-W252 AromaticContact CZ-CZ3 3.84Å; F192-W252 HydrophobicContact CZ-CZ3 3.84Å; F197-W252 HydrophobicContact CE1-CH2 4.27Å; F197-W252 AromaticContact CE1-CZ3 3.84Å; F197-W252 HydrophobicContact CE1-CZ3 3.84Å; F197-W252 HydrophobicContact CZ-CZ3 4.42Å; Y228-W252 HydrophobicContact CD1-CH2 4.18Å; Y228-W252 HydrophobicContact CD2-CH2 4.29Å; Y228-W252 AromaticContact CE1-CH2 3.99Å; Y228-W252 HydrophobicContact CE1-CH2 3.99Å; Y228-W252 HydrophobicContact CE1-CZ2 4.32Å; Y228-W252 HydrophobicContact CE2-CH2 4.08Å; Y228-W252 HydrophobicContact CG-CH2 4.34Å; Y228-W252 AromaticContact CZ-CH2 3.94Å; V248-W252 HydrophobicContact CB-CD2 4.37Å; V248-W252 HydrophobicContact CB-CE3 3.92Å; V248-W252 HydrophobicContact CB-CZ3 4.45Å; V248-W252 HydrophobicContact CG1-CD2 4.37Å; V248-W252 HydrophobicContact CG1-CE3 4.11Å; V248-W252 HydrophobicContact CG1-CZ3 4.35Å; V248-W252 HydrophobicContact CG2-CE3 3.95Å; V248-W252 HydrophobicContact CG2-CZ3 4.18Å; S249-W252 WeakPolarHBondContact O-CB 3.2Å; S249-W252 PolarHBondContact O-N 3.31Å; S249-W252 VanDerWaalsContact O-N 3.09Å; W252-K254 VanDerWaalsContact C-N 3.3Å; W252-K254 PolarHBondContact O-N 3Å; W252-N255 PolarHBondContact O-N 2.58Å; W252-N255 VanDerWaalsContact O-N 3.1Å; W252-C256 PolarHBondContact O-N 2.77Å; W252-C256 PolarHBondContact O-SG 2.79Å; W252-I262 HydrophobicContact CH2-CG2 4.47Å; W252-I262 HydrophobicContact CZ2-CG2 3.7Å; W252-A263 PolarHBondContact NE1-O 3.43Å; W252-L265 HydrophobicContact CD2-CD2 3.95Å; W252-L265 HydrophobicContact CG-CD2 3.88Å; W252-L265 HydrophobicContact CZ2-CD2 4.32Å; W252-F271 HydrophobicContact CB-CB 3.77Å; W252-F271 HydrophobicContact CB-CD1 3.98Å; W252-F271 HydrophobicContact CB-CG 4.03Å; W252-F271 WeakPolarHBondContact CB-O 3.3Å; W252-F271 AromaticContact CD1-CD2 3.92Å; W252-F271 AromaticContact CD1-CG 3.72Å; W252-F271 HydrophobicContact CG-CB 4.05Å; W252-F271 HydrophobicContact CG-CG 4.27Å
253I94.3Very high88.2Confident0 Ų046.7 Ų46.70%026%0.257CS..Hα-helixtrans-55.4-45.7174.9-57.3-65.2000111F192 F197 L210 D213 I214 V230 S249 C256 L257F192-I253 HydrophobicContact CE2-CD1 4.03Å; F192-I253 HydrophobicContact CZ-CD1 4.11Å; F197-I253 HydrophobicContact CD1-CD1 4.44Å; F197-I253 HydrophobicContact CE1-CD1 4.18Å; L210-I253 HydrophobicContact CD2-CB 4.47Å; L210-I253 HydrophobicContact CD2-CG2 4.27Å; D213-I253 HydrophobicContact CB-CG2 4.32Å; I214-I253 HydrophobicContact CD1-CD1 4.18Å; I214-I253 HydrophobicContact CG1-CD1 3.99Å; I214-I253 HydrophobicContact CG1-CG2 3.98Å; V230-I253 HydrophobicContact CG1-CG1 4.19Å; V230-I253 HydrophobicContact CG2-CD1 4.28Å; S249-I253 PolarHBondContact O-N 2.85Å; I253-C256 PolarHBondContact O-N 3.43Å; I253-L257 WeakPolarHBondContact O-CB 3.46Å; I253-L257 PolarHBondContact O-N 2.95Å
254K92.3Very high89.9Confident76 Ų7644 Ų4433%0.3325%0.246SC..Hα-helixtrans-66.8-35.7177.2-73.3169.8-176.3177.50113.3P250 I251 W252 L257 A258 T296P250-K254 WeakPolarHBondContact O-CD 3.07Å; P250-K254 WeakPolarHBondContact O-CG 3.47Å; P250-K254 PolarHBondContact O-N 3.47Å; I251-K254 PolarHBondContact O-N 3.49Å; W252-K254 VanDerWaalsContact C-N 3.3Å; W252-K254 PolarHBondContact O-N 3Å; K254-L257 PolarHBondContact O-N 3.17Å; K254-A258 WeakPolarHBondContact O-CB 3.29Å; K254-A258 PolarHBondContact O-N 3.02Å; K254-T296 HydrophobicContact CD-CG2 4.34Å
255N92Very high90.8Very high47 Ų4736.4 Ų36.425%0.25121%0.212SC..Hα-helixtrans-68.5-44.1177.3-169.1-88.8000110.7I251 W252 L257 A258 N259 A263 F271I251-N255 WeakPolarHBondContact O-CB 3.27Å; I251-N255 PolarHBondContact O-N 3.33Å; W252-N255 PolarHBondContact O-N 2.58Å; W252-N255 VanDerWaalsContact O-N 3.1Å; N255-L257 VanDerWaalsContact C-N 3.29Å; N255-L257 PolarHBondContact O-N 2.71Å; N255-A258 PolarHBondContact O-N 3.07Å; N255-N259 WeakPolarHBondContact O-CB 3.11Å; N255-N259 PolarHBondContact O-N 2.99Å; N255-N259 PolarHBondContact OD1-ND2 3.23Å; N255-A263 VanDerWaalsContact OD1-CB 3.31Å; N255-A263 WeakPolarHBondContact OD1-CB 3.45Å; N255-F271 HydrophobicContact CB-CE1 3.65Å; N255-F271 HydrophobicContact CB-CZ 3.9Å; N255-F271 VanDerWaalsContact CG-CZ 3.48Å
256C93.5Very high91Very high0 Ų039.3 Ų39.30%023%0.225CC..Hα-helixtrans-61.6-37.8174.6-58.10000112.1F192 L217 W252 I253 N260 S261 A263F192-C256 HydrophobicContact CE1-CB 3.85Å; F192-C256 HydrophobicContact CZ-CB 3.63Å; L217-C256 HydrophobicContact CD1-CB 4.31Å; W252-C256 PolarHBondContact O-N 2.77Å; W252-C256 PolarHBondContact O-SG 2.79Å; I253-C256 PolarHBondContact O-N 3.43Å; C256-N260 WeakPolarHBondContact O-CA 3.37Å; C256-N260 PolarHBondContact O-N 3.43Å; C256-S261 WeakPolarHBondContact CA-O 3.36Å; C256-S261 VanDerWaalsContact CB-O 3.3Å; C256-S261 WeakPolarHBondContact CB-O 3.38Å; C256-S261 PolarHBondContact O-N 2.86Å; C256-A263 PolarHBondContact SG-N 3.06Å; C256-A263 VanDerWaalsContact SG-N 3.36Å
257L90.8Very high90.9Very high34 Ų3438.8 Ų38.818%0.17824%0.238CC..Hα-helixtrans-68.2-36.5175.3-176.164.5000113.3Y188 D213 R216 L217 I253 K254 N255Y188-L257 HydrophobicContact CE1-CD1 4.16Å; D213-L257 HydrophobicContact CB-CD2 4.02Å; R216-L257 HydrophobicContact CG-CD1 4.09Å; L217-L257 HydrophobicContact CD1-CB 4.02Å; L217-L257 HydrophobicContact CD1-CD1 4.18Å; L217-L257 HydrophobicContact CD2-CD1 4.04Å; L217-L257 HydrophobicContact CG-CD1 3.98Å; I253-L257 WeakPolarHBondContact O-CB 3.46Å; I253-L257 PolarHBondContact O-N 2.95Å; K254-L257 PolarHBondContact O-N 3.17Å; N255-L257 VanDerWaalsContact C-N 3.29Å; N255-L257 PolarHBondContact O-N 2.71Å
258A89.5Confident90.9Very high82 Ų8239.6 Ų39.668%0.67824%0.244SC*.Hα-helixtrans-76.4-36.8179.500000112.5K254 N255K254-A258 WeakPolarHBondContact O-CB 3.29Å; K254-A258 PolarHBondContact O-N 3.02Å; N255-A258 PolarHBondContact O-N 3.07Å
259N88.9Confident90.8Very high92 Ų9241.2 Ų41.249%0.49226%0.255SS..Hα-helixtrans-97.82-175.3-63.8-20.8000113.7N255 S261N255-N259 WeakPolarHBondContact O-CB 3.11Å; N255-N259 PolarHBondContact O-N 2.99Å; N255-N259 PolarHBondContact OD1-ND2 3.23Å; N259-S261 PolarHBondContact O-N 3.47Å; N259-S261 VanDerWaalsContact O-N 3.11Å; N259-S261 PolarHBondContact O-OG 3.03Å
260N87Confident90.7Very high45 Ų4541.4 Ų41.424%0.24126%0.256CS..THydrogen-bonded Turntrans42.944.8-175.1-169.779.2000112.9Y188 E189 V191 C256Y188-N260 WeakPolarHBondContact CA-OD1 3.46Å; E189-N260 PolarHBondContact N-OD1 3.06Å; E189-N260 VanDerWaalsContact N-OD1 3.11Å; E189-N260 PolarHBondContact OE2-ND2 3.17Å; V191-N260 HydrophobicContact CG2-CB 4.47Å; V191-N260 WeakPolarHBondContact CG2-O 3.41Å; C256-N260 WeakPolarHBondContact O-CA 3.37Å; C256-N260 PolarHBondContact O-N 3.43Å
261S90.4Very high90.7Very high57 Ų5741.2 Ų41.240%0.39925%0.252SS..SBendtrans-160.5152.1-174.846.20000110.8C256 N259 A263C256-S261 WeakPolarHBondContact CA-O 3.36Å; C256-S261 VanDerWaalsContact CB-O 3.3Å; C256-S261 WeakPolarHBondContact CB-O 3.38Å; C256-S261 PolarHBondContact O-N 2.86Å; N259-S261 PolarHBondContact O-N 3.47Å; N259-S261 VanDerWaalsContact O-N 3.11Å; N259-S261 PolarHBondContact O-OG 3.03Å; S261-A263 PolarHBondContact O-N 3.22Å
262I90.3Very high90.7Very high71 Ų7142.5 Ų42.536%0.36426%0.256SS..  trans-74109.9175.3-54.6-174000108.3V191 F192 E195 W252V191-I262 HydrophobicContact CG1-CG1 3.83Å; V191-I262 VanDerWaalsContact O-CD1 3.26Å; V191-I262 WeakPolarHBondContact O-CD1 3.49Å; V191-I262 WeakPolarHBondContact O-CG1 3.11Å; F192-I262 HydrophobicContact CD1-CD1 4.43Å; F192-I262 HydrophobicContact CD1-CG1 4.13Å; F192-I262 HydrophobicContact CE1-CG1 4.32Å; E195-I262 HydrophobicContact CG-CD1 4.36Å; W252-I262 HydrophobicContact CH2-CG2 4.47Å; W252-I262 HydrophobicContact CZ2-CG2 3.7Å
263A89.9Confident90.6Very high8 Ų842.5 Ų42.57%0.06626%0.256CS..  trans-68.1136.6177.600000111.2W252 N255 C256 S261 L265 F271W252-A263 PolarHBondContact NE1-O 3.43Å; N255-A263 VanDerWaalsContact OD1-CB 3.31Å; N255-A263 WeakPolarHBondContact OD1-CB 3.45Å; C256-A263 PolarHBondContact SG-N 3.06Å; C256-A263 VanDerWaalsContact SG-N 3.36Å; S261-A263 PolarHBondContact O-N 3.22Å; A263-L265 PolarHBondContact O-N 2.75Å; A263-F271 HydrophobicContact CB-CD2 4.45Å; A263-F271 HydrophobicContact CB-CE2 3.92Å; A263-F271 HydrophobicContact CB-CZ 4.25Å
264P91.8Very high90.4Very high78 Ų7843.1 Ų43.151%0.50626%0.259SS..  trans-63130174.225.3-32.9000110.4D266 G267 F271P264-D266 WeakPolarHBondContact CB-OD1 3.42Å; P264-D266 PolarHBondContact O-N 2.98Å; P264-G267 PolarHBondContact O-N 2.86Å; P264-F271 VanDerWaalsContact O-CD2 3.3Å; P264-F271 WeakPolarHBondContact O-CD2 3.3Å
265L89.4Confident90.3Very high21 Ų2142.7 Ų42.711%0.1126%0.256CS..THydrogen-bonded Turntrans-68.9-14.5-173.7-74.3172.7000114.1Y228 E246 V248 W252 A263 F271 R272Y228-L265 HydrophobicContact CE1-CD1 4.3Å; E246-L265 HydrophobicContact CB-CD1 4.43Å; E246-L265 HydrophobicContact CG-CD1 4.46Å; V248-L265 HydrophobicContact CG1-CD1 4.27Å; V248-L265 HydrophobicContact CG1-CD2 3.66Å; W252-L265 HydrophobicContact CD2-CD2 3.95Å; W252-L265 HydrophobicContact CG-CD2 3.88Å; W252-L265 HydrophobicContact CZ2-CD2 4.32Å; A263-L265 PolarHBondContact O-N 2.75Å; L265-F271 HydrophobicContact CD2-CB 4.3Å; L265-R272 HydrophobicContact CB-CG 4.35Å; L265-R272 HydrophobicContact CD2-CG 4.47Å
266D86.3Confident90.3Very high104 Ų10440.5 Ų40.556%0.55624%0.244SC*.THydrogen-bonded Turntrans-86.9-23.7172.349.6-65.1000112.6P264 S268 A419P264-D266 WeakPolarHBondContact CB-OD1 3.42Å; P264-D266 PolarHBondContact O-N 2.98Å; D266-S268 PolarHBondContact O-N 3.48Å; D266-S268 VanDerWaalsContact O-N 3.11Å; D266-A419 HydrophobicContact CB-CB 3.85Å
267G85.3Confident90Very high55 Ų5541.3 Ų41.357%0.56725%0.249SC*.SBendtrans-66.7-11.6-17800000115.4P264P264-G267 PolarHBondContact O-N 2.86Å
268S89.3Confident89.8Confident23 Ų2346.4 Ų46.416%0.16127%0.272CS..  trans-156.7134.4165.6179.20000111.7D266 L270 F271D266-S268 PolarHBondContact O-N 3.48Å; D266-S268 VanDerWaalsContact O-N 3.11Å; S268-L270 PolarHBondContact O-N 2.86Å; S268-L270 PolarHBondContact OG-N 3.33Å; S268-F271 WeakPolarHBondContact O-CB 3.23Å; S268-F271 PolarHBondContact O-N 2.83Å
269P90.3Very high89.8Confident34 Ų3447.7 Ų47.722%0.22128%0.276CS..THydrogen-bonded Turntrans-65.7-3.1171.829.9-36000113.4Y274 T353 V357P269-Y274 WeakPolarHBondContact O-CE2 3.28Å; P269-Y274 PolarHBondContact O-OH 2.86Å; P269-T353 WeakPolarHBondContact CG-OG1 3.45Å; P269-V357 HydrophobicContact CB-CG2 4.21Å
270L91.7Very high89.9Confident4 Ų445.6 Ų45.62%0.02126%0.263CS..THydrogen-bonded Turntrans-88.9-8.6171.7-58.9-175.4000113.4L233 S249 I251 S268 E297 L301 M304L233-L270 WeakPolarHBondContact CD1-O 3.36Å; L233-L270 HydrophobicContact CD2-CD2 3.93Å; S249-L270 WeakPolarHBondContact CB-O 3.21Å; S249-L270 PolarHBondContact OG-O 3.12Å; I251-L270 HydrophobicContact CD1-CB 3.99Å; I251-L270 HydrophobicContact CD1-CD1 4.38Å; I251-L270 HydrophobicContact CG2-CB 4.24Å; S268-L270 PolarHBondContact O-N 2.86Å; S268-L270 PolarHBondContact OG-N 3.33Å; L270-E297 HydrophobicContact CD1-CB 3.82Å; L270-E297 HydrophobicContact CD1-CG 3.94Å; L270-L301 HydrophobicContact CD2-CD2 3.84Å; L270-L301 HydrophobicContact CD2-CG 3.98Å; L270-M304 HydrophobicContact CD2-CE 4.49Å
271F93.9Very high90.3Very high16 Ų1647.6 Ų47.67%0.0727%0.27CS..SBendtrans-82.8-29.9-177.1-67.2-19.1000113.9S249 I251 W252 N255 A263 P264 L265 S268S249-F271 PolarHBondContact N-O 2.84Å; I251-F271 HydrophobicContact CG2-CD1 4.27Å; I251-F271 HydrophobicContact CG2-CE1 4.31Å; W252-F271 HydrophobicContact CB-CB 3.77Å; W252-F271 HydrophobicContact CB-CD1 3.98Å; W252-F271 HydrophobicContact CB-CG 4.03Å; W252-F271 WeakPolarHBondContact CB-O 3.3Å; W252-F271 AromaticContact CD1-CD2 3.92Å; W252-F271 AromaticContact CD1-CG 3.72Å; W252-F271 HydrophobicContact CG-CB 4.05Å; W252-F271 HydrophobicContact CG-CG 4.27Å; N255-F271 HydrophobicContact CB-CE1 3.65Å; N255-F271 HydrophobicContact CB-CZ 3.9Å; N255-F271 VanDerWaalsContact CG-CZ 3.48Å; A263-F271 HydrophobicContact CB-CD2 4.45Å; A263-F271 HydrophobicContact CB-CE2 3.92Å; A263-F271 HydrophobicContact CB-CZ 4.25Å; P264-F271 VanDerWaalsContact O-CD2 3.3Å; P264-F271 WeakPolarHBondContact O-CD2 3.3Å; L265-F271 HydrophobicContact CD2-CB 4.3Å; S268-F271 WeakPolarHBondContact O-CB 3.23Å; S268-F271 PolarHBondContact O-N 2.83Å
272R92.7Very high90.6Very high45 Ų4545.8 Ų45.817%0.1726%0.257CS..BIsolated β-bridgetrans-89.9146.4173.2-64.1177.5165-73.61.2109.4L233 E246 L247 L265 Y274L233-R272 VanDerWaalsContact CD1-O 3.24Å; L233-R272 WeakPolarHBondContact CD1-O 3.44Å; E246-R272 IonicContact OE1-NH2 2.74Å; E246-R272 IonicContact OE2-CZ 2.73Å; E246-R272 VanDerWaalsContact OE2-CZ 3.29Å; E246-R272 IonicContact OE2-NH1 2.72Å; E246-R272 PolarHBondContact OE2-NH1 2.99Å; E246-R272 IonicContact OE2-NH2 2.92Å; E246-R272 PolarHBondContact OE2-NH2 3.06Å; L247-R272 WeakPolarHBondContact O-CA 3.38Å; L265-R272 HydrophobicContact CB-CG 4.35Å; L265-R272 HydrophobicContact CD2-CG 4.47Å; R272-Y274 VanDerWaalsContact O-CE2 3.24Å; R272-Y274 WeakPolarHBondContact O-CE2 3.18Å
273S92Very high90.9Very high0 Ų042.4 Ų42.40%024%0.239CC..  trans-93.8162.4168.9-66.40000110.7T231 P232 L233 L247 V248 S249T231-S273 PolarHBondContact O-OG 3Å; T231-S273 VanDerWaalsContact OG1-CB 3.3Å; T231-S273 WeakPolarHBondContact OG1-CB 3.49Å; P232-S273 PolarHBondContact O-OG 3.09Å; L233-S273 WeakPolarHBondContact O-CA 3.49Å; L247-S273 WeakPolarHBondContact CD2-O 3.48Å; L247-S273 PolarHBondContact O-N 2.86Å; V248-S273 PolarHBondContact O-OG 3.32Å; S249-S273 VanDerWaalsContact CA-OG 3.3Å; S249-S273 WeakPolarHBondContact CA-OG 3.37Å; S249-S273 VanDerWaalsContact CB-OG 3.23Å; S249-S273 WeakPolarHBondContact CB-OG 3.21Å
274Y91.7Very high91.1Very high14 Ų1445.4 Ų45.46%0.05526%0.264CS..EExtended strand (participates in β ladder)trans-128.8128.8-173.9-58.5-75.1000111.3L233 L234 T235 P269 R272 M304 V357 R361L233-Y274 HydrophobicContact CD1-CE2 4.44Å; L233-Y274 PolarHBondContact O-N 3.42Å; L234-Y274 WeakPolarHBondContact CA-O 3.44Å; T235-Y274 PolarHBondContact N-O 3.18Å; P269-Y274 WeakPolarHBondContact O-CE2 3.28Å; P269-Y274 PolarHBondContact O-OH 2.86Å; R272-Y274 VanDerWaalsContact O-CE2 3.24Å; R272-Y274 WeakPolarHBondContact O-CE2 3.18Å; Y274-M304 HydrophobicContact CD2-SD 3.95Å; Y274-V357 HydrophobicContact CD1-CG1 4.14Å; Y274-V357 HydrophobicContact CD2-CG2 4.23Å; Y274-V357 HydrophobicContact CE1-CG1 3.49Å; Y274-V357 VanDerWaalsContact CE1-CG1 3.49Å; Y274-V357 HydrophobicContact CE2-CB 4.44Å; Y274-V357 HydrophobicContact CE2-CG1 4Å; Y274-V357 HydrophobicContact CE2-CG2 3.63Å; Y274-V357 VanDerWaalsContact CZ-CG1 3.4Å; Y274-R361 HydrophobicContact CD1-CG 3.82Å; Y274-R361 HydrophobicContact CE1-CG 4.07Å
275Y90Very high91.3Very high67 Ų6745.1 Ų45.126%0.26328%0.276SS..EExtended strand (participates in β ladder)trans-80.3133.4173173.9-101000111T235 R236 L237 P238 P277T235-Y275 WeakPolarHBondContact O-CA 3.22Å; R236-Y275 WeakPolarHBondContact O-CE2 3.34Å; L237-Y275 WeakPolarHBondContact O-CD2 3.38Å; P238-Y275 HydrophobicContact CB-CE2 4.14Å; P238-Y275 HydrophobicContact CG-CE2 3.92Å; Y275-P277 HydrophobicContact CE1-CG 3.71Å
276L90.5Very high91.6Very high0 Ų044.3 Ų44.30%027%0.271CS..  trans-144.4122.3169.9-173.668.9000109.7L234 T235 R236 E280 P282 A308 I360L234-L276 HydrophobicContact CD1-CB 3.67Å; L234-L276 HydrophobicContact CD1-CD2 4.18Å; L234-L276 HydrophobicContact CD2-CD2 4.39Å; L234-L276 HydrophobicContact CG-CB 4.42Å; T235-L276 PolarHBondContact O-N 3.36Å; R236-L276 WeakPolarHBondContact CD-O 3.44Å; R236-L276 PolarHBondContact NH1-O 3.26Å; L276-E280 HydrophobicContact CD1-CB 3.82Å; L276-E280 HydrophobicContact CG-CB 4.3Å; L276-P282 HydrophobicContact CD1-CG 4.41Å; L276-P282 HydrophobicContact CD2-CG 4.48Å; L276-A308 HydrophobicContact CD2-CB 4.19Å; L276-I360 HydrophobicContact CB-CG2 4.12Å; L276-I360 HydrophobicContact CD1-CG2 4.32Å; L276-I360 HydrophobicContact CD2-CG2 4.39Å
277P88.2Confident92.2Very high17 Ų1739.9 Ų39.911%0.1125%0.248CC..  trans-54.7147170.5-23.933.3000112.2R236 Y275 S279 E280R236-P277 PolarHBondContact NH1-O 3.13Å; Y275-P277 HydrophobicContact CE1-CG 3.71Å; P277-S279 VanDerWaalsContact C-N 3.26Å; P277-S279 PolarHBondContact O-N 3.34Å; P277-E280 HydrophobicContact CB-CB 4.49Å; P277-E280 HydrophobicContact CB-CG 4.13Å; P277-E280 WeakPolarHBondContact CD-OE2 3.24Å; P277-E280 HydrophobicContact CG-CG 4.23Å; P277-E280 PolarHBondContact O-N 2.97Å; P277-E280 VanDerWaalsContact O-N 3.13Å
278E85.9Confident92.8Very high141 Ų14137.3 Ų37.366%0.65922%0.221SC*.THydrogen-bonded Turntrans-66.3-29.7-179.2-178.5154.7-137.500113.2E280 K281E278-E280 PolarHBondContact O-N 2.99Å; E278-K281 WeakPolarHBondContact O-CE 3.48Å; E278-K281 PolarHBondContact O-NZ 2.65Å
279S90.1Very high93.1Very high110 Ų11036.2 Ų36.277%0.76921%0.214SC*.THydrogen-bonded Turntrans-64.5-20.5173.450.70000114.3P277P277-S279 VanDerWaalsContact C-N 3.26Å; P277-S279 PolarHBondContact O-N 3.34Å
280E91.3Very high93.4Very high48 Ų4834.8 Ų34.822%0.22420%0.204CC..  trans-94.7124.3-174.4-68.5178.4-170.200111.2L276 P277 E278 R363L276-E280 HydrophobicContact CD1-CB 3.82Å; L276-E280 HydrophobicContact CG-CB 4.3Å; P277-E280 HydrophobicContact CB-CB 4.49Å; P277-E280 HydrophobicContact CB-CG 4.13Å; P277-E280 WeakPolarHBondContact CD-OE2 3.24Å; P277-E280 HydrophobicContact CG-CG 4.23Å; P277-E280 PolarHBondContact O-N 2.97Å; P277-E280 VanDerWaalsContact O-N 3.13Å; E278-E280 PolarHBondContact O-N 2.99Å; E280-R363 IonicContact OE1-CZ 2.74Å; E280-R363 IonicContact OE1-NH1 3.72Å; E280-R363 PolarHBondContact OE1-NH1 2.65Å; E280-R363 WeakPolarHBondContact OE2-CB 3.24Å; E280-R363 WeakPolarHBondContact OE2-CD 3.44Å; E280-R363 WeakPolarHBondContact OE2-CG 3.42Å; E280-R363 IonicContact OE2-CZ 2.7Å; E280-R363 IonicContact OE2-NE 2.6Å; E280-R363 IonicContact OE2-NH1 3.78Å; E280-R363 PolarHBondContact OE2-NH1 2.84Å
281K94.9Very high93.5Very high87 Ų8735.5 Ų35.538%0.37821%0.21SC..  trans-128.664.7-178.3-57-61.1177.5-1430110.7E278 L283 A284 G307 A308E278-K281 WeakPolarHBondContact O-CE 3.48Å; E278-K281 PolarHBondContact O-NZ 2.65Å; K281-L283 PolarHBondContact O-N 2.86Å; K281-A284 HydrophobicContact CB-CB 4.1Å; K281-A284 WeakPolarHBondContact O-CB 3.37Å; K281-A284 PolarHBondContact O-N 3.01Å; K281-G307 PolarHBondContact NZ-O 2.9Å; K281-A308 CarbonylContact C-O 3.5Å; K281-A308 VanDerWaalsContact CA-O 3.27Å; K281-A308 WeakPolarHBondContact CA-O 3.24Å
282P96.3Very high93.4Very high18 Ų1837.3 Ų37.312%0.11722%0.218CC..THydrogen-bonded Turntrans-61.6-19.2-171.925.4-35.4000114.6L276 A308 C359 R365L276-P282 HydrophobicContact CD1-CG 4.41Å; L276-P282 HydrophobicContact CD2-CG 4.48Å; P282-A308 WeakPolarHBondContact CD-O 3.3Å; P282-A308 HydrophobicContact CG-CB 4.16Å; P282-C359 WeakPolarHBondContact CB-O 3.4Å; P282-C359 WeakPolarHBondContact CG-O 3.36Å; P282-R365 WeakPolarHBondContact O-CB 3.39Å; P282-R365 PolarHBondContact O-N 3.1Å
283L97Very high93.2Very high1 Ų135.9 Ų35.91%0.00521%0.213CC..THydrogen-bonded Turntrans-111.321.4178.2-63.4178.9000113.3K281 G285 C286 L288 A308 G309 A310 W355 L356 C359 R365K281-L283 PolarHBondContact O-N 2.86Å; L283-G285 PolarHBondContact O-N 3.33Å; L283-C286 HydrophobicContact CB-CB 4.29Å; L283-C286 WeakPolarHBondContact O-CB 3.42Å; L283-C286 PolarHBondContact O-N 2.88Å; L283-L288 HydrophobicContact CD1-CD1 4.35Å; L283-A308 HydrophobicContact CB-CB 4.38Å; L283-A308 HydrophobicContact CD1-CB 4.19Å; L283-A308 HydrophobicContact CG-CB 4.38Å; L283-A308 PolarHBondContact N-O 2.95Å; L283-G309 CarbonylContact O-C 3.42Å; L283-A310 HydrophobicContact CB-CB 3.9Å; L283-A310 WeakPolarHBondContact O-CA 3.31Å; L283-A310 PolarHBondContact O-N 3.33Å; L283-W355 HydrophobicContact CD1-CZ3 4.39Å; L283-W355 HydrophobicContact CD2-CH2 3.61Å; L283-W355 HydrophobicContact CD2-CZ2 4.02Å; L283-W355 HydrophobicContact CD2-CZ3 4.22Å; L283-L356 HydrophobicContact CD1-CD1 3.4Å; L283-L356 VanDerWaalsContact CD1-CD1 3.4Å; L283-C359 HydrophobicContact CD1-CB 4.22Å; L283-C359 HydrophobicContact CD2-CB 3.91Å; L283-C359 HydrophobicContact CG-CB 4.1Å; L283-R365 HydrophobicContact CD2-CB 4.25Å; L283-R365 HydrophobicContact CD2-CG 4.06Å
284A95.3Very high92.7Very high70 Ų7042.6 Ų42.658%0.57924%0.244SC*.THydrogen-bonded Turntrans-51.8126.8172.100000111.4K281 C286 G309K281-A284 HydrophobicContact CB-CB 4.1Å; K281-A284 WeakPolarHBondContact O-CB 3.37Å; K281-A284 PolarHBondContact O-N 3.01Å; A284-C286 VanDerWaalsContact C-N 3.31Å; A284-C286 PolarHBondContact O-N 3.36Å; A284-G309 WeakPolarHBondContact CA-O 3.45Å
285G94.7Very high91.9Very high73 Ų7346.5 Ų46.575%0.75327%0.273SS*.THydrogen-bonded Turntrans84.1-7-178.100000115.3L283L283-G285 PolarHBondContact O-N 3.33Å
286C97.2Very high91.6Very high3 Ų346.3 Ų46.32%0.0228%0.279CS..  trans-75.3142.3169.7-64.50000111.3L283 A284 L288 A310 K311L283-C286 HydrophobicContact CB-CB 4.29Å; L283-C286 WeakPolarHBondContact O-CB 3.42Å; L283-C286 PolarHBondContact O-N 2.88Å; A284-C286 VanDerWaalsContact C-N 3.31Å; A284-C286 PolarHBondContact O-N 3.36Å; C286-L288 HydrophobicContact CB-CD2 4.31Å; C286-A310 HydrophobicContact CB-CB 4.24Å; C286-A310 WeakPolarHBondContact O-CA 3.32Å; C286-K311 PolarHBondContact O-N 3.08Å
287V97.6Very high91.5Very high12 Ų1249.4 Ų49.47%0.07329%0.294CS..EExtended strand (participates in β ladder)trans-115.6117.6167.3-178.50000107.4K311 Q313 L325 A326 T328 H329V287-K311 CarbonylContact C-O 3.51Å; V287-K311 WeakPolarHBondContact CA-O 3.31Å; V287-K311 HydrophobicContact CG2-CB 4.39Å; V287-Q313 HydrophobicContact CG1-CG 3.9Å; V287-L325 HydrophobicContact CG1-CB 4.13Å; V287-L325 HydrophobicContact CG2-CB 4Å; V287-L325 HydrophobicContact CG2-CD1 3.94Å; V287-A326 WeakPolarHBondContact CB-O 3.39Å; V287-T328 HydrophobicContact CB-CG2 4.22Å; V287-T328 HydrophobicContact CG2-CG2 4.49Å; V287-T328 PolarHBondContact N-OG1 3.17Å; V287-T328 PolarHBondContact O-N 2.96Å; V287-T328 PolarHBondContact O-OG1 3.19Å; V287-H329 PolarHBondContact O-N 2.95Å
288L97.6Very high91.7Very high0 Ų052.4 Ų52.40%030%0.303CS..EExtended strand (participates in β ladder)trans-110.6136.6-176.1-55.4-178.6000110.7L283 C286 A305 A310 K311 V312 Q313 H329 I331 W355L283-L288 HydrophobicContact CD1-CD1 4.35Å; C286-L288 HydrophobicContact CB-CD2 4.31Å; L288-A305 HydrophobicContact CD1-CB 3.88Å; L288-A310 HydrophobicContact CD1-CB 3.87Å; L288-A310 HydrophobicContact CG-CB 4.08Å; L288-K311 PolarHBondContact N-O 3Å; L288-V312 WeakPolarHBondContact O-CA 3.18Å; L288-Q313 PolarHBondContact O-N 3.26Å; L288-H329 HydrophobicContact CD2-CB 3.79Å; L288-I331 HydrophobicContact CD1-CD1 4.03Å; L288-W355 HydrophobicContact CD1-CZ3 4.36Å; L288-W355 HydrophobicContact CD2-CH2 4.22Å; L288-W355 HydrophobicContact CD2-CZ3 3.82Å
289C96.5Very high91.9Very high0 Ų050.5 Ų50.50%030%0.296CS..EExtended strand (participates in β ladder)trans-110.4140.5165.7-176.50000108.5Q313 L316 T327 H329 L330 I331 K339C289-Q313 WeakPolarHBondContact CA-O 3.39Å; C289-L316 HydrophobicContact CB-CD1 4.28Å; C289-T327 HydrophobicContact CB-CG2 3.62Å; C289-H329 PolarHBondContact N-O 3.05Å; C289-L330 HydrophobicContact CB-CD1 3.97Å; C289-I331 PolarHBondContact O-N 2.95Å; C289-K339 PolarHBondContact SG-NZ 3.42Å
290F96.1Very high92Very high5 Ų545.8 Ų45.82%0.02226%0.264CS..EExtended strand (participates in β ladder)trans-105.8145.4174.8-70.2-75.3000110.8F293 L301 A305 V312 I331 K339 L356F290-F293 HydrophobicContact CB-CD2 4.19Å; F290-F293 HydrophobicContact CD1-CD2 4Å; F290-F293 HydrophobicContact CD1-CE2 4.12Å; F290-L301 HydrophobicContact CD1-CB 4.31Å; F290-L301 HydrophobicContact CD1-CD1 4.28Å; F290-L301 HydrophobicContact CE1-CB 3.77Å; F290-L301 HydrophobicContact CE1-CD1 4.24Å; F290-L301 HydrophobicContact CE1-CD2 4.15Å; F290-L301 HydrophobicContact CE1-CG 4.29Å; F290-L301 HydrophobicContact CE2-CB 4.41Å; F290-L301 HydrophobicContact CZ-CB 3.83Å; F290-A305 HydrophobicContact CE2-CB 4.41Å; F290-A305 HydrophobicContact CZ-CB 4.21Å; F290-V312 HydrophobicContact CD2-CG1 3.71Å; F290-V312 HydrophobicContact CE2-CG1 3.7Å; F290-V312 HydrophobicContact CE2-CG2 4.05Å; F290-I331 CarbonylContact C-O 3.45Å; F290-I331 WeakPolarHBondContact CA-O 3.39Å; F290-I331 HydrophobicContact CD1-CB 3.76Å; F290-I331 HydrophobicContact CD1-CG2 4.01Å; F290-I331 HydrophobicContact CE1-CB 3.8Å; F290-I331 HydrophobicContact CE1-CD1 3.78Å; F290-I331 HydrophobicContact CE1-CG1 4.32Å; F290-I331 HydrophobicContact CE1-CG2 3.92Å; F290-I331 HydrophobicContact CZ-CD1 4.25Å; F290-K339 PolarHBondContact O-NZ 2.85Å; F290-L356 HydrophobicContact CE1-CD2 4.34Å; F290-L356 HydrophobicContact CZ-CD2 4.08Å
291S94.1Very high92.1Very high19 Ų1943.5 Ų43.513%0.13325%0.254CS..  trans-137147.6176.3-165.20000110.9F293 I331S291-F293 WeakPolarHBondContact O-CD2 3.16Å; S291-F293 WeakPolarHBondContact O-CE2 3.14Å; S291-F293 PolarHBondContact O-N 3.4Å; S291-I331 PolarHBondContact N-O 2.98Å
292Q91.2Very high92.1Very high53 Ų5340.4 Ų40.425%0.24824%0.243CC..SBendtrans62.33176.8-51.6148.8-200117.4H294 H333 S334 Q336Q292-H294 PolarHBondContact O-CE1 2.99Å; Q292-H294 PolarHBondContact O-ND1 3.2Å; Q292-H333 HydrophobicContact CB-CB 4.09Å; Q292-S334 PolarHBondContact NE2-O 2.98Å; Q292-S334 PolarHBondContact OE1-O 2.91Å; Q292-S334 VanDerWaalsContact OE1-O 3.08Å; Q292-Q336 PolarHBondContact NE2-O 2.95Å
293F90.1Very high91.9Very high16 Ų1645.6 Ų45.67%0.0727%0.265CS..  trans-90.2135.2174-58.7-73.6000111.8F290 S291 R298 L301 I331 L332 H333 T353F290-F293 HydrophobicContact CB-CD2 4.19Å; F290-F293 HydrophobicContact CD1-CD2 4Å; F290-F293 HydrophobicContact CD1-CE2 4.12Å; S291-F293 WeakPolarHBondContact O-CD2 3.16Å; S291-F293 WeakPolarHBondContact O-CE2 3.14Å; S291-F293 PolarHBondContact O-N 3.4Å; F293-R298 HydrophobicContact CB-CB 3.91Å; F293-R298 HydrophobicContact CB-CG 4.41Å; F293-R298 WeakPolarHBondContact O-CD 3.45Å; F293-L301 HydrophobicContact CB-CD1 4.13Å; F293-L301 HydrophobicContact CD1-CD1 3.56Å; F293-L301 HydrophobicContact CD2-CD1 3.82Å; F293-L301 HydrophobicContact CE1-CD1 3.92Å; F293-L301 HydrophobicContact CE2-CD1 4.16Å; F293-L301 HydrophobicContact CG-CD1 3.52Å; F293-L301 HydrophobicContact CZ-CD1 4.22Å; F293-I331 HydrophobicContact CE2-CG2 3.99Å; F293-I331 HydrophobicContact CZ-CG2 4.24Å; F293-L332 VanDerWaalsContact CZ-C 3.48Å; F293-H333 HydrophobicContact CE1-CB 4.1Å; F293-H333 HydrophobicContact CZ-CB 4.19Å; F293-T353 HydrophobicContact CE1-CG2 3.51Å; F293-T353 HydrophobicContact CE2-CG2 4.32Å; F293-T353 HydrophobicContact CZ-CG2 3.36Å
294H81.3Confident91.8Very high140 Ų14045.6 Ų45.665%0.64827%0.265SS*.  trans-99.1143.1-174.2-61.294.2000112Q292 T296 E297 R298Q292-H294 PolarHBondContact O-CE1 2.99Å; Q292-H294 PolarHBondContact O-ND1 3.2Å; H294-T296 PolarHBondContact O-N 3.21Å; H294-E297 PolarHBondContact O-N 2.83Å; H294-R298 PolarHBondContact O-N 2.77Å
295S74.7Confident91.9Very high96 Ų9642.2 Ų42.267%0.67124%0.238SC*.Hα-helixtrans22.3-89.8171.4-55.90000116.7I299S295-I299 WeakPolarHBondContact O-CD1 3.23Å; S295-I299 VanDerWaalsContact O-CG1 3.29Å; S295-I299 WeakPolarHBondContact O-CG1 3.19Å; S295-I299 PolarHBondContact O-N 3.4Å; S295-I299 VanDerWaalsContact O-N 3.16Å
296T83.3Confident92Very high63 Ų6343.6 Ų43.639%0.38723%0.227SC..Hα-helixtrans-63.3-45.9-174.7-63.40000112.6I251 K254 H294 I299 A300I251-T296 HydrophobicContact CG1-CG2 4.24Å; K254-T296 HydrophobicContact CD-CG2 4.34Å; H294-T296 PolarHBondContact O-N 3.21Å; T296-I299 PolarHBondContact O-N 2.86Å; T296-A300 PolarHBondContact O-N 2.85Å; T296-A300 VanDerWaalsContact O-N 3.07Å
297E88.2Confident91.8Very high66 Ų6644.1 Ų44.131%0.30823%0.232SC..Hα-helixtrans-64.7-45-176.7-57.9179.4127.400110.5L270 H294 I299 A300 L301L270-E297 HydrophobicContact CD1-CB 3.82Å; L270-E297 HydrophobicContact CD1-CG 3.94Å; H294-E297 PolarHBondContact O-N 2.83Å; E297-I299 VanDerWaalsContact C-N 3.33Å; E297-I299 PolarHBondContact O-N 2.78Å; E297-A300 PolarHBondContact O-N 2.91Å; E297-L301 WeakPolarHBondContact O-CB 3.44Å; E297-L301 WeakPolarHBondContact O-CG 3.32Å; E297-L301 PolarHBondContact O-N 3.47Å
298R92.1Very high91.8Very high79 Ų7943.5 Ų43.530%0.29823%0.229SC..Hα-helixtrans-62.7-39.2179.9-172.2174.8171.4-152.1-5.9112.1F293 H294 S302 D314F293-R298 HydrophobicContact CB-CB 3.91Å; F293-R298 HydrophobicContact CB-CG 4.41Å; F293-R298 WeakPolarHBondContact O-CD 3.45Å; H294-R298 PolarHBondContact O-N 2.77Å; R298-S302 VanDerWaalsContact O-CB 3.29Å; R298-S302 WeakPolarHBondContact O-CB 2.94Å; R298-S302 PolarHBondContact O-N 3.39Å; R298-S302 PolarHBondContact O-OG 3.44Å; R298-D314 IonicContact CZ-OD1 2.77Å; R298-D314 IonicContact CZ-OD2 3.29Å; R298-D314 IonicContact NH2-OD1 3.45Å; R298-D314 PolarHBondContact NH2-OD1 3.39Å; R298-D314 IonicContact NH2-OD2 3.24Å; R298-D314 PolarHBondContact NH2-OD2 2.95Å
299I90.6Very high91.7Very high102 Ų10244.6 Ų44.652%0.52324%0.24SC..Hα-helixtrans-64-47.6174-69.6165.7000110.3S295 T296 E297 S302 Q303S295-I299 WeakPolarHBondContact O-CD1 3.23Å; S295-I299 VanDerWaalsContact O-CG1 3.29Å; S295-I299 WeakPolarHBondContact O-CG1 3.19Å; S295-I299 PolarHBondContact O-N 3.4Å; S295-I299 VanDerWaalsContact O-N 3.16Å; T296-I299 PolarHBondContact O-N 2.86Å; E297-I299 VanDerWaalsContact C-N 3.33Å; E297-I299 PolarHBondContact O-N 2.78Å; I299-S302 PolarHBondContact O-N 3.39Å; I299-Q303 HydrophobicContact CG2-CG 4.46Å; I299-Q303 WeakPolarHBondContact O-CG 3.25Å; I299-Q303 PolarHBondContact O-N 2.96Å
300A91Very high91.7Very high11 Ų1145 Ų459%0.09124%0.243CC..Hα-helixtrans-66.5-42.8-178.400000112.6L233 I251 T296 E297 S302 Q303 M304L233-A300 HydrophobicContact CB-CB 4.36Å; L233-A300 HydrophobicContact CD2-CB 3.67Å; I251-A300 HydrophobicContact CD1-CB 3.75Å; T296-A300 PolarHBondContact O-N 2.85Å; T296-A300 VanDerWaalsContact O-N 3.07Å; E297-A300 PolarHBondContact O-N 2.91Å; A300-S302 VanDerWaalsContact C-N 3.31Å; A300-S302 PolarHBondContact O-N 3.32Å; A300-Q303 PolarHBondContact O-N 3.17Å; A300-M304 VanDerWaalsContact O-CB 3.26Å; A300-M304 WeakPolarHBondContact O-CB 3.46Å; A300-M304 PolarHBondContact O-N 3.26Å
301L94.3Very high91.8Very high0 Ų051 Ų510%027%0.269CS..Hα-helixtrans-57.5-42.3171-81.1166.7000111.8L270 F290 F293 E297 M304 A305 T353 L356L270-L301 HydrophobicContact CD2-CD2 3.84Å; L270-L301 HydrophobicContact CD2-CG 3.98Å; F290-L301 HydrophobicContact CD1-CB 4.31Å; F290-L301 HydrophobicContact CD1-CD1 4.28Å; F290-L301 HydrophobicContact CE1-CB 3.77Å; F290-L301 HydrophobicContact CE1-CD1 4.24Å; F290-L301 HydrophobicContact CE1-CD2 4.15Å; F290-L301 HydrophobicContact CE1-CG 4.29Å; F290-L301 HydrophobicContact CE2-CB 4.41Å; F290-L301 HydrophobicContact CZ-CB 3.83Å; F293-L301 HydrophobicContact CB-CD1 4.13Å; F293-L301 HydrophobicContact CD1-CD1 3.56Å; F293-L301 HydrophobicContact CD2-CD1 3.82Å; F293-L301 HydrophobicContact CE1-CD1 3.92Å; F293-L301 HydrophobicContact CE2-CD1 4.16Å; F293-L301 HydrophobicContact CG-CD1 3.52Å; F293-L301 HydrophobicContact CZ-CD1 4.22Å; E297-L301 WeakPolarHBondContact O-CB 3.44Å; E297-L301 WeakPolarHBondContact O-CG 3.32Å; E297-L301 PolarHBondContact O-N 3.47Å; L301-M304 HydrophobicContact CD2-CE 3.95Å; L301-M304 PolarHBondContact O-N 2.74Å; L301-A305 WeakPolarHBondContact O-CB 3.28Å; L301-A305 PolarHBondContact O-N 3.2Å; L301-T353 HydrophobicContact CD1-CG2 4.19Å; L301-T353 HydrophobicContact CD2-CG2 3.96Å; L301-L356 HydrophobicContact CD2-CD2 3.89Å
302S95.1Very high91.9Very high22 Ų2251.9 Ų51.915%0.15427%0.274CS..Hα-helixtrans-67.5-44178.1-58.50000112R298 I299 A300 M304 A305 I306R298-S302 VanDerWaalsContact O-CB 3.29Å; R298-S302 WeakPolarHBondContact O-CB 2.94Å; R298-S302 PolarHBondContact O-N 3.39Å; R298-S302 PolarHBondContact O-OG 3.44Å; I299-S302 PolarHBondContact O-N 3.39Å; A300-S302 VanDerWaalsContact C-N 3.31Å; A300-S302 PolarHBondContact O-N 3.32Å; S302-M304 VanDerWaalsContact C-N 3.34Å; S302-M304 PolarHBondContact O-N 3.39Å; S302-A305 PolarHBondContact O-N 3.45Å; S302-I306 WeakPolarHBondContact O-CB 3.32Å; S302-I306 WeakPolarHBondContact O-CD1 3.34Å; S302-I306 VanDerWaalsContact O-CG1 3.22Å; S302-I306 WeakPolarHBondContact O-CG1 3.42Å; S302-I306 PolarHBondContact O-N 3.37Å
303Q92.9Very high92Very high126 Ų12650.8 Ų50.859%0.58927%0.268SS*.Hα-helixtrans-61.9-41.6174.8-73.9173.8-21.800111.8I299 A300 I306 G307I299-Q303 HydrophobicContact CG2-CG 4.46Å; I299-Q303 WeakPolarHBondContact O-CG 3.25Å; I299-Q303 PolarHBondContact O-N 2.96Å; A300-Q303 PolarHBondContact O-N 3.17Å; Q303-I306 PolarHBondContact O-N 3.01Å; Q303-G307 PolarHBondContact O-N 2.77Å
304M94.2Very high92.1Very high1 Ų154.7 Ų54.71%0.00529%0.29CS..Hα-helixtrans-63.4-46.1176.8-178.8159.96400111.7L233 L234 L270 Y274 A300 L301 S302 G307 A308 L356 V357 I360L233-M304 HydrophobicContact CD2-CB 4.48Å; L233-M304 HydrophobicContact CD2-CE 3.72Å; L233-M304 HydrophobicContact CD2-SD 3.99Å; L233-M304 HydrophobicContact CG-CE 4.31Å; L233-M304 HydrophobicContact CG-SD 3.97Å; L234-M304 HydrophobicContact CB-CB 4.4Å; L234-M304 HydrophobicContact CB-CG 4.38Å; L234-M304 HydrophobicContact CD1-CG 4.45Å; L270-M304 HydrophobicContact CD2-CE 4.49Å; Y274-M304 HydrophobicContact CD2-SD 3.95Å; A300-M304 VanDerWaalsContact O-CB 3.26Å; A300-M304 WeakPolarHBondContact O-CB 3.46Å; A300-M304 PolarHBondContact O-N 3.26Å; L301-M304 HydrophobicContact CD2-CE 3.95Å; L301-M304 PolarHBondContact O-N 2.74Å; S302-M304 VanDerWaalsContact C-N 3.34Å; S302-M304 PolarHBondContact O-N 3.39Å; M304-G307 PolarHBondContact O-N 3.18Å; M304-A308 WeakPolarHBondContact O-CB 3.28Å; M304-A308 PolarHBondContact O-N 3.46Å; M304-L356 HydrophobicContact CE-CD2 3.92Å; M304-L356 HydrophobicContact CE-CG 4.11Å; M304-L356 HydrophobicContact CG-CD2 4.49Å; M304-L356 HydrophobicContact CG-CG 4.44Å; M304-V357 HydrophobicContact CE-CG2 3.99Å; M304-V357 HydrophobicContact SD-CG2 4.41Å; M304-I360 HydrophobicContact CG-CD1 3.22Å; M304-I360 HydrophobicContact SD-CD1 3.88Å
305A96.8Very high92.7Very high0 Ų051.7 Ų51.70%028%0.281CS..Hα-helixtrans-61.7-47.2174.500000113.3L288 F290 L301 S302 A308 G309 A310 V312 L356L288-A305 HydrophobicContact CD1-CB 3.88Å; F290-A305 HydrophobicContact CE2-CB 4.41Å; F290-A305 HydrophobicContact CZ-CB 4.21Å; L301-A305 WeakPolarHBondContact O-CB 3.28Å; L301-A305 PolarHBondContact O-N 3.2Å; S302-A305 PolarHBondContact O-N 3.45Å; A305-A308 CarbonylContact O-C 3.26Å; A305-A308 PolarHBondContact O-N 2.97Å; A305-G309 PolarHBondContact O-N 2.86Å; A305-A310 HydrophobicContact CB-CB 4.26Å; A305-A310 WeakPolarHBondContact O-CB 3.02Å; A305-A310 PolarHBondContact O-N 2.91Å; A305-V312 HydrophobicContact CB-CG2 3.6Å; A305-L356 HydrophobicContact CB-CD1 4.21Å; A305-L356 HydrophobicContact CB-CD2 4.25Å
306I96.6Very high93.6Very high102 Ų10247.9 Ų47.952%0.52325%0.254SS..Hα-helixtrans-63.1-43.2177.7-68.7164.8000110.5S302 Q303 A308 G309 A310 V312S302-I306 WeakPolarHBondContact O-CB 3.32Å; S302-I306 WeakPolarHBondContact O-CD1 3.34Å; S302-I306 VanDerWaalsContact O-CG1 3.22Å; S302-I306 WeakPolarHBondContact O-CG1 3.42Å; S302-I306 PolarHBondContact O-N 3.37Å; Q303-I306 PolarHBondContact O-N 3.01Å; I306-A308 VanDerWaalsContact C-N 3.26Å; I306-A308 PolarHBondContact O-N 2.98Å; I306-G309 PolarHBondContact O-N 3.38Å; I306-A310 WeakPolarHBondContact CA-O 3.33Å; I306-V312 HydrophobicContact CD1-CG2 4.42Å; I306-V312 HydrophobicContact CG1-CB 4.42Å; I306-V312 HydrophobicContact CG1-CG2 3.91Å
307G93.9Very high94.1Very high13 Ų1346.1 Ų46.113%0.13424%0.244CC..Hα-helixtrans-62.7-31.7176.600000113.6R236 K281 Q303 M304 G309R236-G307 PolarHBondContact NH2-O 3.4Å; K281-G307 PolarHBondContact NZ-O 2.9Å; Q303-G307 PolarHBondContact O-N 2.77Å; M304-G307 PolarHBondContact O-N 3.18Å; G307-G309 VanDerWaalsContact C-N 3.28Å
308A96.5Very high94.3Very high0 Ų049.6 Ų49.60%025%0.254CS..THydrogen-bonded Turntrans-79.1-1.117200000114.4L276 K281 P282 L283 M304 A305 I306 I360L276-A308 HydrophobicContact CD2-CB 4.19Å; K281-A308 CarbonylContact C-O 3.5Å; K281-A308 VanDerWaalsContact CA-O 3.27Å; K281-A308 WeakPolarHBondContact CA-O 3.24Å; P282-A308 WeakPolarHBondContact CD-O 3.3Å; P282-A308 HydrophobicContact CG-CB 4.16Å; L283-A308 HydrophobicContact CB-CB 4.38Å; L283-A308 HydrophobicContact CD1-CB 4.19Å; L283-A308 HydrophobicContact CG-CB 4.38Å; L283-A308 PolarHBondContact N-O 2.95Å; M304-A308 WeakPolarHBondContact O-CB 3.28Å; M304-A308 PolarHBondContact O-N 3.46Å; A305-A308 CarbonylContact O-C 3.26Å; A305-A308 PolarHBondContact O-N 2.97Å; I306-A308 VanDerWaalsContact C-N 3.26Å; I306-A308 PolarHBondContact O-N 2.98Å; A308-I360 HydrophobicContact CB-CD1 3.99Å; A308-I360 HydrophobicContact CB-CG1 3.86Å
309G96.2Very high94.3Very high23 Ų2352.1 Ų52.124%0.23727%0.267CS..THydrogen-bonded Turntrans93.93.3175.800000115.9L283 A284 A305 I306 G307L283-G309 CarbonylContact O-C 3.42Å; A284-G309 WeakPolarHBondContact CA-O 3.45Å; A305-G309 PolarHBondContact O-N 2.86Å; I306-G309 PolarHBondContact O-N 3.38Å; G307-G309 VanDerWaalsContact C-N 3.28Å
310A97.5Very high94.3Very high7 Ų751 Ų516%0.05827%0.268CS..  trans-76153.9173.300000111.6L283 C286 L288 A305 I306L283-A310 HydrophobicContact CB-CB 3.9Å; L283-A310 WeakPolarHBondContact O-CA 3.31Å; L283-A310 PolarHBondContact O-N 3.33Å; C286-A310 HydrophobicContact CB-CB 4.24Å; C286-A310 WeakPolarHBondContact O-CA 3.32Å; L288-A310 HydrophobicContact CD1-CB 3.87Å; L288-A310 HydrophobicContact CG-CB 4.08Å; A305-A310 HydrophobicContact CB-CB 4.26Å; A305-A310 WeakPolarHBondContact O-CB 3.02Å; A305-A310 PolarHBondContact O-N 2.91Å; I306-A310 WeakPolarHBondContact CA-O 3.33Å
311K96.9Very high94Very high132 Ų13257.1 Ų57.157%0.57429%0.293SS*.EExtended strand (participates in β ladder)trans-88.3142.5159.9-63.8-177.7179.6-177.10108.7C286 V287 L288 L325C286-K311 PolarHBondContact O-N 3.08Å; V287-K311 CarbonylContact C-O 3.51Å; V287-K311 WeakPolarHBondContact CA-O 3.31Å; V287-K311 HydrophobicContact CG2-CB 4.39Å; L288-K311 PolarHBondContact N-O 3Å; K311-L325 HydrophobicContact CD-CD1 3.42Å; K311-L325 VanDerWaalsContact CD-CD1 3.42Å
312V96.7Very high93.6Very high38 Ų3863.4 Ų63.423%0.2333%0.327CS..EExtended strand (participates in β ladder)trans-119137.5178179.10000108.9L288 F290 A305 I306L288-V312 WeakPolarHBondContact O-CA 3.18Å; F290-V312 HydrophobicContact CD2-CG1 3.71Å; F290-V312 HydrophobicContact CE2-CG1 3.7Å; F290-V312 HydrophobicContact CE2-CG2 4.05Å; A305-V312 HydrophobicContact CB-CG2 3.6Å; I306-V312 HydrophobicContact CD1-CG2 4.42Å; I306-V312 HydrophobicContact CG1-CB 4.42Å; I306-V312 HydrophobicContact CG1-CG2 3.91Å
313Q94.1Very high93.2Very high29 Ų2970.5 Ų70.514%0.13636%0.363CS..EExtended strand (participates in β ladder)trans-143.4150176.762.7-178.851.300112.4V287 L288 C289 V315 L325 T327V287-Q313 HydrophobicContact CG1-CG 3.9Å; L288-Q313 PolarHBondContact O-N 3.26Å; C289-Q313 WeakPolarHBondContact CA-O 3.39Å; Q313-V315 PolarHBondContact NE2-O 2.76Å; Q313-L325 PolarHBondContact NE2-O 3.32Å; Q313-L325 VanDerWaalsContact OE1-N 3.16Å; Q313-L325 PolarHBondContact OE1-O 2.83Å; Q313-T327 PolarHBondContact NE2-OG1 3.46Å; Q313-T327 VanDerWaalsContact NE2-OG1 3.11Å
314D91.6Very high93.1Very high99 Ų9967.7 Ų67.753%0.52935%0.351SS..SBendtrans-79.8-29.3-175.4-82.219.1000113.4R298 K339R298-D314 IonicContact CZ-OD1 2.77Å; R298-D314 IonicContact CZ-OD2 3.29Å; R298-D314 IonicContact NH2-OD1 3.45Å; R298-D314 PolarHBondContact NH2-OD1 3.39Å; R298-D314 IonicContact NH2-OD2 3.24Å; R298-D314 PolarHBondContact NH2-OD2 2.95Å; D314-K339 WeakPolarHBondContact O-CE 3.33Å; D314-K339 PolarHBondContact O-NZ 3.05Å
315V93.2Very high93.1Very high76 Ų7670.2 Ų70.246%0.46137%0.365SS..SBendtrans-91.8125.2-179.4-1780000109.1Q313 S317 I324Q313-V315 PolarHBondContact NE2-O 2.76Å; V315-S317 PolarHBondContact O-N 3.06Å; V315-I324 HydrophobicContact CB-CD1 4.45Å; V315-I324 HydrophobicContact CB-CG2 4.48Å; V315-I324 HydrophobicContact CG1-CD1 4.43Å; V315-I324 HydrophobicContact CG2-CD1 4.37Å
316L94.5Very high93Very high17 Ų1771.8 Ų71.89%0.08938%0.378CS..  trans-73.6120.1164.5-178.878.1000107.7C289 T327 L330 K339 A343 W346C289-L316 HydrophobicContact CB-CD1 4.28Å; L316-T327 HydrophobicContact CD1-CG2 3.89Å; L316-L330 HydrophobicContact CD1-CB 4.32Å; L316-L330 HydrophobicContact CD1-CD1 4.32Å; L316-K339 HydrophobicContact CB-CG 4.39Å; L316-K339 VanDerWaalsContact CD2-O 3.27Å; L316-K339 WeakPolarHBondContact CD2-O 3.09Å; L316-A343 HydrophobicContact CD1-CB 4.29Å; L316-A343 HydrophobicContact CD2-CB 3.96Å; L316-W346 HydrophobicContact CD2-CE3 4.04Å; L316-W346 HydrophobicContact CD2-CZ3 3.76Å; L316-W346 HydrophobicContact CG-CE3 4.16Å; L316-W346 HydrophobicContact CG-CZ3 3.75Å
317S93.7Very high93.1Very high25 Ų2567.4 Ų67.418%0.17536%0.355CS..  trans-131.2138.6177.2-174.50000111.6V315 F319 T327V315-S317 PolarHBondContact O-N 3.06Å; S317-F319 PolarHBondContact OG-N 3.13Å; S317-F319 PolarHBondContact OG-O 2.79Å; S317-T327 PolarHBondContact N-OG1 3.06Å; S317-T327 VanDerWaalsContact N-OG1 3.1Å; S317-T327 PolarHBondContact O-N 3.28Å; S317-T327 PolarHBondContact O-OG1 3.15Å
318R92.7Very high93.2Very high139 Ų13969.2 Ų69.253%0.52536%0.364SS..SBendtrans-75.8-26.2172.7-171175.5-179.7-164.1-0.5113.1W346R318-W346 HydrophobicContact CB-CD2 3.87Å; R318-W346 HydrophobicContact CB-CE3 3.8Å; R318-W346 HydrophobicContact CB-CG 4.22Å; R318-W346 HydrophobicContact CB-CZ3 4.28Å; R318-W346 HydrophobicContact CG-CB 4.33Å; R318-W346 HydrophobicContact CG-CD2 4.41Å; R318-W346 HydrophobicContact CG-CG 4.23Å
319F91.7Very high93.2Very high133 Ų13369.3 Ų69.358%0.58336%0.364SS*.SBendtrans-131.2147.7-172.5-57.2-66.9000111S317 K321S317-F319 PolarHBondContact OG-N 3.13Å; S317-F319 PolarHBondContact OG-O 2.79Å; F319-K321 PolarHBondContact O-N 3.42Å
320S90.5Very high93.3Very high78 Ų7868.2 Ų68.255%0.54535%0.353SS..  trans-75.4121.7168.1-590000109I324 A326S320-I324 CarbonylContact C-O 3.56Å; S320-I324 VanDerWaalsContact CA-O 3.28Å; S320-I324 WeakPolarHBondContact CA-O 3.1Å; S320-A326 PolarHBondContact OG-N 2.86Å
321K85.4Confident93.3Very high139 Ų13967.9 Ų67.960%0.60435%0.35SS*.BIsolated β-bridgetrans-145.8134.8175.6-163.9-163.9174.8-108.20109.2F319 N323 I324F319-K321 PolarHBondContact O-N 3.42Å; K321-N323 PolarHBondContact O-N 3.22Å; K321-I324 PolarHBondContact N-O 2.85Å; K321-I324 PolarHBondContact O-N 2.9Å; K321-I324 VanDerWaalsContact O-O 3.08Å
322D85.5Confident93.2Very high132 Ų13261.6 Ų61.671%0.70632%0.323SS*.THydrogen-bonded Turntrans53.3-126.6-179.4-45-42.4000110I324D322-I324 VanDerWaalsContact C-N 3.35Å
323N87Confident92.9Very high171 Ų17166.4 Ų66.491%0.91434%0.343SS*.THydrogen-bonded Turntrans-87.35.2176.5-69.5-37.1000114.5K321K321-N323 PolarHBondContact O-N 3.22Å
324I90.2Very high92.7Very high67 Ų6766.4 Ų66.434%0.34435%0.346SS..BIsolated β-bridgetrans-103.6132.7-179.1-56.4176.7000109.1V315 S320 K321 D322V315-I324 HydrophobicContact CB-CD1 4.45Å; V315-I324 HydrophobicContact CB-CG2 4.48Å; V315-I324 HydrophobicContact CG1-CD1 4.43Å; V315-I324 HydrophobicContact CG2-CD1 4.37Å; S320-I324 CarbonylContact C-O 3.56Å; S320-I324 VanDerWaalsContact CA-O 3.28Å; S320-I324 WeakPolarHBondContact CA-O 3.1Å; K321-I324 PolarHBondContact N-O 2.85Å; K321-I324 PolarHBondContact O-N 2.9Å; K321-I324 VanDerWaalsContact O-O 3.08Å; D322-I324 VanDerWaalsContact C-N 3.35Å
325L93.4Very high92.8Very high55 Ų5564.6 Ų64.629%0.28834%0.339SS..PPolyproline II helixtrans-96.9158.6178-59.8175.6000111.4V287 K311 Q313 T327V287-L325 HydrophobicContact CG1-CB 4.13Å; V287-L325 HydrophobicContact CG2-CB 4Å; V287-L325 HydrophobicContact CG2-CD1 3.94Å; K311-L325 HydrophobicContact CD-CD1 3.42Å; K311-L325 VanDerWaalsContact CD-CD1 3.42Å; Q313-L325 PolarHBondContact NE2-O 3.32Å; Q313-L325 VanDerWaalsContact OE1-N 3.16Å; Q313-L325 PolarHBondContact OE1-O 2.83Å; L325-T327 PolarHBondContact O-N 3.4Å
326A95.6Very high92.7Very high33 Ų3366.8 Ų66.827%0.27335%0.345SS..PPolyproline II helixtrans-60.6126.7165.200000109.9V287 S320V287-A326 WeakPolarHBondContact CB-O 3.39Å; S320-A326 PolarHBondContact OG-N 2.86Å
327T97.4Very high92.5Very high9 Ų967.6 Ų67.66%0.05536%0.357CS..PPolyproline II helixtrans-76130.1178.4-51.20000110.2C289 Q313 L316 S317 L325 H329C289-T327 HydrophobicContact CB-CG2 3.62Å; Q313-T327 PolarHBondContact NE2-OG1 3.46Å; Q313-T327 VanDerWaalsContact NE2-OG1 3.11Å; L316-T327 HydrophobicContact CD1-CG2 3.89Å; S317-T327 PolarHBondContact N-OG1 3.06Å; S317-T327 VanDerWaalsContact N-OG1 3.1Å; S317-T327 PolarHBondContact O-N 3.28Å; S317-T327 PolarHBondContact O-OG1 3.15Å; L325-T327 PolarHBondContact O-N 3.4Å; T327-H329 VanDerWaalsContact CG2-O 3.25Å; T327-H329 WeakPolarHBondContact CG2-O 3.21Å
328T96.9Very high92.5Very high52 Ų5271.5 Ų71.532%0.31938%0.376SS..SBendtrans-93.5-28.7-178.362.90000113.8V287 P349V287-T328 HydrophobicContact CB-CG2 4.22Å; V287-T328 HydrophobicContact CG2-CG2 4.49Å; V287-T328 PolarHBondContact N-OG1 3.17Å; V287-T328 PolarHBondContact O-N 2.96Å; V287-T328 PolarHBondContact O-OG1 3.19Å; T328-P349 WeakPolarHBondContact O-CD 3.43Å
329H97.4Very high92.6Very high1 Ų167.7 Ų67.71%0.00536%0.363CS..EExtended strand (participates in β ladder)trans-149144.9172.7-38.975.2000109.1V287 L288 C289 T327 P349 L351 W355 R365V287-H329 PolarHBondContact O-N 2.95Å; L288-H329 HydrophobicContact CD2-CB 3.79Å; C289-H329 PolarHBondContact N-O 3.05Å; T327-H329 VanDerWaalsContact CG2-O 3.25Å; T327-H329 WeakPolarHBondContact CG2-O 3.21Å; H329-P349 HydrophobicContact CB-CB 4.41Å; H329-L351 HydrophobicContact CB-CD1 4.22Å; H329-W355 AromaticContact CD2-CH2 3.87Å; H329-W355 AromaticContact CD2-CZ2 3.93Å; H329-W355 AromaticContact CE1-CH2 3.59Å; H329-W355 AromaticContact CE1-CZ2 3.94Å; H329-W355 AromaticContact CG-CH2 3.88Å; H329-W355 AromaticContact ND1-CH2 3.7Å; H329-W355 AromaticContact NE2-CH2 3.7Å; H329-W355 AromaticContact NE2-CZ2 3.62Å; H329-R365 PolarHBondContact CE1-NH2 2.94Å; H329-R365 PolarHBondContact NE2-NH2 3.46Å
330L97.4Very high92.8Very high0 Ų063 Ų630%034%0.342CS..EExtended strand (participates in β ladder)trans-101127.216817864.6000108.1C289 L316 L332 K339 A343 P349 L351C289-L330 HydrophobicContact CB-CD1 3.97Å; L316-L330 HydrophobicContact CD1-CB 4.32Å; L316-L330 HydrophobicContact CD1-CD1 4.32Å; L330-L332 HydrophobicContact CB-CD2 4.3Å; L330-L332 HydrophobicContact CD2-CD2 3.92Å; L330-L332 HydrophobicContact CG-CD2 3.72Å; L330-L332 WeakPolarHBondContact O-CD2 3.35Å; L330-K339 HydrophobicContact CD1-CB 4.36Å; L330-K339 HydrophobicContact CD1-CD 4.39Å; L330-K339 HydrophobicContact CD2-CB 4.04Å; L330-K339 WeakPolarHBondContact CD2-O 3.37Å; L330-A343 HydrophobicContact CB-CB 4.12Å; L330-A343 HydrophobicContact CD2-CB 3.6Å; L330-P349 PolarHBondContact N-O 3.19Å; L330-L351 PolarHBondContact O-N 2.9Å
331I96.6Very high93Very high0 Ų067.4 Ų67.40%035%0.347CS..EExtended strand (participates in β ladder)trans-104.8129.9171.2-58.5177000108.4L288 C289 F290 S291 F293 L351 T353 W355 L356L288-I331 HydrophobicContact CD1-CD1 4.03Å; C289-I331 PolarHBondContact O-N 2.95Å; F290-I331 CarbonylContact C-O 3.45Å; F290-I331 WeakPolarHBondContact CA-O 3.39Å; F290-I331 HydrophobicContact CD1-CB 3.76Å; F290-I331 HydrophobicContact CD1-CG2 4.01Å; F290-I331 HydrophobicContact CE1-CB 3.8Å; F290-I331 HydrophobicContact CE1-CD1 3.78Å; F290-I331 HydrophobicContact CE1-CG1 4.32Å; F290-I331 HydrophobicContact CE1-CG2 3.92Å; F290-I331 HydrophobicContact CZ-CD1 4.25Å; S291-I331 PolarHBondContact N-O 2.98Å; F293-I331 HydrophobicContact CE2-CG2 3.99Å; F293-I331 HydrophobicContact CZ-CG2 4.24Å; I331-L351 WeakPolarHBondContact CA-O 3.28Å; I331-T353 HydrophobicContact CG2-CG2 4.18Å; I331-W355 HydrophobicContact CD1-CE3 4.17Å; I331-W355 HydrophobicContact CD1-CZ3 4.35Å; I331-L356 HydrophobicContact CD1-CB 4.04Å; I331-L356 HydrophobicContact CD1-CD2 4.31Å
332L94.9Very high93.5Very high1 Ų162.6 Ų62.61%0.00533%0.33CS..  trans-142.2165.2-173.151.1139.9000111F293 L330 S334 Y340 C350 L351 F373F293-L332 VanDerWaalsContact CZ-C 3.48Å; L330-L332 HydrophobicContact CB-CD2 4.3Å; L330-L332 HydrophobicContact CD2-CD2 3.92Å; L330-L332 HydrophobicContact CG-CD2 3.72Å; L330-L332 WeakPolarHBondContact O-CD2 3.35Å; L332-S334 WeakPolarHBondContact CD1-O 3.41Å; L332-Y340 HydrophobicContact CD1-CD2 3.73Å; L332-Y340 HydrophobicContact CD1-CE2 4.32Å; L332-Y340 HydrophobicContact CD1-CG 4.5Å; L332-Y340 HydrophobicContact CD2-CD2 4.45Å; L332-C350 HydrophobicContact CD2-CB 3.76Å; L332-L351 PolarHBondContact N-O 3.33Å; L332-F373 HydrophobicContact CD1-CD2 3.71Å; L332-F373 HydrophobicContact CD1-CE2 3.46Å; L332-F373 VanDerWaalsContact CD1-CE2 3.46Å; L332-F373 HydrophobicContact CD1-CZ 4.06Å; L332-F373 HydrophobicContact CD2-CE2 4.38Å; L332-F373 HydrophobicContact CG-CD2 4.2Å; L332-F373 HydrophobicContact CG-CE2 3.62Å; L332-F373 HydrophobicContact CG-CZ 4.33Å
333H90.5Very high94Very high138 Ų13856.3 Ų56.364%0.63930%0.297SS*.SBendtrans-90.5-43.7178.5-176.173.7000111.7Q292 F293 F373Q292-H333 HydrophobicContact CB-CB 4.09Å; F293-H333 HydrophobicContact CE1-CB 4.1Å; F293-H333 HydrophobicContact CZ-CB 4.19Å; H333-F373 WeakPolarHBondContact O-CZ 3.13Å
334S91.2Very high94.4Very high29 Ų2951.9 Ų51.920%0.20328%0.276CS..SBendtrans-142.2154.2177.661.80000111.8Q292 L332 Q336Q292-S334 PolarHBondContact NE2-O 2.98Å; Q292-S334 PolarHBondContact OE1-O 2.91Å; Q292-S334 VanDerWaalsContact OE1-O 3.08Å; L332-S334 WeakPolarHBondContact CD1-O 3.41Å; S334-Q336 VanDerWaalsContact C-N 3.26Å; S334-Q336 PolarHBondContact O-N 3.33Å; S334-Q336 WeakPolarHBondContact OG-CG 3.27Å; S334-Q336 PolarHBondContact OG-NE2 3.14Å
335P92.3Very high94.6Very high61 Ų6159.2 Ų59.240%0.39630%0.299SS..SBendtrans-79.161.8-165.932.2-35.1000113.8Y340 F373P335-Y340 VanDerWaalsContact C-CD1 3.44Å; P335-Y340 HydrophobicContact CB-CD2 4.28Å; P335-Y340 HydrophobicContact CB-CE1 4Å; P335-Y340 HydrophobicContact CB-CE2 3.72Å; P335-Y340 VanDerWaalsContact O-CD1 3.27Å; P335-Y340 WeakPolarHBondContact O-CD1 3.44Å; P335-Y340 WeakPolarHBondContact O-CE1 3.5Å; P335-F373 HydrophobicContact CB-CB 3.78Å; P335-F373 HydrophobicContact CB-CD1 3.96Å; P335-F373 HydrophobicContact CB-CG 3.85Å; P335-F373 HydrophobicContact CG-CB 4.28Å; P335-F373 HydrophobicContact CG-CD1 3.85Å; P335-F373 HydrophobicContact CG-CG 4.24Å
336Q91.3Very high94.6Very high123 Ų12360.5 Ų60.558%0.57530%0.3SS*.  trans-145.8166.2-170.965.3-178.5100114.4Q292 S334 Y340Q292-Q336 PolarHBondContact NE2-O 2.95Å; S334-Q336 VanDerWaalsContact C-N 3.26Å; S334-Q336 PolarHBondContact O-N 3.33Å; S334-Q336 WeakPolarHBondContact OG-CG 3.27Å; S334-Q336 PolarHBondContact OG-NE2 3.14Å; Q336-Y340 WeakPolarHBondContact O-CB 3.46Å
337G90.7Very high94.5Very high34 Ų3466 Ų6635%0.35133%0.325SS..Hα-helixtrans78170.5179.400000114.6K339 Y340 R341G337-K339 PolarHBondContact O-N 3.09Å; G337-Y340 WeakPolarHBondContact O-CB 3.16Å; G337-Y340 PolarHBondContact O-N 3.27Å; G337-R341 PolarHBondContact O-N 3.38Å
338D93.7Very high94.4Very high106 Ų10666.4 Ų66.457%0.56733%0.328SS*.Hα-helixtrans-75.7-23-161-50.5-58.1000114.2R341 S342D338-R341 IonicContact OD1-CZ 3.82Å; D338-R341 IonicContact OD1-NH1 2.58Å; D338-R341 PolarHBondContact OD1-NH1 3.01Å; D338-S342 WeakPolarHBondContact O-CB 3.43Å; D338-S342 PolarHBondContact O-N 3.04Å; D338-S342 PolarHBondContact O-OG 2.84Å
339K94.5Very high94.4Very high59 Ų5965.3 Ų65.326%0.25732%0.322SS..Hα-helixtrans-61.6-45.8166.7-79.9-174.5170.7-173.80111.2C289 F290 D314 L316 L330 G337 S342 A343C289-K339 PolarHBondContact SG-NZ 3.42Å; F290-K339 PolarHBondContact O-NZ 2.85Å; D314-K339 WeakPolarHBondContact O-CE 3.33Å; D314-K339 PolarHBondContact O-NZ 3.05Å; L316-K339 HydrophobicContact CB-CG 4.39Å; L316-K339 VanDerWaalsContact CD2-O 3.27Å; L316-K339 WeakPolarHBondContact CD2-O 3.09Å; L330-K339 HydrophobicContact CD1-CB 4.36Å; L330-K339 HydrophobicContact CD1-CD 4.39Å; L330-K339 HydrophobicContact CD2-CB 4.04Å; L330-K339 WeakPolarHBondContact CD2-O 3.37Å; G337-K339 PolarHBondContact O-N 3.09Å; K339-S342 PolarHBondContact O-N 2.95Å; K339-A343 VanDerWaalsContact O-CB 3.27Å; K339-A343 WeakPolarHBondContact O-CB 3.49Å; K339-A343 PolarHBondContact O-N 3.25Å
340Y96.3Very high94.3Very high35 Ų3565.8 Ų65.814%0.13733%0.325CS..Hα-helixtrans-64.3-51.5177.6174.1-101.8000110.9L332 P335 Q336 G337 S342 A343 V344 C350L332-Y340 HydrophobicContact CD1-CD2 3.73Å; L332-Y340 HydrophobicContact CD1-CE2 4.32Å; L332-Y340 HydrophobicContact CD1-CG 4.5Å; L332-Y340 HydrophobicContact CD2-CD2 4.45Å; P335-Y340 VanDerWaalsContact C-CD1 3.44Å; P335-Y340 HydrophobicContact CB-CD2 4.28Å; P335-Y340 HydrophobicContact CB-CE1 4Å; P335-Y340 HydrophobicContact CB-CE2 3.72Å; P335-Y340 VanDerWaalsContact O-CD1 3.27Å; P335-Y340 WeakPolarHBondContact O-CD1 3.44Å; P335-Y340 WeakPolarHBondContact O-CE1 3.5Å; Q336-Y340 WeakPolarHBondContact O-CB 3.46Å; G337-Y340 WeakPolarHBondContact O-CB 3.16Å; G337-Y340 PolarHBondContact O-N 3.27Å; Y340-S342 VanDerWaalsContact C-N 3.27Å; Y340-S342 PolarHBondContact O-N 3.34Å; Y340-A343 PolarHBondContact O-N 3.07Å; Y340-A343 VanDerWaalsContact O-N 3.17Å; Y340-V344 HydrophobicContact CD1-CG2 4.45Å; Y340-V344 HydrophobicContact CD2-CG2 4.24Å; Y340-V344 HydrophobicContact CE1-CG2 4.09Å; Y340-V344 HydrophobicContact CE2-CG2 3.85Å; Y340-V344 WeakPolarHBondContact O-CG2 3.4Å; Y340-V344 PolarHBondContact O-N 3.48Å; Y340-C350 HydrophobicContact CD2-CB 3.74Å; Y340-C350 VanDerWaalsContact CD2-SG 3.51Å; Y340-C350 HydrophobicContact CE2-CB 3.65Å
341R95.9Very high94.3Very high170 Ų17065.8 Ų65.864%0.64233%0.325SS*.Hα-helixtrans-53.7-43.1176.4-66.7171172162.8-8.9112.2G337 D338 R345G337-R341 PolarHBondContact O-N 3.38Å; D338-R341 IonicContact OD1-CZ 3.82Å; D338-R341 IonicContact OD1-NH1 2.58Å; D338-R341 PolarHBondContact OD1-NH1 3.01Å; R341-R345 WeakPolarHBondContact O-CB 3.35Å; R341-R345 PolarHBondContact O-N 3.01Å; R341-R345 VanDerWaalsContact O-N 3.09Å
342S95.1Very high94.2Very high38 Ų3868 Ų6827%0.26634%0.337SS..Hα-helixtrans-70.3-43178.4-60.40000112.7D338 K339 Y340 R345 W346D338-S342 WeakPolarHBondContact O-CB 3.43Å; D338-S342 PolarHBondContact O-N 3.04Å; D338-S342 PolarHBondContact O-OG 2.84Å; K339-S342 PolarHBondContact O-N 2.95Å; Y340-S342 VanDerWaalsContact C-N 3.27Å; Y340-S342 PolarHBondContact O-N 3.34Å; S342-R345 CarbonylContact O-C 3.58Å; S342-R345 PolarHBondContact O-N 2.87Å; S342-W346 WeakPolarHBondContact O-CB 3.09Å; S342-W346 VanDerWaalsContact O-CD2 3.31Å; S342-W346 PolarHBondContact O-N 2.97Å
343A95.5Very high94.2Very high0 Ų069 Ų690%034%0.343CS..Hα-helixtrans-63.6-44.6178.600000111.7L316 L330 K339 Y340 R345 W346 N347 V348 C350L316-A343 HydrophobicContact CD1-CB 4.29Å; L316-A343 HydrophobicContact CD2-CB 3.96Å; L330-A343 HydrophobicContact CB-CB 4.12Å; L330-A343 HydrophobicContact CD2-CB 3.6Å; K339-A343 VanDerWaalsContact O-CB 3.27Å; K339-A343 WeakPolarHBondContact O-CB 3.49Å; K339-A343 PolarHBondContact O-N 3.25Å; Y340-A343 PolarHBondContact O-N 3.07Å; Y340-A343 VanDerWaalsContact O-N 3.17Å; A343-R345 PolarHBondContact O-N 3.49Å; A343-W346 CarbonylContact O-C 3.59Å; A343-W346 PolarHBondContact O-N 3.15Å; A343-W346 VanDerWaalsContact O-N 3.09Å; A343-N347 PolarHBondContact O-N 3.43Å; A343-V348 HydrophobicContact CB-CB 4.04Å; A343-V348 HydrophobicContact CB-CG1 4.42Å; A343-V348 PolarHBondContact O-N 3.38Å; A343-C350 WeakPolarHBondContact CB-SG 3.37Å
344V94.8Very high94.3Very high79 Ų7964.4 Ų64.448%0.47933%0.326SS..Hα-helixtrans-57-49.6171.6173.40000110.6Y340 W346 N347Y340-V344 HydrophobicContact CD1-CG2 4.45Å; Y340-V344 HydrophobicContact CD2-CG2 4.24Å; Y340-V344 HydrophobicContact CE1-CG2 4.09Å; Y340-V344 HydrophobicContact CE2-CG2 3.85Å; Y340-V344 WeakPolarHBondContact O-CG2 3.4Å; Y340-V344 PolarHBondContact O-N 3.48Å; V344-W346 PolarHBondContact O-N 3.49Å; V344-W346 VanDerWaalsContact O-N 3.15Å; V344-N347 PolarHBondContact O-N 3.38Å; V344-N347 VanDerWaalsContact O-N 3.08Å
345R94.6Very high94.6Very high220 Ų22063 Ų6383%0.8332%0.316SS*.Hα-helixtrans-62-21.4177.1-171174.8-176.4-177.43.9113.9R341 S342 A343R341-R345 WeakPolarHBondContact O-CB 3.35Å; R341-R345 PolarHBondContact O-N 3.01Å; R341-R345 VanDerWaalsContact O-N 3.09Å; S342-R345 CarbonylContact O-C 3.58Å; S342-R345 PolarHBondContact O-N 2.87Å; A343-R345 PolarHBondContact O-N 3.49Å
346W94.2Very high94.8Very high82 Ų8260.1 Ų60.131%0.31130%0.298SS..THydrogen-bonded Turntrans-102.73.5179-58.2-15.3000113.4L316 R318 S342 A343 V344 V348L316-W346 HydrophobicContact CD2-CE3 4.04Å; L316-W346 HydrophobicContact CD2-CZ3 3.76Å; L316-W346 HydrophobicContact CG-CE3 4.16Å; L316-W346 HydrophobicContact CG-CZ3 3.75Å; R318-W346 HydrophobicContact CB-CD2 3.87Å; R318-W346 HydrophobicContact CB-CE3 3.8Å; R318-W346 HydrophobicContact CB-CG 4.22Å; R318-W346 HydrophobicContact CB-CZ3 4.28Å; R318-W346 HydrophobicContact CG-CB 4.33Å; R318-W346 HydrophobicContact CG-CD2 4.41Å; R318-W346 HydrophobicContact CG-CG 4.23Å; S342-W346 WeakPolarHBondContact O-CB 3.09Å; S342-W346 VanDerWaalsContact O-CD2 3.31Å; S342-W346 PolarHBondContact O-N 2.97Å; A343-W346 CarbonylContact O-C 3.59Å; A343-W346 PolarHBondContact O-N 3.15Å; A343-W346 VanDerWaalsContact O-N 3.09Å; V344-W346 PolarHBondContact O-N 3.49Å; V344-W346 VanDerWaalsContact O-N 3.15Å; W346-V348 HydrophobicContact CB-CG2 4.1Å; W346-V348 PolarHBondContact O-N 3.01Å
347N94.1Very high94.9Very high149 Ų14954.5 Ų54.580%0.79727%0.272SS*.THydrogen-bonded Turntrans5437.6-173.2-161.740.8000113.4A343 V344A343-N347 PolarHBondContact O-N 3.43Å; V344-N347 PolarHBondContact O-N 3.38Å; V344-N347 VanDerWaalsContact O-N 3.08Å
348V95.4Very high95.1Very high17 Ų1754.8 Ų54.810%0.10327%0.265CS..  trans-91.5123.1171.8175.80000108A343 W346 C350A343-V348 HydrophobicContact CB-CB 4.04Å; A343-V348 HydrophobicContact CB-CG1 4.42Å; A343-V348 PolarHBondContact O-N 3.38Å; W346-V348 HydrophobicContact CB-CG2 4.1Å; W346-V348 PolarHBondContact O-N 3.01Å; V348-C350 PolarHBondContact O-N 3.11Å
349P95.8Very high95.2Very high30 Ų3049.8 Ų49.820%0.19524%0.238CC..  trans-49122.2177.7-34.438.3000114.2T328 H329 L330 L351T328-P349 WeakPolarHBondContact O-CD 3.43Å; H329-P349 HydrophobicContact CB-CB 4.41Å; L330-P349 PolarHBondContact N-O 3.19Å; P349-L351 HydrophobicContact CB-CD1 4.27Å; P349-L351 HydrophobicContact CB-CD2 4.07Å; P349-L351 HydrophobicContact CB-CG 4.06Å
350C96.7Very high95.2Very high11 Ų1147 Ų477%0.07423%0.226CC..EExtended strand (participates in β ladder)trans-98.7103.1175.2-72.50000109.6L332 Y340 A343 V348 A372 F373L332-C350 HydrophobicContact CD2-CB 3.76Å; Y340-C350 HydrophobicContact CD2-CB 3.74Å; Y340-C350 VanDerWaalsContact CD2-SG 3.51Å; Y340-C350 HydrophobicContact CE2-CB 3.65Å; A343-C350 WeakPolarHBondContact CB-SG 3.37Å; V348-C350 PolarHBondContact O-N 3.11Å; C350-A372 WeakPolarHBondContact O-CA 3.48Å; C350-F373 PolarHBondContact O-N 2.96Å
351L96.7Very high95Very high0 Ų050 Ų500%024%0.237CC..EExtended strand (participates in β ladder)trans-119.7153.6-167.4-51.2-179.5000113.2H329 L330 I331 L332 P349 W355 H368 Y371 A372H329-L351 HydrophobicContact CB-CD1 4.22Å; L330-L351 PolarHBondContact O-N 2.9Å; I331-L351 WeakPolarHBondContact CA-O 3.28Å; L332-L351 PolarHBondContact N-O 3.33Å; P349-L351 HydrophobicContact CB-CD1 4.27Å; P349-L351 HydrophobicContact CB-CD2 4.07Å; P349-L351 HydrophobicContact CB-CG 4.06Å; L351-W355 HydrophobicContact CB-CB 4.41Å; L351-W355 HydrophobicContact CD1-CB 4.2Å; L351-W355 HydrophobicContact CD1-CD2 3.51Å; L351-W355 HydrophobicContact CD1-CE3 3.84Å; L351-W355 HydrophobicContact CD1-CG 3.67Å; L351-W355 HydrophobicContact CD1-CZ2 4.5Å; L351-W355 HydrophobicContact CD1-CZ3 4.45Å; L351-H368 HydrophobicContact CD1-CB 3.83Å; L351-H368 HydrophobicContact CD2-CB 3.96Å; L351-H368 WeakPolarHBondContact CD2-O 3.35Å; L351-Y371 WeakPolarHBondContact CA-O 3.48Å; L351-A372 HydrophobicContact CD2-CB 4.07Å
352N94.5Very high94.8Very high46 Ų4644.8 Ų44.825%0.24623%0.227CC..  trans-78.4173.8168.467.639.2000112.3S354 Y371 F373N352-S354 VanDerWaalsContact C-N 3.31Å; N352-S354 PolarHBondContact O-N 2.92Å; N352-S354 WeakPolarHBondContact OD1-CB 3.32Å; N352-S354 PolarHBondContact OD1-N 3.47Å; N352-S354 VanDerWaalsContact OD1-N 3.08Å; N352-Y371 PolarHBondContact N-O 3.33Å; N352-Y371 PolarHBondContact ND2-O 3.32Å; N352-F373 HydrophobicContact CB-CE2 4.1Å; N352-F373 HydrophobicContact CB-CZ 3.94Å
353T93.8Very high94.7Very high21 Ų2148.8 Ų48.813%0.12924%0.236CC..THydrogen-bonded Turntrans-67.5-26.8-179.2450000114.1P269 F293 L301 I331 W355 L356 V357P269-T353 WeakPolarHBondContact CG-OG1 3.45Å; F293-T353 HydrophobicContact CE1-CG2 3.51Å; F293-T353 HydrophobicContact CE2-CG2 4.32Å; F293-T353 HydrophobicContact CZ-CG2 3.36Å; L301-T353 HydrophobicContact CD1-CG2 4.19Å; L301-T353 HydrophobicContact CD2-CG2 3.96Å; I331-T353 HydrophobicContact CG2-CG2 4.18Å; T353-W355 PolarHBondContact O-N 3.48Å; T353-L356 PolarHBondContact O-N 2.78Å; T353-L356 VanDerWaalsContact O-N 3.16Å; T353-V357 PolarHBondContact O-N 2.7Å
354S93.5Very high94.7Very high42 Ų4254.9 Ų54.929%0.29426%0.263SS..Hα-helixtrans-63-29.8-176.8-52.30000112.4N352 L356 V357 D358N352-S354 VanDerWaalsContact C-N 3.31Å; N352-S354 PolarHBondContact O-N 2.92Å; N352-S354 WeakPolarHBondContact OD1-CB 3.32Å; N352-S354 PolarHBondContact OD1-N 3.47Å; N352-S354 VanDerWaalsContact OD1-N 3.08Å; S354-L356 VanDerWaalsContact C-N 3.34Å; S354-L356 PolarHBondContact O-N 2.77Å; S354-V357 PolarHBondContact O-N 2.92Å; S354-D358 WeakPolarHBondContact O-CB 3.24Å; S354-D358 PolarHBondContact O-N 3.33Å
355W96.5Very high94.7Very high0 Ų057.9 Ų57.90%027%0.265CS..Hα-helixtrans-58.4-43.8174.3179.275000112.9L283 L288 H329 I331 L351 T353 C359 R365 V366 Y371L283-W355 HydrophobicContact CD1-CZ3 4.39Å; L283-W355 HydrophobicContact CD2-CH2 3.61Å; L283-W355 HydrophobicContact CD2-CZ2 4.02Å; L283-W355 HydrophobicContact CD2-CZ3 4.22Å; L288-W355 HydrophobicContact CD1-CZ3 4.36Å; L288-W355 HydrophobicContact CD2-CH2 4.22Å; L288-W355 HydrophobicContact CD2-CZ3 3.82Å; H329-W355 AromaticContact CD2-CH2 3.87Å; H329-W355 AromaticContact CD2-CZ2 3.93Å; H329-W355 AromaticContact CE1-CH2 3.59Å; H329-W355 AromaticContact CE1-CZ2 3.94Å; H329-W355 AromaticContact CG-CH2 3.88Å; H329-W355 AromaticContact ND1-CH2 3.7Å; H329-W355 AromaticContact NE2-CH2 3.7Å; H329-W355 AromaticContact NE2-CZ2 3.62Å; I331-W355 HydrophobicContact CD1-CE3 4.17Å; I331-W355 HydrophobicContact CD1-CZ3 4.35Å; L351-W355 HydrophobicContact CB-CB 4.41Å; L351-W355 HydrophobicContact CD1-CB 4.2Å; L351-W355 HydrophobicContact CD1-CD2 3.51Å; L351-W355 HydrophobicContact CD1-CE3 3.84Å; L351-W355 HydrophobicContact CD1-CG 3.67Å; L351-W355 HydrophobicContact CD1-CZ2 4.5Å; L351-W355 HydrophobicContact CD1-CZ3 4.45Å; T353-W355 PolarHBondContact O-N 3.48Å; W355-C359 VanDerWaalsContact CE2-SG 3.58Å; W355-C359 WeakPolarHBondContact O-CB 3.32Å; W355-C359 PolarHBondContact O-N 3.25Å; W355-C359 PolarHBondContact O-SG 2.86Å; W355-R365 HydrophobicContact CZ2-CG 3.96Å; W355-V366 PolarHBondContact NE1-O 3.2Å; W355-Y371 HydrophobicContact CB-CD1 3.89Å; W355-Y371 HydrophobicContact CB-CD2 4.07Å; W355-Y371 HydrophobicContact CB-CG 3.63Å; W355-Y371 AromaticContact CD1-CD2 3.61Å; W355-Y371 HydrophobicContact CG-CD2 4.25Å; W355-Y371 HydrophobicContact CG-CG 4.27Å; W355-Y371 VanDerWaalsContact N-CD1 3.3Å
356L96.5Very high94.7Very high0 Ų048.2 Ų48.20%023%0.23CC..Hα-helixtrans-66.7-40.8178.6170.959.3000110.9L283 F290 L301 M304 A305 I331 T353 S354 I360L283-L356 HydrophobicContact CD1-CD1 3.4Å; L283-L356 VanDerWaalsContact CD1-CD1 3.4Å; F290-L356 HydrophobicContact CE1-CD2 4.34Å; F290-L356 HydrophobicContact CZ-CD2 4.08Å; L301-L356 HydrophobicContact CD2-CD2 3.89Å; M304-L356 HydrophobicContact CE-CD2 3.92Å; M304-L356 HydrophobicContact CE-CG 4.11Å; M304-L356 HydrophobicContact CG-CD2 4.49Å; M304-L356 HydrophobicContact CG-CG 4.44Å; A305-L356 HydrophobicContact CB-CD1 4.21Å; A305-L356 HydrophobicContact CB-CD2 4.25Å; I331-L356 HydrophobicContact CD1-CB 4.04Å; I331-L356 HydrophobicContact CD1-CD2 4.31Å; T353-L356 PolarHBondContact O-N 2.78Å; T353-L356 VanDerWaalsContact O-N 3.16Å; S354-L356 VanDerWaalsContact C-N 3.34Å; S354-L356 PolarHBondContact O-N 2.77Å; L356-I360 HydrophobicContact CD1-CD1 4.01Å; L356-I360 HydrophobicContact CG-CD1 4.4Å; L356-I360 WeakPolarHBondContact O-CD1 3.11Å; L356-I360 WeakPolarHBondContact O-CG1 3.47Å; L356-I360 PolarHBondContact O-N 3.13Å
357V94.7Very high94.7Very high5 Ų549.3 Ų49.33%0.0324%0.242CC..Hα-helixtrans-64.4-46.4176.51620000111.5P269 Y274 M304 T353 S354 C359 I360 R361P269-V357 HydrophobicContact CB-CG2 4.21Å; Y274-V357 HydrophobicContact CD1-CG1 4.14Å; Y274-V357 HydrophobicContact CD2-CG2 4.23Å; Y274-V357 HydrophobicContact CE1-CG1 3.49Å; Y274-V357 VanDerWaalsContact CE1-CG1 3.49Å; Y274-V357 HydrophobicContact CE2-CB 4.44Å; Y274-V357 HydrophobicContact CE2-CG1 4Å; Y274-V357 HydrophobicContact CE2-CG2 3.63Å; Y274-V357 VanDerWaalsContact CZ-CG1 3.4Å; M304-V357 HydrophobicContact CE-CG2 3.99Å; M304-V357 HydrophobicContact SD-CG2 4.41Å; T353-V357 PolarHBondContact O-N 2.7Å; S354-V357 PolarHBondContact O-N 2.92Å; V357-C359 PolarHBondContact O-N 3.21Å; V357-I360 WeakPolarHBondContact O-CA 3.13Å; V357-I360 WeakPolarHBondContact O-CB 3.27Å; V357-I360 PolarHBondContact O-N 3.07Å; V357-R361 HydrophobicContact CG1-CG 4.14Å; V357-R361 WeakPolarHBondContact O-CG 3.12Å; V357-R361 PolarHBondContact O-N 2.83Å
358D94.4Very high94.6Very high41 Ų4145.5 Ų45.522%0.21922%0.22CC..Hα-helixtrans-72.1-29.9-179.3-76.1-22.7000112.8S354 I360 R361 C362 V366 Y371S354-D358 WeakPolarHBondContact O-CB 3.24Å; S354-D358 PolarHBondContact O-N 3.33Å; D358-I360 PolarHBondContact O-N 3.28Å; D358-R361 WeakPolarHBondContact OD1-CD 3.29Å; D358-R361 IonicContact OD1-NE 3.08Å; D358-C362 WeakPolarHBondContact O-CB 2.97Å; D358-C362 PolarHBondContact O-N 3.48Å; D358-C362 PolarHBondContact O-SG 3.33Å; D358-C362 VanDerWaalsContact O-SG 3.41Å; D358-V366 HydrophobicContact CB-CG1 4.44Å; D358-V366 HydrophobicContact CB-CG2 4.09Å; D358-Y371 HydrophobicContact CB-CE1 4.35Å; D358-Y371 VanDerWaalsContact CB-OH 3.29Å; D358-Y371 WeakPolarHBondContact CB-OH 3.5Å; D358-Y371 VanDerWaalsContact OD2-CE1 3.29Å; D358-Y371 WeakPolarHBondContact OD2-CE1 3.47Å; D358-Y371 PolarHBondContact OD2-OH 3.45Å
359C96.1Very high94.3Very high0 Ų047.8 Ų47.80%024%0.24CC..Hα-helixtrans-58.3-32.2168.1-74.20000112.7P282 L283 W355 V357 R363 K364 V366P282-C359 WeakPolarHBondContact CB-O 3.4Å; P282-C359 WeakPolarHBondContact CG-O 3.36Å; L283-C359 HydrophobicContact CD1-CB 4.22Å; L283-C359 HydrophobicContact CD2-CB 3.91Å; L283-C359 HydrophobicContact CG-CB 4.1Å; W355-C359 VanDerWaalsContact CE2-SG 3.58Å; W355-C359 WeakPolarHBondContact O-CB 3.32Å; W355-C359 PolarHBondContact O-N 3.25Å; W355-C359 PolarHBondContact O-SG 2.86Å; V357-C359 PolarHBondContact O-N 3.21Å; C359-R363 PolarHBondContact O-N 3.26Å; C359-K364 CarbonylContact C-O 3.41Å; C359-K364 VanDerWaalsContact CA-O 3.22Å; C359-K364 WeakPolarHBondContact CA-O 3.44Å; C359-K364 PolarHBondContact O-N 3.44Å; C359-K364 VanDerWaalsContact O-N 3.16Å; C359-K364 VanDerWaalsContact O-O 3.07Å; C359-V366 PolarHBondContact SG-N 3.26Å
360I94.2Very high94.1Very high1 Ų150.4 Ų50.41%0.00527%0.265CS..Hα-helixtrans-84.6-50.8179.9-68.8166.9000110.3L234 L276 M304 A308 L356 V357 D358 C362 R363L234-I360 HydrophobicContact CD1-CD1 4.18Å; L234-I360 HydrophobicContact CD1-CG2 3.79Å; L276-I360 HydrophobicContact CB-CG2 4.12Å; L276-I360 HydrophobicContact CD1-CG2 4.32Å; L276-I360 HydrophobicContact CD2-CG2 4.39Å; M304-I360 HydrophobicContact CG-CD1 3.22Å; M304-I360 HydrophobicContact SD-CD1 3.88Å; A308-I360 HydrophobicContact CB-CD1 3.99Å; A308-I360 HydrophobicContact CB-CG1 3.86Å; L356-I360 HydrophobicContact CD1-CD1 4.01Å; L356-I360 HydrophobicContact CG-CD1 4.4Å; L356-I360 WeakPolarHBondContact O-CD1 3.11Å; L356-I360 WeakPolarHBondContact O-CG1 3.47Å; L356-I360 PolarHBondContact O-N 3.13Å; V357-I360 WeakPolarHBondContact O-CA 3.13Å; V357-I360 WeakPolarHBondContact O-CB 3.27Å; V357-I360 PolarHBondContact O-N 3.07Å; D358-I360 PolarHBondContact O-N 3.28Å; I360-C362 VanDerWaalsContact C-N 3.31Å; I360-C362 PolarHBondContact O-N 2.89Å; I360-R363 PolarHBondContact O-N 3.08Å
361R91.5Very high93.9Very high97 Ų9751.7 Ų51.737%0.36627%0.268SS..Hα-helixtrans-55.1-44.9176.2-69.8171.662.7940.7111.9Y274 V357 D358 R363Y274-R361 HydrophobicContact CD1-CG 3.82Å; Y274-R361 HydrophobicContact CE1-CG 4.07Å; V357-R361 HydrophobicContact CG1-CG 4.14Å; V357-R361 WeakPolarHBondContact O-CG 3.12Å; V357-R361 PolarHBondContact O-N 2.83Å; D358-R361 WeakPolarHBondContact OD1-CD 3.29Å; D358-R361 IonicContact OD1-NE 3.08Å; R361-R363 VanDerWaalsContact C-N 3.3Å; R361-R363 PolarHBondContact O-N 3.38Å
362C92.5Very high93.7Very high62 Ų6253.8 Ų53.842%0.41929%0.286SS..THydrogen-bonded Turntrans-83.7-1.3179.4-61.80000114D358 I360 K364 V366D358-C362 WeakPolarHBondContact O-CB 2.97Å; D358-C362 PolarHBondContact O-N 3.48Å; D358-C362 PolarHBondContact O-SG 3.33Å; D358-C362 VanDerWaalsContact O-SG 3.41Å; I360-C362 VanDerWaalsContact C-N 3.31Å; I360-C362 PolarHBondContact O-N 2.89Å; C362-K364 HydrophobicContact CB-CD 4.23Å; C362-K364 HydrophobicContact CB-CG 3.92Å; C362-K364 WeakPolarHBondContact O-CG 3.08Å; C362-K364 PolarHBondContact O-N 3.29Å; C362-V366 HydrophobicContact CB-CG1 3.89Å
363R93.4Very high93.3Very high122 Ų12254.1 Ų54.146%0.4629%0.285SS..THydrogen-bonded Turntrans5425.3179.5-53.7173176.3-140.711.6114.2E280 C359 I360 R361E280-R363 IonicContact OE1-CZ 2.74Å; E280-R363 IonicContact OE1-NH1 3.72Å; E280-R363 PolarHBondContact OE1-NH1 2.65Å; E280-R363 WeakPolarHBondContact OE2-CB 3.24Å; E280-R363 WeakPolarHBondContact OE2-CD 3.44Å; E280-R363 WeakPolarHBondContact OE2-CG 3.42Å; E280-R363 IonicContact OE2-CZ 2.7Å; E280-R363 IonicContact OE2-NE 2.6Å; E280-R363 IonicContact OE2-NH1 3.78Å; E280-R363 PolarHBondContact OE2-NH1 2.84Å; C359-R363 PolarHBondContact O-N 3.26Å; I360-R363 PolarHBondContact O-N 3.08Å; R361-R363 VanDerWaalsContact C-N 3.3Å; R361-R363 PolarHBondContact O-N 3.38Å
364K94.4Very high91.9Very high128 Ų12858.5 Ų58.556%0.55732%0.317SS*.SBendtrans-152.6149.2-176.574-165.7-175.9-171.50108.9C359 C362 V366C359-K364 CarbonylContact C-O 3.41Å; C359-K364 VanDerWaalsContact CA-O 3.22Å; C359-K364 WeakPolarHBondContact CA-O 3.44Å; C359-K364 PolarHBondContact O-N 3.44Å; C359-K364 VanDerWaalsContact O-N 3.16Å; C359-K364 VanDerWaalsContact O-O 3.07Å; C362-K364 HydrophobicContact CB-CD 4.23Å; C362-K364 HydrophobicContact CB-CG 3.92Å; C362-K364 WeakPolarHBondContact O-CG 3.08Å; C362-K364 PolarHBondContact O-N 3.29Å; K364-V366 HydrophobicContact CG-CG1 4.34Å; K364-V366 PolarHBondContact O-N 3.45Å
365R95.1Very high89.6Confident141 Ų14162 Ų6253%0.53234%0.341SS..  trans-60110.4167.1-174.4171.7171.3-158.3-5.8109.2P282 L283 H329 W355P282-R365 WeakPolarHBondContact O-CB 3.39Å; P282-R365 PolarHBondContact O-N 3.1Å; L283-R365 HydrophobicContact CD2-CB 4.25Å; L283-R365 HydrophobicContact CD2-CG 4.06Å; H329-R365 PolarHBondContact CE1-NH2 2.94Å; H329-R365 PolarHBondContact NE2-NH2 3.46Å; W355-R365 HydrophobicContact CZ2-CG 3.96Å
366V95Very high86.8Confident17 Ų1769.2 Ų69.210%0.10337%0.374CS..  trans-76.9157.6173.7-59.70000109.9W355 D358 C359 C362 K364 Y371W355-V366 PolarHBondContact NE1-O 3.2Å; D358-V366 HydrophobicContact CB-CG1 4.44Å; D358-V366 HydrophobicContact CB-CG2 4.09Å; C359-V366 PolarHBondContact SG-N 3.26Å; C362-V366 HydrophobicContact CB-CG1 3.89Å; K364-V366 HydrophobicContact CG-CG1 4.34Å; K364-V366 PolarHBondContact O-N 3.45Å; V366-Y371 HydrophobicContact CG2-CE2 3.7Å
367D93.9Very high83.7Confident105 Ų10573.4 Ų73.456%0.56142%0.418SS*.  trans-64.2147174.2-175.136.9000110.7A369 Y371D367-A369 WeakPolarHBondContact OD2-CB 3.22Å; D367-Y371 VanDerWaalsContact O-CD2 3.24Å; D367-Y371 WeakPolarHBondContact O-CD2 3.44Å; D367-Y371 WeakPolarHBondContact O-CE2 3.47Å
368H91.8Very high80.6Confident70 Ų7076.7 Ų76.732%0.32445%0.453SS..SBendtrans-92.6-20-169.665.6-65.2000113.3L351 A370 Y371 A372L351-H368 HydrophobicContact CD1-CB 3.83Å; L351-H368 HydrophobicContact CD2-CB 3.96Å; L351-H368 WeakPolarHBondContact CD2-O 3.35Å; H368-A370 VanDerWaalsContact C-N 3.28Å; H368-A370 PolarHBondContact O-N 3.39Å; H368-Y371 PolarHBondContact O-N 2.9Å; H368-A372 PolarHBondContact O-N 2.58Å
369A90.6Very high77.6Confident64 Ų6483.5 Ų83.553%0.52948%0.483SS..G310 helixtrans-59.5-36.7-174.500000113.2D367 Y371D367-A369 WeakPolarHBondContact OD2-CB 3.22Å; A369-Y371 PolarHBondContact O-N 3.17Å
370A90.5Very high74.3Confident86 Ų8691.1 Ų91.171%0.71152%0.524SS*.G310 helixtrans-72-7.2178.200000114.6H368H368-A370 VanDerWaalsContact C-N 3.28Å; H368-A370 PolarHBondContact O-N 3.39Å
371Y92.8Very high71.4Confident37 Ų3797.6 Ų97.615%0.14556%0.563CS.*G310 helixtrans-121.31.8-175.7-53.4-92.6000112.8L351 N352 W355 D358 V366 D367 H368 A369L351-Y371 WeakPolarHBondContact CA-O 3.48Å; N352-Y371 PolarHBondContact N-O 3.33Å; N352-Y371 PolarHBondContact ND2-O 3.32Å; W355-Y371 HydrophobicContact CB-CD1 3.89Å; W355-Y371 HydrophobicContact CB-CD2 4.07Å; W355-Y371 HydrophobicContact CB-CG 3.63Å; W355-Y371 AromaticContact CD1-CD2 3.61Å; W355-Y371 HydrophobicContact CG-CD2 4.25Å; W355-Y371 HydrophobicContact CG-CG 4.27Å; W355-Y371 VanDerWaalsContact N-CD1 3.3Å; D358-Y371 HydrophobicContact CB-CE1 4.35Å; D358-Y371 VanDerWaalsContact CB-OH 3.29Å; D358-Y371 WeakPolarHBondContact CB-OH 3.5Å; D358-Y371 VanDerWaalsContact OD2-CE1 3.29Å; D358-Y371 WeakPolarHBondContact OD2-CE1 3.47Å; D358-Y371 PolarHBondContact OD2-OH 3.45Å; V366-Y371 HydrophobicContact CG2-CE2 3.7Å; D367-Y371 VanDerWaalsContact O-CD2 3.24Å; D367-Y371 WeakPolarHBondContact O-CD2 3.44Å; D367-Y371 WeakPolarHBondContact O-CE2 3.47Å; H368-Y371 PolarHBondContact O-N 2.9Å; A369-Y371 PolarHBondContact O-N 3.17Å
372A91.6Very high68.5Low45 Ų4599 Ų9937%0.37259%0.585SS.*BIsolated β-bridgetrans-76.9147.1174.800000110.7C350 L351 H368 S374C350-A372 WeakPolarHBondContact O-CA 3.48Å; L351-A372 HydrophobicContact CD2-CB 4.07Å; H368-A372 PolarHBondContact O-N 2.58Å; A372-S374 PolarHBondContact O-N 3.24Å
373F85.8Confident65.5Low53 Ų53101.7 Ų101.723%0.23260%0.6CS.*PPolyproline II helixtrans-74.8125172.3-66.5-94.3000109.9L332 H333 P335 C350 N352L332-F373 HydrophobicContact CD1-CD2 3.71Å; L332-F373 HydrophobicContact CD1-CE2 3.46Å; L332-F373 VanDerWaalsContact CD1-CE2 3.46Å; L332-F373 HydrophobicContact CD1-CZ 4.06Å; L332-F373 HydrophobicContact CD2-CE2 4.38Å; L332-F373 HydrophobicContact CG-CD2 4.2Å; L332-F373 HydrophobicContact CG-CE2 3.62Å; L332-F373 HydrophobicContact CG-CZ 4.33Å; H333-F373 WeakPolarHBondContact O-CZ 3.13Å; P335-F373 HydrophobicContact CB-CB 3.78Å; P335-F373 HydrophobicContact CB-CD1 3.96Å; P335-F373 HydrophobicContact CB-CG 3.85Å; P335-F373 HydrophobicContact CG-CB 4.28Å; P335-F373 HydrophobicContact CG-CD1 3.85Å; P335-F373 HydrophobicContact CG-CG 4.24Å; C350-F373 PolarHBondContact O-N 2.96Å; N352-F373 HydrophobicContact CB-CE2 4.1Å; N352-F373 HydrophobicContact CB-CZ 3.94Å
374S64.7Low62.6Low113 Ų113104.5 Ų104.579%0.7962%0.618SS**PPolyproline II helixtrans-61.2135.2178.4-61.40000111.6A372A372-S374 PolarHBondContact O-N 3.24Å
375S46.6Very low59.8Low114 Ų114103.5 Ų103.580%0.79763%0.633SS**  trans-98.123.5-176.8-168.90000113.9
376E35.9Very low56.7Low152 Ų152100.6 Ų100.671%0.7165%0.647SS**  trans-112.5119.1173.6-63.3-173.217600108.1K408E376-K408 IonicContact OE1-NZ 3.79Å; E376-K408 PolarHBondContact OE1-NZ 3.22Å; E376-K408 IonicContact OE2-NZ 3.48Å; E376-K408 PolarHBondContact OE2-NZ 3.22Å
377G33Very low53.7Low88 Ų88106 Ų10691%0.90768%0.68SS**  trans170.635.4-173.200000116
378G27.8Very low50.8Low74 Ų74108.8 Ų108.876%0.76370%0.695SS**  trans-136.269.4176.700000110.6
379Q32Very low47.9Very low185 Ų185109.8 Ų109.886%0.86472%0.715SS**SBendtrans-168.5150.1172-112.9165.20.400110.4
380D27.9Very low45.1Very low159 Ų159113.6 Ų113.685%0.8573%0.732SS**  trans-87.8139.1-162.1-37.6-97.5000113.5
381V33.1Very low42.1Very low137 Ų137115.1 Ų115.183%0.8373%0.733SS**  trans-145.8129.6168.5-172.60000110.4
382P29.6Very low39.3Very low126 Ų126118.8 Ų118.882%0.81876%0.764SS**  trans-89.1170.4-17335.1-37.1000116.2
383T29.4Very low36.5Very low120 Ų120124.5 Ų124.574%0.73678%0.783SS**  trans-73129.5-166.8-56.10000116.7
384Q33.9Very low34.1Very low180 Ų180129.1 Ų129.184%0.84181%0.81SS**  trans40.6134.8148.6-56.8170.322.100121.9
385A33.8Very low32.4Very low107 Ų107131.5 Ų131.588%0.88481%0.806SS**  175158106.800000113.1
386G31.8Very low31.7Very low80 Ų80132.8 Ų132.883%0.82580%0.802SS**  trans108.8101.6155.800000117.1
387V31.6Very low31.5Very low131 Ų131130.9 Ų130.979%0.79480%0.801SS**  trans-90.1140.2175.2-1670000110.7
388N32.8Very low31.5Very low164 Ų164135.1 Ų135.188%0.87779%0.794SS**  170.6154.4128.7-87.5-45.7000113.5
389A30.5Very low31.5Very low90 Ų90140 Ų14074%0.74480%0.799SS**  trans-108.8165.4-172.600000113.6
390T31.6Very low31.6Very low144 Ų144136.1 Ų136.188%0.88380%0.799SS**  trans-167.2150138.1-790000111.5
391T28.4Very low31.8Very low118 Ų118135 Ų13572%0.72480%0.798SS**  trans-93.5141.3-172.2-61.80000114.3
392S34.5Very low31.8Very low115 Ų115134.1 Ų134.180%0.80480%0.795SS**  trans-170.7112.9144.8-82.30000109.6
393Q32.5Very low32Very low164 Ų164134 Ų13477%0.76680%0.797SS**  75.3136.774.8-75.8-151.636.900116.4
394L34.2Very low32Very low151 Ų151138.9 Ų138.979%0.79180%0.802SS**  trans96.7136.7174.4-57.2170.4000115.9
395K30.5Very low31.7Very low163 Ų163136.3 Ų136.371%0.70980%0.801SS**  cis172.1120.7-33.3-111.7-172.3-177173.60105.8
396I30.6Very low31.3Very low141 Ų141138.7 Ų138.772%0.72380%0.798SS**  trans48.5121.4134.9-48164.8000116.7
397T32Very low31.3Very low111 Ų111144.2 Ų144.268%0.68180%0.802SS**  -174.5152.869.5-26.60000114.9
398K33.9Very low31.1Very low177 Ų177145.3 Ų145.377%0.7780%0.797SS**  trans7597.3142-92.6165.8-168.1175.60123.4
399M27.1Very low30.9Very low176 Ų176149.1 Ų149.187%0.86780%0.799SS**  53.2106.2122.3-56.2-162.8-51.500122.2
400A33.5Very low30.8Very low105 Ų105150.5 Ų150.587%0.86880%0.803SS**  -157.6158.712900000110.4
401T32Very low30.6Very low135 Ų135150 Ų15083%0.82879%0.793SS**  trans-129.5166.9-177.139.30000110.8
402P33.1Very low30.6Very low118 Ų118148.2 Ų148.277%0.76679%0.791SS**  cis-138.4145.1-28.834.2-16.8000114.3
403S33.5Very low30.2Very low123 Ų123152 Ų15286%0.8680%0.796SS**  trans-156.2146.4163.352.20000113.7
404R29.6Very low30Very low224 Ų224148.7 Ų148.785%0.84578%0.782SS**  trans-67.2160.6165.7-96.4178.5175.1-179.1-2.7110.3
405P28Very low29.7Very low126 Ų126146.7 Ų146.782%0.81878%0.781SS**  cis-128-172.635.638.5-21.1000116
406L26.9Very low29.7Very low157 Ų157148 Ų14882%0.82278%0.783SS**  trans-84149.6174.9-59.886.4000110.4
407E30Very low29.4Very low195 Ų195146.3 Ų146.391%0.91178%0.776SS**  trans-131.8137.4167.6-161.7165.1-120.400109.2
408K27.8Very low29.3Very low155 Ų155145.7 Ų145.767%0.67477%0.771SS**  trans-74.5142.9-173-70.6-171.6174.1-171.30111E376E376-K408 IonicContact OE1-NZ 3.79Å; E376-K408 PolarHBondContact OE1-NZ 3.22Å; E376-K408 IonicContact OE2-NZ 3.48Å; E376-K408 PolarHBondContact OE2-NZ 3.22Å
409R28.9Very low29Very low244 Ų244139.9 Ų139.992%0.92176%0.756SS**  trans-125.9147.4152.9-79.3-169172.4-175.7-3.2109.7
410S27.4Very low29Very low119 Ų119135.7 Ų135.783%0.83274%0.744SS**  trans-68.5142.8-167.237.40000112.9
411I28.4Very low28.7Very low132 Ų132134.5 Ų134.568%0.67773%0.726SS**  trans-112.494.2165.3-70.9170.3000106.4I414I411-I414 HydrophobicContact CB-CD1 4.38Å; I411-I414 HydrophobicContact CD1-CD1 3.9Å; I411-I414 HydrophobicContact CG1-CD1 3.9Å; I411-I414 HydrophobicContact CG2-CB 4.15Å; I411-I414 HydrophobicContact CG2-CD1 3.6Å; I411-I414 HydrophobicContact CG2-CG1 3.75Å
412A27.4Very low28.6Very low82 Ų82130.4 Ų130.468%0.67870%0.703SS**  trans-94.7151.315000000107.2I414A412-I414 PolarHBondContact O-N 2.98Å
413E26.8Very low28.5Very low194 Ų194128.7 Ų128.791%0.90768%0.682SS**  trans50.854.4168.2-57-172.5142.600116.8S415E413-S415 PolarHBondContact O-N 3Å
414I28.3Very low28.5Very low94 Ų94131 Ų13148%0.48267%0.672SS.*  trans-88.391.1157.1-68.3178.3000109.4I411 A412 Y416I411-I414 HydrophobicContact CB-CD1 4.38Å; I411-I414 HydrophobicContact CD1-CD1 3.9Å; I411-I414 HydrophobicContact CG1-CD1 3.9Å; I411-I414 HydrophobicContact CG2-CB 4.15Å; I411-I414 HydrophobicContact CG2-CD1 3.6Å; I411-I414 HydrophobicContact CG2-CG1 3.75Å; A412-I414 PolarHBondContact O-N 2.98Å; I414-Y416 HydrophobicContact CG2-CD2 3.46Å; I414-Y416 VanDerWaalsContact CG2-CD2 3.46Å; I414-Y416 HydrophobicContact CG2-CE2 3.87Å; I414-Y416 HydrophobicContact CG2-CG 4.03Å; I414-Y416 PolarHBondContact O-N 3.25Å
415S27.1Very low28.6Very low110 Ų110124 Ų12477%0.76965%0.651SS**  trans-54.5118.1141.91790000107.6E413 D417E413-S415 PolarHBondContact O-N 3Å; S415-D417 VanDerWaalsContact C-N 3.26Å; S415-D417 PolarHBondContact O-N 3.44Å
416Y30.5Very low28.7Very low190 Ų190122.3 Ų122.375%0.74564%0.635SS**  trans-82.368.9-169.9-128.6-82.7000111.3I414 V418I414-Y416 HydrophobicContact CG2-CD2 3.46Å; I414-Y416 VanDerWaalsContact CG2-CD2 3.46Å; I414-Y416 HydrophobicContact CG2-CE2 3.87Å; I414-Y416 HydrophobicContact CG2-CG 4.03Å; I414-Y416 PolarHBondContact O-N 3.25Å; Y416-V418 VanDerWaalsContact C-N 3.27Å; Y416-V418 HydrophobicContact CD1-CG2 3.8Å; Y416-V418 HydrophobicContact CE1-CG2 4.05Å; Y416-V418 PolarHBondContact O-N 2.84Å
417D25.9Very low28.9Very low106 Ų106120.5 Ų120.557%0.56763%0.626SS**  trans-67.187.1172.2179.69.2000110.8S415 A419 S420S415-D417 VanDerWaalsContact C-N 3.26Å; S415-D417 PolarHBondContact O-N 3.44Å; D417-A419 PolarHBondContact OD1-N 3.23Å; D417-S420 PolarHBondContact OD1-N 3.24Å; D417-S420 PolarHBondContact OD1-OG 3.14Å
418V29.7Very low29Very low98 Ų98120.2 Ų120.259%0.59462%0.617SS**  trans-122.437.7159.4-166.50000108.4Y416Y416-V418 VanDerWaalsContact C-N 3.27Å; Y416-V418 HydrophobicContact CD1-CG2 3.8Å; Y416-V418 HydrophobicContact CE1-CG2 4.05Å; Y416-V418 PolarHBondContact O-N 2.84Å
419A27.5Very low29Very low54 Ų54118.6 Ų118.645%0.44662%0.62SS.*  trans-89.4-21.3167.200000111.3D266 D417 T421D266-A419 HydrophobicContact CB-CB 3.85Å; D417-A419 PolarHBondContact OD1-N 3.23Å; A419-T421 PolarHBondContact O-N 3.47Å
420S27.6Very low28.8Very low89 Ų89116 Ų11662%0.62261%0.612SS**  trans-76.9-12.8-174.154.90000116D417 S422D417-S420 PolarHBondContact OD1-N 3.24Å; D417-S420 PolarHBondContact OD1-OG 3.14Å; S420-S422 PolarHBondContact O-N 3.22Å; S420-S422 VanDerWaalsContact O-N 3.13Å
421T26.1Very low28.7Very low80 Ų80117.8 Ų117.849%0.49161%0.607SS.*SBendtrans-80.893.3169.9-180000109.7A419 L426A419-T421 PolarHBondContact O-N 3.47Å; T421-L426 HydrophobicContact CG2-CD1 3.81Å
422S30.5Very low28.5Very low49 Ų49115 Ų11534%0.34360%0.597SS.*  trans-53.6148-179.7-170.50000111.7S420 R424 D425S420-S422 PolarHBondContact O-N 3.22Å; S420-S422 VanDerWaalsContact O-N 3.13Å; S422-R424 PolarHBondContact O-N 3.18Å; S422-R424 PolarHBondContact OG-N 3.32Å; S422-D425 WeakPolarHBondContact CB-OD2 3.26Å; S422-D425 PolarHBondContact O-N 2.86Å
423Y31.1Very low28.4Very low82 Ų82120.6 Ų120.632%0.32261%0.606SS.*Hα-helixtrans-51.3-24.1169.5-138.2-82.6000111.9
424R32.7Very low28.4Very low171 Ų171122 Ų12265%0.64560%0.603SS**Hα-helixtrans-72.5-18.4179.4-64.3177.3170.3-178.8-4.2115.7S422 R428S422-R424 PolarHBondContact O-N 3.18Å; S422-R424 PolarHBondContact OG-N 3.32Å; R424-R428 VanDerWaalsContact O-CD 3.29Å; R424-R428 WeakPolarHBondContact O-CD 3.49Å; R424-R428 WeakPolarHBondContact O-CG 3.47Å
425D31Very low28.3Very low76 Ų76127 Ų12741%0.40662%0.622SS.*Hα-helixtrans-100.6-27.7-166.7-69.2-52.1000115.2S422S422-D425 WeakPolarHBondContact CB-OD2 3.26Å; S422-D425 PolarHBondContact O-N 2.86Å
426L31.5Very low28.3Very low92 Ų92131.6 Ų131.648%0.48263%0.628SS.*Hα-helixtrans-78.8-41.5178.4-80.9107.2000113.5T421 R428 T429T421-L426 HydrophobicContact CG2-CD1 3.81Å; L426-R428 PolarHBondContact O-N 3.42Å; L426-T429 PolarHBondContact O-N 3Å; L426-T429 VanDerWaalsContact O-N 3.11Å; L426-T429 PolarHBondContact O-OG1 3.27Å
427D31.4Very low28.1Very low118 Ų118125.5 Ų125.563%0.63162%0.623SS**G310 helixtrans-64.1-22.2178.1-91.5-30.7000113T429 Y430D427-T429 PolarHBondContact O-N 2.91Å; D427-T429 VanDerWaalsContact O-N 3.13Å; D427-Y430 PolarHBondContact O-N 2.89Å
428R30.9Very low28.4Very low190 Ų190126.2 Ų126.272%0.71764%0.636SS**G310 helixtrans-63.5-15.6174.4-78.2178.5164.7-169.1-7.2114.3R424 L426R424-R428 VanDerWaalsContact O-CD 3.29Å; R424-R428 WeakPolarHBondContact O-CD 3.49Å; R424-R428 WeakPolarHBondContact O-CG 3.47Å; L426-R428 PolarHBondContact O-N 3.42Å
429T28.7Very low28.3Very low121 Ų121129.5 Ų129.574%0.74265%0.649SS**G310 helixtrans-98.5-10.1-176.5610000115.1L426 D427 Q431L426-T429 PolarHBondContact O-N 3Å; L426-T429 VanDerWaalsContact O-N 3.11Å; L426-T429 PolarHBondContact O-OG1 3.27Å; D427-T429 PolarHBondContact O-N 2.91Å; D427-T429 VanDerWaalsContact O-N 3.13Å; T429-Q431 PolarHBondContact O-N 2.89Å
430Y25Very low28.7Very low190 Ų190132.1 Ų132.175%0.74566%0.661SS**  trans-101.873.9176.1-159.7-95.8000112.8D427 P432D427-Y430 PolarHBondContact O-N 2.89Å; Y430-P432 HydrophobicContact CE1-CB 4.34Å; Y430-P432 VanDerWaalsContact O-CD 3.26Å; Y430-P432 WeakPolarHBondContact O-CD 3.29Å
431Q24Very low29.1Very low156 Ų156134 Ų13473%0.72967%0.671SS**  trans-81.5109.6167.3-79.3-78.9-33.600110.1T429 K433T429-Q431 PolarHBondContact O-N 2.89Å; Q431-K433 PolarHBondContact O-N 2.88Å
432P25.5Very low29.2Very low74 Ų74137.9 Ų137.948%0.48169%0.688SS.*  trans-74.496.4-179.131.2-35000110.4Y430 W434Y430-P432 HydrophobicContact CE1-CB 4.34Å; Y430-P432 VanDerWaalsContact O-CD 3.26Å; Y430-P432 WeakPolarHBondContact O-CD 3.29Å; P432-W434 PolarHBondContact O-N 3.42Å
433K24Very low29.6Very low198 Ų198140.7 Ų140.786%0.86171%0.705SS**  trans-71.658.8-177.3-74-177175.4173.80114.1Q431 K435Q431-K433 PolarHBondContact O-N 2.88Å; K433-K435 VanDerWaalsContact C-N 3.3Å; K433-K435 PolarHBondContact O-N 3.17Å
434W27.2Very low29.8Very low223 Ų223145.4 Ų145.485%0.84573%0.73SS**  trans-77.277.3169.2-65109000111.3P432 F436P432-W434 PolarHBondContact O-N 3.42Å; W434-F436 PolarHBondContact O-N 3.17Å
435K27.5Very low29.9Very low201 Ų201145.3 Ų145.387%0.87474%0.737SS**  trans-79.2104.4161.2-78.2-163.8172.9-168.20109.1K433 G437K433-K435 VanDerWaalsContact C-N 3.3Å; K433-K435 PolarHBondContact O-N 3.17Å; K435-G437 PolarHBondContact O-N 3.23Å
436F25.2Very low30.1Very low206 Ų206148 Ų14890%0.90475%0.75SS**  trans-65.8123.5160.6-79.9-93.2000109.1W434W434-F436 PolarHBondContact O-N 3.17Å
437G28.3Very low30.4Very low61 Ų61151.5 Ų151.563%0.62976%0.764SS**  trans174.5115.217700000114.9K435K435-G437 PolarHBondContact O-N 3.23Å
438S30.2Very low30.7Very low121 Ų121150 Ų15085%0.84676%0.761SS**  trans55120.8161.354.20000119.6
439I28.1Very low30.9Very low168 Ų168150.2 Ų150.286%0.86277%0.767SS**PPolyproline II helixtrans-94.9128.4170-63163.8000109.7
440P37Very low31.2Very low109 Ų109154.3 Ų154.371%0.70878%0.775SS**PPolyproline II helixtrans-85.3149.6161.4-8.927.7000111.9
441P35.7Very low31.5Very low127 Ų127155.2 Ų155.283%0.82578%0.782SS**PPolyproline II helixtrans-83.6164.2-17333.7-36.7000115.3
442L28.1Very low31.9Very low163 Ų163153 Ų15385%0.85378%0.779SS**PPolyproline II helixtrans-101.9152.5174.1-81.2110.1000112.7
443P39.3Very low32.3Very low107 Ų107154.6 Ų154.670%0.69578%0.783SS**PPolyproline II helixtrans-86.51391340.520.5000109.4
444E35.3Very low33.3Very low182 Ų182151.3 Ų151.385%0.8578%0.78SS**  cis66.211745-162.4165.1-11900110.9
445E34.6Very low34.2Very low169 Ų169144.8 Ų144.879%0.7977%0.768SS**  cis-101.6-150.611.1-55.1-179.882.800112.6
446L34.6Very low35.3Very low132 Ų132141.5 Ų141.569%0.69176%0.756SS**  cis-154.1109-0.7-143.7167.1000112.7
447E38.9Very low36.3Very low166 Ų166136.4 Ų136.478%0.77674%0.737SS**  trans55.1155.1155.4-70.5-7389.600124.1
448P36.9Very low37.1Very low86 Ų86136 Ų13656%0.55873%0.727SS**  trans-142.3-176.2-145.843.7-23.3000116
449K35.1Very low38.8Very low194 Ų194134.1 Ų134.184%0.84371%0.714SS**SBendtrans-170.1150.8131.4-97.3135.6-161.1151.40110.6
450K34.2Very low40.4Very low208 Ų208128.6 Ų128.690%0.90469%0.694SS**  trans69.760.4178.7-55.8-178.7179.41780117.1
451K31.5Very low41.2Very low208 Ų208128.8 Ų128.890%0.90469%0.689SS**  trans-124.178150.8-87.7-169.3177.3178.80110.7
452V32.8Very low42.2Very low110 Ų110128.3 Ų128.367%0.66768%0.677SS**  trans-142.7156.7164.1-174.70000106.1
453I33.9Very low44.1Very low107 Ų107122.3 Ų122.355%0.54965%0.648SS.*SBendtrans105-41.6-178.5-60163.7000115S455 L457I453-S455 VanDerWaalsContact C-N 3.34Å; I453-S455 PolarHBondContact O-N 3.09Å; I453-L457 HydrophobicContact CG2-CB 3.95Å; I453-L457 HydrophobicContact CG2-CD2 4.12Å; I453-L457 WeakPolarHBondContact O-CB 3.21Å; I453-L457 PolarHBondContact O-N 3.22Å
454T44.1Very low45Very low130 Ų130119.5 Ų119.580%0.79863%0.634SS**THydrogen-bonded Turntrans-70.9-17.4-167.250.90000116.6
455S47.2Very low45.5Very low86 Ų86117.6 Ų117.660%0.60162%0.623SS**THydrogen-bonded Turntrans-96.3-47.6172.550.50000112.3I453 L457 A458 S459I453-S455 VanDerWaalsContact C-N 3.34Å; I453-S455 PolarHBondContact O-N 3.09Å; S455-L457 VanDerWaalsContact C-N 3.34Å; S455-L457 PolarHBondContact O-N 2.73Å; S455-A458 PolarHBondContact O-N 3.44Å; S455-S459 PolarHBondContact O-N 3.31Å
456E50.4Low46.6Very low132 Ų132115.4 Ų115.462%0.61761%0.613SS**Hα-helixtrans-61.5-40.2177.8-68.5-176.9134.500112A458 S459 A460E456-A458 VanDerWaalsContact C-N 3.31Å; E456-A458 PolarHBondContact O-N 3.3Å; E456-S459 PolarHBondContact O-N 2.77Å; E456-A460 WeakPolarHBondContact O-CB 3.27Å; E456-A460 PolarHBondContact O-N 2.85Å
457L45.2Very low47.7Very low99 Ų99116.3 Ų116.352%0.51861%0.607SS.*Hα-helixtrans-66.2-34.9176.6-167.571.1000111.7I453 S455 L461I453-L457 HydrophobicContact CG2-CB 3.95Å; I453-L457 HydrophobicContact CG2-CD2 4.12Å; I453-L457 WeakPolarHBondContact O-CB 3.21Å; I453-L457 PolarHBondContact O-N 3.22Å; S455-L457 VanDerWaalsContact C-N 3.34Å; S455-L457 PolarHBondContact O-N 2.73Å; L457-L461 HydrophobicContact CG-CD1 4.16Å; L457-L461 VanDerWaalsContact O-CB 3.23Å; L457-L461 WeakPolarHBondContact O-CB 3.03Å; L457-L461 WeakPolarHBondContact O-CD1 3.43Å; L457-L461 WeakPolarHBondContact O-CG 3.34Å; L457-L461 PolarHBondContact O-N 3.34Å
458A46.3Very low48.1Very low51 Ų51112.7 Ų112.742%0.42160%0.596SS.*Hα-helixtrans-69-44.6175.600000111.6S455 E456 L461 M462S455-A458 PolarHBondContact O-N 3.44Å; E456-A458 VanDerWaalsContact C-N 3.31Å; E456-A458 PolarHBondContact O-N 3.3Å; A458-L461 PolarHBondContact O-N 3.23Å; A458-M462 WeakPolarHBondContact O-CG 3.29Å; A458-M462 PolarHBondContact O-N 3.02Å
459S65.7Low48.3Very low82 Ų82113.1 Ų113.157%0.57359%0.594SS**Hα-helixtrans-66.8-38.9175.8-176.10000112.2S455 E456 M462 S463S455-S459 PolarHBondContact O-N 3.31Å; E456-S459 PolarHBondContact O-N 2.77Å; S459-M462 PolarHBondContact O-N 2.9Å; S459-S463 WeakPolarHBondContact O-CB 3.45Å; S459-S463 PolarHBondContact O-N 3.44Å
460A61.5Low49Very low53 Ų53106.8 Ų106.844%0.43858%0.577SS.*Hα-helixtrans-67.3-38.7174.400000112.2E456 A464E456-A460 WeakPolarHBondContact O-CB 3.27Å; E456-A460 PolarHBondContact O-N 2.85Å; A460-A464 WeakPolarHBondContact O-CB 3.36Å; A460-A464 PolarHBondContact O-N 2.86Å
461L53.9Low49.5Very low112 Ų112104 Ų10459%0.58657%0.568SS**Hα-helixtrans-64.8-46173.5-80.6166.8000111.5L457 A458 A464 F465L457-L461 HydrophobicContact CG-CD1 4.16Å; L457-L461 VanDerWaalsContact O-CB 3.23Å; L457-L461 WeakPolarHBondContact O-CB 3.03Å; L457-L461 WeakPolarHBondContact O-CD1 3.43Å; L457-L461 WeakPolarHBondContact O-CG 3.34Å; L457-L461 PolarHBondContact O-N 3.34Å; A458-L461 PolarHBondContact O-N 3.23Å; L461-A464 PolarHBondContact O-N 3.5Å; L461-F465 WeakPolarHBondContact O-CB 3.17Å; L461-F465 PolarHBondContact O-N 2.88Å
462M56.9Low50Low118 Ų11899.1 Ų99.158%0.58156%0.56SS**Hα-helixtrans-61.9-47.3175.2-69.7-62-67.100111.4A458 S459 A464 F465 E466A458-M462 WeakPolarHBondContact O-CG 3.29Å; A458-M462 PolarHBondContact O-N 3.02Å; S459-M462 PolarHBondContact O-N 2.9Å; M462-A464 VanDerWaalsContact C-N 3.27Å; M462-A464 PolarHBondContact O-N 3.35Å; M462-F465 WeakPolarHBondContact O-CB 3.47Å; M462-F465 PolarHBondContact O-N 2.81Å; M462-F465 VanDerWaalsContact O-N 3.12Å; M462-E466 WeakPolarHBondContact O-CB 3.35Å; M462-E466 WeakPolarHBondContact O-CG 3.43Å; M462-E466 PolarHBondContact O-N 2.9Å
463S68.8Low50.5Low36 Ų3697.6 Ų97.625%0.25256%0.559SS.*Hα-helixtrans-69.2-21.8178.8-1720000113.7S459 R467S459-S463 WeakPolarHBondContact O-CB 3.45Å; S459-S463 PolarHBondContact O-N 3.44Å; S463-R467 WeakPolarHBondContact O-CB 3.33Å; S463-R467 WeakPolarHBondContact O-CG 3.43Å; S463-R467 PolarHBondContact O-N 3.35Å; S463-R467 PolarHBondContact O-NE 2.93Å; S463-R467 PolarHBondContact OG-NH2 3.45Å
464A57Low50.6Low48 Ų48101.3 Ų101.340%0.39757%0.571SS.*Hα-helixtrans-78.4-40.6168.700000111.3A460 L461 M462 R467 V468A460-A464 WeakPolarHBondContact O-CB 3.36Å; A460-A464 PolarHBondContact O-N 2.86Å; L461-A464 PolarHBondContact O-N 3.5Å; M462-A464 VanDerWaalsContact C-N 3.27Å; M462-A464 PolarHBondContact O-N 3.35Å; A464-R467 PolarHBondContact O-N 3.47Å; A464-V468 WeakPolarHBondContact O-CG2 3.37Å; A464-V468 PolarHBondContact O-N 2.87Å
465F45.4Very low50.2Low142 Ų142104 Ų10462%0.62358%0.575SS**Hα-helixtrans-65-41.5176.8-157.2-97.7000111.6L461 M462 N469L461-F465 WeakPolarHBondContact O-CB 3.17Å; L461-F465 PolarHBondContact O-N 2.88Å; M462-F465 WeakPolarHBondContact O-CB 3.47Å; M462-F465 PolarHBondContact O-N 2.81Å; M462-F465 VanDerWaalsContact O-N 3.12Å; F465-N469 WeakPolarHBondContact CD1-ND2 3.41Å; F465-N469 WeakPolarHBondContact CE1-ND2 3.26Å; F465-N469 WeakPolarHBondContact O-CB 3.38Å; F465-N469 PolarHBondContact O-N 3.44Å; F465-N469 PolarHBondContact O-ND2 3.23Å
466E58.8Low49.5Very low123 Ų123109.7 Ų109.758%0.57559%0.592SS**Hα-helixtrans-63.6-42.3170.7-72.7176.5155.300111.9M462 N469 A470M462-E466 WeakPolarHBondContact O-CB 3.35Å; M462-E466 WeakPolarHBondContact O-CG 3.43Å; M462-E466 PolarHBondContact O-N 2.9Å; E466-N469 PolarHBondContact O-N 2.82Å; E466-A470 VanDerWaalsContact O-CB 3.22Å; E466-A470 WeakPolarHBondContact O-CB 3.35Å; E466-A470 PolarHBondContact O-N 3.2Å
467R57.6Low48.8Very low152 Ų152107.3 Ų107.357%0.57459%0.594SS**Hα-helixtrans-65.9-40176.6-87.9178.5-89.9-167.7-10.8113.3S463 A464 A470 Q471S463-R467 WeakPolarHBondContact O-CB 3.33Å; S463-R467 WeakPolarHBondContact O-CG 3.43Å; S463-R467 PolarHBondContact O-N 3.35Å; S463-R467 PolarHBondContact O-NE 2.93Å; S463-R467 PolarHBondContact OG-NH2 3.45Å; A464-R467 PolarHBondContact O-N 3.47Å; R467-A470 PolarHBondContact O-N 3.07Å; R467-Q471 WeakPolarHBondContact O-CB 3.41Å; R467-Q471 WeakPolarHBondContact O-CG 3.33Å; R467-Q471 PolarHBondContact O-N 3.41Å
468V46.2Very low48.2Very low89 Ų89110.4 Ų110.454%0.53961%0.612SS.*Hα-helixtrans-64.5-43.4174.9170.30000110.8A464 Q471 S472A464-V468 WeakPolarHBondContact O-CG2 3.37Å; A464-V468 PolarHBondContact O-N 2.87Å; V468-Q471 PolarHBondContact O-N 3.16Å; V468-S472 PolarHBondContact O-N 3.37Å; V468-S472 PolarHBondContact O-OG 2.96Å
469N42.2Very low47.4Very low96 Ų96114.4 Ų114.451%0.51364%0.635SS.*Hα-helixtrans-68-33.3175.6-72.8-34.7000113F465 E466F465-N469 WeakPolarHBondContact CD1-ND2 3.41Å; F465-N469 WeakPolarHBondContact CE1-ND2 3.26Å; F465-N469 WeakPolarHBondContact O-CB 3.38Å; F465-N469 PolarHBondContact O-N 3.44Å; F465-N469 PolarHBondContact O-ND2 3.23Å; E466-N469 PolarHBondContact O-N 2.82Å
470A49Very low45.9Very low60 Ų60118 Ų11850%0.49665%0.647SS.*Hα-helixtrans-73-33176.100000112.9E466 R467 A473E466-A470 VanDerWaalsContact O-CB 3.22Å; E466-A470 WeakPolarHBondContact O-CB 3.35Å; E466-A470 PolarHBondContact O-N 3.2Å; R467-A470 PolarHBondContact O-N 3.07Å; A470-A473 PolarHBondContact O-N 3.42Å
471Q44.8Very low44.6Very low150 Ų150120.4 Ų120.470%0.70166%0.662SS**Hα-helixtrans-72.2-30.4176.5-73.4-177.3-72.400112.4R467 V468 A473R467-Q471 WeakPolarHBondContact O-CB 3.41Å; R467-Q471 WeakPolarHBondContact O-CG 3.33Å; R467-Q471 PolarHBondContact O-N 3.41Å; V468-Q471 PolarHBondContact O-N 3.16Å; Q471-A473 PolarHBondContact O-N 2.94Å
472S42.7Very low43.4Very low106 Ų106120.2 Ų120.274%0.74167%0.67SS**THydrogen-bonded Turntrans-74.52.6169.5-59.90000114.4V468V468-S472 PolarHBondContact O-N 3.37Å; V468-S472 PolarHBondContact O-OG 2.96Å
473A42.9Very low42.3Very low77 Ų77120.9 Ų120.964%0.63668%0.675SS**THydrogen-bonded Turntrans-111.616.8-17900000113.5A470 Q471A470-A473 PolarHBondContact O-N 3.42Å; Q471-A473 PolarHBondContact O-N 2.94Å
474F36.9Very low40.5Very low185 Ų185126.8 Ų126.881%0.81170%0.699SS**SBendtrans-135.328.7-173.2-137.9-89.8000115.5
475E34.1Very low39.3Very low188 Ų188132.5 Ų132.588%0.87972%0.72SS**SBendtrans-122.2-2.2169.5-76.4-175.8156.800114.4A477E475-A477 VanDerWaalsContact C-N 3.29Å; E475-A477 PolarHBondContact O-N 3.01Å
476E33.7Very low38.7Very low205 Ų205129.7 Ų129.796%0.95872%0.718SS**SBendtrans-87.656.3169-70.4-163.714600112.4
477A36.3Very low37.5Very low81 Ų81134.1 Ų134.167%0.66973%0.729SS**SBendtrans-153140.4168.700000112.6E475E475-A477 VanDerWaalsContact C-N 3.29Å; E475-A477 PolarHBondContact O-N 3.01Å
478N31.8Very low36.5Very low165 Ų165133.4 Ų133.488%0.88274%0.736SS**  trans56.980.5171-73.4-8.1000118.4
479C29Very low35.9Very low134 Ų134136.7 Ų136.791%0.90575%0.75SS**  trans-146.262.7142.356.30000112.3
480N34.2Very low35.7Very low157 Ų157137.7 Ų137.784%0.8476%0.761SS**  trans-106.6147.7161.3-108.3-26.4000109.5
481S33.9Very low34.8Very low105 Ų105139.6 Ų139.673%0.73477%0.771SS**SBendtrans55.6106.9170.657.60000119.6
482S30.5Very low34.1Very low108 Ų108137.7 Ų137.776%0.75577%0.774SS**  82.3125.5124-520000122.3
483N32.1Very low33.7Very low131 Ų131137.2 Ų137.270%0.70178%0.776SS**  trans75.3129.4142.7-78.331.4000123
484E31Very low33.3Very low161 Ų161142.9 Ų142.975%0.75279%0.787SS**  trans73.296.4133.7-67.9174.813500121.5
485M33.4Very low33.2Very low168 Ų168143.6 Ų143.683%0.82879%0.79SS**  101.8117.3105.8-161.7167.7-155.400119.9
486S32.3Very low33.3Very low83 Ų83142.4 Ų142.458%0.5879%0.79SS**  trans84.9119.1147.4-77.10000123.4
487R33.3Very low33.5Very low215 Ų215137.7 Ų137.781%0.81178%0.777SS**  95.8122.5130-71.4168.5-175.81760.5122.6
488N36.3Very low33.4Very low137 Ų137141.9 Ų141.973%0.73379%0.787SS**  trans7199.4140.4-51.9-2.6000119.4
489I34.2Very low33.5Very low159 Ų159139.5 Ų139.582%0.81578%0.782SS**  52.6126.761.1-47.9177.4000113.3
490P36.6Very low33.8Very low116 Ų116143.5 Ų143.575%0.75378%0.784SS**  cis-145.8-165.3-26.742.8-22.6000115.7
491S30.8Very low33.7Very low100 Ų100147 Ų14770%0.69979%0.785SS**  trans94121141.8-160.10000124.1
492S29.6Very low33.8Very low111 Ų111148.8 Ų148.878%0.77679%0.791SS**  trans63.6113.2140.862.60000122.7
493A35Very low34.1Very low95 Ų95147.9 Ų147.979%0.78579%0.791SS**  trans-154.8144.7156.900000113.5
494F33.8Very low34.3Very low197 Ų197144.9 Ų144.986%0.86479%0.79SS**  trans-0.4131.2164.8-60.4-97.1000120.3
495K35.5Very low34.6Very low200 Ų200144.7 Ų144.787%0.8779%0.794SS**  cis83.9121.248.8-79.1-168.4173178.40116.8
496N35.7Very low34.6Very low163 Ų163142.7 Ų142.787%0.87279%0.787SS**  trans-68.8155.6173.4-96.5-13.2000115.3
497P37.8Very low34.9Very low105 Ų105146.2 Ų146.268%0.68279%0.794SS**  trans-118.4164.8138.341.1-31.3000110.3
498L35.1Very low35.1Very low169 Ų169140.8 Ų140.889%0.88579%0.789SS**  cis-136.4155.520.3-73.6162.3000111.8
499C32.7Very low35.2Very low115 Ų115137.9 Ų137.978%0.77778%0.784SS**  trans-116.2165.6170.9-52.10000111.4
500K36.9Very low35.2Very low219 Ų219140.7 Ų140.795%0.95278%0.784SS**  trans-126.3143142.5-86.7-171.5173.2179.50110
501R31.4Very low35.4Very low229 Ų229141.9 Ų141.986%0.86478%0.78SS**  trans-115.7150.1-173.1-67.5174172.1162.5-5.9111.2
502V36.6Very low35.8Very low143 Ų143143 Ų14387%0.86778%0.783SS**  trans-144.5103.5137.7-172.60000103.5
503A35.8Very low36.1Very low90 Ų90142.9 Ų142.974%0.74478%0.781SS**  67.7115.562.100000112.7
504G36.2Very low36.3Very low67 Ų67143.4 Ų143.469%0.69178%0.779SS**  cis169.2-167.8-3.800000111.8
505L36.7Very low36.6Very low157 Ų157139.3 Ų139.382%0.82277%0.772SS**  trans70.9116.2172.2-56.8173.2000114.2
506N35.1Very low36.5Very low127 Ų127135.3 Ų135.368%0.67976%0.764SS**  79.6145.374.5-71.227.7000111.6
507E37.2Very low36.5Very low156 Ų156138 Ų13873%0.72976%0.762SS**  cis-153.1171.720.4-144.7140.4-115.600114.1
508S37.2Very low36.2Very low101 Ų101137.4 Ų137.471%0.70677%0.766SS**  trans5.1154.7157.165.90000122.3
509A39.1Very low36.1Very low77 Ų77136 Ų13664%0.63676%0.759SS**  cis-151.4152.62200000111.1
510R35.4Very low36.3Very low217 Ų217138.4 Ų138.482%0.81976%0.758SS**  56.7147.394.5-49.3-177.3-179172-1.4114.7
511Q40.6Very low36.1Very low141 Ų141132.8 Ų132.866%0.65975%0.746SS**  cis-165.6139.124.2-149.4148.1-44.500113.2
512T37.8Very low36.7Very low123 Ų123127.1 Ų127.176%0.75574%0.739SS**  trans59.1159.9147.950.80000119.9
513C36.5Very low36.7Very low109 Ų109124.7 Ų124.774%0.73673%0.728SS**  cis-164.9175.6-9.2-111.80000107.6
514S38.4Very low36.8Very low106 Ų106127.7 Ų127.774%0.74173%0.732SS**  cis-157.4167.3-2.5-120.20000110.7
515P41.1Very low36.9Very low111 Ų111129.1 Ų129.172%0.72174%0.738SS**  trans-128.6-164.1-168.228.5-4.2000115.5
516V33.5Very low37Very low116 Ų116125.9 Ų125.970%0.70373%0.733SS**  trans104.4140.7149.9177.90000120.3
517R34.4Very low37Very low220 Ų220126.1 Ų126.183%0.8374%0.739SS**  trans73.1130.5169.7-80.1158-176.7158-0.4117
518A32.1Very low37Very low92 Ų92125.1 Ų125.176%0.7674%0.743SS**  cis74.7119.86.200000119
519L34.1Very low37.1Very low141 Ų141125.3 Ų125.374%0.73874%0.742SS**  trans161110.6157.6-87.6158.1000108.1
520Q35.7Very low36.9Very low165 Ų165129 Ų12977%0.77175%0.75SS**  86.1107.897.4-83.4-175.7-12.100118.3
521S33.2Very low36.7Very low100 Ų100123.1 Ų123.170%0.69974%0.743SS**  23163.4122.461.30000122.9
522P43.7Very low36.3Very low110 Ų110124.6 Ų124.671%0.71475%0.751SS**  cis-141.4-170.5-2.530-4000116.8
523S37.3Very low36.1Very low92 Ų92127 Ų12764%0.64375%0.754SS**  trans57.8121.2139.860.10000124.2
524D36.8Very low36Very low154 Ų154125.7 Ų125.782%0.82475%0.751SS**  -179129.6106.2-96.6-9.9000111.8
525A39.1Very low35.6Very low97 Ų97130.6 Ų130.680%0.80276%0.759SS**  83.6140.4101.800000115.7
526A38.2Very low35.4Very low89 Ų89131.1 Ų131.174%0.73676%0.763SS**  cis-168.1-175.6-11.300000111.7
527V36.2Very low35.4Very low132 Ų132129.1 Ų129.180%0.877%0.766SS**  trans83.7122.8166.1-167.70000116.8
528V37Very low35.2Very low134 Ų134123.1 Ų123.181%0.81276%0.763SS**  cis115.9141.68.4174.60000112.1
529P39.5Very low35.2Very low106 Ų106125.3 Ų125.369%0.68876%0.762SS**  -132.4-128.2-121.946.6-32.3000115.7
530L34.5Very low35.2Very low154 Ų154125.2 Ų125.281%0.80676%0.758SS**  trans90.2159.1168.8-56.6169.1000117.6
531S31Very low35.1Very low94 Ų94123.2 Ų123.266%0.65775%0.752SS**  cis180139.2-42.5-98.90000112.1
532M31.5Very low35Very low171 Ų171124.6 Ų124.684%0.84276%0.757SS**  trans61.8168.5170.4-43.1-172.7-53.900115.1
533E33.7Very low34.8Very low175 Ų175123.8 Ų123.882%0.81875%0.751SS**  cis-147.2171.39.7-92.3-160.9-108.800108.3
534A34.2Very low34.4Very low81 Ų81128.5 Ų128.567%0.66976%0.763SS**  cis-167.5-167.9-14.700000110.2
535F30.9Very low34.2Very low208 Ų208124.3 Ų124.391%0.91276%0.757SS**  trans-92.5-175.8171.3-85.3-92.5000111.5
536P37Very low33.7Very low123 Ų123126.3 Ų126.380%0.79976%0.758SS**  cis-136.8-171.23.143.2-24.8000116.4
537G33.8Very low33.2Very low74 Ų74127.8 Ų127.876%0.76376%0.758SS**  trans110.9120158.400000114.7
538A30Very low32.7Very low93 Ų93126.8 Ų126.877%0.76975%0.752SS**  cis112.3136.715.600000112.9
539D32.2Very low32.3Very low139 Ų139126.1 Ų126.174%0.74375%0.749SS**  trans66.5148.9167.9-703.2000118.1
540Q32.7Very low31.8Very low139 Ų139128.7 Ų128.765%0.6576%0.756SS**  cis-161.8155.6-2.5-123173.46300111.8
541N33.3Very low31.5Very low122 Ų122131.7 Ų131.765%0.65276%0.758SS**  trans63.2134.4155-53.4-32.2000120
542V32.5Very low31.7Very low130 Ų130131.4 Ų131.479%0.78875%0.754SS**  cis81.8137.437.61760000112.2
543P38.7Very low31.6Very low92 Ų92133.2 Ų133.260%0.59775%0.753SS**  cis-135.5-173.72.238.1-17.6000117.4
544E29.9Very low31.7Very low191 Ų191132.5 Ų132.589%0.89375%0.754SS**  trans65.2148.6137.6-80.3154.6-148.100125
545G31.2Very low31.5Very low67 Ų67133.4 Ų133.469%0.69175%0.753SS**  trans135.696.4172.900000112.7
546V28.8Very low31.2Very low138 Ų138129 Ų12984%0.83674%0.743SS**  60.1112.755.4-174.20000110.4
547V28.3Very low30.6Very low120 Ų120132.2 Ų132.273%0.72775%0.745SS**  cis-155.4159.49.4102.30000112.8
548T26.8Very low30.3Very low111 Ų111134.6 Ų134.668%0.68175%0.749SS**  trans2166.7151.3-37.40000121.9
549T27.6Very low30.2Very low121 Ų121138.6 Ų138.674%0.74275%0.752SS**  trans83.3141.7167.169.10000116.1
550L29.9Very low30.2Very low160 Ų160141.4 Ų141.484%0.83876%0.761SS**  cis-156.8151.3-2.1-119.4163.9000111.1
551Y27.6Very low29.9Very low217 Ų217141 Ų14185%0.85177%0.768SS**  trans-70.6172.6153.8-85.3-98000109.9
552P34.3Very low30Very low88 Ų88139.3 Ų139.357%0.57177%0.771SS**  cis-127.1-162-7.140.2-23.2000112.2
553Y30.2Very low29.9Very low208 Ų208140.3 Ų140.382%0.81677%0.772SS**  155.6104.2126.2-86.8-68.3000113.5
554L35.3Very low29.7Very low161 Ų161142.1 Ų142.184%0.84378%0.781SS**  -63.5146.8129.5-78.4163000106.7
555P29.6Very low29.8Very low99 Ų99137.1 Ų137.164%0.64377%0.772SS**  -164.5-176.670.243.2-20.6000118.8
556V25Very low30.4Very low117 Ų117139.2 Ų139.271%0.70977%0.774SS**  trans70.4122.8137158.10000121.9
557F24.9Very low30.7Very low190 Ų190139.1 Ų139.183%0.83377%0.773SS**  trans20136.1144.8-60-107.7000121.5
558S27.1Very low31.2Very low123 Ų123137.7 Ų137.786%0.8677%0.769SS**  -171.6168.497.933.50000112.7
559E28.3Very low31.6Very low177 Ų177139.8 Ų139.883%0.82778%0.776SS**  trans-84.3154.1-169.4-53.4158.6113.700113.3
560Q31.6Very low32.3Very low199 Ų199139 Ų13993%0.9377%0.773SS**  -157139.3126.7-115.8160.85200114
561T28.2Very low32.6Very low130 Ų130136.2 Ų136.280%0.79877%0.773SS**  trans-77.8149-173.951.50000114.3
562A34.2Very low32.9Very low87 Ų87135.2 Ų135.272%0.71977%0.769SS**  trans-167.4107.9135.200000114.9
563N31.4Very low33.1Very low150 Ų150136 Ų13680%0.80278%0.783SS**  70.2123.7128.5-64-12.6000124.6
564V32.9Very low33.1Very low131 Ų131134.1 Ų134.179%0.79478%0.782SS**  trans74.4105.6141.9-1800000116.7
565A33Very low33.1Very low85 Ų85134.3 Ų134.370%0.70278%0.784SS**  cis75.1159.233.100000115.2
566P43.3Very low33.3Very low111 Ų111137.9 Ų137.972%0.72179%0.791SS**  cis-134.8-177-44.738.5-22.8000112.9
567T36.2Very low33.5Very low136 Ų136136.5 Ų136.583%0.83479%0.792SS**  trans156.2147.714536.60000111.2
568S38.1Very low33.9Very low91 Ų91132.2 Ų132.264%0.63678%0.784SS**  cis-171.7121.8-24.649.50000112
569D34.1Very low34.2Very low154 Ų154137.5 Ų137.582%0.82479%0.785SS**  trans55.9166.2131.7-723.7000122.9
570P42.7Very low34.4Very low104 Ų104139.1 Ų139.168%0.67579%0.785SS**  -143.7178.9-63.141.6-23.4000114
571A36.6Very low34.6Very low103 Ų103135.3 Ų135.385%0.85178%0.777SS**  trans-163.2137.6147.200000111
572Y34.9Very low34.9Very low196 Ų196135.9 Ų135.977%0.76978%0.781SS**  trans-104.2147-169.6-91-103000114.8E574Y572-E574 HydrophobicContact CD1-CG 4.29Å
573A36.9Very low35.1Very low103 Ų103136.2 Ų136.285%0.85177%0.77SS**  -158.6128.8129.500000109.3
574E31.3Very low35.8Very low170 Ų170131.2 Ų131.279%0.79475%0.746SS**  trans-109.1153.5174.8-63.4-179.9153.100110Y572Y572-E574 HydrophobicContact CD1-CG 4.29Å
575D35.4Very low36.4Very low165 Ų165133.5 Ų133.588%0.88274%0.741SS**  trans-151.7157.3158.3-153.5-9.9000110.7
576E32.9Very low37.2Very low173 Ų173134.8 Ų134.881%0.80873%0.733SS**PPolyproline II helixtrans-84.7155.8-157.2-69.9-160.8125.800117
577A29.1Very low37.4Very low88 Ų88132.8 Ų132.873%0.72772%0.716SS**PPolyproline II helixtrans-78.3134.9168.700000112R579A577-R579 PolarHBondContact O-N 3.16Å
578P34.7Very low38.2Very low101 Ų101129.6 Ų129.666%0.65670%0.696SS**PPolyproline II helixtrans-73.3116.8-176.628.9-34.4000112.1
579R31.8Very low39.3Very low233 Ų233131 Ų13188%0.87969%0.693SS**PPolyproline II helixtrans-67.8132.6164.6-62.3-179.2-175.1176.53.6109.4A577A577-R579 PolarHBondContact O-N 3.16Å
580Y33.4Very low40.4Very low211 Ų211129.4 Ų129.483%0.82768%0.681SS**PPolyproline II helixtrans-67.5140.1174.1-70.5-85.3000111V582Y580-V582 PolarHBondContact O-N 3.36Å
581P34.6Very low41.1Very low119 Ų119131.5 Ų131.577%0.77368%0.676SS**PPolyproline II helixtrans-71.6130.5-179.628.9-33.9000111L583P581-L583 PolarHBondContact O-N 3.27Å
582V35.4Very low42.2Very low143 Ų143131.9 Ų131.987%0.86766%0.66SS**PPolyproline II helixtrans-71.4120.9163.3179.80000107Y580Y580-V582 PolarHBondContact O-N 3.36Å
583L38.5Very low43.6Very low93 Ų93125.5 Ų125.549%0.48764%0.644SS.*PPolyproline II helixtrans-56.1139.8175.7-74.5165.3000110.2P581 D587 V588P581-L583 PolarHBondContact O-N 3.27Å; L583-D587 HydrophobicContact CB-CB 4.46Å; L583-D587 HydrophobicContact CD2-CB 4.15Å; L583-V588 HydrophobicContact CB-CG2 4.33Å
584S45.4Very low44.5Very low45 Ų45125.5 Ų125.532%0.31563%0.629SS.*PPolyproline II helixtrans-68.2157.7175.375.20000110.5E586 D587 V588S584-E586 PolarHBondContact O-N 2.95Å; S584-D587 VanDerWaalsContact CB-OD2 3.31Å; S584-D587 WeakPolarHBondContact CB-OD2 3.22Å; S584-D587 PolarHBondContact N-OD2 3.4Å; S584-D587 PolarHBondContact O-N 3.41Å; S584-D587 PolarHBondContact OG-N 3.23Å; S584-D587 PolarHBondContact OG-OD2 3.16Å; S584-V588 PolarHBondContact O-N 2.9Å
585W45.4Very low46Very low179 Ų179123.5 Ų123.568%0.67862%0.618SS**Hα-helixtrans-61.9-32.5174.165.2-83.3000111.2V588 E589W585-V588 PolarHBondContact O-N 3.34Å; W585-E589 WeakPolarHBondContact CZ3-OE2 3.49Å; W585-E589 WeakPolarHBondContact O-CB 3.39Å; W585-E589 PolarHBondContact O-N 2.62Å
586E49.7Very low47.3Very low113 Ų113121.9 Ų121.953%0.52861%0.605SS.*Hα-helixtrans-65.6-39.6175.2-55.9178.4177.200111.8S584 V588 E589 M590S584-E586 PolarHBondContact O-N 2.95Å; E586-V588 VanDerWaalsContact C-N 3.34Å; E586-V588 PolarHBondContact O-N 3.13Å; E586-E589 PolarHBondContact O-N 2.83Å; E586-M590 VanDerWaalsContact O-CB 3.23Å; E586-M590 WeakPolarHBondContact O-CB 3.29Å; E586-M590 PolarHBondContact O-N 3.27Å
587D48.3Very low48.8Very low68 Ų68122 Ų12236%0.36460%0.598SS.*Hα-helixtrans-64.3-38.1174-67.9-62.2000112.3L583 S584 R591L583-D587 HydrophobicContact CB-CB 4.46Å; L583-D587 HydrophobicContact CD2-CB 4.15Å; S584-D587 VanDerWaalsContact CB-OD2 3.31Å; S584-D587 WeakPolarHBondContact CB-OD2 3.22Å; S584-D587 PolarHBondContact N-OD2 3.4Å; S584-D587 PolarHBondContact O-N 3.41Å; S584-D587 PolarHBondContact OG-N 3.23Å; S584-D587 PolarHBondContact OG-OD2 3.16Å; D587-R591 WeakPolarHBondContact O-CB 3.5Å; D587-R591 VanDerWaalsContact O-CG 3.24Å; D587-R591 WeakPolarHBondContact O-CG 3.35Å; D587-R591 PolarHBondContact O-N 3.37Å
588V53.2Low49.8Very low70 Ų70123.3 Ų123.342%0.42459%0.592SS.*Hα-helixtrans-69.3-49.2177.9176.90000109.7L583 S584 W585 E586 M590 R591 E592L583-V588 HydrophobicContact CB-CG2 4.33Å; S584-V588 PolarHBondContact O-N 2.9Å; W585-V588 PolarHBondContact O-N 3.34Å; E586-V588 VanDerWaalsContact C-N 3.34Å; E586-V588 PolarHBondContact O-N 3.13Å; V588-M590 VanDerWaalsContact C-N 3.35Å; V588-M590 PolarHBondContact O-N 3.42Å; V588-R591 PolarHBondContact O-N 3.39Å; V588-R591 VanDerWaalsContact O-N 3.16Å; V588-E592 WeakPolarHBondContact O-CG 3.44Å; V588-E592 PolarHBondContact O-N 2.83Å
589E60.9Low50.8Low121 Ų121121.9 Ų121.957%0.56558%0.584SS**Hα-helixtrans-62.9-38.8178.1-172.7169.9-157.300112W585 E586 E592 S593W585-E589 WeakPolarHBondContact CZ3-OE2 3.49Å; W585-E589 WeakPolarHBondContact O-CB 3.39Å; W585-E589 PolarHBondContact O-N 2.62Å; E586-E589 PolarHBondContact O-N 2.83Å; E589-E592 PolarHBondContact O-N 3.49Å; E589-S593 VanDerWaalsContact O-CB 3.23Å; E589-S593 WeakPolarHBondContact O-CB 3.29Å; E589-S593 PolarHBondContact O-N 2.81Å
590M58Low52.3Low119 Ų119114 Ų11459%0.58656%0.562SS**Hα-helixtrans-65.3-38.9174.2-163.9-169.6-50.900112E586 V588 L594E586-M590 VanDerWaalsContact O-CB 3.23Å; E586-M590 WeakPolarHBondContact O-CB 3.29Å; E586-M590 PolarHBondContact O-N 3.27Å; V588-M590 VanDerWaalsContact C-N 3.35Å; V588-M590 PolarHBondContact O-N 3.42Å; M590-L594 WeakPolarHBondContact O-CB 3.47Å; M590-L594 PolarHBondContact O-N 3.08Å
591R56Low53.4Low148 Ų148107.9 Ų107.956%0.55855%0.546SS*.Hα-helixtrans-68.6-36.8174.7-78.7174.7172.1-162.3-1.8112.7D587 V588 K595D587-R591 WeakPolarHBondContact O-CB 3.5Å; D587-R591 VanDerWaalsContact O-CG 3.24Å; D587-R591 WeakPolarHBondContact O-CG 3.35Å; D587-R591 PolarHBondContact O-N 3.37Å; V588-R591 PolarHBondContact O-N 3.39Å; V588-R591 VanDerWaalsContact O-N 3.16Å; R591-K595 WeakPolarHBondContact O-CG 3.38Å; R591-K595 PolarHBondContact O-N 3.07Å; R591-K595 VanDerWaalsContact O-N 3.08Å
592E59.5Low54.1Low112 Ų112107.1 Ų107.152%0.52354%0.535SS..Hα-helixtrans-70.3-43.3173.2-63.5-143.6133.700111.4V588 E589 L594 K595 Q596V588-E592 WeakPolarHBondContact O-CG 3.44Å; V588-E592 PolarHBondContact O-N 2.83Å; E589-E592 PolarHBondContact O-N 3.49Å; E592-L594 VanDerWaalsContact C-N 3.31Å; E592-L594 PolarHBondContact O-N 2.88Å; E592-K595 CarbonylContact O-C 3.59Å; E592-K595 WeakPolarHBondContact O-CB 3.4Å; E592-K595 PolarHBondContact O-N 3.42Å; E592-K595 VanDerWaalsContact O-N 3.09Å; E592-Q596 WeakPolarHBondContact O-CB 3.41Å; E592-Q596 PolarHBondContact O-N 3.17Å
593S65.4Low54.9Low61 Ų61106.2 Ų106.243%0.42752%0.521SS..Hα-helixtrans-56-42.2172.8-177.60000112.5E589 Q596 R597E589-S593 VanDerWaalsContact O-CB 3.23Å; E589-S593 WeakPolarHBondContact O-CB 3.29Å; E589-S593 PolarHBondContact O-N 2.81Å; S593-Q596 WeakPolarHBondContact O-CB 3.5Å; S593-Q596 PolarHBondContact O-N 3.38Å; S593-R597 WeakPolarHBondContact O-CB 3.5Å; S593-R597 VanDerWaalsContact O-CG 3.29Å; S593-R597 WeakPolarHBondContact O-CG 3.44Å; S593-R597 PolarHBondContact O-N 3.19Å
594L55.1Low55.3Low104 Ų104107.2 Ų107.255%0.54553%0.525SS..Hα-helixtrans-65.1-41.9173.5-87.2162.1000112.9M590 E592 R597 L598M590-L594 WeakPolarHBondContact O-CB 3.47Å; M590-L594 PolarHBondContact O-N 3.08Å; E592-L594 VanDerWaalsContact C-N 3.31Å; E592-L594 PolarHBondContact O-N 2.88Å; L594-R597 PolarHBondContact O-N 3.19Å; L594-L598 WeakPolarHBondContact O-CB 3.3Å; L594-L598 PolarHBondContact O-N 3.2Å
595K63.2Low55.3Low128 Ų128113.9 Ų113.956%0.55754%0.543SS*.Hα-helixtrans-61.2-46.1172.1-72.7171.7-177.71740111.4R591 E592 R597 L598 C599R591-K595 WeakPolarHBondContact O-CG 3.38Å; R591-K595 PolarHBondContact O-N 3.07Å; R591-K595 VanDerWaalsContact O-N 3.08Å; E592-K595 CarbonylContact O-C 3.59Å; E592-K595 WeakPolarHBondContact O-CB 3.4Å; E592-K595 PolarHBondContact O-N 3.42Å; E592-K595 VanDerWaalsContact O-N 3.09Å; K595-R597 PolarHBondContact O-N 2.89Å; K595-L598 PolarHBondContact O-N 3.29Å; K595-C599 WeakPolarHBondContact O-CB 3.31Å; K595-C599 PolarHBondContact O-N 3.25Å; K595-C599 PolarHBondContact O-SG 2.9Å
596Q62.1Low55.2Low131 Ų131107.7 Ų107.761%0.61253%0.527SS*.Hα-helixtrans-56.1-50.5177.6-132.479.3-11.200110.3E592 S593 L598 C599 T600E592-Q596 WeakPolarHBondContact O-CB 3.41Å; E592-Q596 PolarHBondContact O-N 3.17Å; S593-Q596 WeakPolarHBondContact O-CB 3.5Å; S593-Q596 PolarHBondContact O-N 3.38Å; Q596-L598 PolarHBondContact O-N 3.14Å; Q596-C599 PolarHBondContact O-N 2.75Å; Q596-T600 WeakPolarHBondContact O-CB 3.41Å; Q596-T600 PolarHBondContact O-N 3.04Å; Q596-T600 PolarHBondContact O-OG1 3.16Å
597R64.8Low54.7Low175 Ų175105.3 Ų105.366%0.6652%0.523SS*.Hα-helixtrans-64.2-39.3179.5-70.2175.175.8-175.43.9112.1S593 L594 K595 T600 V601S593-R597 WeakPolarHBondContact O-CB 3.5Å; S593-R597 VanDerWaalsContact O-CG 3.29Å; S593-R597 WeakPolarHBondContact O-CG 3.44Å; S593-R597 PolarHBondContact O-N 3.19Å; L594-R597 PolarHBondContact O-N 3.19Å; K595-R597 PolarHBondContact O-N 2.89Å; R597-T600 PolarHBondContact O-N 2.94Å; R597-V601 WeakPolarHBondContact O-CG2 3.4Å; R597-V601 PolarHBondContact O-N 3.02Å
598L50.5Low54.3Low115 Ų115106 Ų10660%0.60253%0.533SS*.Hα-helixtrans-66.9-43.9176.7-164.372.2000111.7L594 K595 Q596 V601 L602L594-L598 WeakPolarHBondContact O-CB 3.3Å; L594-L598 PolarHBondContact O-N 3.2Å; K595-L598 PolarHBondContact O-N 3.29Å; Q596-L598 PolarHBondContact O-N 3.14Å; L598-V601 PolarHBondContact O-N 3.34Å; L598-L602 HydrophobicContact CG-CD1 4.42Å; L598-L602 WeakPolarHBondContact O-CG 3.43Å; L598-L602 PolarHBondContact O-N 3.13Å
599C56.6Low53.6Low71 Ų71110.5 Ų110.548%0.4855%0.549SS..Hα-helixtrans-60.3-44.3172.9-74.10000111.8K595 Q596 V601 L602 Q603K595-C599 WeakPolarHBondContact O-CB 3.31Å; K595-C599 PolarHBondContact O-N 3.25Å; K595-C599 PolarHBondContact O-SG 2.9Å; Q596-C599 PolarHBondContact O-N 2.75Å; C599-V601 PolarHBondContact O-N 3.41Å; C599-L602 PolarHBondContact O-N 3.01Å; C599-Q603 WeakPolarHBondContact O-CB 3.35Å; C599-Q603 WeakPolarHBondContact O-CG 3.34Å; C599-Q603 PolarHBondContact O-N 2.79Å
600T62.2Low52.5Low69 Ų69112.9 Ų112.942%0.42356%0.558SS.*Hα-helixtrans-62.7-41.2176.2-60.90000112.1Q596 R597 Q603 M604Q596-T600 WeakPolarHBondContact O-CB 3.41Å; Q596-T600 PolarHBondContact O-N 3.04Å; Q596-T600 PolarHBondContact O-OG1 3.16Å; R597-T600 PolarHBondContact O-N 2.94Å; T600-Q603 PolarHBondContact O-N 3.26Å; T600-M604 HydrophobicContact CG2-CE 4.28Å; T600-M604 HydrophobicContact CG2-CG 4.48Å; T600-M604 HydrophobicContact CG2-SD 4.48Å; T600-M604 WeakPolarHBondContact O-CB 3.26Å; T600-M604 VanDerWaalsContact O-CG 3.32Å; T600-M604 WeakPolarHBondContact O-CG 3.36Å; T600-M604 PolarHBondContact O-N 3.06Å
601V55.7Low51.4Low82 Ų82115.6 Ų115.650%0.49757%0.569SS.*Hα-helixtrans-63.6-42.5175.2167.70000111.5R597 L598 C599 M604 R605R597-V601 WeakPolarHBondContact O-CG2 3.4Å; R597-V601 PolarHBondContact O-N 3.02Å; L598-V601 PolarHBondContact O-N 3.34Å; C599-V601 PolarHBondContact O-N 3.41Å; V601-M604 HydrophobicContact CG2-CE 4.26Å; V601-R605 PolarHBondContact O-N 2.97Å; V601-R605 VanDerWaalsContact O-N 3.07Å
602L50.3Low50.3Low102 Ų102115.8 Ų115.853%0.53458%0.58SS.*Hα-helixtrans-67.4-39.1176.1-69169.9000112.2L598 C599 R605 S606L598-L602 HydrophobicContact CG-CD1 4.42Å; L598-L602 WeakPolarHBondContact O-CG 3.43Å; L598-L602 PolarHBondContact O-N 3.13Å; C599-L602 PolarHBondContact O-N 3.01Å; L602-R605 WeakPolarHBondContact O-CB 3.33Å; L602-R605 PolarHBondContact O-N 3.4Å; L602-S606 PolarHBondContact O-N 2.95Å
603Q52Low48.9Very low125 Ų125118.4 Ų118.458%0.58460%0.597SS**Hα-helixtrans-67.2-42.7175.6-77-177.2-78.500111.8C599 T600 R605 S606 S607C599-Q603 WeakPolarHBondContact O-CB 3.35Å; C599-Q603 WeakPolarHBondContact O-CG 3.34Å; C599-Q603 PolarHBondContact O-N 2.79Å; T600-Q603 PolarHBondContact O-N 3.26Å; Q603-R605 VanDerWaalsContact C-N 3.29Å; Q603-R605 PolarHBondContact O-N 2.6Å; Q603-S606 WeakPolarHBondContact CA-OG 3.47Å; Q603-S606 CarbonylContact O-C 3.5Å; Q603-S606 PolarHBondContact O-N 3.49Å; Q603-S606 VanDerWaalsContact O-N 3.07Å; Q603-S606 PolarHBondContact O-OG 3.49Å; Q603-S607 PolarHBondContact O-N 3.49Å; Q603-S607 PolarHBondContact O-OG 2.91Å
604M47.5Very low47.4Very low114 Ų114121.6 Ų121.656%0.56262%0.616SS**Hα-helixtrans-57.6-42.7172.9-74.1-171-57.100111.2T600 V601 S606 S607 S608T600-M604 HydrophobicContact CG2-CE 4.28Å; T600-M604 HydrophobicContact CG2-CG 4.48Å; T600-M604 HydrophobicContact CG2-SD 4.48Å; T600-M604 WeakPolarHBondContact O-CB 3.26Å; T600-M604 VanDerWaalsContact O-CG 3.32Å; T600-M604 WeakPolarHBondContact O-CG 3.36Å; T600-M604 PolarHBondContact O-N 3.06Å; V601-M604 HydrophobicContact CG2-CE 4.26Å; M604-S606 VanDerWaalsContact C-N 3.34Å; M604-S606 PolarHBondContact O-N 3.09Å; M604-S607 PolarHBondContact O-N 2.96Å; M604-S607 VanDerWaalsContact O-N 3.17Å; M604-S608 PolarHBondContact O-N 2.84Å; M604-S608 PolarHBondContact O-OG 3.38Å; M604-S608 VanDerWaalsContact O-OG 3.12Å
605R45.1Very low46.2Very low184 Ų184121.1 Ų121.169%0.69463%0.628SS**Hα-helixtrans-59.3-41.5173.4-126.8179.1-175.1-175.10.3112.6V601 L602 Q603 S607 S608V601-R605 PolarHBondContact O-N 2.97Å; V601-R605 VanDerWaalsContact O-N 3.07Å; L602-R605 WeakPolarHBondContact O-CB 3.33Å; L602-R605 PolarHBondContact O-N 3.4Å; Q603-R605 VanDerWaalsContact C-N 3.29Å; Q603-R605 PolarHBondContact O-N 2.6Å; R605-S607 VanDerWaalsContact C-N 3.33Å; R605-S607 PolarHBondContact O-N 3.43Å; R605-S608 WeakPolarHBondContact CA-OG 3.38Å; R605-S608 PolarHBondContact O-OG 3.15Å
606S42.6Very low44.8Very low50 Ų50122 Ų12235%0.3564%0.643SS.*Hα-helixtrans-76-15.4177.576.50000115L602 Q603 M604L602-S606 PolarHBondContact O-N 2.95Å; Q603-S606 WeakPolarHBondContact CA-OG 3.47Å; Q603-S606 CarbonylContact O-C 3.5Å; Q603-S606 PolarHBondContact O-N 3.49Å; Q603-S606 VanDerWaalsContact O-N 3.07Å; Q603-S606 PolarHBondContact O-OG 3.49Å; M604-S606 VanDerWaalsContact C-N 3.34Å; M604-S606 PolarHBondContact O-N 3.09Å
607S40.2Very low43.4Very low63 Ų63122 Ų12244%0.44165%0.648SS.*Hα-helixtrans-89.5-37.4175.1-66.70000111.6Q603 M604 R605 E609 K610 E611Q603-S607 PolarHBondContact O-N 3.49Å; Q603-S607 PolarHBondContact O-OG 2.91Å; M604-S607 PolarHBondContact O-N 2.96Å; M604-S607 VanDerWaalsContact O-N 3.17Å; R605-S607 VanDerWaalsContact C-N 3.33Å; R605-S607 PolarHBondContact O-N 3.43Å; S607-E609 PolarHBondContact O-N 3.33Å; S607-K610 PolarHBondContact O-N 2.74Å; S607-E611 PolarHBondContact O-N 3.24Å
608S39.5Very low41.8Very low81 Ų81122.8 Ų122.857%0.56666%0.656SS**Hα-helixtrans-60.4-24172.145.60000113.2M604 R605 K610M604-S608 PolarHBondContact O-N 2.84Å; M604-S608 PolarHBondContact O-OG 3.38Å; M604-S608 VanDerWaalsContact O-OG 3.12Å; R605-S608 WeakPolarHBondContact CA-OG 3.38Å; R605-S608 PolarHBondContact O-OG 3.15Å; S608-K610 VanDerWaalsContact C-N 3.31Å
609E38.9Very low40.9Very low165 Ų165121.3 Ų121.377%0.77166%0.661SS**THydrogen-bonded Turntrans-83.63.3173.3-67179.2147.400113.9S607S607-E609 PolarHBondContact O-N 3.33Å
610K38.2Very low39.6Very low172 Ų172126 Ų12675%0.74868%0.675SS**THydrogen-bonded Turntrans-127-9.5-173.2-74.6-178.1178.5171.40116.5S607 S608 L612S607-K610 PolarHBondContact O-N 2.74Å; S608-K610 VanDerWaalsContact C-N 3.31Å; K610-L612 PolarHBondContact O-N 3.1Å
611E32.9Very low38.3Very low176 Ų176129.5 Ų129.582%0.82269%0.692SS**SBendtrans-99.247.4177.5-67-165.8116.200113.3S607S607-E611 PolarHBondContact O-N 3.24Å
612L33.3Very low37.1Very low151 Ų151129.3 Ų129.379%0.79171%0.706SS**  trans-144.641.1-177-113.6163000115K610K610-L612 PolarHBondContact O-N 3.1Å
613L31.3Very low36.5Very low168 Ų168130.7 Ų130.788%0.8872%0.721SS**  trans-132.6114.6168.2-72.5176.3000111.2
614P33.3Very low35.6Very low127 Ų127129.7 Ų129.783%0.82573%0.728SS**  trans-77.8134.6179.430.9-33.8000111.9
615A30.3Very low34.8Very low95 Ų95130.3 Ų130.379%0.78574%0.738SS**  trans-85.3125.3179.400000112.4
616V33.7Very low34.3Very low146 Ų146125.9 Ų125.989%0.88574%0.735SS**  trans-127.3136.5160.5-177.80000108.7
617N32.4Very low33.8Very low132 Ų132130.7 Ų130.771%0.70676%0.757SS**  trans-108.5144.3-168.6-108.4-70000112.5
618K31.9Very low33.6Very low190 Ų190132.6 Ų132.683%0.82677%0.766SS**  trans74.2142.3150-68.4177.4176.1-178.80121.6
619A30.7Very low33.4Very low85 Ų85135.3 Ų135.370%0.70277%0.77SS**  trans86.896.8139.700000120.3
620E30.5Very low33Very low168 Ų168136.9 Ų136.979%0.78577%0.768SS**  67.7132.4115.4-73.4-177.5-15100123
621N33.5Very low32.9Very low144 Ų144135.4 Ų135.477%0.7776%0.762SS**  trans71.7120.6146.4-59.4-31.7000121.3
622G31.3Very low32.9Very low77 Ų77133.5 Ų133.579%0.79475%0.753SS**  trans102.5111.2137.100000117.8
623P37.3Very low33Very low132 Ų132132.7 Ų132.786%0.85775%0.749SS**  trans-101.7136.2174.335.8-29.9000113.6
624S32.3Very low33.1Very low104 Ų104130 Ų13073%0.72774%0.735SS**  trans-161.3113.5157.960.60000114.7
625T32Very low33.4Very low127 Ų127130.9 Ų130.978%0.77973%0.728SS**  trans55.1128135.660.60000123.3
626S33.3Very low33.6Very low90 Ų90133.8 Ų133.863%0.62972%0.723SS**  74.4123.4127.5690000122.3
627D33.5Very low33.5Very low152 Ų152134.5 Ų134.581%0.81372%0.717SS**  68.6148.9123.4-62.2-17.8000120.1
628V35.1Very low33.5Very low102 Ų102132.5 Ų132.562%0.61872%0.719SS**  cis-162137.8-4.91120000111.6
629Q34.7Very low33.4Very low139 Ų139129.7 Ų129.765%0.6572%0.718SS**  trans60.9179.3158.6-59.8170.918.900115.8
630R31.7Very low33.4Very low197 Ų197130.7 Ų130.774%0.74372%0.72SS**  cis-157.5133.611.6-145.2155.8-1511809.1112.5
631K34.9Very low33.4Very low142 Ų142130.1 Ų130.162%0.61772%0.722SS**  trans47.5133.2133.4-67.7-174.2116.5-1370123.2
632E34.2Very low33.3Very low136 Ų136132.2 Ų132.264%0.63673%0.727SS**  73.3150.9129.4-64.9169.7159.800118.7
633L34.9Very low33.5Very low134 Ų134133.9 Ų133.970%0.70272%0.724SS**  cis-164179.1-11.4-101.7167.2000106.5
634D34Very low33.4Very low111 Ų111132.7 Ų132.759%0.59472%0.716SS**  cis-162.517710-138.9-39.3000113.4
635H38.3Very low33.2Very low145 Ų145134.2 Ų134.267%0.67172%0.715SS**  trans76.6125.8142.2-81.823.5000125.6
636F34.4Very low33Very low157 Ų157136.5 Ų136.569%0.68971%0.714SS**  trans79.6100.6134.7-89.6-99.3000125.4
637E32Very low33Very low161 Ų161138.3 Ų138.375%0.75272%0.717SS**  49.6122.7127.9-63.8-167.5143.800124.7
638A32.5Very low33.1Very low89 Ų89136 Ų13674%0.73671%0.712SS**  trans59.8126.8131.300000119.5
639T29.7Very low33.4Very low132 Ų132138.7 Ų138.781%0.8172%0.718SS**  cis-165.5159.846.944.10000113.7
640S30.5Very low33.8Very low106 Ų106141.4 Ų141.474%0.74172%0.724SS**  trans70.386.9148.9-167.70000121
641D32.1Very low34Very low156 Ų156139.5 Ų139.583%0.83472%0.723SS**  trans34.3103.5133.6-54.9-27.1000121.9
642Q31.2Very low33.9Very low188 Ų188140 Ų14088%0.87973%0.733SS**  trans165.8161.2137.4-98.2-168.69.300111
643P34.1Very low34.1Very low112 Ų112139.1 Ų139.173%0.72774%0.736SS**  cis-124.9-116.1-25.430.4-5.9000112.7
644P35.8Very low33.9Very low106 Ų106138.6 Ų138.669%0.68874%0.739SS**  trans-133.3-159.5-138.837-11.3000116.9
645I28.1Very low34Very low136 Ų136142 Ų14270%0.69775%0.751SS**  trans107.8109.4150-75.5159.6000120.3
646F28.6Very low33.8Very low176 Ų176138.7 Ų138.777%0.77275%0.749SS**  trans65.4144.2143.8-75.5-130.1000119.9
647N31.8Very low34.2Very low127 Ų127137 Ų13768%0.67975%0.754SS**  cis-156.1160.5-12.3-127.630.9000111.5
648S36.2Very low35Very low103 Ų103132.1 Ų132.172%0.7274%0.735SS**  trans-154.2141179.858.40000112.4
649E41Very low36.1Very low159 Ų159131.7 Ų131.774%0.74372%0.72SS**  trans-148.6150.1172.6-70.8-170.1168.300109.2
650Y43.3Very low37.5Very low197 Ų197134.6 Ų134.677%0.77372%0.716SS**  cis-167154.1-12.2-118.2-164.6000106.5
651E36.5Very low38.9Very low156 Ų156136.8 Ų136.873%0.72972%0.72SS**  cis-132.3166.3-2.5-61175.758.700108.7
652D33.8Very low40.7Very low153 Ų153131.6 Ų131.682%0.81869%0.692SS**  trans-134.3121.4158-147.4-11.9000108.1V654D652-V654 PolarHBondContact O-N 3.44Å
653V37.7Very low42.3Very low117 Ų117127 Ų12771%0.70967%0.673SS**  trans-86.783.7-166.7-175.40000110.6E655V653-E655 PolarHBondContact O-N 3.46Å; V653-E655 VanDerWaalsContact O-N 3.17Å
654V31.6Very low43.9Very low124 Ų124126.8 Ų126.875%0.75267%0.666SS**  trans-72.9102.7171.2-177.70000109.4D652 A656D652-V654 PolarHBondContact O-N 3.44Å; V654-A656 PolarHBondContact O-N 3.04Å
655E35.3Very low45.5Very low181 Ų181124.6 Ų124.685%0.84665%0.647SS**  trans-62.4102.2166.3-72.3-167.2135.900109.4V653V653-E655 PolarHBondContact O-N 3.46Å; V653-E655 VanDerWaalsContact O-N 3.17Å
656A34Very low47.5Very low76 Ų76124.6 Ų124.663%0.62864%0.638SS**  trans-57.5136.5175.700000110.3V654 V658V654-A656 PolarHBondContact O-N 3.04Å; A656-V658 PolarHBondContact O-N 2.84Å
657P41.9Very low49.5Very low123 Ų123122.4 Ų122.480%0.79963%0.625SS**  trans-56115.3-179.5-26.835000111.4D659P657-D659 PolarHBondContact O-N 2.97Å; P657-D659 VanDerWaalsContact O-N 3.07Å
658V49.7Very low51.3Low57 Ų57118.4 Ų118.435%0.34561%0.609SS.*  trans-68.2107.8172.1173.40000108.3A656 W660 R669A656-V658 PolarHBondContact O-N 2.84Å; V658-W660 HydrophobicContact CG1-CD2 3.9Å; V658-W660 HydrophobicContact CG1-CG 4.18Å; V658-W660 HydrophobicContact CG1-CZ2 3.87Å; V658-W660 PolarHBondContact O-NE1 3.42Å; V658-R669 VanDerWaalsContact CG2-NH2 3.35Å
659D55.5Low52.8Low81 Ų81118.3 Ų118.343%0.43359%0.593SS.*  trans-73.6124.1162.3-162.2-24.9000108.1P657 D661 D662P657-D659 PolarHBondContact O-N 2.97Å; P657-D659 VanDerWaalsContact O-N 3.07Å; D659-D661 PolarHBondContact OD1-N 2.6Å; D659-D662 HydrophobicContact CB-CB 4Å; D659-D662 PolarHBondContact OD1-N 2.78Å
660W58.5Low54.3Low192 Ų192115.8 Ų115.873%0.72758%0.581SS**SBendtrans-92.7-13.2179.8-66.788.9000112.2V658V658-W660 HydrophobicContact CG1-CD2 3.9Å; V658-W660 HydrophobicContact CG1-CG 4.18Å; V658-W660 HydrophobicContact CG1-CZ2 3.87Å; V658-W660 PolarHBondContact O-NE1 3.42Å
661D59.6Low55.5Low153 Ų153112.8 Ų112.882%0.81857%0.574SS**SBendtrans-102.7-6.1178.7-66.1-38.2000112.5D659 D663D659-D661 PolarHBondContact OD1-N 2.6Å; D661-D663 PolarHBondContact O-N 2.96Å
662D69.8Low56.9Low46 Ų46110.1 Ų110.125%0.24656%0.564CS.*  trans-71.4107.9170.8173.723.8000112D659 N664 Q665 R666D659-D662 HydrophobicContact CB-CB 4Å; D659-D662 PolarHBondContact OD1-N 2.78Å; D662-N664 PolarHBondContact O-N 3.42Å; D662-N664 VanDerWaalsContact O-N 3.11Å; D662-N664 WeakPolarHBondContact OD1-CB 3.19Å; D662-N664 PolarHBondContact OD1-N 3.49Å; D662-N664 PolarHBondContact OD1-ND2 2.93Å; D662-N664 VanDerWaalsContact OD1-ND2 3.13Å; D662-Q665 HydrophobicContact CB-CB 4.16Å; D662-Q665 PolarHBondContact O-N 2.98Å; D662-Q665 VanDerWaalsContact O-N 3.17Å; D662-Q665 WeakPolarHBondContact OD2-CB 3.41Å; D662-Q665 VanDerWaalsContact OD2-CG 3.3Å; D662-Q665 WeakPolarHBondContact OD2-CG 3.37Å; D662-Q665 PolarHBondContact OD2-N 3.18Å; D662-Q665 PolarHBondContact OD2-NE2 2.74Å; D662-R666 WeakPolarHBondContact O-CB 3.19Å; D662-R666 PolarHBondContact O-N 3.38Å
663D66.5Low58.2Low91 Ų91104.5 Ų104.549%0.48754%0.542SS..Hα-helixtrans-56.5-22178-138.635.5000114.3D661 R667D661-D663 PolarHBondContact O-N 2.96Å; D663-R667 WeakPolarHBondContact O-CB 3.32Å; D663-R667 PolarHBondContact O-N 2.82Å; D663-R667 PolarHBondContact O-NE 3.38Å; D663-R667 IonicContact OD2-CZ 3.79Å; D663-R667 IonicContact OD2-NH2 2.76Å; D663-R667 PolarHBondContact OD2-NH2 2.91Å
664N66.9Low59.7Low108 Ų108101.5 Ų101.558%0.57853%0.526SS*.Hα-helixtrans-84.7-47.3174.7-57.8-70000111.8D662 R666 R667 A668D662-N664 PolarHBondContact O-N 3.42Å; D662-N664 VanDerWaalsContact O-N 3.11Å; D662-N664 WeakPolarHBondContact OD1-CB 3.19Å; D662-N664 PolarHBondContact OD1-N 3.49Å; D662-N664 PolarHBondContact OD1-ND2 2.93Å; D662-N664 VanDerWaalsContact OD1-ND2 3.13Å; N664-R666 PolarHBondContact O-N 2.93Å; N664-R667 PolarHBondContact O-N 3.4Å; N664-A668 WeakPolarHBondContact O-CB 3.39Å; N664-A668 PolarHBondContact O-N 3.24Å
665Q68.3Low60.9Low61 Ų61101 Ų10129%0.28552%0.518SS..Hα-helixtrans-59.1-35.7170-85.2-177.368.600112.2D662 A668 R669D662-Q665 HydrophobicContact CB-CB 4.16Å; D662-Q665 PolarHBondContact O-N 2.98Å; D662-Q665 VanDerWaalsContact O-N 3.17Å; D662-Q665 WeakPolarHBondContact OD2-CB 3.41Å; D662-Q665 VanDerWaalsContact OD2-CG 3.3Å; D662-Q665 WeakPolarHBondContact OD2-CG 3.37Å; D662-Q665 PolarHBondContact OD2-N 3.18Å; D662-Q665 PolarHBondContact OD2-NE2 2.74Å; Q665-A668 PolarHBondContact O-N 2.7Å; Q665-R669 WeakPolarHBondContact O-CB 3.39Å; Q665-R669 WeakPolarHBondContact O-CG 2.99Å; Q665-R669 PolarHBondContact O-N 3.47Å
666R71.4Confident61.9Low136 Ų13697.5 Ų97.551%0.51351%0.505SS..Hα-helixtrans-61.2-51.2173.6-161.1179.7-150.4-760.5111.3D662 N664 A668 R669 E670D662-R666 WeakPolarHBondContact O-CB 3.19Å; D662-R666 PolarHBondContact O-N 3.38Å; N664-R666 PolarHBondContact O-N 2.93Å; R666-A668 PolarHBondContact O-N 2.81Å; R666-R669 PolarHBondContact O-N 3.3Å; R666-E670 IonicContact CZ-OE1 3.7Å; R666-E670 IonicContact NH1-OE1 2.67Å; R666-E670 PolarHBondContact NH1-OE1 3.4Å; R666-E670 WeakPolarHBondContact O-CG 3.3Å; R666-E670 PolarHBondContact O-N 2.97Å
667R71Confident63.2Low130 Ų130100.4 Ų100.449%0.49150%0.504SS..Hα-helixtrans-64.1-37175.9-85.1176.7-90.4179.7-14.9113.3D663 N664 E670 Q671D663-R667 WeakPolarHBondContact O-CB 3.32Å; D663-R667 PolarHBondContact O-N 2.82Å; D663-R667 PolarHBondContact O-NE 3.38Å; D663-R667 IonicContact OD2-CZ 3.79Å; D663-R667 IonicContact OD2-NH2 2.76Å; D663-R667 PolarHBondContact OD2-NH2 2.91Å; N664-R667 PolarHBondContact O-N 3.4Å; R667-E670 PolarHBondContact O-N 3.46Å; R667-Q671 WeakPolarHBondContact O-CB 3.46Å; R667-Q671 WeakPolarHBondContact O-CG 3.39Å; R667-Q671 PolarHBondContact O-N 3.49Å
668A67.9Low63.8Low42 Ų4299.8 Ų99.835%0.34749%0.49SS..Hα-helixtrans-64.2-42.1174.300000111.6N664 Q665 R666 Q671 I672N664-A668 WeakPolarHBondContact O-CB 3.39Å; N664-A668 PolarHBondContact O-N 3.24Å; Q665-A668 PolarHBondContact O-N 2.7Å; R666-A668 PolarHBondContact O-N 2.81Å; A668-Q671 PolarHBondContact O-N 3.13Å; A668-I672 WeakPolarHBondContact O-CB 3.47Å; A668-I672 VanDerWaalsContact O-CG1 3.27Å; A668-I672 WeakPolarHBondContact O-CG1 3.48Å; A668-I672 PolarHBondContact O-N 2.9Å
669R69.1Low63.8Low102 Ų102103.3 Ų103.339%0.38550%0.502SS..Hα-helixtrans-65.5-38.9173-76-177177.195.113112.7V658 Q665 R666 I672 G673V658-R669 VanDerWaalsContact CG2-NH2 3.35Å; Q665-R669 WeakPolarHBondContact O-CB 3.39Å; Q665-R669 WeakPolarHBondContact O-CG 2.99Å; Q665-R669 PolarHBondContact O-N 3.47Å; R666-R669 PolarHBondContact O-N 3.3Å; R669-I672 PolarHBondContact O-N 2.96Å; R669-G673 PolarHBondContact O-N 3.36Å
670E72Confident63.5Low105 Ų105103.7 Ų103.749%0.49151%0.505SS..Hα-helixtrans-68.3-36.5175.7-73.7171.8177.100111.8R666 R667 G673 S674R666-E670 IonicContact CZ-OE1 3.7Å; R666-E670 IonicContact NH1-OE1 2.67Å; R666-E670 PolarHBondContact NH1-OE1 3.4Å; R666-E670 WeakPolarHBondContact O-CG 3.3Å; R666-E670 PolarHBondContact O-N 2.97Å; R667-E670 PolarHBondContact O-N 3.46Å; E670-G673 PolarHBondContact O-N 3.36Å; E670-S674 WeakPolarHBondContact O-CB 3.2Å; E670-S674 PolarHBondContact O-N 2.92Å
671Q67.4Low63.1Low134 Ų134100.1 Ų100.163%0.62650%0.496SS*.Hα-helixtrans-66.7-45.6170.8-77.7-177.2-39.600112.3R667 A668 G673 S674 L675R667-Q671 WeakPolarHBondContact O-CB 3.46Å; R667-Q671 WeakPolarHBondContact O-CG 3.39Å; R667-Q671 PolarHBondContact O-N 3.49Å; A668-Q671 PolarHBondContact O-N 3.13Å; Q671-G673 VanDerWaalsContact C-N 3.3Å; Q671-G673 PolarHBondContact O-N 3.05Å; Q671-S674 PolarHBondContact O-N 3.06Å; Q671-L675 WeakPolarHBondContact O-CB 3.44Å; Q671-L675 VanDerWaalsContact O-CG 3.3Å; Q671-L675 WeakPolarHBondContact O-CG 3.34Å; Q671-L675 PolarHBondContact O-N 2.99Å
672I67.1Low62.5Low101 Ų10195.1 Ų95.152%0.51848%0.476SS..Hα-helixtrans-61.8-40.5174.8-69.3163.7000110.4A668 R669 L675 L676A668-I672 WeakPolarHBondContact O-CB 3.47Å; A668-I672 VanDerWaalsContact O-CG1 3.27Å; A668-I672 WeakPolarHBondContact O-CG1 3.48Å; A668-I672 PolarHBondContact O-N 2.9Å; R669-I672 PolarHBondContact O-N 2.96Å; I672-L675 PolarHBondContact O-N 2.94Å; I672-L676 HydrophobicContact CG2-CD1 3.88Å; I672-L676 HydrophobicContact CG2-CG 4.44Å; I672-L676 VanDerWaalsContact O-CB 3.31Å; I672-L676 WeakPolarHBondContact O-CB 3.22Å; I672-L676 VanDerWaalsContact O-CG 3.27Å; I672-L676 WeakPolarHBondContact O-CG 3.41Å; I672-L676 PolarHBondContact O-N 3Å
673G61.7Low61.3Low34 Ų3496.4 Ų96.435%0.35149%0.486SS..Hα-helixtrans-67.7-31.7174.500000114R669 E670 Q671 K677R669-G673 PolarHBondContact O-N 3.36Å; E670-G673 PolarHBondContact O-N 3.36Å; Q671-G673 VanDerWaalsContact C-N 3.3Å; Q671-G673 PolarHBondContact O-N 3.05Å; G673-K677 WeakPolarHBondContact O-CB 3.35Å; G673-K677 WeakPolarHBondContact O-CG 3.09Å; G673-K677 PolarHBondContact O-N 3.35Å
674S67.5Low60Low55 Ų5598.4 Ų98.439%0.38549%0.492SS..Hα-helixtrans-72-46.5172.2-157.60000110.8E670 Q671 L676 K677 E678E670-S674 WeakPolarHBondContact O-CB 3.2Å; E670-S674 PolarHBondContact O-N 2.92Å; Q671-S674 PolarHBondContact O-N 3.06Å; S674-L676 PolarHBondContact O-N 2.67Å; S674-K677 CarbonylContact O-C 3.5Å; S674-K677 PolarHBondContact O-N 3.1Å; S674-K677 VanDerWaalsContact O-N 3.13Å; S674-E678 WeakPolarHBondContact O-CB 3.46Å; S674-E678 WeakPolarHBondContact O-CG 3.45Å; S674-E678 PolarHBondContact O-N 3.07Å; S674-E678 PolarHBondContact OG-OE1 2.93Å
675L57.9Low58.9Low112 Ų11296.9 Ų96.959%0.58649%0.489SS*.Hα-helixtrans-64.3-37.5177.7-71.3168.8000112.1Q671 I672 E678 H679Q671-L675 WeakPolarHBondContact O-CB 3.44Å; Q671-L675 VanDerWaalsContact O-CG 3.3Å; Q671-L675 WeakPolarHBondContact O-CG 3.34Å; Q671-L675 PolarHBondContact O-N 2.99Å; I672-L675 PolarHBondContact O-N 2.94Å; L675-E678 PolarHBondContact O-N 3.02Å; L675-H679 VanDerWaalsContact O-CB 3.29Å; L675-H679 WeakPolarHBondContact O-CB 3.43Å; L675-H679 PolarHBondContact O-N 3.06Å
676L55.1Low57.6Low108 Ų10898.7 Ų98.757%0.56551%0.509SS*.Hα-helixtrans-68.6-38.4171.7-74.2169.6000111.7I672 S674 H679 D680I672-L676 HydrophobicContact CG2-CD1 3.88Å; I672-L676 HydrophobicContact CG2-CG 4.44Å; I672-L676 VanDerWaalsContact O-CB 3.31Å; I672-L676 WeakPolarHBondContact O-CB 3.22Å; I672-L676 VanDerWaalsContact O-CG 3.27Å; I672-L676 WeakPolarHBondContact O-CG 3.41Å; I672-L676 PolarHBondContact O-N 3Å; S674-L676 PolarHBondContact O-N 2.67Å; L676-H679 PolarHBondContact O-N 2.98Å; L676-D680 WeakPolarHBondContact O-CB 3.38Å; L676-D680 PolarHBondContact O-N 3.43Å
677K61.6Low55.7Low138 Ų13896.3 Ų96.360%0.651%0.51SS*.Hα-helixtrans-67.6-35.5172.2-86.9-177.1173.2179.80113.4G673 S674 Q681G673-K677 WeakPolarHBondContact O-CB 3.35Å; G673-K677 WeakPolarHBondContact O-CG 3.09Å; G673-K677 PolarHBondContact O-N 3.35Å; S674-K677 CarbonylContact O-C 3.5Å; S674-K677 PolarHBondContact O-N 3.1Å; S674-K677 VanDerWaalsContact O-N 3.13Å; K677-Q681 WeakPolarHBondContact O-CB 3.47Å; K677-Q681 WeakPolarHBondContact O-CG 3.44Å; K677-Q681 PolarHBondContact O-N 3.25Å
678E55.1Low53.9Low109 Ų10994.6 Ų94.651%0.50952%0.517SS..Hα-helixtrans-71.4-36.1174.7-76.7165.3-155.700110.4S674 L675 A682S674-E678 WeakPolarHBondContact O-CB 3.46Å; S674-E678 WeakPolarHBondContact O-CG 3.45Å; S674-E678 PolarHBondContact O-N 3.07Å; S674-E678 PolarHBondContact OG-OE1 2.93Å; L675-E678 PolarHBondContact O-N 3.02Å; E678-A682 WeakPolarHBondContact O-CB 3.33Å; E678-A682 PolarHBondContact O-N 3.01Å
679H49.8Very low52.2Low131 Ų13197.9 Ų97.961%0.60653%0.533SS*.Hα-helixtrans-68-45.4171.9-160.1-60.7000111.4L675 L676 A682 T683L675-H679 VanDerWaalsContact O-CB 3.29Å; L675-H679 WeakPolarHBondContact O-CB 3.43Å; L675-H679 PolarHBondContact O-N 3.06Å; L676-H679 PolarHBondContact O-N 2.98Å; H679-A682 PolarHBondContact O-N 3.5Å; H679-T683 PolarHBondContact ND1-OG1 3Å; H679-T683 VanDerWaalsContact O-CB 3.23Å; H679-T683 WeakPolarHBondContact O-CB 3.02Å; H679-T683 PolarHBondContact O-N 3.43Å; H679-T683 PolarHBondContact O-OG1 3.34Å
680D48.9Very low50.6Low90 Ų90100.5 Ų100.548%0.48155%0.554SS.*Hα-helixtrans-61.3-45.5173.9-84.9-19.9000111.2L676 T683 Q684L676-D680 WeakPolarHBondContact O-CB 3.38Å; L676-D680 PolarHBondContact O-N 3.43Å; D680-T683 CarbonylContact O-C 3.59Å; D680-T683 PolarHBondContact O-N 3.48Å; D680-Q684 VanDerWaalsContact O-CB 3.28Å; D680-Q684 WeakPolarHBondContact O-CB 3.24Å; D680-Q684 WeakPolarHBondContact O-CG 3.2Å; D680-Q684 PolarHBondContact O-N 3.26Å; D680-Q684 PolarHBondContact O-NE2 2.79Å
681Q50.7Low48.7Very low116 Ų116102.6 Ų102.654%0.54257%0.569SS.*Hα-helixtrans-71.4-35179.5-73.417524.200112.4K677 Q684 S685K677-Q681 WeakPolarHBondContact O-CB 3.47Å; K677-Q681 WeakPolarHBondContact O-CG 3.44Å; K677-Q681 PolarHBondContact O-N 3.25Å; Q681-Q684 CarbonylContact O-C 3.53Å; Q681-Q684 PolarHBondContact O-N 2.97Å; Q681-S685 WeakPolarHBondContact O-CB 3.29Å; Q681-S685 PolarHBondContact O-N 3.38Å; Q681-S685 PolarHBondContact O-OG 3.28Å
682A47.4Very low47.2Very low48 Ų48104.7 Ų104.740%0.39758%0.576SS.*Hα-helixtrans-64.2-44169.900000110.7E678 H679 Q684 S685 S686E678-A682 WeakPolarHBondContact O-CB 3.33Å; E678-A682 PolarHBondContact O-N 3.01Å; H679-A682 PolarHBondContact O-N 3.5Å; A682-Q684 PolarHBondContact O-N 3.28Å; A682-S685 PolarHBondContact O-N 3.43Å; A682-S686 VanDerWaalsContact O-CB 3.28Å; A682-S686 WeakPolarHBondContact O-CB 3.4Å; A682-S686 PolarHBondContact O-N 3.03Å; A682-S686 PolarHBondContact O-OG 3.48Å; A682-S686 VanDerWaalsContact O-OG 3.1Å
683T43.7Very low45.6Very low74 Ų74109.1 Ų109.145%0.45460%0.595SS.*Hα-helixtrans-65.6-25.8175.9-51.30000112.1H679 D680 T687H679-T683 PolarHBondContact ND1-OG1 3Å; H679-T683 VanDerWaalsContact O-CB 3.23Å; H679-T683 WeakPolarHBondContact O-CB 3.02Å; H679-T683 PolarHBondContact O-N 3.43Å; H679-T683 PolarHBondContact O-OG1 3.34Å; D680-T683 CarbonylContact O-C 3.59Å; D680-T683 PolarHBondContact O-N 3.48Å; T683-T687 WeakPolarHBondContact O-CG2 3.34Å; T683-T687 PolarHBondContact O-OG1 2.88Å; T683-T687 VanDerWaalsContact O-OG1 3.08Å
684Q40.3Very low44.2Very low133 Ų133113.7 Ų113.762%0.62162%0.616SS**Hα-helixtrans-95.3-14.7177.6-70.4164.433.300114.4D680 Q681 A682 T687D680-Q684 VanDerWaalsContact O-CB 3.28Å; D680-Q684 WeakPolarHBondContact O-CB 3.24Å; D680-Q684 WeakPolarHBondContact O-CG 3.2Å; D680-Q684 PolarHBondContact O-N 3.26Å; D680-Q684 PolarHBondContact O-NE2 2.79Å; Q681-Q684 CarbonylContact O-C 3.53Å; Q681-Q684 PolarHBondContact O-N 2.97Å; A682-Q684 PolarHBondContact O-N 3.28Å; Q684-T687 PolarHBondContact O-OG1 3.48Å
685S42.6Very low42.7Very low75 Ų75115.7 Ų115.752%0.52464%0.636SS.*Hα-helixtrans-109.2-20.5179.560.80000113.7Q681 A682 S688Q681-S685 WeakPolarHBondContact O-CB 3.29Å; Q681-S685 PolarHBondContact O-N 3.38Å; Q681-S685 PolarHBondContact O-OG 3.28Å; A682-S685 PolarHBondContact O-N 3.43Å; S685-S688 PolarHBondContact O-OG 3.07Å
686S40.6Very low41.9Very low99 Ų99117.2 Ų117.269%0.69265%0.649SS**THydrogen-bonded Turntrans-76.9-13.1165.8-59.90000112.6A682A682-S686 VanDerWaalsContact O-CB 3.28Å; A682-S686 WeakPolarHBondContact O-CB 3.4Å; A682-S686 PolarHBondContact O-N 3.03Å; A682-S686 PolarHBondContact O-OG 3.48Å; A682-S686 VanDerWaalsContact O-OG 3.1Å
687T33.3Very low41.7Very low87 Ų87116 Ų11653%0.53465%0.654SS.*THydrogen-bonded Turntrans-95.312.3178.352.60000114T683 Q684T683-T687 WeakPolarHBondContact O-CG2 3.34Å; T683-T687 PolarHBondContact O-OG1 2.88Å; T683-T687 VanDerWaalsContact O-OG1 3.08Å; Q684-T687 PolarHBondContact O-OG1 3.48Å
688S32Very low41.7Very low93 Ų93114.8 Ų114.865%0.6566%0.661SS**SBendtrans-86.5-4.3-175650000115.3S685S685-S688 PolarHBondContact O-OG 3.07Å
689T32.5Very low42.5Very low111 Ų111119.3 Ų119.368%0.68167%0.673SS**SBendtrans-145.6116.3176.8500000110.7
690L34.5Very low44.3Very low158 Ų158114.7 Ų114.783%0.82766%0.655SS**  trans60.3111.9-167.9-78.467000113.5
691D32.3Very low46.3Very low149 Ų149111.5 Ų111.580%0.79764%0.639SS**  -157.9136.1121.4-108.9-29.2000110.5
692K35.8Very low48.3Very low178 Ų178106 Ų10677%0.77461%0.613SS**  trans-94.795.7172.3-76.6-177.6177.2178.20107.8T694K692-T694 PolarHBondContact O-N 2.95Å
693E34.3Very low50.5Low194 Ų194103.7 Ų103.791%0.90759%0.594SS**  trans-52.3107.6178-71.6-169.5117.600111.2A695E693-A695 PolarHBondContact O-N 3.12Å; E693-A695 VanDerWaalsContact O-N 3.17Å
694T31.7Very low52.7Low130 Ų130100.7 Ų100.780%0.79857%0.574SS**  trans-83.193.7173.38.80000107.9K692 V696K692-T694 PolarHBondContact O-N 2.95Å; T694-V696 PolarHBondContact O-N 2.85Å
695A37.3Very low55.1Low97 Ų9794.7 Ų94.780%0.80255%0.547SS*.  trans-51.8119.7-173.500000112.6E693 A697E693-A695 PolarHBondContact O-N 3.12Å; E693-A695 VanDerWaalsContact O-N 3.17Å; A695-A697 PolarHBondContact O-N 2.83Å; A695-A697 VanDerWaalsContact O-N 3.14Å
696V41.4Very low57.1Low144 Ų14494.2 Ų94.287%0.87354%0.538SS*.  trans-70.5109.5177179.80000108.9T694T694-V696 PolarHBondContact O-N 2.85Å
697A50.7Low59.3Low81 Ų8190 Ų9067%0.66951%0.508SS*.PPolyproline II helixtrans-56.8137.3-176.200000112.3A695 R699A695-A697 PolarHBondContact O-N 2.83Å; A695-A697 VanDerWaalsContact O-N 3.14Å; A697-R699 PolarHBondContact O-N 3.15Å
698P61.2Low61.8Low113 Ų11388.3 Ų88.373%0.73450%0.5SS*.PPolyproline II helixtrans-65.7129.7-179.426.8-34.1000110.8
699R72.1Confident64.3Low204 Ų20489.5 Ų89.577%0.7750%0.495SS*.PPolyproline II helixtrans-59.4137.8-179.2-62.3-171.4-171.5-174.44.5110.9A697A697-R699 PolarHBondContact O-N 3.15Å
700P86.6Confident67Low35 Ų3591.9 Ų91.923%0.22750%0.498CS..PPolyproline II helixtrans-68.5143.4-175.829-36.1000112.3F702 V724 T737 L775P700-F702 HydrophobicContact CB-CD2 4.41Å; P700-F702 HydrophobicContact CB-CE2 3.81Å; P700-F702 HydrophobicContact CG-CE2 4.28Å; P700-V724 HydrophobicContact CG-CG1 4.38Å; P700-T737 WeakPolarHBondContact CA-OG1 3.25Å; P700-L775 HydrophobicContact CG-CD1 4.07Å
701V91.3Very high69.5Low23 Ų2387.8 Ų87.814%0.13948%0.475CS..EExtended strand (participates in β ladder)trans-128.6115.7177.7-179.90000108.4K725 T737 H738V701-K725 WeakPolarHBondContact CA-O 3.43Å; V701-K725 HydrophobicContact CG2-CB 4.28Å; V701-T737 PolarHBondContact N-OG1 3.45Å; V701-T737 PolarHBondContact O-N 3.23Å; V701-H738 PolarHBondContact O-N 3.12Å; V701-H738 VanDerWaalsContact O-N 3.13Å
702F92.9Very high72.3Confident0 Ų085 Ų850%045%0.453CS..EExtended strand (participates in β ladder)trans-94.7138-175.3-74.8-100.9000112.9P700 L719 V724 K725 Y726 A727 H738 I740 F765 L775P700-F702 HydrophobicContact CB-CD2 4.41Å; P700-F702 HydrophobicContact CB-CE2 3.81Å; P700-F702 HydrophobicContact CG-CE2 4.28Å; F702-L719 HydrophobicContact CB-CD1 3.73Å; F702-L719 HydrophobicContact CD1-CD1 4.38Å; F702-L719 HydrophobicContact CD2-CD1 4.3Å; F702-L719 HydrophobicContact CD2-CD2 4.46Å; F702-L719 HydrophobicContact CG-CD1 3.89Å; F702-V724 HydrophobicContact CD2-CG1 3.39Å; F702-V724 HydrophobicContact CE2-CG1 3.46Å; F702-V724 VanDerWaalsContact CE2-CG1 3.46Å; F702-K725 PolarHBondContact N-O 2.68Å; F702-Y726 CarbonylContact O-C 3.54Å; F702-Y726 WeakPolarHBondContact O-CA 3.18Å; F702-Y726 WeakPolarHBondContact O-CB 3.42Å; F702-A727 PolarHBondContact O-N 3Å; F702-H738 CarbonylContact C-O 3.51Å; F702-H738 VanDerWaalsContact CA-O 3.3Å; F702-H738 WeakPolarHBondContact CA-O 3.35Å; F702-H738 HydrophobicContact CD1-CB 3.46Å; F702-H738 VanDerWaalsContact CD1-CB 3.46Å; F702-H738 HydrophobicContact CD2-CB 4.27Å; F702-H738 HydrophobicContact CE1-CB 3.39Å; F702-H738 AromaticContact CE1-CG 3.76Å; F702-H738 HydrophobicContact CE2-CB 4.22Å; F702-H738 HydrophobicContact CG-CB 3.91Å; F702-H738 HydrophobicContact CZ-CB 3.79Å; F702-H738 AromaticContact CZ-CD2 3.82Å; F702-H738 AromaticContact CZ-CG 3.65Å; F702-I740 HydrophobicContact CD1-CD1 3.84Å; F702-I740 HydrophobicContact CD1-CG1 3.98Å; F702-I740 HydrophobicContact CE1-CD1 3.93Å; F702-F765 HydrophobicContact CE1-CD1 4.02Å; F702-F765 AromaticContact CE1-CE1 3.54Å; F702-F765 HydrophobicContact CE1-CE1 3.54Å; F702-F765 HydrophobicContact CE1-CZ 4.38Å; F702-F765 HydrophobicContact CZ-CD1 4.48Å; F702-F765 AromaticContact CZ-CE1 3.57Å; F702-F765 HydrophobicContact CZ-CE1 3.57Å; F702-F765 HydrophobicContact CZ-CZ 4.1Å; F702-L775 HydrophobicContact CZ-CD2 4.47Å
703L92.6Very high74.9Confident0 Ų084.1 Ų84.10%045%0.445CS..EExtended strand (participates in β ladder)trans-113.9158.7165-77.9-178.4000111A727 Y732 E733 C736 H738 L739 I740L703-A727 HydrophobicContact CD2-CB 3.79Å; L703-Y732 HydrophobicContact CD1-CD2 3.7Å; L703-Y732 HydrophobicContact CD1-CE2 3.93Å; L703-Y732 HydrophobicContact CD1-CG 4.16Å; L703-E733 HydrophobicContact CD1-CB 3.98Å; L703-E733 HydrophobicContact CD2-CB 3.96Å; L703-E733 HydrophobicContact CG-CB 4.3Å; L703-C736 HydrophobicContact CD1-CB 3.63Å; L703-C736 HydrophobicContact CG-CB 3.92Å; L703-H738 PolarHBondContact N-O 2.93Å; L703-L739 HydrophobicContact CB-CD1 3.63Å; L703-I740 PolarHBondContact O-N 3.36Å
704F91.2Very high77.6Confident10 Ų1078.6 Ų78.64%0.04442%0.422CS..EExtended strand (participates in β ladder)trans-116.2140.4173.2-55.7-69.2000111.2I707 R712 F715 Q716 L719 Y726 L728 I740 K749F704-I707 HydrophobicContact CB-CD1 3.74Å; F704-I707 HydrophobicContact CB-CG1 4.13Å; F704-I707 HydrophobicContact CD1-CD1 3.5Å; F704-I707 HydrophobicContact CE1-CD1 4.32Å; F704-I707 HydrophobicContact CG-CD1 3.77Å; F704-R712 HydrophobicContact CD2-CG 4.31Å; F704-F715 HydrophobicContact CD1-CD2 4.31Å; F704-F715 HydrophobicContact CE1-CB 3.62Å; F704-F715 HydrophobicContact CE1-CD2 4.05Å; F704-F715 HydrophobicContact CE1-CG 4.34Å; F704-F715 HydrophobicContact CZ-CB 3.92Å; F704-Q716 HydrophobicContact CE2-CG 4.45Å; F704-L719 HydrophobicContact CE1-CD1 4.45Å; F704-L719 HydrophobicContact CZ-CD1 3.91Å; F704-Y726 HydrophobicContact CE2-CD2 4.25Å; F704-Y726 HydrophobicContact CE2-CG 4.3Å; F704-L728 HydrophobicContact CD2-CD2 4.01Å; F704-L728 HydrophobicContact CE2-CD2 4.01Å; F704-I740 HydrophobicContact CD1-CB 4.02Å; F704-I740 HydrophobicContact CD1-CG1 4.29Å; F704-I740 HydrophobicContact CE1-CB 4.43Å; F704-I740 HydrophobicContact CE1-CG1 4.23Å; F704-K749 PolarHBondContact O-NZ 3.32Å
705T89.7Confident80.5Confident8 Ų872.5 Ų72.55%0.04938%0.384CS..EExtended strand (participates in β ladder)trans-141.6145.8166.9-164.20000111.4I707 L739 I740 A741 G742 T747 V750T705-I707 PolarHBondContact O-N 3.04Å; T705-L739 HydrophobicContact CG2-CD1 3.86Å; T705-L739 HydrophobicContact CG2-CD2 4.03Å; T705-L739 HydrophobicContact CG2-CG 4.03Å; T705-I740 PolarHBondContact N-O 3.24Å; T705-A741 HydrophobicContact CG2-CB 3.57Å; T705-A741 WeakPolarHBondContact O-CA 3.5Å; T705-G742 PolarHBondContact O-N 3.27Å; T705-T747 WeakPolarHBondContact OG1-CB 3.46Å; T705-T747 VanDerWaalsContact OG1-CG2 3.26Å; T705-T747 WeakPolarHBondContact OG1-CG2 3.41Å; T705-T747 PolarHBondContact OG1-OG1 3.48Å; T705-V750 HydrophobicContact CG2-CG2 3.99Å
706L85.2Confident83.2Confident65 Ų6569.9 Ų69.934%0.3436%0.355SS..SBendtrans58.213.9172.2-60.1146.4000117S743 G745 R746 T747L706-S743 VanDerWaalsContact CD1-O 3.25Å; L706-S743 WeakPolarHBondContact CD1-O 3.26Å; L706-G745 WeakPolarHBondContact CD1-O 3.44Å; L706-R746 HydrophobicContact CD2-CB 4.2Å; L706-T747 HydrophobicContact CD1-CG2 4.13Å; L706-T747 HydrophobicContact CD2-CG2 4.11Å; L706-T747 HydrophobicContact CG-CG2 3.94Å
707I86.9Confident85.6Confident9 Ų966.4 Ų66.45%0.04634%0.337CS..  trans-93.3151.5172.764.7171.2000112.2F704 T705 Q711 R712 F715 P763F704-I707 HydrophobicContact CB-CD1 3.74Å; F704-I707 HydrophobicContact CB-CG1 4.13Å; F704-I707 HydrophobicContact CD1-CD1 3.5Å; F704-I707 HydrophobicContact CE1-CD1 4.32Å; F704-I707 HydrophobicContact CG-CD1 3.77Å; T705-I707 PolarHBondContact O-N 3.04Å; I707-Q711 HydrophobicContact CB-CB 4.16Å; I707-R712 HydrophobicContact CD1-CB 3.79Å; I707-R712 HydrophobicContact CD1-CG 4.14Å; I707-R712 HydrophobicContact CG1-CB 4.22Å; I707-R712 PolarHBondContact O-NH2 2.82Å; I707-F715 HydrophobicContact CD1-CD2 3.63Å; I707-F715 HydrophobicContact CD1-CE2 3.96Å; I707-F715 HydrophobicContact CG2-CE2 4.23Å; I707-P763 HydrophobicContact CG2-CG 4.46Å
708S86.4Confident87.5Confident52 Ų5262.5 Ų62.536%0.36431%0.306SS..  trans-63.3164.7176.780.20000112.3E710 Q711 R712S708-E710 PolarHBondContact O-N 3.22Å; S708-E710 PolarHBondContact OG-N 2.93Å; S708-Q711 WeakPolarHBondContact OG-CB 3.33Å; S708-Q711 WeakPolarHBondContact OG-CG 3.48Å; S708-Q711 PolarHBondContact OG-N 2.93Å; S708-Q711 PolarHBondContact OG-OE1 3.21Å; S708-R712 VanDerWaalsContact O-CB 3.27Å; S708-R712 WeakPolarHBondContact O-CB 3.46Å; S708-R712 PolarHBondContact O-N 2.57Å
709E84.9Confident89Confident118 Ų11857.1 Ų57.155%0.55127%0.271SS*.Hα-helixtrans-64.3-31.9173.3-73.4-153.9178.200112.8R713E709-R713 VanDerWaalsContact O-CG 3.29Å; E709-R713 WeakPolarHBondContact O-CG 3.4Å; E709-R713 PolarHBondContact O-N 3.16Å; E709-R713 IonicContact OE2-NH2 3.17Å; E709-R713 PolarHBondContact OE2-NH2 3.15Å; E709-R713 VanDerWaalsContact OE2-NH2 3.08Å
710E87.3Confident89.9Confident162 Ų16250.7 Ų50.776%0.75726%0.257SS*.Hα-helixtrans-70.1-52.1179.5-177173.5-166.500111.2S708 R712 R713 N714S708-E710 PolarHBondContact O-N 3.22Å; S708-E710 PolarHBondContact OG-N 2.93Å; E710-R712 PolarHBondContact O-N 3.17Å; E710-R713 PolarHBondContact O-N 3.05Å; E710-R713 VanDerWaalsContact O-N 3.11Å; E710-N714 PolarHBondContact O-N 3.11Å
711Q88.3Confident90.1Very high71 Ų7154.8 Ų54.833%0.33227%0.268SS..Hα-helixtrans-53.9-43.4172.1-75172.9-44.500111.1I707 S708 R713 N714 F715I707-Q711 HydrophobicContact CB-CB 4.16Å; S708-Q711 WeakPolarHBondContact OG-CB 3.33Å; S708-Q711 WeakPolarHBondContact OG-CG 3.48Å; S708-Q711 PolarHBondContact OG-N 2.93Å; S708-Q711 PolarHBondContact OG-OE1 3.21Å; Q711-R713 PolarHBondContact O-N 2.79Å; Q711-N714 PolarHBondContact O-N 3.24Å; Q711-F715 HydrophobicContact CB-CD2 4.46Å; Q711-F715 HydrophobicContact CB-CE2 3.86Å; Q711-F715 HydrophobicContact CB-CZ 3.97Å; Q711-F715 HydrophobicContact CG-CZ 4.25Å; Q711-F715 WeakPolarHBondContact O-CB 3.44Å; Q711-F715 WeakPolarHBondContact O-CD1 3.45Å; Q711-F715 WeakPolarHBondContact O-CD2 3.32Å; Q711-F715 WeakPolarHBondContact O-CG 3.47Å; Q711-F715 PolarHBondContact O-N 2.83Å
712R90.9Very high90Very high90 Ų9055.2 Ų55.234%0.3427%0.269SS..Hα-helixtrans-61.6-41.2178.6-166.4-178.4-51.714414.1112.6F704 I707 S708 E710 Q716F704-R712 HydrophobicContact CD2-CG 4.31Å; I707-R712 HydrophobicContact CD1-CB 3.79Å; I707-R712 HydrophobicContact CD1-CG 4.14Å; I707-R712 HydrophobicContact CG1-CB 4.22Å; I707-R712 PolarHBondContact O-NH2 2.82Å; S708-R712 VanDerWaalsContact O-CB 3.27Å; S708-R712 WeakPolarHBondContact O-CB 3.46Å; S708-R712 PolarHBondContact O-N 2.57Å; E710-R712 PolarHBondContact O-N 3.17Å; R712-Q716 WeakPolarHBondContact O-CB 3.41Å; R712-Q716 VanDerWaalsContact O-CD 3.32Å; R712-Q716 WeakPolarHBondContact O-CG 3.38Å; R712-Q716 PolarHBondContact O-N 3.27Å
713R90.8Very high89.8Confident160 Ų16062.4 Ų62.460%0.60431%0.307SS*.Hα-helixtrans-66.8-40175.2-70.1171.5-157.7-153.88.2111.6E709 E710 Q711 S717E709-R713 VanDerWaalsContact O-CG 3.29Å; E709-R713 WeakPolarHBondContact O-CG 3.4Å; E709-R713 PolarHBondContact O-N 3.16Å; E709-R713 IonicContact OE2-NH2 3.17Å; E709-R713 PolarHBondContact OE2-NH2 3.15Å; E709-R713 VanDerWaalsContact OE2-NH2 3.08Å; E710-R713 PolarHBondContact O-N 3.05Å; E710-R713 VanDerWaalsContact O-N 3.11Å; Q711-R713 PolarHBondContact O-N 2.79Å; R713-S717 PolarHBondContact O-N 2.76Å; R713-S717 VanDerWaalsContact O-N 3.13Å
714N91.2Very high89.6Confident78 Ų7863.2 Ų63.242%0.41731%0.312SS..Hα-helixtrans-61.9-51.7175.4-167.233.4000111E710 Q711 Q716 S717 V718E710-N714 PolarHBondContact O-N 3.11Å; Q711-N714 PolarHBondContact O-N 3.24Å; N714-Q716 VanDerWaalsContact C-N 3.32Å; N714-Q716 PolarHBondContact O-N 3.34Å; N714-S717 WeakPolarHBondContact O-CA 2.94Å; N714-S717 VanDerWaalsContact O-CB 3.28Å; N714-S717 WeakPolarHBondContact O-CB 3.48Å; N714-S717 PolarHBondContact O-N 3.34Å; N714-V718 PolarHBondContact O-N 2.88Å
715F92.7Very high89.6Confident2 Ų269.2 Ų69.21%0.00934%0.338CS..Hα-helixtrans-66.5-31.8-177.8-55.2-19.7000113F704 I707 Q711 L719 I740 P763 I766 E767F704-F715 HydrophobicContact CD1-CD2 4.31Å; F704-F715 HydrophobicContact CE1-CB 3.62Å; F704-F715 HydrophobicContact CE1-CD2 4.05Å; F704-F715 HydrophobicContact CE1-CG 4.34Å; F704-F715 HydrophobicContact CZ-CB 3.92Å; I707-F715 HydrophobicContact CD1-CD2 3.63Å; I707-F715 HydrophobicContact CD1-CE2 3.96Å; I707-F715 HydrophobicContact CG2-CE2 4.23Å; Q711-F715 HydrophobicContact CB-CD2 4.46Å; Q711-F715 HydrophobicContact CB-CE2 3.86Å; Q711-F715 HydrophobicContact CB-CZ 3.97Å; Q711-F715 HydrophobicContact CG-CZ 4.25Å; Q711-F715 WeakPolarHBondContact O-CB 3.44Å; Q711-F715 WeakPolarHBondContact O-CD1 3.45Å; Q711-F715 WeakPolarHBondContact O-CD2 3.32Å; Q711-F715 WeakPolarHBondContact O-CG 3.47Å; Q711-F715 PolarHBondContact O-N 2.83Å; F715-L719 WeakPolarHBondContact O-CB 3.39Å; F715-L719 WeakPolarHBondContact O-CG 3.32Å; F715-L719 PolarHBondContact O-N 3.32Å; F715-I740 HydrophobicContact CD2-CG2 4.49Å; F715-I740 HydrophobicContact CE2-CG2 4.37Å; F715-P763 HydrophobicContact CE2-CB 3.97Å; F715-P763 HydrophobicContact CZ-CB 3.74Å; F715-I766 HydrophobicContact CB-CG1 4.4Å; F715-I766 HydrophobicContact CB-CG2 3.88Å; F715-I766 HydrophobicContact CD1-CB 3.74Å; F715-I766 HydrophobicContact CD1-CG1 4.3Å; F715-I766 HydrophobicContact CD1-CG2 3.37Å; F715-I766 HydrophobicContact CD2-CG1 4.42Å; F715-I766 HydrophobicContact CE1-CB 4.1Å; F715-I766 HydrophobicContact CE1-CG2 4.14Å; F715-I766 HydrophobicContact CG-CB 4.08Å; F715-I766 HydrophobicContact CG-CG1 4.13Å; F715-I766 HydrophobicContact CG-CG2 3.78Å; F715-E767 HydrophobicContact CE1-CG 4.42Å
716Q92.1Very high89.6Confident42 Ų4272.1 Ų72.120%0.19635%0.349CS..Hα-helixtrans-59-45.6167.6-76.7164.3-7.400111.5F704 R712 N714 S720 Y726 L728F704-Q716 HydrophobicContact CE2-CG 4.45Å; R712-Q716 WeakPolarHBondContact O-CB 3.41Å; R712-Q716 VanDerWaalsContact O-CD 3.32Å; R712-Q716 WeakPolarHBondContact O-CG 3.38Å; R712-Q716 PolarHBondContact O-N 3.27Å; N714-Q716 VanDerWaalsContact C-N 3.32Å; N714-Q716 PolarHBondContact O-N 3.34Å; Q716-S720 WeakPolarHBondContact O-CB 3.46Å; Q716-S720 PolarHBondContact O-N 3.06Å; Q716-S720 PolarHBondContact O-OG 2.87Å; Q716-S720 VanDerWaalsContact O-OG 3.05Å; Q716-Y726 HydrophobicContact CB-CE2 4.48Å; Q716-Y726 HydrophobicContact CG-CD2 4.48Å; Q716-Y726 HydrophobicContact CG-CE2 3.84Å; Q716-L728 HydrophobicContact CG-CD2 4.29Å; Q716-L728 VanDerWaalsContact NE2-CD1 3.28Å
717S92Very high89.7Confident71 Ų7170 Ų7050%0.49734%0.341SS..Hα-helixtrans-62.7-47.3178.8-168.20000112.1R713 N714 S720 R721R713-S717 PolarHBondContact O-N 2.76Å; R713-S717 VanDerWaalsContact O-N 3.13Å; N714-S717 WeakPolarHBondContact O-CA 2.94Å; N714-S717 VanDerWaalsContact O-CB 3.28Å; N714-S717 WeakPolarHBondContact O-CB 3.48Å; N714-S717 PolarHBondContact O-N 3.34Å; S717-S720 PolarHBondContact O-N 3.33Å; S717-R721 PolarHBondContact O-N 2.97Å
718V91.6Very high89.6Confident0 Ų074.7 Ų74.70%037%0.365CS..Hα-helixtrans-60.8-54.2177.8178.50000111N714 S720 R721 L722 I766 D770N714-V718 PolarHBondContact O-N 2.88Å; V718-S720 VanDerWaalsContact C-N 3.3Å; V718-S720 PolarHBondContact O-N 3.32Å; V718-R721 PolarHBondContact O-N 2.89Å; V718-R721 VanDerWaalsContact O-N 3.14Å; V718-L722 HydrophobicContact CG1-CD1 3.92Å; V718-L722 HydrophobicContact CG1-CG 4.46Å; V718-L722 WeakPolarHBondContact O-CG 3.47Å; V718-L722 PolarHBondContact O-N 3.37Å; V718-I766 HydrophobicContact CB-CG2 3.87Å; V718-I766 HydrophobicContact CG1-CG2 3.85Å; V718-I766 HydrophobicContact CG2-CG2 4.23Å; V718-D770 HydrophobicContact CG1-CB 3.87Å; V718-D770 HydrophobicContact CG2-CB 3.81Å; V718-D770 WeakPolarHBondContact CG2-OD2 3.14Å
719L91.9Very high89.4Confident0 Ų074.2 Ų74.20%036%0.361CS..Hα-helixtrans-63.9-34.1-179.3-67.1-176.7000112.6F702 F704 F715 L722 N723 V724 Y726 I766F702-L719 HydrophobicContact CB-CD1 3.73Å; F702-L719 HydrophobicContact CD1-CD1 4.38Å; F702-L719 HydrophobicContact CD2-CD1 4.3Å; F702-L719 HydrophobicContact CD2-CD2 4.46Å; F702-L719 HydrophobicContact CG-CD1 3.89Å; F704-L719 HydrophobicContact CE1-CD1 4.45Å; F704-L719 HydrophobicContact CZ-CD1 3.91Å; F715-L719 WeakPolarHBondContact O-CB 3.39Å; F715-L719 WeakPolarHBondContact O-CG 3.32Å; F715-L719 PolarHBondContact O-N 3.32Å; L719-L722 CarbonylContact O-C 3.49Å; L719-L722 PolarHBondContact O-N 2.92Å; L719-N723 PolarHBondContact O-N 2.94Å; L719-N723 VanDerWaalsContact O-N 3.13Å; L719-V724 HydrophobicContact CB-CB 4.3Å; L719-V724 HydrophobicContact CD2-CB 4.05Å; L719-V724 HydrophobicContact CD2-CG1 3.95Å; L719-V724 PolarHBondContact O-N 3.46Å; L719-Y726 HydrophobicContact CB-CD1 3.72Å; L719-Y726 HydrophobicContact CB-CE1 4.12Å; L719-Y726 HydrophobicContact CD1-CD1 4.06Å; L719-Y726 HydrophobicContact CD1-CG 4.4Å; L719-I766 HydrophobicContact CD1-CD1 4.23Å; L719-I766 HydrophobicContact CD2-CD1 3.75Å; L719-I766 HydrophobicContact CG-CD1 4.06Å
720S91.2Very high89Confident68 Ų6873.8 Ų73.848%0.47637%0.37SS..Hα-helixtrans-65-42.5172.8-74.90000112.4Q716 S717 V718 L722 N723 Y726Q716-S720 WeakPolarHBondContact O-CB 3.46Å; Q716-S720 PolarHBondContact O-N 3.06Å; Q716-S720 PolarHBondContact O-OG 2.87Å; Q716-S720 VanDerWaalsContact O-OG 3.05Å; S717-S720 PolarHBondContact O-N 3.33Å; V718-S720 VanDerWaalsContact C-N 3.3Å; V718-S720 PolarHBondContact O-N 3.32Å; S720-L722 VanDerWaalsContact C-N 3.32Å; S720-L722 PolarHBondContact O-N 3.44Å; S720-N723 PolarHBondContact O-N 2.85Å; S720-N723 VanDerWaalsContact O-N 3.15Å; S720-Y726 WeakPolarHBondContact OG-CE1 3.4Å; S720-Y726 PolarHBondContact OG-OH 3.27Å
721R91.1Very high88.8Confident122 Ų12267.8 Ų67.846%0.4635%0.346SS..Hα-helixtrans-63.8-36.4173.8164.4162.840.7101.9-2.3112.2S717 V718 N723 D770 N773S717-R721 PolarHBondContact O-N 2.97Å; V718-R721 PolarHBondContact O-N 2.89Å; V718-R721 VanDerWaalsContact O-N 3.14Å; R721-N723 PolarHBondContact O-N 3.2Å; R721-D770 IonicContact CZ-OD1 3.68Å; R721-D770 IonicContact NH1-OD1 3.87Å; R721-D770 PolarHBondContact NH1-OD1 3.16Å; R721-D770 IonicContact NH2-OD1 3.92Å; R721-D770 PolarHBondContact NH2-OD1 3.43Å; R721-D770 IonicContact NH2-OD2 3.24Å; R721-N773 PolarHBondContact NH1-OD1 3.41Å
722L89.7Confident88.7Confident32 Ų3264.7 Ų64.717%0.16833%0.331CS..THydrogen-bonded Turntrans-78.60175.7-61.2177.6000113.7V718 L719 S720 V724 C769 N773 L775V718-L722 HydrophobicContact CG1-CD1 3.92Å; V718-L722 HydrophobicContact CG1-CG 4.46Å; V718-L722 WeakPolarHBondContact O-CG 3.47Å; V718-L722 PolarHBondContact O-N 3.37Å; L719-L722 CarbonylContact O-C 3.49Å; L719-L722 PolarHBondContact O-N 2.92Å; S720-L722 VanDerWaalsContact C-N 3.32Å; S720-L722 PolarHBondContact O-N 3.44Å; L722-V724 HydrophobicContact CB-CG2 3.87Å; L722-V724 PolarHBondContact O-N 3.04Å; L722-C769 HydrophobicContact CD1-CB 3.85Å; L722-N773 VanDerWaalsContact CD2-C 3.48Å; L722-L775 HydrophobicContact CD1-CD2 4.48Å
723N88.6Confident88.5Confident150 Ų15063 Ų6380%0.80233%0.328SS*.THydrogen-bonded Turntrans57.433.9-176.8-164.920.8000113.7L719 S720 R721L719-N723 PolarHBondContact O-N 2.94Å; L719-N723 VanDerWaalsContact O-N 3.13Å; S720-N723 PolarHBondContact O-N 2.85Å; S720-N723 VanDerWaalsContact O-N 3.15Å; R721-N723 PolarHBondContact O-N 3.2Å
724V87.7Confident88.4Confident18 Ų1859.2 Ų59.211%0.10932%0.323CS..  trans-99.1138.6-177.5175.40000110.4P700 F702 L719 L722 L775P700-V724 HydrophobicContact CG-CG1 4.38Å; F702-V724 HydrophobicContact CD2-CG1 3.39Å; F702-V724 HydrophobicContact CE2-CG1 3.46Å; F702-V724 VanDerWaalsContact CE2-CG1 3.46Å; L719-V724 HydrophobicContact CB-CB 4.3Å; L719-V724 HydrophobicContact CD2-CB 4.05Å; L719-V724 HydrophobicContact CD2-CG1 3.95Å; L719-V724 PolarHBondContact O-N 3.46Å; L722-V724 HydrophobicContact CB-CG2 3.87Å; L722-V724 PolarHBondContact O-N 3.04Å; V724-L775 HydrophobicContact CG2-CD1 4.05Å; V724-L775 HydrophobicContact CG2-CD2 4.14Å; V724-L775 HydrophobicContact CG2-CG 4.23Å
725K90.6Very high88.2Confident135 Ų13559.6 Ų59.659%0.58733%0.329SS*.EExtended strand (participates in β ladder)trans-77.1137.6179.2-71.4-171.6174.5-173.40111.3V701 F702V701-K725 WeakPolarHBondContact CA-O 3.43Å; V701-K725 HydrophobicContact CG2-CB 4.28Å; F702-K725 PolarHBondContact N-O 2.68Å
726Y90.6Very high88.1Confident70 Ų7059.5 Ų59.528%0.27533%0.328SS..EExtended strand (participates in β ladder)trans-137.1160168.558.1-97.8000110.9F702 F704 Q716 L719 S720 L728F702-Y726 CarbonylContact O-C 3.54Å; F702-Y726 WeakPolarHBondContact O-CA 3.18Å; F702-Y726 WeakPolarHBondContact O-CB 3.42Å; F704-Y726 HydrophobicContact CE2-CD2 4.25Å; F704-Y726 HydrophobicContact CE2-CG 4.3Å; Q716-Y726 HydrophobicContact CB-CE2 4.48Å; Q716-Y726 HydrophobicContact CG-CD2 4.48Å; Q716-Y726 HydrophobicContact CG-CE2 3.84Å; L719-Y726 HydrophobicContact CB-CD1 3.72Å; L719-Y726 HydrophobicContact CB-CE1 4.12Å; L719-Y726 HydrophobicContact CD1-CD1 4.06Å; L719-Y726 HydrophobicContact CD1-CG 4.4Å; S720-Y726 WeakPolarHBondContact OG-CE1 3.4Å; S720-Y726 PolarHBondContact OG-OH 3.27Å; Y726-L728 HydrophobicContact CD2-CD2 3.75Å; Y726-L728 HydrophobicContact CD2-CG 4.06Å; Y726-L728 HydrophobicContact CE2-CD1 4.17Å; Y726-L728 HydrophobicContact CE2-CD2 3.95Å; Y726-L728 HydrophobicContact CE2-CG 4.06Å
727A87.5Confident88.1Confident21 Ų2159.2 Ų59.217%0.17433%0.33CS..EExtended strand (participates in β ladder)trans-123.2141.1175.600000111.7F702 L703 E733F702-A727 PolarHBondContact O-N 3Å; L703-A727 HydrophobicContact CD2-CB 3.79Å; A727-E733 HydrophobicContact CB-CG 4.35Å
728L84.1Confident88.2Confident106 Ų10656.3 Ų56.356%0.55531%0.308SS*.  trans-107.433.7-176-55.6-177.4000112.2F704 Q716 Y726F704-L728 HydrophobicContact CD2-CD2 4.01Å; F704-L728 HydrophobicContact CE2-CD2 4.01Å; Q716-L728 HydrophobicContact CG-CD2 4.29Å; Q716-L728 VanDerWaalsContact NE2-CD1 3.28Å; Y726-L728 HydrophobicContact CD2-CD2 3.75Å; Y726-L728 HydrophobicContact CD2-CG 4.06Å; Y726-L728 HydrophobicContact CE2-CD1 4.17Å; Y726-L728 HydrophobicContact CE2-CD2 3.95Å; Y726-L728 HydrophobicContact CE2-CG 4.06Å
729T82.3Confident88.3Confident43 Ų4356.3 Ų56.326%0.26431%0.308SS..  trans-76.5147.2178.842.50000111.8S731 K749T729-S731 PolarHBondContact OG1-O 2.95Å; T729-K749 PolarHBondContact O-NZ 2.95Å
730S77.7Confident88.4Confident108 Ų10856.3 Ų56.376%0.75531%0.308SS*.SBendtrans-80.4-34.9171.153.20000112K749S730-K749 WeakPolarHBondContact O-CE 3.28Å
731S82.9Confident88.4Confident36 Ų3653.1 Ų53.125%0.25229%0.286SS..SBendtrans-66.5166.716441.80000112.5T729 K749 E835T729-S731 PolarHBondContact OG1-O 2.95Å; S731-K749 WeakPolarHBondContact O-CE 3.31Å; S731-E835 WeakPolarHBondContact CA-OE1 3.36Å; S731-E835 WeakPolarHBondContact CB-OE1 3.33Å
732Y85.6Confident88.2Confident6 Ų648.6 Ų48.62%0.02428%0.277CS..  trans-72.8145.5159.8-171.3-90.5000109.9L703 C736 K749 S752 A753 K756 C758 E835 N839L703-Y732 HydrophobicContact CD1-CD2 3.7Å; L703-Y732 HydrophobicContact CD1-CE2 3.93Å; L703-Y732 HydrophobicContact CD1-CG 4.16Å; Y732-C736 HydrophobicContact CE1-CB 4.15Å; Y732-C736 HydrophobicContact CE2-CB 4.25Å; Y732-K749 HydrophobicContact CD2-CB 4.2Å; Y732-K749 HydrophobicContact CD2-CG 4.25Å; Y732-S752 VanDerWaalsContact CG-CB 3.46Å; Y732-A753 HydrophobicContact CE2-CB 3.96Å; Y732-K756 HydrophobicContact CE1-CD 4.32Å; Y732-C758 PolarHBondContact OH-SG 2.87Å; Y732-C758 VanDerWaalsContact OH-SG 3.42Å; Y732-E835 PolarHBondContact N-OE1 3.3Å; Y732-N839 HydrophobicContact CD1-CB 4.17Å; Y732-N839 VanDerWaalsContact CD1-CG 3.44Å; Y732-N839 WeakPolarHBondContact CD1-ND2 3.19Å; Y732-N839 HydrophobicContact CE1-CB 4.23Å
733E87.2Confident87.9Confident56 Ų5648.8 Ų48.826%0.26228%0.281SS..  trans-105.8119.2-176.8-18055.4-135.300109.3L703 A727 T735 C736L703-E733 HydrophobicContact CD1-CB 3.98Å; L703-E733 HydrophobicContact CD2-CB 3.96Å; L703-E733 HydrophobicContact CG-CB 4.3Å; A727-E733 HydrophobicContact CB-CG 4.35Å; E733-T735 WeakPolarHBondContact CG-OG1 3.45Å; E733-T735 PolarHBondContact O-N 2.98Å; E733-T735 PolarHBondContact OE1-OG1 3.25Å; E733-C736 WeakPolarHBondContact O-CB 3.26Å; E733-C736 PolarHBondContact O-N 3.39Å
734P87.2Confident87.3Confident79 Ų7941.9 Ų41.951%0.51324%0.244SC..THydrogen-bonded Turntrans-58.7-21.6-176-27.836.1000114.7K756P734-K756 PolarHBondContact O-NZ 2.82Å
735T88.6Confident86.4Confident86 Ų8641.6 Ų41.653%0.52825%0.245SC..THydrogen-bonded Turntrans-84.9-5.7176.159.70000114.6E733E733-T735 WeakPolarHBondContact CG-OG1 3.45Å; E733-T735 PolarHBondContact O-N 2.98Å; E733-T735 PolarHBondContact OE1-OG1 3.25Å
736C90.6Very high85.1Confident0 Ų043.4 Ų43.40%025%0.248CC..  trans-54.6138.6176.5178.10000112.4L703 Y732 E733 H738 K756 C758L703-C736 HydrophobicContact CD1-CB 3.63Å; L703-C736 HydrophobicContact CG-CB 3.92Å; Y732-C736 HydrophobicContact CE1-CB 4.15Å; Y732-C736 HydrophobicContact CE2-CB 4.25Å; E733-C736 WeakPolarHBondContact O-CB 3.26Å; E733-C736 PolarHBondContact O-N 3.39Å; C736-H738 PolarHBondContact SG-O 2.92Å; C736-K756 PolarHBondContact O-NZ 2.86Å; C736-C758 PolarHBondContact O-SG 2.8Å; C736-C758 VanDerWaalsContact O-SG 3.36Å
737T91.4Very high84.4Confident37 Ų3741 Ų4123%0.22724%0.241CC..  trans-120.3-21168.255.50000113P700 V701 C758 W759P700-T737 WeakPolarHBondContact CA-OG1 3.25Å; V701-T737 PolarHBondContact N-OG1 3.45Å; V701-T737 PolarHBondContact O-N 3.23Å; T737-C758 WeakPolarHBondContact O-CB 3.31Å; T737-W759 PolarHBondContact O-N 2.8Å
738H94.1Very high84.3Confident10 Ų1040.5 Ų40.55%0.04624%0.236CC..EExtended strand (participates in β ladder)trans-134.5131.9-179.4-59.473.5000110.6V701 F702 L703 C736 W759 E778V701-H738 PolarHBondContact O-N 3.12Å; V701-H738 VanDerWaalsContact O-N 3.13Å; F702-H738 CarbonylContact C-O 3.51Å; F702-H738 VanDerWaalsContact CA-O 3.3Å; F702-H738 WeakPolarHBondContact CA-O 3.35Å; F702-H738 HydrophobicContact CD1-CB 3.46Å; F702-H738 VanDerWaalsContact CD1-CB 3.46Å; F702-H738 HydrophobicContact CD2-CB 4.27Å; F702-H738 HydrophobicContact CE1-CB 3.39Å; F702-H738 AromaticContact CE1-CG 3.76Å; F702-H738 HydrophobicContact CE2-CB 4.22Å; F702-H738 HydrophobicContact CG-CB 3.91Å; F702-H738 HydrophobicContact CZ-CB 3.79Å; F702-H738 AromaticContact CZ-CD2 3.82Å; F702-H738 AromaticContact CZ-CG 3.65Å; L703-H738 PolarHBondContact N-O 2.93Å; C736-H738 PolarHBondContact SG-O 2.92Å; H738-W759 CarbonylContact C-O 3.59Å; H738-W759 AromaticContact CD2-CD1 3.47Å; H738-W759 VanDerWaalsContact CD2-CD1 3.47Å; H738-W759 AromaticContact CD2-CG 3.77Å; H738-W759 AromaticContact CE1-CD1 3.81Å; H738-W759 AromaticContact NE2-CD1 3.16Å; H738-W759 AromaticContact NE2-CG 3.91Å; H738-W759 AromaticContact NE2-NE1 3.72Å; H738-E778 IonicContact NE2-OE1 3.02Å; H738-E778 PolarHBondContact NE2-OE1 3.37Å
739L94.2Very high84.5Confident0 Ų036.4 Ų36.40%021%0.214CC..EExtended strand (participates in β ladder)trans-117.7111.3175.5177.665.6000109.5L703 T705 A741 K749 V750 A753 W759 V760 L761L703-L739 HydrophobicContact CB-CD1 3.63Å; T705-L739 HydrophobicContact CG2-CD1 3.86Å; T705-L739 HydrophobicContact CG2-CD2 4.03Å; T705-L739 HydrophobicContact CG2-CG 4.03Å; L739-A741 PolarHBondContact O-N 2.72Å; L739-K749 HydrophobicContact CD1-CB 4.26Å; L739-K749 HydrophobicContact CD1-CD 4.5Å; L739-K749 HydrophobicContact CD2-CB 4.11Å; L739-K749 WeakPolarHBondContact CD2-O 3.44Å; L739-V750 HydrophobicContact CD2-CG2 4.27Å; L739-A753 HydrophobicContact CB-CB 4.21Å; L739-A753 HydrophobicContact CD2-CB 3.73Å; L739-W759 PolarHBondContact N-O 3.42Å; L739-V760 HydrophobicContact CB-CG2 4.43Å; L739-V760 HydrophobicContact CD2-CG1 4.32Å; L739-V760 HydrophobicContact CD2-CG2 4.41Å; L739-V760 CarbonylContact O-C 3.52Å; L739-V760 WeakPolarHBondContact O-CA 3.45Å; L739-L761 PolarHBondContact O-N 3.09Å
740I93.5Very high85Confident0 Ų034.4 Ų34.40%020%0.202CC..EExtended strand (participates in β ladder)trans-79115.4167.7-49.6-53.4000107.8F702 L703 F704 T705 F715 L761 P763 F765 I766F702-I740 HydrophobicContact CD1-CD1 3.84Å; F702-I740 HydrophobicContact CD1-CG1 3.98Å; F702-I740 HydrophobicContact CE1-CD1 3.93Å; L703-I740 PolarHBondContact O-N 3.36Å; F704-I740 HydrophobicContact CD1-CB 4.02Å; F704-I740 HydrophobicContact CD1-CG1 4.29Å; F704-I740 HydrophobicContact CE1-CB 4.43Å; F704-I740 HydrophobicContact CE1-CG1 4.23Å; T705-I740 PolarHBondContact N-O 3.24Å; F715-I740 HydrophobicContact CD2-CG2 4.49Å; F715-I740 HydrophobicContact CE2-CG2 4.37Å; I740-L761 WeakPolarHBondContact CA-O 3.38Å; I740-L761 HydrophobicContact CD1-CB 3.96Å; I740-L761 HydrophobicContact CD1-CD1 4.43Å; I740-P763 HydrophobicContact CG2-CB 4.42Å; I740-P763 HydrophobicContact CG2-CG 4.38Å; I740-F765 HydrophobicContact CD1-CD1 4.11Å; I740-I766 HydrophobicContact CD1-CD1 3.98Å; I740-I766 HydrophobicContact CD1-CG1 3.99Å; I740-I766 HydrophobicContact CG1-CD1 4.02Å; I740-I766 HydrophobicContact CG1-CG1 3.95Å; I740-I766 HydrophobicContact CG2-CG1 4.47Å
741A90.5Very high85.6Confident0 Ų029.2 Ų29.20%017%0.166CC..EExtended strand (participates in β ladder)trans-111.3127.7178.500000110.3T705 L739 S743 L744 V760 L761 P763 W783T705-A741 HydrophobicContact CG2-CB 3.57Å; T705-A741 WeakPolarHBondContact O-CA 3.5Å; L739-A741 PolarHBondContact O-N 2.72Å; A741-S743 VanDerWaalsContact C-N 3.31Å; A741-L744 HydrophobicContact CB-CD2 4.45Å; A741-V760 HydrophobicContact CB-CG1 4Å; A741-L761 PolarHBondContact N-O 2.74Å; A741-P763 WeakPolarHBondContact O-CD 3.25Å; A741-W783 WeakPolarHBondContact O-CZ2 3.33Å; A741-W783 PolarHBondContact O-NE1 3.19Å
742G87.1Confident86.1Confident27 Ų2727.5 Ų27.528%0.27815%0.154SC..SBendtrans-75.6-17.1174.400000114.4T705T705-G742 PolarHBondContact O-N 3.27Å
743S83.7Confident86.5Confident37 Ų3727.2 Ų27.226%0.25915%0.152SC..SBendtrans-163.5158.4171.1490000110.2L706 A741 G745L706-S743 VanDerWaalsContact CD1-O 3.25Å; L706-S743 WeakPolarHBondContact CD1-O 3.26Å; A741-S743 VanDerWaalsContact C-N 3.31Å; S743-G745 PolarHBondContact O-N 2.84Å
744L76.4Confident86.7Confident4 Ų424.6 Ų24.62%0.02114%0.14CC..SBendtrans-95.674176.5-72.3-172.1000112.8A741 V750 V760 W783 A795 L798 A799A741-L744 HydrophobicContact CB-CD2 4.45Å; L744-V750 HydrophobicContact CD2-CG1 3.96Å; L744-V760 HydrophobicContact CD2-CG1 3.98Å; L744-W783 HydrophobicContact CD1-CB 3.63Å; L744-W783 HydrophobicContact CD1-CD2 3.97Å; L744-W783 HydrophobicContact CD1-CE3 3.92Å; L744-W783 HydrophobicContact CD1-CG 3.89Å; L744-W783 HydrophobicContact CD2-CB 4.36Å; L744-W783 HydrophobicContact CD2-CD2 4.25Å; L744-W783 HydrophobicContact CD2-CG 4.03Å; L744-W783 HydrophobicContact CG-CB 4.14Å; L744-W783 HydrophobicContact CG-CD2 3.65Å; L744-W783 HydrophobicContact CG-CE3 3.77Å; L744-W783 HydrophobicContact CG-CG 3.84Å; L744-W783 HydrophobicContact CG-CZ3 4.38Å; L744-A795 HydrophobicContact CB-CB 4.39Å; L744-A795 WeakPolarHBondContact O-CA 3.35Å; L744-A795 WeakPolarHBondContact O-CB 3.23Å; L744-L798 HydrophobicContact CB-CB 4.24Å; L744-L798 HydrophobicContact CD1-CB 4.37Å; L744-L798 VanDerWaalsContact O-CD1 3.24Å; L744-L798 WeakPolarHBondContact O-CD1 3.23Å; L744-A799 HydrophobicContact CD1-CB 3.65Å
745G68.8Low87Confident13 Ų1320.8 Ų20.813%0.13412%0.116CC..SBendtrans-173.2173.7168.500000111.5L706 S743 T747L706-G745 WeakPolarHBondContact CD1-O 3.44Å; S743-G745 PolarHBondContact O-N 2.84Å; G745-T747 PolarHBondContact O-N 3.37Å
746R63.3Low87.3Confident173 Ų17319 Ų1965%0.65310%0.101SC*.SBendtrans61.822166-44.4168.4-177.3172.40.1118.2Q148 Q152 L706Q148-R746 VanDerWaalsContact OE1-CG 3.27Å; Q148-R746 VanDerWaalsContact OE1-N 3.08Å; Q152-R746 PolarHBondContact NE2-O 3.2Å; L706-R746 HydrophobicContact CD2-CB 4.2Å
747T76.5Confident87.3Confident18 Ų1819.7 Ų19.711%0.1111%0.107CC..  trans-146.8143.1166.752.80000117.9Y149 Q152 T705 L706 G745 K749 V750Y149-T747 VanDerWaalsContact CE1-O 3.22Å; Y149-T747 WeakPolarHBondContact CE1-O 3.39Å; Y149-T747 PolarHBondContact OH-O 2.92Å; Y149-T747 VanDerWaalsContact OH-O 3.14Å; Q152-T747 VanDerWaalsContact OE1-CA 3.3Å; T705-T747 WeakPolarHBondContact OG1-CB 3.46Å; T705-T747 VanDerWaalsContact OG1-CG2 3.26Å; T705-T747 WeakPolarHBondContact OG1-CG2 3.41Å; T705-T747 PolarHBondContact OG1-OG1 3.48Å; L706-T747 HydrophobicContact CD1-CG2 4.13Å; L706-T747 HydrophobicContact CD2-CG2 4.11Å; L706-T747 HydrophobicContact CG-CG2 3.94Å; G745-T747 PolarHBondContact O-N 3.37Å; T747-K749 PolarHBondContact O-N 3.02Å; T747-V750 PolarHBondContact O-N 2.98Å
748S83.7Confident87.4Confident12 Ų1218.5 Ų18.58%0.08410%0.1CC..Hα-helixtrans-49.7-34.3168.170.10000113.9Y149 Q152 V750 S752 E835Y149-S748 VanDerWaalsContact CE1-CA 3.48Å; Q152-S748 VanDerWaalsContact OE1-N 3.08Å; S748-V750 PolarHBondContact O-N 2.82Å; S748-S752 WeakPolarHBondContact O-CB 3.33Å; S748-S752 PolarHBondContact O-N 2.74Å; S748-S752 PolarHBondContact O-OG 3.16Å; S748-E835 WeakPolarHBondContact CB-OE2 3.26Å; S748-E835 PolarHBondContact OG-OE2 3.08Å
749K89.8Confident87.3Confident20 Ų2020 Ų209%0.08711%0.106CC..Hα-helixtrans-62.7-40-179.2-71.2179.6168.9177.50113.6F704 T729 S730 S731 Y732 L739 T747 S752 A753F704-K749 PolarHBondContact O-NZ 3.32Å; T729-K749 PolarHBondContact O-NZ 2.95Å; S730-K749 WeakPolarHBondContact O-CE 3.28Å; S731-K749 WeakPolarHBondContact O-CE 3.31Å; Y732-K749 HydrophobicContact CD2-CB 4.2Å; Y732-K749 HydrophobicContact CD2-CG 4.25Å; L739-K749 HydrophobicContact CD1-CB 4.26Å; L739-K749 HydrophobicContact CD1-CD 4.5Å; L739-K749 HydrophobicContact CD2-CB 4.11Å; L739-K749 WeakPolarHBondContact CD2-O 3.44Å; T747-K749 PolarHBondContact O-N 3.02Å; K749-S752 PolarHBondContact O-N 2.68Å; K749-A753 WeakPolarHBondContact O-CB 3.31Å; K749-A753 PolarHBondContact O-N 2.84Å
750V91.4Very high87.3Confident0 Ų020 Ų200%011%0.106CC..Hα-helixtrans-66.6-51.9-177.7175.50000110.3T705 L739 L744 T747 S748 S752 A753 I754 L798T705-V750 HydrophobicContact CG2-CG2 3.99Å; L739-V750 HydrophobicContact CD2-CG2 4.27Å; L744-V750 HydrophobicContact CD2-CG1 3.96Å; T747-V750 PolarHBondContact O-N 2.98Å; S748-V750 PolarHBondContact O-N 2.82Å; V750-S752 VanDerWaalsContact C-N 3.31Å; V750-S752 PolarHBondContact O-N 3.39Å; V750-A753 PolarHBondContact O-N 3.17Å; V750-I754 HydrophobicContact CG1-CD1 3.85Å; V750-I754 WeakPolarHBondContact O-CG1 3.2Å; V750-I754 PolarHBondContact O-N 2.74Å; V750-L798 HydrophobicContact CG1-CD2 4.13Å
751L91.3Very high87.3Confident0 Ų020 Ų200%011%0.106CC..Hα-helixtrans-65.4-32.3176.3-68.1179.1000112.7I145 Y149 I754 A755 L798 M836 V897 L900 L901I145-L751 HydrophobicContact CG2-CD1 4.27Å; Y149-L751 HydrophobicContact CD1-CD1 4.42Å; Y149-L751 HydrophobicContact CD2-CD1 4.41Å; Y149-L751 HydrophobicContact CE1-CB 4.42Å; Y149-L751 HydrophobicContact CE1-CD1 3.65Å; Y149-L751 HydrophobicContact CE1-CG 4.12Å; Y149-L751 HydrophobicContact CE2-CD1 3.76Å; Y149-L751 WeakPolarHBondContact OH-CD1 3.21Å; Y149-L751 WeakPolarHBondContact OH-CG 3.24Å; L751-I754 HydrophobicContact CD2-CD1 4.24Å; L751-I754 PolarHBondContact O-N 2.88Å; L751-A755 VanDerWaalsContact O-CB 3.26Å; L751-A755 WeakPolarHBondContact O-CB 3.46Å; L751-A755 PolarHBondContact O-N 2.98Å; L751-L798 HydrophobicContact CD2-CD2 3.63Å; L751-L798 HydrophobicContact CG-CD2 4.42Å; L751-M836 HydrophobicContact CB-CG 3.87Å; L751-M836 HydrophobicContact CB-SD 3.5Å; L751-M836 VanDerWaalsContact CB-SD 3.5Å; L751-M836 HydrophobicContact CD1-SD 3.64Å; L751-M836 HydrophobicContact CG-SD 4.17Å; L751-V897 HydrophobicContact CD1-CG1 4.3Å; L751-V897 HydrophobicContact CD1-CG2 3.84Å; L751-L900 HydrophobicContact CB-CD1 4.3Å; L751-L900 HydrophobicContact CD2-CD1 4.06Å; L751-L901 HydrophobicContact CD2-CD2 4.16Å
752S92.7Very high87.4Confident0 Ų022.4 Ų22.40%012%0.117CC..Hα-helixtrans-63.6-40.2172.6-62.70000112.5Y732 S748 K749 V750 K756 M836 N839Y732-S752 VanDerWaalsContact CG-CB 3.46Å; S748-S752 WeakPolarHBondContact O-CB 3.33Å; S748-S752 PolarHBondContact O-N 2.74Å; S748-S752 PolarHBondContact O-OG 3.16Å; K749-S752 PolarHBondContact O-N 2.68Å; V750-S752 VanDerWaalsContact C-N 3.31Å; V750-S752 PolarHBondContact O-N 3.39Å; S752-K756 VanDerWaalsContact O-CB 3.31Å; S752-K756 WeakPolarHBondContact O-CB 3.39Å; S752-K756 PolarHBondContact O-N 2.87Å; S752-K756 VanDerWaalsContact O-N 3.12Å; S752-M836 WeakPolarHBondContact OG-CA 3.23Å; S752-N839 PolarHBondContact OG-ND2 2.87Å
753A93.5Very high87.6Confident0 Ų021.5 Ų21.50%011%0.106CC..Hα-helixtrans-68.2-42.1175.600000112Y732 L739 K749 V750 K756 G757 C758 V760Y732-A753 HydrophobicContact CE2-CB 3.96Å; L739-A753 HydrophobicContact CB-CB 4.21Å; L739-A753 HydrophobicContact CD2-CB 3.73Å; K749-A753 WeakPolarHBondContact O-CB 3.31Å; K749-A753 PolarHBondContact O-N 2.84Å; V750-A753 PolarHBondContact O-N 3.17Å; A753-K756 CarbonylContact O-C 3.54Å; A753-K756 PolarHBondContact O-N 3.23Å; A753-G757 PolarHBondContact O-N 3.08Å; A753-C758 HydrophobicContact CB-CB 4.26Å; A753-C758 PolarHBondContact O-N 3.47Å; A753-V760 HydrophobicContact CB-CG2 3.53Å
754I93.1Very high88Confident0 Ų021 Ų210%010%0.102CC..Hα-helixtrans-60.4-52.3174.8-67.2167000110.2V750 L751 K756 G757 L798 A801 V802 W805 L900V750-I754 HydrophobicContact CG1-CD1 3.85Å; V750-I754 WeakPolarHBondContact O-CG1 3.2Å; V750-I754 PolarHBondContact O-N 2.74Å; L751-I754 HydrophobicContact CD2-CD1 4.24Å; L751-I754 PolarHBondContact O-N 2.88Å; I754-K756 PolarHBondContact O-N 2.91Å; I754-G757 PolarHBondContact O-N 2.86Å; I754-L798 HydrophobicContact CD1-CD2 3.79Å; I754-A801 HydrophobicContact CD1-CB 4.32Å; I754-A801 HydrophobicContact CG2-CB 4.05Å; I754-V802 HydrophobicContact CD1-CG2 3.94Å; I754-V802 HydrophobicContact CG1-CG2 3.72Å; I754-W805 HydrophobicContact CG2-CB 4.05Å; I754-W805 HydrophobicContact CG2-CG 3.86Å; I754-W805 VanDerWaalsContact O-CB 3.23Å; I754-W805 WeakPolarHBondContact O-CB 3.45Å; I754-L900 HydrophobicContact CG2-CD2 4.5Å
755A93.7Very high88.8Confident0 Ų020.8 Ų20.80%010%0.101CC..Hα-helixtrans-62.6-26.8-179.300000113.6L751 A816 F817 M836 L900L751-A755 VanDerWaalsContact O-CB 3.26Å; L751-A755 WeakPolarHBondContact O-CB 3.46Å; L751-A755 PolarHBondContact O-N 2.98Å; A755-A816 HydrophobicContact CB-CB 4.19Å; A755-A816 WeakPolarHBondContact O-CB 3.27Å; A755-A816 PolarHBondContact O-N 3.22Å; A755-F817 HydrophobicContact CB-CD2 4.24Å; A755-F817 HydrophobicContact CB-CE2 3.76Å; A755-M836 HydrophobicContact CB-CG 4.45Å; A755-L900 HydrophobicContact CB-CD1 4.16Å; A755-L900 HydrophobicContact CB-CD2 3.94Å
756K93.2Very high90Very high49 Ų4920.2 Ų20.221%0.21310%0.095CC..Hα-helixtrans-88.6-13.1174-169.3178.2167.4-161.50113.5Y732 P734 C736 S752 A753 I754 C758 V815Y732-K756 HydrophobicContact CE1-CD 4.32Å; P734-K756 PolarHBondContact O-NZ 2.82Å; C736-K756 PolarHBondContact O-NZ 2.86Å; S752-K756 VanDerWaalsContact O-CB 3.31Å; S752-K756 WeakPolarHBondContact O-CB 3.39Å; S752-K756 PolarHBondContact O-N 2.87Å; S752-K756 VanDerWaalsContact O-N 3.12Å; A753-K756 CarbonylContact O-C 3.54Å; A753-K756 PolarHBondContact O-N 3.23Å; I754-K756 PolarHBondContact O-N 2.91Å; K756-C758 VanDerWaalsContact CD-SG 3.6Å; K756-V815 HydrophobicContact CG-CG1 4.27Å
757G92.6Very high91.3Very high14 Ų1416.3 Ų16.314%0.1448%0.084CC..THydrogen-bonded Turntrans69.928.7-174.400000114.4A753 I754A753-G757 PolarHBondContact O-N 3.08Å; I754-G757 PolarHBondContact O-N 2.86Å
758C91.8Very high92.1Very high11 Ų1116.7 Ų16.77%0.0749%0.089CC..  trans-78.7157.6174.9-680000112.1Y732 C736 T737 A753 K756 V760Y732-C758 PolarHBondContact OH-SG 2.87Å; Y732-C758 VanDerWaalsContact OH-SG 3.42Å; C736-C758 PolarHBondContact O-SG 2.8Å; C736-C758 VanDerWaalsContact O-SG 3.36Å; T737-C758 WeakPolarHBondContact O-CB 3.31Å; A753-C758 HydrophobicContact CB-CB 4.26Å; A753-C758 PolarHBondContact O-N 3.47Å; K756-C758 VanDerWaalsContact CD-SG 3.6Å; C758-V760 PolarHBondContact O-N 3.08Å
759W93.3Very high92.5Very high42 Ų4216.1 Ų16.116%0.1599%0.085CC..EExtended strand (participates in β ladder)trans-59.7129.9170.1-67.7108.8000110.7T737 H738 L739 L761 E778 E779 E782 R806T737-W759 PolarHBondContact O-N 2.8Å; H738-W759 CarbonylContact C-O 3.59Å; H738-W759 AromaticContact CD2-CD1 3.47Å; H738-W759 VanDerWaalsContact CD2-CD1 3.47Å; H738-W759 AromaticContact CD2-CG 3.77Å; H738-W759 AromaticContact CE1-CD1 3.81Å; H738-W759 AromaticContact NE2-CD1 3.16Å; H738-W759 AromaticContact NE2-CG 3.91Å; H738-W759 AromaticContact NE2-NE1 3.72Å; L739-W759 PolarHBondContact N-O 3.42Å; W759-L761 HydrophobicContact CB-CD1 4.39Å; W759-L761 HydrophobicContact CB-CD2 4.04Å; W759-L761 HydrophobicContact CB-CG 4.06Å; W759-L761 HydrophobicContact CE3-CD2 3.98Å; W759-E778 HydrophobicContact CD2-CB 3.65Å; W759-E778 HydrophobicContact CD2-CG 4.14Å; W759-E778 HydrophobicContact CE3-CB 3.69Å; W759-E778 HydrophobicContact CG-CB 4.3Å; W759-E778 HydrophobicContact CG-CG 4.34Å; W759-E778 HydrophobicContact CH2-CB 3.83Å; W759-E778 HydrophobicContact CZ2-CB 3.78Å; W759-E778 HydrophobicContact CZ2-CG 4.44Å; W759-E778 HydrophobicContact CZ3-CB 3.78Å; W759-E779 HydrophobicContact CH2-CG 3.93Å; W759-E779 WeakPolarHBondContact CH2-OE1 3.41Å; W759-E779 HydrophobicContact CZ3-CG 4.33Å; W759-E782 HydrophobicContact CZ3-CB 4.46Å; W759-R806 VanDerWaalsContact CD2-CD 3.49Å; W759-R806 VanDerWaalsContact CH2-CZ 3.49Å; W759-R806 VanDerWaalsContact CZ3-CD 3.48Å; W759-R806 VanDerWaalsContact CZ3-CZ 3.46Å
760V93.4Very high92.6Very high0 Ų017.5 Ų17.50%09%0.093CC..EExtended strand (participates in β ladder)trans-118.8107169.3-172.60000107.9L739 A741 L744 A753 C758 W783 V802L739-V760 HydrophobicContact CB-CG2 4.43Å; L739-V760 HydrophobicContact CD2-CG1 4.32Å; L739-V760 HydrophobicContact CD2-CG2 4.41Å; L739-V760 CarbonylContact O-C 3.52Å; L739-V760 WeakPolarHBondContact O-CA 3.45Å; A741-V760 HydrophobicContact CB-CG1 4Å; L744-V760 HydrophobicContact CD2-CG1 3.98Å; A753-V760 HydrophobicContact CB-CG2 3.53Å; C758-V760 PolarHBondContact O-N 3.08Å; V760-W783 PolarHBondContact O-N 2.89Å; V760-W783 VanDerWaalsContact O-N 3.17Å; V760-V802 HydrophobicContact CB-CB 4.48Å; V760-V802 HydrophobicContact CB-CG1 3.77Å; V760-V802 HydrophobicContact CB-CG2 3.79Å; V760-V802 HydrophobicContact CG1-CG2 4.28Å; V760-V802 HydrophobicContact CG2-CG1 4.15Å; V760-V802 HydrophobicContact CG2-CG2 3.92Å
761L93.7Very high92.7Very high0 Ų023.6 Ų23.60%013%0.131CC..EExtended strand (participates in β ladder)trans-113.4146.8-165.7-52.8-177.8000111.7L739 I740 A741 W759 F765 E778 H781 E782 W783L739-L761 PolarHBondContact O-N 3.09Å; I740-L761 WeakPolarHBondContact CA-O 3.38Å; I740-L761 HydrophobicContact CD1-CB 3.96Å; I740-L761 HydrophobicContact CD1-CD1 4.43Å; A741-L761 PolarHBondContact N-O 2.74Å; W759-L761 HydrophobicContact CB-CD1 4.39Å; W759-L761 HydrophobicContact CB-CD2 4.04Å; W759-L761 HydrophobicContact CB-CG 4.06Å; W759-L761 HydrophobicContact CE3-CD2 3.98Å; L761-F765 HydrophobicContact CB-CB 4.15Å; L761-F765 HydrophobicContact CB-CG 4.49Å; L761-F765 HydrophobicContact CD1-CB 4.17Å; L761-F765 HydrophobicContact CD1-CD1 3.95Å; L761-F765 HydrophobicContact CD1-CD2 3.57Å; L761-F765 HydrophobicContact CD1-CE1 4.25Å; L761-F765 HydrophobicContact CD1-CE2 3.9Å; L761-F765 HydrophobicContact CD1-CG 3.61Å; L761-F765 HydrophobicContact CD1-CZ 4.23Å; L761-E778 HydrophobicContact CD1-CB 4.25Å; L761-E778 HydrophobicContact CD1-CG 4.12Å; L761-E778 HydrophobicContact CD2-CB 4.3Å; L761-E778 WeakPolarHBondContact CD2-O 3.43Å; L761-H781 CarbonylContact C-O 3.59Å; L761-H781 VanDerWaalsContact CA-O 3.29Å; L761-H781 WeakPolarHBondContact CA-O 3.39Å; L761-E782 HydrophobicContact CD2-CB 4.34Å; L761-W783 PolarHBondContact O-NE1 2.92Å
762H92.5Very high92.7Very high51 Ų5126.2 Ų26.224%0.23615%0.152CC..  trans-72.4151.4172.3-177.8-100.1000110.3S764 F765 H781 W783 V786H762-S764 VanDerWaalsContact ND1-CB 3.34Å; H762-S764 WeakPolarHBondContact ND1-CB 3.44Å; H762-S764 PolarHBondContact ND1-N 2.79Å; H762-S764 PolarHBondContact ND1-OG 3.37Å; H762-S764 PolarHBondContact O-N 3.47Å; H762-F765 WeakPolarHBondContact O-CB 3.41Å; H762-F765 PolarHBondContact O-N 3.47Å; H762-H781 PolarHBondContact N-O 3.33Å; H762-W783 HydrophobicContact CB-CD2 4.47Å; H762-W783 AromaticContact CD2-CE2 3.9Å; H762-W783 AromaticContact CD2-CH2 3.86Å; H762-W783 AromaticContact CD2-CZ2 3.59Å; H762-V786 HydrophobicContact CB-CG2 3.79Å
763P91.5Very high92.5Very high7 Ų730.6 Ų30.65%0.04518%0.176CC..THydrogen-bonded Turntrans-58.2-24.2-176.3-26.638000114.4I707 F715 I740 A741 F765 I766 E767I707-P763 HydrophobicContact CG2-CG 4.46Å; F715-P763 HydrophobicContact CE2-CB 3.97Å; F715-P763 HydrophobicContact CZ-CB 3.74Å; I740-P763 HydrophobicContact CG2-CB 4.42Å; I740-P763 HydrophobicContact CG2-CG 4.38Å; A741-P763 WeakPolarHBondContact O-CD 3.25Å; P763-F765 PolarHBondContact O-N 2.92Å; P763-F765 VanDerWaalsContact O-N 3.08Å; P763-I766 PolarHBondContact O-N 2.87Å; P763-E767 PolarHBondContact O-N 3.32Å
764S91.5Very high92.3Very high26 Ų2633.6 Ų33.618%0.18220%0.196CC..Hα-helixtrans-53.5-25172.1610000114.3H762 I766 E767 A768 H781H762-S764 VanDerWaalsContact ND1-CB 3.34Å; H762-S764 WeakPolarHBondContact ND1-CB 3.44Å; H762-S764 PolarHBondContact ND1-N 2.79Å; H762-S764 PolarHBondContact ND1-OG 3.37Å; H762-S764 PolarHBondContact O-N 3.47Å; S764-I766 VanDerWaalsContact C-N 3.32Å; S764-I766 PolarHBondContact O-N 3.26Å; S764-E767 WeakPolarHBondContact CA-OE2 3.5Å; S764-E767 PolarHBondContact O-N 2.96Å; S764-A768 VanDerWaalsContact O-CB 3.28Å; S764-A768 WeakPolarHBondContact O-CB 3.41Å; S764-A768 PolarHBondContact O-N 2.94Å; S764-H781 PolarHBondContact OG-ND1 3.45Å
765F93.8Very high92.1Very high0 Ų036.9 Ų36.90%021%0.213CC..Hα-helixtrans-57.2-46.2171.9179-94.3000111.6F702 I740 L761 H762 P763 C769 L775 V776 E778 H781F702-F765 HydrophobicContact CE1-CD1 4.02Å; F702-F765 AromaticContact CE1-CE1 3.54Å; F702-F765 HydrophobicContact CE1-CE1 3.54Å; F702-F765 HydrophobicContact CE1-CZ 4.38Å; F702-F765 HydrophobicContact CZ-CD1 4.48Å; F702-F765 AromaticContact CZ-CE1 3.57Å; F702-F765 HydrophobicContact CZ-CE1 3.57Å; F702-F765 HydrophobicContact CZ-CZ 4.1Å; I740-F765 HydrophobicContact CD1-CD1 4.11Å; L761-F765 HydrophobicContact CB-CB 4.15Å; L761-F765 HydrophobicContact CB-CG 4.49Å; L761-F765 HydrophobicContact CD1-CB 4.17Å; L761-F765 HydrophobicContact CD1-CD1 3.95Å; L761-F765 HydrophobicContact CD1-CD2 3.57Å; L761-F765 HydrophobicContact CD1-CE1 4.25Å; L761-F765 HydrophobicContact CD1-CE2 3.9Å; L761-F765 HydrophobicContact CD1-CG 3.61Å; L761-F765 HydrophobicContact CD1-CZ 4.23Å; H762-F765 WeakPolarHBondContact O-CB 3.41Å; H762-F765 PolarHBondContact O-N 3.47Å; P763-F765 PolarHBondContact O-N 2.92Å; P763-F765 VanDerWaalsContact O-N 3.08Å; F765-C769 VanDerWaalsContact CE1-SG 3.58Å; F765-C769 WeakPolarHBondContact O-CB 3.16Å; F765-C769 PolarHBondContact O-N 3.03Å; F765-C769 PolarHBondContact O-SG 3.39Å; F765-L775 HydrophobicContact CE1-CD2 4.14Å; F765-L775 HydrophobicContact CZ-CD2 4.08Å; F765-V776 HydrophobicContact CD2-CG2 3.99Å; F765-V776 HydrophobicContact CE2-CG2 3.94Å; F765-V776 WeakPolarHBondContact CE2-O 3.4Å; F765-E778 HydrophobicContact CE2-CB 4.4Å; F765-E778 HydrophobicContact CE2-CG 3.87Å; F765-E778 HydrophobicContact CZ-CG 4.24Å; F765-H781 HydrophobicContact CB-CB 3.71Å; F765-H781 HydrophobicContact CD2-CB 4.14Å; F765-H781 AromaticContact CD2-CD2 3.76Å; F765-H781 HydrophobicContact CG-CB 4.43Å
766I92.8Very high91.9Very high1 Ų138.6 Ų38.61%0.00522%0.224CC..Hα-helixtrans-72.3-34.3-179-54.3-68.8000110.7F715 V718 L719 I740 P763 S764 C769 D770F715-I766 HydrophobicContact CB-CG1 4.4Å; F715-I766 HydrophobicContact CB-CG2 3.88Å; F715-I766 HydrophobicContact CD1-CB 3.74Å; F715-I766 HydrophobicContact CD1-CG1 4.3Å; F715-I766 HydrophobicContact CD1-CG2 3.37Å; F715-I766 HydrophobicContact CD2-CG1 4.42Å; F715-I766 HydrophobicContact CE1-CB 4.1Å; F715-I766 HydrophobicContact CE1-CG2 4.14Å; F715-I766 HydrophobicContact CG-CB 4.08Å; F715-I766 HydrophobicContact CG-CG1 4.13Å; F715-I766 HydrophobicContact CG-CG2 3.78Å; V718-I766 HydrophobicContact CB-CG2 3.87Å; V718-I766 HydrophobicContact CG1-CG2 3.85Å; V718-I766 HydrophobicContact CG2-CG2 4.23Å; L719-I766 HydrophobicContact CD1-CD1 4.23Å; L719-I766 HydrophobicContact CD2-CD1 3.75Å; L719-I766 HydrophobicContact CG-CD1 4.06Å; I740-I766 HydrophobicContact CD1-CD1 3.98Å; I740-I766 HydrophobicContact CD1-CG1 3.99Å; I740-I766 HydrophobicContact CG1-CD1 4.02Å; I740-I766 HydrophobicContact CG1-CG1 3.95Å; I740-I766 HydrophobicContact CG2-CG1 4.47Å; P763-I766 PolarHBondContact O-N 2.87Å; S764-I766 VanDerWaalsContact C-N 3.32Å; S764-I766 PolarHBondContact O-N 3.26Å; I766-C769 PolarHBondContact O-N 2.69Å; I766-D770 WeakPolarHBondContact O-CB 3.36Å; I766-D770 PolarHBondContact O-N 2.69Å
767E92Very high91.7Very high91 Ų9138.7 Ų38.743%0.42523%0.234SC..Hα-helixtrans-68.6-38.3177.5-62.9159.9-173.900111.5F715 P763 S764 T771F715-E767 HydrophobicContact CE1-CG 4.42Å; P763-E767 PolarHBondContact O-N 3.32Å; S764-E767 WeakPolarHBondContact CA-OE2 3.5Å; S764-E767 PolarHBondContact O-N 2.96Å; E767-T771 WeakPolarHBondContact O-CB 3.37Å; E767-T771 PolarHBondContact O-N 3.24Å; E767-T771 PolarHBondContact O-OG1 3.01Å
768A92.2Very high91.7Very high26 Ų2640.3 Ų40.322%0.21524%0.237CC..Hα-helixtrans-68.6-43.5171.100000111.9S764 D770 T771 A772 V776 H781S764-A768 VanDerWaalsContact O-CB 3.28Å; S764-A768 WeakPolarHBondContact O-CB 3.41Å; S764-A768 PolarHBondContact O-N 2.94Å; A768-D770 VanDerWaalsContact C-N 3.3Å; A768-D770 PolarHBondContact O-N 3.36Å; A768-T771 PolarHBondContact O-N 3.22Å; A768-A772 WeakPolarHBondContact O-CB 3.4Å; A768-A772 PolarHBondContact O-N 3.41Å; A768-V776 HydrophobicContact CB-CG1 4.25Å; A768-V776 HydrophobicContact CB-CG2 3.91Å; A768-H781 WeakPolarHBondContact CB-NE2 3.48Å
769C92.7Very high91.5Very high0 Ų043.7 Ų43.70%025%0.252CS..Hα-helixtrans-60.1-36.9173.4-78.20000113.5L722 F765 I766 N773 C774 V776L722-C769 HydrophobicContact CD1-CB 3.85Å; F765-C769 VanDerWaalsContact CE1-SG 3.58Å; F765-C769 WeakPolarHBondContact O-CB 3.16Å; F765-C769 PolarHBondContact O-N 3.03Å; F765-C769 PolarHBondContact O-SG 3.39Å; I766-C769 PolarHBondContact O-N 2.69Å; C769-N773 VanDerWaalsContact O-CA 3.27Å; C769-N773 WeakPolarHBondContact O-CA 3.43Å; C769-N773 PolarHBondContact O-N 3.18Å; C769-C774 WeakPolarHBondContact CA-O 3.41Å; C769-C774 VanDerWaalsContact CB-O 3.31Å; C769-C774 WeakPolarHBondContact CB-O 3.39Å; C769-C774 PolarHBondContact O-N 2.8Å; C769-C774 PolarHBondContact SG-O 3.08Å; C769-C774 VanDerWaalsContact SG-O 3.35Å; C769-V776 PolarHBondContact SG-N 2.8Å
770D93Very high91.1Very high49 Ų4948.9 Ų48.926%0.26228%0.278SS..Hα-helixtrans-65.9-50.7174.6-166.45.2000110.7V718 R721 I766 A768 A772 N773V718-D770 HydrophobicContact CG1-CB 3.87Å; V718-D770 HydrophobicContact CG2-CB 3.81Å; V718-D770 WeakPolarHBondContact CG2-OD2 3.14Å; R721-D770 IonicContact CZ-OD1 3.68Å; R721-D770 IonicContact NH1-OD1 3.87Å; R721-D770 PolarHBondContact NH1-OD1 3.16Å; R721-D770 IonicContact NH2-OD1 3.92Å; R721-D770 PolarHBondContact NH2-OD1 3.43Å; R721-D770 IonicContact NH2-OD2 3.24Å; I766-D770 WeakPolarHBondContact O-CB 3.36Å; I766-D770 PolarHBondContact O-N 2.69Å; A768-D770 VanDerWaalsContact C-N 3.3Å; A768-D770 PolarHBondContact O-N 3.36Å; D770-A772 PolarHBondContact O-N 3.45Å; D770-N773 PolarHBondContact O-N 2.84Å; D770-N773 VanDerWaalsContact O-N 3.09Å
771T92.9Very high90.9Very high129 Ų12950.2 Ų50.279%0.79128%0.284SS*.Hα-helixtrans-61.4-40.5-179.3-55.90000112.6E767 A768E767-T771 WeakPolarHBondContact O-CB 3.37Å; E767-T771 PolarHBondContact O-N 3.24Å; E767-T771 PolarHBondContact O-OG1 3.01Å; A768-T771 PolarHBondContact O-N 3.22Å
772A91Very high90.7Very high54 Ų5450.2 Ų50.245%0.44628%0.284SS..Hα-helixtrans-82.6-14.6176.700000113.4A768 D770 C774 V776A768-A772 WeakPolarHBondContact O-CB 3.4Å; A768-A772 PolarHBondContact O-N 3.41Å; D770-A772 PolarHBondContact O-N 3.45Å; A772-C774 PolarHBondContact O-N 3.04Å; A772-V776 HydrophobicContact CB-CG1 3.84Å
773N88.5Confident90.2Very high93 Ų9348.3 Ų48.350%0.49728%0.275SS..THydrogen-bonded Turntrans50.137.2-171.6-16579000113.3R721 L722 C769 D770R721-N773 PolarHBondContact NH1-OD1 3.41Å; L722-N773 VanDerWaalsContact CD2-C 3.48Å; C769-N773 VanDerWaalsContact O-CA 3.27Å; C769-N773 WeakPolarHBondContact O-CA 3.43Å; C769-N773 PolarHBondContact O-N 3.18Å; D770-N773 PolarHBondContact O-N 2.84Å; D770-N773 VanDerWaalsContact O-N 3.09Å
774C89Confident89.3Confident62 Ų6249.7 Ų49.742%0.41929%0.285SS..SBendtrans-152.4176.3175.367.50000110C769 A772C769-C774 WeakPolarHBondContact CA-O 3.41Å; C769-C774 VanDerWaalsContact CB-O 3.31Å; C769-C774 WeakPolarHBondContact CB-O 3.39Å; C769-C774 PolarHBondContact O-N 2.8Å; C769-C774 PolarHBondContact SG-O 3.08Å; C769-C774 VanDerWaalsContact SG-O 3.35Å; A772-C774 PolarHBondContact O-N 3.04Å
775L88.2Confident88.2Confident69 Ų6952.8 Ų52.836%0.36130%0.299SS..PPolyproline II helixtrans-77.6123.9164.5-70.3178000109.1P700 F702 L722 V724 F765P700-L775 HydrophobicContact CG-CD1 4.07Å; F702-L775 HydrophobicContact CZ-CD2 4.47Å; L722-L775 HydrophobicContact CD1-CD2 4.48Å; V724-L775 HydrophobicContact CG2-CD1 4.05Å; V724-L775 HydrophobicContact CG2-CD2 4.14Å; V724-L775 HydrophobicContact CG2-CG 4.23Å; F765-L775 HydrophobicContact CE1-CD2 4.14Å; F765-L775 HydrophobicContact CZ-CD2 4.08Å
776V90.7Very high86.9Confident36 Ų3654.5 Ų54.522%0.21831%0.31CS..PPolyproline II helixtrans-86.4170.7171.9-57.50000109.9F765 A768 C769 A772F765-V776 HydrophobicContact CD2-CG2 3.99Å; F765-V776 HydrophobicContact CE2-CG2 3.94Å; F765-V776 WeakPolarHBondContact CE2-O 3.4Å; A768-V776 HydrophobicContact CB-CG1 4.25Å; A768-V776 HydrophobicContact CB-CG2 3.91Å; C769-V776 PolarHBondContact SG-N 2.8Å; A772-V776 HydrophobicContact CB-CG1 3.84Å
777A89.6Confident85.1Confident52 Ų5264 Ų6443%0.4335%0.354SS..PPolyproline II helixtrans-62.6135.3176.200000111.5
778E91.5Very high83.3Confident47 Ų4762.2 Ų62.222%0.2235%0.351CS..SBendtrans-71.6-29.1-177.5-66.285.8167.300113H738 W759 L761 F765 E780 H781 E782H738-E778 IonicContact NE2-OE1 3.02Å; H738-E778 PolarHBondContact NE2-OE1 3.37Å; W759-E778 HydrophobicContact CD2-CB 3.65Å; W759-E778 HydrophobicContact CD2-CG 4.14Å; W759-E778 HydrophobicContact CE3-CB 3.69Å; W759-E778 HydrophobicContact CG-CB 4.3Å; W759-E778 HydrophobicContact CG-CG 4.34Å; W759-E778 HydrophobicContact CH2-CB 3.83Å; W759-E778 HydrophobicContact CZ2-CB 3.78Å; W759-E778 HydrophobicContact CZ2-CG 4.44Å; W759-E778 HydrophobicContact CZ3-CB 3.78Å; L761-E778 HydrophobicContact CD1-CB 4.25Å; L761-E778 HydrophobicContact CD1-CG 4.12Å; L761-E778 HydrophobicContact CD2-CB 4.3Å; L761-E778 WeakPolarHBondContact CD2-O 3.43Å; F765-E778 HydrophobicContact CE2-CB 4.4Å; F765-E778 HydrophobicContact CE2-CG 3.87Å; F765-E778 HydrophobicContact CZ-CG 4.24Å; E778-E780 PolarHBondContact O-N 3.06Å; E778-H781 PolarHBondContact O-N 3.24Å; E778-E782 PolarHBondContact O-N 2.94Å; E778-E782 VanDerWaalsContact O-N 3.17Å
779E88.2Confident81.5Confident83 Ų8370.7 Ų70.739%0.38838%0.383SS..G310 helixtrans-59.8-43.1-174.4-73.580.8-178.600114W759 H781 E782 L785W759-E779 HydrophobicContact CH2-CG 3.93Å; W759-E779 WeakPolarHBondContact CH2-OE1 3.41Å; W759-E779 HydrophobicContact CZ3-CG 4.33Å; E779-H781 PolarHBondContact O-N 2.97Å; E779-H781 VanDerWaalsContact O-N 3.09Å; E779-E782 PolarHBondContact O-N 2.91Å; E779-L785 WeakPolarHBondContact O-CD1 3.29Å
780E84.8Confident79.9Confident150 Ų15073.3 Ų73.370%0.70140%0.396SS*.G310 helixtrans-68.3-9.4-176.4-61.1-171.4170.600113.1E778E778-E780 PolarHBondContact O-N 3.06Å
781H88.4Confident78.5Confident28 Ų2877 Ų7713%0.1342%0.416CS..G310 helixtrans-124.27.1-179.3-56.4-48.1000113L761 H762 S764 F765 A768 E778 E779 W783L761-H781 CarbonylContact C-O 3.59Å; L761-H781 VanDerWaalsContact CA-O 3.29Å; L761-H781 WeakPolarHBondContact CA-O 3.39Å; H762-H781 PolarHBondContact N-O 3.33Å; S764-H781 PolarHBondContact OG-ND1 3.45Å; F765-H781 HydrophobicContact CB-CB 3.71Å; F765-H781 HydrophobicContact CD2-CB 4.14Å; F765-H781 AromaticContact CD2-CD2 3.76Å; F765-H781 HydrophobicContact CG-CB 4.43Å; A768-H781 WeakPolarHBondContact CB-NE2 3.48Å; E778-H781 PolarHBondContact O-N 3.24Å; E779-H781 PolarHBondContact O-N 2.97Å; E779-H781 VanDerWaalsContact O-N 3.09Å; H781-W783 PolarHBondContact O-N 2.97Å
782E89Confident77.8Confident0 Ų073.2 Ų73.20%039%0.39CS..BIsolated β-bridgetrans-63.8126169.8-172.3172.8-146.400109.3W759 L761 E778 E779 S784 L785 V802 R803 R806W759-E782 HydrophobicContact CZ3-CB 4.46Å; L761-E782 HydrophobicContact CD2-CB 4.34Å; E778-E782 PolarHBondContact O-N 2.94Å; E778-E782 VanDerWaalsContact O-N 3.17Å; E779-E782 PolarHBondContact O-N 2.91Å; E782-S784 WeakPolarHBondContact CG-OG 3.47Å; E782-S784 PolarHBondContact O-N 3.42Å; E782-L785 PolarHBondContact O-N 2.93Å; E782-V802 HydrophobicContact CG-CG1 4.02Å; E782-R803 WeakPolarHBondContact OE1-CA 3.26Å; E782-R803 WeakPolarHBondContact OE2-CD 3.23Å; E782-R803 WeakPolarHBondContact OE2-CG 3.3Å; E782-R803 IonicContact OE2-CZ 2.58Å; E782-R803 IonicContact OE2-NE 3.86Å; E782-R803 IonicContact OE2-NH1 2.66Å; E782-R803 PolarHBondContact OE2-NH1 2.92Å; E782-R806 IonicContact OE1-CZ 3.56Å; E782-R806 IonicContact OE1-NE 3.28Å; E782-R806 PolarHBondContact OE1-NE 3.46Å; E782-R806 IonicContact OE1-NH2 3.66Å; E782-R806 PolarHBondContact OE1-NH2 3Å; E782-R806 IonicContact OE2-CZ 2.68Å; E782-R806 IonicContact OE2-NE 2.69Å; E782-R806 IonicContact OE2-NH2 2.69Å; E782-R806 PolarHBondContact OE2-NH2 2.88Å
783W83.6Confident77.3Confident11 Ų1173 Ų734%0.04238%0.381CS..THydrogen-bonded Turntrans-55-23.2-171.9-9895.8000114.8A741 L744 V760 L761 H762 H781 L785A741-W783 WeakPolarHBondContact O-CZ2 3.33Å; A741-W783 PolarHBondContact O-NE1 3.19Å; L744-W783 HydrophobicContact CD1-CB 3.63Å; L744-W783 HydrophobicContact CD1-CD2 3.97Å; L744-W783 HydrophobicContact CD1-CE3 3.92Å; L744-W783 HydrophobicContact CD1-CG 3.89Å; L744-W783 HydrophobicContact CD2-CB 4.36Å; L744-W783 HydrophobicContact CD2-CD2 4.25Å; L744-W783 HydrophobicContact CD2-CG 4.03Å; L744-W783 HydrophobicContact CG-CB 4.14Å; L744-W783 HydrophobicContact CG-CD2 3.65Å; L744-W783 HydrophobicContact CG-CE3 3.77Å; L744-W783 HydrophobicContact CG-CG 3.84Å; L744-W783 HydrophobicContact CG-CZ3 4.38Å; V760-W783 PolarHBondContact O-N 2.89Å; V760-W783 VanDerWaalsContact O-N 3.17Å; L761-W783 PolarHBondContact O-NE1 2.92Å; H762-W783 HydrophobicContact CB-CD2 4.47Å; H762-W783 AromaticContact CD2-CE2 3.9Å; H762-W783 AromaticContact CD2-CH2 3.86Å; H762-W783 AromaticContact CD2-CZ2 3.59Å; H781-W783 PolarHBondContact O-N 2.97Å; W783-L785 PolarHBondContact O-N 2.8Å
784S70.9Confident77Confident36 Ų3668.7 Ų68.725%0.25236%0.358SS..THydrogen-bonded Turntrans-67.2-15174.260.20000115.3E782 A799 R803E782-S784 WeakPolarHBondContact CG-OG 3.47Å; E782-S784 PolarHBondContact O-N 3.42Å; S784-A799 WeakPolarHBondContact CB-O 3.37Å; S784-R803 WeakPolarHBondContact OG-CB 3.49Å; S784-R803 VanDerWaalsContact OG-CD 3.26Å; S784-R803 WeakPolarHBondContact OG-CD 3.49Å
785L68.8Low76.6Confident92 Ų9265.9 Ų65.948%0.48234%0.34SS..THydrogen-bonded Turntrans-116.3-9.7-174.5-68.1175.8000113.3E779 E782 W783 E787E779-L785 WeakPolarHBondContact O-CD1 3.29Å; E782-L785 PolarHBondContact O-N 2.93Å; W783-L785 PolarHBondContact O-N 2.8Å; L785-E787 PolarHBondContact O-N 2.81Å
786V66.9Low76.4Confident36 Ų3670.2 Ų70.222%0.21835%0.351CS..SBendtrans-76.9121.1175.2178.70000109.2H762 S788H762-V786 HydrophobicContact CB-CG2 3.79Å; V786-S788 PolarHBondContact O-N 3.16Å; V786-S788 PolarHBondContact O-OG 2.92Å
787E55.1Low76.2Confident199 Ų19970 Ų7093%0.9335%0.349SS*.  trans-66.774.3179.2-67.3-167165.900112.4L785L785-E787 PolarHBondContact O-N 2.81Å
788S54.7Low76.2Confident54 Ų5467.6 Ų67.638%0.37833%0.329SS..  trans-92.2129.4177.849.50000110.3V786 E790V786-S788 PolarHBondContact O-N 3.16Å; V786-S788 PolarHBondContact O-OG 2.92Å; S788-E790 PolarHBondContact O-N 3.05Å
789K54Low76Confident204 Ų20466 Ų6689%0.88732%0.324SS*.  trans-82.254.4172.6-64.5-177-179.5179.10110.5D791K789-D791 PolarHBondContact O-N 3.45Å
790E58.7Low75.9Confident56 Ų5664.5 Ų64.526%0.26233%0.326SS..  trans-84.9102.6176.3-74.6-176.1151.500109.6S788 D792 A795 R796S788-E790 PolarHBondContact O-N 3.05Å; E790-D792 PolarHBondContact O-N 3.1Å; E790-A795 HydrophobicContact CB-CB 4.45Å; E790-A795 VanDerWaalsContact OE2-CB 3.28Å; E790-A795 WeakPolarHBondContact OE2-CB 3.37Å; E790-R796 VanDerWaalsContact O-CD 3.32Å; E790-R796 WeakPolarHBondContact O-CD 3.44Å
791D64.8Low76.2Confident127 Ų12757.4 Ų57.468%0.67929%0.293SS*.  trans-66.9-17.3174.3-65.8-46.3000112.6K789 I793K789-D791 PolarHBondContact O-N 3.45Å; D791-I793 PolarHBondContact O-N 3.17Å
792D77.2Confident76.4Confident48 Ų4856.1 Ų56.126%0.25729%0.287SS..  trans-69125.2178.817734.6000112.5A132 E790 G794 A795 R796A132-D792 HydrophobicContact CB-CB 4Å; E790-D792 PolarHBondContact O-N 3.1Å; D792-G794 VanDerWaalsContact C-N 3.29Å; D792-G794 VanDerWaalsContact CG-N 3.28Å; D792-G794 PolarHBondContact O-N 3.41Å; D792-G794 PolarHBondContact OD1-N 2.94Å; D792-G794 WeakPolarHBondContact OD2-CA 3.36Å; D792-G794 PolarHBondContact OD2-N 3.26Å; D792-A795 HydrophobicContact CB-CB 4.29Å; D792-A795 PolarHBondContact OD2-N 3.33Å; D792-R796 VanDerWaalsContact O-CG 3.32Å; D792-R796 WeakPolarHBondContact O-CG 3.19Å; D792-R796 PolarHBondContact O-N 3.44Å
793I81.5Confident76.4Confident50 Ų5059.9 Ų59.926%0.25630%0.301SS..Hα-helixtrans-66.3-32.5174.1-56.1-160000111.1A135 A141 D791 R796 L797A135-I793 VanDerWaalsContact O-CD1 3.28Å; A135-I793 WeakPolarHBondContact O-CD1 3.46Å; A141-I793 HydrophobicContact CB-CB 4.47Å; A141-I793 HydrophobicContact CB-CG2 4.24Å; D791-I793 PolarHBondContact O-N 3.17Å; I793-R796 PolarHBondContact O-N 2.98Å; I793-L797 HydrophobicContact CG2-CD1 3.97Å; I793-L797 HydrophobicContact CG2-CG 4.25Å; I793-L797 WeakPolarHBondContact O-CB 3.38Å; I793-L797 VanDerWaalsContact O-CG 3.27Å; I793-L797 WeakPolarHBondContact O-CG 3.36Å; I793-L797 PolarHBondContact O-N 3.4Å
794G81.1Confident76.8Confident2 Ų262.4 Ų62.42%0.02131%0.311CS..Hα-helixtrans-61.9-53.8178.600000113D792 R796 L797 L798D792-G794 VanDerWaalsContact C-N 3.29Å; D792-G794 VanDerWaalsContact CG-N 3.28Å; D792-G794 PolarHBondContact O-N 3.41Å; D792-G794 PolarHBondContact OD1-N 2.94Å; D792-G794 WeakPolarHBondContact OD2-CA 3.36Å; D792-G794 PolarHBondContact OD2-N 3.26Å; G794-R796 VanDerWaalsContact C-N 3.33Å; G794-R796 PolarHBondContact O-N 2.82Å; G794-L797 PolarHBondContact O-N 3.41Å; G794-L798 WeakPolarHBondContact O-CG 3.27Å; G794-L798 PolarHBondContact O-N 2.99Å
795A81.9Confident77.9Confident4 Ų461.3 Ų61.33%0.03330%0.301CS..Hα-helixtrans-60.2-40.9176.300000112.3L744 E790 D792 L797 L798 A799L744-A795 HydrophobicContact CB-CB 4.39Å; L744-A795 WeakPolarHBondContact O-CA 3.35Å; L744-A795 WeakPolarHBondContact O-CB 3.23Å; E790-A795 HydrophobicContact CB-CB 4.45Å; E790-A795 VanDerWaalsContact OE2-CB 3.28Å; E790-A795 WeakPolarHBondContact OE2-CB 3.37Å; D792-A795 HydrophobicContact CB-CB 4.29Å; D792-A795 PolarHBondContact OD2-N 3.33Å; A795-L797 PolarHBondContact O-N 3.34Å; A795-L798 WeakPolarHBondContact O-CB 3.48Å; A795-L798 PolarHBondContact O-N 2.82Å; A795-A799 WeakPolarHBondContact O-CB 3.45Å; A795-A799 PolarHBondContact O-N 2.84Å
796R83.1Confident79Confident159 Ų15957.6 Ų57.660%0.628%0.28SS*.Hα-helixtrans-63-39.3175.1-72173.159.4-170.7-1.3113.4E790 D792 I793 G794 A799 A800E790-R796 VanDerWaalsContact O-CD 3.32Å; E790-R796 WeakPolarHBondContact O-CD 3.44Å; D792-R796 VanDerWaalsContact O-CG 3.32Å; D792-R796 WeakPolarHBondContact O-CG 3.19Å; D792-R796 PolarHBondContact O-N 3.44Å; I793-R796 PolarHBondContact O-N 2.98Å; G794-R796 VanDerWaalsContact C-N 3.33Å; G794-R796 PolarHBondContact O-N 2.82Å; R796-A799 PolarHBondContact O-N 3.44Å; R796-A800 PolarHBondContact O-N 3.27Å; R796-A800 VanDerWaalsContact O-N 3.09Å
797L86.9Confident80.2Confident32 Ų3259.7 Ų59.717%0.16829%0.289CS..Hα-helixtrans-65.6-41.8173.6-74168000111.5P138 A141 I793 G794 A795 A800 A801 L901P138-L797 HydrophobicContact CB-CD1 4.06Å; A141-L797 HydrophobicContact CB-CD1 3.83Å; I793-L797 HydrophobicContact CG2-CD1 3.97Å; I793-L797 HydrophobicContact CG2-CG 4.25Å; I793-L797 WeakPolarHBondContact O-CB 3.38Å; I793-L797 VanDerWaalsContact O-CG 3.27Å; I793-L797 WeakPolarHBondContact O-CG 3.36Å; I793-L797 PolarHBondContact O-N 3.4Å; G794-L797 PolarHBondContact O-N 3.41Å; A795-L797 PolarHBondContact O-N 3.34Å; L797-A800 PolarHBondContact O-N 2.8Å; L797-A801 VanDerWaalsContact O-CB 3.3Å; L797-A801 WeakPolarHBondContact O-CB 3.27Å; L797-A801 PolarHBondContact O-N 3.14Å; L797-L901 HydrophobicContact CB-CD1 4.5Å
798L88.6Confident81.9Confident1 Ų155.5 Ų55.51%0.00527%0.265CS..Hα-helixtrans-62-45.1174.9-73.5162.6000111.5I145 L744 V750 L751 I754 G794 A795 A800 A801 V802 L901I145-L798 HydrophobicContact CD1-CD1 4.02Å; I145-L798 HydrophobicContact CD1-CG 4.14Å; L744-L798 HydrophobicContact CB-CB 4.24Å; L744-L798 HydrophobicContact CD1-CB 4.37Å; L744-L798 VanDerWaalsContact O-CD1 3.24Å; L744-L798 WeakPolarHBondContact O-CD1 3.23Å; V750-L798 HydrophobicContact CG1-CD2 4.13Å; L751-L798 HydrophobicContact CD2-CD2 3.63Å; L751-L798 HydrophobicContact CG-CD2 4.42Å; I754-L798 HydrophobicContact CD1-CD2 3.79Å; G794-L798 WeakPolarHBondContact O-CG 3.27Å; G794-L798 PolarHBondContact O-N 2.99Å; A795-L798 WeakPolarHBondContact O-CB 3.48Å; A795-L798 PolarHBondContact O-N 2.82Å; L798-A800 PolarHBondContact O-N 3.11Å; L798-A801 PolarHBondContact O-N 3.47Å; L798-A801 VanDerWaalsContact O-N 3.15Å; L798-V802 WeakPolarHBondContact O-CG2 3.33Å; L798-V802 PolarHBondContact O-N 3.05Å; L798-L901 HydrophobicContact CD2-CD1 4.3Å; L798-L901 HydrophobicContact CD2-CD2 3.9Å; L798-L901 HydrophobicContact CG-CD1 4.48Å; L798-L901 HydrophobicContact CG-CD2 4.44Å
799A87.7Confident83.6Confident14 Ų1454 Ų5412%0.11625%0.254CS..Hα-helixtrans-60.3-46.4178.200000111.7L744 S784 A795 R796 A801 V802L744-A799 HydrophobicContact CD1-CB 3.65Å; S784-A799 WeakPolarHBondContact CB-O 3.37Å; A795-A799 WeakPolarHBondContact O-CB 3.45Å; A795-A799 PolarHBondContact O-N 2.84Å; R796-A799 PolarHBondContact O-N 3.44Å; A799-A801 VanDerWaalsContact C-N 3.31Å; A799-A801 PolarHBondContact O-N 3.1Å; A799-V802 PolarHBondContact O-N 3.47Å
800A87Confident85.3Confident52 Ų5250.9 Ų50.943%0.4324%0.242SC..Hα-helixtrans-64-34.7175.100000112.7R796 L797 L798 R804R796-A800 PolarHBondContact O-N 3.27Å; R796-A800 VanDerWaalsContact O-N 3.09Å; L797-A800 PolarHBondContact O-N 2.8Å; L798-A800 PolarHBondContact O-N 3.11Å; A800-R804 VanDerWaalsContact O-CB 3.26Å; A800-R804 WeakPolarHBondContact O-CB 3.39Å; A800-R804 PolarHBondContact O-N 2.77Å
801A90.8Very high86.7Confident0 Ų052.1 Ų52.10%026%0.262CS..Hα-helixtrans-71.8-3717900000113.3I754 L797 L798 A799 R804 W805 L901I754-A801 HydrophobicContact CD1-CB 4.32Å; I754-A801 HydrophobicContact CG2-CB 4.05Å; L797-A801 VanDerWaalsContact O-CB 3.3Å; L797-A801 WeakPolarHBondContact O-CB 3.27Å; L797-A801 PolarHBondContact O-N 3.14Å; L798-A801 PolarHBondContact O-N 3.47Å; L798-A801 VanDerWaalsContact O-N 3.15Å; A799-A801 VanDerWaalsContact C-N 3.31Å; A799-A801 PolarHBondContact O-N 3.1Å; A801-R804 PolarHBondContact O-N 3.34Å; A801-W805 WeakPolarHBondContact O-CB 3.37Å; A801-W805 PolarHBondContact O-N 3.06Å; A801-L901 HydrophobicContact CB-CD2 3.5Å
802V91.9Very high87.9Confident1 Ų150.6 Ų50.61%0.00625%0.251CS..Hα-helixtrans-50.2-61.5176.5165.50000111.1I754 V760 E782 L798 A799 W805 R806I754-V802 HydrophobicContact CD1-CG2 3.94Å; I754-V802 HydrophobicContact CG1-CG2 3.72Å; V760-V802 HydrophobicContact CB-CB 4.48Å; V760-V802 HydrophobicContact CB-CG1 3.77Å; V760-V802 HydrophobicContact CB-CG2 3.79Å; V760-V802 HydrophobicContact CG1-CG2 4.28Å; V760-V802 HydrophobicContact CG2-CG1 4.15Å; V760-V802 HydrophobicContact CG2-CG2 3.92Å; E782-V802 HydrophobicContact CG-CG1 4.02Å; L798-V802 WeakPolarHBondContact O-CG2 3.33Å; L798-V802 PolarHBondContact O-N 3.05Å; A799-V802 PolarHBondContact O-N 3.47Å; V802-W805 PolarHBondContact O-N 3.05Å; V802-R806 WeakPolarHBondContact O-CB 3.42Å; V802-R806 PolarHBondContact O-N 2.89Å
803R90.1Very high88.5Confident80 Ų8053.5 Ų53.530%0.30228%0.275SS..Hα-helixtrans-69.8-37.5-175-176.5169.3177.9100.1-10112.5E782 S784 I807E782-R803 WeakPolarHBondContact OE1-CA 3.26Å; E782-R803 WeakPolarHBondContact OE2-CD 3.23Å; E782-R803 WeakPolarHBondContact OE2-CG 3.3Å; E782-R803 IonicContact OE2-CZ 2.58Å; E782-R803 IonicContact OE2-NE 3.86Å; E782-R803 IonicContact OE2-NH1 2.66Å; E782-R803 PolarHBondContact OE2-NH1 2.92Å; S784-R803 WeakPolarHBondContact OG-CB 3.49Å; S784-R803 VanDerWaalsContact OG-CD 3.26Å; S784-R803 WeakPolarHBondContact OG-CD 3.49Å; R803-I807 HydrophobicContact CG-CD1 3.7Å; R803-I807 HydrophobicContact CG-CG1 4.36Å; R803-I807 WeakPolarHBondContact O-CB 3.23Å; R803-I807 VanDerWaalsContact O-CG1 3.31Å; R803-I807 WeakPolarHBondContact O-CG1 3.34Å; R803-I807 PolarHBondContact O-N 3.32Å
804R91.2Very high88.9Confident64 Ų6453.7 Ų53.724%0.24228%0.278CS..Hα-helixtrans-57.6-49.7175.2179.1173.766.8-129.512.5111.2A800 A801 R808 L900 L901 D902A800-R804 VanDerWaalsContact O-CB 3.26Å; A800-R804 WeakPolarHBondContact O-CB 3.39Å; A800-R804 PolarHBondContact O-N 2.77Å; A801-R804 PolarHBondContact O-N 3.34Å; R804-R808 VanDerWaalsContact O-CB 3.26Å; R804-R808 WeakPolarHBondContact O-CB 3.27Å; R804-R808 PolarHBondContact O-N 2.94Å; R804-L900 PolarHBondContact NH2-O 3.4Å; R804-L901 PolarHBondContact NH2-O 2.81Å; R804-D902 PolarHBondContact NH2-O 2.9Å
805W93Very high89.4Confident12 Ų1255.2 Ų55.25%0.04529%0.287CS..Hα-helixtrans-73.6-41.2-179.3-79.4105000112.7I754 A801 V802 I807 R808 V809 A816 F899 L900I754-W805 HydrophobicContact CG2-CB 4.05Å; I754-W805 HydrophobicContact CG2-CG 3.86Å; I754-W805 VanDerWaalsContact O-CB 3.23Å; I754-W805 WeakPolarHBondContact O-CB 3.45Å; A801-W805 WeakPolarHBondContact O-CB 3.37Å; A801-W805 PolarHBondContact O-N 3.06Å; V802-W805 PolarHBondContact O-N 3.05Å; W805-I807 PolarHBondContact O-N 3.21Å; W805-R808 HydrophobicContact CE3-CB 4.45Å; W805-R808 PolarHBondContact O-N 3.31Å; W805-V809 HydrophobicContact CE3-CG2 4.42Å; W805-V809 VanDerWaalsContact O-CG2 3.3Å; W805-V809 WeakPolarHBondContact O-CG2 3.49Å; W805-V809 PolarHBondContact O-N 2.94Å; W805-A816 HydrophobicContact CD2-CB 4.16Å; W805-A816 HydrophobicContact CE3-CB 3.77Å; W805-A816 HydrophobicContact CH2-CB 3.59Å; W805-A816 HydrophobicContact CZ2-CB 3.97Å; W805-A816 VanDerWaalsContact CZ3-CA 3.46Å; W805-A816 HydrophobicContact CZ3-CB 3.48Å; W805-A816 VanDerWaalsContact CZ3-CB 3.48Å; W805-F899 HydrophobicContact CH2-CD1 4.38Å; W805-F899 AromaticContact CH2-CE1 3.52Å; W805-F899 HydrophobicContact CH2-CE1 3.52Å; W805-F899 AromaticContact CH2-CZ 3.92Å; W805-F899 HydrophobicContact CH2-CZ 3.92Å; W805-F899 HydrophobicContact CZ2-CD1 4.11Å; W805-F899 AromaticContact CZ2-CE1 3.7Å; W805-F899 HydrophobicContact CZ2-CE1 3.7Å; W805-F899 HydrophobicContact CZ2-CZ 4.31Å; W805-L900 HydrophobicContact CZ2-CD2 4.18Å; W805-L900 PolarHBondContact NE1-O 2.82Å
806R93.5Very high89.9Confident15 Ų1555.4 Ų55.46%0.05729%0.289CS..Hα-helixtrans-55.2-50.9174.9-176.1-169.85882.7-13111.9W759 E782 V802 R808 Q810W759-R806 VanDerWaalsContact CD2-CD 3.49Å; W759-R806 VanDerWaalsContact CH2-CZ 3.49Å; W759-R806 VanDerWaalsContact CZ3-CD 3.48Å; W759-R806 VanDerWaalsContact CZ3-CZ 3.46Å; E782-R806 IonicContact OE1-CZ 3.56Å; E782-R806 IonicContact OE1-NE 3.28Å; E782-R806 PolarHBondContact OE1-NE 3.46Å; E782-R806 IonicContact OE1-NH2 3.66Å; E782-R806 PolarHBondContact OE1-NH2 3Å; E782-R806 IonicContact OE2-CZ 2.68Å; E782-R806 IonicContact OE2-NE 2.69Å; E782-R806 IonicContact OE2-NH2 2.69Å; E782-R806 PolarHBondContact OE2-NH2 2.88Å; V802-R806 WeakPolarHBondContact O-CB 3.42Å; V802-R806 PolarHBondContact O-N 2.89Å; R806-R808 VanDerWaalsContact C-N 3.33Å; R806-R808 PolarHBondContact O-N 2.81Å; R806-Q810 VanDerWaalsContact O-CB 3.23Å; R806-Q810 WeakPolarHBondContact O-CB 3.44Å; R806-Q810 PolarHBondContact O-N 2.86Å
807I90.7Very high90.5Very high79 Ų7947.8 Ų47.841%0.40526%0.26SS..Hα-helixtrans-62.7-41.4178.3-65.9171.8000110.7R803 W805 Q810 A811R803-I807 HydrophobicContact CG-CD1 3.7Å; R803-I807 HydrophobicContact CG-CG1 4.36Å; R803-I807 WeakPolarHBondContact O-CB 3.23Å; R803-I807 VanDerWaalsContact O-CG1 3.31Å; R803-I807 WeakPolarHBondContact O-CG1 3.34Å; R803-I807 PolarHBondContact O-N 3.32Å; W805-I807 PolarHBondContact O-N 3.21Å; I807-Q810 PolarHBondContact O-N 2.92Å; I807-A811 WeakPolarHBondContact O-CB 3.48Å; I807-A811 PolarHBondContact O-N 3.49Å
808R91.9Very high90.7Very high112 Ų11251.8 Ų51.842%0.42328%0.278SS..Hα-helixtrans-63.6-50.2178.8-174176.8-176140.728.8112.6R804 W805 R806 Q810 A811 E812R804-R808 VanDerWaalsContact O-CB 3.26Å; R804-R808 WeakPolarHBondContact O-CB 3.27Å; R804-R808 PolarHBondContact O-N 2.94Å; W805-R808 HydrophobicContact CE3-CB 4.45Å; W805-R808 PolarHBondContact O-N 3.31Å; R806-R808 VanDerWaalsContact C-N 3.33Å; R806-R808 PolarHBondContact O-N 2.81Å; R808-Q810 VanDerWaalsContact C-N 3.27Å; R808-Q810 PolarHBondContact O-N 3.49Å; R808-A811 PolarHBondContact O-N 3.36Å; R808-E812 HydrophobicContact CG-CG 4.17Å; R808-E812 IonicContact CZ-OE1 2.86Å; R808-E812 VanDerWaalsContact CZ-OE1 3.29Å; R808-E812 IonicContact CZ-OE2 2.65Å; R808-E812 IonicContact NE-OE1 3.81Å; R808-E812 PolarHBondContact NE-OE1 2.97Å; R808-E812 VanDerWaalsContact NE-OE1 3.08Å; R808-E812 IonicContact NE-OE2 2.87Å; R808-E812 PolarHBondContact NE-OE2 3.04Å; R808-E812 IonicContact NH2-OE1 2.76Å; R808-E812 PolarHBondContact NH2-OE1 2.87Å; R808-E812 IonicContact NH2-OE2 3.78Å; R808-E812 PolarHBondContact NH2-OE2 3.16Å; R808-E812 WeakPolarHBondContact O-CB 3.4Å; R808-E812 PolarHBondContact O-N 3.17Å
809V91.1Very high90.8Very high23 Ų2354.5 Ų54.514%0.13931%0.306CS..Hα-helixtrans-63.1-37.1178.2-179.30000110.4W805 A811 S813 T814 V815W805-V809 HydrophobicContact CE3-CG2 4.42Å; W805-V809 VanDerWaalsContact O-CG2 3.3Å; W805-V809 WeakPolarHBondContact O-CG2 3.49Å; W805-V809 PolarHBondContact O-N 2.94Å; V809-A811 VanDerWaalsContact C-N 3.35Å; V809-A811 PolarHBondContact O-N 3.44Å; V809-S813 WeakPolarHBondContact O-CA 3.38Å; V809-S813 PolarHBondContact O-N 3.45Å; V809-T814 WeakPolarHBondContact CG2-O 3.27Å; V809-V815 HydrophobicContact CG1-CG1 4.28Å
810Q88.6Confident91.1Very high138 Ų13855.9 Ų55.965%0.64531%0.308SS*.Hα-helixtrans-65-34.6175.6-174.2175.28.700113R806 I807 R808R806-Q810 VanDerWaalsContact O-CB 3.23Å; R806-Q810 WeakPolarHBondContact O-CB 3.44Å; R806-Q810 PolarHBondContact O-N 2.86Å; I807-Q810 PolarHBondContact O-N 2.92Å; R808-Q810 VanDerWaalsContact C-N 3.27Å; R808-Q810 PolarHBondContact O-N 3.49Å
811A88.9Confident91.4Very high81 Ų8155.4 Ų55.467%0.66930%0.299SS*.Hα-helixtrans-86.7-41.7-179.500000113.7I807 R808 V809I807-A811 WeakPolarHBondContact O-CB 3.48Å; I807-A811 PolarHBondContact O-N 3.49Å; R808-A811 PolarHBondContact O-N 3.36Å; V809-A811 VanDerWaalsContact C-N 3.35Å; V809-A811 PolarHBondContact O-N 3.44Å
812E90.3Very high91.5Very high95 Ų9555.4 Ų55.444%0.44430%0.299SS..Hα-helixtrans-90.9-15.2-176.3-61.6-177.8173.600113R808 T814R808-E812 HydrophobicContact CG-CG 4.17Å; R808-E812 IonicContact CZ-OE1 2.86Å; R808-E812 VanDerWaalsContact CZ-OE1 3.29Å; R808-E812 IonicContact CZ-OE2 2.65Å; R808-E812 IonicContact NE-OE1 3.81Å; R808-E812 PolarHBondContact NE-OE1 2.97Å; R808-E812 VanDerWaalsContact NE-OE1 3.08Å; R808-E812 IonicContact NE-OE2 2.87Å; R808-E812 PolarHBondContact NE-OE2 3.04Å; R808-E812 IonicContact NH2-OE1 2.76Å; R808-E812 PolarHBondContact NH2-OE1 2.87Å; R808-E812 IonicContact NH2-OE2 3.78Å; R808-E812 PolarHBondContact NH2-OE2 3.16Å; R808-E812 WeakPolarHBondContact O-CB 3.4Å; R808-E812 PolarHBondContact O-N 3.17Å; E812-T814 WeakPolarHBondContact CB-OG1 3.21Å; E812-T814 PolarHBondContact O-N 3.33Å; E812-T814 PolarHBondContact OE2-OG1 2.66Å
813S88.7Confident91.4Very high109 Ų10955.4 Ų55.476%0.76230%0.298SS*.  trans56.919.6-170.5-60.80000114.8V809V809-S813 WeakPolarHBondContact O-CA 3.38Å; V809-S813 PolarHBondContact O-N 3.45Å
814T90.1Very high91.4Very high55 Ų5551.7 Ų51.734%0.33728%0.284SS..  trans-117.2131.7-178.445.50000110.9V809 E812V809-T814 WeakPolarHBondContact CG2-O 3.27Å; E812-T814 WeakPolarHBondContact CB-OG1 3.21Å; E812-T814 PolarHBondContact O-N 3.33Å; E812-T814 PolarHBondContact OE2-OG1 2.66Å
815V92.1Very high91.1Very high33 Ų3349.6 Ų49.620%0.228%0.278CS..  trans-78.5159171.2-70.80000111.5K756 V809 F817 Q818 G840K756-V815 HydrophobicContact CG-CG1 4.27Å; V809-V815 HydrophobicContact CG1-CG1 4.28Å; V815-F817 VanDerWaalsContact C-N 3.34Å; V815-F817 PolarHBondContact O-N 3.49Å; V815-F817 VanDerWaalsContact O-N 3.16Å; V815-Q818 HydrophobicContact CG2-CB 4.08Å; V815-Q818 WeakPolarHBondContact O-CB 3.34Å; V815-Q818 PolarHBondContact O-N 3.04Å; V815-G840 VanDerWaalsContact CG2-O 3.23Å; V815-G840 WeakPolarHBondContact CG2-O 3.13Å
816A92.6Very high90.4Very high8 Ų850.3 Ų50.37%0.06628%0.284CS..THydrogen-bonded Turntrans-56.5-40.3-161.800000115.3A755 W805 F899 L900A755-A816 HydrophobicContact CB-CB 4.19Å; A755-A816 WeakPolarHBondContact O-CB 3.27Å; A755-A816 PolarHBondContact O-N 3.22Å; W805-A816 HydrophobicContact CD2-CB 4.16Å; W805-A816 HydrophobicContact CE3-CB 3.77Å; W805-A816 HydrophobicContact CH2-CB 3.59Å; W805-A816 HydrophobicContact CZ2-CB 3.97Å; W805-A816 VanDerWaalsContact CZ3-CA 3.46Å; W805-A816 HydrophobicContact CZ3-CB 3.48Å; W805-A816 VanDerWaalsContact CZ3-CB 3.48Å; A816-F899 HydrophobicContact CB-CE1 4.33Å; A816-F899 VanDerWaalsContact O-CE1 3.23Å; A816-F899 WeakPolarHBondContact O-CE1 3.1Å; A816-L900 HydrophobicContact CB-CD2 3.66Å
817F94.2Very high89.1Confident0 Ų055 Ų550%031%0.306CS..THydrogen-bonded Turntrans-107.325.2-178.9-44.8-64.3000112.3A755 V815 G819 W820 M836 L837 G840 G841 A842 I896 F899 L900A755-F817 HydrophobicContact CB-CD2 4.24Å; A755-F817 HydrophobicContact CB-CE2 3.76Å; V815-F817 VanDerWaalsContact C-N 3.34Å; V815-F817 PolarHBondContact O-N 3.49Å; V815-F817 VanDerWaalsContact O-N 3.16Å; F817-G819 PolarHBondContact O-N 3.11Å; F817-G819 VanDerWaalsContact O-N 3.15Å; F817-W820 HydrophobicContact CB-CB 4.29Å; F817-W820 HydrophobicContact CB-CD2 4.01Å; F817-W820 HydrophobicContact CB-CE3 4.25Å; F817-W820 HydrophobicContact CB-CG 4.04Å; F817-W820 HydrophobicContact CD1-CD2 4.1Å; F817-W820 AromaticContact CD1-CE3 3.74Å; F817-W820 HydrophobicContact CD1-CE3 3.74Å; F817-W820 AromaticContact CD1-CH2 3.75Å; F817-W820 HydrophobicContact CD1-CH2 3.75Å; F817-W820 HydrophobicContact CD1-CZ2 4.13Å; F817-W820 AromaticContact CD1-CZ3 3.53Å; F817-W820 HydrophobicContact CD1-CZ3 3.53Å; F817-W820 HydrophobicContact CE1-CH2 4.16Å; F817-W820 AromaticContact CE1-CZ3 3.97Å; F817-W820 HydrophobicContact CE1-CZ3 3.97Å; F817-W820 HydrophobicContact CG-CE3 4.38Å; F817-W820 WeakPolarHBondContact O-CB 3.43Å; F817-W820 PolarHBondContact O-N 3.28Å; F817-M836 HydrophobicContact CE2-CG 4.27Å; F817-L837 HydrophobicContact CD1-CD2 4.5Å; F817-L837 HydrophobicContact CD2-CD2 3.88Å; F817-L837 HydrophobicContact CE1-CD2 4.4Å; F817-L837 HydrophobicContact CE2-CD2 3.8Å; F817-L837 HydrophobicContact CG-CD2 4.23Å; F817-L837 HydrophobicContact CZ-CD2 4.06Å; F817-G840 CarbonylContact C-O 3.52Å; F817-G840 VanDerWaalsContact C-O 3.26Å; F817-G840 VanDerWaalsContact CA-O 3.26Å; F817-G840 WeakPolarHBondContact CA-O 3.42Å; F817-G840 WeakPolarHBondContact CB-O 3.24Å; F817-G840 PolarHBondContact N-O 3.14Å; F817-G841 CarbonylContact O-C 3.5Å; F817-A842 HydrophobicContact CB-CB 3.75Å; F817-A842 PolarHBondContact O-N 3.45Å; F817-I896 HydrophobicContact CE1-CG2 4.03Å; F817-I896 HydrophobicContact CE2-CG2 4.49Å; F817-I896 HydrophobicContact CZ-CG2 3.7Å; F817-F899 AromaticContact CD1-CD1 3.99Å; F817-F899 HydrophobicContact CD1-CD1 3.99Å; F817-F899 HydrophobicContact CD1-CE1 4.19Å; F817-F899 AromaticContact CE1-CD1 3.68Å; F817-F899 HydrophobicContact CE1-CD1 3.68Å; F817-F899 HydrophobicContact CE1-CE1 4.3Å; F817-L900 HydrophobicContact CE1-CD2 4.2Å; F817-L900 HydrophobicContact CE1-CG 4.26Å; F817-L900 HydrophobicContact CE2-CD1 4.27Å; F817-L900 HydrophobicContact CE2-CD2 4.28Å; F817-L900 HydrophobicContact CE2-CG 4.48Å; F817-L900 HydrophobicContact CZ-CD1 3.78Å; F817-L900 HydrophobicContact CZ-CD2 3.75Å; F817-L900 HydrophobicContact CZ-CG 3.67Å
818Q92.2Very high88.1Confident115 Ų11557.6 Ų57.654%0.53732%0.315SS..THydrogen-bonded Turntrans-53.2120.3-176.4179.457.930.100111.4V815 W820 G840V815-Q818 HydrophobicContact CG2-CB 4.08Å; V815-Q818 WeakPolarHBondContact O-CB 3.34Å; V815-Q818 PolarHBondContact O-N 3.04Å; Q818-W820 VanDerWaalsContact C-N 3.31Å; Q818-W820 PolarHBondContact O-N 3.29Å; Q818-G840 PolarHBondContact N-O 3.15Å
819G90.4Very high87Confident58 Ų5859.5 Ų59.560%0.59833%0.326SS*.THydrogen-bonded Turntrans786.6178.800000115.4F817 G841F817-G819 PolarHBondContact O-N 3.11Å; F817-G819 VanDerWaalsContact O-N 3.15Å; G819-G841 PolarHBondContact N-O 3.27Å
820W93.8Very high86.4Confident44 Ų4459.3 Ų59.317%0.16732%0.323CS..  trans-75.2128.1176.2-69.228.1000111.2F817 Q818 I822 A842 T843 L856 Y895 F899F817-W820 HydrophobicContact CB-CB 4.29Å; F817-W820 HydrophobicContact CB-CD2 4.01Å; F817-W820 HydrophobicContact CB-CE3 4.25Å; F817-W820 HydrophobicContact CB-CG 4.04Å; F817-W820 HydrophobicContact CD1-CD2 4.1Å; F817-W820 AromaticContact CD1-CE3 3.74Å; F817-W820 HydrophobicContact CD1-CE3 3.74Å; F817-W820 AromaticContact CD1-CH2 3.75Å; F817-W820 HydrophobicContact CD1-CH2 3.75Å; F817-W820 HydrophobicContact CD1-CZ2 4.13Å; F817-W820 AromaticContact CD1-CZ3 3.53Å; F817-W820 HydrophobicContact CD1-CZ3 3.53Å; F817-W820 HydrophobicContact CE1-CH2 4.16Å; F817-W820 AromaticContact CE1-CZ3 3.97Å; F817-W820 HydrophobicContact CE1-CZ3 3.97Å; F817-W820 HydrophobicContact CG-CE3 4.38Å; F817-W820 WeakPolarHBondContact O-CB 3.43Å; F817-W820 PolarHBondContact O-N 3.28Å; Q818-W820 VanDerWaalsContact C-N 3.31Å; Q818-W820 PolarHBondContact O-N 3.29Å; W820-I822 HydrophobicContact CB-CD1 4.1Å; W820-I822 HydrophobicContact CB-CG1 3.93Å; W820-I822 HydrophobicContact CE3-CD1 3.81Å; W820-I822 HydrophobicContact CE3-CG1 4.24Å; W820-A842 HydrophobicContact CB-CB 4.01Å; W820-A842 CarbonylContact O-C 3.59Å; W820-A842 WeakPolarHBondContact O-CA 3.23Å; W820-T843 PolarHBondContact O-N 2.79Å; W820-L856 HydrophobicContact CE3-CD1 4.37Å; W820-L856 HydrophobicContact CZ3-CD1 4.35Å; W820-Y895 HydrophobicContact CH2-CD1 4.48Å; W820-Y895 AromaticContact CH2-CE1 3.55Å; W820-Y895 HydrophobicContact CH2-CE1 3.55Å; W820-Y895 HydrophobicContact CZ3-CD1 4.22Å; W820-Y895 AromaticContact CZ3-CE1 3.55Å; W820-Y895 HydrophobicContact CZ3-CE1 3.55Å; W820-F899 HydrophobicContact CH2-CB 4.19Å; W820-F899 AromaticContact CH2-CD1 3.68Å; W820-F899 HydrophobicContact CH2-CD1 3.68Å; W820-F899 AromaticContact CH2-CD2 3.77Å; W820-F899 HydrophobicContact CH2-CD2 3.77Å; W820-F899 AromaticContact CH2-CE1 3.94Å; W820-F899 HydrophobicContact CH2-CE1 3.94Å; W820-F899 HydrophobicContact CH2-CE2 4.03Å; W820-F899 AromaticContact CH2-CG 3.59Å; W820-F899 HydrophobicContact CH2-CG 3.59Å; W820-F899 HydrophobicContact CH2-CZ 4.11Å; W820-F899 AromaticContact CZ2-CD1 3.98Å; W820-F899 HydrophobicContact CZ2-CD1 3.98Å; W820-F899 AromaticContact CZ2-CD2 3.94Å; W820-F899 HydrophobicContact CZ2-CD2 3.94Å; W820-F899 AromaticContact CZ2-CE1 3.73Å; W820-F899 HydrophobicContact CZ2-CE1 3.73Å; W820-F899 AromaticContact CZ2-CE2 3.69Å; W820-F899 HydrophobicContact CZ2-CE2 3.69Å; W820-F899 HydrophobicContact CZ2-CG 4.08Å; W820-F899 AromaticContact CZ2-CZ 3.58Å; W820-F899 HydrophobicContact CZ2-CZ 3.58Å
821N93.3Very high86.1Confident42 Ų4257.8 Ų57.823%0.22532%0.315CS..EExtended strand (participates in β ladder)trans-98.5106.7168-69.6-36.5000108.9F845 D854 Y855 L856N821-F845 HydrophobicContact CB-CE2 4.16Å; N821-D854 PolarHBondContact ND2-OD2 3.15Å; N821-Y855 HydrophobicContact CB-CD1 3.26Å; N821-Y855 HydrophobicContact CB-CD2 4.32Å; N821-Y855 HydrophobicContact CB-CE1 3.42Å; N821-Y855 VanDerWaalsContact CB-CE1 3.42Å; N821-Y855 HydrophobicContact CB-CE2 4.43Å; N821-Y855 HydrophobicContact CB-CG 3.76Å; N821-Y855 WeakPolarHBondContact ND2-CE1 3.31Å; N821-Y855 WeakPolarHBondContact O-CA 3.46Å; N821-L856 PolarHBondContact O-N 3.17Å
822I92.5Very high85.8Confident0 Ų054.2 Ų54.20%029%0.286CS..EExtended strand (participates in β ladder)trans-111.4124-169.5-55.3173.6000110.8W820 L837 A842 T843 V844 F845 L856 A858W820-I822 HydrophobicContact CB-CD1 4.1Å; W820-I822 HydrophobicContact CB-CG1 3.93Å; W820-I822 HydrophobicContact CE3-CD1 3.81Å; W820-I822 HydrophobicContact CE3-CG1 4.24Å; I822-L837 HydrophobicContact CD1-CD1 3.9Å; I822-L837 HydrophobicContact CD1-CD2 3.35Å; I822-L837 HydrophobicContact CD1-CG 4.12Å; I822-L837 HydrophobicContact CG2-CD1 4.2Å; I822-A842 HydrophobicContact CD1-CB 3.53Å; I822-A842 HydrophobicContact CG1-CB 4.18Å; I822-T843 PolarHBondContact N-O 3.17Å; I822-V844 WeakPolarHBondContact O-CA 3.43Å; I822-F845 PolarHBondContact O-N 3.17Å; I822-L856 CarbonylContact C-O 3.28Å; I822-L856 VanDerWaalsContact CA-O 3.28Å; I822-L856 WeakPolarHBondContact CA-O 3.31Å; I822-A858 HydrophobicContact CG2-CB 4.43Å
823L90.5Very high85.7Confident0 Ų049.7 Ų49.70%027%0.265CS..EExtended strand (participates in β ladder)trans-95.5103.6170179.961.9000109L825 F845 D847 L848 A851 L856 A857 A858 L883L823-L825 HydrophobicContact CD1-CD2 4.16Å; L823-L825 HydrophobicContact CD2-CD1 4.25Å; L823-L825 HydrophobicContact CD2-CD2 4.48Å; L823-L825 HydrophobicContact CG-CD1 4.27Å; L823-L825 HydrophobicContact CG-CD2 4.01Å; L823-L825 HydrophobicContact CG-CG 4.05Å; L823-F845 HydrophobicContact CD1-CB 4.13Å; L823-D847 WeakPolarHBondContact CD1-O 3.28Å; L823-L848 HydrophobicContact CD2-CD2 4.39Å; L823-A851 HydrophobicContact CD2-CB 3.91Å; L823-L856 PolarHBondContact N-O 3.27Å; L823-A857 HydrophobicContact CB-CB 4.34Å; L823-A857 HydrophobicContact CD2-CB 4.49Å; L823-A857 WeakPolarHBondContact O-CA 3.14Å; L823-A858 PolarHBondContact O-N 2.72Å; L823-L883 HydrophobicContact CD2-CD1 4.08Å; L823-L883 HydrophobicContact CD2-CD2 3.79Å
824L89.2Confident85.8Confident2 Ų245.2 Ų45.21%0.0123%0.233CC..EExtended strand (participates in β ladder)trans-93.6107.3-173.6-176.262.5000111T826 I833 V834 V844 F845 F846 A858 L893 I896L824-T826 HydrophobicContact CD1-CG2 3.75Å; L824-T826 HydrophobicContact CG-CG2 3.92Å; L824-I833 HydrophobicContact CD1-CG2 4.43Å; L824-I833 HydrophobicContact CD2-CG2 4.17Å; L824-V834 HydrophobicContact CD2-CG2 3.66Å; L824-V844 HydrophobicContact CB-CG1 4Å; L824-V844 HydrophobicContact CD2-CG1 4.32Å; L824-F845 PolarHBondContact N-O 3.28Å; L824-F846 HydrophobicContact CD2-CE1 4.26Å; L824-A858 HydrophobicContact CD1-CB 4.21Å; L824-L893 HydrophobicContact CD1-CD1 3.59Å; L824-I896 HydrophobicContact CD1-CD1 4.29Å
825L85.3Confident85.7Confident20 Ų2043.8 Ų43.811%0.10522%0.222CC..EExtended strand (participates in β ladder)trans-108.293.5-172.8-61.4176.4000110L823 L848 A858 I859 D860 L883L823-L825 HydrophobicContact CD1-CD2 4.16Å; L823-L825 HydrophobicContact CD2-CD1 4.25Å; L823-L825 HydrophobicContact CD2-CD2 4.48Å; L823-L825 HydrophobicContact CG-CD1 4.27Å; L823-L825 HydrophobicContact CG-CD2 4.01Å; L823-L825 HydrophobicContact CG-CG 4.05Å; L825-L848 HydrophobicContact CD1-CD2 4Å; L825-L848 HydrophobicContact CD2-CD2 4.04Å; L825-A858 PolarHBondContact N-O 2.9Å; L825-I859 HydrophobicContact CB-CG1 3.93Å; L825-I859 HydrophobicContact CD1-CD1 4.26Å; L825-I859 HydrophobicContact CD1-CG1 3.81Å; L825-I859 HydrophobicContact CG-CG1 4.39Å; L825-D860 PolarHBondContact O-N 3.26Å; L825-L883 HydrophobicContact CD1-CD1 3.56Å
826T78.8Confident85.7Confident27 Ų2742.3 Ų42.317%0.16621%0.213CC..  trans-138.3150.4-168.848.80000109.9L824 K828 Q830 D860 L893L824-T826 HydrophobicContact CD1-CG2 3.75Å; L824-T826 HydrophobicContact CG-CG2 3.92Å; T826-K828 VanDerWaalsContact C-N 3.32Å; T826-K828 WeakPolarHBondContact CB-O 3.34Å; T826-K828 PolarHBondContact O-N 3.07Å; T826-K828 PolarHBondContact OG1-O 3.33Å; T826-K828 VanDerWaalsContact OG1-O 3.06Å; T826-Q830 VanDerWaalsContact CG2-OE1 3.26Å; T826-D860 HydrophobicContact CG2-CB 4.01Å; T826-L893 HydrophobicContact CG2-CD1 4.15Å; T826-L893 HydrophobicContact CG2-CD2 4.38Å
827Q66Low85.7Confident114 Ų11441.9 Ų41.953%0.53321%0.21SC..SBendtrans-65.2-33.8-177.4-66.2-161.23.100114.1S863 C865Q827-S863 WeakPolarHBondContact CG-OG 3.45Å; Q827-S863 VanDerWaalsContact NE2-CB 3.31Å; Q827-S863 PolarHBondContact NE2-OG 2.77Å; Q827-C865 WeakPolarHBondContact CG-SG 3.44Å; Q827-C865 PolarHBondContact NE2-SG 3.16Å; Q827-C865 VanDerWaalsContact NE2-SG 3.4Å
828K68.9Low85.6Confident134 Ų13448.7 Ų48.758%0.58324%0.235SC*.SBendtrans-124.4148.1174.7-67.2176.6-179.6168.60107.5E154 T826 Q830E154-K828 IonicContact OE1-NZ 3.29Å; E154-K828 PolarHBondContact OE1-NZ 3.01Å; T826-K828 VanDerWaalsContact C-N 3.32Å; T826-K828 WeakPolarHBondContact CB-O 3.34Å; T826-K828 PolarHBondContact O-N 3.07Å; T826-K828 PolarHBondContact OG1-O 3.33Å; T826-K828 VanDerWaalsContact OG1-O 3.06Å; K828-Q830 VanDerWaalsContact C-N 3.33Å; K828-Q830 PolarHBondContact O-N 3.32Å
829K69.6Low85.6Confident151 Ų15144.3 Ų44.366%0.65722%0.216SC*.  trans-66.891.1172.5-69-177176.6-179.60110K831 F846K829-K831 PolarHBondContact O-N 2.83Å; K829-F846 HydrophobicContact CB-CE1 4.5Å; K829-F846 HydrophobicContact CD-CE1 4.48Å; K829-F846 HydrophobicContact CG-CD1 4.24Å; K829-F846 HydrophobicContact CG-CE1 4.11Å
830Q77.6Confident85.7Confident19 Ų1941.6 Ų41.69%0.08919%0.187CC..  trans-64.495.6179-71.8165-1800110.1D153 T826 K828 G832 I833 V834D153-Q830 WeakPolarHBondContact OD2-CA 3.34Å; T826-Q830 VanDerWaalsContact CG2-OE1 3.26Å; K828-Q830 VanDerWaalsContact C-N 3.33Å; K828-Q830 PolarHBondContact O-N 3.32Å; Q830-G832 VanDerWaalsContact C-N 3.29Å; Q830-G832 PolarHBondContact O-N 2.84Å; Q830-I833 HydrophobicContact CB-CB 4.29Å; Q830-I833 HydrophobicContact CB-CD1 4.5Å; Q830-I833 HydrophobicContact CB-CG1 4.3Å; Q830-I833 PolarHBondContact O-N 2.88Å; Q830-V834 VanDerWaalsContact O-CG2 3.31Å; Q830-V834 WeakPolarHBondContact O-CG2 3.29Å; Q830-V834 PolarHBondContact O-N 3.24Å; Q830-V834 VanDerWaalsContact O-N 3.1Å
831K82.5Confident85.6Confident106 Ų10640.7 Ų40.746%0.46119%0.192SC..Hα-helixtrans-60-41.3-172.6-173.6-163.6167.3-1550111D153 K829 I833 V834 E835D153-K831 WeakPolarHBondContact OD1-CB 3.25Å; D153-K831 PolarHBondContact OD2-N 2.75Å; K829-K831 PolarHBondContact O-N 2.83Å; K831-I833 VanDerWaalsContact C-N 3.35Å; K831-I833 PolarHBondContact O-N 3.46Å; K831-V834 PolarHBondContact O-N 3.02Å; K831-E835 WeakPolarHBondContact O-CB 3.24Å; K831-E835 PolarHBondContact O-N 2.68Å
832G83.4Confident85.6Confident6 Ų639 Ų396%0.06218%0.184CC..Hα-helixtrans-61.7-38.3-179.800000113.6Q830 M836Q830-G832 VanDerWaalsContact C-N 3.29Å; Q830-G832 PolarHBondContact O-N 2.84Å; G832-M836 WeakPolarHBondContact O-CB 3.45Å; G832-M836 PolarHBondContact O-N 2.87Å
833I88.2Confident85.6Confident1 Ų142.6 Ų42.61%0.00521%0.206CC..Hα-helixtrans-73-44.4176-61.3-167.8000110.4L146 L824 Q830 K831 E835 M836 L837 L893 I896L146-I833 HydrophobicContact CD2-CD1 3.39Å; L146-I833 HydrophobicContact CD2-CG1 4.34Å; L824-I833 HydrophobicContact CD1-CG2 4.43Å; L824-I833 HydrophobicContact CD2-CG2 4.17Å; Q830-I833 HydrophobicContact CB-CB 4.29Å; Q830-I833 HydrophobicContact CB-CD1 4.5Å; Q830-I833 HydrophobicContact CB-CG1 4.3Å; Q830-I833 PolarHBondContact O-N 2.88Å; K831-I833 VanDerWaalsContact C-N 3.35Å; K831-I833 PolarHBondContact O-N 3.46Å; I833-E835 VanDerWaalsContact C-N 3.26Å; I833-E835 PolarHBondContact O-N 2.98Å; I833-M836 HydrophobicContact CB-CE 4.46Å; I833-M836 HydrophobicContact CG2-CE 3.94Å; I833-M836 PolarHBondContact O-N 3.36Å; I833-L837 HydrophobicContact CG2-CD1 3.91Å; I833-L837 HydrophobicContact CG2-CG 4.15Å; I833-L837 WeakPolarHBondContact O-CB 3.46Å; I833-L837 VanDerWaalsContact O-CG 3.25Å; I833-L837 WeakPolarHBondContact O-CG 3.28Å; I833-L837 PolarHBondContact O-N 2.83Å; I833-L893 HydrophobicContact CD1-CD1 4.12Å; I833-L893 HydrophobicContact CD1-CD2 4.17Å; I833-L893 HydrophobicContact CD1-CG 4.3Å; I833-I896 HydrophobicContact CG2-CD1 4.01Å
834V90.3Very high85.7Confident15 Ų1543 Ų439%0.09121%0.209CC..Hα-helixtrans-61.1-36.2177.4176.90000111.7L824 Q830 K831 R838 V844 F846L824-V834 HydrophobicContact CD2-CG2 3.66Å; Q830-V834 VanDerWaalsContact O-CG2 3.31Å; Q830-V834 WeakPolarHBondContact O-CG2 3.29Å; Q830-V834 PolarHBondContact O-N 3.24Å; Q830-V834 VanDerWaalsContact O-N 3.1Å; K831-V834 PolarHBondContact O-N 3.02Å; V834-R838 WeakPolarHBondContact O-CB 3.34Å; V834-R838 WeakPolarHBondContact O-CD 3.45Å; V834-R838 VanDerWaalsContact O-CG 3.23Å; V834-R838 WeakPolarHBondContact O-CG 3.36Å; V834-R838 PolarHBondContact O-N 3.15Å; V834-V844 HydrophobicContact CG2-CG1 4.35Å; V834-F846 HydrophobicContact CG1-CZ 4.1Å; V834-F846 HydrophobicContact CG2-CE1 3.74Å; V834-F846 HydrophobicContact CG2-CZ 3.56Å
835E87.8Confident85.8Confident25 Ų2545 Ų4512%0.11722%0.217CC..Hα-helixtrans-65.4-56.4173.9178.8171.8-107.300111S731 Y732 S748 K831 I833 L837 R838 N839S731-E835 WeakPolarHBondContact CA-OE1 3.36Å; S731-E835 WeakPolarHBondContact CB-OE1 3.33Å; Y732-E835 PolarHBondContact N-OE1 3.3Å; S748-E835 WeakPolarHBondContact CB-OE2 3.26Å; S748-E835 PolarHBondContact OG-OE2 3.08Å; K831-E835 WeakPolarHBondContact O-CB 3.24Å; K831-E835 PolarHBondContact O-N 2.68Å; I833-E835 VanDerWaalsContact C-N 3.26Å; I833-E835 PolarHBondContact O-N 2.98Å; E835-L837 PolarHBondContact O-N 3.48Å; E835-R838 PolarHBondContact O-N 3.5Å; E835-N839 WeakPolarHBondContact CG-ND2 3.34Å; E835-N839 WeakPolarHBondContact O-CB 3.5Å; E835-N839 VanDerWaalsContact O-CG 3.27Å; E835-N839 PolarHBondContact O-N 2.78Å; E835-N839 PolarHBondContact O-ND2 2.71Å
836M91.6Very high85.8Confident1 Ų147.4 Ų47.41%0.00523%0.227CC..Hα-helixtrans-52.7-49.1176.5172.3-165.670.500112.7L751 S752 A755 F817 G832 I833 R838 N839 G840 I896 V897 L900L751-M836 HydrophobicContact CB-CG 3.87Å; L751-M836 HydrophobicContact CB-SD 3.5Å; L751-M836 VanDerWaalsContact CB-SD 3.5Å; L751-M836 HydrophobicContact CD1-SD 3.64Å; L751-M836 HydrophobicContact CG-SD 4.17Å; S752-M836 WeakPolarHBondContact OG-CA 3.23Å; A755-M836 HydrophobicContact CB-CG 4.45Å; F817-M836 HydrophobicContact CE2-CG 4.27Å; G832-M836 WeakPolarHBondContact O-CB 3.45Å; G832-M836 PolarHBondContact O-N 2.87Å; I833-M836 HydrophobicContact CB-CE 4.46Å; I833-M836 HydrophobicContact CG2-CE 3.94Å; I833-M836 PolarHBondContact O-N 3.36Å; M836-R838 PolarHBondContact O-N 3.47Å; M836-N839 PolarHBondContact O-N 3.2Å; M836-G840 PolarHBondContact O-N 2.92Å; M836-I896 HydrophobicContact CE-CB 4.46Å; M836-I896 HydrophobicContact CE-CG2 3.33Å; M836-V897 HydrophobicContact CE-CG2 4.44Å; M836-V897 HydrophobicContact SD-CG2 4.41Å; M836-L900 HydrophobicContact CG-CD1 4.3Å; M836-L900 HydrophobicContact SD-CD1 3.79Å
837L93.1Very high85.9Confident0 Ų049.3 Ų49.30%024%0.236CC..Hα-helixtrans-58.5-46.9179.9-75.9178.7000112.1F817 I822 I833 E835 G840 G841 A842 V844 I896F817-L837 HydrophobicContact CD1-CD2 4.5Å; F817-L837 HydrophobicContact CD2-CD2 3.88Å; F817-L837 HydrophobicContact CE1-CD2 4.4Å; F817-L837 HydrophobicContact CE2-CD2 3.8Å; F817-L837 HydrophobicContact CG-CD2 4.23Å; F817-L837 HydrophobicContact CZ-CD2 4.06Å; I822-L837 HydrophobicContact CD1-CD1 3.9Å; I822-L837 HydrophobicContact CD1-CD2 3.35Å; I822-L837 HydrophobicContact CD1-CG 4.12Å; I822-L837 HydrophobicContact CG2-CD1 4.2Å; I833-L837 HydrophobicContact CG2-CD1 3.91Å; I833-L837 HydrophobicContact CG2-CG 4.15Å; I833-L837 WeakPolarHBondContact O-CB 3.46Å; I833-L837 VanDerWaalsContact O-CG 3.25Å; I833-L837 WeakPolarHBondContact O-CG 3.28Å; I833-L837 PolarHBondContact O-N 2.83Å; E835-L837 PolarHBondContact O-N 3.48Å; L837-G840 CarbonylContact O-C 3.6Å; L837-G840 PolarHBondContact O-N 3.18Å; L837-G841 PolarHBondContact O-N 3.31Å; L837-A842 HydrophobicContact CB-CB 4.23Å; L837-A842 WeakPolarHBondContact O-CB 3.2Å; L837-A842 PolarHBondContact O-N 3.02Å; L837-V844 HydrophobicContact CB-CG2 3.61Å; L837-V844 HydrophobicContact CD1-CG1 4.33Å; L837-V844 HydrophobicContact CD1-CG2 3.72Å; L837-V844 HydrophobicContact CG-CG2 4.34Å; L837-I896 HydrophobicContact CD1-CD1 4.22Å; L837-I896 HydrophobicContact CD2-CD1 4.38Å; L837-I896 HydrophobicContact CD2-CG2 3.44Å; L837-I896 VanDerWaalsContact CD2-CG2 3.44Å; L837-I896 HydrophobicContact CG-CG2 4.31Å
838R93.4Very high86.5Confident142 Ų14247 Ų4754%0.53623%0.227SC..Hα-helixtrans-69.7-38.7-179.2-71.8172178.2-166.2-4.1112.4V834 E835 M836 G840 G841 V844V834-R838 WeakPolarHBondContact O-CB 3.34Å; V834-R838 WeakPolarHBondContact O-CD 3.45Å; V834-R838 VanDerWaalsContact O-CG 3.23Å; V834-R838 WeakPolarHBondContact O-CG 3.36Å; V834-R838 PolarHBondContact O-N 3.15Å; E835-R838 PolarHBondContact O-N 3.5Å; M836-R838 PolarHBondContact O-N 3.47Å; R838-G840 VanDerWaalsContact C-N 3.26Å; R838-G840 PolarHBondContact O-N 2.86Å; R838-G841 PolarHBondContact O-N 2.93Å; R838-G841 VanDerWaalsContact O-N 3.1Å; R838-V844 HydrophobicContact CG-CG2 4.11Å
839N91.6Very high86.9Confident24 Ų2447.9 Ų47.913%0.12823%0.231CC..Hα-helixtrans-66.7-29.6175.5-68.2-41.8000112.2Y732 S752 E835 M836 G841Y732-N839 HydrophobicContact CD1-CB 4.17Å; Y732-N839 VanDerWaalsContact CD1-CG 3.44Å; Y732-N839 WeakPolarHBondContact CD1-ND2 3.19Å; Y732-N839 HydrophobicContact CE1-CB 4.23Å; S752-N839 PolarHBondContact OG-ND2 2.87Å; E835-N839 WeakPolarHBondContact CG-ND2 3.34Å; E835-N839 WeakPolarHBondContact O-CB 3.5Å; E835-N839 VanDerWaalsContact O-CG 3.27Å; E835-N839 PolarHBondContact O-N 2.78Å; E835-N839 PolarHBondContact O-ND2 2.71Å; M836-N839 PolarHBondContact O-N 3.2Å; N839-G841 VanDerWaalsContact C-N 3.35Å
840G91.5Very high87.2Confident0 Ų043.4 Ų43.40%021%0.214CC..THydrogen-bonded Turntrans-85.710.3170.300000115.5V815 F817 Q818 M836 L837 R838V815-G840 VanDerWaalsContact CG2-O 3.23Å; V815-G840 WeakPolarHBondContact CG2-O 3.13Å; F817-G840 CarbonylContact C-O 3.52Å; F817-G840 VanDerWaalsContact C-O 3.26Å; F817-G840 VanDerWaalsContact CA-O 3.26Å; F817-G840 WeakPolarHBondContact CA-O 3.42Å; F817-G840 WeakPolarHBondContact CB-O 3.24Å; F817-G840 PolarHBondContact N-O 3.14Å; Q818-G840 PolarHBondContact N-O 3.15Å; M836-G840 PolarHBondContact O-N 2.92Å; L837-G840 CarbonylContact O-C 3.6Å; L837-G840 PolarHBondContact O-N 3.18Å; R838-G840 VanDerWaalsContact C-N 3.26Å; R838-G840 PolarHBondContact O-N 2.86Å
841G92.3Very high87.2Confident26 Ų2643.9 Ų43.927%0.26822%0.221SC..THydrogen-bonded Turntrans92.18171.400000117.4F817 G819 L837 R838 N839F817-G841 CarbonylContact O-C 3.5Å; G819-G841 PolarHBondContact N-O 3.27Å; L837-G841 PolarHBondContact O-N 3.31Å; R838-G841 PolarHBondContact O-N 2.93Å; R838-G841 VanDerWaalsContact O-N 3.1Å; N839-G841 VanDerWaalsContact C-N 3.35Å
842A93.8Very high87.3Confident6 Ų646 Ų465%0.0523%0.226CC..  trans-88.1146.8177.400000113.9F817 W820 I822 L837F817-A842 HydrophobicContact CB-CB 3.75Å; F817-A842 PolarHBondContact O-N 3.45Å; W820-A842 HydrophobicContact CB-CB 4.01Å; W820-A842 CarbonylContact O-C 3.59Å; W820-A842 WeakPolarHBondContact O-CA 3.23Å; I822-A842 HydrophobicContact CD1-CB 3.53Å; I822-A842 HydrophobicContact CG1-CB 4.18Å; L837-A842 HydrophobicContact CB-CB 4.23Å; L837-A842 WeakPolarHBondContact O-CB 3.2Å; L837-A842 PolarHBondContact O-N 3.02Å
843T92.8Very high87.2Confident75 Ų7553.7 Ų53.746%0.4626%0.258SS..EExtended strand (participates in β ladder)trans-91.3126.6166.1-55.80000109.5W820 I822 F845W820-T843 PolarHBondContact O-N 2.79Å; I822-T843 PolarHBondContact N-O 3.17Å; T843-F845 HydrophobicContact CG2-CD2 4.36Å; T843-F845 HydrophobicContact CG2-CE1 4.36Å; T843-F845 HydrophobicContact CG2-CE2 3.52Å; T843-F845 HydrophobicContact CG2-CZ 3.52Å
844V92.3Very high87Confident10 Ų1058.4 Ų58.46%0.06128%0.283CS..EExtended strand (participates in β ladder)trans-114.2120.5-172.7-171.70000111.9I822 L824 V834 L837 R838 F846I822-V844 WeakPolarHBondContact O-CA 3.43Å; L824-V844 HydrophobicContact CB-CG1 4Å; L824-V844 HydrophobicContact CD2-CG1 4.32Å; V834-V844 HydrophobicContact CG2-CG1 4.35Å; L837-V844 HydrophobicContact CB-CG2 3.61Å; L837-V844 HydrophobicContact CD1-CG1 4.33Å; L837-V844 HydrophobicContact CD1-CG2 3.72Å; L837-V844 HydrophobicContact CG-CG2 4.34Å; R838-V844 HydrophobicContact CG-CG2 4.11Å; V844-F846 HydrophobicContact CG1-CE1 4.41Å; V844-F846 HydrophobicContact CG1-CZ 4.15Å
845F90.1Very high87Confident43 Ų4358.1 Ų58.119%0.18928%0.281CS..EExtended strand (participates in β ladder)trans-108.7160177.8-56.3-90000110.8N821 I822 L823 L824 T843 D850 Y855N821-F845 HydrophobicContact CB-CE2 4.16Å; I822-F845 PolarHBondContact O-N 3.17Å; L823-F845 HydrophobicContact CD1-CB 4.13Å; L824-F845 PolarHBondContact N-O 3.28Å; T843-F845 HydrophobicContact CG2-CD2 4.36Å; T843-F845 HydrophobicContact CG2-CE1 4.36Å; T843-F845 HydrophobicContact CG2-CE2 3.52Å; T843-F845 HydrophobicContact CG2-CZ 3.52Å; F845-D850 HydrophobicContact CB-CB 4.49Å; F845-D850 HydrophobicContact CD1-CB 3.98Å; F845-Y855 HydrophobicContact CD1-CE2 4.35Å; F845-Y855 HydrophobicContact CD2-CD2 4.14Å; F845-Y855 AromaticContact CD2-CE2 3.6Å; F845-Y855 HydrophobicContact CD2-CE2 3.6Å; F845-Y855 HydrophobicContact CE1-CE2 4.35Å; F845-Y855 HydrophobicContact CE2-CD2 4.39Å; F845-Y855 AromaticContact CE2-CE2 3.59Å; F845-Y855 HydrophobicContact CE2-CE2 3.59Å; F845-Y855 AromaticContact CE2-CZ 3.69Å; F845-Y855 HydrophobicContact CG-CE2 4.01Å; F845-Y855 AromaticContact CZ-CE2 3.99Å; F845-Y855 HydrophobicContact CZ-CE2 3.99Å; F845-Y855 AromaticContact CZ-CZ 3.84Å; F845-Y855 VanDerWaalsContact CZ-OH 3.28Å; F845-Y855 WeakPolarHBondContact CZ-OH 3.34Å
846F87.1Confident87.2Confident70 Ų7057.2 Ų57.231%0.30728%0.277SS..  trans-135.4-3.7-177.6-57-85.8000114.1L824 K829 V834 V844L824-F846 HydrophobicContact CD2-CE1 4.26Å; K829-F846 HydrophobicContact CB-CE1 4.5Å; K829-F846 HydrophobicContact CD-CE1 4.48Å; K829-F846 HydrophobicContact CG-CD1 4.24Å; K829-F846 HydrophobicContact CG-CE1 4.11Å; V834-F846 HydrophobicContact CG1-CZ 4.1Å; V834-F846 HydrophobicContact CG2-CE1 3.74Å; V834-F846 HydrophobicContact CG2-CZ 3.56Å; V844-F846 HydrophobicContact CG1-CE1 4.41Å; V844-F846 HydrophobicContact CG1-CZ 4.15Å
847D79.8Confident87.1Confident67 Ų6757.1 Ų57.136%0.35828%0.276SS..  trans-117.6130-172.6-164.6-40.7000109.7L823 K849 D850L823-D847 WeakPolarHBondContact CD1-O 3.28Å; D847-K849 HydrophobicContact CB-CD 4.44Å; D847-K849 HydrophobicContact CB-CG 4.26Å; D847-K849 PolarHBondContact O-N 2.88Å; D847-K849 VanDerWaalsContact O-N 3.16Å; D847-K849 WeakPolarHBondContact OD1-CD 3.31Å; D847-K849 WeakPolarHBondContact OD1-CG 3.35Å; D847-K849 PolarHBondContact OD1-N 3.08Å; D847-K849 VanDerWaalsContact OD1-N 3.07Å; D847-K849 WeakPolarHBondContact OD2-CD 3.23Å; D847-K849 WeakPolarHBondContact OD2-CE 3.4Å; D847-K849 IonicContact OD2-NZ 3.64Å; D847-K849 PolarHBondContact OD2-NZ 3.01Å; D847-D850 WeakPolarHBondContact O-CB 3.4Å; D847-D850 PolarHBondContact O-N 3.49Å
848L78Confident87Confident67 Ų6757.1 Ų57.135%0.35128%0.276SS..G310 helixtrans-59.3-26.7-178.7-65165.7000112.4L823 L825 D850 A851 Q879 L883L823-L848 HydrophobicContact CD2-CD2 4.39Å; L825-L848 HydrophobicContact CD1-CD2 4Å; L825-L848 HydrophobicContact CD2-CD2 4.04Å; L848-D850 PolarHBondContact O-N 3.42Å; L848-A851 VanDerWaalsContact O-CB 3.24Å; L848-A851 WeakPolarHBondContact O-CB 3.17Å; L848-A851 PolarHBondContact O-N 3.38Å; L848-Q879 HydrophobicContact CD1-CB 4.37Å; L848-Q879 HydrophobicContact CD1-CG 4.14Å; L848-L883 HydrophobicContact CD2-CD1 3.82Å; L848-L883 HydrophobicContact CD2-CD2 4.1Å; L848-L883 HydrophobicContact CD2-CG 4.22Å
849K77.6Confident86.7Confident152 Ų15250.5 Ų50.566%0.66125%0.252SS*.G310 helixtrans-66.8-22.4176.883.2-164177.6-139.90113.3D847 A851D847-K849 HydrophobicContact CB-CD 4.44Å; D847-K849 HydrophobicContact CB-CG 4.26Å; D847-K849 PolarHBondContact O-N 2.88Å; D847-K849 VanDerWaalsContact O-N 3.16Å; D847-K849 WeakPolarHBondContact OD1-CD 3.31Å; D847-K849 WeakPolarHBondContact OD1-CG 3.35Å; D847-K849 PolarHBondContact OD1-N 3.08Å; D847-K849 VanDerWaalsContact OD1-N 3.07Å; D847-K849 WeakPolarHBondContact OD2-CD 3.23Å; D847-K849 WeakPolarHBondContact OD2-CE 3.4Å; D847-K849 IonicContact OD2-NZ 3.64Å; D847-K849 PolarHBondContact OD2-NZ 3.01Å; K849-A851 VanDerWaalsContact C-N 3.3Å
850D76.3Confident86.3Confident57 Ų5749.8 Ų49.831%0.30525%0.247SC..G310 helixtrans-85.6-8.9-177.1-59.6-26000111.1F845 D847 L848 Y855F845-D850 HydrophobicContact CB-CB 4.49Å; F845-D850 HydrophobicContact CD1-CB 3.98Å; D847-D850 WeakPolarHBondContact O-CB 3.4Å; D847-D850 PolarHBondContact O-N 3.49Å; L848-D850 PolarHBondContact O-N 3.42Å; D850-Y855 WeakPolarHBondContact O-CE2 3.25Å
851A78Confident85.6Confident28 Ų2851.6 Ų51.623%0.23126%0.259CS..  trans-62.2138.6-175.100000113.5L823 L848 K849 L883 V888L823-A851 HydrophobicContact CD2-CB 3.91Å; L848-A851 VanDerWaalsContact O-CB 3.24Å; L848-A851 WeakPolarHBondContact O-CB 3.17Å; L848-A851 PolarHBondContact O-N 3.38Å; K849-A851 VanDerWaalsContact C-N 3.3Å; A851-L883 HydrophobicContact CB-CD2 3.58Å; A851-V888 HydrophobicContact CB-CG2 4.22Å
852R83.9Confident84.2Confident151 Ų15154.6 Ų54.657%0.5728%0.275SS*.  trans-140.8159.9178.3-54.2-177.4-170.5-174.7-0.7111D854 Y855R852-D854 WeakPolarHBondContact CB-OD1 3.34Å; R852-D854 PolarHBondContact O-N 3.09Å; R852-D854 VanDerWaalsContact O-N 3.09Å; R852-Y855 HydrophobicContact CB-CD1 3.8Å; R852-Y855 HydrophobicContact CB-CE1 3.82Å; R852-Y855 HydrophobicContact CB-CG 4.2Å; R852-Y855 HydrophobicContact CG-CD1 4.37Å; R852-Y855 HydrophobicContact CG-CE1 3.94Å; R852-Y855 HydrophobicContact CG-CE2 4.32Å; R852-Y855 PolarHBondContact NE-OH 3.49Å; R852-Y855 VanDerWaalsContact O-CB 3.31Å; R852-Y855 WeakPolarHBondContact O-CB 3.35Å; R852-Y855 PolarHBondContact O-N 2.94Å
853K82.5Confident82.3Confident168 Ų16856 Ų5673%0.7329%0.285SS*.THydrogen-bonded Turntrans-59.4-20.2-178.8-175.3169.3-179.1177.80114.7
854D83.9Confident80.3Confident100 Ų10060.3 Ų60.354%0.53530%0.297SS..THydrogen-bonded Turntrans-86.6-5.5174.360.5-66000114N821 R852N821-D854 PolarHBondContact ND2-OD2 3.15Å; R852-D854 WeakPolarHBondContact CB-OD1 3.34Å; R852-D854 PolarHBondContact O-N 3.09Å; R852-D854 VanDerWaalsContact O-N 3.09Å
855Y89.9Confident77.8Confident8 Ų860.4 Ų60.43%0.03130%0.298CS..  trans-88.5156.8-171.7-69.718.1000112.1N821 F845 D850 R852 V888 R889N821-Y855 HydrophobicContact CB-CD1 3.26Å; N821-Y855 HydrophobicContact CB-CD2 4.32Å; N821-Y855 HydrophobicContact CB-CE1 3.42Å; N821-Y855 VanDerWaalsContact CB-CE1 3.42Å; N821-Y855 HydrophobicContact CB-CE2 4.43Å; N821-Y855 HydrophobicContact CB-CG 3.76Å; N821-Y855 WeakPolarHBondContact ND2-CE1 3.31Å; N821-Y855 WeakPolarHBondContact O-CA 3.46Å; F845-Y855 HydrophobicContact CD1-CE2 4.35Å; F845-Y855 HydrophobicContact CD2-CD2 4.14Å; F845-Y855 AromaticContact CD2-CE2 3.6Å; F845-Y855 HydrophobicContact CD2-CE2 3.6Å; F845-Y855 HydrophobicContact CE1-CE2 4.35Å; F845-Y855 HydrophobicContact CE2-CD2 4.39Å; F845-Y855 AromaticContact CE2-CE2 3.59Å; F845-Y855 HydrophobicContact CE2-CE2 3.59Å; F845-Y855 AromaticContact CE2-CZ 3.69Å; F845-Y855 HydrophobicContact CG-CE2 4.01Å; F845-Y855 AromaticContact CZ-CE2 3.99Å; F845-Y855 HydrophobicContact CZ-CE2 3.99Å; F845-Y855 AromaticContact CZ-CZ 3.84Å; F845-Y855 VanDerWaalsContact CZ-OH 3.28Å; F845-Y855 WeakPolarHBondContact CZ-OH 3.34Å; D850-Y855 WeakPolarHBondContact O-CE2 3.25Å; R852-Y855 HydrophobicContact CB-CD1 3.8Å; R852-Y855 HydrophobicContact CB-CE1 3.82Å; R852-Y855 HydrophobicContact CB-CG 4.2Å; R852-Y855 HydrophobicContact CG-CD1 4.37Å; R852-Y855 HydrophobicContact CG-CE1 3.94Å; R852-Y855 HydrophobicContact CG-CE2 4.32Å; R852-Y855 PolarHBondContact NE-OH 3.49Å; R852-Y855 VanDerWaalsContact O-CB 3.31Å; R852-Y855 WeakPolarHBondContact O-CB 3.35Å; R852-Y855 PolarHBondContact O-N 2.94Å; Y855-V888 WeakPolarHBondContact O-CG1 3.4Å; Y855-R889 PolarHBondContact O-N 3.34Å; Y855-R889 VanDerWaalsContact O-N 3.12Å
856L91.6Very high75.4Confident6 Ų659.6 Ų59.63%0.03130%0.298CS..EExtended strand (participates in β ladder)trans-110.3119.3171.6-173.5153.3000109W820 N821 I822 L823 A858 R889 F891 Y895W820-L856 HydrophobicContact CE3-CD1 4.37Å; W820-L856 HydrophobicContact CZ3-CD1 4.35Å; N821-L856 PolarHBondContact O-N 3.17Å; I822-L856 CarbonylContact C-O 3.28Å; I822-L856 VanDerWaalsContact CA-O 3.28Å; I822-L856 WeakPolarHBondContact CA-O 3.31Å; L823-L856 PolarHBondContact N-O 3.27Å; L856-A858 HydrophobicContact CD2-CB 4.39Å; L856-R889 CarbonylContact C-O 3.32Å; L856-R889 WeakPolarHBondContact CA-O 3.3Å; L856-F891 HydrophobicContact CD1-CD2 3.89Å; L856-F891 HydrophobicContact CD1-CE2 3.71Å; L856-F891 HydrophobicContact CD2-CD2 3.99Å; L856-F891 HydrophobicContact CG-CD2 3.72Å; L856-F891 HydrophobicContact CG-CE2 3.84Å; L856-Y895 HydrophobicContact CD1-CD1 4.17Å; L856-Y895 HydrophobicContact CD1-CE1 3.45Å; L856-Y895 VanDerWaalsContact CD1-CE1 3.45Å; L856-Y895 HydrophobicContact CD2-CD1 4.31Å; L856-Y895 HydrophobicContact CD2-CE1 4.37Å
857A90.2Very high73Confident0 Ų059 Ų590%030%0.302CS..EExtended strand (participates in β ladder)trans-91.8124.6173.300000110.3L823 I859 L883 V888 R889 C890 F891L823-A857 HydrophobicContact CB-CB 4.34Å; L823-A857 HydrophobicContact CD2-CB 4.49Å; L823-A857 WeakPolarHBondContact O-CA 3.14Å; A857-I859 HydrophobicContact CB-CD1 4.48Å; A857-L883 HydrophobicContact CB-CD1 4.17Å; A857-V888 HydrophobicContact CB-CG1 3.87Å; A857-R889 PolarHBondContact N-O 2.83Å; A857-C890 HydrophobicContact CB-CB 4.37Å; A857-C890 WeakPolarHBondContact O-CA 3.28Å; A857-F891 PolarHBondContact O-N 2.86Å
858A90.2Very high70.8Confident0 Ų063.8 Ų63.80%032%0.32CS..EExtended strand (participates in β ladder)trans-108.6116.5173.300000108.6I822 L823 L824 L825 L856 L893 I896I822-A858 HydrophobicContact CG2-CB 4.43Å; L823-A858 PolarHBondContact O-N 2.72Å; L824-A858 HydrophobicContact CD1-CB 4.21Å; L825-A858 PolarHBondContact N-O 2.9Å; L856-A858 HydrophobicContact CD2-CB 4.39Å; A858-L893 HydrophobicContact CB-CD1 4.42Å; A858-I896 HydrophobicContact CB-CD1 3.72Å; A858-I896 HydrophobicContact CB-CG1 4.13Å
859I87.1Confident68.9Low3 Ų364.2 Ų64.22%0.01533%0.325CS..EExtended strand (participates in β ladder)trans-113.7126.4-168.8-70.6157.9000110.5L825 A857 V861 W880 C890 F891 L893 L912 F917L825-I859 HydrophobicContact CB-CG1 3.93Å; L825-I859 HydrophobicContact CD1-CD1 4.26Å; L825-I859 HydrophobicContact CD1-CG1 3.81Å; L825-I859 HydrophobicContact CG-CG1 4.39Å; A857-I859 HydrophobicContact CB-CD1 4.48Å; I859-V861 HydrophobicContact CG2-CG2 4.46Å; I859-V861 PolarHBondContact O-N 3.09Å; I859-W880 HydrophobicContact CD1-CB 3.76Å; I859-C890 HydrophobicContact CD1-CB 4.33Å; I859-F891 PolarHBondContact N-O 3.1Å; I859-L893 PolarHBondContact O-N 2.78Å; I859-L912 HydrophobicContact CB-CD1 4.13Å; I859-L912 HydrophobicContact CD1-CD1 3.53Å; I859-L912 HydrophobicContact CG1-CD1 4.36Å; I859-F917 HydrophobicContact CG2-CE1 4.12Å; I859-F917 HydrophobicContact CG2-CZ 4.23Å
860D83.3Confident67Low8 Ų865.2 Ų65.24%0.04333%0.332CS..  trans-72.2103.1171.1174.523.7000111L825 T826 S862 S863 L893L825-D860 PolarHBondContact O-N 3.26Å; T826-D860 HydrophobicContact CG2-CB 4.01Å; D860-S862 WeakPolarHBondContact OD1-CB 3.08Å; D860-S862 PolarHBondContact OD1-N 2.87Å; D860-S862 PolarHBondContact OD1-OG 2.58Å; D860-S863 PolarHBondContact OD2-OG 3.01Å; D860-L893 HydrophobicContact CB-CD2 4.41Å
861V77.1Confident65.1Low39 Ų3972.7 Ų72.724%0.23636%0.358CS..  trans-86.1-21.2173.9-176.70000111.5I859 S863 K892 L912 D916 F917I859-V861 HydrophobicContact CG2-CG2 4.46Å; I859-V861 PolarHBondContact O-N 3.09Å; V861-S863 PolarHBondContact O-N 3.07Å; V861-K892 HydrophobicContact CG2-CG 4.24Å; V861-L912 HydrophobicContact CG2-CD2 3.62Å; V861-D916 HydrophobicContact CG1-CB 4.08Å; V861-D916 WeakPolarHBondContact CG1-O 3.4Å; V861-F917 HydrophobicContact CG2-CE1 4.33Å
862S63.7Low63.1Low88 Ų8874.7 Ų74.762%0.61537%0.367SS*.SBendtrans-68.52.4-169.975.80000115.3D860D860-S862 WeakPolarHBondContact OD1-CB 3.08Å; D860-S862 PolarHBondContact OD1-N 2.87Å; D860-S862 PolarHBondContact OD1-OG 2.58Å
863S52.9Low61Low36 Ų3674.1 Ų74.125%0.25238%0.38SS..SBendtrans-141.4163.6-167.871.80000112.3Q827 D860 V861 C865Q827-S863 WeakPolarHBondContact CG-OG 3.45Å; Q827-S863 VanDerWaalsContact NE2-CB 3.31Å; Q827-S863 PolarHBondContact NE2-OG 2.77Å; D860-S863 PolarHBondContact OD2-OG 3.01Å; V861-S863 PolarHBondContact O-N 3.07Å; S863-C865 PolarHBondContact O-N 2.84Å; S863-C865 PolarHBondContact OG-SG 3.21Å
864K49.7Very low59.1Low165 Ų16572.2 Ų72.272%0.71737%0.372SS*.SBendtrans-73.637-170.1-64.8172.4179.8167.90114.8C866K864-C866 VanDerWaalsContact C-N 3.34Å; K864-C866 PolarHBondContact O-N 3.34Å
865C40.8Very low57.7Low12 Ų1270.6 Ų70.68%0.08137%0.367CS..THydrogen-bonded Turntrans-58-37-178.2-79.10000114.1Q827 S863 L876Q827-C865 WeakPolarHBondContact CG-SG 3.44Å; Q827-C865 PolarHBondContact NE2-SG 3.16Å; Q827-C865 VanDerWaalsContact NE2-SG 3.4Å; S863-C865 PolarHBondContact O-N 2.84Å; S863-C865 PolarHBondContact OG-SG 3.21Å; C865-L876 HydrophobicContact CB-CB 4.41Å; C865-L876 HydrophobicContact CB-CD1 4.08Å; C865-L876 HydrophobicContact CB-CD2 4.02Å; C865-L876 HydrophobicContact CB-CG 4.38Å; C865-L876 WeakPolarHBondContact O-CD1 3.45Å
866C40.6Very low56Low27 Ų2771.7 Ų71.718%0.18237%0.374CS..THydrogen-bonded Turntrans-75.9-35.8-172.4-70.70000114.4K864 T877 F917K864-C866 VanDerWaalsContact C-N 3.34Å; K864-C866 PolarHBondContact O-N 3.34Å; C866-T877 WeakPolarHBondContact CB-OG1 3.13Å; C866-T877 PolarHBondContact SG-OG1 3.44Å; C866-T877 VanDerWaalsContact SG-OG1 3.41Å; C866-F917 WeakPolarHBondContact SG-CD1 3.23Å
867S34.8Very low54.3Low58 Ų5873 Ų7341%0.40638%0.381SS..THydrogen-bonded Turntrans-115.4-8.1-161.849.80000117.1D919S867-D919 PolarHBondContact OG-OD1 3.13Å
868K34.8Very low52.8Low167 Ų16776.6 Ų76.673%0.72640%0.401SS*.  trans-135.812.6-171.2-74.5-174.7176154.70120.2Q870K868-Q870 PolarHBondContact O-N 2.89Å
869V37.6Very low51.7Low75 Ų7578.3 Ų78.346%0.45541%0.409SS..  trans-87.389.5173.7-172.60000111.7Y871 T872V869-Y871 PolarHBondContact O-N 3.42Å; V869-T872 HydrophobicContact CG1-CG2 3.97Å; V869-T872 WeakPolarHBondContact CG1-OG1 3.27Å
870Q37.3Very low51.2Low173 Ų17379.8 Ų79.881%0.80841%0.414SS*.THydrogen-bonded Turntrans-69.95.7-179.7-72-173.9-2900115.7K868K868-Q870 PolarHBondContact O-N 2.89Å
871Y36.5Very low50.9Low215 Ų21583.1 Ų83.184%0.84343%0.426SS*.THydrogen-bonded Turntrans-126.912.1-171.9-63.7-73.2000114.7V869V869-Y871 PolarHBondContact O-N 3.42Å
872T36.6Very low51Low70 Ų7085.6 Ų85.643%0.42944%0.442SS..SBendtrans-121.4134.4170.549.50000110.1V869 F874V869-T872 HydrophobicContact CG1-CG2 3.97Å; V869-T872 WeakPolarHBondContact CG1-OG1 3.27Å; T872-F874 PolarHBondContact O-N 3.08Å
873T39.8Very low51.9Low138 Ų13881.8 Ų81.885%0.84741%0.414SS*.SBendtrans-63.6-14.2-168.8-32.40000115
874F42.5Very low53.3Low129 Ų12983.4 Ų83.457%0.56642%0.422SS*.SBendtrans-140.9138.7177.6-69.5-86.7000110.8T872 Q879T872-F874 PolarHBondContact O-N 3.08Å; F874-Q879 PolarHBondContact O-NE2 3.23Å
875P53.9Low54.8Low66 Ų6682.1 Ų82.143%0.42942%0.423SS..  trans-64.9150.6172-19.832.5000112.8T877 N878 Q879P875-T877 PolarHBondContact O-N 3.05Å; P875-N878 PolarHBondContact O-N 3.21Å; P875-Q879 PolarHBondContact O-N 3.18Å
876L54.9Low56.8Low31 Ų3184.2 Ų84.216%0.16244%0.441CS..Hα-helixtrans-57.8-31.3178.2-90.695.3000113.1C865 N878 Q879 W880C865-L876 HydrophobicContact CB-CB 4.41Å; C865-L876 HydrophobicContact CB-CD1 4.08Å; C865-L876 HydrophobicContact CB-CD2 4.02Å; C865-L876 HydrophobicContact CB-CG 4.38Å; C865-L876 WeakPolarHBondContact O-CD1 3.45Å; L876-N878 PolarHBondContact O-N 2.88Å; L876-Q879 PolarHBondContact O-N 2.89Å; L876-W880 PolarHBondContact O-N 3.12Å
877T56.5Low58.8Low32 Ų3284.3 Ų84.320%0.19645%0.447CS..Hα-helixtrans-52.8-27.9174.8-37.40000113.4C866 P875 W880 R881 F917C866-T877 WeakPolarHBondContact CB-OG1 3.13Å; C866-T877 PolarHBondContact SG-OG1 3.44Å; C866-T877 VanDerWaalsContact SG-OG1 3.41Å; P875-T877 PolarHBondContact O-N 3.05Å; T877-W880 VanDerWaalsContact O-CD1 3.23Å; T877-W880 PolarHBondContact O-NE1 3.09Å; T877-W880 VanDerWaalsContact O-NE1 3.08Å; T877-R881 PolarHBondContact O-NH1 2.9Å; T877-F917 HydrophobicContact CG2-CB 4.04Å
878N59Low61.2Low76 Ų7681.8 Ų81.841%0.40643%0.429SS..Hα-helixtrans-94.7-30.3175.5-67.5-8.7000112.4P875 L876 R881 T882P875-N878 PolarHBondContact O-N 3.21Å; L876-N878 PolarHBondContact O-N 2.88Å; N878-R881 PolarHBondContact O-N 3.48Å; N878-R881 PolarHBondContact OD1-NH1 2.94Å; N878-T882 PolarHBondContact O-N 3.49Å; N878-T882 PolarHBondContact O-OG1 3.27Å; N878-T882 VanDerWaalsContact O-OG1 3.11Å
879Q66.7Low63.8Low36 Ų3679.4 Ų79.417%0.16842%0.416CS..Hα-helixtrans-64.2-42.3-177.2-61.7172.920.400112.2L848 F874 P875 L876 T882 L883L848-Q879 HydrophobicContact CD1-CB 4.37Å; L848-Q879 HydrophobicContact CD1-CG 4.14Å; F874-Q879 PolarHBondContact O-NE2 3.23Å; P875-Q879 PolarHBondContact O-N 3.18Å; L876-Q879 PolarHBondContact O-N 2.89Å; Q879-T882 PolarHBondContact O-N 3.46Å; Q879-L883 WeakPolarHBondContact O-CG 3.31Å; Q879-L883 PolarHBondContact O-N 3.01Å; Q879-L883 VanDerWaalsContact O-N 3.14Å
880W76.3Confident66.2Low34 Ų3476.5 Ų76.513%0.12940%0.399CS..Hα-helixtrans-67-38.4-179.780.1-91.8000112.5I859 L876 T877 T882 L883 V884 F917I859-W880 HydrophobicContact CD1-CB 3.76Å; L876-W880 PolarHBondContact O-N 3.12Å; T877-W880 VanDerWaalsContact O-CD1 3.23Å; T877-W880 PolarHBondContact O-NE1 3.09Å; T877-W880 VanDerWaalsContact O-NE1 3.08Å; W880-T882 PolarHBondContact O-N 2.87Å; W880-L883 WeakPolarHBondContact O-CB 3.29Å; W880-L883 PolarHBondContact O-N 3.07Å; W880-L883 VanDerWaalsContact O-N 3.15Å; W880-V884 HydrophobicContact CE3-CG2 3.88Å; W880-V884 HydrophobicContact CZ3-CG2 4.04Å; W880-V884 PolarHBondContact O-N 3.34Å; W880-F917 HydrophobicContact CB-CZ 4.33Å; W880-F917 AromaticContact CD1-CD2 3.73Å; W880-F917 AromaticContact CD1-CE2 3.39Å; W880-F917 AromaticContact CD1-CZ 3.69Å; W880-F917 HydrophobicContact CD2-CD2 4.3Å; W880-F917 AromaticContact CD2-CE2 3.6Å; W880-F917 HydrophobicContact CD2-CE2 3.6Å; W880-F917 HydrophobicContact CD2-CZ 4.25Å; W880-F917 AromaticContact CE2-CD2 3.59Å; W880-F917 AromaticContact CE2-CE2 3.37Å; W880-F917 HydrophobicContact CE3-CE2 4.4Å; W880-F917 HydrophobicContact CG-CD2 4.37Å; W880-F917 AromaticContact CG-CE2 3.64Å; W880-F917 HydrophobicContact CG-CE2 3.64Å; W880-F917 AromaticContact CG-CZ 3.85Å; W880-F917 HydrophobicContact CG-CZ 3.85Å; W880-F917 HydrophobicContact CZ2-CD2 4.02Å; W880-F917 AromaticContact CZ2-CE2 4Å; W880-F917 HydrophobicContact CZ2-CE2 4Å; W880-F917 AromaticContact NE1-CD2 3.21Å; W880-F917 AromaticContact NE1-CE2 3.24Å; W880-F917 AromaticContact NE1-CG 3.98Å
881R77.1Confident68.8Low79 Ų7968.6 Ų68.630%0.29836%0.362SS..Hα-helixtrans-61.4-44.8174.7-63.1-164.2-166.192.7-14.9110.8T877 N878 L883 V884 D885 E914T877-R881 PolarHBondContact O-NH1 2.9Å; N878-R881 PolarHBondContact O-N 3.48Å; N878-R881 PolarHBondContact OD1-NH1 2.94Å; R881-L883 PolarHBondContact O-N 2.62Å; R881-V884 PolarHBondContact O-N 3.49Å; R881-V884 VanDerWaalsContact O-N 3.08Å; R881-D885 VanDerWaalsContact O-CG 3.26Å; R881-D885 PolarHBondContact O-N 2.8Å; R881-E914 IonicContact CZ-OE1 2.75Å; R881-E914 IonicContact NE-OE1 2.68Å; R881-E914 IonicContact NH2-OE1 3.2Å; R881-E914 PolarHBondContact NH2-OE1 3.32Å
882T78.1Confident71.3Confident91 Ų9160.7 Ų60.756%0.55833%0.332SS*.Hα-helixtrans-58.6-32.8174.9-53.90000113.2N878 Q879 W880 A886N878-T882 PolarHBondContact O-N 3.49Å; N878-T882 PolarHBondContact O-OG1 3.27Å; N878-T882 VanDerWaalsContact O-OG1 3.11Å; Q879-T882 PolarHBondContact O-N 3.46Å; W880-T882 PolarHBondContact O-N 2.87Å; T882-A886 WeakPolarHBondContact O-CB 3.39Å; T882-A886 PolarHBondContact O-N 3.36Å
883L83.2Confident73.8Confident8 Ų857.6 Ų57.64%0.04231%0.312CS..Hα-helixtrans-71.1-43.3174-67.8169.5000111.8L823 L825 L848 A851 A857 Q879 W880 R881 A886 G887 V888L823-L883 HydrophobicContact CD2-CD1 4.08Å; L823-L883 HydrophobicContact CD2-CD2 3.79Å; L825-L883 HydrophobicContact CD1-CD1 3.56Å; L848-L883 HydrophobicContact CD2-CD1 3.82Å; L848-L883 HydrophobicContact CD2-CD2 4.1Å; L848-L883 HydrophobicContact CD2-CG 4.22Å; A851-L883 HydrophobicContact CB-CD2 3.58Å; A857-L883 HydrophobicContact CB-CD1 4.17Å; Q879-L883 WeakPolarHBondContact O-CG 3.31Å; Q879-L883 PolarHBondContact O-N 3.01Å; Q879-L883 VanDerWaalsContact O-N 3.14Å; W880-L883 WeakPolarHBondContact O-CB 3.29Å; W880-L883 PolarHBondContact O-N 3.07Å; W880-L883 VanDerWaalsContact O-N 3.15Å; R881-L883 PolarHBondContact O-N 2.62Å; L883-A886 CarbonylContact O-C 3.52Å; L883-A886 PolarHBondContact O-N 3.31Å; L883-G887 PolarHBondContact O-N 3.41Å; L883-V888 HydrophobicContact CB-CB 4.04Å; L883-V888 HydrophobicContact CB-CG2 4.19Å; L883-V888 HydrophobicContact CD2-CG2 4.06Å; L883-V888 VanDerWaalsContact O-CB 3.25Å; L883-V888 WeakPolarHBondContact O-CB 3.49Å; L883-V888 VanDerWaalsContact O-CG2 3.31Å; L883-V888 WeakPolarHBondContact O-CG2 3.27Å; L883-V888 PolarHBondContact O-N 3.18Å
884V83.4Confident76.1Confident69 Ų6952.3 Ų52.342%0.41828%0.278SS..Hα-helixtrans-62.3-41.8174.4175.10000111.3W880 R881 A886 G887 C890W880-V884 HydrophobicContact CE3-CG2 3.88Å; W880-V884 HydrophobicContact CZ3-CG2 4.04Å; W880-V884 PolarHBondContact O-N 3.34Å; R881-V884 PolarHBondContact O-N 3.49Å; R881-V884 VanDerWaalsContact O-N 3.08Å; V884-A886 VanDerWaalsContact C-N 3.3Å; V884-A886 PolarHBondContact O-N 3.24Å; V884-G887 WeakPolarHBondContact O-CA 3.48Å; V884-G887 PolarHBondContact O-N 3.08Å; V884-C890 HydrophobicContact CG2-CB 3.92Å
885D81.3Confident78.5Confident138 Ų13846.4 Ų46.474%0.73825%0.252SS*.Hα-helixtrans-63.6-34.4175-65.7-34.5000112.2R881 G887R881-D885 VanDerWaalsContact O-CG 3.26Å; R881-D885 PolarHBondContact O-N 2.8Å; D885-G887 PolarHBondContact O-N 2.82Å
886A81.5Confident80.3Confident56 Ų5643.3 Ų43.346%0.46323%0.232SC..THydrogen-bonded Turntrans-74.3-2.7170.500000113.6T882 L883 V884 V888T882-A886 WeakPolarHBondContact O-CB 3.39Å; T882-A886 PolarHBondContact O-N 3.36Å; L883-A886 CarbonylContact O-C 3.52Å; L883-A886 PolarHBondContact O-N 3.31Å; V884-A886 VanDerWaalsContact C-N 3.3Å; V884-A886 PolarHBondContact O-N 3.24Å; A886-V888 HydrophobicContact CB-CG2 4.31Å
887G82.7Confident82Confident30 Ų3041.8 Ų41.831%0.30922%0.224SC..THydrogen-bonded Turntrans82.613.5178.600000115.2L883 V884 D885L883-G887 PolarHBondContact O-N 3.41Å; V884-G887 WeakPolarHBondContact O-CA 3.48Å; V884-G887 PolarHBondContact O-N 3.08Å; D885-G887 PolarHBondContact O-N 2.82Å
888V85.9Confident83.6Confident4 Ų440.3 Ų40.32%0.02422%0.215CC..  trans-74.4131175.6-172.40000109.1A851 Y855 A857 L883 A886 C890A851-V888 HydrophobicContact CB-CG2 4.22Å; Y855-V888 WeakPolarHBondContact O-CG1 3.4Å; A857-V888 HydrophobicContact CB-CG1 3.87Å; L883-V888 HydrophobicContact CB-CB 4.04Å; L883-V888 HydrophobicContact CB-CG2 4.19Å; L883-V888 HydrophobicContact CD2-CG2 4.06Å; L883-V888 VanDerWaalsContact O-CB 3.25Å; L883-V888 WeakPolarHBondContact O-CB 3.49Å; L883-V888 VanDerWaalsContact O-CG2 3.31Å; L883-V888 WeakPolarHBondContact O-CG2 3.27Å; L883-V888 PolarHBondContact O-N 3.18Å; A886-V888 HydrophobicContact CB-CG2 4.31Å; V888-C890 PolarHBondContact O-N 3.34Å; V888-C890 PolarHBondContact O-SG 3.31Å
889R89.1Confident85.2Confident118 Ų11838.7 Ų38.745%0.44520%0.204SC..EExtended strand (participates in β ladder)trans-75.2115175.8-64.5-164.7-64.6148.6-2.4109.7Y855 L856 A857 F891 E907Y855-R889 PolarHBondContact O-N 3.34Å; Y855-R889 VanDerWaalsContact O-N 3.12Å; L856-R889 CarbonylContact C-O 3.32Å; L856-R889 WeakPolarHBondContact CA-O 3.3Å; A857-R889 PolarHBondContact N-O 2.83Å; R889-F891 HydrophobicContact CB-CE2 3.6Å; R889-F891 HydrophobicContact CB-CZ 4.06Å; R889-E907 IonicContact CZ-OE1 3.08Å; R889-E907 VanDerWaalsContact NH1-CD 3.33Å; R889-E907 IonicContact NH1-OE1 3.87Å; R889-E907 PolarHBondContact NH1-OE1 2.81Å; R889-E907 IonicContact NH1-OE2 2.78Å; R889-E907 PolarHBondContact NH1-OE2 3.18Å
890C88.6Confident86.3Confident14 Ų1437 Ų3710%0.09520%0.196CC..EExtended strand (participates in β ladder)trans-108.7127.2-173.3-59.10000111.6A857 I859 V884 V888 L912A857-C890 HydrophobicContact CB-CB 4.37Å; A857-C890 WeakPolarHBondContact O-CA 3.28Å; I859-C890 HydrophobicContact CD1-CB 4.33Å; V884-C890 HydrophobicContact CG2-CB 3.92Å; V888-C890 PolarHBondContact O-N 3.34Å; V888-C890 PolarHBondContact O-SG 3.31Å; C890-L912 HydrophobicContact CB-CD1 3.91Å
891F90.9Very high86.9Confident6 Ų635.4 Ų35.43%0.02619%0.19CC..EExtended strand (participates in β ladder)trans-134.8162.5-178.6-56.1-81.3000111.8L856 A857 I859 R889 Y895 E907 Y910 Q911L856-F891 HydrophobicContact CD1-CD2 3.89Å; L856-F891 HydrophobicContact CD1-CE2 3.71Å; L856-F891 HydrophobicContact CD2-CD2 3.99Å; L856-F891 HydrophobicContact CG-CD2 3.72Å; L856-F891 HydrophobicContact CG-CE2 3.84Å; A857-F891 PolarHBondContact O-N 2.86Å; I859-F891 PolarHBondContact N-O 3.1Å; R889-F891 HydrophobicContact CB-CE2 3.6Å; R889-F891 HydrophobicContact CB-CZ 4.06Å; F891-Y895 HydrophobicContact CB-CD2 3.82Å; F891-Y895 HydrophobicContact CB-CG 3.87Å; F891-Y895 AromaticContact CD1-CD2 3.56Å; F891-Y895 HydrophobicContact CD1-CD2 3.56Å; F891-Y895 AromaticContact CD1-CE2 3.86Å; F891-Y895 HydrophobicContact CD1-CE2 3.86Å; F891-Y895 HydrophobicContact CD1-CG 4.44Å; F891-Y895 AromaticContact CD2-CD2 3.84Å; F891-Y895 HydrophobicContact CD2-CD2 3.84Å; F891-Y895 AromaticContact CD2-CE2 3.91Å; F891-Y895 HydrophobicContact CD2-CE2 3.91Å; F891-Y895 HydrophobicContact CD2-CG 4.19Å; F891-Y895 HydrophobicContact CE1-CD2 4.05Å; F891-Y895 AromaticContact CE1-CE2 3.85Å; F891-Y895 HydrophobicContact CE1-CE2 3.85Å; F891-Y895 HydrophobicContact CE2-CD2 4.29Å; F891-Y895 AromaticContact CE2-CE2 3.89Å; F891-Y895 HydrophobicContact CE2-CE2 3.89Å; F891-Y895 AromaticContact CG-CD2 3.45Å; F891-Y895 HydrophobicContact CG-CD2 3.45Å; F891-Y895 VanDerWaalsContact CG-CD2 3.45Å; F891-Y895 AromaticContact CG-CE2 3.89Å; F891-Y895 HydrophobicContact CG-CE2 3.89Å; F891-Y895 AromaticContact CG-CG 3.92Å; F891-Y895 HydrophobicContact CG-CG 3.92Å; F891-Y895 HydrophobicContact CZ-CD2 4.4Å; F891-Y895 AromaticContact CZ-CE2 3.88Å; F891-Y895 HydrophobicContact CZ-CE2 3.88Å; F891-E907 HydrophobicContact CE1-CG 3.66Å; F891-E907 HydrophobicContact CZ-CG 3.88Å; F891-E907 VanDerWaalsContact CZ-OE1 3.29Å; F891-E907 WeakPolarHBondContact CZ-OE1 3.14Å; F891-Y910 WeakPolarHBondContact CA-O 3.3Å; F891-Y910 WeakPolarHBondContact CB-O 3.39Å; F891-Q911 HydrophobicContact CD1-CG 4.12Å; F891-Q911 HydrophobicContact CE1-CG 3.91Å
892K89.6Confident87.3Confident49 Ų4933 Ų3321%0.21318%0.183CC..EExtended strand (participates in β ladder)trans-63.3153167.2-50.9-175.9175.6-160.40110.4V861 E894 Y895 Y910 Q911 L912 D916V861-K892 HydrophobicContact CG2-CG 4.24Å; K892-E894 WeakPolarHBondContact CB-OE2 3.28Å; K892-E894 PolarHBondContact O-N 2.62Å; K892-E894 VanDerWaalsContact O-N 3.11Å; K892-Y895 WeakPolarHBondContact O-CB 3.21Å; K892-Y895 PolarHBondContact O-N 3.13Å; K892-Y910 PolarHBondContact N-O 2.84Å; K892-Q911 WeakPolarHBondContact CE-O 3.28Å; K892-L912 HydrophobicContact CB-CD2 4.39Å; K892-L912 HydrophobicContact CG-CD2 3.57Å; K892-L912 HydrophobicContact CG-CG 4.24Å; K892-D916 WeakPolarHBondContact CE-OD1 3.48Å; K892-D916 WeakPolarHBondContact CE-OD2 3.36Å; K892-D916 IonicContact NZ-OD1 3.94Å; K892-D916 PolarHBondContact NZ-OD1 3.47Å; K892-D916 IonicContact NZ-OD2 2.65Å; K892-D916 PolarHBondContact NZ-OD2 3.49Å
893L88.5Confident87.6Confident5 Ų534.5 Ų34.53%0.02619%0.188CC..THydrogen-bonded Turntrans-55.4-31179.7-173.664.7000112.4L146 L824 T826 I833 A858 I859 D860 Y895 I896L146-L893 HydrophobicContact CD2-CG 4.41Å; L824-L893 HydrophobicContact CD1-CD1 3.59Å; T826-L893 HydrophobicContact CG2-CD1 4.15Å; T826-L893 HydrophobicContact CG2-CD2 4.38Å; I833-L893 HydrophobicContact CD1-CD1 4.12Å; I833-L893 HydrophobicContact CD1-CD2 4.17Å; I833-L893 HydrophobicContact CD1-CG 4.3Å; A858-L893 HydrophobicContact CB-CD1 4.42Å; I859-L893 PolarHBondContact O-N 2.78Å; D860-L893 HydrophobicContact CB-CD2 4.41Å; L893-Y895 PolarHBondContact O-N 3.45Å; L893-Y895 VanDerWaalsContact O-N 3.17Å; L893-I896 HydrophobicContact CD1-CD1 3.99Å; L893-I896 PolarHBondContact O-N 2.85Å
894E89.2Confident87.6Confident28 Ų2839.1 Ų39.113%0.13122%0.219CC..THydrogen-bonded Turntrans-58.1-25.8178.3-63.764-134.300113.1I142 L146 K892 I896 V897 G898 Y910I142-E894 HydrophobicContact CG2-CB 4.4Å; L146-E894 VanDerWaalsContact CD1-CA 3.41Å; L146-E894 HydrophobicContact CD1-CB 4.16Å; L146-E894 HydrophobicContact CD1-CG 4Å; K892-E894 WeakPolarHBondContact CB-OE2 3.28Å; K892-E894 PolarHBondContact O-N 2.62Å; K892-E894 VanDerWaalsContact O-N 3.11Å; E894-I896 PolarHBondContact O-N 2.81Å; E894-I896 VanDerWaalsContact O-N 3.16Å; E894-V897 PolarHBondContact O-N 3.04Å; E894-G898 PolarHBondContact O-N 3.47Å; E894-Y910 HydrophobicContact CB-CD1 3.72Å; E894-Y910 HydrophobicContact CB-CE1 3.67Å
895Y91.9Very high87.7Confident5 Ų538.6 Ų38.62%0.0221%0.211CC..Hα-helixtrans-49.9-40.8174.2-178.4-85.5000113W820 L856 F891 K892 L893 F899 F905 E907 Y910W820-Y895 HydrophobicContact CH2-CD1 4.48Å; W820-Y895 AromaticContact CH2-CE1 3.55Å; W820-Y895 HydrophobicContact CH2-CE1 3.55Å; W820-Y895 HydrophobicContact CZ3-CD1 4.22Å; W820-Y895 AromaticContact CZ3-CE1 3.55Å; W820-Y895 HydrophobicContact CZ3-CE1 3.55Å; L856-Y895 HydrophobicContact CD1-CD1 4.17Å; L856-Y895 HydrophobicContact CD1-CE1 3.45Å; L856-Y895 VanDerWaalsContact CD1-CE1 3.45Å; L856-Y895 HydrophobicContact CD2-CD1 4.31Å; L856-Y895 HydrophobicContact CD2-CE1 4.37Å; F891-Y895 HydrophobicContact CB-CD2 3.82Å; F891-Y895 HydrophobicContact CB-CG 3.87Å; F891-Y895 AromaticContact CD1-CD2 3.56Å; F891-Y895 HydrophobicContact CD1-CD2 3.56Å; F891-Y895 AromaticContact CD1-CE2 3.86Å; F891-Y895 HydrophobicContact CD1-CE2 3.86Å; F891-Y895 HydrophobicContact CD1-CG 4.44Å; F891-Y895 AromaticContact CD2-CD2 3.84Å; F891-Y895 HydrophobicContact CD2-CD2 3.84Å; F891-Y895 AromaticContact CD2-CE2 3.91Å; F891-Y895 HydrophobicContact CD2-CE2 3.91Å; F891-Y895 HydrophobicContact CD2-CG 4.19Å; F891-Y895 HydrophobicContact CE1-CD2 4.05Å; F891-Y895 AromaticContact CE1-CE2 3.85Å; F891-Y895 HydrophobicContact CE1-CE2 3.85Å; F891-Y895 HydrophobicContact CE2-CD2 4.29Å; F891-Y895 AromaticContact CE2-CE2 3.89Å; F891-Y895 HydrophobicContact CE2-CE2 3.89Å; F891-Y895 AromaticContact CG-CD2 3.45Å; F891-Y895 HydrophobicContact CG-CD2 3.45Å; F891-Y895 VanDerWaalsContact CG-CD2 3.45Å; F891-Y895 AromaticContact CG-CE2 3.89Å; F891-Y895 HydrophobicContact CG-CE2 3.89Å; F891-Y895 AromaticContact CG-CG 3.92Å; F891-Y895 HydrophobicContact CG-CG 3.92Å; F891-Y895 HydrophobicContact CZ-CD2 4.4Å; F891-Y895 AromaticContact CZ-CE2 3.88Å; F891-Y895 HydrophobicContact CZ-CE2 3.88Å; K892-Y895 WeakPolarHBondContact O-CB 3.21Å; K892-Y895 PolarHBondContact O-N 3.13Å; L893-Y895 PolarHBondContact O-N 3.45Å; L893-Y895 VanDerWaalsContact O-N 3.17Å; Y895-F899 VanDerWaalsContact O-CB 3.27Å; Y895-F899 WeakPolarHBondContact O-CB 3.42Å; Y895-F899 PolarHBondContact O-N 2.82Å; Y895-F905 AromaticContact CD2-CZ 3.94Å; Y895-F905 HydrophobicContact CD2-CZ 3.94Å; Y895-F905 HydrophobicContact CE2-CE1 4.17Å; Y895-F905 AromaticContact CE2-CZ 3.61Å; Y895-F905 HydrophobicContact CE2-CZ 3.61Å; Y895-F905 AromaticContact CZ-CZ 3.95Å; Y895-E907 HydrophobicContact CE2-CB 4.49Å; Y895-E907 HydrophobicContact CE2-CG 4.1Å; Y895-Y910 HydrophobicContact CD2-CG 4.41Å
896I91.2Very high88.1Confident0 Ų038 Ų380%020%0.203CC..Hα-helixtrans-68.4-41.4-172-54.8172.7000111.1F817 L824 I833 M836 L837 A858 L893 E894F817-I896 HydrophobicContact CE1-CG2 4.03Å; F817-I896 HydrophobicContact CE2-CG2 4.49Å; F817-I896 HydrophobicContact CZ-CG2 3.7Å; L824-I896 HydrophobicContact CD1-CD1 4.29Å; I833-I896 HydrophobicContact CG2-CD1 4.01Å; M836-I896 HydrophobicContact CE-CB 4.46Å; M836-I896 HydrophobicContact CE-CG2 3.33Å; L837-I896 HydrophobicContact CD1-CD1 4.22Å; L837-I896 HydrophobicContact CD2-CD1 4.38Å; L837-I896 HydrophobicContact CD2-CG2 3.44Å; L837-I896 VanDerWaalsContact CD2-CG2 3.44Å; L837-I896 HydrophobicContact CG-CG2 4.31Å; A858-I896 HydrophobicContact CB-CD1 3.72Å; A858-I896 HydrophobicContact CB-CG1 4.13Å; L893-I896 HydrophobicContact CD1-CD1 3.99Å; L893-I896 PolarHBondContact O-N 2.85Å; E894-I896 PolarHBondContact O-N 2.81Å; E894-I896 VanDerWaalsContact O-N 3.16Å
897V90.3Very high88.2Confident0 Ų038.8 Ų38.80%020%0.198CC..Hα-helixtrans-87.9-32.8-178.9175.80000110.9I142 I145 L146 L751 M836 E894 F899 L900 L901I142-V897 HydrophobicContact CG2-CB 4.2Å; I142-V897 HydrophobicContact CG2-CG1 4.12Å; I145-V897 HydrophobicContact CG2-CG1 3.86Å; L146-V897 HydrophobicContact CD1-CB 3.97Å; L146-V897 HydrophobicContact CD1-CG2 4.02Å; L146-V897 HydrophobicContact CD2-CB 4.46Å; L146-V897 HydrophobicContact CD2-CG2 3.62Å; L146-V897 HydrophobicContact CG-CB 3.99Å; L146-V897 HydrophobicContact CG-CG2 3.64Å; L751-V897 HydrophobicContact CD1-CG1 4.3Å; L751-V897 HydrophobicContact CD1-CG2 3.84Å; M836-V897 HydrophobicContact CE-CG2 4.44Å; M836-V897 HydrophobicContact SD-CG2 4.41Å; E894-V897 PolarHBondContact O-N 3.04Å; V897-F899 VanDerWaalsContact C-N 3.31Å; V897-F899 PolarHBondContact O-N 3.43Å; V897-L900 PolarHBondContact O-N 3.4Å; V897-L901 HydrophobicContact CG1-CD1 3.6Å; V897-L901 HydrophobicContact CG1-CG 3.91Å; V897-L901 WeakPolarHBondContact O-CB 3.34Å; V897-L901 WeakPolarHBondContact O-CG 3.38Å; V897-L901 PolarHBondContact O-N 2.82Å
898G90.2Very high88.4Confident0 Ų045 Ų450%022%0.216CC..Hα-helixtrans-54.1-46166.500000112.1E894 L900 L901 D902 Y910E894-G898 PolarHBondContact O-N 3.47Å; G898-L900 PolarHBondContact O-N 2.72Å; G898-L901 PolarHBondContact O-N 3.47Å; G898-L901 VanDerWaalsContact O-N 3.15Å; G898-D902 VanDerWaalsContact O-CB 3.31Å; G898-D902 WeakPolarHBondContact O-CB 3.47Å; G898-D902 PolarHBondContact O-N 3.33Å; G898-Y910 WeakPolarHBondContact CA-OH 3.4Å
899F92.5Very high88.4Confident42 Ų4246.4 Ų46.418%0.18423%0.228CC..Hα-helixtrans-60.2-32175.6-178.8-93.2000113.5W805 A816 F817 W820 Y895 V897 F905W805-F899 HydrophobicContact CH2-CD1 4.38Å; W805-F899 AromaticContact CH2-CE1 3.52Å; W805-F899 HydrophobicContact CH2-CE1 3.52Å; W805-F899 AromaticContact CH2-CZ 3.92Å; W805-F899 HydrophobicContact CH2-CZ 3.92Å; W805-F899 HydrophobicContact CZ2-CD1 4.11Å; W805-F899 AromaticContact CZ2-CE1 3.7Å; W805-F899 HydrophobicContact CZ2-CE1 3.7Å; W805-F899 HydrophobicContact CZ2-CZ 4.31Å; A816-F899 HydrophobicContact CB-CE1 4.33Å; A816-F899 VanDerWaalsContact O-CE1 3.23Å; A816-F899 WeakPolarHBondContact O-CE1 3.1Å; F817-F899 AromaticContact CD1-CD1 3.99Å; F817-F899 HydrophobicContact CD1-CD1 3.99Å; F817-F899 HydrophobicContact CD1-CE1 4.19Å; F817-F899 AromaticContact CE1-CD1 3.68Å; F817-F899 HydrophobicContact CE1-CD1 3.68Å; F817-F899 HydrophobicContact CE1-CE1 4.3Å; W820-F899 HydrophobicContact CH2-CB 4.19Å; W820-F899 AromaticContact CH2-CD1 3.68Å; W820-F899 HydrophobicContact CH2-CD1 3.68Å; W820-F899 AromaticContact CH2-CD2 3.77Å; W820-F899 HydrophobicContact CH2-CD2 3.77Å; W820-F899 AromaticContact CH2-CE1 3.94Å; W820-F899 HydrophobicContact CH2-CE1 3.94Å; W820-F899 HydrophobicContact CH2-CE2 4.03Å; W820-F899 AromaticContact CH2-CG 3.59Å; W820-F899 HydrophobicContact CH2-CG 3.59Å; W820-F899 HydrophobicContact CH2-CZ 4.11Å; W820-F899 AromaticContact CZ2-CD1 3.98Å; W820-F899 HydrophobicContact CZ2-CD1 3.98Å; W820-F899 AromaticContact CZ2-CD2 3.94Å; W820-F899 HydrophobicContact CZ2-CD2 3.94Å; W820-F899 AromaticContact CZ2-CE1 3.73Å; W820-F899 HydrophobicContact CZ2-CE1 3.73Å; W820-F899 AromaticContact CZ2-CE2 3.69Å; W820-F899 HydrophobicContact CZ2-CE2 3.69Å; W820-F899 HydrophobicContact CZ2-CG 4.08Å; W820-F899 AromaticContact CZ2-CZ 3.58Å; W820-F899 HydrophobicContact CZ2-CZ 3.58Å; Y895-F899 VanDerWaalsContact O-CB 3.27Å; Y895-F899 WeakPolarHBondContact O-CB 3.42Å; Y895-F899 PolarHBondContact O-N 2.82Å; V897-F899 VanDerWaalsContact C-N 3.31Å; V897-F899 PolarHBondContact O-N 3.43Å; F899-F905 HydrophobicContact CB-CD2 4.3Å; F899-F905 HydrophobicContact CB-CE2 3.92Å; F899-F905 HydrophobicContact CB-CZ 4.06Å; F899-F905 AromaticContact CD2-CD1 3.93Å; F899-F905 HydrophobicContact CD2-CD1 3.93Å; F899-F905 AromaticContact CD2-CE1 3.82Å; F899-F905 HydrophobicContact CD2-CE1 3.82Å; F899-F905 HydrophobicContact CD2-CG 4.35Å; F899-F905 HydrophobicContact CD2-CZ 4.15Å
900L90.9Very high88.3Confident0 Ų041.3 Ų41.30%021%0.209CC..Hα-helixtrans-77.8-38.9174.1-67.4179.3000112.6L751 I754 A755 R804 W805 A816 F817 M836 V897 G898L751-L900 HydrophobicContact CB-CD1 4.3Å; L751-L900 HydrophobicContact CD2-CD1 4.06Å; I754-L900 HydrophobicContact CG2-CD2 4.5Å; A755-L900 HydrophobicContact CB-CD1 4.16Å; A755-L900 HydrophobicContact CB-CD2 3.94Å; R804-L900 PolarHBondContact NH2-O 3.4Å; W805-L900 HydrophobicContact CZ2-CD2 4.18Å; W805-L900 PolarHBondContact NE1-O 2.82Å; A816-L900 HydrophobicContact CB-CD2 3.66Å; F817-L900 HydrophobicContact CE1-CD2 4.2Å; F817-L900 HydrophobicContact CE1-CG 4.26Å; F817-L900 HydrophobicContact CE2-CD1 4.27Å; F817-L900 HydrophobicContact CE2-CD2 4.28Å; F817-L900 HydrophobicContact CE2-CG 4.48Å; F817-L900 HydrophobicContact CZ-CD1 3.78Å; F817-L900 HydrophobicContact CZ-CD2 3.75Å; F817-L900 HydrophobicContact CZ-CG 3.67Å; M836-L900 HydrophobicContact CG-CD1 4.3Å; M836-L900 HydrophobicContact SD-CD1 3.79Å; V897-L900 PolarHBondContact O-N 3.4Å; G898-L900 PolarHBondContact O-N 2.72Å
901L89.6Confident88.2Confident1 Ų144.1 Ų44.11%0.00522%0.221CC..Hα-helixtrans-104.3-37.5-164.7-58.6-169000115.3I142 I145 L751 L797 L798 A801 R804 V897 G898I142-L901 HydrophobicContact CG1-CB 4.35Å; I142-L901 HydrophobicContact CG1-CD1 4.28Å; I145-L901 HydrophobicContact CD1-CD1 3.59Å; I145-L901 HydrophobicContact CG2-CD1 4.44Å; L751-L901 HydrophobicContact CD2-CD2 4.16Å; L797-L901 HydrophobicContact CB-CD1 4.5Å; L798-L901 HydrophobicContact CD2-CD1 4.3Å; L798-L901 HydrophobicContact CD2-CD2 3.9Å; L798-L901 HydrophobicContact CG-CD1 4.48Å; L798-L901 HydrophobicContact CG-CD2 4.44Å; A801-L901 HydrophobicContact CB-CD2 3.5Å; R804-L901 PolarHBondContact NH2-O 2.81Å; V897-L901 HydrophobicContact CG1-CD1 3.6Å; V897-L901 HydrophobicContact CG1-CG 3.91Å; V897-L901 WeakPolarHBondContact O-CB 3.34Å; V897-L901 WeakPolarHBondContact O-CG 3.38Å; V897-L901 PolarHBondContact O-N 2.82Å; G898-L901 PolarHBondContact O-N 3.47Å; G898-L901 VanDerWaalsContact O-N 3.15Å
902D84.7Confident87.8Confident29 Ų2944.7 Ų44.716%0.15522%0.224CC..  trans-63.6147.3177.7-71-36.4000111.8I142 R804 G898 F905 Y910I142-D902 VanDerWaalsContact CD1-OD1 3.28Å; I142-D902 WeakPolarHBondContact CD1-OD1 3.38Å; R804-D902 PolarHBondContact NH2-O 2.9Å; G898-D902 VanDerWaalsContact O-CB 3.31Å; G898-D902 WeakPolarHBondContact O-CB 3.47Å; G898-D902 PolarHBondContact O-N 3.33Å; D902-F905 HydrophobicContact CB-CB 4.25Å; D902-F905 HydrophobicContact CB-CD2 4.15Å; D902-Y910 VanDerWaalsContact OD2-CE2 3.27Å; D902-Y910 WeakPolarHBondContact OD2-CE2 3.42Å; D902-Y910 VanDerWaalsContact OD2-CZ 3.32Å; D902-Y910 PolarHBondContact OD2-OH 3.25Å
903N84.6Confident87.3Confident123 Ų12347.5 Ų47.566%0.65824%0.237SC*.SBendtrans-158.7110.9169.9-175.245.9000110.5
904P82.3Confident86.4Confident105 Ų10553.2 Ų53.268%0.68226%0.263SS*.SBendcis-65.4150.4-3.430.1-36.3000112.4
905F87.1Confident85.5Confident57 Ų5756.7 Ų56.725%0.2529%0.286CS..  trans-86131.1174.3171.2-106000111.1Y895 F899 D902 E907 Y910Y895-F905 AromaticContact CD2-CZ 3.94Å; Y895-F905 HydrophobicContact CD2-CZ 3.94Å; Y895-F905 HydrophobicContact CE2-CE1 4.17Å; Y895-F905 AromaticContact CE2-CZ 3.61Å; Y895-F905 HydrophobicContact CE2-CZ 3.61Å; Y895-F905 AromaticContact CZ-CZ 3.95Å; F899-F905 HydrophobicContact CB-CD2 4.3Å; F899-F905 HydrophobicContact CB-CE2 3.92Å; F899-F905 HydrophobicContact CB-CZ 4.06Å; F899-F905 AromaticContact CD2-CD1 3.93Å; F899-F905 HydrophobicContact CD2-CD1 3.93Å; F899-F905 AromaticContact CD2-CE1 3.82Å; F899-F905 HydrophobicContact CD2-CE1 3.82Å; F899-F905 HydrophobicContact CD2-CG 4.35Å; F899-F905 HydrophobicContact CD2-CZ 4.15Å; D902-F905 HydrophobicContact CB-CB 4.25Å; D902-F905 HydrophobicContact CB-CD2 4.15Å; F905-E907 HydrophobicContact CE1-CB 4.03Å; F905-Y910 HydrophobicContact CD2-CE2 4.16Å; F905-Y910 AromaticContact CE2-CD2 3.71Å; F905-Y910 HydrophobicContact CE2-CD2 3.71Å; F905-Y910 AromaticContact CE2-CE2 3.59Å; F905-Y910 HydrophobicContact CE2-CE2 3.59Å; F905-Y910 HydrophobicContact CZ-CD2 4.19Å; F905-Y910 HydrophobicContact CZ-CE2 4.49Å
906E87.7Confident84.5Confident125 Ų12558.3 Ų58.358%0.58430%0.295SS*.  trans-115.197.5179.4-67.2-168.6-18000112.1K908 A909E906-K908 PolarHBondContact O-N 3.47Å; E906-A909 HydrophobicContact CB-CB 4.33Å; E906-A909 WeakPolarHBondContact O-CB 3.36Å; E906-A909 PolarHBondContact O-N 3.11Å
907E85.6Confident83.3Confident73 Ų7359.1 Ų59.134%0.34130%0.299SS..G310 helixtrans-50.8-30.4177.6172162.5165.400113.5R889 F891 Y895 F905 A909R889-E907 IonicContact CZ-OE1 3.08Å; R889-E907 VanDerWaalsContact NH1-CD 3.33Å; R889-E907 IonicContact NH1-OE1 3.87Å; R889-E907 PolarHBondContact NH1-OE1 2.81Å; R889-E907 IonicContact NH1-OE2 2.78Å; R889-E907 PolarHBondContact NH1-OE2 3.18Å; F891-E907 HydrophobicContact CE1-CG 3.66Å; F891-E907 HydrophobicContact CZ-CG 3.88Å; F891-E907 VanDerWaalsContact CZ-OE1 3.29Å; F891-E907 WeakPolarHBondContact CZ-OE1 3.14Å; Y895-E907 HydrophobicContact CE2-CB 4.49Å; Y895-E907 HydrophobicContact CE2-CG 4.1Å; F905-E907 HydrophobicContact CE1-CB 4.03Å; E907-A909 VanDerWaalsContact C-N 3.35Å; E907-A909 PolarHBondContact O-N 2.85Å
908K86.2Confident81.6Confident161 Ų16161.6 Ų61.670%0.732%0.316SS*.G310 helixtrans-66.4-29.9176.8-68.4-176.8-179.8177.60114.1E906 Y910 Q911E906-K908 PolarHBondContact O-N 3.47Å; K908-Y910 PolarHBondContact O-N 2.88Å; K908-Y910 VanDerWaalsContact O-N 3.16Å; K908-Q911 PolarHBondContact O-N 3.17Å
909A84.9Confident79.5Confident34 Ų3465.9 Ų65.928%0.28134%0.339SS..G310 helixtrans-67-15.6-17700000113.3E906 E907E906-A909 HydrophobicContact CB-CB 4.33Å; E906-A909 WeakPolarHBondContact O-CB 3.36Å; E906-A909 PolarHBondContact O-N 3.11Å; E907-A909 VanDerWaalsContact C-N 3.35Å; E907-A909 PolarHBondContact O-N 2.85Å
910Y87.9Confident77.1Confident10 Ų1072.3 Ų72.34%0.03937%0.37CS..G310 helixtrans-117.75.8-173.2-61-71.2000113.6F891 K892 E894 Y895 G898 D902 F905 K908F891-Y910 WeakPolarHBondContact CA-O 3.3Å; F891-Y910 WeakPolarHBondContact CB-O 3.39Å; K892-Y910 PolarHBondContact N-O 2.84Å; E894-Y910 HydrophobicContact CB-CD1 3.72Å; E894-Y910 HydrophobicContact CB-CE1 3.67Å; Y895-Y910 HydrophobicContact CD2-CG 4.41Å; G898-Y910 WeakPolarHBondContact CA-OH 3.4Å; D902-Y910 VanDerWaalsContact OD2-CE2 3.27Å; D902-Y910 WeakPolarHBondContact OD2-CE2 3.42Å; D902-Y910 VanDerWaalsContact OD2-CZ 3.32Å; D902-Y910 PolarHBondContact OD2-OH 3.25Å; F905-Y910 HydrophobicContact CD2-CE2 4.16Å; F905-Y910 AromaticContact CE2-CD2 3.71Å; F905-Y910 HydrophobicContact CE2-CD2 3.71Å; F905-Y910 AromaticContact CE2-CE2 3.59Å; F905-Y910 HydrophobicContact CE2-CE2 3.59Å; F905-Y910 HydrophobicContact CZ-CD2 4.19Å; F905-Y910 HydrophobicContact CZ-CE2 4.49Å; K908-Y910 PolarHBondContact O-N 2.88Å; K908-Y910 VanDerWaalsContact O-N 3.16Å
911Q85.7Confident74.7Confident74 Ų7481 Ų8135%0.34641%0.41SS..BIsolated β-bridgetrans-65.6149174.7-72.1-179.9-10.900110.8F891 K892 K908 F913F891-Q911 HydrophobicContact CD1-CG 4.12Å; F891-Q911 HydrophobicContact CE1-CG 3.91Å; K892-Q911 WeakPolarHBondContact CE-O 3.28Å; K908-Q911 PolarHBondContact O-N 3.17Å; Q911-F913 HydrophobicContact CB-CE2 4.1Å; Q911-F913 HydrophobicContact CB-CZ 4.25Å; Q911-F913 WeakPolarHBondContact O-CD2 3.43Å; Q911-F913 WeakPolarHBondContact O-CE2 3.39Å
912L82.8Confident72.4Confident17 Ų1785.9 Ų85.99%0.08944%0.441CS..  trans-87.8132.2176.3-70.8163.5000110.6I859 V861 C890 K892 F917I859-L912 HydrophobicContact CB-CD1 4.13Å; I859-L912 HydrophobicContact CD1-CD1 3.53Å; I859-L912 HydrophobicContact CG1-CD1 4.36Å; V861-L912 HydrophobicContact CG2-CD2 3.62Å; C890-L912 HydrophobicContact CB-CD1 3.91Å; K892-L912 HydrophobicContact CB-CD2 4.39Å; K892-L912 HydrophobicContact CG-CD2 3.57Å; K892-L912 HydrophobicContact CG-CG 4.24Å; L912-F917 HydrophobicContact CB-CE2 4.2Å; L912-F917 HydrophobicContact CD1-CZ 4.13Å; L912-F917 HydrophobicContact CD2-CE1 4.49Å; L912-F917 HydrophobicContact CD2-CE2 4.07Å; L912-F917 HydrophobicContact CD2-CZ 3.68Å; L912-F917 HydrophobicContact CG-CZ 4.33Å
913F78.8Confident69.9Low109 Ų10991.6 Ų91.648%0.47847%0.47SS..  trans-114.4157.9175.4-62.5-86.6000110.1Q911 T915 D916Q911-F913 HydrophobicContact CB-CE2 4.1Å; Q911-F913 HydrophobicContact CB-CZ 4.25Å; Q911-F913 WeakPolarHBondContact O-CD2 3.43Å; Q911-F913 WeakPolarHBondContact O-CE2 3.39Å; F913-T915 WeakPolarHBondContact CB-OG1 3.16Å; F913-T915 PolarHBondContact O-N 3.49Å; F913-D916 PolarHBondContact N-OD2 2.82Å; F913-D916 VanDerWaalsContact O-CB 3.32Å; F913-D916 WeakPolarHBondContact O-CB 3.16Å; F913-D916 PolarHBondContact O-N 2.94Å
914E70.8Confident67.3Low124 Ų12493.7 Ų93.758%0.57950%0.495SS*.G310 helixtrans-61.2-29.3178.6-171.3158.5-133.900112.5R881 D916 F917R881-E914 IonicContact CZ-OE1 2.75Å; R881-E914 IonicContact NE-OE1 2.68Å; R881-E914 IonicContact NH2-OE1 3.2Å; R881-E914 PolarHBondContact NH2-OE1 3.32Å; E914-D916 VanDerWaalsContact C-N 3.26Å; E914-D916 PolarHBondContact O-N 3.24Å; E914-F917 PolarHBondContact O-N 3.27Å
915T70.6Confident66.5Low101 Ų10193.2 Ų93.262%0.6249%0.485SS*.G310 helixtrans-63-25.1172.9500000114.1F913 F917 S918F913-T915 WeakPolarHBondContact CB-OG1 3.16Å; F913-T915 PolarHBondContact O-N 3.49Å; T915-F917 PolarHBondContact O-N 3.37Å; T915-S918 PolarHBondContact O-OG 3.18Å
916D69.9Low65.4Low39 Ų3995.1 Ų95.121%0.20950%0.498CS..G310 helixtrans-71.7-9.5178.4-61.8-40.8000112.5V861 K892 F913 E914V861-D916 HydrophobicContact CG1-CB 4.08Å; V861-D916 WeakPolarHBondContact CG1-O 3.4Å; K892-D916 WeakPolarHBondContact CE-OD1 3.48Å; K892-D916 WeakPolarHBondContact CE-OD2 3.36Å; K892-D916 IonicContact NZ-OD1 3.94Å; K892-D916 PolarHBondContact NZ-OD1 3.47Å; K892-D916 IonicContact NZ-OD2 2.65Å; K892-D916 PolarHBondContact NZ-OD2 3.49Å; F913-D916 PolarHBondContact N-OD2 2.82Å; F913-D916 VanDerWaalsContact O-CB 3.32Å; F913-D916 WeakPolarHBondContact O-CB 3.16Å; F913-D916 PolarHBondContact O-N 2.94Å; E914-D916 VanDerWaalsContact C-N 3.26Å; E914-D916 PolarHBondContact O-N 3.24Å
917F66.1Low64.2Low18 Ų1893.4 Ų93.48%0.07949%0.493CS..G310 helixtrans-126.60.7-173.3-57.3-65.3000114.4I859 V861 C866 T877 W880 L912 E914 T915I859-F917 HydrophobicContact CG2-CE1 4.12Å; I859-F917 HydrophobicContact CG2-CZ 4.23Å; V861-F917 HydrophobicContact CG2-CE1 4.33Å; C866-F917 WeakPolarHBondContact SG-CD1 3.23Å; T877-F917 HydrophobicContact CG2-CB 4.04Å; W880-F917 HydrophobicContact CB-CZ 4.33Å; W880-F917 AromaticContact CD1-CD2 3.73Å; W880-F917 AromaticContact CD1-CE2 3.39Å; W880-F917 AromaticContact CD1-CZ 3.69Å; W880-F917 HydrophobicContact CD2-CD2 4.3Å; W880-F917 AromaticContact CD2-CE2 3.6Å; W880-F917 HydrophobicContact CD2-CE2 3.6Å; W880-F917 HydrophobicContact CD2-CZ 4.25Å; W880-F917 AromaticContact CE2-CD2 3.59Å; W880-F917 AromaticContact CE2-CE2 3.37Å; W880-F917 HydrophobicContact CE3-CE2 4.4Å; W880-F917 HydrophobicContact CG-CD2 4.37Å; W880-F917 AromaticContact CG-CE2 3.64Å; W880-F917 HydrophobicContact CG-CE2 3.64Å; W880-F917 AromaticContact CG-CZ 3.85Å; W880-F917 HydrophobicContact CG-CZ 3.85Å; W880-F917 HydrophobicContact CZ2-CD2 4.02Å; W880-F917 AromaticContact CZ2-CE2 4Å; W880-F917 HydrophobicContact CZ2-CE2 4Å; W880-F917 AromaticContact NE1-CD2 3.21Å; W880-F917 AromaticContact NE1-CE2 3.24Å; W880-F917 AromaticContact NE1-CG 3.98Å; L912-F917 HydrophobicContact CB-CE2 4.2Å; L912-F917 HydrophobicContact CD1-CZ 4.13Å; L912-F917 HydrophobicContact CD2-CE1 4.49Å; L912-F917 HydrophobicContact CD2-CE2 4.07Å; L912-F917 HydrophobicContact CD2-CZ 3.68Å; L912-F917 HydrophobicContact CG-CZ 4.33Å; E914-F917 PolarHBondContact O-N 3.27Å; T915-F917 PolarHBondContact O-N 3.37Å
918S55Low62.9Low52 Ų5294.6 Ų94.636%0.36450%0.502SS..SBendtrans-88.9129.7174.948.30000111.2T915 E920T915-S918 PolarHBondContact O-OG 3.18Å; S918-E920 PolarHBondContact O-N 2.89Å
919D47Very low61.5Low89 Ų8990.4 Ų90.448%0.47649%0.489SS..  trans-64.8120.8172.8-59.8-75.6000109.7S867 E921 T922S867-D919 PolarHBondContact OG-OD1 3.13Å; D919-E921 PolarHBondContact O-N 2.98Å; D919-T922 PolarHBondContact O-N 3.18Å; D919-T922 PolarHBondContact O-OG1 3.17Å
920E41.3Very low59.9Low177 Ų17794.2 Ų94.283%0.82750%0.503SS*.G310 helixtrans-60.3-15.5-177-73.6-166.7129.300114.3S918 T922 L923S918-E920 PolarHBondContact O-N 2.89Å; E920-T922 PolarHBondContact O-N 2.67Å; E920-L923 PolarHBondContact O-N 2.76Å
921E41.1Very low57.9Low182 Ų182100.2 Ų100.285%0.8554%0.536SS*.G310 helixtrans-63.77.9170.9-62.9-173.4152.400113.7D919D919-E921 PolarHBondContact O-N 2.98Å
922T39.8Very low55.8Low105 Ų105102.2 Ų102.264%0.64455%0.551SS**G310 helixtrans-1194.8176.457.40000114.9D919 E920D919-T922 PolarHBondContact O-N 3.18Å; D919-T922 PolarHBondContact O-OG1 3.17Å; E920-T922 PolarHBondContact O-N 2.67Å
923L33Very low53.5Low148 Ų148109.3 Ų109.378%0.77559%0.59SS**  trans-119.637.8177.1-78.4166.9000113.1E920E920-L923 PolarHBondContact O-N 2.76Å
924S29.3Very low51.2Low168 Ų168109.4 Ų109.4100%1.17560%0.6SS**  trans-144.20169.768.10000111.6

Retrieved 924 of 924 residues in 742 ms (Link to these results)

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