A0A096NQ30_PAPAN Loading...

Protein phosphatase 1G

AlphaFold DB (A0A2I3MEY9), UniProt , Accession A0A096NQ30, Species PAPAN (Papio anubis, Olive baboon), Gene PPM1G, Length 547 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
1M47.8Very low86.7Confident168 Ų16884.6 Ų84.683%0.82850%0.498SS*.  0159.60-69.4169-177.900108.6Y4 D492M1-Y4 HydrophobicContact SD-CE2 4.23Å; M1-D492 WeakPolarHBondContact CE-O 3.45Å
2G61.5Low87.7Confident39 Ų3981.7 Ų81.740%0.40248%0.475SS..PPolyproline II helixtrans-66.4163.1170.400000111.9
3A80.4Confident88.5Confident68 Ų6881.8 Ų81.856%0.56248%0.482SS*.PPolyproline II helixtrans-66139.3176.400000111.5V37A3-V37 HydrophobicContact CB-CG1 4.13Å
4Y92.1Very high89.2Confident58 Ų5879 Ų7923%0.22747%0.468CS..EExtended strand (participates in β ladder)trans-101.8152.7173.4-62.2-55.2000112.1M1 W35 T489 C496M1-Y4 HydrophobicContact SD-CE2 4.23Å; Y4-W35 CarbonylContact C-O 3.54Å; Y4-W35 VanDerWaalsContact CA-O 3.3Å; Y4-W35 WeakPolarHBondContact CA-O 3.5Å; Y4-W35 HydrophobicContact CD1-CB 3.97Å; Y4-W35 HydrophobicContact CG-CB 4.47Å; Y4-T489 HydrophobicContact CD2-CG2 3.91Å; Y4-T489 HydrophobicContact CG-CG2 3.91Å; Y4-C496 HydrophobicContact CD1-CB 4.24Å; Y4-C496 HydrophobicContact CE1-CB 3.55Å; Y4-C496 HydrophobicContact CE2-CB 4.48Å
5L93.8Very high89.8Confident55 Ų5574.9 Ų74.929%0.28845%0.449SS..EExtended strand (participates in β ladder)trans-69.7158.4169.2-63.8175.1000111.3Q7 N9 W35 R36 V37L5-Q7 WeakPolarHBondContact CB-O 3.39Å; L5-Q7 PolarHBondContact O-N 3.25Å; L5-N9 HydrophobicContact CD1-CB 4.3Å; L5-W35 PolarHBondContact N-O 2.81Å; L5-R36 WeakPolarHBondContact CD1-O 3.19Å; L5-R36 WeakPolarHBondContact CG-O 3.41Å; L5-V37 HydrophobicContact CD2-CG1 4.17Å
6S93.3Very high90.3Very high123 Ų12374.1 Ų74.186%0.8644%0.442SS*.EExtended strand (participates in β ladder)trans-73.9-14.9174.256.60000114.1
7Q95.4Very high90.6Very high151 Ų15171.3 Ų71.371%0.70643%0.432SS*.EExtended strand (participates in β ladder)trans-151.1148.1171-64.2-172-700108.1L5L5-Q7 WeakPolarHBondContact CB-O 3.39Å; L5-Q7 PolarHBondContact O-N 3.25Å
8P96.8Very high90.8Very high35 Ų3572.4 Ų72.423%0.22744%0.439CS..EExtended strand (participates in β ladder)trans-74.2142.2-176.628.3-30.3000111.5T10 G34 W35 L485P8-T10 HydrophobicContact CB-CG2 4.16Å; P8-T10 HydrophobicContact CG-CG2 4.04Å; P8-T10 PolarHBondContact O-N 2.87Å; P8-G34 CarbonylContact C-O 3.51Å; P8-G34 WeakPolarHBondContact CA-O 3.39Å; P8-G34 WeakPolarHBondContact CB-O 3.5Å; P8-W35 HydrophobicContact CB-CD2 3.78Å; P8-W35 HydrophobicContact CB-CE3 4.39Å; P8-W35 HydrophobicContact CB-CG 3.91Å; P8-W35 HydrophobicContact CB-CZ2 4.38Å; P8-W35 HydrophobicContact CG-CD2 4.14Å; P8-W35 HydrophobicContact CG-CH2 4.38Å; P8-W35 HydrophobicContact CG-CZ2 3.83Å; P8-L485 HydrophobicContact CB-CD1 4.03Å; P8-L485 HydrophobicContact CB-CD2 4.47Å; P8-L485 HydrophobicContact CG-CD2 4.34Å
9N97.6Very high90.5Very high56 Ų5669.1 Ų69.130%0.29942%0.42SS..EExtended strand (participates in β ladder)trans-8197.2168.3-179.514.1000109.8L5 V11 Q33 G34L5-N9 HydrophobicContact CD1-CB 4.3Å; N9-V11 VanDerWaalsContact C-N 3.35Å; N9-V11 WeakPolarHBondContact OD1-CB 3.41Å; N9-V11 WeakPolarHBondContact OD1-CG2 3.49Å; N9-V11 PolarHBondContact OD1-N 3.15Å; N9-Q33 HydrophobicContact CB-CB 3.98Å; N9-Q33 HydrophobicContact CB-CG 4.09Å; N9-Q33 PolarHBondContact ND2-OE1 3.16Å; N9-G34 PolarHBondContact N-O 3.15Å; N9-G34 PolarHBondContact O-N 2.98Å
10T97.7Very high90.1Very high69 Ų6966.1 Ų66.142%0.42340%0.403SS..EExtended strand (participates in β ladder)trans-92.112.2-178.458.30000114.2P8 K12 M32 L485P8-T10 HydrophobicContact CB-CG2 4.16Å; P8-T10 HydrophobicContact CG-CG2 4.04Å; P8-T10 PolarHBondContact O-N 2.87Å; T10-K12 PolarHBondContact O-N 3.16Å; T10-M32 HydrophobicContact CG2-SD 4.4Å; T10-L485 HydrophobicContact CG2-CD2 3.52Å
11V98Very high89.7Confident109 Ų10969.2 Ų69.266%0.66142%0.424SS*.EExtended strand (participates in β ladder)trans-68.6121.4171.6179.20000108.9N9N9-V11 VanDerWaalsContact C-N 3.35Å; N9-V11 WeakPolarHBondContact OD1-CB 3.41Å; N9-V11 WeakPolarHBondContact OD1-CG2 3.49Å; N9-V11 PolarHBondContact OD1-N 3.15Å
12K97.9Very high91.4Very high49 Ų4970.6 Ų70.621%0.21342%0.421CS..EExtended strand (participates in β ladder)trans-99136.8-177.8-58.4-165.9173.973.60111.7T10 A31 M32 E478 L481 D482T10-K12 PolarHBondContact O-N 3.16Å; K12-A31 CarbonylContact C-O 3.59Å; K12-A31 WeakPolarHBondContact CA-O 3.4Å; K12-M32 HydrophobicContact CD-SD 4.36Å; K12-M32 VanDerWaalsContact CE-SD 3.54Å; K12-M32 HydrophobicContact CG-CB 4.24Å; K12-M32 HydrophobicContact CG-CG 4.27Å; K12-M32 HydrophobicContact CG-SD 4.02Å; K12-E478 HydrophobicContact CD-CB 3.8Å; K12-E478 HydrophobicContact CD-CG 3.68Å; K12-E478 WeakPolarHBondContact CE-O 3.29Å; K12-L481 HydrophobicContact CD-CD2 4.28Å; K12-D482 IonicContact NZ-OD1 2.76Å; K12-D482 PolarHBondContact NZ-OD1 3.46Å; K12-D482 IonicContact NZ-OD2 3.22Å; K12-D482 PolarHBondContact NZ-OD2 2.84Å
13C98.1Very high92.5Very high84 Ų8469.9 Ų69.957%0.56841%0.407SS*.EExtended strand (participates in β ladder)trans-101102.5167.5-168.40000109S30 A31C13-S30 CarbonylContact O-C 3.55Å; C13-S30 WeakPolarHBondContact O-CA 3.41Å; C13-A31 HydrophobicContact CB-CB 4.45Å; C13-A31 PolarHBondContact N-O 2.66Å; C13-A31 PolarHBondContact O-N 2.87Å
14S98.5Very high93Very high42 Ų4269.1 Ų69.129%0.29440%0.397SS..EExtended strand (participates in β ladder)trans-122.6150.3-166.9-42.50000112.3F29 S30 E478S14-F29 WeakPolarHBondContact CA-O 3.36Å; S14-S30 PolarHBondContact OG-OG 2.95Å; S14-E478 VanDerWaalsContact CB-OE1 3.25Å; S14-E478 WeakPolarHBondContact CB-OE1 3.22Å; S14-E478 PolarHBondContact OG-OE1 3.08Å
15G98.1Very high93.1Very high17 Ų1766.7 Ų66.718%0.17539%0.387CS..EExtended strand (participates in β ladder)trans-166.4156.2174.500000114.6G28 F29G15-G28 CarbonylContact O-C 3.58Å; G15-G28 WeakPolarHBondContact O-CA 3.33Å; G15-F29 PolarHBondContact N-O 2.77Å; G15-F29 WeakPolarHBondContact O-CD1 2.99Å; G15-F29 PolarHBondContact O-N 2.85Å
16D97.7Very high93.3Very high63 Ų6364.8 Ų64.834%0.33738%0.378SS..EExtended strand (participates in β ladder)trans-120.9154.9173.7-61.7-94.9000110.6Y27 L473 S474D16-Y27 CarbonylContact C-O 3.56Å; D16-Y27 WeakPolarHBondContact CA-O 3.21Å; D16-L473 WeakPolarHBondContact OD1-CA 3.17Å; D16-L473 PolarHBondContact OD1-N 3.02Å; D16-S474 PolarHBondContact OD1-N 3.39Å; D16-S474 VanDerWaalsContact OD2-CB 3.25Å; D16-S474 WeakPolarHBondContact OD2-CB 3.41Å; D16-S474 PolarHBondContact OD2-OG 2.99Å
17G95.7Very high93.5Very high26 Ų2660.3 Ų60.327%0.26834%0.343SS..EExtended strand (participates in β ladder)trans-157.8-176.517100000112.9P26 Y27G17-P26 WeakPolarHBondContact O-CA 3.15Å; G17-Y27 PolarHBondContact N-O 2.77Å; G17-Y27 PolarHBondContact O-N 3.16Å
18V93.7Very high93.6Very high92 Ų9253.1 Ų53.156%0.55831%0.309SS*.EExtended strand (participates in β ladder)trans-142.3140.4173.964.20000110L25 P26V18-L25 CarbonylContact C-O 3.41Å; V18-L25 WeakPolarHBondContact CA-O 3.32Å; V18-P26 HydrophobicContact CG2-CG 4.41Å
19G86.1Confident93.7Very high9 Ų953 Ų539%0.09331%0.305CS..  trans-61.1168.5176.200000114.4L23 L25G19-L23 CarbonylContact C-O 3.46Å; G19-L23 VanDerWaalsContact CA-O 3.32Å; G19-L23 WeakPolarHBondContact CA-O 3.44Å; G19-L25 PolarHBondContact N-O 2.94Å
20A82.4Confident93.8Very high8 Ų850.4 Ų50.47%0.06629%0.291CS..  trans-47.5153.5178.800000112.8R22 L23 P24 E48A20-R22 PolarHBondContact O-N 3.04Å; A20-L23 PolarHBondContact N-O 3.33Å; A20-L23 CarbonylContact O-C 3.05Å; A20-L23 PolarHBondContact O-N 3.18Å; A20-P24 WeakPolarHBondContact O-CA 3.44Å; A20-E48 VanDerWaalsContact CB-CD 3.46Å; A20-E48 HydrophobicContact CB-CG 3.56Å
21P82.3Confident93.8Very high132 Ų13247.5 Ų47.586%0.85727%0.274SS*.THydrogen-bonded Turntrans-57.2-12.1171.1-26.435.5000115.5
22R82.3Confident93.8Very high198 Ų19842.4 Ų42.475%0.74724%0.243SC*.THydrogen-bonded Turntrans-92.4-25.3171.3-63-168.9-175.393.73.2114.3A20A20-R22 PolarHBondContact O-N 3.04Å
23L85.9Confident93.9Very high23 Ų2341.4 Ų41.412%0.1224%0.24CC..SBendtrans-139.366.7-177.5-173.760.8000108.3G19 A20 L25 A54 I337G19-L23 CarbonylContact C-O 3.46Å; G19-L23 VanDerWaalsContact CA-O 3.32Å; G19-L23 WeakPolarHBondContact CA-O 3.44Å; A20-L23 PolarHBondContact N-O 3.33Å; A20-L23 CarbonylContact O-C 3.05Å; A20-L23 PolarHBondContact O-N 3.18Å; L23-L25 VanDerWaalsContact C-N 3.34Å; L23-L25 HydrophobicContact CD1-CD1 4.31Å; L23-L25 HydrophobicContact CD1-CG 4.34Å; L23-L25 HydrophobicContact CD2-CD1 4.11Å; L23-L25 HydrophobicContact CG-CD1 3.83Å; L23-L25 HydrophobicContact CG-CG 4.04Å; L23-L25 PolarHBondContact O-N 3.09Å; L23-A54 HydrophobicContact CD2-CB 3.98Å; L23-I337 HydrophobicContact CD1-CG2 4.16Å; L23-I337 HydrophobicContact CD2-CG2 4.16Å
24P90.1Very high93.8Very high53 Ų5337.4 Ų37.434%0.34421%0.212SC..  trans-77.385.6-170.731.6-36000110.4A20 P26 P508A20-P24 WeakPolarHBondContact O-CA 3.44Å; P24-P26 VanDerWaalsContact O-CD 3.31Å; P24-P26 WeakPolarHBondContact O-CD 3.35Å; P24-P508 HydrophobicContact CB-CG 4.46Å; P24-P508 HydrophobicContact CG-CG 4.1Å
25L94.4Very high93.8Very high6 Ų636.4 Ų36.43%0.03120%0.202CC..  trans-98.8101.1176.9-62.3169.8000109.4V18 G19 L23 Y27 A54 F56 I337 I504 C505 F506V18-L25 CarbonylContact C-O 3.41Å; V18-L25 WeakPolarHBondContact CA-O 3.32Å; G19-L25 PolarHBondContact N-O 2.94Å; L23-L25 VanDerWaalsContact C-N 3.34Å; L23-L25 HydrophobicContact CD1-CD1 4.31Å; L23-L25 HydrophobicContact CD1-CG 4.34Å; L23-L25 HydrophobicContact CD2-CD1 4.11Å; L23-L25 HydrophobicContact CG-CD1 3.83Å; L23-L25 HydrophobicContact CG-CG 4.04Å; L23-L25 PolarHBondContact O-N 3.09Å; L25-Y27 PolarHBondContact O-N 3.47Å; L25-A54 HydrophobicContact CD1-CB 3.98Å; L25-F56 HydrophobicContact CD1-CE2 4.21Å; L25-I337 HydrophobicContact CD1-CB 4.32Å; L25-I337 HydrophobicContact CD1-CD1 3.65Å; L25-I337 HydrophobicContact CD1-CG2 4.25Å; L25-I337 HydrophobicContact CD2-CD1 4.5Å; L25-I504 HydrophobicContact CB-CG2 4Å; L25-I504 HydrophobicContact CD1-CG2 4.44Å; L25-C505 WeakPolarHBondContact CA-O 3.48Å; L25-C505 WeakPolarHBondContact CD2-O 3.31Å; L25-F506 HydrophobicContact CD2-CD1 4.19Å
26P96.6Very high93.6Very high15 Ų1538.7 Ų38.710%0.09721%0.206CC..EExtended strand (participates in β ladder)trans-61.7131.3168.4-19.232.2000109.4G17 V18 P24 L473 C505 R509G17-P26 WeakPolarHBondContact O-CA 3.15Å; V18-P26 HydrophobicContact CG2-CG 4.41Å; P24-P26 VanDerWaalsContact O-CD 3.31Å; P24-P26 WeakPolarHBondContact O-CD 3.35Å; P26-L473 HydrophobicContact CB-CD1 4.27Å; P26-C505 HydrophobicContact CB-CB 4.31Å; P26-C505 WeakPolarHBondContact CD-O 3.41Å; P26-C505 HydrophobicContact CG-CB 4.35Å; P26-C505 PolarHBondContact O-N 2.56Å; P26-R509 HydrophobicContact CB-CG 4.17Å; P26-R509 HydrophobicContact CG-CB 4.3Å; P26-R509 HydrophobicContact CG-CG 4.08Å
27Y98.1Very high93.5Very high30 Ų3039.6 Ų39.612%0.11821%0.213CC..EExtended strand (participates in β ladder)trans-135.7158.3176.167-91.7000111.1D16 G17 L25 C45 P47 F56 L473 I503D16-Y27 CarbonylContact C-O 3.56Å; D16-Y27 WeakPolarHBondContact CA-O 3.21Å; G17-Y27 PolarHBondContact N-O 2.77Å; G17-Y27 PolarHBondContact O-N 3.16Å; L25-Y27 PolarHBondContact O-N 3.47Å; Y27-C45 HydrophobicContact CD2-CB 3.94Å; Y27-C45 HydrophobicContact CE2-CB 3.48Å; Y27-C45 VanDerWaalsContact CE2-CB 3.48Å; Y27-P47 HydrophobicContact CE1-CB 4.09Å; Y27-P47 HydrophobicContact CE1-CG 4.04Å; Y27-F56 AromaticContact CD1-CE1 3.75Å; Y27-F56 HydrophobicContact CD1-CE1 3.75Å; Y27-F56 AromaticContact CD1-CZ 3.81Å; Y27-F56 HydrophobicContact CD1-CZ 3.81Å; Y27-F56 HydrophobicContact CD2-CE1 4Å; Y27-F56 HydrophobicContact CE1-CE1 4.29Å; Y27-F56 HydrophobicContact CE1-CZ 4.41Å; Y27-F56 AromaticContact CG-CE1 3.58Å; Y27-F56 HydrophobicContact CG-CE1 3.58Å; Y27-F56 HydrophobicContact CG-CZ 4.04Å; Y27-L473 VanDerWaalsContact C-CD1 3.5Å; Y27-I503 CarbonylContact C-O 3.47Å; Y27-I503 WeakPolarHBondContact CA-O 3.48Å; Y27-I503 WeakPolarHBondContact CB-O 3.38Å
28G98.4Very high93.4Very high0 Ų040.4 Ų40.40%021%0.214CC..EExtended strand (participates in β ladder)trans-155.4150.216600000111.2G15 I503G15-G28 CarbonylContact O-C 3.58Å; G15-G28 WeakPolarHBondContact O-CA 3.33Å; G28-I503 PolarHBondContact N-O 2.98Å; G28-I503 PolarHBondContact O-N 2.63Å
29F98.8Very high93.6Very high33 Ų3338.3 Ų38.315%0.14520%0.199CC..EExtended strand (participates in β ladder)trans-132.7160.7-176.966.8-89.9000110.7S14 G15 H43 C501 I502S14-F29 WeakPolarHBondContact CA-O 3.36Å; G15-F29 PolarHBondContact N-O 2.77Å; G15-F29 WeakPolarHBondContact O-CD1 2.99Å; G15-F29 PolarHBondContact O-N 2.85Å; F29-H43 AromaticContact CD2-CE1 3.78Å; F29-H43 AromaticContact CD2-NE2 3.43Å; F29-H43 WeakPolarHBondContact CD2-NE2 3.5Å; F29-H43 AromaticContact CE2-CE1 3.86Å; F29-H43 AromaticContact CE2-NE2 3.43Å; F29-H43 WeakPolarHBondContact CE2-NE2 3.48Å; F29-H43 AromaticContact CG-NE2 3.97Å; F29-H43 AromaticContact CZ-NE2 3.96Å; F29-C501 WeakPolarHBondContact CA-O 2.97Å; F29-C501 WeakPolarHBondContact CB-O 3.42Å; F29-I502 HydrophobicContact CB-CB 4.38Å; F29-I502 HydrophobicContact CB-CG1 4.08Å; F29-I502 HydrophobicContact CB-CG2 4.22Å
30S98.8Very high94.1Very high0 Ų038.9 Ų38.90%020%0.2CC..EExtended strand (participates in β ladder)trans-147.8145.9159.9173.80000109.4C13 S14 L481 C501C13-S30 CarbonylContact O-C 3.55Å; C13-S30 WeakPolarHBondContact O-CA 3.41Å; S14-S30 PolarHBondContact OG-OG 2.95Å; S30-L481 WeakPolarHBondContact OG-CD2 3.48Å; S30-C501 PolarHBondContact N-O 3.28Å; S30-C501 VanDerWaalsContact N-O 3.08Å; S30-C501 PolarHBondContact O-N 2.97Å
31A98.6Very high94.8Very high8 Ų839.1 Ų39.17%0.06620%0.2CC..EExtended strand (participates in β ladder)trans-129.8137.5177.800000110.1K12 C13 M39 M499 T500K12-A31 CarbonylContact C-O 3.59Å; K12-A31 WeakPolarHBondContact CA-O 3.4Å; C13-A31 HydrophobicContact CB-CB 4.45Å; C13-A31 PolarHBondContact N-O 2.66Å; C13-A31 PolarHBondContact O-N 2.87Å; A31-M39 HydrophobicContact CB-CE 3.7Å; A31-M499 CarbonylContact C-O 3.55Å; A31-M499 VanDerWaalsContact CA-O 3.3Å; A31-M499 WeakPolarHBondContact CA-O 3.28Å; A31-T500 HydrophobicContact CB-CG2 4.17Å; A31-T500 WeakPolarHBondContact CB-OG1 3.18Å
32M98.4Very high95.6Very high2 Ų233.2 Ų33.21%0.0116%0.162CC..EExtended strand (participates in β ladder)trans-147.4139.5-175.2-175.6175.772.800111.1T10 K12 L481 L485 M499T10-M32 HydrophobicContact CG2-SD 4.4Å; K12-M32 HydrophobicContact CD-SD 4.36Å; K12-M32 VanDerWaalsContact CE-SD 3.54Å; K12-M32 HydrophobicContact CG-CB 4.24Å; K12-M32 HydrophobicContact CG-CG 4.27Å; K12-M32 HydrophobicContact CG-SD 4.02Å; M32-L481 HydrophobicContact CB-CD2 3.86Å; M32-L481 HydrophobicContact CB-CG 4.4Å; M32-L481 HydrophobicContact CE-CB 3.97Å; M32-L481 HydrophobicContact CE-CG 4.47Å; M32-L485 HydrophobicContact CE-CB 4.09Å; M32-L485 HydrophobicContact CE-CD1 4.3Å; M32-L485 HydrophobicContact CE-CD2 4.16Å; M32-L485 HydrophobicContact CE-CG 4.42Å; M32-M499 HydrophobicContact CE-CE 3.6Å; M32-M499 HydrophobicContact CE-SD 4.01Å; M32-M499 PolarHBondContact N-O 3.02Å; M32-M499 PolarHBondContact O-N 2.94Å
33Q98.1Very high96.4Very high29 Ų2925.9 Ų25.914%0.13614%0.136CC..EExtended strand (participates in β ladder)trans-74.7-31.1-174.6172.8172.7-5.400114.4N9 R36 V37 S38 M39 N498N9-Q33 HydrophobicContact CB-CB 3.98Å; N9-Q33 HydrophobicContact CB-CG 4.09Å; N9-Q33 PolarHBondContact ND2-OE1 3.16Å; Q33-R36 PolarHBondContact NE2-O 3.01Å; Q33-V37 PolarHBondContact NE2-O 3Å; Q33-S38 WeakPolarHBondContact CG-O 3.36Å; Q33-M39 VanDerWaalsContact CA-SD 3.53Å; Q33-M39 HydrophobicContact CB-CB 4.22Å; Q33-M39 HydrophobicContact CB-SD 4.06Å; Q33-M39 HydrophobicContact CG-CB 4.4Å; Q33-N498 PolarHBondContact O-ND2 3Å
34G97.3Very high97Very high0 Ų025.5 Ų25.50%013%0.134CC..EExtended strand (participates in β ladder)trans66.3-135.1-178.600000111.8P8 N9P8-G34 CarbonylContact C-O 3.51Å; P8-G34 WeakPolarHBondContact CA-O 3.39Å; P8-G34 WeakPolarHBondContact CB-O 3.5Å; N9-G34 PolarHBondContact N-O 3.15Å; N9-G34 PolarHBondContact O-N 2.98Å
35W97.4Very high97.4Very high20 Ų2024.2 Ų24.28%0.07613%0.126CC..EExtended strand (participates in β ladder)trans-95.8-9.9-174.6-66.586.9000114.6Y4 L5 P8 A486 P487 T489 C496Y4-W35 CarbonylContact C-O 3.54Å; Y4-W35 VanDerWaalsContact CA-O 3.3Å; Y4-W35 WeakPolarHBondContact CA-O 3.5Å; Y4-W35 HydrophobicContact CD1-CB 3.97Å; Y4-W35 HydrophobicContact CG-CB 4.47Å; L5-W35 PolarHBondContact N-O 2.81Å; P8-W35 HydrophobicContact CB-CD2 3.78Å; P8-W35 HydrophobicContact CB-CE3 4.39Å; P8-W35 HydrophobicContact CB-CG 3.91Å; P8-W35 HydrophobicContact CB-CZ2 4.38Å; P8-W35 HydrophobicContact CG-CD2 4.14Å; P8-W35 HydrophobicContact CG-CH2 4.38Å; P8-W35 HydrophobicContact CG-CZ2 3.83Å; W35-A486 PolarHBondContact NE1-O 3.37Å; W35-P487 WeakPolarHBondContact CZ2-O 3.39Å; W35-T489 HydrophobicContact CB-CG2 3.96Å; W35-T489 HydrophobicContact CD2-CG2 3.43Å; W35-T489 VanDerWaalsContact CD2-CG2 3.43Å; W35-T489 HydrophobicContact CE3-CG2 3.37Å; W35-T489 HydrophobicContact CG-CG2 3.75Å; W35-T489 HydrophobicContact CH2-CG2 4.48Å; W35-T489 HydrophobicContact CZ3-CG2 3.92Å; W35-C496 HydrophobicContact CB-CB 4.14Å; W35-C496 WeakPolarHBondContact CB-O 3.27Å; W35-C496 HydrophobicContact CG-CB 4.47Å; W35-C496 PolarHBondContact N-O 2.86Å
36R95.1Very high97.6Very high66 Ų6625.9 Ų25.925%0.24914%0.135CC..EExtended strand (participates in β ladder)trans-61.4151.3175.4-64.1-63.6-168.3137.91112L5 Q33 S38 C496 D497 N498L5-R36 WeakPolarHBondContact CD1-O 3.19Å; L5-R36 WeakPolarHBondContact CG-O 3.41Å; Q33-R36 PolarHBondContact NE2-O 3.01Å; R36-S38 VanDerWaalsContact C-N 3.26Å; R36-S38 WeakPolarHBondContact CB-O 3.49Å; R36-S38 PolarHBondContact O-N 2.65Å; R36-C496 PolarHBondContact N-O 3.04Å; R36-D497 WeakPolarHBondContact CG-OD1 3.34Å; R36-D497 IonicContact CZ-OD1 2.67Å; R36-D497 VanDerWaalsContact CZ-OD1 3.3Å; R36-D497 IonicContact CZ-OD2 3.26Å; R36-D497 VanDerWaalsContact NE-CG 3.3Å; R36-D497 IonicContact NE-OD1 3.07Å; R36-D497 PolarHBondContact NE-OD1 3.32Å; R36-D497 IonicContact NE-OD2 3.88Å; R36-D497 PolarHBondContact NE-OD2 2.84Å; R36-D497 VanDerWaalsContact NH2-CG 3.35Å; R36-D497 IonicContact NH2-OD1 3.22Å; R36-D497 PolarHBondContact NH2-OD1 3.37Å; R36-D497 IonicContact NH2-OD2 2.76Å; R36-D497 PolarHBondContact NH2-OD2 2.59Å; R36-N498 WeakPolarHBondContact CB-ND2 3.46Å
37V94.5Very high97.4Very high82 Ų8226.6 Ų26.650%0.49714%0.139SC..SBendtrans-65.3-27.5175.2-75.60000113.9A3 L5 Q33A3-V37 HydrophobicContact CB-CG1 4.13Å; L5-V37 HydrophobicContact CD2-CG1 4.17Å; Q33-V37 PolarHBondContact NE2-O 3Å
38S94.7Very high97.2Very high42 Ų4230.5 Ų30.529%0.29416%0.159SC..SBendtrans-125162.5-176.225.70000111.2Q33 R36 E40 N498Q33-S38 WeakPolarHBondContact CG-O 3.36Å; R36-S38 VanDerWaalsContact C-N 3.26Å; R36-S38 WeakPolarHBondContact CB-O 3.49Å; R36-S38 PolarHBondContact O-N 2.65Å; S38-E40 PolarHBondContact OG-OE2 2.94Å; S38-N498 PolarHBondContact O-ND2 3.08Å
39M96.7Very high97.1Very high49 Ų4931.1 Ų31.124%0.24116%0.162CC..  trans-107.797.3164.3-176.766.5172.700107.1A31 Q33 D41 N498 T500A31-M39 HydrophobicContact CB-CE 3.7Å; Q33-M39 VanDerWaalsContact CA-SD 3.53Å; Q33-M39 HydrophobicContact CB-CB 4.22Å; Q33-M39 HydrophobicContact CB-SD 4.06Å; Q33-M39 HydrophobicContact CG-CB 4.4Å; M39-D41 HydrophobicContact CE-CB 3.47Å; M39-D41 VanDerWaalsContact CE-CB 3.47Å; M39-D41 HydrophobicContact SD-CB 4Å; M39-N498 WeakPolarHBondContact CA-OD1 3.34Å; M39-N498 HydrophobicContact SD-CB 3.98Å; M39-T500 WeakPolarHBondContact CE-OG1 3.37Å
40E96.8Very high96.9Very high21 Ų2131.5 Ų31.510%0.09817%0.165CC..  trans-91.8-20.1-175.9-67.9161.277.300111.8S38 G61 H62 G63 G64 E65 A68 N498S38-E40 PolarHBondContact OG-OE2 2.94Å; E40-G61 VanDerWaalsContact CB-O 3.23Å; E40-G61 WeakPolarHBondContact CB-O 3.34Å; E40-H62 WeakPolarHBondContact OE1-CA 3Å; E40-G63 PolarHBondContact OE1-N 3.31Å; E40-G64 PolarHBondContact OE1-N 2.63Å; E40-E65 HydrophobicContact CG-CB 4.49Å; E40-A68 WeakPolarHBondContact O-CB 3.5Å; E40-N498 PolarHBondContact N-OD1 2.81Å
41D98.4Very high96.5Very high13 Ų1335.4 Ų35.47%0.0719%0.192CC..  trans-53.6135.2170.7-101.8-3.3000114.4M39 Y59 D60 C441 N498 M499 T500M39-D41 HydrophobicContact CE-CB 3.47Å; M39-D41 VanDerWaalsContact CE-CB 3.47Å; M39-D41 HydrophobicContact SD-CB 4Å; D41-Y59 WeakPolarHBondContact CA-O 2.94Å; D41-D60 WeakPolarHBondContact OD1-CA 3.46Å; D41-C441 PolarHBondContact OD2-SG 2.94Å; D41-C441 VanDerWaalsContact OD2-SG 3.33Å; D41-N498 HydrophobicContact CB-CB 4.27Å; D41-M499 PolarHBondContact OD2-N 2.64Å; D41-T500 WeakPolarHBondContact CB-OG1 3.17Å; D41-T500 VanDerWaalsContact CG-OG1 3.24Å; D41-T500 WeakPolarHBondContact OD2-CB 3.11Å; D41-T500 PolarHBondContact OD2-N 3.38Å; D41-T500 PolarHBondContact OD2-OG1 2.81Å
42A98.6Very high96.2Very high7 Ų741 Ų416%0.05822%0.217CC..EExtended strand (participates in β ladder)trans-132.2165.8165.100000112.4Y59 A68 L69 A72A42-Y59 HydrophobicContact CB-CD2 4.16Å; A42-Y59 PolarHBondContact N-O 2.83Å; A42-Y59 PolarHBondContact O-N 2.74Å; A42-A68 HydrophobicContact CB-CB 3.76Å; A42-A68 WeakPolarHBondContact CB-O 3.08Å; A42-L69 HydrophobicContact CB-CD2 4.17Å; A42-A72 HydrophobicContact CB-CB 3.9Å
43H98.8Very high96.1Very high45 Ų4541 Ų4121%0.20822%0.218CC..EExtended strand (participates in β ladder)trans-153.5165.2178.363-94.5000114.2F29 S57 V58 T500 I502F29-H43 AromaticContact CD2-CE1 3.78Å; F29-H43 AromaticContact CD2-NE2 3.43Å; F29-H43 WeakPolarHBondContact CD2-NE2 3.5Å; F29-H43 AromaticContact CE2-CE1 3.86Å; F29-H43 AromaticContact CE2-NE2 3.43Å; F29-H43 WeakPolarHBondContact CE2-NE2 3.48Å; F29-H43 AromaticContact CG-NE2 3.97Å; F29-H43 AromaticContact CZ-NE2 3.96Å; H43-S57 CarbonylContact C-O 3.5Å; H43-S57 VanDerWaalsContact CA-O 3.26Å; H43-S57 WeakPolarHBondContact CA-O 3.4Å; H43-S57 VanDerWaalsContact CB-O 3.26Å; H43-S57 WeakPolarHBondContact CB-O 3.46Å; H43-V58 HydrophobicContact CB-CG2 4.37Å; H43-T500 HydrophobicContact CB-CG2 3.91Å; H43-I502 HydrophobicContact CB-CD1 4.3Å
44N98.7Very high96Very high15 Ų1539.7 Ų39.78%0.0821%0.211CC..EExtended strand (participates in β ladder)trans-127.2134.6167.9-62.6147.1000111.8I46 F56 S57 Y59 A72N44-I46 HydrophobicContact CB-CD1 3.91Å; N44-I46 HydrophobicContact CB-CG1 4.1Å; N44-F56 WeakPolarHBondContact O-CA 3.17Å; N44-S57 WeakPolarHBondContact CB-OG 3.48Å; N44-S57 PolarHBondContact N-O 2.9Å; N44-S57 PolarHBondContact O-N 3.35Å; N44-S57 PolarHBondContact OD1-OG 2.77Å; N44-Y59 PolarHBondContact OD1-OH 2.87Å; N44-A72 WeakPolarHBondContact ND2-CA 3.14Å; N44-A72 PolarHBondContact ND2-O 2.97Å
45C98.3Very high96.1Very high25 Ų2539.7 Ų39.717%0.16921%0.211CC..EExtended strand (participates in β ladder)trans-121.689.3163.1-73.60000108.8Y27 P47 F56Y27-C45 HydrophobicContact CD2-CB 3.94Å; Y27-C45 HydrophobicContact CE2-CB 3.48Å; Y27-C45 VanDerWaalsContact CE2-CB 3.48Å; C45-P47 WeakPolarHBondContact O-CD 3.44Å; C45-F56 HydrophobicContact CB-CD1 4.1Å; C45-F56 HydrophobicContact CB-CE1 4.06Å
46I97.8Very high96.2Very high42 Ų4238.7 Ų38.722%0.21521%0.207CC..EExtended strand (participates in β ladder)trans-112.786.8-173.6-59.9169.3000108.9N44 E48 L49 A54 M55 P76N44-I46 HydrophobicContact CB-CD1 3.91Å; N44-I46 HydrophobicContact CB-CG1 4.1Å; I46-E48 PolarHBondContact O-N 2.84Å; I46-L49 HydrophobicContact CG2-CB 4.06Å; I46-L49 HydrophobicContact CG2-CD1 4.36Å; I46-A54 WeakPolarHBondContact O-CA 3.39Å; I46-M55 CarbonylContact C-O 3.53Å; I46-M55 WeakPolarHBondContact CA-O 3.47Å; I46-M55 HydrophobicContact CB-CB 4.28Å; I46-M55 HydrophobicContact CD1-SD 4.49Å; I46-M55 PolarHBondContact N-O 3.05Å; I46-M55 PolarHBondContact O-N 2.97Å; I46-P76 HydrophobicContact CD1-CB 3.74Å; I46-P76 HydrophobicContact CD1-CG 3.46Å; I46-P76 VanDerWaalsContact CD1-CG 3.46Å
47P93.6Very high96.3Very high30 Ų3035.6 Ų35.620%0.19520%0.196CC..SBendtrans-64-20.9-178.420.8-32.2000115.2Y27 C45Y27-P47 HydrophobicContact CE1-CB 4.09Å; Y27-P47 HydrophobicContact CE1-CG 4.04Å; C45-P47 WeakPolarHBondContact O-CD 3.44Å
48E94.2Very high96.5Very high112 Ų11231.7 Ų31.752%0.52317%0.172SC..  trans-135.881.1177.2-73-173.9-9800109A20 I46A20-E48 VanDerWaalsContact CB-CD 3.46Å; A20-E48 HydrophobicContact CB-CG 3.56Å; I46-E48 PolarHBondContact O-N 2.84Å
49L95.7Very high96.7Very high12 Ų1229.7 Ų29.76%0.06316%0.158CC..SBendtrans-69.2-42170.7178.866.4000109.7I46 T53 M55 P76 I79 K80 Y85 L336I46-L49 HydrophobicContact CG2-CB 4.06Å; I46-L49 HydrophobicContact CG2-CD1 4.36Å; L49-T53 WeakPolarHBondContact CB-O 3.41Å; L49-T53 HydrophobicContact CD2-CG2 4.42Å; L49-T53 PolarHBondContact N-O 3.4Å; L49-M55 HydrophobicContact CB-CB 4.19Å; L49-M55 HydrophobicContact CD1-SD 4.28Å; L49-M55 HydrophobicContact CD2-CB 3.99Å; L49-M55 HydrophobicContact CD2-SD 4.2Å; L49-M55 HydrophobicContact CG-CB 4.47Å; L49-P76 HydrophobicContact CD1-CB 3.85Å; L49-I79 HydrophobicContact CD2-CG2 4.48Å; L49-K80 HydrophobicContact CD1-CD 3.72Å; L49-K80 HydrophobicContact CD1-CG 4.05Å; L49-K80 HydrophobicContact CD2-CG 4.31Å; L49-K80 HydrophobicContact CG-CD 3.91Å; L49-K80 HydrophobicContact CG-CG 4.01Å; L49-K80 WeakPolarHBondContact O-CD 3.36Å; L49-Y85 HydrophobicContact CD2-CE2 4.32Å; L49-L336 HydrophobicContact CD2-CD2 3.92Å
50D93.8Very high96.8Very high42 Ų4228.1 Ų28.123%0.22515%0.151CC..SBendtrans-142.1-168.6163.966.738.9000110.2E52 T53 Y85 R338D50-E52 PolarHBondContact O-N 2.89Å; D50-E52 VanDerWaalsContact O-N 3.15Å; D50-E52 PolarHBondContact OD1-N 3.44Å; D50-T53 PolarHBondContact N-O 2.82Å; D50-T53 VanDerWaalsContact OD1-CB 3.22Å; D50-T53 WeakPolarHBondContact OD1-CB 3.44Å; D50-T53 PolarHBondContact OD1-N 3.35Å; D50-T53 PolarHBondContact OD1-OG1 3.43Å; D50-T53 PolarHBondContact OD2-OG1 3.22Å; D50-Y85 WeakPolarHBondContact OD2-CE1 3.26Å; D50-Y85 PolarHBondContact OD2-OH 3.05Å; D50-R338 IonicContact OD2-CZ 3.99Å; D50-R338 IonicContact OD2-NH2 2.86Å; D50-R338 PolarHBondContact OD2-NH2 2.93Å
51S90.9Very high96.8Very high81 Ų8127.4 Ų27.457%0.56615%0.149SC*.SBendtrans-66.6-10.9-176.252.60000116.2
52E91.9Very high96.7Very high127 Ų12728.4 Ų28.459%0.59315%0.154SC*.SBendtrans-133.1-5.2-176-56.8-167.9143.700113.8D50 R338D50-E52 PolarHBondContact O-N 2.89Å; D50-E52 VanDerWaalsContact O-N 3.15Å; D50-E52 PolarHBondContact OD1-N 3.44Å; E52-R338 HydrophobicContact CB-CG 4.29Å
53T96.1Very high96.4Very high2 Ų230.3 Ų30.31%0.01217%0.173CC..EExtended strand (participates in β ladder)trans-128.2129.7-166.1-39.50000111.8L49 D50 L336 I337 R338L49-T53 WeakPolarHBondContact CB-O 3.41Å; L49-T53 HydrophobicContact CD2-CG2 4.42Å; L49-T53 PolarHBondContact N-O 3.4Å; D50-T53 PolarHBondContact N-O 2.82Å; D50-T53 VanDerWaalsContact OD1-CB 3.22Å; D50-T53 WeakPolarHBondContact OD1-CB 3.44Å; D50-T53 PolarHBondContact OD1-N 3.35Å; D50-T53 PolarHBondContact OD1-OG1 3.43Å; D50-T53 PolarHBondContact OD2-OG1 3.22Å; T53-L336 HydrophobicContact CG2-CB 4.49Å; T53-I337 WeakPolarHBondContact CA-O 3.33Å; T53-R338 HydrophobicContact CG2-CB 4.3Å; T53-R338 VanDerWaalsContact OG1-CZ 3.31Å; T53-R338 PolarHBondContact OG1-NE 2.93Å; T53-R338 PolarHBondContact OG1-NH2 2.94Å
54A97.6Very high96.2Very high0 Ų028.7 Ų28.70%017%0.169CC..EExtended strand (participates in β ladder)trans-102.3152.3164.600000110.5L23 L25 I46 F56 L336 I337L23-A54 HydrophobicContact CD2-CB 3.98Å; L25-A54 HydrophobicContact CD1-CB 3.98Å; I46-A54 WeakPolarHBondContact O-CA 3.39Å; A54-F56 HydrophobicContact CB-CE2 3.91Å; A54-L336 WeakPolarHBondContact O-CA 3.36Å; A54-I337 PolarHBondContact N-O 2.84Å; A54-I337 PolarHBondContact O-N 3.28Å
55M98.4Very high96Very high0 Ų032.2 Ų32.20%019%0.185CC..EExtended strand (participates in β ladder)trans-131.1130.8175.4173177.5169.200110.2I46 L49 P76 I79 V334 A335 L336I46-M55 CarbonylContact C-O 3.53Å; I46-M55 WeakPolarHBondContact CA-O 3.47Å; I46-M55 HydrophobicContact CB-CB 4.28Å; I46-M55 HydrophobicContact CD1-SD 4.49Å; I46-M55 PolarHBondContact N-O 3.05Å; I46-M55 PolarHBondContact O-N 2.97Å; L49-M55 HydrophobicContact CB-CB 4.19Å; L49-M55 HydrophobicContact CD1-SD 4.28Å; L49-M55 HydrophobicContact CD2-CB 3.99Å; L49-M55 HydrophobicContact CD2-SD 4.2Å; L49-M55 HydrophobicContact CG-CB 4.47Å; M55-P76 HydrophobicContact CE-CB 4.34Å; M55-P76 HydrophobicContact CE-CG 3.8Å; M55-P76 HydrophobicContact SD-CB 3.9Å; M55-P76 HydrophobicContact SD-CG 3.97Å; M55-I79 HydrophobicContact CE-CD1 3.89Å; M55-I79 HydrophobicContact SD-CD1 3.95Å; M55-V334 HydrophobicContact CE-CG1 3.92Å; M55-V334 HydrophobicContact CG-CG1 4.34Å; M55-A335 WeakPolarHBondContact CA-O 3.5Å; M55-L336 HydrophobicContact CB-CD2 3.69Å; M55-L336 HydrophobicContact CG-CD2 3.84Å; M55-L336 HydrophobicContact SD-CD2 4.28Å
56F98.8Very high96Very high0 Ų031.1 Ų31.10%018%0.178CC..EExtended strand (participates in β ladder)trans-130.5138.6171.7-62.5-88.4000108.9L25 Y27 N44 C45 A54 A335 M437 I439 I502 I504L25-F56 HydrophobicContact CD1-CE2 4.21Å; Y27-F56 AromaticContact CD1-CE1 3.75Å; Y27-F56 HydrophobicContact CD1-CE1 3.75Å; Y27-F56 AromaticContact CD1-CZ 3.81Å; Y27-F56 HydrophobicContact CD1-CZ 3.81Å; Y27-F56 HydrophobicContact CD2-CE1 4Å; Y27-F56 HydrophobicContact CE1-CE1 4.29Å; Y27-F56 HydrophobicContact CE1-CZ 4.41Å; Y27-F56 AromaticContact CG-CE1 3.58Å; Y27-F56 HydrophobicContact CG-CE1 3.58Å; Y27-F56 HydrophobicContact CG-CZ 4.04Å; N44-F56 WeakPolarHBondContact O-CA 3.17Å; C45-F56 HydrophobicContact CB-CD1 4.1Å; C45-F56 HydrophobicContact CB-CE1 4.06Å; A54-F56 HydrophobicContact CB-CE2 3.91Å; F56-A335 PolarHBondContact N-O 3.34Å; F56-A335 PolarHBondContact O-N 2.87Å; F56-M437 HydrophobicContact CB-CE 4.29Å; F56-M437 HydrophobicContact CD2-CE 3.97Å; F56-M437 HydrophobicContact CG-CE 4.38Å; F56-I439 HydrophobicContact CB-CD1 3.74Å; F56-I502 HydrophobicContact CD1-CG2 4.27Å; F56-I504 HydrophobicContact CB-CD1 4.19Å; F56-I504 HydrophobicContact CB-CG1 4.4Å; F56-I504 HydrophobicContact CD1-CD1 4.17Å; F56-I504 HydrophobicContact CD1-CG1 3.68Å; F56-I504 HydrophobicContact CD2-CG1 3.94Å; F56-I504 HydrophobicContact CD2-CG2 4.36Å; F56-I504 HydrophobicContact CE1-CG1 3.85Å; F56-I504 HydrophobicContact CE2-CG1 4.09Å; F56-I504 HydrophobicContact CE2-CG2 3.87Å; F56-I504 HydrophobicContact CG-CD1 4.07Å; F56-I504 HydrophobicContact CG-CG1 3.74Å; F56-I504 HydrophobicContact CZ-CG1 4.05Å; F56-I504 HydrophobicContact CZ-CG2 4.03Å
57S98.9Very high96Very high0 Ų029.1 Ų29.10%017%0.167CC..EExtended strand (participates in β ladder)trans-155.9154.6178.853.50000113.1H43 N44 Y59 V333 I502H43-S57 CarbonylContact C-O 3.5Å; H43-S57 VanDerWaalsContact CA-O 3.26Å; H43-S57 WeakPolarHBondContact CA-O 3.4Å; H43-S57 VanDerWaalsContact CB-O 3.26Å; H43-S57 WeakPolarHBondContact CB-O 3.46Å; N44-S57 WeakPolarHBondContact CB-OG 3.48Å; N44-S57 PolarHBondContact N-O 2.9Å; N44-S57 PolarHBondContact O-N 3.35Å; N44-S57 PolarHBondContact OD1-OG 2.77Å; S57-Y59 WeakPolarHBondContact OG-CE2 3.25Å; S57-Y59 PolarHBondContact OG-OH 3.11Å; S57-V333 WeakPolarHBondContact CA-O 3.37Å; S57-V333 WeakPolarHBondContact CB-O 3.13Å; S57-I502 WeakPolarHBondContact O-CD1 3.37Å
58V98.9Very high96.2Very high0 Ų027.7 Ų27.70%016%0.158CC..EExtended strand (participates in β ladder)trans-123.5143168.1177.50000107.5H43 V333 I439 C441 T500 I502H43-V58 HydrophobicContact CB-CG2 4.37Å; V58-V333 HydrophobicContact CB-CG1 3.95Å; V58-V333 PolarHBondContact N-O 2.76Å; V58-V333 VanDerWaalsContact N-O 3.17Å; V58-V333 WeakPolarHBondContact O-CG1 3.26Å; V58-V333 PolarHBondContact O-N 3.22Å; V58-V333 VanDerWaalsContact O-N 3.1Å; V58-I439 HydrophobicContact CB-CG2 4.05Å; V58-I439 HydrophobicContact CG2-CB 4.28Å; V58-I439 HydrophobicContact CG2-CG2 3.73Å; V58-C441 HydrophobicContact CG1-CB 4.01Å; V58-T500 HydrophobicContact CG1-CG2 4.07Å; V58-T500 HydrophobicContact CG2-CG2 4.07Å; V58-I502 HydrophobicContact CG2-CD1 3.77Å; V58-I502 HydrophobicContact CG2-CG1 3.95Å
59Y98.8Very high96.4Very high0 Ų025.4 Ų25.40%015%0.149CC..EExtended strand (participates in β ladder)trans-127.4103.1177.5-46.7-79.4000106.8D41 A42 N44 S57 C71 A72 L75 T330 T331 A332 V334D41-Y59 WeakPolarHBondContact CA-O 2.94Å; A42-Y59 HydrophobicContact CB-CD2 4.16Å; A42-Y59 PolarHBondContact N-O 2.83Å; A42-Y59 PolarHBondContact O-N 2.74Å; N44-Y59 PolarHBondContact OD1-OH 2.87Å; S57-Y59 WeakPolarHBondContact OG-CE2 3.25Å; S57-Y59 PolarHBondContact OG-OH 3.11Å; Y59-C71 HydrophobicContact CD1-CB 3.72Å; Y59-C71 HydrophobicContact CD2-CB 4.47Å; Y59-C71 HydrophobicContact CE1-CB 3.76Å; Y59-C71 HydrophobicContact CG-CB 4.09Å; Y59-A72 HydrophobicContact CD2-CB 3.89Å; Y59-A72 VanDerWaalsContact CE2-CA 3.46Å; Y59-A72 HydrophobicContact CE2-CB 3.68Å; Y59-L75 HydrophobicContact CE1-CD2 3.86Å; Y59-T330 WeakPolarHBondContact CB-OG1 3.08Å; Y59-T331 VanDerWaalsContact CA-O 3.29Å; Y59-T331 WeakPolarHBondContact CA-O 3.41Å; Y59-A332 HydrophobicContact CD1-CB 3.81Å; Y59-A332 HydrophobicContact CE1-CB 4.11Å; Y59-V334 HydrophobicContact CE1-CG2 4.32Å
60D98.4Very high96.6Very high16 Ų1625.2 Ų25.29%0.08615%0.148CC..  trans-76.9120.1175.1-159.9-30.5000107.4D41 T330 T331 C441 D442D41-D60 WeakPolarHBondContact OD1-CA 3.46Å; D60-T330 CarbonylContact O-C 3.44Å; D60-T330 WeakPolarHBondContact O-CA 3.47Å; D60-T330 WeakPolarHBondContact O-CB 3.41Å; D60-T330 PolarHBondContact O-OG1 3.42Å; D60-T331 HydrophobicContact CB-CG2 3.95Å; D60-T331 WeakPolarHBondContact CB-OG1 3.48Å; D60-T331 PolarHBondContact N-OG1 3.49Å; D60-T331 PolarHBondContact O-N 2.84Å; D60-C441 HydrophobicContact CB-CB 3.95Å; D60-C441 VanDerWaalsContact OD2-CB 3.25Å; D60-C441 WeakPolarHBondContact OD2-CB 3.43Å; D60-D442 PolarHBondContact OD2-N 2.76Å
61G97.4Very high96.8Very high7 Ų723.2 Ų23.27%0.07214%0.137CC..EExtended strand (participates in β ladder)trans-102.6143.1-170.100000112.6E40E40-G61 VanDerWaalsContact CB-O 3.23Å; E40-G61 WeakPolarHBondContact CB-O 3.34Å
62H95.2Very high97.2Very high34 Ų3420.2 Ų20.216%0.15712%0.117CC..EExtended strand (participates in β ladder)trans-142.5133.3179.564.7-97.2000113.3E40 G64 S328 G329 D403E40-H62 WeakPolarHBondContact OE1-CA 3Å; H62-G64 PolarHBondContact O-N 3Å; H62-S328 CarbonylContact O-C 3.52Å; H62-S328 VanDerWaalsContact O-CA 3.3Å; H62-S328 WeakPolarHBondContact O-CA 3.36Å; H62-G329 VanDerWaalsContact CE1-C 3.41Å; H62-G329 PolarHBondContact N-O 3.02Å; H62-G329 PolarHBondContact O-N 2.92Å; H62-D403 IonicContact CD2-OD1 3.62Å; H62-D403 IonicContact CE1-OD1 3.6Å; H62-D403 IonicContact CE1-OD2 3.9Å; H62-D403 PolarHBondContact CE1-OD2 2.76Å; H62-D403 IonicContact NE2-OD1 2.7Å; H62-D403 PolarHBondContact NE2-OD1 3.11Å; H62-D403 IonicContact NE2-OD2 2.76Å; H62-D403 PolarHBondContact NE2-OD2 3.27Å
63G92.6Very high97.5Very high46 Ų4619.6 Ų19.647%0.47411%0.113SC..SBendtrans78.77.4-177.300000113.6E40 S328E40-G63 PolarHBondContact OE1-N 3.31Å; G63-S328 WeakPolarHBondContact O-CB 3.2Å
64G93.6Very high97.6Very high12 Ų1222.7 Ų22.712%0.12413%0.125CC..  trans149.8141.4-173.700000113.2E40 H62 E66E40-G64 PolarHBondContact OE1-N 2.63Å; H62-G64 PolarHBondContact O-N 3Å; G64-E66 VanDerWaalsContact C-OE2 3.3Å; G64-E66 VanDerWaalsContact CA-OE2 3.23Å; G64-E66 WeakPolarHBondContact CA-OE2 3.04Å; G64-E66 PolarHBondContact O-N 2.68Å
65E95.6Very high97.7Very high89 Ų8922.7 Ų22.742%0.41613%0.125SC..SBendtrans-73.2-15.8178.166.1179.4134.100112.8E40 V67 A68 L69E40-E65 HydrophobicContact CG-CB 4.49Å; E65-V67 PolarHBondContact O-N 3.33Å; E65-A68 PolarHBondContact O-N 3.42Å; E65-L69 HydrophobicContact CB-CD1 4.31Å; E65-L69 HydrophobicContact CG-CD1 3.89Å; E65-L69 WeakPolarHBondContact O-CB 3.45Å; E65-L69 WeakPolarHBondContact O-CG 3.3Å; E65-L69 PolarHBondContact O-N 3.26Å; E65-L69 WeakPolarHBondContact OE2-CD1 3.37Å
66E97.4Very high97.7Very high2 Ų223.1 Ų23.11%0.00913%0.127CC..Hα-helixtrans-69-31.4-164.668.3-76.7176.700114.6G64 Y70 L114 I117 A118 P324 S328G64-E66 VanDerWaalsContact C-OE2 3.3Å; G64-E66 VanDerWaalsContact CA-OE2 3.23Å; G64-E66 WeakPolarHBondContact CA-OE2 3.04Å; G64-E66 PolarHBondContact O-N 2.68Å; E66-Y70 WeakPolarHBondContact O-CB 3.41Å; E66-Y70 PolarHBondContact O-N 2.95Å; E66-L114 HydrophobicContact CB-CD2 4.2Å; E66-L114 HydrophobicContact CG-CB 3.98Å; E66-L114 HydrophobicContact CG-CD2 3.98Å; E66-I117 HydrophobicContact CB-CB 3.75Å; E66-I117 HydrophobicContact CB-CG2 3.59Å; E66-A118 HydrophobicContact CB-CB 4.19Å; E66-A118 HydrophobicContact CG-CB 4.08Å; E66-A118 WeakPolarHBondContact OE2-CB 3.25Å; E66-P324 HydrophobicContact CG-CB 4Å; E66-P324 WeakPolarHBondContact OE1-CB 3.38Å; E66-S328 WeakPolarHBondContact OE1-CB 3.47Å; E66-S328 PolarHBondContact OE1-OG 3.22Å
67V98.3Very high97.7Very high0 Ų027.6 Ų27.60%015%0.151CC..Hα-helixtrans-74.9-42.4178.8-168.20000110.3E65 Y70 C71 L105 T330 I401E65-V67 PolarHBondContact O-N 3.33Å; V67-Y70 PolarHBondContact O-N 3.35Å; V67-C71 WeakPolarHBondContact O-CB 3.39Å; V67-C71 PolarHBondContact O-N 2.85Å; V67-C71 PolarHBondContact O-SG 3.09Å; V67-C71 VanDerWaalsContact O-SG 3.37Å; V67-L105 HydrophobicContact CG1-CD1 3.7Å; V67-L105 HydrophobicContact CG1-CD2 4.45Å; V67-T330 HydrophobicContact CB-CG2 4.27Å; V67-T330 HydrophobicContact CG1-CG2 3.79Å; V67-I401 HydrophobicContact CG1-CG2 4.29Å
68A98.6Very high97.6Very high0 Ų028.1 Ų28.10%015%0.154CC..Hα-helixtrans-60.6-46.1173.700000111.4E40 A42 E65 C71 A72 T330E40-A68 WeakPolarHBondContact O-CB 3.5Å; A42-A68 HydrophobicContact CB-CB 3.76Å; A42-A68 WeakPolarHBondContact CB-O 3.08Å; E65-A68 PolarHBondContact O-N 3.42Å; A68-C71 WeakPolarHBondContact O-CB 3.34Å; A68-C71 PolarHBondContact O-N 3.09Å; A68-A72 WeakPolarHBondContact O-CB 3.38Å; A68-A72 PolarHBondContact O-N 3.23Å; A68-T330 WeakPolarHBondContact CB-OG1 3.2Å
69L98.4Very high97.6Very high64 Ų6428.1 Ų28.134%0.33515%0.154SC..Hα-helixtrans-64.5-39.4174.9-71.2-179.7000112.9A42 E65 A72 K73 I117A42-L69 HydrophobicContact CB-CD2 4.17Å; E65-L69 HydrophobicContact CB-CD1 4.31Å; E65-L69 HydrophobicContact CG-CD1 3.89Å; E65-L69 WeakPolarHBondContact O-CB 3.45Å; E65-L69 WeakPolarHBondContact O-CG 3.3Å; E65-L69 PolarHBondContact O-N 3.26Å; E65-L69 WeakPolarHBondContact OE2-CD1 3.37Å; L69-A72 PolarHBondContact O-N 3.27Å; L69-K73 WeakPolarHBondContact O-CB 3.38Å; L69-K73 PolarHBondContact O-N 2.91Å; L69-I117 HydrophobicContact CB-CG2 4.17Å; L69-I117 HydrophobicContact CD1-CG2 3.61Å
70Y98.6Very high97.6Very high7 Ų731 Ų313%0.02717%0.166CC..Hα-helixtrans-63.8-43.6175.1-171.2-84.3000111.4E66 V67 K73 Y74 I101 L105 V110 L114E66-Y70 WeakPolarHBondContact O-CB 3.41Å; E66-Y70 PolarHBondContact O-N 2.95Å; V67-Y70 PolarHBondContact O-N 3.35Å; Y70-K73 PolarHBondContact O-N 2.82Å; Y70-Y74 AromaticContact CD1-CD2 3.94Å; Y70-Y74 HydrophobicContact CD1-CD2 3.94Å; Y70-Y74 AromaticContact CD2-CD2 3.53Å; Y70-Y74 HydrophobicContact CD2-CD2 3.53Å; Y70-Y74 AromaticContact CD2-CE2 3.57Å; Y70-Y74 HydrophobicContact CD2-CE2 3.57Å; Y70-Y74 AromaticContact CE1-CD2 3.73Å; Y70-Y74 HydrophobicContact CE1-CD2 3.73Å; Y70-Y74 HydrophobicContact CE1-CG 4.34Å; Y70-Y74 AromaticContact CE2-CD2 3.29Å; Y70-Y74 HydrophobicContact CE2-CD2 3.29Å; Y70-Y74 AromaticContact CE2-CE2 3.25Å; Y70-Y74 HydrophobicContact CE2-CE2 3.25Å; Y70-Y74 HydrophobicContact CE2-CG 4.42Å; Y70-Y74 AromaticContact CG-CD2 3.82Å; Y70-Y74 HydrophobicContact CG-CD2 3.82Å; Y70-Y74 HydrophobicContact CG-CE2 4.32Å; Y70-Y74 AromaticContact CZ-CD2 3.38Å; Y70-Y74 AromaticContact CZ-CE2 3.77Å; Y70-Y74 PolarHBondContact O-N 3.16Å; Y70-I101 HydrophobicContact CD1-CD1 3.99Å; Y70-I101 HydrophobicContact CD1-CG1 4.09Å; Y70-I101 HydrophobicContact CE1-CD1 4.09Å; Y70-I101 HydrophobicContact CE1-CG1 3.86Å; Y70-L105 HydrophobicContact CD1-CD2 3.69Å; Y70-L105 HydrophobicContact CE1-CD2 4.04Å; Y70-L105 HydrophobicContact CG-CD2 4.12Å; Y70-V110 HydrophobicContact CD2-CG1 4.15Å; Y70-V110 HydrophobicContact CE1-CG1 4.29Å; Y70-V110 HydrophobicContact CE2-CB 4.43Å; Y70-V110 HydrophobicContact CE2-CG1 3.52Å; Y70-V110 HydrophobicContact CE2-CG2 4.21Å; Y70-V110 VanDerWaalsContact OH-CG2 3.31Å; Y70-V110 WeakPolarHBondContact OH-CG2 3.48Å; Y70-L114 HydrophobicContact CD2-CD2 4.05Å; Y70-L114 HydrophobicContact CG-CD2 4.06Å
71C98.8Very high97.6Very high0 Ų035.6 Ų35.60%019%0.191CC..Hα-helixtrans-58.4-52172.6-76.80000111.7Y59 V67 A68 K73 Y74 L75 I101 T330Y59-C71 HydrophobicContact CD1-CB 3.72Å; Y59-C71 HydrophobicContact CD2-CB 4.47Å; Y59-C71 HydrophobicContact CE1-CB 3.76Å; Y59-C71 HydrophobicContact CG-CB 4.09Å; V67-C71 WeakPolarHBondContact O-CB 3.39Å; V67-C71 PolarHBondContact O-N 2.85Å; V67-C71 PolarHBondContact O-SG 3.09Å; V67-C71 VanDerWaalsContact O-SG 3.37Å; A68-C71 WeakPolarHBondContact O-CB 3.34Å; A68-C71 PolarHBondContact O-N 3.09Å; C71-K73 PolarHBondContact O-N 3.26Å; C71-Y74 PolarHBondContact O-N 2.96Å; C71-L75 WeakPolarHBondContact O-CB 3.33Å; C71-L75 PolarHBondContact O-N 3.37Å; C71-I101 HydrophobicContact CB-CD1 4.44Å; C71-T330 HydrophobicContact CB-CG2 4.46Å
72A98.6Very high97.6Very high19 Ų1937 Ų3716%0.15720%0.196CC..Hα-helixtrans-60.2-28.8177.900000113.6A42 N44 Y59 A68 L69A42-A72 HydrophobicContact CB-CB 3.9Å; N44-A72 WeakPolarHBondContact ND2-CA 3.14Å; N44-A72 PolarHBondContact ND2-O 2.97Å; Y59-A72 HydrophobicContact CD2-CB 3.89Å; Y59-A72 VanDerWaalsContact CE2-CA 3.46Å; Y59-A72 HydrophobicContact CE2-CB 3.68Å; A68-A72 WeakPolarHBondContact O-CB 3.38Å; A68-A72 PolarHBondContact O-N 3.23Å; L69-A72 PolarHBondContact O-N 3.27Å
73K98.5Very high97.8Very high114 Ų11442.4 Ų42.450%0.49622%0.219SC..Hα-helixtrans-82.9-41.3179.4-176.1176.6177.4-1750113.6L69 Y70 C71 E113L69-K73 WeakPolarHBondContact O-CB 3.38Å; L69-K73 PolarHBondContact O-N 2.91Å; Y70-K73 PolarHBondContact O-N 2.82Å; C71-K73 PolarHBondContact O-N 3.26Å; K73-E113 IonicContact NZ-OE1 2.76Å; K73-E113 PolarHBondContact NZ-OE1 2.9Å
74Y98.6Very high98Very high67 Ų6740.5 Ų40.526%0.26320%0.198SC..Hα-helixtrans-116.9-23.9-166.5-66.3-65.4000115.7Y70 C71 P76 D77 I78 E113Y70-Y74 AromaticContact CD1-CD2 3.94Å; Y70-Y74 HydrophobicContact CD1-CD2 3.94Å; Y70-Y74 AromaticContact CD2-CD2 3.53Å; Y70-Y74 HydrophobicContact CD2-CD2 3.53Å; Y70-Y74 AromaticContact CD2-CE2 3.57Å; Y70-Y74 HydrophobicContact CD2-CE2 3.57Å; Y70-Y74 AromaticContact CE1-CD2 3.73Å; Y70-Y74 HydrophobicContact CE1-CD2 3.73Å; Y70-Y74 HydrophobicContact CE1-CG 4.34Å; Y70-Y74 AromaticContact CE2-CD2 3.29Å; Y70-Y74 HydrophobicContact CE2-CD2 3.29Å; Y70-Y74 AromaticContact CE2-CE2 3.25Å; Y70-Y74 HydrophobicContact CE2-CE2 3.25Å; Y70-Y74 HydrophobicContact CE2-CG 4.42Å; Y70-Y74 AromaticContact CG-CD2 3.82Å; Y70-Y74 HydrophobicContact CG-CD2 3.82Å; Y70-Y74 HydrophobicContact CG-CE2 4.32Å; Y70-Y74 AromaticContact CZ-CD2 3.38Å; Y70-Y74 AromaticContact CZ-CE2 3.77Å; Y70-Y74 PolarHBondContact O-N 3.16Å; C71-Y74 PolarHBondContact O-N 2.96Å; Y74-P76 VanDerWaalsContact C-CD 3.45Å; Y74-D77 PolarHBondContact O-N 2.83Å; Y74-I78 WeakPolarHBondContact O-CG1 3.25Å; Y74-I78 PolarHBondContact O-N 3.3Å; Y74-E113 WeakPolarHBondContact CE2-OE1 3.06Å; Y74-E113 WeakPolarHBondContact CE2-OE2 3.09Å; Y74-E113 VanDerWaalsContact OH-CD 3.24Å; Y74-E113 PolarHBondContact OH-OE1 3.11Å; Y74-E113 PolarHBondContact OH-OE2 3.36Å
75L98.7Very high98.2Very high0 Ų040.8 Ų40.80%020%0.196CC..Hα-helixtrans-58.6-39.5-179.7-172.557000113.6Y59 C71 D77 I78 I79 A97 F98 I101 V334Y59-L75 HydrophobicContact CE1-CD2 3.86Å; C71-L75 WeakPolarHBondContact O-CB 3.33Å; C71-L75 PolarHBondContact O-N 3.37Å; L75-D77 VanDerWaalsContact C-N 3.32Å; L75-D77 PolarHBondContact O-N 3.37Å; L75-I78 PolarHBondContact O-N 2.9Å; L75-I79 HydrophobicContact CD1-CD1 4.19Å; L75-I79 HydrophobicContact CD1-CG1 4.02Å; L75-I79 HydrophobicContact CD2-CD1 4.47Å; L75-I79 HydrophobicContact CG-CD1 3.83Å; L75-I79 HydrophobicContact CG-CG1 4.19Å; L75-I79 WeakPolarHBondContact O-CB 3.36Å; L75-I79 VanDerWaalsContact O-CG1 3.3Å; L75-I79 WeakPolarHBondContact O-CG1 3.17Å; L75-I79 PolarHBondContact O-N 3.34Å; L75-A97 HydrophobicContact CD1-CB 4.04Å; L75-F98 HydrophobicContact CD2-CD2 4.48Å; L75-F98 HydrophobicContact CD2-CE2 4.16Å; L75-I101 HydrophobicContact CB-CD1 3.83Å; L75-I101 HydrophobicContact CD1-CB 4.3Å; L75-I101 HydrophobicContact CD1-CD1 4.3Å; L75-I101 HydrophobicContact CD1-CG2 3.98Å; L75-V334 HydrophobicContact CD2-CG2 3.93Å
76P98.6Very high98.3Very high9 Ų942.9 Ų42.96%0.05820%0.204CC..Hα-helixtrans-57.7-40.4177.3-25.434.1000113.7I46 L49 M55 Y74 K80I46-P76 HydrophobicContact CD1-CB 3.74Å; I46-P76 HydrophobicContact CD1-CG 3.46Å; I46-P76 VanDerWaalsContact CD1-CG 3.46Å; L49-P76 HydrophobicContact CD1-CB 3.85Å; M55-P76 HydrophobicContact CE-CB 4.34Å; M55-P76 HydrophobicContact CE-CG 3.8Å; M55-P76 HydrophobicContact SD-CB 3.9Å; M55-P76 HydrophobicContact SD-CG 3.97Å; Y74-P76 VanDerWaalsContact C-CD 3.45Å; P76-K80 WeakPolarHBondContact O-CE 3.47Å; P76-K80 PolarHBondContact O-N 2.87Å
77D98.4Very high98.3Very high93 Ų9347.1 Ų47.150%0.49722%0.224SC..Hα-helixtrans-75.9-39.5177.2-79.5-20.6000111.7Y74 L75 I79 K80 D81Y74-D77 PolarHBondContact O-N 2.83Å; L75-D77 VanDerWaalsContact C-N 3.32Å; L75-D77 PolarHBondContact O-N 3.37Å; D77-I79 VanDerWaalsContact C-N 3.32Å; D77-I79 PolarHBondContact O-N 3.41Å; D77-K80 PolarHBondContact O-N 3.43Å; D77-K80 WeakPolarHBondContact OD1-CE 3.5Å; D77-K80 IonicContact OD1-NZ 3.6Å; D77-K80 PolarHBondContact OD1-NZ 3.3Å; D77-D81 WeakPolarHBondContact O-CB 3.31Å; D77-D81 PolarHBondContact O-N 2.93Å
78I98.6Very high98.2Very high12 Ų1249.2 Ų49.26%0.06225%0.245CC..Hα-helixtrans-59.8-41.8175.3-68.7166.9000111.2Y74 L75 D81 Q82 A97 A100 I101 K104Y74-I78 WeakPolarHBondContact O-CG1 3.25Å; Y74-I78 PolarHBondContact O-N 3.3Å; L75-I78 PolarHBondContact O-N 2.9Å; I78-D81 PolarHBondContact O-N 3.13Å; I78-Q82 WeakPolarHBondContact O-CG 3.5Å; I78-Q82 PolarHBondContact O-N 3.24Å; I78-Q82 PolarHBondContact O-NE2 3.22Å; I78-A97 HydrophobicContact CG2-CB 4.04Å; I78-A100 HydrophobicContact CG2-CB 4.21Å; I78-I101 HydrophobicContact CD1-CB 3.83Å; I78-I101 HydrophobicContact CD1-CD1 3.89Å; I78-I101 HydrophobicContact CD1-CG1 3.71Å; I78-K104 HydrophobicContact CD1-CD 3.89Å
79I98.6Very high98.1Very high0 Ų054.5 Ų54.50%027%0.268CS..Hα-helixtrans-57.4-53.1173.7-73.1166.6000110.7L49 M55 L75 D77 D81 Q82 Y85 L94 A97 V334 L336L49-I79 HydrophobicContact CD2-CG2 4.48Å; M55-I79 HydrophobicContact CE-CD1 3.89Å; M55-I79 HydrophobicContact SD-CD1 3.95Å; L75-I79 HydrophobicContact CD1-CD1 4.19Å; L75-I79 HydrophobicContact CD1-CG1 4.02Å; L75-I79 HydrophobicContact CD2-CD1 4.47Å; L75-I79 HydrophobicContact CG-CD1 3.83Å; L75-I79 HydrophobicContact CG-CG1 4.19Å; L75-I79 WeakPolarHBondContact O-CB 3.36Å; L75-I79 VanDerWaalsContact O-CG1 3.3Å; L75-I79 WeakPolarHBondContact O-CG1 3.17Å; L75-I79 PolarHBondContact O-N 3.34Å; D77-I79 VanDerWaalsContact C-N 3.32Å; D77-I79 PolarHBondContact O-N 3.41Å; I79-D81 PolarHBondContact O-N 2.68Å; I79-Q82 PolarHBondContact O-N 3.02Å; I79-Y85 HydrophobicContact CG2-CD2 3.53Å; I79-Y85 HydrophobicContact CG2-CE2 3.57Å; I79-Y85 WeakPolarHBondContact O-CB 3.26Å; I79-L94 HydrophobicContact CD1-CD2 3.76Å; I79-L94 HydrophobicContact CG1-CD2 4.2Å; I79-A97 HydrophobicContact CB-CB 4.31Å; I79-A97 HydrophobicContact CG1-CB 3.52Å; I79-V334 HydrophobicContact CD1-CG1 4.18Å; I79-L336 HydrophobicContact CG2-CD1 4.24Å
80K98.1Very high98.1Very high60 Ų6051.7 Ų51.726%0.26125%0.254SS..Hα-helixtrans-61.5-32.8179.5-73.6176.6-64.5-171.10112.6L49 P76 D77 Q82 Y85 K86L49-K80 HydrophobicContact CD1-CD 3.72Å; L49-K80 HydrophobicContact CD1-CG 4.05Å; L49-K80 HydrophobicContact CD2-CG 4.31Å; L49-K80 HydrophobicContact CG-CD 3.91Å; L49-K80 HydrophobicContact CG-CG 4.01Å; L49-K80 WeakPolarHBondContact O-CD 3.36Å; P76-K80 WeakPolarHBondContact O-CE 3.47Å; P76-K80 PolarHBondContact O-N 2.87Å; D77-K80 PolarHBondContact O-N 3.43Å; D77-K80 WeakPolarHBondContact OD1-CE 3.5Å; D77-K80 IonicContact OD1-NZ 3.6Å; D77-K80 PolarHBondContact OD1-NZ 3.3Å; K80-Q82 VanDerWaalsContact C-N 3.32Å; K80-Y85 HydrophobicContact CB-CE1 4.48Å; K80-Y85 HydrophobicContact CG-CE1 4.07Å; K80-K86 VanDerWaalsContact O-CE 3.29Å; K80-K86 WeakPolarHBondContact O-CE 3.42Å
81D98.1Very high98.1Very high113 Ų11354.9 Ų54.960%0.60427%0.268SS*.Hα-helixtrans-77-16.6-178.3-106.7-28.2000114.1D77 I78 I79 K86D77-D81 WeakPolarHBondContact O-CB 3.31Å; D77-D81 PolarHBondContact O-N 2.93Å; I78-D81 PolarHBondContact O-N 3.13Å; I79-D81 PolarHBondContact O-N 2.68Å; D81-K86 WeakPolarHBondContact O-CE 3.39Å; D81-K86 PolarHBondContact O-NZ 2.94Å; D81-K86 IonicContact OD1-NZ 2.66Å; D81-K86 PolarHBondContact OD1-NZ 2.8Å
82Q98.4Very high98Very high36 Ų3658.7 Ų58.717%0.16829%0.285CS..SBendtrans-58.9139.8178.1-64.5-50.6-26.200113.1I78 I79 K80 A84 Y85 K86 A93 D96 A97I78-Q82 WeakPolarHBondContact O-CG 3.5Å; I78-Q82 PolarHBondContact O-N 3.24Å; I78-Q82 PolarHBondContact O-NE2 3.22Å; I79-Q82 PolarHBondContact O-N 3.02Å; K80-Q82 VanDerWaalsContact C-N 3.32Å; Q82-A84 PolarHBondContact O-N 2.86Å; Q82-Y85 WeakPolarHBondContact O-CB 3.41Å; Q82-Y85 PolarHBondContact O-N 3.32Å; Q82-Y85 VanDerWaalsContact O-N 3.09Å; Q82-K86 PolarHBondContact O-N 2.81Å; Q82-K86 VanDerWaalsContact O-N 3.16Å; Q82-A93 HydrophobicContact CB-CB 4.38Å; Q82-D96 HydrophobicContact CG-CB 4.08Å; Q82-D96 PolarHBondContact NE2-O 2.87Å; Q82-A97 HydrophobicContact CG-CB 3.99Å
83K98.2Very high98Very high147 Ų14757.8 Ų57.864%0.63928%0.278SS*.Hα-helixtrans-59.2-38.6174.8-176.4172.8177.4-69.10111.2K86 E87K83-K86 PolarHBondContact O-N 3.26Å; K83-E87 WeakPolarHBondContact CE-OE1 3.43Å; K83-E87 IonicContact NZ-OE1 2.64Å; K83-E87 PolarHBondContact NZ-OE1 2.83Å; K83-E87 WeakPolarHBondContact O-CG 3.21Å; K83-E87 PolarHBondContact O-N 2.87Å
84A98Very high98.1Very high6 Ų652.4 Ų52.45%0.0525%0.254CS..Hα-helixtrans-61.7-40.1174.400000112.7Q82 E87 G88 K89 K92 A93Q82-A84 PolarHBondContact O-N 2.86Å; A84-E87 CarbonylContact O-C 3.43Å; A84-E87 PolarHBondContact O-N 2.86Å; A84-G88 PolarHBondContact O-N 3Å; A84-G88 VanDerWaalsContact O-N 3.09Å; A84-K89 HydrophobicContact CB-CB 4.17Å; A84-K89 PolarHBondContact O-N 3.03Å; A84-K92 HydrophobicContact CB-CB 4.05Å; A84-K92 HydrophobicContact CB-CG 4.16Å; A84-A93 HydrophobicContact CB-CB 3.99Å
85Y97.9Very high98.1Very high18 Ų1851.6 Ų51.67%0.07125%0.253CS..Hα-helixtrans-63.2-45.7177.7-165.4-86.4000111.5L49 D50 I79 K80 Q82 E87 G88 L90 A93 L336 R338L49-Y85 HydrophobicContact CD2-CE2 4.32Å; D50-Y85 WeakPolarHBondContact OD2-CE1 3.26Å; D50-Y85 PolarHBondContact OD2-OH 3.05Å; I79-Y85 HydrophobicContact CG2-CD2 3.53Å; I79-Y85 HydrophobicContact CG2-CE2 3.57Å; I79-Y85 WeakPolarHBondContact O-CB 3.26Å; K80-Y85 HydrophobicContact CB-CE1 4.48Å; K80-Y85 HydrophobicContact CG-CE1 4.07Å; Q82-Y85 WeakPolarHBondContact O-CB 3.41Å; Q82-Y85 PolarHBondContact O-N 3.32Å; Q82-Y85 VanDerWaalsContact O-N 3.09Å; Y85-E87 PolarHBondContact O-N 2.75Å; Y85-G88 PolarHBondContact O-N 2.79Å; Y85-L90 HydrophobicContact CD2-CD2 3.47Å; Y85-L90 VanDerWaalsContact CD2-CD2 3.47Å; Y85-L90 HydrophobicContact CE2-CD2 3.51Å; Y85-L90 HydrophobicContact CG-CD2 4.19Å; Y85-A93 HydrophobicContact CD2-CB 4.09Å; Y85-A93 HydrophobicContact CG-CB 4.46Å; Y85-L336 HydrophobicContact CE2-CD1 4.29Å; Y85-R338 VanDerWaalsContact CZ-NH2 3.26Å; Y85-R338 PolarHBondContact OH-NH2 2.68Å; Y85-R338 VanDerWaalsContact OH-NH2 3.15Å
86K96.9Very high98.1Very high133 Ų13353.8 Ų53.858%0.57827%0.265SS*.Hα-helixtrans-66.4-21.9177-67.6161.2179.51660112.8K80 D81 Q82 K83K80-K86 VanDerWaalsContact O-CE 3.29Å; K80-K86 WeakPolarHBondContact O-CE 3.42Å; D81-K86 WeakPolarHBondContact O-CE 3.39Å; D81-K86 PolarHBondContact O-NZ 2.94Å; D81-K86 IonicContact OD1-NZ 2.66Å; D81-K86 PolarHBondContact OD1-NZ 2.8Å; Q82-K86 PolarHBondContact O-N 2.81Å; Q82-K86 VanDerWaalsContact O-N 3.16Å; K83-K86 PolarHBondContact O-N 3.26Å
87E97.2Very high98.1Very high92 Ų9253.4 Ų53.443%0.4326%0.262SS..THydrogen-bonded Turntrans-90.3-1169.7-72.9177.6-159.700113.9K83 A84 Y85 K89K83-E87 WeakPolarHBondContact CE-OE1 3.43Å; K83-E87 IonicContact NZ-OE1 2.64Å; K83-E87 PolarHBondContact NZ-OE1 2.83Å; K83-E87 WeakPolarHBondContact O-CG 3.21Å; K83-E87 PolarHBondContact O-N 2.87Å; A84-E87 CarbonylContact O-C 3.43Å; A84-E87 PolarHBondContact O-N 2.86Å; Y85-E87 PolarHBondContact O-N 2.75Å; E87-K89 VanDerWaalsContact C-N 3.31Å; E87-K89 HydrophobicContact CB-CD 4.25Å; E87-K89 HydrophobicContact CB-CG 4.38Å; E87-K89 PolarHBondContact O-N 2.77Å; E87-K89 WeakPolarHBondContact OE2-CE 3.43Å; E87-K89 IonicContact OE2-NZ 2.63Å; E87-K89 PolarHBondContact OE2-NZ 2.75Å
88G95.5Very high98.1Very high44 Ų4449 Ų4945%0.45424%0.238SC..THydrogen-bonded Turntrans78.25.7-178.100000115.5A84 Y85 L90A84-G88 PolarHBondContact O-N 3Å; A84-G88 VanDerWaalsContact O-N 3.09Å; Y85-G88 PolarHBondContact O-N 2.79Å; G88-L90 VanDerWaalsContact C-N 3.34Å; G88-L90 PolarHBondContact O-N 3.35Å; G88-L90 VanDerWaalsContact O-N 3.09Å
89K97.8Very high98.1Very high110 Ų11050.1 Ų50.148%0.47824%0.244SC..  trans-8571.3-179.6-64169.7-179.7166.70110.4A84 E87 Q91 K92 A93A84-K89 HydrophobicContact CB-CB 4.17Å; A84-K89 PolarHBondContact O-N 3.03Å; E87-K89 VanDerWaalsContact C-N 3.31Å; E87-K89 HydrophobicContact CB-CD 4.25Å; E87-K89 HydrophobicContact CB-CG 4.38Å; E87-K89 PolarHBondContact O-N 2.77Å; E87-K89 WeakPolarHBondContact OE2-CE 3.43Å; E87-K89 IonicContact OE2-NZ 2.63Å; E87-K89 PolarHBondContact OE2-NZ 2.75Å; K89-Q91 PolarHBondContact O-N 2.54Å; K89-K92 HydrophobicContact CB-CB 4.47Å; K89-K92 PolarHBondContact O-N 3.47Å; K89-A93 WeakPolarHBondContact O-CB 3.41Å; K89-A93 PolarHBondContact O-N 2.91Å
90L97.7Very high98.1Very high6 Ų651.7 Ų51.73%0.03126%0.258CS..Hα-helixtrans-64.6-31.5-167.4-70.3-177.3000115.1Y85 G88 A93 L94 L336 R338 I343Y85-L90 HydrophobicContact CD2-CD2 3.47Å; Y85-L90 VanDerWaalsContact CD2-CD2 3.47Å; Y85-L90 HydrophobicContact CE2-CD2 3.51Å; Y85-L90 HydrophobicContact CG-CD2 4.19Å; G88-L90 VanDerWaalsContact C-N 3.34Å; G88-L90 PolarHBondContact O-N 3.35Å; G88-L90 VanDerWaalsContact O-N 3.09Å; L90-A93 PolarHBondContact O-N 3.42Å; L90-L94 PolarHBondContact O-N 3.43Å; L90-L336 HydrophobicContact CD2-CD1 4.36Å; L90-R338 HydrophobicContact CD1-CB 4.01Å; L90-I343 HydrophobicContact CB-CD1 3.41Å; L90-I343 VanDerWaalsContact CB-CD1 3.41Å; L90-I343 HydrophobicContact CD1-CD1 3.93Å; L90-I343 HydrophobicContact CG-CD1 4.32Å
91Q98.3Very high98.1Very high73 Ų7348.9 Ų48.934%0.34125%0.245SC..Hα-helixtrans-60.6-55173.2-57.290-23.800110.2K89 A93 L94 E95 I343 I425 V427K89-Q91 PolarHBondContact O-N 2.54Å; Q91-A93 PolarHBondContact O-N 3.07Å; Q91-L94 WeakPolarHBondContact O-CB 3.27Å; Q91-L94 PolarHBondContact O-N 2.91Å; Q91-E95 PolarHBondContact O-N 3.17Å; Q91-I343 HydrophobicContact CG-CG2 4.45Å; Q91-I425 HydrophobicContact CB-CG2 3.88Å; Q91-I425 HydrophobicContact CG-CG2 3.81Å; Q91-V427 HydrophobicContact CG-CG2 3.81Å
92K98.4Very high98.1Very high81 Ų8143.8 Ų43.835%0.35222%0.218SC..Hα-helixtrans-64.9-29.9-178.6-169.649.4177.1149.50112.2A84 K89 L94 E95 D96A84-K92 HydrophobicContact CB-CB 4.05Å; A84-K92 HydrophobicContact CB-CG 4.16Å; K89-K92 HydrophobicContact CB-CB 4.47Å; K89-K92 PolarHBondContact O-N 3.47Å; K92-L94 VanDerWaalsContact C-N 3.3Å; K92-L94 PolarHBondContact O-N 3.44Å; K92-E95 HydrophobicContact CD-CB 4.17Å; K92-E95 HydrophobicContact CD-CG 4.47Å; K92-E95 WeakPolarHBondContact CD-OE2 3.2Å; K92-E95 WeakPolarHBondContact CE-OE2 3.43Å; K92-E95 IonicContact NZ-OE2 3.16Å; K92-E95 PolarHBondContact NZ-OE2 3.12Å; K92-D96 WeakPolarHBondContact CD-OD1 3.44Å; K92-D96 WeakPolarHBondContact CE-OD1 3.31Å; K92-D96 IonicContact NZ-OD1 3.58Å; K92-D96 PolarHBondContact NZ-OD1 2.87Å; K92-D96 VanDerWaalsContact O-CB 3.25Å; K92-D96 WeakPolarHBondContact O-CB 3.35Å; K92-D96 PolarHBondContact O-N 3.44Å
93A98.6Very high98.1Very high0 Ų044.7 Ų44.70%023%0.232CC..Hα-helixtrans-64.1-31.1172.800000113.8Q82 A84 Y85 K89 L90 Q91 A97Q82-A93 HydrophobicContact CB-CB 4.38Å; A84-A93 HydrophobicContact CB-CB 3.99Å; Y85-A93 HydrophobicContact CD2-CB 4.09Å; Y85-A93 HydrophobicContact CG-CB 4.46Å; K89-A93 WeakPolarHBondContact O-CB 3.41Å; K89-A93 PolarHBondContact O-N 2.91Å; L90-A93 PolarHBondContact O-N 3.42Å; Q91-A93 PolarHBondContact O-N 3.07Å; A93-A97 WeakPolarHBondContact O-CB 3.49Å; A93-A97 PolarHBondContact O-N 3.41Å; A93-A97 VanDerWaalsContact O-N 3.12Å
94L98.7Very high98.1Very high0 Ų041.7 Ų41.70%022%0.219CC..Hα-helixtrans-77.6-46.7176-72.2162.5000110.8I79 L90 Q91 K92 D96 A97 F98 V334 L336 I343 A345 I425I79-L94 HydrophobicContact CD1-CD2 3.76Å; I79-L94 HydrophobicContact CG1-CD2 4.2Å; L90-L94 PolarHBondContact O-N 3.43Å; Q91-L94 WeakPolarHBondContact O-CB 3.27Å; Q91-L94 PolarHBondContact O-N 2.91Å; K92-L94 VanDerWaalsContact C-N 3.3Å; K92-L94 PolarHBondContact O-N 3.44Å; L94-D96 PolarHBondContact O-N 3.21Å; L94-A97 PolarHBondContact O-N 2.8Å; L94-F98 HydrophobicContact CD2-CE2 4.46Å; L94-F98 VanDerWaalsContact O-CD2 3.23Å; L94-F98 WeakPolarHBondContact O-CD2 3.39Å; L94-F98 PolarHBondContact O-N 2.98Å; L94-V334 HydrophobicContact CD2-CB 4.41Å; L94-V334 HydrophobicContact CD2-CG1 3.83Å; L94-L336 HydrophobicContact CD1-CD1 3.94Å; L94-L336 HydrophobicContact CD1-CG 4.16Å; L94-L336 HydrophobicContact CD2-CD1 3.93Å; L94-L336 HydrophobicContact CD2-CG 4.13Å; L94-L336 HydrophobicContact CG-CD1 3.99Å; L94-I343 HydrophobicContact CD1-CG2 3.63Å; L94-A345 HydrophobicContact CB-CB 3.95Å; L94-A345 HydrophobicContact CD1-CB 3.99Å; L94-A345 HydrophobicContact CD2-CB 4.34Å; L94-A345 HydrophobicContact CG-CB 4.32Å; L94-I425 HydrophobicContact CB-CD1 3.89Å
95E98.6Very high98Very high50 Ų5041.5 Ų41.523%0.23422%0.217CC..Hα-helixtrans-52.4-53.1171.9-62.1164.8-132.200111.7Q91 K92 A97 F98 L99 L422 I425Q91-E95 PolarHBondContact O-N 3.17Å; K92-E95 HydrophobicContact CD-CB 4.17Å; K92-E95 HydrophobicContact CD-CG 4.47Å; K92-E95 WeakPolarHBondContact CD-OE2 3.2Å; K92-E95 WeakPolarHBondContact CE-OE2 3.43Å; K92-E95 IonicContact NZ-OE2 3.16Å; K92-E95 PolarHBondContact NZ-OE2 3.12Å; E95-A97 VanDerWaalsContact C-N 3.27Å; E95-A97 PolarHBondContact O-N 2.87Å; E95-F98 PolarHBondContact O-N 3.25Å; E95-L99 PolarHBondContact O-N 3.25Å; E95-L422 HydrophobicContact CB-CD1 4.16Å; E95-L422 HydrophobicContact CG-CD1 4.34Å; E95-I425 HydrophobicContact CG-CD1 4.32Å; E95-I425 HydrophobicContact CG-CG1 4.01Å
96D98.6Very high97.9Very high47 Ų4744.5 Ų44.525%0.25124%0.238SC..Hα-helixtrans-64.9-31.3-178.6-67.4-11.3000111.6Q82 K92 L94 A100Q82-D96 HydrophobicContact CG-CB 4.08Å; Q82-D96 PolarHBondContact NE2-O 2.87Å; K92-D96 WeakPolarHBondContact CD-OD1 3.44Å; K92-D96 WeakPolarHBondContact CE-OD1 3.31Å; K92-D96 IonicContact NZ-OD1 3.58Å; K92-D96 PolarHBondContact NZ-OD1 2.87Å; K92-D96 VanDerWaalsContact O-CB 3.25Å; K92-D96 WeakPolarHBondContact O-CB 3.35Å; K92-D96 PolarHBondContact O-N 3.44Å; L94-D96 PolarHBondContact O-N 3.21Å; D96-A100 WeakPolarHBondContact O-CB 3.25Å; D96-A100 PolarHBondContact O-N 2.87Å; D96-A100 VanDerWaalsContact O-N 3.07Å
97A98.8Very high97.9Very high0 Ų040.7 Ų40.70%023%0.225CC..Hα-helixtrans-76.2-39.7178.700000113.5L75 I78 I79 Q82 A93 L94 E95 A100 I101L75-A97 HydrophobicContact CD1-CB 4.04Å; I78-A97 HydrophobicContact CG2-CB 4.04Å; I79-A97 HydrophobicContact CB-CB 4.31Å; I79-A97 HydrophobicContact CG1-CB 3.52Å; Q82-A97 HydrophobicContact CG-CB 3.99Å; A93-A97 WeakPolarHBondContact O-CB 3.49Å; A93-A97 PolarHBondContact O-N 3.41Å; A93-A97 VanDerWaalsContact O-N 3.12Å; L94-A97 PolarHBondContact O-N 2.8Å; E95-A97 VanDerWaalsContact C-N 3.27Å; E95-A97 PolarHBondContact O-N 2.87Å; A97-A100 PolarHBondContact O-N 2.82Å; A97-I101 WeakPolarHBondContact O-CG2 3.4Å; A97-I101 PolarHBondContact O-N 2.87Å
98F98.8Very high97.7Very high0 Ų043.9 Ų43.90%024%0.24CC..Hα-helixtrans-63.8-49.3176.3-86-128.8000110.5L75 L94 E95 A100 I101 D102 A332 V334 A345 A347 I401 A421 P423L75-F98 HydrophobicContact CD2-CD2 4.48Å; L75-F98 HydrophobicContact CD2-CE2 4.16Å; L94-F98 HydrophobicContact CD2-CE2 4.46Å; L94-F98 VanDerWaalsContact O-CD2 3.23Å; L94-F98 WeakPolarHBondContact O-CD2 3.39Å; L94-F98 PolarHBondContact O-N 2.98Å; E95-F98 PolarHBondContact O-N 3.25Å; F98-A100 VanDerWaalsContact C-N 3.29Å; F98-A100 PolarHBondContact O-N 2.99Å; F98-I101 VanDerWaalsContact O-CG2 3.3Å; F98-I101 WeakPolarHBondContact O-CG2 3.36Å; F98-I101 PolarHBondContact O-N 2.93Å; F98-D102 WeakPolarHBondContact O-CB 3.38Å; F98-D102 PolarHBondContact O-N 2.76Å; F98-A332 HydrophobicContact CD1-CB 4.43Å; F98-A332 HydrophobicContact CE1-CB 3.56Å; F98-A332 WeakPolarHBondContact CE1-O 3.29Å; F98-A332 HydrophobicContact CZ-CB 3.82Å; F98-V334 HydrophobicContact CE2-CB 4.18Å; F98-V334 HydrophobicContact CE2-CG2 3.8Å; F98-V334 HydrophobicContact CZ-CB 4.17Å; F98-V334 HydrophobicContact CZ-CG2 3.68Å; F98-A345 HydrophobicContact CE2-CB 3.97Å; F98-A345 HydrophobicContact CZ-CB 3.88Å; F98-A347 HydrophobicContact CD1-CB 4.07Å; F98-A347 HydrophobicContact CE1-CB 3.93Å; F98-I401 HydrophobicContact CD1-CD1 3.94Å; F98-I401 HydrophobicContact CD1-CG1 4.39Å; F98-I401 HydrophobicContact CE1-CD1 4.3Å; F98-I401 HydrophobicContact CG-CD1 4.31Å; F98-A421 WeakPolarHBondContact CB-O 3.23Å; F98-P423 HydrophobicContact CB-CG 4.02Å; F98-P423 HydrophobicContact CD1-CB 3.7Å; F98-P423 HydrophobicContact CD1-CG 3.65Å; F98-P423 HydrophobicContact CD2-CG 4.05Å; F98-P423 HydrophobicContact CE1-CB 3.66Å; F98-P423 HydrophobicContact CE1-CG 4.03Å; F98-P423 HydrophobicContact CE2-CG 4.39Å; F98-P423 HydrophobicContact CG-CB 4.22Å; F98-P423 HydrophobicContact CG-CG 3.65Å; F98-P423 HydrophobicContact CZ-CB 4.16Å; F98-P423 HydrophobicContact CZ-CG 4.38Å
99L98.6Very high97.7Very high36 Ų3648.8 Ų48.819%0.18825%0.251CS..Hα-helixtrans-63.4-34.2175.4-63.3-178.1000112.5E95 A103 P414 A421 L422E95-L99 PolarHBondContact O-N 3.25Å; L99-A103 WeakPolarHBondContact O-CB 3.34Å; L99-A103 PolarHBondContact O-N 3.31Å; L99-A103 VanDerWaalsContact O-N 3.1Å; L99-P414 HydrophobicContact CD2-CB 4.26Å; L99-A421 HydrophobicContact CD2-CB 4.41Å; L99-L422 HydrophobicContact CD1-CD1 4.08Å; L99-L422 HydrophobicContact CD2-CB 4.28Å; L99-L422 HydrophobicContact CG-CD1 4.33Å
100A98.6Very high97.6Very high34 Ų3444.1 Ų44.128%0.28123%0.232SC..Hα-helixtrans-77.3-25.6178.700000114.6I78 D96 A97 F98 K104I78-A100 HydrophobicContact CG2-CB 4.21Å; D96-A100 WeakPolarHBondContact O-CB 3.25Å; D96-A100 PolarHBondContact O-N 2.87Å; D96-A100 VanDerWaalsContact O-N 3.07Å; A97-A100 PolarHBondContact O-N 2.82Å; F98-A100 VanDerWaalsContact C-N 3.29Å; F98-A100 PolarHBondContact O-N 2.99Å; A100-K104 WeakPolarHBondContact O-CG 3.39Å
101I98.6Very high97.4Very high0 Ų047.3 Ų47.30%025%0.248CC..Hα-helixtrans-80.3-39.5171.2-163.9169000110.9Y70 C71 L75 I78 A97 F98 K104 L105 I401Y70-I101 HydrophobicContact CD1-CD1 3.99Å; Y70-I101 HydrophobicContact CD1-CG1 4.09Å; Y70-I101 HydrophobicContact CE1-CD1 4.09Å; Y70-I101 HydrophobicContact CE1-CG1 3.86Å; C71-I101 HydrophobicContact CB-CD1 4.44Å; L75-I101 HydrophobicContact CB-CD1 3.83Å; L75-I101 HydrophobicContact CD1-CB 4.3Å; L75-I101 HydrophobicContact CD1-CD1 4.3Å; L75-I101 HydrophobicContact CD1-CG2 3.98Å; I78-I101 HydrophobicContact CD1-CB 3.83Å; I78-I101 HydrophobicContact CD1-CD1 3.89Å; I78-I101 HydrophobicContact CD1-CG1 3.71Å; A97-I101 WeakPolarHBondContact O-CG2 3.4Å; A97-I101 PolarHBondContact O-N 2.87Å; F98-I101 VanDerWaalsContact O-CG2 3.3Å; F98-I101 WeakPolarHBondContact O-CG2 3.36Å; F98-I101 PolarHBondContact O-N 2.93Å; I101-K104 WeakPolarHBondContact O-CB 3.38Å; I101-K104 PolarHBondContact O-N 2.89Å; I101-K104 VanDerWaalsContact O-N 3.12Å; I101-L105 PolarHBondContact O-N 3.32Å; I101-I401 HydrophobicContact CG2-CD1 3.85Å; I101-I401 HydrophobicContact CG2-CG1 4.48Å; I101-I401 HydrophobicContact CG2-CG2 4.08Å
102D98.6Very high97.2Very high6 Ų648.4 Ų48.43%0.03225%0.252CS..Hα-helixtrans-59.2-52.1177.1-163.149.4000111F98 K104 L105 I401 G402 H404 K407 A421F98-D102 WeakPolarHBondContact O-CB 3.38Å; F98-D102 PolarHBondContact O-N 2.76Å; D102-K104 PolarHBondContact O-N 2.83Å; D102-K104 VanDerWaalsContact O-N 3.12Å; D102-L105 WeakPolarHBondContact O-CB 3.5Å; D102-L105 PolarHBondContact O-N 2.76Å; D102-I401 HydrophobicContact CB-CG2 4.39Å; D102-I401 WeakPolarHBondContact OD1-CA 3.38Å; D102-G402 PolarHBondContact OD1-N 2.83Å; D102-H404 PolarHBondContact O-CE1 3.38Å; D102-H404 VanDerWaalsContact O-CE1 3.23Å; D102-H404 PolarHBondContact O-NE2 3.2Å; D102-H404 IonicContact OD1-CE1 3.17Å; D102-H404 PolarHBondContact OD1-CE1 2.98Å; D102-H404 VanDerWaalsContact OD1-CE1 3.28Å; D102-H404 IonicContact OD1-NE2 2.68Å; D102-H404 IonicContact OD2-NE2 3.49Å; D102-K407 IonicContact OD1-NZ 3.28Å; D102-K407 PolarHBondContact OD1-NZ 2.68Å; D102-K407 IonicContact OD2-NZ 2.68Å; D102-K407 PolarHBondContact OD2-NZ 2.85Å; D102-A421 HydrophobicContact CB-CB 3.64Å; D102-A421 WeakPolarHBondContact OD2-CB 3.33Å
103A97.8Very high97.1Very high56 Ų5646.3 Ų46.346%0.46324%0.243SC..Hα-helixtrans-58.6-28.8176.500000113.8L99 T106L99-A103 WeakPolarHBondContact O-CB 3.34Å; L99-A103 PolarHBondContact O-N 3.31Å; L99-A103 VanDerWaalsContact O-N 3.1Å; A103-T106 PolarHBondContact O-N 3.02Å; A103-T106 PolarHBondContact O-OG1 2.95Å
104K97.5Very high96.9Very high83 Ų8346.3 Ų46.336%0.36124%0.243SC..Hα-helixtrans-68.9-30.4175.7-85.5177.6174.5-168.30113I78 A100 I101 D102 T106 T107 V110I78-K104 HydrophobicContact CD1-CD 3.89Å; A100-K104 WeakPolarHBondContact O-CG 3.39Å; I101-K104 WeakPolarHBondContact O-CB 3.38Å; I101-K104 PolarHBondContact O-N 2.89Å; I101-K104 VanDerWaalsContact O-N 3.12Å; D102-K104 PolarHBondContact O-N 2.83Å; D102-K104 VanDerWaalsContact O-N 3.12Å; K104-T106 PolarHBondContact O-N 2.72Å; K104-T106 VanDerWaalsContact O-N 3.09Å; K104-T107 PolarHBondContact O-N 2.9Å; K104-T107 PolarHBondContact O-OG1 2.75Å; K104-V110 VanDerWaalsContact O-CB 3.28Å; K104-V110 WeakPolarHBondContact O-CB 3.3Å
105L96.9Very high96.6Very high3 Ų347.2 Ų47.22%0.01625%0.251CS..Hα-helixtrans-62.1-20179.6-57.4172.4000112.1V67 Y70 I101 D102 V110 I111 L114 I401V67-L105 HydrophobicContact CG1-CD1 3.7Å; V67-L105 HydrophobicContact CG1-CD2 4.45Å; Y70-L105 HydrophobicContact CD1-CD2 3.69Å; Y70-L105 HydrophobicContact CE1-CD2 4.04Å; Y70-L105 HydrophobicContact CG-CD2 4.12Å; I101-L105 PolarHBondContact O-N 3.32Å; D102-L105 WeakPolarHBondContact O-CB 3.5Å; D102-L105 PolarHBondContact O-N 2.76Å; L105-V110 HydrophobicContact CD2-CG1 4.08Å; L105-I111 VanDerWaalsContact O-CG1 3.23Å; L105-I111 WeakPolarHBondContact O-CG1 3.4Å; L105-L114 HydrophobicContact CB-CD1 4.34Å; L105-L114 HydrophobicContact CD2-CD1 3.85Å; L105-L114 HydrophobicContact CD2-CD2 4.09Å; L105-L114 HydrophobicContact CD2-CG 4.44Å; L105-I401 HydrophobicContact CD1-CG2 3.7Å
106T95.4Very high96.3Very high81 Ų8150.8 Ų50.850%0.49727%0.268SS..THydrogen-bonded Turntrans-83.6-2.8175.872.40000115.2A103 K104 H404A103-T106 PolarHBondContact O-N 3.02Å; A103-T106 PolarHBondContact O-OG1 2.95Å; K104-T106 PolarHBondContact O-N 2.72Å; K104-T106 VanDerWaalsContact O-N 3.09Å; T106-H404 WeakPolarHBondContact CG2-CD2 3.43Å; T106-H404 WeakPolarHBondContact CG2-NE2 3.42Å
107T96.4Very high96Very high52 Ų5250.7 Ų50.732%0.31927%0.267SS..SBendtrans-89.7140.8-177.768.70000112K104 E109 V110 I111K104-T107 PolarHBondContact O-N 2.9Å; K104-T107 PolarHBondContact O-OG1 2.75Å; T107-E109 PolarHBondContact O-N 3.27Å; T107-E109 VanDerWaalsContact O-N 3.13Å; T107-V110 PolarHBondContact O-N 3.2Å; T107-V110 WeakPolarHBondContact OG1-CG2 3.38Å; T107-I111 WeakPolarHBondContact O-CG1 3.48Å; T107-I111 PolarHBondContact O-N 2.87Å
108E93.8Very high95.5Very high160 Ų16052 Ų5275%0.74828%0.278SS*.Hα-helixtrans-52.8-39.4-175-65.8179.3-163.500113.2V110 K112E108-V110 VanDerWaalsContact C-N 3.3Å; E108-V110 PolarHBondContact O-N 2.92Å; E108-K112 WeakPolarHBondContact O-CG 3.45Å; E108-K112 PolarHBondContact O-N 3.38Å
109E95.7Very high94.7Very high147 Ų14755.1 Ų55.169%0.68731%0.309SS*.Hα-helixtrans-66.3-31.5178.3-57.793.3153.400113.1T107 E113T107-E109 PolarHBondContact O-N 3.27Å; T107-E109 VanDerWaalsContact O-N 3.13Å; E109-E113 PolarHBondContact O-N 2.96Å
110V95.7Very high93.5Very high12 Ų1256.9 Ų56.97%0.07331%0.313CS..Hα-helixtrans-86.1-39.7-178.9174.50000110.7Y70 K104 L105 T107 E108 K112 E113 L114Y70-V110 HydrophobicContact CD2-CG1 4.15Å; Y70-V110 HydrophobicContact CE1-CG1 4.29Å; Y70-V110 HydrophobicContact CE2-CB 4.43Å; Y70-V110 HydrophobicContact CE2-CG1 3.52Å; Y70-V110 HydrophobicContact CE2-CG2 4.21Å; Y70-V110 VanDerWaalsContact OH-CG2 3.31Å; Y70-V110 WeakPolarHBondContact OH-CG2 3.48Å; K104-V110 VanDerWaalsContact O-CB 3.28Å; K104-V110 WeakPolarHBondContact O-CB 3.3Å; L105-V110 HydrophobicContact CD2-CG1 4.08Å; T107-V110 PolarHBondContact O-N 3.2Å; T107-V110 WeakPolarHBondContact OG1-CG2 3.38Å; E108-V110 VanDerWaalsContact C-N 3.3Å; E108-V110 PolarHBondContact O-N 2.92Å; V110-K112 PolarHBondContact O-N 2.85Å; V110-E113 CarbonylContact O-C 3.6Å; V110-E113 WeakPolarHBondContact O-CA 3.49Å; V110-E113 WeakPolarHBondContact O-CB 3.36Å; V110-E113 PolarHBondContact O-N 2.89Å; V110-L114 HydrophobicContact CG1-CD1 4.12Å; V110-L114 HydrophobicContact CG1-CG 4.13Å; V110-L114 WeakPolarHBondContact O-CG 3.28Å; V110-L114 PolarHBondContact O-N 3.43Å
111I94.1Very high91.6Very high73 Ų7360.2 Ų60.237%0.37433%0.333SS..Hα-helixtrans-56.1-41.1172.7-63.7168.6000110.3L105 T107 E113 L114 A115L105-I111 VanDerWaalsContact O-CG1 3.23Å; L105-I111 WeakPolarHBondContact O-CG1 3.4Å; T107-I111 WeakPolarHBondContact O-CG1 3.48Å; T107-I111 PolarHBondContact O-N 2.87Å; I111-E113 PolarHBondContact O-N 2.61Å; I111-L114 PolarHBondContact O-N 3.04Å; I111-A115 WeakPolarHBondContact O-CB 3.31Å; I111-A115 PolarHBondContact O-N 3.16Å
112K93.7Very high89.6Confident95 Ų9561 Ų6141%0.41334%0.337SS..Hα-helixtrans-66.5-32173.5-72.3-168.4176.6-158.60113.7E108 V110 Q116 D124E108-K112 WeakPolarHBondContact O-CG 3.45Å; E108-K112 PolarHBondContact O-N 3.38Å; V110-K112 PolarHBondContact O-N 2.85Å; K112-Q116 VanDerWaalsContact O-CG 3.26Å; K112-Q116 WeakPolarHBondContact O-CG 3.35Å; K112-Q116 PolarHBondContact O-N 2.94Å; K112-Q116 PolarHBondContact O-NE2 2.85Å; K112-D124 VanDerWaalsContact NZ-CG 3.32Å; K112-D124 IonicContact NZ-OD1 2.69Å; K112-D124 PolarHBondContact NZ-OD1 3.11Å; K112-D124 IonicContact NZ-OD2 3.87Å; K112-D124 PolarHBondContact NZ-OD2 3.28Å
113E95.6Very high87.6Confident37 Ų3767.8 Ų67.817%0.17337%0.369CS..Hα-helixtrans-73-42.7173.3-178.5168.7-162.700112K73 Y74 E109 V110 I111 A115 Q116 I117K73-E113 IonicContact NZ-OE1 2.76Å; K73-E113 PolarHBondContact NZ-OE1 2.9Å; Y74-E113 WeakPolarHBondContact CE2-OE1 3.06Å; Y74-E113 WeakPolarHBondContact CE2-OE2 3.09Å; Y74-E113 VanDerWaalsContact OH-CD 3.24Å; Y74-E113 PolarHBondContact OH-OE1 3.11Å; Y74-E113 PolarHBondContact OH-OE2 3.36Å; E109-E113 PolarHBondContact O-N 2.96Å; V110-E113 CarbonylContact O-C 3.6Å; V110-E113 WeakPolarHBondContact O-CA 3.49Å; V110-E113 WeakPolarHBondContact O-CB 3.36Å; V110-E113 PolarHBondContact O-N 2.89Å; I111-E113 PolarHBondContact O-N 2.61Å; E113-A115 PolarHBondContact O-N 3.09Å; E113-Q116 WeakPolarHBondContact O-CB 3.49Å; E113-Q116 PolarHBondContact O-N 2.99Å; E113-I117 HydrophobicContact CG-CD1 3.95Å; E113-I117 HydrophobicContact CG-CG1 4.47Å; E113-I117 WeakPolarHBondContact O-CG1 3.36Å; E113-I117 PolarHBondContact O-N 3.34Å
114L94.9Very high85.5Confident0 Ų068.2 Ų68.20%036%0.363CS..Hα-helixtrans-60.1-45.4176.4-66.8172.6000111.2E66 Y70 L105 V110 I111 Q116 I117 A118 P324E66-L114 HydrophobicContact CB-CD2 4.2Å; E66-L114 HydrophobicContact CG-CB 3.98Å; E66-L114 HydrophobicContact CG-CD2 3.98Å; Y70-L114 HydrophobicContact CD2-CD2 4.05Å; Y70-L114 HydrophobicContact CG-CD2 4.06Å; L105-L114 HydrophobicContact CB-CD1 4.34Å; L105-L114 HydrophobicContact CD2-CD1 3.85Å; L105-L114 HydrophobicContact CD2-CD2 4.09Å; L105-L114 HydrophobicContact CD2-CG 4.44Å; V110-L114 HydrophobicContact CG1-CD1 4.12Å; V110-L114 HydrophobicContact CG1-CG 4.13Å; V110-L114 WeakPolarHBondContact O-CG 3.28Å; V110-L114 PolarHBondContact O-N 3.43Å; I111-L114 PolarHBondContact O-N 3.04Å; L114-Q116 VanDerWaalsContact C-N 3.31Å; L114-Q116 PolarHBondContact O-N 2.95Å; L114-I117 PolarHBondContact O-N 3.35Å; L114-A118 WeakPolarHBondContact O-CB 3.29Å; L114-A118 PolarHBondContact O-N 2.61Å; L114-P324 HydrophobicContact CB-CB 3.69Å
115A92.2Very high83.3Confident20 Ų2069.2 Ų69.217%0.16537%0.369CS..Hα-helixtrans-59-39.6175.100000112.9I111 E113 A118 G119 R120I111-A115 WeakPolarHBondContact O-CB 3.31Å; I111-A115 PolarHBondContact O-N 3.16Å; E113-A115 PolarHBondContact O-N 3.09Å; A115-A118 PolarHBondContact O-N 2.91Å; A115-G119 PolarHBondContact O-N 2.82Å; A115-R120 PolarHBondContact O-N 2.69Å
116Q92.5Very high81Confident124 Ų12472.7 Ų72.758%0.57939%0.388SS*.Hα-helixtrans-68.5-36.7175.7-72.9168.924.100112.8K112 E113 L114 G119 T122K112-Q116 VanDerWaalsContact O-CG 3.26Å; K112-Q116 WeakPolarHBondContact O-CG 3.35Å; K112-Q116 PolarHBondContact O-N 2.94Å; K112-Q116 PolarHBondContact O-NE2 2.85Å; E113-Q116 WeakPolarHBondContact O-CB 3.49Å; E113-Q116 PolarHBondContact O-N 2.99Å; L114-Q116 VanDerWaalsContact C-N 3.31Å; L114-Q116 PolarHBondContact O-N 2.95Å; Q116-G119 PolarHBondContact O-N 3.31Å; Q116-T122 HydrophobicContact CG-CG2 3.96Å
117I91.8Very high78.7Confident46 Ų4676.3 Ų76.324%0.23640%0.399CS..Hα-helixtrans-68-44.9175-64.5163.8000109.9E66 L69 E113 L114 G119E66-I117 HydrophobicContact CB-CB 3.75Å; E66-I117 HydrophobicContact CB-CG2 3.59Å; L69-I117 HydrophobicContact CB-CG2 4.17Å; L69-I117 HydrophobicContact CD1-CG2 3.61Å; E113-I117 HydrophobicContact CG-CD1 3.95Å; E113-I117 HydrophobicContact CG-CG1 4.47Å; E113-I117 WeakPolarHBondContact O-CG1 3.36Å; E113-I117 PolarHBondContact O-N 3.34Å; L114-I117 PolarHBondContact O-N 3.35Å; I117-G119 PolarHBondContact O-N 2.75Å
118A88.2Confident76.3Confident28 Ų2880.7 Ų80.723%0.23141%0.414CS..THydrogen-bonded Turntrans-68.64.3176.600000114.6E66 L114 A115 R120 P324E66-A118 HydrophobicContact CB-CB 4.19Å; E66-A118 HydrophobicContact CG-CB 4.08Å; E66-A118 WeakPolarHBondContact OE2-CB 3.25Å; L114-A118 WeakPolarHBondContact O-CB 3.29Å; L114-A118 PolarHBondContact O-N 2.61Å; A115-A118 PolarHBondContact O-N 2.91Å; A118-R120 HydrophobicContact CB-CG 4.02Å; A118-R120 PolarHBondContact O-N 3.18Å; A118-R120 VanDerWaalsContact O-N 3.1Å; A118-P324 HydrophobicContact CB-CG 4.45Å
119G82.9Confident74Confident64 Ų6481.4 Ų81.466%0.6642%0.417SS*.THydrogen-bonded Turntrans63.714.2-179.200000115.1A115 Q116 I117A115-G119 PolarHBondContact O-N 2.82Å; Q116-G119 PolarHBondContact O-N 3.31Å; I117-G119 PolarHBondContact O-N 2.75Å
120R72.1Confident71.6Confident73 Ų7381.8 Ų81.828%0.27542%0.416SS..PPolyproline II helixtrans-79.4128.7-179.7-58.7-177.5-169.6-116-14.1108.5A115 A118 T122 E322A115-R120 PolarHBondContact O-N 2.69Å; A118-R120 HydrophobicContact CB-CG 4.02Å; A118-R120 PolarHBondContact O-N 3.18Å; A118-R120 VanDerWaalsContact O-N 3.1Å; R120-T122 PolarHBondContact O-N 2.97Å; R120-E322 IonicContact CZ-OE2 2.76Å; R120-E322 VanDerWaalsContact CZ-OE2 3.23Å; R120-E322 PolarHBondContact NH1-O 3.2Å; R120-E322 IonicContact NH1-OE2 2.93Å; R120-E322 PolarHBondContact NH1-OE2 3.42Å; R120-E322 IonicContact NH2-OE2 2.66Å; R120-E322 PolarHBondContact NH2-OE2 2.94Å
121P58.9Low69.4Low105 Ų10586.9 Ų86.968%0.68245%0.447SS*.PPolyproline II helixtrans-61.3134.8178.525.9-33.9000109.9
122T56.9Low67Low15 Ų1587.4 Ų87.49%0.09246%0.462CS..PPolyproline II helixtrans-81.4145.5179.758.60000110.5Q116 R120 D124 E125 D126Q116-T122 HydrophobicContact CG-CG2 3.96Å; R120-T122 PolarHBondContact O-N 2.97Å; T122-D124 PolarHBondContact O-N 3.35Å; T122-D124 VanDerWaalsContact O-N 3.11Å; T122-E125 PolarHBondContact N-OE2 2.86Å; T122-E125 VanDerWaalsContact N-OE2 3.16Å; T122-E125 WeakPolarHBondContact O-CA 3.15Å; T122-E125 WeakPolarHBondContact O-CB 3.45Å; T122-E125 PolarHBondContact O-N 2.78Å; T122-E125 WeakPolarHBondContact OG1-CG 3.49Å; T122-E125 PolarHBondContact OG1-OE2 3.1Å; T122-D126 PolarHBondContact O-N 3.45Å
123E57Low64.8Low150 Ų15088.6 Ų88.670%0.70147%0.473SS*.Hα-helixtrans-62.2-22.2177.3-57-170.2146.200112E125 D126 E127E123-E125 PolarHBondContact O-N 3.01Å; E123-D126 PolarHBondContact O-N 3.34Å; E123-E127 PolarHBondContact O-N 2.89Å
124D54Low62.5Low65 Ų6595.6 Ų95.635%0.34851%0.506SS..Hα-helixtrans-66.6-13.4170.2-57.7-57.4000113.3K112 T122 K128K112-D124 VanDerWaalsContact NZ-CG 3.32Å; K112-D124 IonicContact NZ-OD1 2.69Å; K112-D124 PolarHBondContact NZ-OD1 3.11Å; K112-D124 IonicContact NZ-OD2 3.87Å; K112-D124 PolarHBondContact NZ-OD2 3.28Å; T122-D124 PolarHBondContact O-N 3.35Å; T122-D124 VanDerWaalsContact O-N 3.11Å; D124-K128 WeakPolarHBondContact O-CG 3.19Å; D124-K128 PolarHBondContact O-NZ 3.3Å
125E50.7Low60.4Low104 Ų104102.4 Ų102.449%0.48654%0.542SS..Hα-helixtrans-95.5-36.1174.3-70.5169.6129.100111.6T122 E123 E127 K128 E129T122-E125 PolarHBondContact N-OE2 2.86Å; T122-E125 VanDerWaalsContact N-OE2 3.16Å; T122-E125 WeakPolarHBondContact O-CA 3.15Å; T122-E125 WeakPolarHBondContact O-CB 3.45Å; T122-E125 PolarHBondContact O-N 2.78Å; T122-E125 WeakPolarHBondContact OG1-CG 3.49Å; T122-E125 PolarHBondContact OG1-OE2 3.1Å; E123-E125 PolarHBondContact O-N 3.01Å; E125-E127 PolarHBondContact O-N 2.83Å; E125-K128 WeakPolarHBondContact O-CA 3.49Å; E125-K128 PolarHBondContact O-N 2.79Å; E125-E129 PolarHBondContact O-N 3.35Å
126D47.8Very low58.5Low75 Ų75107.3 Ų107.340%0.40157%0.566SS.*Hα-helixtrans-55.7-32167.3-90.4-53.7000112.5T122 E123 K130T122-D126 PolarHBondContact O-N 3.45Å; E123-D126 PolarHBondContact O-N 3.34Å; D126-K130 VanDerWaalsContact O-CD 3.3Å; D126-K130 WeakPolarHBondContact O-CD 3.36Å; D126-K130 VanDerWaalsContact O-CG 3.28Å; D126-K130 WeakPolarHBondContact O-CG 3.43Å; D126-K130 IonicContact OD1-NZ 3.16Å
127E49Very low56.5Low157 Ų157107 Ų10773%0.73457%0.572SS**Hα-helixtrans-76.2-21.5171.8-72-154.8152.200114E123 E125E123-E127 PolarHBondContact O-N 2.89Å; E125-E127 PolarHBondContact O-N 2.83Å
128K44.7Very low54.6Low145 Ų145111 Ų11163%0.6359%0.594SS**Hα-helixtrans-89.9-31.6179-69.4-173.6-160.879.40113.2D124 E125 K130D124-K128 WeakPolarHBondContact O-CG 3.19Å; D124-K128 PolarHBondContact O-NZ 3.3Å; E125-K128 WeakPolarHBondContact O-CA 3.49Å; E125-K128 PolarHBondContact O-N 2.79Å; K128-K130 VanDerWaalsContact C-N 3.3Å
129E45.4Very low53.2Low174 Ų174114.6 Ų114.681%0.81361%0.609SS**Hα-helixtrans-78.1-18.4176-157152.9-127.500111.8E125 V131E125-E129 PolarHBondContact O-N 3.35Å; E129-V131 PolarHBondContact O-N 3.42Å
130K45.3Very low52.1Low156 Ų156119 Ų11968%0.67861%0.613SS**THydrogen-bonded Turntrans-79.344.4170.4-72.1173-171.8134.10114.5D126 K128D126-K130 VanDerWaalsContact O-CD 3.3Å; D126-K130 WeakPolarHBondContact O-CD 3.36Å; D126-K130 VanDerWaalsContact O-CG 3.28Å; D126-K130 WeakPolarHBondContact O-CG 3.43Å; D126-K130 IonicContact OD1-NZ 3.16Å; K128-K130 VanDerWaalsContact C-N 3.3Å
131V48.9Very low51.7Low119 Ų119122.2 Ų122.272%0.72163%0.631SS**THydrogen-bonded Turntrans-136.938.8163.8-149.80000112.5E129E129-V131 PolarHBondContact O-N 3.42Å
132A44.6Very low52.1Low83 Ų83120 Ų12069%0.68662%0.621SS**SBendtrans-111116147.400000106.8E134A132-E134 PolarHBondContact O-N 3.39Å
133D47.2Very low52.7Low121 Ų121121.9 Ų121.965%0.64764%0.639SS**  trans-67.2127-177.8-60.7-79000110.5D135 D136D133-D135 PolarHBondContact O-N 2.88Å; D133-D135 VanDerWaalsContact O-N 3.08Å; D133-D136 PolarHBondContact O-N 2.82Å
134E48.5Very low53.6Low183 Ų183119.1 Ų119.186%0.85563%0.628SS**G310 helixtrans-62.9-16.2-179.8-64-177.5139.200112.9A132 D136A132-E134 PolarHBondContact O-N 3.39Å; E134-D136 VanDerWaalsContact C-N 3.34Å; E134-D136 PolarHBondContact O-N 3.46Å
135D50.6Low54.5Low143 Ų143121.2 Ų121.277%0.76564%0.639SS**G310 helixtrans-68.2-20.7179.2-79.6-35.9000114.7D133D133-D135 PolarHBondContact O-N 2.88Å; D133-D135 VanDerWaalsContact O-N 3.08Å
136D52Low55.8Low124 Ų124122.5 Ų122.566%0.66365%0.645SS**G310 helixtrans-91.7-19.6-171.3-106.9-5.8000114.5D133 E134D133-D136 PolarHBondContact O-N 2.82Å; E134-D136 VanDerWaalsContact C-N 3.34Å; E134-D136 PolarHBondContact O-N 3.46Å
137V49Very low57.2Low117 Ų117123.4 Ų123.471%0.70965%0.646SS**Hα-helixtrans-84.5-44.5-176.4-170.40000112.2N139V137-N139 PolarHBondContact O-N 2.91Å; V137-N139 VanDerWaalsContact O-N 3.16Å
138D53.8Low58.7Low131 Ų131118.4 Ų118.470%0.70162%0.623SS**Hα-helixtrans-62.1-23.5179-89.94.6000112.8A142D138-A142 WeakPolarHBondContact O-CB 3.43Å; D138-A142 PolarHBondContact O-N 2.88Å; D138-A142 VanDerWaalsContact O-N 3.13Å
139N58.3Low60.2Low103 Ų103115.4 Ų115.455%0.55163%0.626SS**Hα-helixtrans-74.5-39.6-172-167.222.3000113.4V137 A143V137-N139 PolarHBondContact O-N 2.91Å; V137-N139 VanDerWaalsContact O-N 3.16Å; N139-A143 WeakPolarHBondContact O-CB 3.36Å; N139-A143 PolarHBondContact O-N 2.95Å
140E58.4Low61.9Low157 Ų157111.7 Ų111.773%0.73462%0.615SS**Hα-helixtrans-73-42178.9-72.5-154.2142.400112.4A143 L144E140-A143 PolarHBondContact O-N 3.24Å; E140-L144 WeakPolarHBondContact O-CG 3.4Å; E140-L144 PolarHBondContact O-N 2.99Å
141E64Low63.6Low139 Ų139106.5 Ų106.565%0.6559%0.593SS**Hα-helixtrans-68.3-41.3177.8-170.8169.1176.300111.5A143 L144 L145E141-A143 VanDerWaalsContact C-N 3.33Å; E141-A143 PolarHBondContact O-N 3.01Å; E141-L144 PolarHBondContact O-N 3.03Å; E141-L145 HydrophobicContact CG-CD1 4.25Å; E141-L145 WeakPolarHBondContact O-CB 3.49Å; E141-L145 PolarHBondContact O-N 3.38Å
142A66.9Low65.2Low59 Ų59104.4 Ų104.449%0.48858%0.581SS.*Hα-helixtrans-63.6-36.4173.900000112.8D138 H146D138-A142 WeakPolarHBondContact O-CB 3.43Å; D138-A142 PolarHBondContact O-N 2.88Å; D138-A142 VanDerWaalsContact O-N 3.13Å; A142-H146 WeakPolarHBondContact O-CB 3.43Å; A142-H146 PolarHBondContact O-N 2.92Å
143A71.2Confident66.7Low55 Ų55106.7 Ų106.746%0.45558%0.581SS.*Hα-helixtrans-66.3-43.1175.300000112.1N139 E140 E141 H146 E147N139-A143 WeakPolarHBondContact O-CB 3.36Å; N139-A143 PolarHBondContact O-N 2.95Å; E140-A143 PolarHBondContact O-N 3.24Å; E141-A143 VanDerWaalsContact C-N 3.33Å; E141-A143 PolarHBondContact O-N 3.01Å; A143-H146 PolarHBondContact O-N 3.09Å; A143-E147 PolarHBondContact O-N 3.12Å
144L74.8Confident68.1Low92 Ų92108.2 Ų108.248%0.48258%0.584SS.*Hα-helixtrans-63.9-43.6175.9-71.7168.3000111.8E140 E141 H146 E147 E148E140-L144 WeakPolarHBondContact O-CG 3.4Å; E140-L144 PolarHBondContact O-N 2.99Å; E141-L144 PolarHBondContact O-N 3.03Å; L144-H146 VanDerWaalsContact C-N 3.31Å; L144-H146 PolarHBondContact O-N 3.37Å; L144-E147 PolarHBondContact O-N 3.37Å; L144-E148 PolarHBondContact O-N 2.95Å
145L74Confident69.4Low109 Ų109104.2 Ų104.257%0.57157%0.565SS**Hα-helixtrans-61.2-37173.1-87.1161.4000112.5E141 A149E141-L145 HydrophobicContact CG-CD1 4.25Å; E141-L145 WeakPolarHBondContact O-CB 3.49Å; E141-L145 PolarHBondContact O-N 3.38Å; L145-A149 WeakPolarHBondContact O-CB 3.46Å; L145-A149 PolarHBondContact O-N 2.94Å
146H76.8Confident70.5Confident131 Ų13199.9 Ų99.961%0.60654%0.541SS*.Hα-helixtrans-71.7-36.3176.3-16580.3000112.8A142 A143 L144 T150A142-H146 WeakPolarHBondContact O-CB 3.43Å; A142-H146 PolarHBondContact O-N 2.92Å; A143-H146 PolarHBondContact O-N 3.09Å; L144-H146 VanDerWaalsContact C-N 3.31Å; L144-H146 PolarHBondContact O-N 3.37Å; H146-T150 WeakPolarHBondContact O-CG2 3.5Å; H146-T150 PolarHBondContact O-N 2.99Å; H146-T150 PolarHBondContact O-OG1 3.12Å
147E77.6Confident71.5Confident93 Ų9399.6 Ų99.644%0.43554%0.539SS..Hα-helixtrans-60.3-54.1171.3-171.5-172.9114.800110.1A143 L144 A149 T150 M151 R159A143-E147 PolarHBondContact O-N 3.12Å; L144-E147 PolarHBondContact O-N 3.37Å; E147-A149 VanDerWaalsContact C-N 3.32Å; E147-A149 PolarHBondContact O-N 2.78Å; E147-T150 PolarHBondContact O-N 3.17Å; E147-T150 PolarHBondContact O-OG1 3.18Å; E147-M151 WeakPolarHBondContact O-CG 3.28Å; E147-M151 PolarHBondContact O-N 3.1Å; E147-R159 IonicContact OE1-CZ 2.81Å; E147-R159 IonicContact OE1-NH1 3.18Å; E147-R159 PolarHBondContact OE1-NH1 2.82Å; E147-R159 IonicContact OE1-NH2 2.81Å
148E80.2Confident72.9Confident52 Ų5298.5 Ų98.524%0.24353%0.533CS..Hα-helixtrans-66.3-32.6-177.6-66.3-165.3177.700113.2L144 T150 M151 L156 R159 Y160L144-E148 PolarHBondContact O-N 2.95Å; E148-T150 PolarHBondContact O-N 3.13Å; E148-M151 HydrophobicContact CG-SD 4.4Å; E148-L156 HydrophobicContact CB-CD2 4.2Å; E148-L156 HydrophobicContact CG-CD2 4.44Å; E148-R159 IonicContact OE1-CZ 3.98Å; E148-R159 IonicContact OE1-NE 3.36Å; E148-R159 PolarHBondContact OE1-NE 2.82Å; E148-R159 IonicContact OE1-NH2 2.69Å; E148-R159 PolarHBondContact OE1-NH2 3.49Å; E148-Y160 PolarHBondContact OE1-OH 2.87Å
149A76.6Confident74Confident83 Ų8397.3 Ų97.369%0.68652%0.519SS*.Hα-helixtrans-70.3-13.5172.700000114.2L145 E147L145-A149 WeakPolarHBondContact O-CB 3.46Å; L145-A149 PolarHBondContact O-N 2.94Å; E147-A149 VanDerWaalsContact C-N 3.32Å; E147-A149 PolarHBondContact O-N 2.78Å
150T81.7Confident74.9Confident96 Ų9699.9 Ų99.959%0.58952%0.522SS*.Hα-helixtrans-109.5-11.7177.554.70000114.2H146 E147 E148H146-T150 WeakPolarHBondContact O-CG2 3.5Å; H146-T150 PolarHBondContact O-N 2.99Å; H146-T150 PolarHBondContact O-OG1 3.12Å; E147-T150 PolarHBondContact O-N 3.17Å; E147-T150 PolarHBondContact O-OG1 3.18Å; E148-T150 PolarHBondContact O-N 3.13Å
151M80.9Confident75.1Confident46 Ų4694.7 Ų94.723%0.22751%0.511CS..SBendtrans-63.5149169.2-72.7-179.570.800112.3E147 E148 E155 L156 R159E147-M151 WeakPolarHBondContact O-CG 3.28Å; E147-M151 PolarHBondContact O-N 3.1Å; E148-M151 HydrophobicContact CG-SD 4.4Å; M151-E155 HydrophobicContact CE-CB 3.54Å; M151-L156 HydrophobicContact CB-CD2 4.1Å; M151-L156 HydrophobicContact CB-CG 3.94Å; M151-L156 HydrophobicContact CE-CD2 4.47Å; M151-L156 HydrophobicContact SD-CD2 4.11Å; M151-R159 HydrophobicContact CE-CB 4.5Å
152T83.1Confident74.4Confident75 Ų7595.8 Ų95.846%0.4652%0.516SS..  trans-76157.4172.869.40000111.7E154 E155 L156T152-E154 PolarHBondContact O-N 3.43Å; T152-E154 VanDerWaalsContact O-N 3.14Å; T152-E155 VanDerWaalsContact CB-OE2 3.27Å; T152-E155 WeakPolarHBondContact CB-OE2 3.44Å; T152-E155 WeakPolarHBondContact CG2-OE2 3.34Å; T152-E155 PolarHBondContact N-OE2 3.29Å; T152-E155 PolarHBondContact O-N 2.94Å; T152-E155 VanDerWaalsContact OG1-CD 3.25Å; T152-E155 WeakPolarHBondContact OG1-CG 3.36Å; T152-E155 PolarHBondContact OG1-OE2 2.8Å; T152-L156 PolarHBondContact O-N 2.89Å
153I74.8Confident73.3Confident132 Ų13299.4 Ų99.468%0.67753%0.527SS*.Hα-helixtrans-61.8-25.6-178.2-145.9166.2000112.7L157I153-L157 WeakPolarHBondContact O-CB 3.46Å; I153-L157 WeakPolarHBondContact O-CD1 3.26Å; I153-L157 WeakPolarHBondContact O-CG 3.36Å; I153-L157 PolarHBondContact O-N 2.88Å; I153-L157 VanDerWaalsContact O-N 3.11Å
154E76.4Confident71.6Confident153 Ų153102.9 Ų102.972%0.71555%0.547SS*.Hα-helixtrans-75.1-33176.4-59.5-176.4170.100111.9T152 T158T152-E154 PolarHBondContact O-N 3.43Å; T152-E154 VanDerWaalsContact O-N 3.14Å; E154-T158 PolarHBondContact O-N 3.37Å; E154-T158 PolarHBondContact O-OG1 3.3Å
155E75.5Confident69.8Low99 Ų99106.8 Ų106.846%0.46356%0.562SS.*Hα-helixtrans-77.8-41.1177.1-65.4162.1131.200111.1M151 T152 T158 R159M151-E155 HydrophobicContact CE-CB 3.54Å; T152-E155 VanDerWaalsContact CB-OE2 3.27Å; T152-E155 WeakPolarHBondContact CB-OE2 3.44Å; T152-E155 WeakPolarHBondContact CG2-OE2 3.34Å; T152-E155 PolarHBondContact N-OE2 3.29Å; T152-E155 PolarHBondContact O-N 2.94Å; T152-E155 VanDerWaalsContact OG1-CD 3.25Å; T152-E155 WeakPolarHBondContact OG1-CG 3.36Å; T152-E155 PolarHBondContact OG1-OE2 2.8Å; E155-T158 CarbonylContact O-C 3.45Å; E155-T158 WeakPolarHBondContact O-CA 3.35Å; E155-T158 WeakPolarHBondContact O-CB 3.5Å; E155-T158 PolarHBondContact O-N 2.94Å; E155-R159 PolarHBondContact O-N 2.88Å
156L74.3Confident68Low51 Ų51111.2 Ų111.227%0.26758%0.577SS.*Hα-helixtrans-60.5-44.2171.7-71.1170000111.8E148 M151 T152 T158 R159 Y160E148-L156 HydrophobicContact CB-CD2 4.2Å; E148-L156 HydrophobicContact CG-CD2 4.44Å; M151-L156 HydrophobicContact CB-CD2 4.1Å; M151-L156 HydrophobicContact CB-CG 3.94Å; M151-L156 HydrophobicContact CE-CD2 4.47Å; M151-L156 HydrophobicContact SD-CD2 4.11Å; T152-L156 PolarHBondContact O-N 2.89Å; L156-T158 PolarHBondContact O-N 3.36Å; L156-R159 PolarHBondContact O-N 2.82Å; L156-Y160 PolarHBondContact O-N 2.78Å
157L73.8Confident65.6Low119 Ų119108.5 Ų108.562%0.62358%0.584SS**Hα-helixtrans-63.4-20.5172.4-75.9169.7000113.1I153 G161I153-L157 WeakPolarHBondContact O-CB 3.46Å; I153-L157 WeakPolarHBondContact O-CD1 3.26Å; I153-L157 WeakPolarHBondContact O-CG 3.36Å; I153-L157 PolarHBondContact O-N 2.88Å; I153-L157 VanDerWaalsContact O-N 3.11Å; L157-G161 WeakPolarHBondContact O-CA 3.39Å; L157-G161 PolarHBondContact O-N 3.25Å
158T77.6Confident63.6Low94 Ų94109.9 Ų109.958%0.57760%0.601SS**Hα-helixtrans-85.7-39.4173.7-58.20000111.9E154 E155 L156E154-T158 PolarHBondContact O-N 3.37Å; E154-T158 PolarHBondContact O-OG1 3.3Å; E155-T158 CarbonylContact O-C 3.45Å; E155-T158 WeakPolarHBondContact O-CA 3.35Å; E155-T158 WeakPolarHBondContact O-CB 3.5Å; E155-T158 PolarHBondContact O-N 2.94Å; L156-T158 PolarHBondContact O-N 3.36Å
159R77Confident62Low105 Ų105112.8 Ų112.840%0.39663%0.625SS.*Hα-helixtrans-63.3-38.6176.5-169.5171.1175.2131.5-8.7112.1E147 E148 M151 E155 L156E147-R159 IonicContact OE1-CZ 2.81Å; E147-R159 IonicContact OE1-NH1 3.18Å; E147-R159 PolarHBondContact OE1-NH1 2.82Å; E147-R159 IonicContact OE1-NH2 2.81Å; E148-R159 IonicContact OE1-CZ 3.98Å; E148-R159 IonicContact OE1-NE 3.36Å; E148-R159 PolarHBondContact OE1-NE 2.82Å; E148-R159 IonicContact OE1-NH2 2.69Å; E148-R159 PolarHBondContact OE1-NH2 3.49Å; M151-R159 HydrophobicContact CE-CB 4.5Å; E155-R159 PolarHBondContact O-N 2.88Å; L156-R159 PolarHBondContact O-N 2.82Å
160Y76.4Confident59.8Low157 Ų157118.3 Ų118.362%0.61664%0.636SS**Hα-helixtrans-115.9-9.1-173.7-67.7-72.3000116E148 L156E148-Y160 PolarHBondContact OE1-OH 2.87Å; L156-Y160 PolarHBondContact O-N 2.78Å
161G64.2Low57.4Low49 Ų49118.3 Ų118.351%0.50564%0.64SS.*  trans-103.123.4-164.700000118.3L157L157-G161 WeakPolarHBondContact O-CA 3.39Å; L157-G161 PolarHBondContact O-N 3.25Å
162Q49.2Very low55.1Low161 Ų161125.4 Ų125.475%0.75267%0.669SS**  trans-124.575.2-178.1-66.4-16018.500115.7
163N42.6Very low52.5Low135 Ų135126.9 Ų126.972%0.72268%0.683SS**  trans-15041.4145.5-133.8-13.7000117.1H165N163-H165 PolarHBondContact O-N 3.36Å; N163-H165 PolarHBondContact OD1-ND1 2.98Å
164C35.7Very low50.3Low129 Ų129124.2 Ų124.287%0.87269%0.687SS**  trans-90.994166.8-70.80000111
165H38.3Very low48.1Very low174 Ų174122.5 Ų122.581%0.80670%0.699SS**  trans-79.9152.4177.1-97.181.2000113.4N163N163-H165 PolarHBondContact O-N 3.36Å; N163-H165 PolarHBondContact OD1-ND1 2.98Å
166K34.9Very low45.8Very low202 Ų202121.7 Ų121.788%0.87872%0.718SS**  trans-94.8141.9-154.4-60.9164.2-176.4164.50114.4
167G27.8Very low43.7Very low74 Ų74126.3 Ų126.376%0.76375%0.749SS**  trans-116132.2157.100000111.2
168P34.8Very low41.5Very low121 Ų121123.8 Ų123.879%0.78675%0.751SS**  trans-102.1-176.2-178.645-39000111.2
169P45.5Very low39.2Very low114 Ų114129 Ų12974%0.7477%0.769SS**  -118.5149.4-9533.3-16.4000113.6
170H31.3Very low37.1Very low199 Ų199132.7 Ų132.792%0.92179%0.791SS**  trans-116.8153.1165.4-92.3-91.5000112.1
171S32.3Very low35.6Very low96 Ų96130.9 Ų130.967%0.67180%0.798SS**  trans-134150.3-174.767.10000111
172K31Very low33.8Very low195 Ų195131.5 Ų131.585%0.84881%0.805SS**  trans71148.8-179.7-50.8174.7-174.4175.70114.3
173S30.3Very low33Very low106 Ų106128.7 Ų128.774%0.74180%0.803SS**  cis-171.8131.4-2148.70000111.7
174G27.8Very low32.5Very low75 Ų75131.6 Ų131.677%0.77381%0.812SS**  trans78.5121.6136.900000120.7
175A29.7Very low32.1Very low117 Ų117129 Ų12997%0.96781%0.807SS**  trans69.1143.1150.600000119.6
176G28.3Very low31.7Very low83 Ų83128.6 Ų128.686%0.85681%0.81SS**  trans157.584.7174.600000113.2
177T29.3Very low31.6Very low148 Ų148126.7 Ų126.791%0.90881%0.809SS**  trans-67.2153.7171.647.20000113.1
178G27.8Very low31.5Very low66 Ų66126.7 Ų126.768%0.6881%0.809SS**  trans134.6101.5143.100000117.3
179E28.5Very low31.3Very low202 Ų202130.3 Ų130.394%0.94482%0.816SS**  trans54.4144.6135.7-63.8173.6132.900123
180E34Very low30.4Very low183 Ų183129.7 Ų129.786%0.85582%0.821SS**  trans-35.8169.7162.6-80.3-172-173.400118.1
181P43.7Very low30.1Very low120 Ų120123.7 Ų123.778%0.77981%0.813SS**  cis-145.6-170.427.843.8-24.3000117.7
182G27.2Very low30.8Very low62 Ų62124.2 Ų124.264%0.63981%0.814SS**  108.670.4121.200000120.2
183S32.4Very low30.9Very low101 Ų101123.8 Ų123.871%0.70682%0.815SS**  trans34.8123.613360.70000122.5
184Q31.8Very low30.9Very low197 Ų197125.4 Ų125.492%0.92182%0.815SS**  trans67.8137.7134.9-62.5173.9-19.700120.7
185G27.2Very low30.9Very low75 Ų75125.9 Ų125.977%0.77381%0.806SS**  trans166.575.7167.100000117.7
186L30.5Very low30.8Very low164 Ų164126 Ų12686%0.85980%0.795SS**  trans17.3139.7150.3-58.1170.5000123.1
187N31.5Very low30.8Very low162 Ų162132.4 Ų132.487%0.86679%0.794SS**  trans-0.3143.1153.7-53.81.5000121.2
188G26.1Very low30.8Very low74 Ų74133.4 Ų133.476%0.76379%0.788SS**  trans172.396.7157.400000117.1
189E30.1Very low30.9Very low197 Ų197136.3 Ų136.392%0.92179%0.793SS**  trans39.1159144.8-68.4-173.18300125.7
190A28.6Very low31.5Very low102 Ų102131.7 Ų131.784%0.84378%0.78SS**  trans75.8142.1156.700000120.7
191G24.6Very low31.5Very low73 Ų73127.5 Ų127.575%0.75377%0.771SS**  trans-99.8-138.5168.700000111.6
192P47.2Very low31.1Very low107 Ų107129.6 Ų129.670%0.69577%0.77SS**  cis-132.8-166.2-1.343.8-27000113.6
193E32.4Very low31.4Very low185 Ų185133.5 Ų133.586%0.86477%0.772SS**  trans64.9156.4156.5-74.4169.1-156.300118.3
194D29.8Very low31.4Very low141 Ų141135.1 Ų135.175%0.75477%0.773SS**  cis-162.3159.5-16.916845.2000108.6
195S28.6Very low31.2Very low84 Ų84128.6 Ų128.659%0.58776%0.758SS**  trans68.4152.5156.3128.50000119.4
196T27.7Very low32.3Very low120 Ų120130.1 Ų130.174%0.73675%0.754SS**  cis-156143.2-16.416.90000111
197R28.9Very low32.5Very low218 Ų218129 Ų12982%0.82375%0.754SS**  38.6121.6126.2-154.2-159.5-169.5151.34.3119.8
198E28.4Very low32.6Very low168 Ų168125.2 Ų125.279%0.78575%0.746SS**  -173.9156.5101.9-98-170172.800114.7
199T29.1Very low32.9Very low127 Ų127130 Ų13078%0.77975%0.746SS**  trans-103.8-176.3175.155.90000110.1
200P42.8Very low32.9Very low106 Ų106124.4 Ų124.469%0.68873%0.733SS**  -158.9161.594.839.9-20.8000118.8
201S32.7Very low32.8Very low94 Ų94128.4 Ų128.466%0.65773%0.728SS**  trans65.5153.4140.865.30000120.9
202Q35.3Very low33Very low164 Ų164130.7 Ų130.777%0.76673%0.728SS**  cis-174.1164.7-10.4-108.5171-80.200106.2
203E33.8Very low31.9Very low144 Ų144129.2 Ų129.267%0.67373%0.731SS**  cis-167.6168-10.1-135.3-175.6-92.400105.9
204N32.4Very low31.5Very low136 Ų136129.5 Ų129.573%0.72773%0.73SS**  cis-139.5-130.3-4.1-157.6-39.4000106.3
205G27.3Very low31.4Very low59 Ų59128.3 Ų128.361%0.60873%0.733SS**  cis148.6160.8-9.700000113.3
206P50.3Low31.4Very low107 Ų107129.3 Ų129.370%0.69574%0.74SS**  cis-136.4140.8-4.639.5-21.3000117.3
207T35.7Very low31.4Very low140 Ų140131.2 Ų131.286%0.85975%0.746SS**  trans66150.8138.8600000121.2
208A33.8Very low31.3Very low84 Ų84125.9 Ų125.969%0.69474%0.741SS**  cis-170.4173.43.700000108.4
209K32.3Very low31.3Very low175 Ų175127.1 Ų127.176%0.76175%0.747SS**  cis-163.4151.4-6.5-107.1171.6179.9177.80106.5
210A29.8Very low31.3Very low79 Ų79132.3 Ų132.365%0.65375%0.753SS**  67.7137.869.800000115.1
211Y26.5Very low30.5Very low186 Ų186130.8 Ų130.873%0.72976%0.757SS**  cis-149.3135.240.3-104.2-99.3000116.4
212T27.5Very low30.3Very low121 Ų121132.4 Ų132.474%0.74276%0.762SS**  trans39.8140.3135.563.90000124.7
213G24.9Very low29.9Very low75 Ų75134.3 Ų134.377%0.77377%0.771SS**  trans-95.7-160.1158.300000114.8
214F23.4Very low29.8Very low191 Ų191132.7 Ų132.784%0.83878%0.783SS**  trans-150.4145.9-176.3-169.9-92.6000112.1
215S27.3Very low29.6Very low116 Ų116129.8 Ų129.881%0.81179%0.785SS**  trans-133.5154.7175.1-580000111.1
216S29.6Very low29.7Very low106 Ų106136 Ų13674%0.74180%0.798SS**  trans-143.9152.6177.154.40000112.5
217N27.3Very low28.8Very low160 Ų160137.3 Ų137.386%0.85680%0.804SS**  trans-85.3151.4-163.3-75.4-12.7000116.2
218S28.2Very low28.3Very low105 Ų105134.2 Ų134.273%0.73480%0.8SS**  trans32.2128.5130.5179.40000120
219E27.9Very low28.2Very low194 Ų194138.3 Ų138.391%0.90781%0.805SS**  -162.3175.1104.9-110.1-171.1150.500115.6
220R28Very low28.7Very low236 Ų236135.8 Ų135.889%0.89181%0.806SS**  trans-91.8145.9-157.3-169.8-170.6-150.7-159.86.9113.4
221G25.6Very low28.6Very low75 Ų75134.8 Ų134.877%0.77380%0.804SS**  trans-158.9127.7167.800000112.8
222T28.8Very low28.9Very low127 Ų127133.1 Ų133.178%0.77981%0.806SS**  trans-135.3129.4-177.850.70000111.1
223E28.6Very low29.3Very low204 Ų204133.4 Ų133.495%0.95381%0.809SS**  trans-136156158.9-71.4-161.3118.600109.8
224A31.4Very low29.7Very low111 Ų111136.3 Ų136.392%0.91781%0.813SS**  trans-145.1148.8-177.200000110.6
225G26.5Very low30Very low75 Ų75131 Ų13177%0.77381%0.811SS**  trans-150.1141.5-177.800000113.3
226Q31Very low30.2Very low189 Ų189135.1 Ų135.188%0.88382%0.818SS**  trans-161.6155.2-165.8-107.9-174.5-4.700109.7
227V30Very low30.3Very low134 Ų134135 Ų13581%0.81282%0.823SS**  cis-137.7164-4.2-157.20000107.2
228G25.8Very low30.5Very low75 Ų75130.7 Ų130.777%0.77382%0.817SS**  trans-173.271.3174.100000118.1
229E31.5Very low31.5Very low171 Ų171132.3 Ų132.380%0.79983%0.825SS**  trans-73168.4151.7-118.1-151.8105.200110
230P42.3Very low31.6Very low122 Ų122128.5 Ų128.579%0.79282%0.82SS**  cis-149.5178.441.843.6-24000118.5
231G28.1Very low31.5Very low58 Ų58123.3 Ų123.360%0.59882%0.818SS**  124.199.6128.500000118.9
232I34.2Very low31.7Very low151 Ų151124.9 Ų124.977%0.77482%0.818SS**  trans-74148.7168.7-59.2159.7000110.8T234I232-T234 HydrophobicContact CG2-CG2 4.26Å
233P35.3Very low31.8Very low126 Ų126124.8 Ų124.882%0.81882%0.822SS**  -126.5147.3126.836.2-30.9000113.2
234T33.3Very low31.8Very low137 Ų137120.3 Ų120.384%0.8482%0.82SS**  trans-81.6155.7-176.349.40000113.5I232I232-T234 HydrophobicContact CG2-CG2 4.26Å
235G28.2Very low31.7Very low79 Ų79120.8 Ų120.881%0.81482%0.816SS**  trans-167.7109.816700000112.6
236E32.8Very low31.7Very low202 Ų202124.6 Ų124.694%0.94482%0.819SS**  trans-80.4145.2170.7-60.5174.8116.700111
237A32.1Very low31.7Very low103 Ų103124.6 Ų124.685%0.85182%0.816SS**  trans-159.4109.5156.800000110.6
238G31.1Very low31.6Very low71 Ų71125.3 Ų125.373%0.73282%0.815SS**  trans-76.5168.6165.400000112.4
239P49.5Very low31.8Very low138 Ų138127.6 Ų127.690%0.89682%0.816SS**  trans-84.4137.6-171.632.8-34.9000113.5
240S29.7Very low31.7Very low115 Ų115130.2 Ų130.280%0.80482%0.818SS**  trans-165.9123.5157.3-1680000112.8
241C26.1Very low31.1Very low127 Ų127131.5 Ų131.586%0.85882%0.824SS**  -172150.7107.853.20000111.2
242S29.3Very low31.1Very low108 Ų108133 Ų13376%0.75583%0.831SS**  trans-106.8153.1-171-45.20000112.9
243S31.2Very low31Very low124 Ų124135.8 Ų135.887%0.86784%0.837SS**  trans40113.8141.2-53.10000120.2
244A28.2Very low30.7Very low110 Ų110135.6 Ų135.691%0.90984%0.839SS**  trans-138.5126.6147.200000109.7
245S29.6Very low30.6Very low121 Ų121138.8 Ų138.885%0.84684%0.841SS**  trans-109.5150-17652.10000111.9
246D27.1Very low30.8Very low155 Ų155144.3 Ų144.383%0.82984%0.843SS**  trans-148.5170.5162.3-140.7-27000112.2
247K29.3Very low30.7Very low189 Ų189143 Ų14382%0.82283%0.834SS**  trans-97.9155.1-142.9-65.4168.7-171.7173.70117.2
248L29.1Very low30.7Very low150 Ų150145.9 Ų145.979%0.78583%0.83SS**  trans-57.6158.5169.1-68.7168000114
249P30.8Very low30.6Very low123 Ų123150.1 Ų150.180%0.79984%0.836SS**  -119161.2122.235.3-32.6000113.3
250R29.5Very low29.9Very low225 Ų225147.7 Ų147.785%0.84982%0.823SS**  trans-102.9178.1179.4-84.9-177.1167.2-176.9-3112.2
251V29.5Very low30.4Very low149 Ų149150 Ų15090%0.90382%0.82SS**  trans85134170.5-170.90000112.2
252A27.7Very low30.6Very low90 Ų90151.1 Ų151.174%0.74482%0.818SS**  cis-131.3166.822.900000115.9
253K30.8Very low31.1Very low210 Ų210153.6 Ų153.691%0.91382%0.817SS**  trans-81.1151.7159.6-61.9-177.6177.5-1770109.9
254S31.1Very low31.2Very low122 Ų122151.8 Ų151.885%0.85381%0.805SS**  trans-123.8145.9164.948.30000110.9
255K31.1Very low31.3Very low203 Ų203153.8 Ų153.888%0.88380%0.8SS**  trans-113.5142.9174-79.6-171171.8-167.50110
256F32Very low31.8Very low195 Ų195157.1 Ų157.186%0.85580%0.803SS**  trans-166.5135162.5-129.8-136.6000104.7
257F31.1Very low32.1Very low174 Ų174154 Ų15476%0.76380%0.799SS**  cis-128.5179.315.6-150.9-96.6000111.2
258E31.4Very low32.5Very low165 Ų165154.5 Ų154.577%0.77180%0.804SS**  trans-147.9171.2-177.8-164.8162-145.500110.6
259D28.8Very low32.8Very low160 Ų160156 Ų15686%0.85681%0.807SS**  trans66.6141.4-167.9-84-19.3000115.8
260S34.8Very low33Very low87 Ų87159.7 Ų159.761%0.60881%0.813SS**  cis-156-176.7-8.963.20000108.3
261E41Very low33.2Very low162 Ų162157.1 Ų157.176%0.75781%0.811SS**  cis-161.9164.88.6-135150.2-52.600107.9
262D29.6Very low33.5Very low151 Ų151158.3 Ų158.381%0.80781%0.807SS**  trans62.4157.5174.8-65.5-5.6000117.8
263E38.8Very low33.5Very low160 Ų160161 Ų16175%0.74881%0.808SS**  cis-163.4162.9-21.4-109.9-77.7-132.500111.4
264S34.5Very low33.6Very low87 Ų87155.4 Ų155.461%0.60880%0.796SS**  trans58.6106.1159.664.70000123.5
265D31Very low33.9Very low151 Ų151158.4 Ų158.481%0.80780%0.796SS**  57.1142.4111.4-61.5-15000122.5
266E39.2Very low34Very low192 Ų192156.6 Ų156.690%0.89779%0.791SS**  cis-131176.21.5-67.7-168.9142.500111.6
267A34Very low33.9Very low90 Ų90152.8 Ų152.874%0.74479%0.787SS**  trans-110.6169.2176.800000112.5
268E37.4Very low34Very low199 Ų199149.9 Ų149.993%0.9379%0.788SS**  -149.7158.9129.4-77-149.3138.200109.3
269E34.8Very low34.2Very low182 Ų182150.8 Ų150.885%0.8579%0.793SS**  trans-105.2160.1-176.6-56.3170.3157.300110.5
270E35Very low34.5Very low200 Ų200152.4 Ų152.494%0.93580%0.795SS**  trans-151.9155.7131.8-78.4-147.6148.600108.8
271E34.5Very low34.5Very low171 Ų171156.9 Ų156.980%0.79981%0.807SS**  trans-139.2167.6-165.4-98.4-79.6-155.700111.2
272E35.4Very low34Very low174 Ų174157 Ų15781%0.81381%0.813SS**  trans65.3160.5172.5-66.2171.6-179.400114.9
273D28Very low34Very low145 Ų145153.1 Ų153.178%0.77581%0.808SS**  cis-139.8179.218.9-162-2.4000112.4
274S32.8Very low33.7Very low93 Ų93156.1 Ų156.165%0.6581%0.814SS**  trans-102179.3-167.7600000114.2
275E36.2Very low33.6Very low185 Ų185156 Ų15686%0.86481%0.813SS**  trans-179.1162.2137.3-97.3-71.5176.400109.5
276E34.3Very low33.8Very low166 Ų166153.3 Ų153.378%0.77681%0.806SS**  trans-135.3170.1-163.1-150.9-169.9156.600114.3
277C29Very low33.5Very low114 Ų114153.4 Ų153.477%0.7781%0.806SS**  trans70.5160.9164.8-62.30000117.9
278S33.2Very low33.7Very low113 Ų113158.1 Ų158.179%0.7981%0.813SS**  cis-140.4159.53.966.20000113.4
279E36.4Very low33.6Very low184 Ų184153.5 Ų153.586%0.8681%0.809SS**  trans-80.5176.9162.6-57.7175.414100111.5
280E33.7Very low33.7Very low194 Ų194153.4 Ų153.491%0.90781%0.809SS**  trans178.8166140.8-90.2-89.1175.400109.5
281E36.2Very low33.6Very low182 Ų182152 Ų15285%0.8581%0.808SS**  trans-140.9133.2-153.2176.8-167.9-131.100115.1
282D29.9Very low33.7Very low165 Ų165152.2 Ų152.288%0.88281%0.808SS**  trans-168.9157.8148.658.18.6000113.8
283G29.8Very low33.9Very low69 Ų69152.4 Ų152.471%0.71181%0.81SS**  cis148.373-20.700000118.4
284Y31.7Very low34.2Very low223 Ų223153.7 Ų153.788%0.87582%0.816SS**  trans-164.9118.1160.5-133.9-102.3000112.4
285S33Very low34.7Very low84 Ų84158.3 Ų158.359%0.58783%0.828SS**  53.9103.493.4-114.80000115.2
286S35.4Very low34.6Very low95 Ų95157.7 Ų157.766%0.66483%0.83SS**  84.3134.470.571.40000114.8
287E33.6Very low34.6Very low193 Ų193156.3 Ų156.390%0.90283%0.828SS**  -172.3160.6125.9-72.1-140.8166.700108.6
288E38.2Very low34.9Very low190 Ų190156 Ų15689%0.88882%0.823SS**  trans-111.5163.3-174.3-63.5-179.3163.900112.8
289A33.7Very low35Very low102 Ų102158.5 Ų158.584%0.84382%0.822SS**  trans-153.9124.9163.300000111.8
290E38.1Very low35.1Very low179 Ų179157.8 Ų157.884%0.83682%0.819SS**  trans-81.8158.3174.4-58.4165.2152.100111.5
291N32.8Very low35.3Very low171 Ų171152.5 Ų152.591%0.91481%0.809SS**  trans-160.9143.4142.7-91.3-61.5000108.9
292E36.6Very low35.3Very low175 Ų175152.2 Ų152.282%0.81881%0.807SS**  trans-113.3177.6179.8-58.3-179.1116.900110.9
293E40Very low35.8Very low179 Ų179153 Ų15384%0.83681%0.806SS**  trans62.1115.1160.3-64.2178.8177.500119.3
294D33.3Very low35.9Very low172 Ų172156.9 Ų156.992%0.9281%0.81SS**  -156.1132.8114.4-104.3-27.7000108.6
295E43.9Very low36.1Very low190 Ų190153 Ų15389%0.88880%0.804SS**  trans-103137.5172.9-60.9179.5144.900109.2
296D33.1Very low36.4Very low172 Ų172157.8 Ų157.892%0.9282%0.817SS**  trans-162.3163.1136-129.2-27.9000113.4
297D35.7Very low36.6Very low136 Ų136161.1 Ų161.173%0.72782%0.822SS**  trans-93.2-177.1-156.4-159.5-2.5000115.6
298T34Very low36.8Very low108 Ų108160.9 Ų160.966%0.66382%0.821SS**  trans89.3116.3146.944.40000124.6
299E36.8Very low36.8Very low166 Ų166159.4 Ų159.478%0.77681%0.814SS**  trans93.2109.1135-52.2-117.4145.200122.4
300E37.5Very low37Very low168 Ų168163.8 Ų163.879%0.78582%0.818SS**  74.8131.2129.4-59.9-67.2146.700123.3
301A38.8Very low36.9Very low84 Ų84162.9 Ų162.969%0.69481%0.813SS**  trans63.2150.1165.800000118.3
302E35.4Very low37.4Very low175 Ų175163 Ų16382%0.81881%0.808SS**  cis-117164.38.2-59.1-79.5177.800112
303E40.5Very low37.4Very low182 Ų182161.9 Ų161.985%0.8581%0.805SS**  trans-88.999.1165.3-67.1170.4145.200108.8
304D31.7Very low37.5Very low151 Ų151160.9 Ų160.981%0.80780%0.802SS**  trans-93.790.8163.7-87.9-38.2000108.2E306D304-E306 VanDerWaalsContact C-N 3.32Å; D304-E306 PolarHBondContact O-N 3.47Å
305D37.2Very low38.2Very low141 Ų141154.1 Ų154.175%0.75477%0.767SS**  trans-6791.9162.2-78.2-49.3000108.3E307D305-E307 HydrophobicContact CB-CG 4.46Å; D305-E307 PolarHBondContact O-N 3.25Å
306E39Very low38Very low184 Ų184151.4 Ų151.486%0.8677%0.766SS**  trans-69.579.3156.8-73.3-168.7157.700107.8D304 E308D304-E306 VanDerWaalsContact C-N 3.32Å; D304-E306 PolarHBondContact O-N 3.47Å; E306-E308 PolarHBondContact O-N 2.73Å
307E38Very low38.6Very low165 Ų165146.1 Ų146.177%0.77175%0.752SS**  trans-55102.5160.3-68.3-173.2138.900107D305 E309D305-E307 HydrophobicContact CB-CG 4.46Å; D305-E307 PolarHBondContact O-N 3.25Å; E307-E309 PolarHBondContact O-N 2.97Å
308E39.1Very low39.2Very low188 Ų188145.8 Ų145.888%0.87975%0.748SS**  trans-63.587.9163-74.9-168.1150.600106.7E306 E310E306-E308 PolarHBondContact O-N 2.73Å; E308-E310 PolarHBondContact O-N 3.47Å; E308-E310 VanDerWaalsContact O-N 3.12Å
309E36.9Very low39.7Very low159 Ų159150.4 Ų150.474%0.74376%0.762SS**  trans-50.8121.1170.5-71.4-171.9134.600107.4E307 E311E307-E309 PolarHBondContact O-N 2.97Å; E309-E311 PolarHBondContact O-N 3.42Å
310E37.9Very low40.5Very low195 Ų195145.5 Ų145.591%0.91176%0.756SS**  trans-68.671.8168.7-68-173.515300108.3E308 E312E308-E310 PolarHBondContact O-N 3.47Å; E308-E310 VanDerWaalsContact O-N 3.12Å; E310-E312 VanDerWaalsContact C-N 3.26Å; E310-E312 PolarHBondContact O-N 2.68Å
311E36.3Very low41.7Very low160 Ų160145.6 Ų145.675%0.74875%0.754SS**  trans-58.295.6165-84.1-157.2136.500107E309 M313E309-E311 PolarHBondContact O-N 3.42Å; E311-M313 WeakPolarHBondContact O-CA 3.5Å; E311-M313 WeakPolarHBondContact O-CG 3.08Å; E311-M313 PolarHBondContact O-N 3.17Å
312E42.8Very low43.4Very low172 Ų172147.2 Ų147.280%0.80475%0.747SS**  trans-49.298.7173.6-174.7175.3-131.600108.1E310 M314E310-E312 VanDerWaalsContact C-N 3.26Å; E310-E312 PolarHBondContact O-N 2.68Å; E312-M314 VanDerWaalsContact C-N 3.29Å; E312-M314 PolarHBondContact O-N 3.5Å
313M37.9Very low45.8Very low153 Ų153144.8 Ų144.875%0.75474%0.736SS**  trans-68.283.1-160.9-79.8-167.8-73.800111.9E311 V315E311-M313 WeakPolarHBondContact O-CA 3.5Å; E311-M313 WeakPolarHBondContact O-CG 3.08Å; E311-M313 PolarHBondContact O-N 3.17Å; M313-V315 PolarHBondContact O-N 3.47Å
314M41Very low48Very low157 Ų157136.8 Ų136.877%0.77370%0.7SS**  trans-57.4108.4176.1-68.1-169.1177.400109.3E312 P316E312-M314 VanDerWaalsContact C-N 3.29Å; E312-M314 PolarHBondContact O-N 3.5Å; M314-P316 WeakPolarHBondContact O-CD 3.36Å
315V49.7Very low50.7Low31 Ų31129.7 Ų129.719%0.18866%0.662CS.*  trans-60.8122-174.9-1750000108.6M313 G317 M318 F405M313-V315 PolarHBondContact O-N 3.47Å; V315-G317 PolarHBondContact O-N 3.35Å; V315-M318 HydrophobicContact CB-CG 4.14Å; V315-M318 HydrophobicContact CB-SD 3.83Å; V315-M318 HydrophobicContact CG2-SD 4.04Å; V315-M318 PolarHBondContact O-N 2.96Å; V315-F405 HydrophobicContact CG1-CE1 4.01Å; V315-F405 HydrophobicContact CG1-CZ 4.01Å
316P39.2Very low53.4Low132 Ų132123.5 Ų123.586%0.85763%0.63SS**THydrogen-bonded Turntrans-57.8105-174.9-29.236.8000112.2M314M314-P316 WeakPolarHBondContact O-CD 3.36Å
317G45.9Very low55.9Low62 Ų62117.3 Ų117.364%0.63960%0.603SS**THydrogen-bonded Turntrans131.5-9.7-171.300000115.4V315 E319V315-G317 PolarHBondContact O-N 3.35Å; G317-E319 PolarHBondContact O-N 3.44Å
318M48.3Very low58.7Low129 Ų129109.6 Ų109.664%0.63557%0.567SS**  trans-82.114.3175.2-62.4-176.68200114.3V315 G320V315-M318 HydrophobicContact CB-CG 4.14Å; V315-M318 HydrophobicContact CB-SD 3.83Å; V315-M318 HydrophobicContact CG2-SD 4.04Å; V315-M318 PolarHBondContact O-N 2.96Å; M318-G320 PolarHBondContact O-N 3.49Å
319E43.5Very low61.5Low204 Ų204100.7 Ų100.795%0.95353%0.525SS*.  trans-77.467.5169.7-66.9-171130.400110.9G317G317-E319 PolarHBondContact O-N 3.44Å
320G53.6Low64.4Low64 Ų6493.1 Ų93.166%0.6649%0.49SS*.SBendtrans-157.2173.9-176.600000114.5M318M318-G320 PolarHBondContact O-N 3.49Å
321K63.3Low67.3Low170 Ų17083.9 Ų83.974%0.73945%0.447SS*.  trans-73.3137.1157.1-62.7175.7-179.6175.20106.6E323K321-E323 PolarHBondContact O-N 2.94Å
322E74.1Confident70.3Confident118 Ų11876.2 Ų76.255%0.55141%0.411SS*.  trans-62.2135.1177-39.3133.1145.400109.8R120 P324 D327R120-E322 IonicContact CZ-OE2 2.76Å; R120-E322 VanDerWaalsContact CZ-OE2 3.23Å; R120-E322 PolarHBondContact NH1-O 3.2Å; R120-E322 IonicContact NH1-OE2 2.93Å; R120-E322 PolarHBondContact NH1-OE2 3.42Å; R120-E322 IonicContact NH2-OE2 2.66Å; R120-E322 PolarHBondContact NH2-OE2 2.94Å; E322-P324 WeakPolarHBondContact O-CD 3.5Å; E322-D327 WeakPolarHBondContact CA-OD2 3.37Å; E322-D327 HydrophobicContact CB-CB 4.32Å
323E85.2Confident72.9Confident123 Ų12368 Ų6858%0.57537%0.373SS*.  trans-98.4113.1-178.2-73.8-178.5178.700110.4K321 G325 S326 D327K321-E323 PolarHBondContact O-N 2.94Å; E323-G325 PolarHBondContact O-N 2.59Å; E323-S326 WeakPolarHBondContact O-CA 3.36Å; E323-S326 WeakPolarHBondContact O-CB 2.96Å; E323-S326 PolarHBondContact O-N 3Å; E323-D327 PolarHBondContact N-OD2 2.89Å; E323-D327 PolarHBondContact O-N 3.37Å
324P87.3Confident75.8Confident15 Ų1560.8 Ų60.810%0.09734%0.337CS..THydrogen-bonded Turntrans-52.5127.1179.1-31.738.4000113.7E66 L114 A118 E322 S326E66-P324 HydrophobicContact CG-CB 4Å; E66-P324 WeakPolarHBondContact OE1-CB 3.38Å; L114-P324 HydrophobicContact CB-CB 3.69Å; A118-P324 HydrophobicContact CB-CG 4.45Å; E322-P324 WeakPolarHBondContact O-CD 3.5Å; P324-S326 PolarHBondContact O-N 3.01Å
325G88.5Confident78.6Confident2 Ų253.3 Ų53.32%0.02130%0.3CS..THydrogen-bonded Turntrans78.3-11.8-175.600000115.5E323 S328 G402 D403 H404E323-G325 PolarHBondContact O-N 2.59Å; G325-S328 CarbonylContact C-O 3.57Å; G325-S328 WeakPolarHBondContact CA-O 3.45Å; G325-S328 PolarHBondContact N-OG 2.84Å; G325-G402 CarbonylContact O-C 3.53Å; G325-D403 PolarHBondContact O-N 3.08Å; G325-H404 PolarHBondContact O-N 3Å; G325-H404 PolarHBondContact O-ND1 2.97Å
326S93Very high80.9Confident10 Ų1051.9 Ų51.97%0.0729%0.292CS..THydrogen-bonded Turntrans-86.8-51.9163.4174.40000110.8E323 P324 D403 H404 F405 R408E323-S326 WeakPolarHBondContact O-CA 3.36Å; E323-S326 WeakPolarHBondContact O-CB 2.96Å; E323-S326 PolarHBondContact O-N 3Å; P324-S326 PolarHBondContact O-N 3.01Å; S326-D403 CarbonylContact O-C 3.54Å; S326-D403 VanDerWaalsContact O-CA 3.31Å; S326-D403 WeakPolarHBondContact O-CA 3.22Å; S326-H404 PolarHBondContact O-N 3.17Å; S326-F405 WeakPolarHBondContact O-CB 3.45Å; S326-F405 PolarHBondContact O-N 2.93Å; S326-F405 PolarHBondContact OG-N 2.78Å; S326-R408 PolarHBondContact OG-NH2 3.03Å
327D92.9Very high83.7Confident55 Ų5545.6 Ų45.629%0.29425%0.251SS..THydrogen-bonded Turntrans-110-7.1-169.2-44.9-30.8000111.5E322 E323E322-D327 WeakPolarHBondContact CA-OD2 3.37Å; E322-D327 HydrophobicContact CB-CB 4.32Å; E323-D327 PolarHBondContact N-OD2 2.89Å; E323-D327 PolarHBondContact O-N 3.37Å
328S95.6Very high86.1Confident3 Ų345.4 Ų45.42%0.02123%0.231CC..  trans-111.8155.5167.261.40000111.3H62 G63 E66 G325 D403H62-S328 CarbonylContact O-C 3.52Å; H62-S328 VanDerWaalsContact O-CA 3.3Å; H62-S328 WeakPolarHBondContact O-CA 3.36Å; G63-S328 WeakPolarHBondContact O-CB 3.2Å; E66-S328 WeakPolarHBondContact OE1-CB 3.47Å; E66-S328 PolarHBondContact OE1-OG 3.22Å; G325-S328 CarbonylContact C-O 3.57Å; G325-S328 WeakPolarHBondContact CA-O 3.45Å; G325-S328 PolarHBondContact N-OG 2.84Å; S328-D403 PolarHBondContact O-N 3.22Å
329G97.8Very high88.2Confident0 Ų041.6 Ų41.60%023%0.225CC..EExtended strand (participates in β ladder)trans-158.2-173.9-177.900000113H62 I401H62-G329 VanDerWaalsContact CE1-C 3.41Å; H62-G329 PolarHBondContact N-O 3.02Å; H62-G329 PolarHBondContact O-N 2.92Å; G329-I401 CarbonylContact C-O 3.58Å; G329-I401 VanDerWaalsContact CA-O 3.24Å; G329-I401 WeakPolarHBondContact CA-O 3.49Å
330T98.8Very high90.6Very high0 Ų037.7 Ų37.70%021%0.205CC..EExtended strand (participates in β ladder)trans-156.5143.5175.8-167.90000111.8Y59 D60 V67 A68 C71 A400 I401Y59-T330 WeakPolarHBondContact CB-OG1 3.08Å; D60-T330 CarbonylContact O-C 3.44Å; D60-T330 WeakPolarHBondContact O-CA 3.47Å; D60-T330 WeakPolarHBondContact O-CB 3.41Å; D60-T330 PolarHBondContact O-OG1 3.42Å; V67-T330 HydrophobicContact CB-CG2 4.27Å; V67-T330 HydrophobicContact CG1-CG2 3.79Å; A68-T330 WeakPolarHBondContact CB-OG1 3.2Å; C71-T330 HydrophobicContact CB-CG2 4.46Å; T330-A400 WeakPolarHBondContact O-CA 3.14Å; T330-A400 WeakPolarHBondContact O-CB 3.33Å; T330-I401 HydrophobicContact CG2-CB 4.18Å; T330-I401 PolarHBondContact N-O 3.08Å; T330-I401 PolarHBondContact O-N 2.8Å
331T98.7Very high92.7Very high1 Ų139 Ų391%0.00619%0.194CC..  trans-69.3163.3162.576.60000109.9Y59 D60 A347 D349 S350 L397Y59-T331 VanDerWaalsContact CA-O 3.29Å; Y59-T331 WeakPolarHBondContact CA-O 3.41Å; D60-T331 HydrophobicContact CB-CG2 3.95Å; D60-T331 WeakPolarHBondContact CB-OG1 3.48Å; D60-T331 PolarHBondContact N-OG1 3.49Å; D60-T331 PolarHBondContact O-N 2.84Å; T331-A347 CarbonylContact C-O 3.55Å; T331-A347 VanDerWaalsContact CA-O 3.3Å; T331-A347 WeakPolarHBondContact CA-O 3.47Å; T331-A347 WeakPolarHBondContact CB-O 3.23Å; T331-D349 WeakPolarHBondContact CG2-OD1 3.42Å; T331-S350 PolarHBondContact OG1-OG 3.37Å; T331-L397 HydrophobicContact CG2-CD2 3.95Å
332A98.8Very high94.4Very high0 Ų031 Ų310%016%0.159CC..EExtended strand (participates in β ladder)trans-148.5108.3174.700000111.3Y59 F98 N346 A347 I401Y59-A332 HydrophobicContact CD1-CB 3.81Å; Y59-A332 HydrophobicContact CE1-CB 4.11Å; F98-A332 HydrophobicContact CD1-CB 4.43Å; F98-A332 HydrophobicContact CE1-CB 3.56Å; F98-A332 WeakPolarHBondContact CE1-O 3.29Å; F98-A332 HydrophobicContact CZ-CB 3.82Å; A332-N346 WeakPolarHBondContact O-CA 3.32Å; A332-N346 PolarHBondContact O-OD1 2.94Å; A332-A347 PolarHBondContact N-O 3.23Å; A332-A347 PolarHBondContact O-N 3.34Å; A332-I401 HydrophobicContact CB-CD1 3.71Å
333V98.9Very high95.5Very high0 Ų025.4 Ų25.40%013%0.133CC..EExtended strand (participates in β ladder)trans-104.1116.4168.658.90000109.2S57 V58 V344 A345 N346 S350 C352 I439S57-V333 WeakPolarHBondContact CA-O 3.37Å; S57-V333 WeakPolarHBondContact CB-O 3.13Å; V58-V333 HydrophobicContact CB-CG1 3.95Å; V58-V333 PolarHBondContact N-O 2.76Å; V58-V333 VanDerWaalsContact N-O 3.17Å; V58-V333 WeakPolarHBondContact O-CG1 3.26Å; V58-V333 PolarHBondContact O-N 3.22Å; V58-V333 VanDerWaalsContact O-N 3.1Å; V333-V344 HydrophobicContact CG2-CG1 4.15Å; V333-A345 CarbonylContact C-O 3.51Å; V333-A345 WeakPolarHBondContact CA-O 3.1Å; V333-N346 WeakPolarHBondContact CB-OD1 3.48Å; V333-S350 VanDerWaalsContact CG1-CB 3.49Å; V333-C352 HydrophobicContact CG2-CB 3.75Å; V333-I439 HydrophobicContact CB-CG2 4.28Å; V333-I439 HydrophobicContact CG1-CG2 3.31Å; V333-I439 HydrophobicContact CG2-CG2 4.02Å
334V98.9Very high96.2Very high0 Ų019.6 Ų19.60%011%0.106CC..EExtended strand (participates in β ladder)trans-126.5115.6-172.5179.10000110.8M55 Y59 L75 I79 L94 F98 V344 A345M55-V334 HydrophobicContact CE-CG1 3.92Å; M55-V334 HydrophobicContact CG-CG1 4.34Å; Y59-V334 HydrophobicContact CE1-CG2 4.32Å; L75-V334 HydrophobicContact CD2-CG2 3.93Å; I79-V334 HydrophobicContact CD1-CG1 4.18Å; L94-V334 HydrophobicContact CD2-CB 4.41Å; L94-V334 HydrophobicContact CD2-CG1 3.83Å; F98-V334 HydrophobicContact CE2-CB 4.18Å; F98-V334 HydrophobicContact CE2-CG2 3.8Å; F98-V334 HydrophobicContact CZ-CB 4.17Å; F98-V334 HydrophobicContact CZ-CG2 3.68Å; V334-V344 CarbonylContact O-C 3.48Å; V334-V344 WeakPolarHBondContact O-CA 3.42Å; V334-A345 HydrophobicContact CB-CB 4.49Å; V334-A345 PolarHBondContact N-O 3.25Å; V334-A345 PolarHBondContact O-N 2.69Å
335A98.8Very high96.8Very high0 Ų018.9 Ų18.90%010%0.101CC..EExtended strand (participates in β ladder)trans-102.5116.3175.200000111.3M55 F56 L342 I343 V344 M437 I439M55-A335 WeakPolarHBondContact CA-O 3.5Å; F56-A335 PolarHBondContact N-O 3.34Å; F56-A335 PolarHBondContact O-N 2.87Å; A335-L342 HydrophobicContact CB-CD1 3.99Å; A335-I343 CarbonylContact C-O 3.59Å; A335-I343 WeakPolarHBondContact CA-O 3.47Å; A335-V344 HydrophobicContact CB-CG2 4.08Å; A335-M437 HydrophobicContact CB-CE 3.75Å; A335-M437 HydrophobicContact CB-SD 4.27Å; A335-I439 HydrophobicContact CB-CD1 3.65Å
336L98.6Very high97.2Very high1 Ų118.9 Ų18.91%0.00510%0.101CC..EExtended strand (participates in β ladder)trans-98130.9166.2-61.5-174.3000110.2L49 T53 A54 M55 I79 Y85 L90 L94 I343L49-L336 HydrophobicContact CD2-CD2 3.92Å; T53-L336 HydrophobicContact CG2-CB 4.49Å; A54-L336 WeakPolarHBondContact O-CA 3.36Å; M55-L336 HydrophobicContact CB-CD2 3.69Å; M55-L336 HydrophobicContact CG-CD2 3.84Å; M55-L336 HydrophobicContact SD-CD2 4.28Å; I79-L336 HydrophobicContact CG2-CD1 4.24Å; Y85-L336 HydrophobicContact CE2-CD1 4.29Å; L90-L336 HydrophobicContact CD2-CD1 4.36Å; L94-L336 HydrophobicContact CD1-CD1 3.94Å; L94-L336 HydrophobicContact CD1-CG 4.16Å; L94-L336 HydrophobicContact CD2-CD1 3.93Å; L94-L336 HydrophobicContact CD2-CG 4.13Å; L94-L336 HydrophobicContact CG-CD1 3.99Å; L336-I343 PolarHBondContact N-O 3.47Å; L336-I343 PolarHBondContact O-N 3.03Å
337I97.8Very high97.5Very high0 Ų018.4 Ų18.40%010%0.097CC..EExtended strand (participates in β ladder)trans-116.1114.2171.5-60167.1000108.8L23 L25 T53 A54 Q341 L342 L430 M437 F506L23-I337 HydrophobicContact CD1-CG2 4.16Å; L23-I337 HydrophobicContact CD2-CG2 4.16Å; L25-I337 HydrophobicContact CD1-CB 4.32Å; L25-I337 HydrophobicContact CD1-CD1 3.65Å; L25-I337 HydrophobicContact CD1-CG2 4.25Å; L25-I337 HydrophobicContact CD2-CD1 4.5Å; T53-I337 WeakPolarHBondContact CA-O 3.33Å; A54-I337 PolarHBondContact N-O 2.84Å; A54-I337 PolarHBondContact O-N 3.28Å; I337-Q341 WeakPolarHBondContact CA-O 3.41Å; I337-L342 HydrophobicContact CD1-CD1 4.4Å; I337-L342 HydrophobicContact CG1-CD1 3.73Å; I337-L430 HydrophobicContact CG2-CD1 4.27Å; I337-M437 HydrophobicContact CD1-CE 3.63Å; I337-M437 HydrophobicContact CD1-SD 4.15Å; I337-M437 HydrophobicContact CG1-CE 4.39Å; I337-F506 HydrophobicContact CD1-CD1 4.46Å; I337-F506 HydrophobicContact CD1-CE1 3.94Å
338R95.3Very high97.8Very high58 Ų5815.8 Ų15.822%0.2198%0.083CC..EExtended strand (participates in β ladder)trans-121107.8172.5-173.2175.6-75.9175-6.4110D50 E52 T53 Y85 L90 K340 Q341D50-R338 IonicContact OD2-CZ 3.99Å; D50-R338 IonicContact OD2-NH2 2.86Å; D50-R338 PolarHBondContact OD2-NH2 2.93Å; E52-R338 HydrophobicContact CB-CG 4.29Å; T53-R338 HydrophobicContact CG2-CB 4.3Å; T53-R338 VanDerWaalsContact OG1-CZ 3.31Å; T53-R338 PolarHBondContact OG1-NE 2.93Å; T53-R338 PolarHBondContact OG1-NH2 2.94Å; Y85-R338 VanDerWaalsContact CZ-NH2 3.26Å; Y85-R338 PolarHBondContact OH-NH2 2.68Å; Y85-R338 VanDerWaalsContact OH-NH2 3.15Å; L90-R338 HydrophobicContact CD1-CB 4.01Å; R338-K340 PolarHBondContact O-N 3.33Å; R338-Q341 PolarHBondContact N-O 3.16Å; R338-Q341 PolarHBondContact O-N 2.71Å
339G92.6Very high97.9Very high50 Ų5015.8 Ų15.852%0.5158%0.083SC..THydrogen-bonded Turntrans62.5-101.1-176.600000112.8
340K94.4Very high97.9Very high121 Ų12115.8 Ų15.853%0.5268%0.083SC..THydrogen-bonded Turntrans-111.5-0.6175.6-86.8-170.9167.8-108.80114.2R338 T429 L430R338-K340 PolarHBondContact O-N 3.33Å; K340-T429 WeakPolarHBondContact O-CA 3.35Å; K340-L430 PolarHBondContact NZ-O 2.84Å; K340-L430 PolarHBondContact O-N 2.79Å
341Q97.3Very high97.9Very high93 Ų9317.6 Ų17.644%0.4359%0.09SC..EExtended strand (participates in β ladder)trans-91.1123.9173.7-66.7-176.12800109.6I337 R338I337-Q341 WeakPolarHBondContact CA-O 3.41Å; R338-Q341 PolarHBondContact N-O 3.16Å; R338-Q341 PolarHBondContact O-N 2.71Å
342L98.6Very high97.9Very high0 Ų017.5 Ų17.50%09%0.09CC..EExtended strand (participates in β ladder)trans-96.5128.6159.116964.3000107.4A335 I337 V344 V354 M363 V427 L428 L430 M437 F506A335-L342 HydrophobicContact CB-CD1 3.99Å; I337-L342 HydrophobicContact CD1-CD1 4.4Å; I337-L342 HydrophobicContact CG1-CD1 3.73Å; L342-V344 HydrophobicContact CD1-CG2 3.93Å; L342-V344 HydrophobicContact CD2-CG2 4.41Å; L342-V344 HydrophobicContact CG-CG2 4.09Å; L342-V354 HydrophobicContact CD2-CG2 3.77Å; L342-M363 HydrophobicContact CD2-CE 4.19Å; L342-M363 HydrophobicContact CD2-CG 4.32Å; L342-M363 HydrophobicContact CG-CE 4.28Å; L342-V427 WeakPolarHBondContact O-CA 3.19Å; L342-L428 HydrophobicContact CB-CB 4.36Å; L342-L428 HydrophobicContact CD2-CD2 4.26Å; L342-L428 PolarHBondContact N-O 3.42Å; L342-L428 PolarHBondContact O-N 3.29Å; L342-L430 HydrophobicContact CB-CD1 4.42Å; L342-L430 HydrophobicContact CB-CD2 4.14Å; L342-L430 HydrophobicContact CB-CG 4.26Å; L342-L430 HydrophobicContact CD2-CD2 4.49Å; L342-M437 HydrophobicContact CD1-CE 4.39Å; L342-M437 HydrophobicContact CD1-SD 3.66Å; L342-M437 HydrophobicContact CD2-SD 4Å; L342-F506 HydrophobicContact CD2-CZ 4.14Å
343I98.8Very high97.9Very high2 Ų217.5 Ų17.51%0.019%0.09CC..EExtended strand (participates in β ladder)trans-126.1120.3176.3-58.8175000106.5L90 Q91 L94 A335 L336 I425 V427L90-I343 HydrophobicContact CB-CD1 3.41Å; L90-I343 VanDerWaalsContact CB-CD1 3.41Å; L90-I343 HydrophobicContact CD1-CD1 3.93Å; L90-I343 HydrophobicContact CG-CD1 4.32Å; Q91-I343 HydrophobicContact CG-CG2 4.45Å; L94-I343 HydrophobicContact CD1-CG2 3.63Å; A335-I343 CarbonylContact C-O 3.59Å; A335-I343 WeakPolarHBondContact CA-O 3.47Å; L336-I343 PolarHBondContact N-O 3.47Å; L336-I343 PolarHBondContact O-N 3.03Å; I343-I425 HydrophobicContact CG2-CG2 3.83Å; I343-V427 HydrophobicContact CG1-CG1 4.07Å; I343-V427 HydrophobicContact CG1-CG2 4.08Å; I343-V427 HydrophobicContact CG2-CG2 4.22Å
344V98.9Very high97.9Very high1 Ų117.5 Ų17.51%0.0069%0.09CC..EExtended strand (participates in β ladder)trans-112128.7177.7177.20000108.7V333 V334 A335 L342 C352 M363 I425 K426V333-V344 HydrophobicContact CG2-CG1 4.15Å; V334-V344 CarbonylContact O-C 3.48Å; V334-V344 WeakPolarHBondContact O-CA 3.42Å; A335-V344 HydrophobicContact CB-CG2 4.08Å; L342-V344 HydrophobicContact CD1-CG2 3.93Å; L342-V344 HydrophobicContact CD2-CG2 4.41Å; L342-V344 HydrophobicContact CG-CG2 4.09Å; V344-C352 HydrophobicContact CG1-CB 3.92Å; V344-C352 HydrophobicContact CG2-CB 4.45Å; V344-M363 HydrophobicContact CB-CB 4.33Å; V344-M363 HydrophobicContact CB-CE 4.26Å; V344-M363 HydrophobicContact CG2-CB 3.94Å; V344-M363 HydrophobicContact CG2-CE 3.95Å; V344-I425 CarbonylContact O-C 3.54Å; V344-I425 WeakPolarHBondContact O-CA 3.48Å; V344-K426 PolarHBondContact N-O 2.76Å; V344-K426 PolarHBondContact O-N 2.84Å
345A98.9Very high97.9Very high0 Ų017.5 Ų17.50%09%0.09CC..EExtended strand (participates in β ladder)trans-104.6137.7165.200000108.6L94 F98 V333 V334 P423 D424 I425L94-A345 HydrophobicContact CB-CB 3.95Å; L94-A345 HydrophobicContact CD1-CB 3.99Å; L94-A345 HydrophobicContact CD2-CB 4.34Å; L94-A345 HydrophobicContact CG-CB 4.32Å; F98-A345 HydrophobicContact CE2-CB 3.97Å; F98-A345 HydrophobicContact CZ-CB 3.88Å; V333-A345 CarbonylContact C-O 3.51Å; V333-A345 WeakPolarHBondContact CA-O 3.1Å; V334-A345 HydrophobicContact CB-CB 4.49Å; V334-A345 PolarHBondContact N-O 3.25Å; V334-A345 PolarHBondContact O-N 2.69Å; A345-P423 HydrophobicContact CB-CB 3.88Å; A345-P423 HydrophobicContact CB-CG 4.12Å; A345-D424 CarbonylContact C-O 3.58Å; A345-D424 WeakPolarHBondContact CA-O 3.33Å; A345-I425 HydrophobicContact CB-CD1 3.48Å; A345-I425 VanDerWaalsContact CB-CD1 3.48Å
346N98.9Very high97.8Very high1 Ų121.4 Ų21.41%0.00511%0.108CC..EExtended strand (participates in β ladder)trans-135.1134.8170.7-168.937.8000112.5A332 V333 G348 S350 S364 Y365 H367 P423 D424A332-N346 WeakPolarHBondContact O-CA 3.32Å; A332-N346 PolarHBondContact O-OD1 2.94Å; V333-N346 WeakPolarHBondContact CB-OD1 3.48Å; N346-G348 PolarHBondContact ND2-O 3Å; N346-S350 PolarHBondContact ND2-O 2.83Å; N346-S350 PolarHBondContact OD1-O 2.58Å; N346-S364 VanDerWaalsContact CB-CB 3.48Å; N346-Y365 PolarHBondContact ND2-O 3.04Å; N346-H367 PolarHBondContact O-CE1 2.86Å; N346-P423 CarbonylContact O-C 3.6Å; N346-P423 WeakPolarHBondContact O-CA 3.39Å; N346-P423 WeakPolarHBondContact O-CB 3.46Å; N346-D424 PolarHBondContact N-O 2.9Å; N346-D424 PolarHBondContact O-N 3.4Å
347A98.8Very high97.7Very high0 Ų024.8 Ų24.80%014%0.136CC..EExtended strand (participates in β ladder)trans-131.1116.2163.700000107.9F98 T331 A332 R399 P423F98-A347 HydrophobicContact CD1-CB 4.07Å; F98-A347 HydrophobicContact CE1-CB 3.93Å; T331-A347 CarbonylContact C-O 3.55Å; T331-A347 VanDerWaalsContact CA-O 3.3Å; T331-A347 WeakPolarHBondContact CA-O 3.47Å; T331-A347 WeakPolarHBondContact CB-O 3.23Å; A332-A347 PolarHBondContact N-O 3.23Å; A332-A347 PolarHBondContact O-N 3.34Å; A347-R399 CarbonylContact C-O 3.6Å; A347-R399 HydrophobicContact CB-CB 4.09Å; A347-P423 HydrophobicContact CB-CB 4.42Å
348G98.3Very high97.5Very high0 Ų025.7 Ų25.70%015%0.145CC..SBendtrans106.3-160.3-17400000113.2N346 H367 R399N346-G348 PolarHBondContact ND2-O 3Å; G348-H367 PolarHBondContact N-ND1 3.18Å; G348-H367 PolarHBondContact O-N 2.87Å; G348-H367 PolarHBondContact O-ND1 3.3Å; G348-R399 WeakPolarHBondContact CA-O 3.14Å; G348-R399 PolarHBondContact N-O 3.28Å; G348-R399 VanDerWaalsContact N-O 3.11Å
349D97.6Very high97.6Very high3 Ų329.7 Ų29.72%0.01616%0.164CC..SBendtrans-113.52.7-16941.62.5000114.8T331 D366 K368T331-D349 WeakPolarHBondContact CG2-OD1 3.42Å; D349-D366 HydrophobicContact CB-CB 3.98Å; D349-K368 HydrophobicContact CB-CD 4.27Å; D349-K368 WeakPolarHBondContact OD2-CE 3.24Å; D349-K368 IonicContact OD2-NZ 3.9Å; D349-K368 PolarHBondContact OD2-NZ 2.85Å
350S98.4Very high97.9Very high0 Ų028.6 Ų28.60%015%0.15CC..  trans-54.5143.5151.9-79.30000111T331 V333 N346T331-S350 PolarHBondContact OG1-OG 3.37Å; V333-S350 VanDerWaalsContact CG1-CB 3.49Å; N346-S350 PolarHBondContact ND2-O 2.83Å; N346-S350 PolarHBondContact OD1-O 2.58Å
351R98.7Very high98.1Very high38 Ų3825.3 Ų25.314%0.14314%0.138CC..EExtended strand (participates in β ladder)trans-126.9144.4-176.9-152.5-173.4-61.5143.58.9113.7V353 S364 D366 A440 W445 S450R351-V353 HydrophobicContact CG-CG2 4.28Å; R351-S364 WeakPolarHBondContact CA-OG 3.01Å; R351-S364 WeakPolarHBondContact CG-OG 3.44Å; R351-D366 WeakPolarHBondContact CG-OD1 3.45Å; R351-D366 IonicContact CZ-OD1 2.74Å; R351-D366 IonicContact CZ-OD2 2.75Å; R351-D366 IonicContact NE-OD1 2.75Å; R351-D366 PolarHBondContact NE-OD1 3.32Å; R351-D366 IonicContact NE-OD2 3.36Å; R351-D366 PolarHBondContact NE-OD2 3.36Å; R351-D366 IonicContact NH2-OD1 3.23Å; R351-D366 IonicContact NH2-OD2 2.67Å; R351-D366 PolarHBondContact NH2-OD2 2.68Å; R351-A440 PolarHBondContact N-O 2.83Å; R351-A440 PolarHBondContact O-N 2.81Å; R351-A440 VanDerWaalsContact O-N 3.11Å; R351-W445 HydrophobicContact CB-CD2 4.01Å; R351-W445 HydrophobicContact CB-CG 3.94Å; R351-W445 HydrophobicContact CB-CZ2 4.31Å; R351-W445 PolarHBondContact O-NE1 2.86Å; R351-S450 PolarHBondContact NH1-OG 3.27Å; R351-S450 VanDerWaalsContact NH1-OG 3.1Å
352C98.8Very high98.2Very high0 Ų023.4 Ų23.40%013%0.131CC..EExtended strand (participates in β ladder)trans-112.2132.8166.2-179.60000110.3V333 V344 M363 S364 V438 I439V333-C352 HydrophobicContact CG2-CB 3.75Å; V344-C352 HydrophobicContact CG1-CB 3.92Å; V344-C352 HydrophobicContact CG2-CB 4.45Å; C352-M363 HydrophobicContact CB-CB 4.26Å; C352-M363 WeakPolarHBondContact O-CA 3.37Å; C352-M363 PolarHBondContact O-N 2.99Å; C352-S364 PolarHBondContact N-OG 3.48Å; C352-S364 PolarHBondContact O-N 2.83Å; C352-V438 CarbonylContact C-O 3.16Å; C352-V438 VanDerWaalsContact CA-O 3.29Å; C352-V438 WeakPolarHBondContact CA-O 3.35Å; C352-V438 PolarHBondContact SG-O 2.92Å; C352-I439 HydrophobicContact CB-CG1 4.33Å
353V98.9Very high98.2Very high0 Ų023.6 Ų23.60%013%0.132CC..EExtended strand (participates in β ladder)trans-132.1140.7-178.6-177.80000109.5R351 A360 M437 V438 W445 V454R351-V353 HydrophobicContact CG-CG2 4.28Å; V353-A360 HydrophobicContact CG1-CB 3.78Å; V353-M437 CarbonylContact O-C 3.48Å; V353-M437 VanDerWaalsContact O-CA 3.25Å; V353-M437 WeakPolarHBondContact O-CA 3.3Å; V353-V438 PolarHBondContact N-O 3.01Å; V353-V438 PolarHBondContact O-N 3.16Å; V353-W445 HydrophobicContact CB-CH2 4.09Å; V353-W445 HydrophobicContact CG2-CH2 3.55Å; V353-W445 HydrophobicContact CG2-CZ2 4.08Å; V353-W445 HydrophobicContact CG2-CZ3 3.9Å; V353-V454 HydrophobicContact CG1-CG2 3.95Å
354V98.8Very high98.1Very high0 Ų023.8 Ų23.80%013%0.133CC..EExtended strand (participates in β ladder)trans-111.6140.3176173.10000110.4L342 L361 M363 L428 M437 F506L342-V354 HydrophobicContact CD2-CG2 3.77Å; V354-L361 HydrophobicContact CB-CB 4.35Å; V354-L361 PolarHBondContact N-O 2.82Å; V354-L361 PolarHBondContact O-N 3.1Å; V354-M363 HydrophobicContact CB-CG 4.24Å; V354-M363 HydrophobicContact CG2-CB 4.44Å; V354-M363 HydrophobicContact CG2-CG 3.43Å; V354-M363 VanDerWaalsContact CG2-CG 3.43Å; V354-L428 HydrophobicContact CB-CD2 4.46Å; V354-L428 HydrophobicContact CG1-CD2 4.19Å; V354-L428 HydrophobicContact CG2-CD2 4.14Å; V354-M437 HydrophobicContact CG2-CB 3.83Å; V354-F506 HydrophobicContact CG1-CE2 4Å; V354-F506 HydrophobicContact CG2-CZ 4.47Å
355S98.5Very high98Very high0 Ų030.3 Ų30.30%016%0.159CC..EExtended strand (participates in β ladder)trans-85.7111.1165.1-172.70000110.1G358 K359 H434 E435 F436S355-G358 WeakPolarHBondContact OG-CA 3.29Å; S355-G358 PolarHBondContact OG-N 3.11Å; S355-K359 WeakPolarHBondContact CA-O 3.38Å; S355-H434 WeakPolarHBondContact O-CA 3.35Å; S355-E435 PolarHBondContact O-N 2.98Å; S355-E435 PolarHBondContact OG-OE2 2.8Å; S355-F436 PolarHBondContact N-O 2.84Å
356E97.7Very high97.9Very high82 Ų8231.9 Ų31.938%0.38317%0.167SC..EExtended strand (participates in β ladder)trans-103.4105.9166.1-172.1-177.3-128.700108.5G358 K359 D433 H434E356-G358 VanDerWaalsContact C-N 3.3Å; E356-G358 PolarHBondContact O-N 3.19Å; E356-K359 PolarHBondContact N-O 3.12Å; E356-K359 WeakPolarHBondContact O-CB 3.3Å; E356-K359 PolarHBondContact O-N 2.85Å; E356-D433 HydrophobicContact CG-CB 4.31Å; E356-H434 IonicContact OE1-CE1 2.75Å; E356-H434 PolarHBondContact OE1-CE1 3.24Å; E356-H434 IonicContact OE1-NE2 2.68Å
357A95Very high97.9Very high71 Ų7132 Ų3259%0.58717%0.168SC*.THydrogen-bonded Turntrans47.645.8-177.700000114.5D433A357-D433 PolarHBondContact N-O 2.87Å
358G94.1Very high97.8Very high19 Ų1934.5 Ų34.520%0.19618%0.179CC..THydrogen-bonded Turntrans76.811.9-177.200000115.7S355 E356 E435 Q451S355-G358 WeakPolarHBondContact OG-CA 3.29Å; S355-G358 PolarHBondContact OG-N 3.11Å; E356-G358 VanDerWaalsContact C-N 3.3Å; E356-G358 PolarHBondContact O-N 3.19Å; G358-E435 PolarHBondContact N-OE2 3.29Å; G358-Q451 PolarHBondContact O-NE2 3.02Å
359K98.4Very high97.7Very high143 Ų14334.5 Ų34.562%0.62218%0.179SC*.EExtended strand (participates in β ladder)trans-111.4142.7172.7-64.7-175.3178.2-176.80111.7S355 E356 L361S355-K359 WeakPolarHBondContact CA-O 3.38Å; E356-K359 PolarHBondContact N-O 3.12Å; E356-K359 WeakPolarHBondContact O-CB 3.3Å; E356-K359 PolarHBondContact O-N 2.85Å; K359-L361 PolarHBondContact O-N 3.22Å
360A98.6Very high97.7Very high27 Ų2739.2 Ų39.222%0.22320%0.2CC..EExtended strand (participates in β ladder)trans-67.1127.5168.600000111.6V353 Q451 V454V353-A360 HydrophobicContact CG1-CB 3.78Å; A360-Q451 HydrophobicContact CB-CB 4.25Å; A360-V454 HydrophobicContact CB-CG2 4.08Å
361L98.6Very high97.6Very high51 Ų5142.7 Ų42.727%0.26722%0.219SC..EExtended strand (participates in β ladder)trans-119.5100.2166.3173.662.5000107.1V354 K359 M363 L428V354-L361 HydrophobicContact CB-CB 4.35Å; V354-L361 PolarHBondContact N-O 2.82Å; V354-L361 PolarHBondContact O-N 3.1Å; K359-L361 PolarHBondContact O-N 3.22Å; L361-M363 PolarHBondContact O-N 2.83Å; L361-L428 HydrophobicContact CD2-CD1 4.04Å; L361-L428 HydrophobicContact CD2-CD2 3.93Å
362D98.4Very high97.5Very high54 Ų5449.4 Ų49.429%0.28925%0.252SS..EExtended strand (participates in β ladder)trans-61.7125.7178.2-53.5-74.3000110K426 S450D362-K426 WeakPolarHBondContact O-CE 3.18Å; D362-K426 PolarHBondContact O-NZ 3.22Å; D362-S450 WeakPolarHBondContact OD1-CB 3.39Å; D362-S450 PolarHBondContact OD1-OG 3.25Å
363M98.6Very high97.4Very high3 Ų354.5 Ų54.52%0.01528%0.283CS..SBendtrans-102.9-5.7-179.4-81.8-60-61.200113.5L342 V344 C352 V354 L361 K426 L428L342-M363 HydrophobicContact CD2-CE 4.19Å; L342-M363 HydrophobicContact CD2-CG 4.32Å; L342-M363 HydrophobicContact CG-CE 4.28Å; V344-M363 HydrophobicContact CB-CB 4.33Å; V344-M363 HydrophobicContact CB-CE 4.26Å; V344-M363 HydrophobicContact CG2-CB 3.94Å; V344-M363 HydrophobicContact CG2-CE 3.95Å; C352-M363 HydrophobicContact CB-CB 4.26Å; C352-M363 WeakPolarHBondContact O-CA 3.37Å; C352-M363 PolarHBondContact O-N 2.99Å; V354-M363 HydrophobicContact CB-CG 4.24Å; V354-M363 HydrophobicContact CG2-CB 4.44Å; V354-M363 HydrophobicContact CG2-CG 3.43Å; V354-M363 VanDerWaalsContact CG2-CG 3.43Å; L361-M363 PolarHBondContact O-N 2.83Å; M363-K426 HydrophobicContact CE-CB 4.05Å; M363-K426 HydrophobicContact CE-CG 3.93Å; M363-K426 VanDerWaalsContact O-CB 3.29Å; M363-K426 WeakPolarHBondContact O-CB 3.42Å; M363-K426 HydrophobicContact SD-CD 4.31Å; M363-K426 HydrophobicContact SD-CG 4.15Å; M363-L428 HydrophobicContact CE-CB 3.73Å; M363-L428 HydrophobicContact SD-CB 3.82Å; M363-L428 HydrophobicContact SD-CD2 3.87Å; M363-L428 HydrophobicContact SD-CG 4.41Å
364S98.2Very high97.4Very high7 Ų754.8 Ų54.85%0.04928%0.284CS..SBendtrans-131.1171.3163.759.20000110.1N346 R351 C352N346-S364 VanDerWaalsContact CB-CB 3.48Å; R351-S364 WeakPolarHBondContact CA-OG 3.01Å; R351-S364 WeakPolarHBondContact CG-OG 3.44Å; C352-S364 PolarHBondContact N-OG 3.48Å; C352-S364 PolarHBondContact O-N 2.83Å
365Y95.4Very high97.4Very high137 Ų13756.8 Ų56.854%0.53730%0.295SS..  trans-117.7145161.6-58.9-76.1000107.4N346 H367 K426N346-Y365 PolarHBondContact ND2-O 3.04Å; Y365-H367 PolarHBondContact O-CE1 3Å; Y365-H367 VanDerWaalsContact O-CE1 3.29Å; Y365-H367 PolarHBondContact O-ND1 3.27Å; Y365-K426 HydrophobicContact CE2-CD 4.38Å; Y365-K426 PolarHBondContact OH-NZ 2.74Å
366D97.5Very high97.3Very high33 Ų3358.9 Ų58.918%0.17631%0.312CS..  trans-74146175.6-54.713000108.3D349 R351D349-D366 HydrophobicContact CB-CB 3.98Å; R351-D366 WeakPolarHBondContact CG-OD1 3.45Å; R351-D366 IonicContact CZ-OD1 2.74Å; R351-D366 IonicContact CZ-OD2 2.75Å; R351-D366 IonicContact NE-OD1 2.75Å; R351-D366 PolarHBondContact NE-OD1 3.32Å; R351-D366 IonicContact NE-OD2 3.36Å; R351-D366 PolarHBondContact NE-OD2 3.36Å; R351-D366 IonicContact NH2-OD1 3.23Å; R351-D366 IonicContact NH2-OD2 2.67Å; R351-D366 PolarHBondContact NH2-OD2 2.68Å
367H98.1Very high97.4Very high5 Ų556.3 Ų56.32%0.02330%0.299CS..  trans-108.989-177.7-60.288000110.3N346 G348 Y365 S398 R399 D424N346-H367 PolarHBondContact O-CE1 2.86Å; G348-H367 PolarHBondContact N-ND1 3.18Å; G348-H367 PolarHBondContact O-N 2.87Å; G348-H367 PolarHBondContact O-ND1 3.3Å; Y365-H367 PolarHBondContact O-CE1 3Å; Y365-H367 VanDerWaalsContact O-CE1 3.29Å; Y365-H367 PolarHBondContact O-ND1 3.27Å; H367-S398 WeakPolarHBondContact CB-OG 3.49Å; H367-S398 PolarHBondContact O-N 3.16Å; H367-S398 PolarHBondContact O-OG 3.2Å; H367-R399 HydrophobicContact CB-CB 3.96Å; H367-R399 HydrophobicContact CB-CG 3.93Å; H367-R399 VanDerWaalsContact CD2-CD 3.48Å; H367-R399 WeakPolarHBondContact CD2-CD 3.12Å; H367-R399 PolarHBondContact CD2-NE 3.26Å; H367-R399 VanDerWaalsContact NE2-CZ 3.32Å; H367-D424 IonicContact NE2-OD1 3.65Å
368K96.7Very high97.5Very high52 Ų5253 Ų5323%0.22627%0.271CS..  trans-94.9152.2178-58-64.2-174.8174.40110.2D349 E370 D371 E374 S398D349-K368 HydrophobicContact CB-CD 4.27Å; D349-K368 WeakPolarHBondContact OD2-CE 3.24Å; D349-K368 IonicContact OD2-NZ 3.9Å; D349-K368 PolarHBondContact OD2-NZ 2.85Å; K368-E370 PolarHBondContact O-N 2.88Å; K368-D371 PolarHBondContact N-OD2 3.33Å; K368-D371 PolarHBondContact O-N 3.18Å; K368-E374 WeakPolarHBondContact O-CB 3.19Å; K368-S398 PolarHBondContact O-OG 2.69Å
369P97.8Very high97.7Very high0 Ų057.7 Ų57.70%029%0.286CS..THydrogen-bonded Turntrans-65-20.1-179-31.143.1000115.9L375 I378 V385 G389 V391 N396P369-L375 WeakPolarHBondContact O-CA 3.45Å; P369-L375 WeakPolarHBondContact O-CB 3.36Å; P369-L375 PolarHBondContact O-N 2.84Å; P369-I378 HydrophobicContact CB-CD1 3.91Å; P369-V385 HydrophobicContact CB-CB 4.42Å; P369-V385 HydrophobicContact CB-CG1 3.68Å; P369-V385 HydrophobicContact CB-CG2 3.79Å; P369-G389 WeakPolarHBondContact CB-O 3.5Å; P369-G389 WeakPolarHBondContact CD-O 3.1Å; P369-G389 WeakPolarHBondContact CG-O 3.37Å; P369-V391 HydrophobicContact CB-CG2 3.87Å; P369-V391 HydrophobicContact CG-CG2 3.64Å; P369-N396 WeakPolarHBondContact CD-O 3.13Å
370E96.4Very high97.7Very high101 Ų10157.3 Ų57.347%0.47229%0.291SS..THydrogen-bonded Turntrans-83.7-19-178.3-52.196.1125.400113.8K368 E372 V385 G389K368-E370 PolarHBondContact O-N 2.88Å; E370-E372 PolarHBondContact O-N 3.4Å; E370-V385 HydrophobicContact CG-CG1 4.41Å; E370-G389 VanDerWaalsContact CD-CA 3.46Å; E370-G389 WeakPolarHBondContact OE1-CA 3.44Å
371D96.6Very high97.6Very high73 Ų7356.2 Ų56.239%0.3928%0.282SS..SBendtrans-58.1133.9-179.9-72-52.2000111.2K368 V373 E374 L375K368-D371 PolarHBondContact N-OD2 3.33Å; K368-D371 PolarHBondContact O-N 3.18Å; D371-V373 PolarHBondContact O-N 2.98Å; D371-E374 HydrophobicContact CB-CB 4.2Å; D371-E374 HydrophobicContact CB-CG 3.95Å; D371-E374 PolarHBondContact O-N 3.33Å; D371-L375 VanDerWaalsContact O-CB 3.23Å; D371-L375 WeakPolarHBondContact O-CB 3.42Å; D371-L375 PolarHBondContact O-N 3.37Å
372E97.1Very high97.5Very high180 Ų18057 Ų5784%0.84130%0.302SS*.Hα-helixtrans-52.4-37-167.3-64.8-169.8156.300114.3E370 A376E370-E372 PolarHBondContact O-N 3.4Å; E372-A376 VanDerWaalsContact O-CB 3.25Å; E372-A376 WeakPolarHBondContact O-CB 3.46Å; E372-A376 PolarHBondContact O-N 3.15Å
373V96.7Very high97.4Very high107 Ų10754.8 Ų54.865%0.64829%0.292SS*.Hα-helixtrans-75.1-43.5179.3179.30000111.7D371 A376 R377D371-V373 PolarHBondContact O-N 2.98Å; V373-A376 PolarHBondContact O-N 3.45Å; V373-R377 PolarHBondContact O-N 3.46Å
374E98.3Very high97.3Very high6 Ų662.2 Ų62.23%0.02832%0.324CS..Hα-helixtrans-71.5-46.4-177.7-55.1-58.9113.600110.3K368 D371 A376 R377 I378 S398 R399K368-E374 WeakPolarHBondContact O-CB 3.19Å; D371-E374 HydrophobicContact CB-CB 4.2Å; D371-E374 HydrophobicContact CB-CG 3.95Å; D371-E374 PolarHBondContact O-N 3.33Å; E374-A376 VanDerWaalsContact C-N 3.25Å; E374-A376 PolarHBondContact O-N 2.94Å; E374-R377 PolarHBondContact O-N 3.11Å; E374-R377 VanDerWaalsContact O-N 3.1Å; E374-R377 IonicContact OE1-NH1 3.75Å; E374-R377 PolarHBondContact OE1-NH1 3.27Å; E374-R377 IonicContact OE2-CZ 2.93Å; E374-R377 IonicContact OE2-NH1 3.98Å; E374-R377 PolarHBondContact OE2-NH1 3.46Å; E374-R377 IonicContact OE2-NH2 3.45Å; E374-R377 PolarHBondContact OE2-NH2 3.09Å; E374-I378 WeakPolarHBondContact O-CD1 3.25Å; E374-I378 VanDerWaalsContact O-CG1 3.3Å; E374-I378 WeakPolarHBondContact O-CG1 3.39Å; E374-I378 PolarHBondContact O-N 3.4Å; E374-S398 WeakPolarHBondContact CB-OG 3.3Å; E374-S398 WeakPolarHBondContact CG-OG 3.15Å; E374-S398 PolarHBondContact OE2-OG 2.84Å; E374-R399 IonicContact OE1-CZ 2.79Å; E374-R399 IonicContact OE1-NE 3.26Å; E374-R399 PolarHBondContact OE1-NE 2.76Å; E374-R399 VanDerWaalsContact OE1-NE 3.16Å; E374-R399 IonicContact OE1-NH2 3.7Å; E374-R399 PolarHBondContact OE1-NH2 3.27Å; E374-R399 VanDerWaalsContact OE2-CG 3.22Å; E374-R399 WeakPolarHBondContact OE2-CG 3.46Å; E374-R399 IonicContact OE2-CZ 3.3Å; E374-R399 IonicContact OE2-NE 2.71Å; E374-R399 PolarHBondContact OE2-NE 3.14Å; E374-R399 IonicContact OE2-NH2 3.22Å
375L98Very high97.3Very high41 Ų4163.4 Ų63.422%0.21533%0.331CS..Hα-helixtrans-56.7-37.7173.3-174.860.5000112.1P369 D371 K379 V385P369-L375 WeakPolarHBondContact O-CA 3.45Å; P369-L375 WeakPolarHBondContact O-CB 3.36Å; P369-L375 PolarHBondContact O-N 2.84Å; D371-L375 VanDerWaalsContact O-CB 3.23Å; D371-L375 WeakPolarHBondContact O-CB 3.42Å; D371-L375 PolarHBondContact O-N 3.37Å; L375-K379 HydrophobicContact CD1-CD 4.28Å; L375-K379 VanDerWaalsContact CD1-CE 3.48Å; L375-K379 HydrophobicContact CG-CD 4.24Å; L375-K379 WeakPolarHBondContact O-CB 3.49Å; L375-K379 WeakPolarHBondContact O-CD 3.39Å; L375-K379 VanDerWaalsContact O-CG 3.26Å; L375-K379 WeakPolarHBondContact O-CG 3.23Å; L375-K379 PolarHBondContact O-N 2.96Å; L375-K379 VanDerWaalsContact O-N 3.15Å; L375-V385 HydrophobicContact CD1-CB 3.73Å; L375-V385 HydrophobicContact CD1-CG1 4.45Å; L375-V385 HydrophobicContact CD1-CG2 3.53Å
376A98.1Very high97.3Very high44 Ų4458.7 Ų58.736%0.36432%0.317SS..Hα-helixtrans-68.3-45174.200000111.9E372 V373 E374 K379 N380E372-A376 VanDerWaalsContact O-CB 3.25Å; E372-A376 WeakPolarHBondContact O-CB 3.46Å; E372-A376 PolarHBondContact O-N 3.15Å; V373-A376 PolarHBondContact O-N 3.45Å; E374-A376 VanDerWaalsContact C-N 3.25Å; E374-A376 PolarHBondContact O-N 2.94Å; A376-K379 PolarHBondContact O-N 3.1Å; A376-N380 WeakPolarHBondContact O-CB 3.3Å; A376-N380 PolarHBondContact O-N 3.49Å; A376-N380 PolarHBondContact O-ND2 3.37Å
377R98.4Very high97Very high29 Ų2966.8 Ų66.811%0.10936%0.356CS..Hα-helixtrans-60.2-49.7174.7-174.1-172.362.9-107.2-7.6111.3V373 E374 K379 N380 A381 S398 E415 Q417 M418V373-R377 PolarHBondContact O-N 3.46Å; E374-R377 PolarHBondContact O-N 3.11Å; E374-R377 VanDerWaalsContact O-N 3.1Å; E374-R377 IonicContact OE1-NH1 3.75Å; E374-R377 PolarHBondContact OE1-NH1 3.27Å; E374-R377 IonicContact OE2-CZ 2.93Å; E374-R377 IonicContact OE2-NH1 3.98Å; E374-R377 PolarHBondContact OE2-NH1 3.46Å; E374-R377 IonicContact OE2-NH2 3.45Å; E374-R377 PolarHBondContact OE2-NH2 3.09Å; R377-K379 VanDerWaalsContact C-N 3.32Å; R377-K379 PolarHBondContact O-N 3.25Å; R377-N380 PolarHBondContact O-N 3.1Å; R377-N380 VanDerWaalsContact O-N 3.16Å; R377-A381 WeakPolarHBondContact O-CB 3.28Å; R377-A381 PolarHBondContact O-N 3.1Å; R377-S398 PolarHBondContact NH2-O 2.82Å; R377-E415 VanDerWaalsContact CD-O 3.27Å; R377-E415 WeakPolarHBondContact CD-O 3.47Å; R377-Q417 WeakPolarHBondContact CD-O 3.3Å; R377-Q417 WeakPolarHBondContact CG-O 3.3Å; R377-Q417 PolarHBondContact NE-O 3.01Å; R377-M418 PolarHBondContact NE-O 3.38Å; R377-M418 PolarHBondContact NH2-O 3.16Å
378I98.4Very high96.6Very high0 Ų071.3 Ų71.30%038%0.38CS..Hα-helixtrans-56.1-46.4-179.5-68.1157.1000110.8P369 E374 A381 G382 G383 V385 V391 M418P369-I378 HydrophobicContact CB-CD1 3.91Å; E374-I378 WeakPolarHBondContact O-CD1 3.25Å; E374-I378 VanDerWaalsContact O-CG1 3.3Å; E374-I378 WeakPolarHBondContact O-CG1 3.39Å; E374-I378 PolarHBondContact O-N 3.4Å; I378-A381 PolarHBondContact O-N 2.99Å; I378-G382 PolarHBondContact O-N 3.24Å; I378-G383 WeakPolarHBondContact O-CA 3.39Å; I378-G383 PolarHBondContact O-N 2.96Å; I378-V385 HydrophobicContact CB-CG2 4.37Å; I378-V385 HydrophobicContact CD1-CG2 3.86Å; I378-V385 HydrophobicContact CG2-CG2 3.87Å; I378-V391 HydrophobicContact CD1-CG2 3.82Å; I378-V391 HydrophobicContact CG1-CG2 4.41Å; I378-V391 HydrophobicContact CG2-CG1 4.13Å; I378-M418 WeakPolarHBondContact CG1-O 3.49Å
379K97.7Very high96.5Very high118 Ų11868.9 Ų68.951%0.51337%0.37SS..Hα-helixtrans-65.8-42.9177.2-73.5168.5-178.9166.60112.6L375 A376 R377 A381 G382L375-K379 HydrophobicContact CD1-CD 4.28Å; L375-K379 VanDerWaalsContact CD1-CE 3.48Å; L375-K379 HydrophobicContact CG-CD 4.24Å; L375-K379 WeakPolarHBondContact O-CB 3.49Å; L375-K379 WeakPolarHBondContact O-CD 3.39Å; L375-K379 VanDerWaalsContact O-CG 3.26Å; L375-K379 WeakPolarHBondContact O-CG 3.23Å; L375-K379 PolarHBondContact O-N 2.96Å; L375-K379 VanDerWaalsContact O-N 3.15Å; A376-K379 PolarHBondContact O-N 3.1Å; R377-K379 VanDerWaalsContact C-N 3.32Å; R377-K379 PolarHBondContact O-N 3.25Å; K379-A381 VanDerWaalsContact C-N 3.27Å; K379-A381 PolarHBondContact O-N 3.43Å; K379-G382 PolarHBondContact O-N 3.32Å; K379-G382 VanDerWaalsContact O-N 3.1Å
380N97.6Very high96.4Very high135 Ų13572.1 Ų72.172%0.72238%0.383SS*.Hα-helixtrans-64.3-32.9176.2-70.3-18.4000112.3A376 R377 G382A376-N380 WeakPolarHBondContact O-CB 3.3Å; A376-N380 PolarHBondContact O-N 3.49Å; A376-N380 PolarHBondContact O-ND2 3.37Å; R377-N380 PolarHBondContact O-N 3.1Å; R377-N380 VanDerWaalsContact O-N 3.16Å; N380-G382 PolarHBondContact O-N 3.05Å
381A97.6Very high96.4Very high5 Ų567.3 Ų67.34%0.04136%0.36CS..THydrogen-bonded Turntrans-73.6-7.417500000114.3R377 I378 K379 N409 L412 M418R377-A381 WeakPolarHBondContact O-CB 3.28Å; R377-A381 PolarHBondContact O-N 3.1Å; I378-A381 PolarHBondContact O-N 2.99Å; K379-A381 VanDerWaalsContact C-N 3.27Å; K379-A381 PolarHBondContact O-N 3.43Å; A381-N409 PolarHBondContact O-ND2 2.93Å; A381-L412 HydrophobicContact CB-CD1 3.94Å; A381-M418 HydrophobicContact CB-CB 4.36Å; A381-M418 HydrophobicContact CB-CG 3.52Å
382G96.5Very high96.3Very high67 Ų6766.6 Ų66.669%0.69136%0.356SS*.THydrogen-bonded Turntrans95.43-179.700000114.7I378 K379 N380I378-G382 PolarHBondContact O-N 3.24Å; K379-G382 PolarHBondContact O-N 3.32Å; K379-G382 VanDerWaalsContact O-N 3.1Å; N380-G382 PolarHBondContact O-N 3.05Å
383G96.1Very high96.1Very high7 Ų759.5 Ų59.57%0.07233%0.332CS..  trans-84.3175.7176.900000113.9I378 N392 M418I378-G383 WeakPolarHBondContact O-CA 3.39Å; I378-G383 PolarHBondContact O-N 2.96Å; G383-N392 WeakPolarHBondContact CA-OD1 3.31Å; G383-M418 WeakPolarHBondContact CA-SD 3.4Å
384K96.3Very high95.8Very high159 Ų15955.7 Ų55.769%0.69131%0.314SS*.  trans-127.9162.3172.8-61.5176.9-175.3173.20109.6V391 N392K384-V391 WeakPolarHBondContact O-CA 3.42Å; K384-N392 PolarHBondContact N-OD1 3.18Å; K384-N392 PolarHBondContact O-N 3.13Å
385V97.3Very high95.6Very high32 Ų3256.5 Ų56.519%0.19432%0.319CS..BIsolated β-bridgetrans-121.2132.3167.4-178.50000107.4P369 E370 L375 I378 R390P369-V385 HydrophobicContact CB-CB 4.42Å; P369-V385 HydrophobicContact CB-CG1 3.68Å; P369-V385 HydrophobicContact CB-CG2 3.79Å; E370-V385 HydrophobicContact CG-CG1 4.41Å; L375-V385 HydrophobicContact CD1-CB 3.73Å; L375-V385 HydrophobicContact CD1-CG1 4.45Å; L375-V385 HydrophobicContact CD1-CG2 3.53Å; I378-V385 HydrophobicContact CB-CG2 4.37Å; I378-V385 HydrophobicContact CD1-CG2 3.86Å; I378-V385 HydrophobicContact CG2-CG2 3.87Å; V385-R390 WeakPolarHBondContact CA-O 3.27Å
386T95.3Very high95.4Very high38 Ų3857.6 Ų57.623%0.23333%0.325CS..  trans-78.4173.1177.654.10000111.7D388 G389 R390T386-D388 WeakPolarHBondContact CB-OD1 3.39Å; T386-D388 PolarHBondContact O-N 2.79Å; T386-D388 PolarHBondContact OG1-OD1 3.21Å; T386-G389 PolarHBondContact O-N 3.24Å; T386-R390 PolarHBondContact N-O 2.66Å; T386-R390 WeakPolarHBondContact OG1-CA 3.39Å; T386-R390 WeakPolarHBondContact OG1-CB 3.45Å; T386-R390 PolarHBondContact OG1-N 2.76Å; T386-R390 PolarHBondContact OG1-O 3Å
387M91.3Very high95.3Very high204 Ų20456 Ų56100%1.00531%0.31SS*.THydrogen-bonded Turntrans-71.3-18.7178.9-62.2-61.8179.600113.4
388D91Very high95.3Very high99 Ų9954.7 Ų54.753%0.52931%0.305SS..THydrogen-bonded Turntrans-94.416171.675.3-49.8000113.2T386 R390T386-D388 WeakPolarHBondContact CB-OD1 3.39Å; T386-D388 PolarHBondContact O-N 2.79Å; T386-D388 PolarHBondContact OG1-OD1 3.21Å; D388-R390 WeakPolarHBondContact OD2-CD 3.48Å; D388-R390 WeakPolarHBondContact OD2-CG 3.08Å; D388-R390 IonicContact OD2-CZ 2.8Å; D388-R390 IonicContact OD2-NE 2.76Å; D388-R390 PolarHBondContact OD2-NE 3.35Å
389G93.5Very high95.3Very high2 Ų255.4 Ų55.42%0.02131%0.308CS..SBendtrans81.521.2170.600000115.8P369 E370 T386P369-G389 WeakPolarHBondContact CB-O 3.5Å; P369-G389 WeakPolarHBondContact CD-O 3.1Å; P369-G389 WeakPolarHBondContact CG-O 3.37Å; E370-G389 VanDerWaalsContact CD-CA 3.46Å; E370-G389 WeakPolarHBondContact OE1-CA 3.44Å; T386-G389 PolarHBondContact O-N 3.24Å
390R96.1Very high95.3Very high68 Ų6849.8 Ų49.826%0.25728%0.283SS..  trans-102.2132.5-176.6-59.9-179.1-178.3-71.9-20.4114.6V385 T386 D388 N392 G393 G394 L395 N396V385-R390 WeakPolarHBondContact CA-O 3.27Å; T386-R390 PolarHBondContact N-O 2.66Å; T386-R390 WeakPolarHBondContact OG1-CA 3.39Å; T386-R390 WeakPolarHBondContact OG1-CB 3.45Å; T386-R390 PolarHBondContact OG1-N 2.76Å; T386-R390 PolarHBondContact OG1-O 3Å; D388-R390 WeakPolarHBondContact OD2-CD 3.48Å; D388-R390 WeakPolarHBondContact OD2-CG 3.08Å; D388-R390 IonicContact OD2-CZ 2.8Å; D388-R390 IonicContact OD2-NE 2.76Å; D388-R390 PolarHBondContact OD2-NE 3.35Å; R390-N392 PolarHBondContact O-N 3.39Å; R390-N392 VanDerWaalsContact O-N 3.17Å; R390-G393 VanDerWaalsContact CD-O 3.28Å; R390-G393 WeakPolarHBondContact CD-O 3.22Å; R390-G393 PolarHBondContact O-N 3.08Å; R390-G394 WeakPolarHBondContact CD-O 3.41Å; R390-G394 PolarHBondContact NH1-O 2.96Å; R390-L395 CarbonylContact C-O 3.52Å; R390-L395 VanDerWaalsContact CA-O 3.27Å; R390-L395 WeakPolarHBondContact CA-O 3.2Å; R390-N396 HydrophobicContact CG-CB 4.3Å; R390-N396 PolarHBondContact NH1-OD1 2.93Å
391V96.3Very high95.4Very high0 Ų043.4 Ų43.40%025%0.249CC..BIsolated β-bridgetrans-64.9112.2169.7-173.50000109.2P369 I378 K384 G393 G394 L395 Y406 M418 I419P369-V391 HydrophobicContact CB-CG2 3.87Å; P369-V391 HydrophobicContact CG-CG2 3.64Å; I378-V391 HydrophobicContact CD1-CG2 3.82Å; I378-V391 HydrophobicContact CG1-CG2 4.41Å; I378-V391 HydrophobicContact CG2-CG1 4.13Å; K384-V391 WeakPolarHBondContact O-CA 3.42Å; V391-G393 PolarHBondContact O-N 3.42Å; V391-G393 VanDerWaalsContact O-N 3.08Å; V391-G394 PolarHBondContact O-N 3.17Å; V391-L395 PolarHBondContact N-O 2.82Å; V391-Y406 HydrophobicContact CB-CE1 4.29Å; V391-Y406 HydrophobicContact CG1-CD1 3.83Å; V391-Y406 HydrophobicContact CG1-CE1 3.96Å; V391-M418 HydrophobicContact CG1-CB 4.22Å; V391-I419 HydrophobicContact CB-CD1 4.39Å; V391-I419 HydrophobicContact CG1-CD1 4.47Å; V391-I419 HydrophobicContact CG2-CD1 3.91Å
392N94.9Very high95.4Very high57 Ų5743.1 Ų43.131%0.30525%0.247SC..THydrogen-bonded Turntrans51.924.3-175.3-55.1-34.6000114.8G383 K384 R390 M418G383-N392 WeakPolarHBondContact CA-OD1 3.31Å; K384-N392 PolarHBondContact N-OD1 3.18Å; K384-N392 PolarHBondContact O-N 3.13Å; R390-N392 PolarHBondContact O-N 3.39Å; R390-N392 VanDerWaalsContact O-N 3.17Å; N392-M418 PolarHBondContact ND2-SD 2.85Å
393G92.4Very high95.5Very high32 Ų3240 Ų4033%0.3321%0.214SC..THydrogen-bonded Turntrans85.8-5.7-17600000115.6R390 V391R390-G393 VanDerWaalsContact CD-O 3.28Å; R390-G393 WeakPolarHBondContact CD-O 3.22Å; R390-G393 PolarHBondContact O-N 3.08Å; V391-G393 PolarHBondContact O-N 3.42Å; V391-G393 VanDerWaalsContact O-N 3.08Å
394G91.8Very high95.5Very high27 Ų2741 Ų4128%0.27822%0.217SC..THydrogen-bonded Turntrans-95.6-91.3179.300000113.8R390 V391R390-G394 WeakPolarHBondContact CD-O 3.41Å; R390-G394 PolarHBondContact NH1-O 2.96Å; V391-G394 PolarHBondContact O-N 3.17Å
395L93.3Very high95.5Very high23 Ų2335.4 Ų35.412%0.1219%0.193CC..BIsolated β-bridgetrans-73.5132-172.1-65.1170.9000112.7R390 V391 L397 D403 Y406 I419R390-L395 CarbonylContact C-O 3.52Å; R390-L395 VanDerWaalsContact CA-O 3.27Å; R390-L395 WeakPolarHBondContact CA-O 3.2Å; V391-L395 PolarHBondContact N-O 2.82Å; L395-L397 VanDerWaalsContact C-N 3.3Å; L395-L397 HydrophobicContact CB-CD1 4.5Å; L395-L397 HydrophobicContact CD1-CD1 4.47Å; L395-D403 HydrophobicContact CD1-CB 4.1Å; L395-D403 WeakPolarHBondContact CD1-OD1 3.39Å; L395-Y406 HydrophobicContact CD1-CD2 3.6Å; L395-Y406 HydrophobicContact CD1-CE1 4.45Å; L395-Y406 HydrophobicContact CD1-CE2 3.36Å; L395-Y406 HydrophobicContact CD1-CG 4.26Å; L395-Y406 HydrophobicContact CG-CD2 4.5Å; L395-Y406 HydrophobicContact CG-CE2 3.79Å; L395-I419 HydrophobicContact CB-CD1 4.45Å; L395-I419 HydrophobicContact CD1-CD1 3.9Å; L395-I419 HydrophobicContact CD1-CG1 3.75Å
396N94.1Very high95.5Very high64 Ų6435 Ų3534%0.34219%0.188SC..SBendtrans-9118.8174.255.6-89000113.9P369 R390P369-N396 WeakPolarHBondContact CD-O 3.13Å; R390-N396 HydrophobicContact CG-CB 4.3Å; R390-N396 PolarHBondContact NH1-OD1 2.93Å
397L95.8Very high95.6Very high11 Ų1134.4 Ų34.46%0.05818%0.182CC..  trans-130.9156.5175.256.175.8000109.1T331 L395 A400 I419T331-L397 HydrophobicContact CG2-CD2 3.95Å; L395-L397 VanDerWaalsContact C-N 3.3Å; L395-L397 HydrophobicContact CB-CD1 4.5Å; L395-L397 HydrophobicContact CD1-CD1 4.47Å; L397-A400 HydrophobicContact CD1-CB 3.83Å; L397-I419 HydrophobicContact CD1-CD1 4.33Å; L397-I419 WeakPolarHBondContact O-CD1 3.47Å
398S97.9Very high95.7Very high0 Ų031 Ų310%016%0.158CC..SBendtrans-111.3-12.5-177.3610000114.4H367 K368 E374 R377 I419 S420H367-S398 WeakPolarHBondContact CB-OG 3.49Å; H367-S398 PolarHBondContact O-N 3.16Å; H367-S398 PolarHBondContact O-OG 3.2Å; K368-S398 PolarHBondContact O-OG 2.69Å; E374-S398 WeakPolarHBondContact CB-OG 3.3Å; E374-S398 WeakPolarHBondContact CG-OG 3.15Å; E374-S398 PolarHBondContact OE2-OG 2.84Å; R377-S398 PolarHBondContact NH2-O 2.82Å; S398-I419 WeakPolarHBondContact O-CA 3.2Å; S398-S420 PolarHBondContact O-N 2.97Å
399R98.7Very high96Very high16 Ų1628.4 Ų28.46%0.0614%0.144CC..BIsolated β-bridgetrans-136.4135.3176-61.3-159.7-159.4167.619.5112.3A347 G348 H367 E374 S420 L422 D424A347-R399 CarbonylContact C-O 3.6Å; A347-R399 HydrophobicContact CB-CB 4.09Å; G348-R399 WeakPolarHBondContact CA-O 3.14Å; G348-R399 PolarHBondContact N-O 3.28Å; G348-R399 VanDerWaalsContact N-O 3.11Å; H367-R399 HydrophobicContact CB-CB 3.96Å; H367-R399 HydrophobicContact CB-CG 3.93Å; H367-R399 VanDerWaalsContact CD2-CD 3.48Å; H367-R399 WeakPolarHBondContact CD2-CD 3.12Å; H367-R399 PolarHBondContact CD2-NE 3.26Å; H367-R399 VanDerWaalsContact NE2-CZ 3.32Å; E374-R399 IonicContact OE1-CZ 2.79Å; E374-R399 IonicContact OE1-NE 3.26Å; E374-R399 PolarHBondContact OE1-NE 2.76Å; E374-R399 VanDerWaalsContact OE1-NE 3.16Å; E374-R399 IonicContact OE1-NH2 3.7Å; E374-R399 PolarHBondContact OE1-NH2 3.27Å; E374-R399 VanDerWaalsContact OE2-CG 3.22Å; E374-R399 WeakPolarHBondContact OE2-CG 3.46Å; E374-R399 IonicContact OE2-CZ 3.3Å; E374-R399 IonicContact OE2-NE 2.71Å; E374-R399 PolarHBondContact OE2-NE 3.14Å; E374-R399 IonicContact OE2-NH2 3.22Å; R399-S420 CarbonylContact C-O 3.54Å; R399-S420 WeakPolarHBondContact CA-O 3.41Å; R399-S420 WeakPolarHBondContact CB-O 3.42Å; R399-L422 WeakPolarHBondContact CD-O 3.49Å; R399-L422 PolarHBondContact NH1-O 2.95Å; R399-D424 IonicContact CZ-OD1 2.78Å; R399-D424 VanDerWaalsContact CZ-OD1 3.26Å; R399-D424 IonicContact NH1-OD1 2.75Å; R399-D424 PolarHBondContact NH1-OD1 2.76Å; R399-D424 IonicContact NH2-OD1 3.81Å; R399-D424 PolarHBondContact NH2-OD1 2.96Å
400A98.6Very high96Very high0 Ų038 Ų380%019%0.186CC..  trans-167.7160.6-179.300000111.2T330 L397 D403 K407 I419 S420 A421T330-A400 WeakPolarHBondContact O-CA 3.14Å; T330-A400 WeakPolarHBondContact O-CB 3.33Å; L397-A400 HydrophobicContact CD1-CB 3.83Å; A400-D403 WeakPolarHBondContact CB-OD2 3.31Å; A400-K407 PolarHBondContact O-NZ 2.72Å; A400-I419 HydrophobicContact CB-CG2 3.98Å; A400-S420 PolarHBondContact N-O 2.97Å; A400-S420 VanDerWaalsContact N-O 3.08Å; A400-A421 WeakPolarHBondContact O-CA 3.42Å; A400-A421 WeakPolarHBondContact O-CB 3.49Å
401I98.8Very high96Very high0 Ų042.1 Ų42.10%021%0.213CC..EExtended strand (participates in β ladder)trans-93.7135.8167.5-63.2170000107.3V67 F98 I101 D102 L105 G329 T330 A332 A421V67-I401 HydrophobicContact CG1-CG2 4.29Å; F98-I401 HydrophobicContact CD1-CD1 3.94Å; F98-I401 HydrophobicContact CD1-CG1 4.39Å; F98-I401 HydrophobicContact CE1-CD1 4.3Å; F98-I401 HydrophobicContact CG-CD1 4.31Å; I101-I401 HydrophobicContact CG2-CD1 3.85Å; I101-I401 HydrophobicContact CG2-CG1 4.48Å; I101-I401 HydrophobicContact CG2-CG2 4.08Å; D102-I401 HydrophobicContact CB-CG2 4.39Å; D102-I401 WeakPolarHBondContact OD1-CA 3.38Å; L105-I401 HydrophobicContact CD1-CG2 3.7Å; G329-I401 CarbonylContact C-O 3.58Å; G329-I401 VanDerWaalsContact CA-O 3.24Å; G329-I401 WeakPolarHBondContact CA-O 3.49Å; T330-I401 HydrophobicContact CG2-CB 4.18Å; T330-I401 PolarHBondContact N-O 3.08Å; T330-I401 PolarHBondContact O-N 2.8Å; A332-I401 HydrophobicContact CB-CD1 3.71Å; I401-A421 HydrophobicContact CG1-CB 4.31Å
402G98.3Very high96.1Very high0 Ų044.3 Ų44.30%022%0.224CC..EExtended strand (participates in β ladder)trans95.8-143.4-166.400000111.5D102 G325 H404 K407D102-G402 PolarHBondContact OD1-N 2.83Å; G325-G402 CarbonylContact O-C 3.53Å; G402-H404 PolarHBondContact O-N 3.09Å; G402-H404 VanDerWaalsContact O-N 3.09Å; G402-H404 PolarHBondContact O-ND1 2.86Å; G402-K407 WeakPolarHBondContact O-CD 3.03Å; G402-K407 WeakPolarHBondContact O-CE 3.34Å; G402-K407 PolarHBondContact O-NZ 3.45Å
403D97.8Very high96.2Very high1 Ų143.9 Ų43.91%0.00522%0.224CC..  trans52.633.3176.4-60.3-58.5000114.5H62 G325 S326 S328 L395 A400 F405 Y406 I419H62-D403 IonicContact CD2-OD1 3.62Å; H62-D403 IonicContact CE1-OD1 3.6Å; H62-D403 IonicContact CE1-OD2 3.9Å; H62-D403 PolarHBondContact CE1-OD2 2.76Å; H62-D403 IonicContact NE2-OD1 2.7Å; H62-D403 PolarHBondContact NE2-OD1 3.11Å; H62-D403 IonicContact NE2-OD2 2.76Å; H62-D403 PolarHBondContact NE2-OD2 3.27Å; G325-D403 PolarHBondContact O-N 3.08Å; S326-D403 CarbonylContact O-C 3.54Å; S326-D403 VanDerWaalsContact O-CA 3.31Å; S326-D403 WeakPolarHBondContact O-CA 3.22Å; S328-D403 PolarHBondContact O-N 3.22Å; L395-D403 HydrophobicContact CD1-CB 4.1Å; L395-D403 WeakPolarHBondContact CD1-OD1 3.39Å; A400-D403 WeakPolarHBondContact CB-OD2 3.31Å; D403-F405 PolarHBondContact O-N 3.34Å; D403-Y406 HydrophobicContact CB-CD2 4.25Å; D403-Y406 PolarHBondContact O-N 2.97Å; D403-I419 HydrophobicContact CB-CB 4.39Å; D403-I419 HydrophobicContact CB-CG1 4.46Å; D403-I419 HydrophobicContact CB-CG2 4.09Å
404H96.9Very high96.4Very high29 Ų2945.9 Ų45.913%0.13423%0.231CC..THydrogen-bonded Turntrans-64.7-6.5-176.8-69.384.9000114.1D102 T106 G325 S326 G402 Y406 K407 R408D102-H404 PolarHBondContact O-CE1 3.38Å; D102-H404 VanDerWaalsContact O-CE1 3.23Å; D102-H404 PolarHBondContact O-NE2 3.2Å; D102-H404 IonicContact OD1-CE1 3.17Å; D102-H404 PolarHBondContact OD1-CE1 2.98Å; D102-H404 VanDerWaalsContact OD1-CE1 3.28Å; D102-H404 IonicContact OD1-NE2 2.68Å; D102-H404 IonicContact OD2-NE2 3.49Å; T106-H404 WeakPolarHBondContact CG2-CD2 3.43Å; T106-H404 WeakPolarHBondContact CG2-NE2 3.42Å; G325-H404 PolarHBondContact O-N 3Å; G325-H404 PolarHBondContact O-ND1 2.97Å; S326-H404 PolarHBondContact O-N 3.17Å; G402-H404 PolarHBondContact O-N 3.09Å; G402-H404 VanDerWaalsContact O-N 3.09Å; G402-H404 PolarHBondContact O-ND1 2.86Å; H404-Y406 VanDerWaalsContact C-N 3.29Å; H404-K407 PolarHBondContact O-N 2.96Å; H404-R408 WeakPolarHBondContact O-CG 3.22Å; H404-R408 PolarHBondContact O-NE 2.87Å
405F95.5Very high96.7Very high40 Ų4048.2 Ų48.218%0.17524%0.235CC..THydrogen-bonded Turntrans-56.3-42.2161.8-168-83.7000112.5V315 S326 D403 R408V315-F405 HydrophobicContact CG1-CE1 4.01Å; V315-F405 HydrophobicContact CG1-CZ 4.01Å; S326-F405 WeakPolarHBondContact O-CB 3.45Å; S326-F405 PolarHBondContact O-N 2.93Å; S326-F405 PolarHBondContact OG-N 2.78Å; D403-F405 PolarHBondContact O-N 3.34Å; F405-R408 VanDerWaalsContact O-CD 3.32Å; F405-R408 WeakPolarHBondContact O-CD 3.37Å; F405-R408 WeakPolarHBondContact O-CG 3.39Å
406Y96.9Very high96.9Very high23 Ų2351.9 Ų51.99%0.0925%0.252CS..THydrogen-bonded Turntrans-89.2-6.6-176.1-62.3-96.7000113.5V391 L395 D403 H404 M418 I419V391-Y406 HydrophobicContact CB-CE1 4.29Å; V391-Y406 HydrophobicContact CG1-CD1 3.83Å; V391-Y406 HydrophobicContact CG1-CE1 3.96Å; L395-Y406 HydrophobicContact CD1-CD2 3.6Å; L395-Y406 HydrophobicContact CD1-CE1 4.45Å; L395-Y406 HydrophobicContact CD1-CE2 3.36Å; L395-Y406 HydrophobicContact CD1-CG 4.26Å; L395-Y406 HydrophobicContact CG-CD2 4.5Å; L395-Y406 HydrophobicContact CG-CE2 3.79Å; D403-Y406 HydrophobicContact CB-CD2 4.25Å; D403-Y406 PolarHBondContact O-N 2.97Å; H404-Y406 VanDerWaalsContact C-N 3.29Å; Y406-M418 WeakPolarHBondContact O-CE 3.1Å; Y406-I419 HydrophobicContact CD1-CG1 4.21Å; Y406-I419 HydrophobicContact CD2-CG1 4.23Å; Y406-I419 HydrophobicContact CG-CG1 3.76Å
407K96.9Very high97.1Very high27 Ų2749.3 Ų49.312%0.11724%0.237CC..  trans-104.224.2-174.9-60.2175.1178173.40113.7D102 A400 G402 H404 Q417 I419D102-K407 IonicContact OD1-NZ 3.28Å; D102-K407 PolarHBondContact OD1-NZ 2.68Å; D102-K407 IonicContact OD2-NZ 2.68Å; D102-K407 PolarHBondContact OD2-NZ 2.85Å; A400-K407 PolarHBondContact O-NZ 2.72Å; G402-K407 WeakPolarHBondContact O-CD 3.03Å; G402-K407 WeakPolarHBondContact O-CE 3.34Å; G402-K407 PolarHBondContact O-NZ 3.45Å; H404-K407 PolarHBondContact O-N 2.96Å; K407-Q417 HydrophobicContact CB-CB 4.27Å; K407-Q417 HydrophobicContact CB-CG 4.03Å; K407-Q417 HydrophobicContact CG-CB 4.05Å; K407-Q417 HydrophobicContact CG-CG 4.26Å; K407-Q417 PolarHBondContact O-OE1 3.42Å; K407-I419 WeakPolarHBondContact CE-O 3.35Å; K407-I419 WeakPolarHBondContact CG-O 3.38Å
408R95Very high97.2Very high133 Ų13350.1 Ų50.150%0.50224%0.241SC..  trans-89.92.1-170.8-59.2-179.5175.5171-1.8114.5S326 H404 F405 K410S326-R408 PolarHBondContact OG-NH2 3.03Å; H404-R408 WeakPolarHBondContact O-CG 3.22Å; H404-R408 PolarHBondContact O-NE 2.87Å; F405-R408 VanDerWaalsContact O-CD 3.32Å; F405-R408 WeakPolarHBondContact O-CD 3.37Å; F405-R408 WeakPolarHBondContact O-CG 3.39Å; R408-K410 PolarHBondContact O-N 2.59Å; R408-K410 VanDerWaalsContact O-N 3.11Å
409N95.8Very high97.2Very high43 Ų4350.1 Ų50.123%0.2324%0.241CC..  trans-81.393.6-177.1-169.8-19.2000111.8A381 N411 L412 Q417A381-N409 PolarHBondContact O-ND2 2.93Å; N409-N411 PolarHBondContact O-N 2.91Å; N409-N411 PolarHBondContact OD1-N 2.57Å; N409-L412 HydrophobicContact CB-CD1 4.44Å; N409-L412 PolarHBondContact O-N 2.99Å; N409-L412 VanDerWaalsContact O-N 3.12Å; N409-Q417 PolarHBondContact O-NE2 2.94Å
410K94.8Very high97.2Very high205 Ų20549.4 Ų49.489%0.89124%0.239SC*.THydrogen-bonded Turntrans-63.4-7.6-176.1-60.6180-178.3177.80115.8R408R408-K410 PolarHBondContact O-N 2.59Å; R408-K410 VanDerWaalsContact O-N 3.11Å
411N96.7Very high97.1Very high154 Ų15449.4 Ų49.482%0.82424%0.239SC*.THydrogen-bonded Turntrans-94.8-8.9177.8-59-51000113N409N409-N411 PolarHBondContact O-N 2.91Å; N409-N411 PolarHBondContact OD1-N 2.57Å
412L97.4Very high97.1Very high46 Ų4651.7 Ų51.724%0.24125%0.251CS..SBendtrans-115.4149.7-176.8-62.1-179.8000110.7A381 N409 E416 Q417A381-L412 HydrophobicContact CB-CD1 3.94Å; N409-L412 HydrophobicContact CB-CD1 4.44Å; N409-L412 PolarHBondContact O-N 2.99Å; N409-L412 VanDerWaalsContact O-N 3.12Å; L412-E416 HydrophobicContact CB-CB 4.15Å; L412-E416 HydrophobicContact CD1-CB 4.49Å; L412-Q417 PolarHBondContact O-NE2 2.93Å; L412-Q417 VanDerWaalsContact O-NE2 3.13Å
413P97.7Very high97.2Very high47 Ų4752 Ų5231%0.30525%0.253SS..  trans-66.4166.2170.632.5-38.2000111.4E415 E416 Q417P413-E415 VanDerWaalsContact C-N 3.25Å; P413-E415 HydrophobicContact CB-CG 4.31Å; P413-E415 HydrophobicContact CG-CG 4.13Å; P413-E415 PolarHBondContact O-N 3.31Å; P413-E416 VanDerWaalsContact CD-OE2 3.31Å; P413-E416 WeakPolarHBondContact CD-OE2 3.41Å; P413-E416 HydrophobicContact CG-CB 3.89Å; P413-E416 HydrophobicContact CG-CG 3.77Å; P413-E416 PolarHBondContact O-N 2.92Å; P413-Q417 PolarHBondContact O-NE2 3.16Å
414P96.7Very high97.2Very high75 Ų7555.4 Ų55.449%0.48727%0.271SS..G310 helixtrans-55.4-37.6179.3-27.236.2000113.9L99 E416 Q417L99-P414 HydrophobicContact CD2-CB 4.26Å; P414-E416 VanDerWaalsContact C-N 3.3Å; P414-E416 PolarHBondContact O-N 3.49Å; P414-Q417 WeakPolarHBondContact O-CG 3.41Å
415E96.6Very high97.2Very high76 Ų7656.4 Ų56.436%0.35528%0.277SS..G310 helixtrans-69.9-21.4-17955.5-93.6-14000114.5R377 P413 S420 L422R377-E415 VanDerWaalsContact CD-O 3.27Å; R377-E415 WeakPolarHBondContact CD-O 3.47Å; P413-E415 VanDerWaalsContact C-N 3.25Å; P413-E415 HydrophobicContact CB-CG 4.31Å; P413-E415 HydrophobicContact CG-CG 4.13Å; P413-E415 PolarHBondContact O-N 3.31Å; E415-S420 WeakPolarHBondContact CA-OG 3.2Å; E415-S420 WeakPolarHBondContact O-CB 3.23Å; E415-S420 PolarHBondContact O-OG 3.44Å; E415-L422 HydrophobicContact CB-CB 3.95Å; E415-L422 HydrophobicContact CB-CD2 3.86Å; E415-L422 HydrophobicContact CB-CG 4.4Å
416E97.8Very high97.4Very high100 Ų10057 Ų5747%0.46728%0.279SS..G310 helixtrans-101.56.9-177.8-69.6-177.7173.300113.8L412 P413 P414L412-E416 HydrophobicContact CB-CB 4.15Å; L412-E416 HydrophobicContact CD1-CB 4.49Å; P413-E416 VanDerWaalsContact CD-OE2 3.31Å; P413-E416 WeakPolarHBondContact CD-OE2 3.41Å; P413-E416 HydrophobicContact CG-CB 3.89Å; P413-E416 HydrophobicContact CG-CG 3.77Å; P413-E416 PolarHBondContact O-N 2.92Å; P414-E416 VanDerWaalsContact C-N 3.3Å; P414-E416 PolarHBondContact O-N 3.49Å
417Q98.3Very high97.5Very high9 Ų958.9 Ų58.94%0.04229%0.293CS..SBendtrans-66166.9174.2-60.6-60.4-47.200112.3R377 K407 N409 L412 P413 P414 I419R377-Q417 WeakPolarHBondContact CD-O 3.3Å; R377-Q417 WeakPolarHBondContact CG-O 3.3Å; R377-Q417 PolarHBondContact NE-O 3.01Å; K407-Q417 HydrophobicContact CB-CB 4.27Å; K407-Q417 HydrophobicContact CB-CG 4.03Å; K407-Q417 HydrophobicContact CG-CB 4.05Å; K407-Q417 HydrophobicContact CG-CG 4.26Å; K407-Q417 PolarHBondContact O-OE1 3.42Å; N409-Q417 PolarHBondContact O-NE2 2.94Å; L412-Q417 PolarHBondContact O-NE2 2.93Å; L412-Q417 VanDerWaalsContact O-NE2 3.13Å; P413-Q417 PolarHBondContact O-NE2 3.16Å; P414-Q417 WeakPolarHBondContact O-CG 3.41Å; Q417-I419 WeakPolarHBondContact CB-O 3.36Å
418M97.3Very high97.5Very high28 Ų2859 Ų5914%0.13829%0.294CS..SBendtrans-56.4-56.3179.1-72.4176.1-82.800110.9R377 I378 A381 G383 V391 N392 Y406R377-M418 PolarHBondContact NE-O 3.38Å; R377-M418 PolarHBondContact NH2-O 3.16Å; I378-M418 WeakPolarHBondContact CG1-O 3.49Å; A381-M418 HydrophobicContact CB-CB 4.36Å; A381-M418 HydrophobicContact CB-CG 3.52Å; G383-M418 WeakPolarHBondContact CA-SD 3.4Å; V391-M418 HydrophobicContact CG1-CB 4.22Å; N392-M418 PolarHBondContact ND2-SD 2.85Å; Y406-M418 WeakPolarHBondContact O-CE 3.1Å
419I98.3Very high97.7Very high0 Ų057 Ų570%030%0.297CS..SBendtrans-92.7125.7164.7-56.6-58.8000108.2V391 L395 L397 S398 A400 D403 Y406 K407 Q417V391-I419 HydrophobicContact CB-CD1 4.39Å; V391-I419 HydrophobicContact CG1-CD1 4.47Å; V391-I419 HydrophobicContact CG2-CD1 3.91Å; L395-I419 HydrophobicContact CB-CD1 4.45Å; L395-I419 HydrophobicContact CD1-CD1 3.9Å; L395-I419 HydrophobicContact CD1-CG1 3.75Å; L397-I419 HydrophobicContact CD1-CD1 4.33Å; L397-I419 WeakPolarHBondContact O-CD1 3.47Å; S398-I419 WeakPolarHBondContact O-CA 3.2Å; A400-I419 HydrophobicContact CB-CG2 3.98Å; D403-I419 HydrophobicContact CB-CB 4.39Å; D403-I419 HydrophobicContact CB-CG1 4.46Å; D403-I419 HydrophobicContact CB-CG2 4.09Å; Y406-I419 HydrophobicContact CD1-CG1 4.21Å; Y406-I419 HydrophobicContact CD2-CG1 4.23Å; Y406-I419 HydrophobicContact CG-CG1 3.76Å; K407-I419 WeakPolarHBondContact CE-O 3.35Å; K407-I419 WeakPolarHBondContact CG-O 3.38Å; Q417-I419 WeakPolarHBondContact CB-O 3.36Å
420S98.3Very high97.8Very high2 Ų255.6 Ų55.61%0.01429%0.29CS..BIsolated β-bridgetrans-109.5137.1-179.6-172.70000111.4S398 R399 A400 E415 L422S398-S420 PolarHBondContact O-N 2.97Å; R399-S420 CarbonylContact C-O 3.54Å; R399-S420 WeakPolarHBondContact CA-O 3.41Å; R399-S420 WeakPolarHBondContact CB-O 3.42Å; A400-S420 PolarHBondContact N-O 2.97Å; A400-S420 VanDerWaalsContact N-O 3.08Å; E415-S420 WeakPolarHBondContact CA-OG 3.2Å; E415-S420 WeakPolarHBondContact O-CB 3.23Å; E415-S420 PolarHBondContact O-OG 3.44Å; S420-L422 PolarHBondContact OG-N 3.1Å
421A98.4Very high97.9Very high0 Ų048.5 Ų48.50%026%0.264CS..  trans-88.3-2.8170.900000113.2F98 L99 D102 A400 I401 P423F98-A421 WeakPolarHBondContact CB-O 3.23Å; L99-A421 HydrophobicContact CD2-CB 4.41Å; D102-A421 HydrophobicContact CB-CB 3.64Å; D102-A421 WeakPolarHBondContact OD2-CB 3.33Å; A400-A421 WeakPolarHBondContact O-CA 3.42Å; A400-A421 WeakPolarHBondContact O-CB 3.49Å; I401-A421 HydrophobicContact CG1-CB 4.31Å; A421-P423 VanDerWaalsContact O-CD 3.31Å; A421-P423 WeakPolarHBondContact O-CD 3.35Å
422L98.6Very high97.7Very high48 Ų4847.3 Ų47.325%0.25126%0.257SS..PPolyproline II helixtrans-69.8120.6178.8-176.173.7000110E95 L99 R399 E415 S420E95-L422 HydrophobicContact CB-CD1 4.16Å; E95-L422 HydrophobicContact CG-CD1 4.34Å; L99-L422 HydrophobicContact CD1-CD1 4.08Å; L99-L422 HydrophobicContact CD2-CB 4.28Å; L99-L422 HydrophobicContact CG-CD1 4.33Å; R399-L422 WeakPolarHBondContact CD-O 3.49Å; R399-L422 PolarHBondContact NH1-O 2.95Å; E415-L422 HydrophobicContact CB-CB 3.95Å; E415-L422 HydrophobicContact CB-CD2 3.86Å; E415-L422 HydrophobicContact CB-CG 4.4Å; S420-L422 PolarHBondContact OG-N 3.1Å
423P98.6Very high97.7Very high5 Ų549.7 Ų49.73%0.03227%0.27CS..PPolyproline II helixtrans-83146.2179.532.7-34.3000112.5F98 A345 N346 A347 A421 I425F98-P423 HydrophobicContact CB-CG 4.02Å; F98-P423 HydrophobicContact CD1-CB 3.7Å; F98-P423 HydrophobicContact CD1-CG 3.65Å; F98-P423 HydrophobicContact CD2-CG 4.05Å; F98-P423 HydrophobicContact CE1-CB 3.66Å; F98-P423 HydrophobicContact CE1-CG 4.03Å; F98-P423 HydrophobicContact CE2-CG 4.39Å; F98-P423 HydrophobicContact CG-CB 4.22Å; F98-P423 HydrophobicContact CG-CG 3.65Å; F98-P423 HydrophobicContact CZ-CB 4.16Å; F98-P423 HydrophobicContact CZ-CG 4.38Å; A345-P423 HydrophobicContact CB-CB 3.88Å; A345-P423 HydrophobicContact CB-CG 4.12Å; N346-P423 CarbonylContact O-C 3.6Å; N346-P423 WeakPolarHBondContact O-CA 3.39Å; N346-P423 WeakPolarHBondContact O-CB 3.46Å; A347-P423 HydrophobicContact CB-CB 4.42Å; A421-P423 VanDerWaalsContact O-CD 3.31Å; A421-P423 WeakPolarHBondContact O-CD 3.35Å; P423-I425 HydrophobicContact CB-CD1 4.3Å; P423-I425 HydrophobicContact CG-CD1 3.92Å
424D98Very high97.7Very high74 Ų7447.5 Ų47.540%0.39626%0.256SS..EExtended strand (participates in β ladder)trans-73.5133.4161.5-92.430.6000109.5A345 N346 H367 R399A345-D424 CarbonylContact C-O 3.58Å; A345-D424 WeakPolarHBondContact CA-O 3.33Å; N346-D424 PolarHBondContact N-O 2.9Å; N346-D424 PolarHBondContact O-N 3.4Å; H367-D424 IonicContact NE2-OD1 3.65Å; R399-D424 IonicContact CZ-OD1 2.78Å; R399-D424 VanDerWaalsContact CZ-OD1 3.26Å; R399-D424 IonicContact NH1-OD1 2.75Å; R399-D424 PolarHBondContact NH1-OD1 2.76Å; R399-D424 IonicContact NH2-OD1 3.81Å; R399-D424 PolarHBondContact NH2-OD1 2.96Å
425I98.5Very high97.6Very high49 Ų4946.3 Ų46.325%0.25124%0.244SC..EExtended strand (participates in β ladder)trans-110125.6-177.8-49.3-62.6000111.4Q91 L94 E95 I343 V344 A345 P423 V427Q91-I425 HydrophobicContact CB-CG2 3.88Å; Q91-I425 HydrophobicContact CG-CG2 3.81Å; L94-I425 HydrophobicContact CB-CD1 3.89Å; E95-I425 HydrophobicContact CG-CD1 4.32Å; E95-I425 HydrophobicContact CG-CG1 4.01Å; I343-I425 HydrophobicContact CG2-CG2 3.83Å; V344-I425 CarbonylContact O-C 3.54Å; V344-I425 WeakPolarHBondContact O-CA 3.48Å; A345-I425 HydrophobicContact CB-CD1 3.48Å; A345-I425 VanDerWaalsContact CB-CD1 3.48Å; P423-I425 HydrophobicContact CB-CD1 4.3Å; P423-I425 HydrophobicContact CG-CD1 3.92Å; I425-V427 HydrophobicContact CG2-CG2 4.32Å
426K98.6Very high97.7Very high54 Ų5442.7 Ų42.724%0.23523%0.227CC..EExtended strand (participates in β ladder)trans-121.1140.8172.7-163.4160.5174.7178.40111.1V344 D362 M363 Y365V344-K426 PolarHBondContact N-O 2.76Å; V344-K426 PolarHBondContact O-N 2.84Å; D362-K426 WeakPolarHBondContact O-CE 3.18Å; D362-K426 PolarHBondContact O-NZ 3.22Å; M363-K426 HydrophobicContact CE-CB 4.05Å; M363-K426 HydrophobicContact CE-CG 3.93Å; M363-K426 VanDerWaalsContact O-CB 3.29Å; M363-K426 WeakPolarHBondContact O-CB 3.42Å; M363-K426 HydrophobicContact SD-CD 4.31Å; M363-K426 HydrophobicContact SD-CG 4.15Å; Y365-K426 HydrophobicContact CE2-CD 4.38Å; Y365-K426 PolarHBondContact OH-NZ 2.74Å
427V98.5Very high97.7Very high62 Ų6237.9 Ų37.938%0.37621%0.205SC..EExtended strand (participates in β ladder)trans-127.3131.7-174.7-176.40000110.7Q91 L342 I343 I425Q91-V427 HydrophobicContact CG-CG2 3.81Å; L342-V427 WeakPolarHBondContact O-CA 3.19Å; I343-V427 HydrophobicContact CG1-CG1 4.07Å; I343-V427 HydrophobicContact CG1-CG2 4.08Å; I343-V427 HydrophobicContact CG2-CG2 4.22Å; I425-V427 HydrophobicContact CG2-CG2 4.32Å
428L98.5Very high97.8Very high28 Ų2837.5 Ų37.515%0.14720%0.203CC..EExtended strand (participates in β ladder)trans-128.6137.8-179.5-177.362.4000110.4L342 V354 L361 M363 L430L342-L428 HydrophobicContact CB-CB 4.36Å; L342-L428 HydrophobicContact CD2-CD2 4.26Å; L342-L428 PolarHBondContact N-O 3.42Å; L342-L428 PolarHBondContact O-N 3.29Å; V354-L428 HydrophobicContact CB-CD2 4.46Å; V354-L428 HydrophobicContact CG1-CD2 4.19Å; V354-L428 HydrophobicContact CG2-CD2 4.14Å; L361-L428 HydrophobicContact CD2-CD1 4.04Å; L361-L428 HydrophobicContact CD2-CD2 3.93Å; M363-L428 HydrophobicContact CE-CB 3.73Å; M363-L428 HydrophobicContact SD-CB 3.82Å; M363-L428 HydrophobicContact SD-CD2 3.87Å; M363-L428 HydrophobicContact SD-CG 4.41Å; L428-L430 HydrophobicContact CD2-CD2 4.44Å
429T98.3Very high97.8Very high92 Ų9236.1 Ų36.156%0.56420%0.196SC*.EExtended strand (participates in β ladder)trans-98.9111.9172.6-620000109.3K340 T431K340-T429 WeakPolarHBondContact O-CA 3.35Å; T429-T431 PolarHBondContact O-N 3.25Å
430L97.6Very high97.9Very high14 Ų1436.1 Ų36.17%0.07320%0.196CC..  trans-66.8116.5-172.3-62.1173000112.2I337 K340 L342 L428 H434 F506I337-L430 HydrophobicContact CG2-CD1 4.27Å; K340-L430 PolarHBondContact NZ-O 2.84Å; K340-L430 PolarHBondContact O-N 2.79Å; L342-L430 HydrophobicContact CB-CD1 4.42Å; L342-L430 HydrophobicContact CB-CD2 4.14Å; L342-L430 HydrophobicContact CB-CG 4.26Å; L342-L430 HydrophobicContact CD2-CD2 4.49Å; L428-L430 HydrophobicContact CD2-CD2 4.44Å; L430-H434 HydrophobicContact CD2-CB 4.34Å; L430-F506 HydrophobicContact CD1-CD1 3.62Å; L430-F506 HydrophobicContact CD1-CE1 3.76Å; L430-F506 HydrophobicContact CD1-CG 4.31Å; L430-F506 HydrophobicContact CD2-CD1 3.98Å; L430-F506 HydrophobicContact CD2-CD2 4.15Å; L430-F506 HydrophobicContact CD2-CE1 3.7Å; L430-F506 HydrophobicContact CD2-CE2 3.88Å; L430-F506 HydrophobicContact CD2-CG 4.19Å; L430-F506 HydrophobicContact CD2-CZ 3.63Å; L430-F506 HydrophobicContact CG-CD1 4.44Å; L430-F506 HydrophobicContact CG-CE1 4.41Å
431T96.6Very high97.9Very high55 Ų5536 Ų3634%0.33720%0.195SC..  trans-97.8176.1172.279.30000111.2T429 D433 H434T429-T431 PolarHBondContact O-N 3.25Å; T431-D433 PolarHBondContact O-N 3.4Å; T431-D433 WeakPolarHBondContact OG1-CB 3.45Å; T431-D433 PolarHBondContact OG1-N 2.91Å; T431-D433 VanDerWaalsContact OG1-N 3.11Å; T431-D433 PolarHBondContact OG1-OD2 3.21Å; T431-H434 PolarHBondContact N-ND1 3.36Å; T431-H434 VanDerWaalsContact N-ND1 3.16Å; T431-H434 PolarHBondContact O-N 2.75Å; T431-H434 PolarHBondContact OG1-CE1 2.64Å; T431-H434 PolarHBondContact OG1-ND1 2.76Å
432D93.9Very high97.8Very high129 Ų12936.9 Ų36.969%0.6920%0.2SC*.THydrogen-bonded Turntrans-75.9-3.6174.5-58.2-55000113.4K507D432-K507 WeakPolarHBondContact O-CE 3.32Å; D432-K507 PolarHBondContact O-NZ 3.01Å
433D95.9Very high97.8Very high96 Ų9634.7 Ų34.751%0.51319%0.189SC..THydrogen-bonded Turntrans-85.7-16.1172.8-47.4-75000112.2E356 A357 T431E356-D433 HydrophobicContact CG-CB 4.31Å; A357-D433 PolarHBondContact N-O 2.87Å; T431-D433 PolarHBondContact O-N 3.4Å; T431-D433 WeakPolarHBondContact OG1-CB 3.45Å; T431-D433 PolarHBondContact OG1-N 2.91Å; T431-D433 VanDerWaalsContact OG1-N 3.11Å; T431-D433 PolarHBondContact OG1-OD2 3.21Å
434H97.7Very high97.8Very high2 Ų234.4 Ų34.41%0.00919%0.187CC..EExtended strand (participates in β ladder)trans-81.3133175.7-61.179.5000110S355 E356 L430 T431 F506 K507S355-H434 WeakPolarHBondContact O-CA 3.35Å; E356-H434 IonicContact OE1-CE1 2.75Å; E356-H434 PolarHBondContact OE1-CE1 3.24Å; E356-H434 IonicContact OE1-NE2 2.68Å; L430-H434 HydrophobicContact CD2-CB 4.34Å; T431-H434 PolarHBondContact N-ND1 3.36Å; T431-H434 VanDerWaalsContact N-ND1 3.16Å; T431-H434 PolarHBondContact O-N 2.75Å; T431-H434 PolarHBondContact OG1-CE1 2.64Å; T431-H434 PolarHBondContact OG1-ND1 2.76Å; H434-F506 HydrophobicContact CB-CD2 3.93Å; H434-F506 HydrophobicContact CB-CE2 4.25Å; H434-K507 WeakPolarHBondContact O-CE 3.19Å; H434-K507 PolarHBondContact O-NZ 3.02Å; H434-K507 VanDerWaalsContact O-NZ 3.13Å
435E95.8Very high97.8Very high49 Ų4931.5 Ų31.523%0.22917%0.171CC..EExtended strand (participates in β ladder)trans-111.4-56.7-169.5-60.5173111.300111.8S355 G358 Q458 F506S355-E435 PolarHBondContact O-N 2.98Å; S355-E435 PolarHBondContact OG-OE2 2.8Å; G358-E435 PolarHBondContact N-OE2 3.29Å; E435-Q458 PolarHBondContact OE1-NE2 3.33Å; E435-Q458 PolarHBondContact OE2-NE2 2.82Å; E435-F506 PolarHBondContact O-N 2.96Å
436F98.1Very high97.7Very high0 Ų032.8 Ų32.80%018%0.178CC..EExtended strand (participates in β ladder)trans-151.4165.1177.959.8-89.9000110.3S355 V438 V454 I457 Q458 I461 I503 I504 F506S355-F436 PolarHBondContact N-O 2.84Å; F436-V438 HydrophobicContact CD2-CG2 3.88Å; F436-V438 HydrophobicContact CE2-CG2 3.75Å; F436-V454 HydrophobicContact CE2-CG2 4.44Å; F436-V454 HydrophobicContact CZ-CG1 4.33Å; F436-I457 HydrophobicContact CD1-CG2 4.47Å; F436-I457 HydrophobicContact CD2-CG2 4.12Å; F436-I457 HydrophobicContact CE1-CG2 3.99Å; F436-I457 HydrophobicContact CE2-CB 3.94Å; F436-I457 HydrophobicContact CE2-CD1 4.06Å; F436-I457 HydrophobicContact CE2-CG2 3.6Å; F436-I457 HydrophobicContact CZ-CB 3.82Å; F436-I457 HydrophobicContact CZ-CG2 3.53Å; F436-Q458 HydrophobicContact CE1-CB 4.47Å; F436-I461 HydrophobicContact CB-CD1 4.26Å; F436-I461 HydrophobicContact CD1-CD1 3.59Å; F436-I461 HydrophobicContact CE1-CD1 4.14Å; F436-I461 HydrophobicContact CG-CD1 4.01Å; F436-I503 HydrophobicContact CB-CG2 4.36Å; F436-I503 HydrophobicContact CD2-CG2 4.31Å; F436-I504 CarbonylContact C-O 3.57Å; F436-I504 WeakPolarHBondContact CA-O 3.32Å; F436-I504 WeakPolarHBondContact CB-O 3.13Å; F436-F506 VanDerWaalsContact C-CE2 3.46Å
437M98.6Very high97.6Very high0 Ų032.6 Ų32.60%018%0.181CC..EExtended strand (participates in β ladder)trans-118.2156.816267.7-173.6-166.800110.8F56 A335 I337 L342 V353 V354 I439 I503 I504 F506F56-M437 HydrophobicContact CB-CE 4.29Å; F56-M437 HydrophobicContact CD2-CE 3.97Å; F56-M437 HydrophobicContact CG-CE 4.38Å; A335-M437 HydrophobicContact CB-CE 3.75Å; A335-M437 HydrophobicContact CB-SD 4.27Å; I337-M437 HydrophobicContact CD1-CE 3.63Å; I337-M437 HydrophobicContact CD1-SD 4.15Å; I337-M437 HydrophobicContact CG1-CE 4.39Å; L342-M437 HydrophobicContact CD1-CE 4.39Å; L342-M437 HydrophobicContact CD1-SD 3.66Å; L342-M437 HydrophobicContact CD2-SD 4Å; V353-M437 CarbonylContact O-C 3.48Å; V353-M437 VanDerWaalsContact O-CA 3.25Å; V353-M437 WeakPolarHBondContact O-CA 3.3Å; V354-M437 HydrophobicContact CG2-CB 3.83Å; M437-I439 HydrophobicContact CE-CD1 4.14Å; M437-I503 WeakPolarHBondContact O-CA 3.39Å; M437-I504 HydrophobicContact CE-CB 3.92Å; M437-I504 HydrophobicContact CE-CD1 3.71Å; M437-I504 HydrophobicContact CE-CG1 3.85Å; M437-I504 HydrophobicContact CE-CG2 4.23Å; M437-I504 HydrophobicContact CG-CB 3.92Å; M437-I504 HydrophobicContact CG-CD1 4.03Å; M437-I504 HydrophobicContact CG-CG1 4.47Å; M437-I504 PolarHBondContact N-O 2.91Å; M437-I504 PolarHBondContact O-N 3.4Å; M437-F506 HydrophobicContact CB-CE2 4.24Å; M437-F506 HydrophobicContact CB-CZ 3.76Å; M437-F506 HydrophobicContact CG-CE1 4.3Å; M437-F506 HydrophobicContact CG-CZ 3.88Å; M437-F506 HydrophobicContact SD-CE1 4.04Å; M437-F506 HydrophobicContact SD-CZ 3.92Å
438V98.9Very high97.6Very high0 Ų030.2 Ų30.20%017%0.166CC..EExtended strand (participates in β ladder)trans-120.5140.4174.9-167.20000107.5C352 V353 F436 W445 V453 I457 I502C352-V438 CarbonylContact C-O 3.16Å; C352-V438 VanDerWaalsContact CA-O 3.29Å; C352-V438 WeakPolarHBondContact CA-O 3.35Å; C352-V438 PolarHBondContact SG-O 2.92Å; V353-V438 PolarHBondContact N-O 3.01Å; V353-V438 PolarHBondContact O-N 3.16Å; F436-V438 HydrophobicContact CD2-CG2 3.88Å; F436-V438 HydrophobicContact CE2-CG2 3.75Å; V438-W445 HydrophobicContact CB-CH2 4.25Å; V438-W445 HydrophobicContact CG1-CH2 4.03Å; V438-W445 HydrophobicContact CG1-CZ2 4.17Å; V438-V453 HydrophobicContact CG1-CG1 4.14Å; V438-V453 HydrophobicContact CG2-CG1 4.38Å; V438-I457 HydrophobicContact CG1-CD1 4.27Å; V438-I457 HydrophobicContact CG2-CD1 3.44Å; V438-I457 VanDerWaalsContact CG2-CD1 3.44Å; V438-I502 CarbonylContact C-O 3.49Å; V438-I502 VanDerWaalsContact CA-O 3.31Å; V438-I502 WeakPolarHBondContact CA-O 3.44Å
439I98.9Very high97.6Very high0 Ų031.4 Ų31.40%018%0.177CC..EExtended strand (participates in β ladder)trans-132.1125.6170.6-50.2-179.1000106.7F56 V58 V333 A335 C352 M437 C501 I502 I504F56-I439 HydrophobicContact CB-CD1 3.74Å; V58-I439 HydrophobicContact CB-CG2 4.05Å; V58-I439 HydrophobicContact CG2-CB 4.28Å; V58-I439 HydrophobicContact CG2-CG2 3.73Å; V333-I439 HydrophobicContact CB-CG2 4.28Å; V333-I439 HydrophobicContact CG1-CG2 3.31Å; V333-I439 HydrophobicContact CG2-CG2 4.02Å; A335-I439 HydrophobicContact CB-CD1 3.65Å; C352-I439 HydrophobicContact CB-CG1 4.33Å; M437-I439 HydrophobicContact CE-CD1 4.14Å; I439-C501 CarbonylContact O-C 3.58Å; I439-C501 WeakPolarHBondContact O-CA 3.45Å; I439-I502 PolarHBondContact N-O 3.35Å; I439-I502 PolarHBondContact O-N 3.01Å; I439-I504 HydrophobicContact CD1-CD1 4.25Å; I439-I504 HydrophobicContact CG1-CD1 4.29Å
440A98.9Very high97.6Very high0 Ų027.6 Ų27.60%015%0.154CC..EExtended strand (participates in β ladder)trans-151.6161.3178.500000112.9R351 I444 W445 T500 C501R351-A440 PolarHBondContact N-O 2.83Å; R351-A440 PolarHBondContact O-N 2.81Å; R351-A440 VanDerWaalsContact O-N 3.11Å; A440-I444 HydrophobicContact CB-CB 4.05Å; A440-I444 HydrophobicContact CB-CG1 3.91Å; A440-I444 HydrophobicContact CB-CG2 4.46Å; A440-W445 HydrophobicContact CB-CZ2 3.94Å; A440-W445 PolarHBondContact O-NE1 2.98Å; A440-T500 WeakPolarHBondContact CA-O 3.14Å; A440-T500 VanDerWaalsContact CB-O 3.3Å; A440-T500 WeakPolarHBondContact CB-O 3.2Å; A440-C501 HydrophobicContact CB-CB 3.73Å
441C98.6Very high97.7Very high0 Ų030 Ų300%017%0.165CC..  trans-77.5174.1172.464.40000112.6D41 V58 D60 G443 I444 T500D41-C441 PolarHBondContact OD2-SG 2.94Å; D41-C441 VanDerWaalsContact OD2-SG 3.33Å; V58-C441 HydrophobicContact CG1-CB 4.01Å; D60-C441 HydrophobicContact CB-CB 3.95Å; D60-C441 VanDerWaalsContact OD2-CB 3.25Å; D60-C441 WeakPolarHBondContact OD2-CB 3.43Å; C441-G443 VanDerWaalsContact C-N 3.28Å; C441-G443 PolarHBondContact O-N 2.7Å; C441-I444 PolarHBondContact O-N 2.75Å; C441-T500 PolarHBondContact N-O 2.88Å; C441-T500 PolarHBondContact SG-N 3.33Å
442D97.3Very high97.8Very high17 Ų1732.3 Ų32.39%0.09117%0.172CC..Hα-helixtrans-67.7-26.4-170109.2-26000113.2D60 I444 W445 N446D60-D442 PolarHBondContact OD2-N 2.76Å; D442-I444 CarbonylContact O-C 3.57Å; D442-I444 PolarHBondContact O-N 3.12Å; D442-W445 PolarHBondContact O-N 3.23Å; D442-N446 WeakPolarHBondContact O-CB 3.23Å; D442-N446 VanDerWaalsContact O-CG 3.32Å; D442-N446 PolarHBondContact O-N 3.03Å; D442-N446 PolarHBondContact O-ND2 3.27Å; D442-N446 PolarHBondContact OD1-ND2 3.06Å; D442-N446 VanDerWaalsContact OD1-ND2 3.16Å; D442-N446 PolarHBondContact OD2-ND2 3.26Å
443G97.5Very high98Very high2 Ų226.1 Ų26.12%0.02114%0.139CC..Hα-helixtrans-59.7-12.3175.200000115.2C441 V447C441-G443 VanDerWaalsContact C-N 3.28Å; C441-G443 PolarHBondContact O-N 2.7Å; G443-V447 WeakPolarHBondContact O-CG2 3.36Å
444I98.6Very high98.2Very high0 Ų021.6 Ų21.60%012%0.115CC..Hα-helixtrans-96.2-48.5166.7-54.8-56.5000111.2A440 C441 D442 N446 V447 M448 V453 L480 L481 C484 M499 C501A440-I444 HydrophobicContact CB-CB 4.05Å; A440-I444 HydrophobicContact CB-CG1 3.91Å; A440-I444 HydrophobicContact CB-CG2 4.46Å; C441-I444 PolarHBondContact O-N 2.75Å; D442-I444 CarbonylContact O-C 3.57Å; D442-I444 PolarHBondContact O-N 3.12Å; I444-N446 PolarHBondContact O-N 3.11Å; I444-V447 PolarHBondContact O-N 3.1Å; I444-V447 VanDerWaalsContact O-N 3.1Å; I444-M448 PolarHBondContact O-N 3.43Å; I444-V453 HydrophobicContact CG2-CG2 4.2Å; I444-L480 HydrophobicContact CG2-CD2 4.2Å; I444-L480 HydrophobicContact CG2-CG 4.47Å; I444-L481 HydrophobicContact CD1-CD1 3.66Å; I444-L481 HydrophobicContact CD1-CG 4.48Å; I444-C484 HydrophobicContact CD1-CB 3.97Å; I444-M499 HydrophobicContact CD1-CB 3.96Å; I444-M499 HydrophobicContact CD1-CG 3.76Å; I444-M499 HydrophobicContact CD1-SD 4.1Å; I444-C501 HydrophobicContact CG1-CB 4.39Å
445W98.1Very high98.2Very high12 Ų1225.6 Ų25.65%0.04514%0.136CC..Hα-helixtrans-75.8-20.6-170-56.4119.1000114.8R351 V353 V438 A440 D442 V447 V453R351-W445 HydrophobicContact CB-CD2 4.01Å; R351-W445 HydrophobicContact CB-CG 3.94Å; R351-W445 HydrophobicContact CB-CZ2 4.31Å; R351-W445 PolarHBondContact O-NE1 2.86Å; V353-W445 HydrophobicContact CB-CH2 4.09Å; V353-W445 HydrophobicContact CG2-CH2 3.55Å; V353-W445 HydrophobicContact CG2-CZ2 4.08Å; V353-W445 HydrophobicContact CG2-CZ3 3.9Å; V438-W445 HydrophobicContact CB-CH2 4.25Å; V438-W445 HydrophobicContact CG1-CH2 4.03Å; V438-W445 HydrophobicContact CG1-CZ2 4.17Å; A440-W445 HydrophobicContact CB-CZ2 3.94Å; A440-W445 PolarHBondContact O-NE1 2.98Å; D442-W445 PolarHBondContact O-N 3.23Å; W445-V447 VanDerWaalsContact C-N 3.29Å; W445-V453 HydrophobicContact CE3-CG2 4.1Å; W445-V453 HydrophobicContact CH2-CB 4.28Å; W445-V453 HydrophobicContact CH2-CG1 4.03Å; W445-V453 HydrophobicContact CH2-CG2 4.39Å; W445-V453 HydrophobicContact CZ3-CB 3.78Å; W445-V453 HydrophobicContact CZ3-CG1 4.02Å; W445-V453 HydrophobicContact CZ3-CG2 3.6Å
446N96.3Very high98.3Very high76 Ų7624 Ų2441%0.40613%0.129SC..THydrogen-bonded Turntrans-72.2-23.1169-70.2-22000112.1D442 I444D442-N446 WeakPolarHBondContact O-CB 3.23Å; D442-N446 VanDerWaalsContact O-CG 3.32Å; D442-N446 PolarHBondContact O-N 3.03Å; D442-N446 PolarHBondContact O-ND2 3.27Å; D442-N446 PolarHBondContact OD1-ND2 3.06Å; D442-N446 VanDerWaalsContact OD1-ND2 3.16Å; D442-N446 PolarHBondContact OD2-ND2 3.26Å; I444-N446 PolarHBondContact O-N 3.11Å
447V97.9Very high98.3Very high50 Ų5024 Ų2430%0.30313%0.129SC..THydrogen-bonded Turntrans-101.7-33.1-176.5-161.60000112.5G443 I444 W445 C484 T494G443-V447 WeakPolarHBondContact O-CG2 3.36Å; I444-V447 PolarHBondContact O-N 3.1Å; I444-V447 VanDerWaalsContact O-N 3.1Å; W445-V447 VanDerWaalsContact C-N 3.29Å; V447-C484 HydrophobicContact CB-CB 4.17Å; V447-C484 HydrophobicContact CG1-CB 4.4Å; V447-C484 HydrophobicContact CG2-CB 4.12Å; V447-T494 HydrophobicContact CB-CG2 4.34Å; V447-T494 HydrophobicContact CG1-CG2 4.35Å; V447-T494 HydrophobicContact CG2-CG2 3.87Å
448M98.4Very high98.2Very high13 Ų1326.9 Ų26.96%0.06414%0.142CC..SBendtrans-135.6132-178-67.3-175.861.400111.9I444 E452 V453 F456 L480 Q483I444-M448 PolarHBondContact O-N 3.43Å; M448-E452 HydrophobicContact CB-CB 4.42Å; M448-E452 HydrophobicContact CE-CB 3.89Å; M448-V453 HydrophobicContact CB-CG2 3.63Å; M448-V453 HydrophobicContact CE-CG2 4.29Å; M448-F456 HydrophobicContact CE-CB 4.03Å; M448-F456 HydrophobicContact CE-CD2 4.32Å; M448-F456 HydrophobicContact CE-CG 4.42Å; M448-L480 HydrophobicContact CE-CD1 4.06Å; M448-L480 HydrophobicContact SD-CD1 3.6Å; M448-Q483 HydrophobicContact SD-CG 4.24Å; M448-Q483 PolarHBondContact SD-NE2 2.98Å; M448-Q483 VanDerWaalsContact SD-NE2 3.36Å
449S98.5Very high98.1Very high53 Ų5330.2 Ų30.237%0.37117%0.165SC..  trans-68.7160.5176.469.80000112.6Q451 E452 V453S449-Q451 PolarHBondContact O-N 3.42Å; S449-Q451 VanDerWaalsContact O-N 3.12Å; S449-E452 WeakPolarHBondContact CB-OE2 3.13Å; S449-E452 PolarHBondContact N-OE2 2.88Å; S449-E452 PolarHBondContact O-N 2.81Å; S449-E452 WeakPolarHBondContact OG-CG 3.45Å; S449-E452 PolarHBondContact OG-OE2 2.86Å; S449-V453 PolarHBondContact O-N 3.34Å
450S98.6Very high97.9Very high12 Ų1231.4 Ų31.48%0.08417%0.17CC..Hα-helixtrans-51.1-38.3179.3-55.90000113.6R351 D362 V454R351-S450 PolarHBondContact NH1-OG 3.27Å; R351-S450 VanDerWaalsContact NH1-OG 3.1Å; D362-S450 WeakPolarHBondContact OD1-CB 3.39Å; D362-S450 PolarHBondContact OD1-OG 3.25Å; S450-V454 WeakPolarHBondContact O-CG2 3.43Å; S450-V454 PolarHBondContact O-N 2.8Å
451Q98.8Very high97.7Very high64 Ų6432.2 Ų32.230%0.29917%0.174SC..Hα-helixtrans-75.5-37.8177.2-174.964.550.900112.5G358 A360 S449 V453 V454 D455G358-Q451 PolarHBondContact O-NE2 3.02Å; A360-Q451 HydrophobicContact CB-CB 4.25Å; S449-Q451 PolarHBondContact O-N 3.42Å; S449-Q451 VanDerWaalsContact O-N 3.12Å; Q451-V453 VanDerWaalsContact C-N 3.34Å; Q451-V453 PolarHBondContact O-N 2.95Å; Q451-V454 PolarHBondContact O-N 3.47Å; Q451-D455 PolarHBondContact NE2-OD1 3.48Å; Q451-D455 WeakPolarHBondContact O-CB 3.19Å; Q451-D455 PolarHBondContact O-N 3Å
452E98.8Very high97.3Very high103 Ų10336.5 Ų36.548%0.48120%0.204SC..Hα-helixtrans-66.5-37178.7-71.2165.4121.500111.8M448 S449 F456M448-E452 HydrophobicContact CB-CB 4.42Å; M448-E452 HydrophobicContact CE-CB 3.89Å; S449-E452 WeakPolarHBondContact CB-OE2 3.13Å; S449-E452 PolarHBondContact N-OE2 2.88Å; S449-E452 PolarHBondContact O-N 2.81Å; S449-E452 WeakPolarHBondContact OG-CG 3.45Å; S449-E452 PolarHBondContact OG-OE2 2.86Å; E452-F456 WeakPolarHBondContact O-CB 3.48Å; E452-F456 PolarHBondContact O-N 3.01Å
453V98.8Very high97.1Very high0 Ų039.6 Ų39.60%022%0.218CC..Hα-helixtrans-66.5-42.1172.6177.30000111.1V438 I444 W445 M448 S449 Q451 F456 I457 L480V438-V453 HydrophobicContact CG1-CG1 4.14Å; V438-V453 HydrophobicContact CG2-CG1 4.38Å; I444-V453 HydrophobicContact CG2-CG2 4.2Å; W445-V453 HydrophobicContact CE3-CG2 4.1Å; W445-V453 HydrophobicContact CH2-CB 4.28Å; W445-V453 HydrophobicContact CH2-CG1 4.03Å; W445-V453 HydrophobicContact CH2-CG2 4.39Å; W445-V453 HydrophobicContact CZ3-CB 3.78Å; W445-V453 HydrophobicContact CZ3-CG1 4.02Å; W445-V453 HydrophobicContact CZ3-CG2 3.6Å; M448-V453 HydrophobicContact CB-CG2 3.63Å; M448-V453 HydrophobicContact CE-CG2 4.29Å; S449-V453 PolarHBondContact O-N 3.34Å; Q451-V453 VanDerWaalsContact C-N 3.34Å; Q451-V453 PolarHBondContact O-N 2.95Å; V453-F456 PolarHBondContact O-N 2.96Å; V453-I457 HydrophobicContact CG1-CD1 3.75Å; V453-I457 WeakPolarHBondContact O-CB 3.32Å; V453-I457 WeakPolarHBondContact O-CD1 3.21Å; V453-I457 VanDerWaalsContact O-CG1 3.28Å; V453-I457 WeakPolarHBondContact O-CG1 3.45Å; V453-I457 PolarHBondContact O-N 3.46Å; V453-L480 HydrophobicContact CG1-CD2 3.98Å; V453-L480 HydrophobicContact CG2-CD1 4.47Å
454V98.7Very high96.8Very high1 Ų144.1 Ų44.11%0.00624%0.235CC..Hα-helixtrans-62.3-47174.4164.80000111.6V353 A360 F436 S450 Q451 I457 Q458V353-V454 HydrophobicContact CG1-CG2 3.95Å; A360-V454 HydrophobicContact CB-CG2 4.08Å; F436-V454 HydrophobicContact CE2-CG2 4.44Å; F436-V454 HydrophobicContact CZ-CG1 4.33Å; S450-V454 WeakPolarHBondContact O-CG2 3.43Å; S450-V454 PolarHBondContact O-N 2.8Å; Q451-V454 PolarHBondContact O-N 3.47Å; V454-I457 PolarHBondContact O-N 2.67Å; V454-Q458 WeakPolarHBondContact O-CB 3.5Å; V454-Q458 PolarHBondContact O-N 3.22Å
455D98.6Very high96.2Very high86 Ų8647.3 Ų47.346%0.4625%0.252SS..Hα-helixtrans-63.8-42.8177.7-73.9-18000111.7Q451 I457 Q458 S459Q451-D455 PolarHBondContact NE2-OD1 3.48Å; Q451-D455 WeakPolarHBondContact O-CB 3.19Å; Q451-D455 PolarHBondContact O-N 3Å; D455-I457 PolarHBondContact O-N 2.84Å; D455-Q458 PolarHBondContact O-N 2.99Å; D455-S459 WeakPolarHBondContact O-CB 3.11Å; D455-S459 PolarHBondContact O-N 3.48Å; D455-S459 PolarHBondContact O-OG 3.15Å
456F98.6Very high95.7Very high16 Ų1655.8 Ų55.87%0.0729%0.292CS..Hα-helixtrans-57.3-48.9175.4175.9-76.7000111.1M448 E452 V453 S459 K460 I476 E479 L480 Q483M448-F456 HydrophobicContact CE-CB 4.03Å; M448-F456 HydrophobicContact CE-CD2 4.32Å; M448-F456 HydrophobicContact CE-CG 4.42Å; E452-F456 WeakPolarHBondContact O-CB 3.48Å; E452-F456 PolarHBondContact O-N 3.01Å; V453-F456 PolarHBondContact O-N 2.96Å; F456-S459 PolarHBondContact O-OG 3.3Å; F456-K460 HydrophobicContact CD1-CD 4.28Å; F456-K460 HydrophobicContact CE1-CD 3.76Å; F456-K460 VanDerWaalsContact CE1-NZ 3.32Å; F456-K460 VanDerWaalsContact CG-NZ 3.31Å; F456-K460 HydrophobicContact CZ-CD 3.98Å; F456-K460 VanDerWaalsContact CZ-CE 3.41Å; F456-K460 PolarHBondContact O-NZ 2.8Å; F456-I476 HydrophobicContact CE1-CG2 4.24Å; F456-E479 HydrophobicContact CZ-CB 3.84Å; F456-L480 HydrophobicContact CD1-CB 4.34Å; F456-L480 HydrophobicContact CD1-CD1 3.92Å; F456-L480 HydrophobicContact CD2-CD1 4.32Å; F456-L480 HydrophobicContact CE1-CB 3.73Å; F456-L480 HydrophobicContact CE1-CD1 4.08Å; F456-L480 HydrophobicContact CE1-CG 4.46Å; F456-L480 HydrophobicContact CE2-CD1 4.44Å; F456-L480 HydrophobicContact CG-CD1 4.07Å; F456-L480 HydrophobicContact CZ-CB 3.99Å; F456-L480 HydrophobicContact CZ-CD1 4.33Å; F456-Q483 HydrophobicContact CE2-CB 4.36Å
457I98.1Very high95.2Very high0 Ų058 Ų580%030%0.304CS..Hα-helixtrans-70.5-46.8-178.8-67.9165.6000110.2F436 V438 V453 V454 D455 S459 K460 I461 I476 I503F436-I457 HydrophobicContact CD1-CG2 4.47Å; F436-I457 HydrophobicContact CD2-CG2 4.12Å; F436-I457 HydrophobicContact CE1-CG2 3.99Å; F436-I457 HydrophobicContact CE2-CB 3.94Å; F436-I457 HydrophobicContact CE2-CD1 4.06Å; F436-I457 HydrophobicContact CE2-CG2 3.6Å; F436-I457 HydrophobicContact CZ-CB 3.82Å; F436-I457 HydrophobicContact CZ-CG2 3.53Å; V438-I457 HydrophobicContact CG1-CD1 4.27Å; V438-I457 HydrophobicContact CG2-CD1 3.44Å; V438-I457 VanDerWaalsContact CG2-CD1 3.44Å; V453-I457 HydrophobicContact CG1-CD1 3.75Å; V453-I457 WeakPolarHBondContact O-CB 3.32Å; V453-I457 WeakPolarHBondContact O-CD1 3.21Å; V453-I457 VanDerWaalsContact O-CG1 3.28Å; V453-I457 WeakPolarHBondContact O-CG1 3.45Å; V453-I457 PolarHBondContact O-N 3.46Å; V454-I457 PolarHBondContact O-N 2.67Å; D455-I457 PolarHBondContact O-N 2.84Å; I457-S459 PolarHBondContact O-N 3.02Å; I457-K460 CarbonylContact O-C 3.58Å; I457-K460 WeakPolarHBondContact O-CA 3.47Å; I457-K460 PolarHBondContact O-N 2.74Å; I457-I461 HydrophobicContact CG2-CB 4.27Å; I457-I461 HydrophobicContact CG2-CD1 4.05Å; I457-I461 WeakPolarHBondContact O-CB 3.17Å; I457-I461 PolarHBondContact O-N 2.67Å; I457-I476 HydrophobicContact CG1-CG2 4.3Å; I457-I503 HydrophobicContact CD1-CD1 3.65Å; I457-I503 HydrophobicContact CD1-CG1 3.87Å; I457-I503 HydrophobicContact CG1-CD1 3.79Å; I457-I503 HydrophobicContact CG2-CD1 4.01Å; I457-I503 HydrophobicContact CG2-CG2 4.45Å
458Q96.2Very high94.6Very high59 Ų5957.1 Ų57.128%0.27631%0.305SS..Hα-helixtrans-60.1-34.9-178.7-175.769.6-32.900112E435 F436 V454 D455 K460E435-Q458 PolarHBondContact OE1-NE2 3.33Å; E435-Q458 PolarHBondContact OE2-NE2 2.82Å; F436-Q458 HydrophobicContact CE1-CB 4.47Å; V454-Q458 WeakPolarHBondContact O-CB 3.5Å; V454-Q458 PolarHBondContact O-N 3.22Å; D455-Q458 PolarHBondContact O-N 2.99Å; Q458-K460 PolarHBondContact O-N 3.29Å
459S95.8Very high94.1Very high70 Ų7061.1 Ų61.149%0.4932%0.323SS..Hα-helixtrans-64.8-21.317376.80000114.3D455 F456 I457 Q463D455-S459 WeakPolarHBondContact O-CB 3.11Å; D455-S459 PolarHBondContact O-N 3.48Å; D455-S459 PolarHBondContact O-OG 3.15Å; F456-S459 PolarHBondContact O-OG 3.3Å; I457-S459 PolarHBondContact O-N 3.02Å; S459-Q463 PolarHBondContact O-NE2 3.13Å
460K95.8Very high93.8Very high25 Ų2560 Ų6011%0.10931%0.313CS..Hα-helixtrans-111.5-29.1-174.2-64-179.2-173.374.30114.5F456 I457 Q458 S462 Q463 I476 E479F456-K460 HydrophobicContact CD1-CD 4.28Å; F456-K460 HydrophobicContact CE1-CD 3.76Å; F456-K460 VanDerWaalsContact CE1-NZ 3.32Å; F456-K460 VanDerWaalsContact CG-NZ 3.31Å; F456-K460 HydrophobicContact CZ-CD 3.98Å; F456-K460 VanDerWaalsContact CZ-CE 3.41Å; F456-K460 PolarHBondContact O-NZ 2.8Å; I457-K460 CarbonylContact O-C 3.58Å; I457-K460 WeakPolarHBondContact O-CA 3.47Å; I457-K460 PolarHBondContact O-N 2.74Å; Q458-K460 PolarHBondContact O-N 3.29Å; K460-S462 PolarHBondContact O-N 3.41Å; K460-S462 VanDerWaalsContact O-N 3.11Å; K460-Q463 VanDerWaalsContact O-CB 3.27Å; K460-Q463 WeakPolarHBondContact O-CB 3.32Å; K460-Q463 PolarHBondContact O-N 2.91Å; K460-I476 HydrophobicContact CB-CD1 3.9Å; K460-I476 HydrophobicContact CB-CG1 3.95Å; K460-I476 HydrophobicContact CB-CG2 4.05Å; K460-I476 HydrophobicContact CD-CG2 4.17Å; K460-E479 VanDerWaalsContact CD-OE2 3.22Å; K460-E479 WeakPolarHBondContact CD-OE2 3.45Å; K460-E479 WeakPolarHBondContact CE-OE2 3.3Å
461I93.4Very high93.5Very high17 Ų1761.2 Ų61.29%0.08732%0.316CS..Hα-helixtrans-64.2-22.9-169.2-157.3169000114.2F436 I457 L473 R509F436-I461 HydrophobicContact CB-CD1 4.26Å; F436-I461 HydrophobicContact CD1-CD1 3.59Å; F436-I461 HydrophobicContact CE1-CD1 4.14Å; F436-I461 HydrophobicContact CG-CD1 4.01Å; I457-I461 HydrophobicContact CG2-CB 4.27Å; I457-I461 HydrophobicContact CG2-CD1 4.05Å; I457-I461 WeakPolarHBondContact O-CB 3.17Å; I457-I461 PolarHBondContact O-N 2.67Å; I461-L473 HydrophobicContact CD1-CD2 4.35Å; I461-L473 HydrophobicContact CG1-CD2 4.07Å; I461-R509 PolarHBondContact O-NH2 2.82Å
462S91.3Very high93.3Very high90 Ų9063 Ų6363%0.62933%0.327SS*.THydrogen-bonded Turntrans-101.51.3174.3-64.60000114.3K460K460-S462 PolarHBondContact O-N 3.41Å; K460-S462 VanDerWaalsContact O-N 3.11Å
463Q92.5Very high93.3Very high82 Ų8258.2 Ų58.238%0.38330%0.304SS..  trans-70.6154.3176.5-66.4179.610.800111.4S459 K460 R471S459-Q463 PolarHBondContact O-NE2 3.13Å; K460-Q463 VanDerWaalsContact O-CB 3.27Å; K460-Q463 WeakPolarHBondContact O-CB 3.32Å; K460-Q463 PolarHBondContact O-N 2.91Å; Q463-R471 HydrophobicContact CB-CG 4.12Å; Q463-R471 PolarHBondContact O-N 2.88Å
464R91.2Very high93.2Very high98 Ų9858.6 Ų58.637%0.3731%0.307SS..BIsolated β-bridgetrans-124.2151.3179.7-69.8173177.3-100.50.4110.9G468 E469 L470 T511R464-G468 WeakPolarHBondContact CD-O 3.12Å; R464-G468 PolarHBondContact NH1-O 3.33Å; R464-E469 CarbonylContact C-O 3.49Å; R464-E469 WeakPolarHBondContact CA-O 3.42Å; R464-E469 VanDerWaalsContact CB-O 3.26Å; R464-E469 WeakPolarHBondContact CB-O 3.38Å; R464-E469 WeakPolarHBondContact CG-O 3.49Å; R464-L470 HydrophobicContact CG-CD2 3.88Å; R464-L470 HydrophobicContact CG-CG 4.44Å; R464-T511 VanDerWaalsContact CZ-O 3.3Å; R464-T511 PolarHBondContact NH1-O 2.87Å; R464-T511 PolarHBondContact NH2-O 2.98Å
465D86.6Confident93.2Very high67 Ų6760.1 Ų60.136%0.35832%0.318SS..  trans-80.4-174.9179.182.2-25.8000112.4N467 G468 E469D465-N467 PolarHBondContact O-N 3.44Å; D465-N467 WeakPolarHBondContact OD1-CA 3.39Å; D465-N467 WeakPolarHBondContact OD1-CB 3.47Å; D465-N467 PolarHBondContact OD1-N 2.96Å; D465-N467 WeakPolarHBondContact OD2-CB 3.41Å; D465-N467 PolarHBondContact OD2-ND2 2.95Å; D465-G468 PolarHBondContact O-N 3.29Å; D465-G468 VanDerWaalsContact O-N 3.11Å; D465-G468 PolarHBondContact OD1-N 2.92Å; D465-E469 PolarHBondContact N-O 2.85Å; D465-E469 PolarHBondContact OD1-N 3.25Å
466E86.1Confident93.2Very high189 Ų18956 Ų5688%0.88330%0.296SS*.THydrogen-bonded Turntrans-65.7-20.5176.961.4175.4-173.800114.2
467N86.4Confident93.2Very high124 Ų12455.2 Ų55.266%0.66329%0.292SS*.THydrogen-bonded Turntrans-85.3-14.8175.2-56.9-76.2000112.2D465D465-N467 PolarHBondContact O-N 3.44Å; D465-N467 WeakPolarHBondContact OD1-CA 3.39Å; D465-N467 WeakPolarHBondContact OD1-CB 3.47Å; D465-N467 PolarHBondContact OD1-N 2.96Å; D465-N467 WeakPolarHBondContact OD2-CB 3.41Å; D465-N467 PolarHBondContact OD2-ND2 2.95Å
468G86.1Confident93.2Very high31 Ų3158.1 Ų58.132%0.3231%0.306SS..SBendtrans89.16.8-176.300000114.2R464 D465R464-G468 WeakPolarHBondContact CD-O 3.12Å; R464-G468 PolarHBondContact NH1-O 3.33Å; D465-G468 PolarHBondContact O-N 3.29Å; D465-G468 VanDerWaalsContact O-N 3.11Å; D465-G468 PolarHBondContact OD1-N 2.92Å
469E87.6Confident93.3Very high96 Ų9658.7 Ų58.745%0.44931%0.309SS..PPolyproline II helixtrans-80.4156.9173.2-65.3-60.4144.100110.4R464 D465 T511R464-E469 CarbonylContact C-O 3.49Å; R464-E469 WeakPolarHBondContact CA-O 3.42Å; R464-E469 VanDerWaalsContact CB-O 3.26Å; R464-E469 WeakPolarHBondContact CB-O 3.38Å; R464-E469 WeakPolarHBondContact CG-O 3.49Å; D465-E469 PolarHBondContact N-O 2.85Å; D465-E469 PolarHBondContact OD1-N 3.25Å; E469-T511 WeakPolarHBondContact OE2-CB 3.4Å; E469-T511 WeakPolarHBondContact OE2-CG2 3.47Å; E469-T511 PolarHBondContact OE2-OG1 2.7Å
470L91.1Very high93.5Very high29 Ų2955.4 Ų55.415%0.15229%0.285CS..BIsolated β-bridgetrans-69138.6177.4-73.9168.3000110.4R464 L472 R509 T511R464-L470 HydrophobicContact CG-CD2 3.88Å; R464-L470 HydrophobicContact CG-CG 4.44Å; L470-L472 PolarHBondContact O-N 3.25Å; L470-R509 HydrophobicContact CD1-CB 3.97Å; L470-T511 HydrophobicContact CB-CG2 4.33Å; L470-T511 HydrophobicContact CD1-CG2 4.31Å; L470-T511 HydrophobicContact CG-CG2 4.42Å
471R93.2Very high93.6Very high39 Ų3954.2 Ų54.215%0.14728%0.28CS..PPolyproline II helixtrans-53.3138.8174.6-74.1-165.665175.11.8111.2Q463 S475 I476 E479 R509Q463-R471 HydrophobicContact CB-CG 4.12Å; Q463-R471 PolarHBondContact O-N 2.88Å; R471-S475 PolarHBondContact NH2-O 2.99Å; R471-S475 PolarHBondContact NH2-OG 2.86Å; R471-I476 HydrophobicContact CB-CD1 4.41Å; R471-E479 IonicContact CZ-OE1 3.41Å; R471-E479 IonicContact CZ-OE2 3.6Å; R471-E479 VanDerWaalsContact NH1-CD 3.33Å; R471-E479 IonicContact NH1-OE1 3.2Å; R471-E479 PolarHBondContact NH1-OE1 3.2Å; R471-E479 IonicContact NH1-OE2 2.98Å; R471-E479 PolarHBondContact NH1-OE2 3.22Å; R471-E479 VanDerWaalsContact NH2-CD 3.34Å; R471-E479 IonicContact NH2-OE1 3.99Å; R471-E479 PolarHBondContact NH2-OE1 3.42Å; R471-E479 IonicContact NH2-OE2 2.61Å; R471-R509 VanDerWaalsContact O-CZ 3.23Å; R471-R509 PolarHBondContact O-NH1 3.11Å; R471-R509 PolarHBondContact O-NH2 3.23Å
472L95.3Very high93.8Very high101 Ų10157.7 Ų57.753%0.52930%0.299SS..PPolyproline II helixtrans-56.1148.5171.3-64.2179.9000110.9L470 I476L470-L472 PolarHBondContact O-N 3.25Å; L472-I476 WeakPolarHBondContact O-CG1 3.27Å
473L97.4Very high94.2Very high2 Ų258.7 Ų58.71%0.0129%0.294CS..Hα-helixtrans-73.3-41.1176.5-71.2176.5000110D16 P26 Y27 I461 S475 I476 V477 I503D16-L473 WeakPolarHBondContact OD1-CA 3.17Å; D16-L473 PolarHBondContact OD1-N 3.02Å; P26-L473 HydrophobicContact CB-CD1 4.27Å; Y27-L473 VanDerWaalsContact C-CD1 3.5Å; I461-L473 HydrophobicContact CD1-CD2 4.35Å; I461-L473 HydrophobicContact CG1-CD2 4.07Å; L473-S475 VanDerWaalsContact C-N 3.33Å; L473-S475 PolarHBondContact O-N 3Å; L473-I476 WeakPolarHBondContact O-CB 3.43Å; L473-I476 PolarHBondContact O-N 2.99Å; L473-V477 PolarHBondContact O-N 2.82Å; L473-V477 VanDerWaalsContact O-N 3.09Å; L473-I503 HydrophobicContact CD2-CG2 4.07Å
474S98Very high94.4Very high8 Ų854.9 Ų54.96%0.05628%0.276CS..Hα-helixtrans-47.7-53.6171.958.50000111.9D16 I476 V477 E478D16-S474 PolarHBondContact OD1-N 3.39Å; D16-S474 VanDerWaalsContact OD2-CB 3.25Å; D16-S474 WeakPolarHBondContact OD2-CB 3.41Å; D16-S474 PolarHBondContact OD2-OG 2.99Å; S474-I476 PolarHBondContact O-N 2.61Å; S474-I476 VanDerWaalsContact O-N 3.16Å; S474-V477 CarbonylContact O-C 3.53Å; S474-V477 WeakPolarHBondContact O-CA 3.37Å; S474-V477 WeakPolarHBondContact O-CB 3.36Å; S474-V477 PolarHBondContact O-N 3.24Å; S474-E478 WeakPolarHBondContact O-CG 3.39Å; S474-E478 PolarHBondContact O-N 2.81Å
475S97.8Very high94.8Very high33 Ų3351.9 Ų51.923%0.23127%0.267CS..Hα-helixtrans-62-21.9179.2-179.70000114.6R471 L473 E479R471-S475 PolarHBondContact NH2-O 2.99Å; R471-S475 PolarHBondContact NH2-OG 2.86Å; L473-S475 VanDerWaalsContact C-N 3.33Å; L473-S475 PolarHBondContact O-N 3Å; S475-E479 PolarHBondContact O-N 2.82Å
476I98.3Very high95.3Very high0 Ų049.3 Ų49.30%026%0.256CS..Hα-helixtrans-79.3-36.1171.1-65.3171000110.3F456 I457 K460 R471 L472 L473 S474 L480 I503F456-I476 HydrophobicContact CE1-CG2 4.24Å; I457-I476 HydrophobicContact CG1-CG2 4.3Å; K460-I476 HydrophobicContact CB-CD1 3.9Å; K460-I476 HydrophobicContact CB-CG1 3.95Å; K460-I476 HydrophobicContact CB-CG2 4.05Å; K460-I476 HydrophobicContact CD-CG2 4.17Å; R471-I476 HydrophobicContact CB-CD1 4.41Å; L472-I476 WeakPolarHBondContact O-CG1 3.27Å; L473-I476 WeakPolarHBondContact O-CB 3.43Å; L473-I476 PolarHBondContact O-N 2.99Å; S474-I476 PolarHBondContact O-N 2.61Å; S474-I476 VanDerWaalsContact O-N 3.16Å; I476-L480 PolarHBondContact O-N 2.85Å; I476-I503 HydrophobicContact CB-CD1 4.39Å; I476-I503 HydrophobicContact CG2-CD1 3.94Å
477V98.7Very high95.7Very high0 Ų046.2 Ų46.20%025%0.251CS..Hα-helixtrans-68.9-39.7172.9-172.40000111.2L473 S474 E479 L480 L481 C501 I503L473-V477 PolarHBondContact O-N 2.82Å; L473-V477 VanDerWaalsContact O-N 3.09Å; S474-V477 CarbonylContact O-C 3.53Å; S474-V477 WeakPolarHBondContact O-CA 3.37Å; S474-V477 WeakPolarHBondContact O-CB 3.36Å; S474-V477 PolarHBondContact O-N 3.24Å; V477-E479 VanDerWaalsContact C-N 3.33Å; V477-E479 PolarHBondContact O-N 3Å; V477-L480 WeakPolarHBondContact O-CA 3.41Å; V477-L480 WeakPolarHBondContact O-CB 3.25Å; V477-L480 PolarHBondContact O-N 3.06Å; V477-L481 HydrophobicContact CG1-CD1 3.81Å; V477-L481 WeakPolarHBondContact O-CD1 3.39Å; V477-L481 PolarHBondContact O-N 3Å; V477-C501 HydrophobicContact CG1-CB 3.54Å; V477-I503 HydrophobicContact CG2-CB 4.49Å; V477-I503 HydrophobicContact CG2-CD1 3.54Å; V477-I503 HydrophobicContact CG2-CG1 3.7Å
478E98.6Very high96.1Very high60 Ų6044 Ų4428%0.2824%0.24SC..Hα-helixtrans-56.7-44.6175.6-67.4-179.9154.400112K12 S14 S474 L480 L481 D482K12-E478 HydrophobicContact CD-CB 3.8Å; K12-E478 HydrophobicContact CD-CG 3.68Å; K12-E478 WeakPolarHBondContact CE-O 3.29Å; S14-E478 VanDerWaalsContact CB-OE1 3.25Å; S14-E478 WeakPolarHBondContact CB-OE1 3.22Å; S14-E478 PolarHBondContact OG-OE1 3.08Å; S474-E478 WeakPolarHBondContact O-CG 3.39Å; S474-E478 PolarHBondContact O-N 2.81Å; E478-L480 VanDerWaalsContact C-N 3.32Å; E478-L480 PolarHBondContact O-N 3.48Å; E478-L481 PolarHBondContact O-N 2.84Å; E478-D482 PolarHBondContact O-N 3.1Å
479E98.4Very high96.4Very high72 Ų7245 Ų4534%0.33624%0.24SC..Hα-helixtrans-66.9-28.6174-74.9-179.6-167.600113.5F456 K460 R471 S475 V477 Q483F456-E479 HydrophobicContact CZ-CB 3.84Å; K460-E479 VanDerWaalsContact CD-OE2 3.22Å; K460-E479 WeakPolarHBondContact CD-OE2 3.45Å; K460-E479 WeakPolarHBondContact CE-OE2 3.3Å; R471-E479 IonicContact CZ-OE1 3.41Å; R471-E479 IonicContact CZ-OE2 3.6Å; R471-E479 VanDerWaalsContact NH1-CD 3.33Å; R471-E479 IonicContact NH1-OE1 3.2Å; R471-E479 PolarHBondContact NH1-OE1 3.2Å; R471-E479 IonicContact NH1-OE2 2.98Å; R471-E479 PolarHBondContact NH1-OE2 3.22Å; R471-E479 VanDerWaalsContact NH2-CD 3.34Å; R471-E479 IonicContact NH2-OE1 3.99Å; R471-E479 PolarHBondContact NH2-OE1 3.42Å; R471-E479 IonicContact NH2-OE2 2.61Å; S475-E479 PolarHBondContact O-N 2.82Å; V477-E479 VanDerWaalsContact C-N 3.33Å; V477-E479 PolarHBondContact O-N 3Å; E479-Q483 WeakPolarHBondContact O-CB 3.33Å; E479-Q483 PolarHBondContact O-N 3.47Å; E479-Q483 VanDerWaalsContact O-N 3.1Å
480L98.6Very high96.6Very high0 Ų045.5 Ų45.50%025%0.254CS..Hα-helixtrans-71.2-44.6176.4-178.164.5000110.3I444 M448 V453 F456 I476 V477 E478 Q483 C484I444-L480 HydrophobicContact CG2-CD2 4.2Å; I444-L480 HydrophobicContact CG2-CG 4.47Å; M448-L480 HydrophobicContact CE-CD1 4.06Å; M448-L480 HydrophobicContact SD-CD1 3.6Å; V453-L480 HydrophobicContact CG1-CD2 3.98Å; V453-L480 HydrophobicContact CG2-CD1 4.47Å; F456-L480 HydrophobicContact CD1-CB 4.34Å; F456-L480 HydrophobicContact CD1-CD1 3.92Å; F456-L480 HydrophobicContact CD2-CD1 4.32Å; F456-L480 HydrophobicContact CE1-CB 3.73Å; F456-L480 HydrophobicContact CE1-CD1 4.08Å; F456-L480 HydrophobicContact CE1-CG 4.46Å; F456-L480 HydrophobicContact CE2-CD1 4.44Å; F456-L480 HydrophobicContact CG-CD1 4.07Å; F456-L480 HydrophobicContact CZ-CB 3.99Å; F456-L480 HydrophobicContact CZ-CD1 4.33Å; I476-L480 PolarHBondContact O-N 2.85Å; V477-L480 WeakPolarHBondContact O-CA 3.41Å; V477-L480 WeakPolarHBondContact O-CB 3.25Å; V477-L480 PolarHBondContact O-N 3.06Å; E478-L480 VanDerWaalsContact C-N 3.32Å; E478-L480 PolarHBondContact O-N 3.48Å; L480-Q483 PolarHBondContact O-N 3.34Å; L480-Q483 VanDerWaalsContact O-N 3.1Å; L480-C484 PolarHBondContact O-N 3.41Å; L480-C484 PolarHBondContact O-SG 3.35Å
481L98.6Very high96.5Very high0 Ų046.9 Ų46.90%028%0.275CS..Hα-helixtrans-59.3-43.8173.1-90.547.3000111.6K12 S30 M32 I444 V477 E478 Q483 C484 L485 M499 C501K12-L481 HydrophobicContact CD-CD2 4.28Å; S30-L481 WeakPolarHBondContact OG-CD2 3.48Å; M32-L481 HydrophobicContact CB-CD2 3.86Å; M32-L481 HydrophobicContact CB-CG 4.4Å; M32-L481 HydrophobicContact CE-CB 3.97Å; M32-L481 HydrophobicContact CE-CG 4.47Å; I444-L481 HydrophobicContact CD1-CD1 3.66Å; I444-L481 HydrophobicContact CD1-CG 4.48Å; V477-L481 HydrophobicContact CG1-CD1 3.81Å; V477-L481 WeakPolarHBondContact O-CD1 3.39Å; V477-L481 PolarHBondContact O-N 3Å; E478-L481 PolarHBondContact O-N 2.84Å; L481-Q483 PolarHBondContact O-N 3.16Å; L481-C484 PolarHBondContact O-N 3.31Å; L481-L485 WeakPolarHBondContact O-CB 3.46Å; L481-L485 PolarHBondContact O-N 2.94Å; L481-M499 HydrophobicContact CD1-CB 4.33Å; L481-M499 HydrophobicContact CG-CB 3.92Å; L481-C501 HydrophobicContact CD1-CB 4.15Å
482D98.5Very high96.2Very high91 Ų9150.8 Ų50.849%0.48730%0.299SS..Hα-helixtrans-68.9-19.4175.4-75-37.8000113.6K12 E478K12-D482 IonicContact NZ-OD1 2.76Å; K12-D482 PolarHBondContact NZ-OD1 3.46Å; K12-D482 IonicContact NZ-OD2 3.22Å; K12-D482 PolarHBondContact NZ-OD2 2.84Å; E478-D482 PolarHBondContact O-N 3.1Å
483Q98.1Very high96Very high111 Ų11146.5 Ų46.552%0.51928%0.279SS..Hα-helixtrans-85.9-28.5171.2-176.1172.6-47.600112.6M448 F456 E479 L480 L481M448-Q483 HydrophobicContact SD-CG 4.24Å; M448-Q483 PolarHBondContact SD-NE2 2.98Å; M448-Q483 VanDerWaalsContact SD-NE2 3.36Å; F456-Q483 HydrophobicContact CE2-CB 4.36Å; E479-Q483 WeakPolarHBondContact O-CB 3.33Å; E479-Q483 PolarHBondContact O-N 3.47Å; E479-Q483 VanDerWaalsContact O-N 3.1Å; L480-Q483 PolarHBondContact O-N 3.34Å; L480-Q483 VanDerWaalsContact O-N 3.1Å; L481-Q483 PolarHBondContact O-N 3.16Å
484C98.2Very high95.8Very high2 Ų249.3 Ų49.31%0.01430%0.297CS..Hα-helixtrans-83.9-25.1-179.9-61.30000113.2I444 V447 L480 L481 A486 G495 M499I444-C484 HydrophobicContact CD1-CB 3.97Å; V447-C484 HydrophobicContact CB-CB 4.17Å; V447-C484 HydrophobicContact CG1-CB 4.4Å; V447-C484 HydrophobicContact CG2-CB 4.12Å; L480-C484 PolarHBondContact O-N 3.41Å; L480-C484 PolarHBondContact O-SG 3.35Å; L481-C484 PolarHBondContact O-N 3.31Å; C484-A486 PolarHBondContact O-N 3.23Å; C484-G495 WeakPolarHBondContact O-CA 3.26Å; C484-M499 HydrophobicContact CB-SD 3.72Å
485L98.2Very high95.7Very high35 Ų3549.1 Ų49.118%0.18330%0.296CS..SBendtrans-64.2125.8-178.718065.4000113.2P8 T10 M32 L481 M499P8-L485 HydrophobicContact CB-CD1 4.03Å; P8-L485 HydrophobicContact CB-CD2 4.47Å; P8-L485 HydrophobicContact CG-CD2 4.34Å; T10-L485 HydrophobicContact CG2-CD2 3.52Å; M32-L485 HydrophobicContact CE-CB 4.09Å; M32-L485 HydrophobicContact CE-CD1 4.3Å; M32-L485 HydrophobicContact CE-CD2 4.16Å; M32-L485 HydrophobicContact CE-CG 4.42Å; L481-L485 WeakPolarHBondContact O-CB 3.46Å; L481-L485 PolarHBondContact O-N 2.94Å; L485-M499 HydrophobicContact CB-CE 4.08Å; L485-M499 HydrophobicContact CD1-CE 3.79Å
486A97.1Very high95.7Very high13 Ų1347.6 Ų47.611%0.10729%0.285CS..  trans-65.6143.317500000112.6W35 C484 D488 T494 G495W35-A486 PolarHBondContact NE1-O 3.37Å; C484-A486 PolarHBondContact O-N 3.23Å; A486-D488 VanDerWaalsContact C-N 3.34Å; A486-T494 WeakPolarHBondContact CB-O 3.4Å; A486-G495 WeakPolarHBondContact CB-O 3.32Å; A486-G495 PolarHBondContact N-O 3.02Å
487P95.3Very high95.6Very high123 Ų12348.6 Ų48.680%0.79929%0.29SS*.SBendtrans-73-26.1178.531-35.7000113.3W35W35-P487 WeakPolarHBondContact CZ2-O 3.39Å
488D94.6Very high95.5Very high78 Ų7848.7 Ų48.742%0.41729%0.291SS..SBendtrans-159.2170.9174.364.471.7000109.8A486 S490A486-D488 VanDerWaalsContact C-N 3.34Å; D488-S490 WeakPolarHBondContact OD1-CB 3.34Å; D488-S490 PolarHBondContact OD1-N 3.15Å; D488-S490 PolarHBondContact OD1-OG 2.88Å
489T93.8Very high95.5Very high53 Ų5345.9 Ų45.933%0.32528%0.278SS..SBendtrans-98.526.1-176.767.70000113.4Y4 W35Y4-T489 HydrophobicContact CD2-CG2 3.91Å; Y4-T489 HydrophobicContact CG-CG2 3.91Å; W35-T489 HydrophobicContact CB-CG2 3.96Å; W35-T489 HydrophobicContact CD2-CG2 3.43Å; W35-T489 VanDerWaalsContact CD2-CG2 3.43Å; W35-T489 HydrophobicContact CE3-CG2 3.37Å; W35-T489 HydrophobicContact CG-CG2 3.75Å; W35-T489 HydrophobicContact CH2-CG2 4.48Å; W35-T489 HydrophobicContact CZ3-CG2 3.92Å
490S90.9Very high95.6Very high106 Ų10642.4 Ų42.474%0.74126%0.262SS*.SBendtrans-88.7-4.3-179.2710000114.8D488D488-S490 WeakPolarHBondContact OD1-CB 3.34Å; D488-S490 PolarHBondContact OD1-N 3.15Å; D488-S490 PolarHBondContact OD1-OG 2.88Å
491G88.3Confident95.6Very high58 Ų5842.4 Ų42.460%0.59826%0.262SS*.SBendtrans-85.8-157.517500000114.1G493G491-G493 PolarHBondContact O-N 3.47Å
492D88.1Confident95.6Very high120 Ų12042.4 Ų42.464%0.64226%0.262SS*.SBendtrans-80.310.8179.95617.3000114.5M1 T494M1-D492 WeakPolarHBondContact CE-O 3.45Å; D492-T494 WeakPolarHBondContact OD1-CB 3.13Å; D492-T494 PolarHBondContact OD1-N 2.86Å; D492-T494 PolarHBondContact OD1-OG1 2.87Å
493G90.6Very high95.6Very high12 Ų1238.1 Ų38.112%0.12424%0.239CC..SBendtrans88.8-8.8-17500000114.7G491 G495 C496G491-G493 PolarHBondContact O-N 3.47Å; G493-G495 PolarHBondContact O-N 3.48Å; G493-C496 WeakPolarHBondContact O-CB 3.33Å; G493-C496 PolarHBondContact O-N 3.32Å
494T94.1Very high95.6Very high61 Ų6132.8 Ų32.837%0.37421%0.214SC..THydrogen-bonded Turntrans-54.8128175.5-58.90000110.8V447 A486 D492 C496V447-T494 HydrophobicContact CB-CG2 4.34Å; V447-T494 HydrophobicContact CG1-CG2 4.35Å; V447-T494 HydrophobicContact CG2-CG2 3.87Å; A486-T494 WeakPolarHBondContact CB-O 3.4Å; D492-T494 WeakPolarHBondContact OD1-CB 3.13Å; D492-T494 PolarHBondContact OD1-N 2.86Å; D492-T494 PolarHBondContact OD1-OG1 2.87Å; T494-C496 PolarHBondContact O-N 3.17Å
495G95.8Very high95.6Very high3 Ų332.9 Ų32.93%0.03122%0.215CC..THydrogen-bonded Turntrans73.46.6-178.600000115.4C484 A486 G493 D497C484-G495 WeakPolarHBondContact O-CA 3.26Å; A486-G495 WeakPolarHBondContact CB-O 3.32Å; A486-G495 PolarHBondContact N-O 3.02Å; G493-G495 PolarHBondContact O-N 3.48Å; G495-D497 VanDerWaalsContact C-N 3.33Å
496C96.6Very high95.4Very high2 Ų232.7 Ų32.71%0.01421%0.212CC..  trans-88.30.9175.9-60.50000113.4Y4 W35 R36 G493 T494Y4-C496 HydrophobicContact CD1-CB 4.24Å; Y4-C496 HydrophobicContact CE1-CB 3.55Å; Y4-C496 HydrophobicContact CE2-CB 4.48Å; W35-C496 HydrophobicContact CB-CB 4.14Å; W35-C496 WeakPolarHBondContact CB-O 3.27Å; W35-C496 HydrophobicContact CG-CB 4.47Å; W35-C496 PolarHBondContact N-O 2.86Å; R36-C496 PolarHBondContact N-O 3.04Å; G493-C496 WeakPolarHBondContact O-CB 3.33Å; G493-C496 PolarHBondContact O-N 3.32Å; T494-C496 PolarHBondContact O-N 3.17Å
497D96.5Very high95.1Very high20 Ų2036.2 Ų36.211%0.10723%0.225CC..SBendtrans-92.4177.2-166.4-123.2-51.2000116.1R36 G495 M499R36-D497 WeakPolarHBondContact CG-OD1 3.34Å; R36-D497 IonicContact CZ-OD1 2.67Å; R36-D497 VanDerWaalsContact CZ-OD1 3.3Å; R36-D497 IonicContact CZ-OD2 3.26Å; R36-D497 VanDerWaalsContact NE-CG 3.3Å; R36-D497 IonicContact NE-OD1 3.07Å; R36-D497 PolarHBondContact NE-OD1 3.32Å; R36-D497 IonicContact NE-OD2 3.88Å; R36-D497 PolarHBondContact NE-OD2 2.84Å; R36-D497 VanDerWaalsContact NH2-CG 3.35Å; R36-D497 IonicContact NH2-OD1 3.22Å; R36-D497 PolarHBondContact NH2-OD1 3.37Å; R36-D497 IonicContact NH2-OD2 2.76Å; R36-D497 PolarHBondContact NH2-OD2 2.59Å; G495-D497 VanDerWaalsContact C-N 3.33Å; D497-M499 WeakPolarHBondContact O-CE 3.43Å
498N97.9Very high94.6Very high3 Ų333.8 Ų33.82%0.01621%0.209CC..  trans-61.7149.8158.7-69.7175.1000110.2Q33 R36 S38 M39 E40 D41Q33-N498 PolarHBondContact O-ND2 3Å; R36-N498 WeakPolarHBondContact CB-ND2 3.46Å; S38-N498 PolarHBondContact O-ND2 3.08Å; M39-N498 WeakPolarHBondContact CA-OD1 3.34Å; M39-N498 HydrophobicContact SD-CB 3.98Å; E40-N498 PolarHBondContact N-OD1 2.81Å; D41-N498 HydrophobicContact CB-CB 4.27Å
499M98.6Very high94Very high0 Ų032.6 Ų32.60%020%0.199CC..EExtended strand (participates in β ladder)trans-143.9100.6-174.7-77.1174.5-97.400111.6A31 M32 D41 I444 L481 C484 L485 D497A31-M499 CarbonylContact C-O 3.55Å; A31-M499 VanDerWaalsContact CA-O 3.3Å; A31-M499 WeakPolarHBondContact CA-O 3.28Å; M32-M499 HydrophobicContact CE-CE 3.6Å; M32-M499 HydrophobicContact CE-SD 4.01Å; M32-M499 PolarHBondContact N-O 3.02Å; M32-M499 PolarHBondContact O-N 2.94Å; D41-M499 PolarHBondContact OD2-N 2.64Å; I444-M499 HydrophobicContact CD1-CB 3.96Å; I444-M499 HydrophobicContact CD1-CG 3.76Å; I444-M499 HydrophobicContact CD1-SD 4.1Å; L481-M499 HydrophobicContact CD1-CB 4.33Å; L481-M499 HydrophobicContact CG-CB 3.92Å; C484-M499 HydrophobicContact CB-SD 3.72Å; L485-M499 HydrophobicContact CB-CE 4.08Å; L485-M499 HydrophobicContact CD1-CE 3.79Å; D497-M499 WeakPolarHBondContact O-CE 3.43Å
500T98.8Very high92.7Very high0 Ų034 Ų340%021%0.205CC..EExtended strand (participates in β ladder)trans-116.1129.7171.7-64.30000110.7A31 M39 D41 H43 V58 A440 C441A31-T500 HydrophobicContact CB-CG2 4.17Å; A31-T500 WeakPolarHBondContact CB-OG1 3.18Å; M39-T500 WeakPolarHBondContact CE-OG1 3.37Å; D41-T500 WeakPolarHBondContact CB-OG1 3.17Å; D41-T500 VanDerWaalsContact CG-OG1 3.24Å; D41-T500 WeakPolarHBondContact OD2-CB 3.11Å; D41-T500 PolarHBondContact OD2-N 3.38Å; D41-T500 PolarHBondContact OD2-OG1 2.81Å; H43-T500 HydrophobicContact CB-CG2 3.91Å; V58-T500 HydrophobicContact CG1-CG2 4.07Å; V58-T500 HydrophobicContact CG2-CG2 4.07Å; A440-T500 WeakPolarHBondContact CA-O 3.14Å; A440-T500 VanDerWaalsContact CB-O 3.3Å; A440-T500 WeakPolarHBondContact CB-O 3.2Å; C441-T500 PolarHBondContact N-O 2.88Å; C441-T500 PolarHBondContact SG-N 3.33Å
501C98.8Very high90.9Very high0 Ų031.8 Ų31.80%019%0.187CC..EExtended strand (participates in β ladder)trans-143.2144.9178.7173.10000111.7F29 S30 I439 A440 I444 V477 L481F29-C501 WeakPolarHBondContact CA-O 2.97Å; F29-C501 WeakPolarHBondContact CB-O 3.42Å; S30-C501 PolarHBondContact N-O 3.28Å; S30-C501 VanDerWaalsContact N-O 3.08Å; S30-C501 PolarHBondContact O-N 2.97Å; I439-C501 CarbonylContact O-C 3.58Å; I439-C501 WeakPolarHBondContact O-CA 3.45Å; A440-C501 HydrophobicContact CB-CB 3.73Å; I444-C501 HydrophobicContact CG1-CB 4.39Å; V477-C501 HydrophobicContact CG1-CB 3.54Å; L481-C501 HydrophobicContact CD1-CB 4.15Å
502I98.9Very high88.8Confident0 Ų033.2 Ų33.20%019%0.193CC..EExtended strand (participates in β ladder)trans-130128.9179.1-41.9173.7000109F29 H43 F56 S57 V58 V438 I439 I504F29-I502 HydrophobicContact CB-CB 4.38Å; F29-I502 HydrophobicContact CB-CG1 4.08Å; F29-I502 HydrophobicContact CB-CG2 4.22Å; H43-I502 HydrophobicContact CB-CD1 4.3Å; F56-I502 HydrophobicContact CD1-CG2 4.27Å; S57-I502 WeakPolarHBondContact O-CD1 3.37Å; V58-I502 HydrophobicContact CG2-CD1 3.77Å; V58-I502 HydrophobicContact CG2-CG1 3.95Å; V438-I502 CarbonylContact C-O 3.49Å; V438-I502 VanDerWaalsContact CA-O 3.31Å; V438-I502 WeakPolarHBondContact CA-O 3.44Å; I439-I502 PolarHBondContact N-O 3.35Å; I439-I502 PolarHBondContact O-N 3.01Å; I502-I504 HydrophobicContact CB-CD1 3.95Å; I502-I504 HydrophobicContact CG2-CD1 3.45Å; I502-I504 VanDerWaalsContact CG2-CD1 3.45Å; I502-I504 HydrophobicContact CG2-CG1 4Å
503I98.8Very high86.7Confident0 Ų034 Ų340%019%0.193CC..EExtended strand (participates in β ladder)trans-106.1130168.8-58.4171.2000108.6Y27 G28 F436 M437 I457 L473 I476 V477Y27-I503 CarbonylContact C-O 3.47Å; Y27-I503 WeakPolarHBondContact CA-O 3.48Å; Y27-I503 WeakPolarHBondContact CB-O 3.38Å; G28-I503 PolarHBondContact N-O 2.98Å; G28-I503 PolarHBondContact O-N 2.63Å; F436-I503 HydrophobicContact CB-CG2 4.36Å; F436-I503 HydrophobicContact CD2-CG2 4.31Å; M437-I503 WeakPolarHBondContact O-CA 3.39Å; I457-I503 HydrophobicContact CD1-CD1 3.65Å; I457-I503 HydrophobicContact CD1-CG1 3.87Å; I457-I503 HydrophobicContact CG1-CD1 3.79Å; I457-I503 HydrophobicContact CG2-CD1 4.01Å; I457-I503 HydrophobicContact CG2-CG2 4.45Å; L473-I503 HydrophobicContact CD2-CG2 4.07Å; I476-I503 HydrophobicContact CB-CD1 4.39Å; I476-I503 HydrophobicContact CG2-CD1 3.94Å; V477-I503 HydrophobicContact CG2-CB 4.49Å; V477-I503 HydrophobicContact CG2-CD1 3.54Å; V477-I503 HydrophobicContact CG2-CG1 3.7Å
504I98.3Very high84.4Confident0 Ų040.2 Ų40.20%022%0.222CC..EExtended strand (participates in β ladder)trans-127.8118.1177.8-51.884.6000109.5L25 F56 F436 M437 I439 I502L25-I504 HydrophobicContact CB-CG2 4Å; L25-I504 HydrophobicContact CD1-CG2 4.44Å; F56-I504 HydrophobicContact CB-CD1 4.19Å; F56-I504 HydrophobicContact CB-CG1 4.4Å; F56-I504 HydrophobicContact CD1-CD1 4.17Å; F56-I504 HydrophobicContact CD1-CG1 3.68Å; F56-I504 HydrophobicContact CD2-CG1 3.94Å; F56-I504 HydrophobicContact CD2-CG2 4.36Å; F56-I504 HydrophobicContact CE1-CG1 3.85Å; F56-I504 HydrophobicContact CE2-CG1 4.09Å; F56-I504 HydrophobicContact CE2-CG2 3.87Å; F56-I504 HydrophobicContact CG-CD1 4.07Å; F56-I504 HydrophobicContact CG-CG1 3.74Å; F56-I504 HydrophobicContact CZ-CG1 4.05Å; F56-I504 HydrophobicContact CZ-CG2 4.03Å; F436-I504 CarbonylContact C-O 3.57Å; F436-I504 WeakPolarHBondContact CA-O 3.32Å; F436-I504 WeakPolarHBondContact CB-O 3.13Å; M437-I504 HydrophobicContact CE-CB 3.92Å; M437-I504 HydrophobicContact CE-CD1 3.71Å; M437-I504 HydrophobicContact CE-CG1 3.85Å; M437-I504 HydrophobicContact CE-CG2 4.23Å; M437-I504 HydrophobicContact CG-CB 3.92Å; M437-I504 HydrophobicContact CG-CD1 4.03Å; M437-I504 HydrophobicContact CG-CG1 4.47Å; M437-I504 PolarHBondContact N-O 2.91Å; M437-I504 PolarHBondContact O-N 3.4Å; I439-I504 HydrophobicContact CD1-CD1 4.25Å; I439-I504 HydrophobicContact CG1-CD1 4.29Å; I502-I504 HydrophobicContact CB-CD1 3.95Å; I502-I504 HydrophobicContact CG2-CD1 3.45Å; I502-I504 VanDerWaalsContact CG2-CD1 3.45Å; I502-I504 HydrophobicContact CG2-CG1 4Å
505C97.3Very high81.5Confident4 Ų446 Ų463%0.02725%0.245CC..EExtended strand (participates in β ladder)trans-87.6134.5178.2-59.20000111.8L25 P26 K507 R509L25-C505 WeakPolarHBondContact CA-O 3.48Å; L25-C505 WeakPolarHBondContact CD2-O 3.31Å; P26-C505 HydrophobicContact CB-CB 4.31Å; P26-C505 WeakPolarHBondContact CD-O 3.41Å; P26-C505 HydrophobicContact CG-CB 4.35Å; P26-C505 PolarHBondContact O-N 2.56Å; C505-K507 VanDerWaalsContact C-N 3.26Å; C505-K507 PolarHBondContact O-N 3.34Å; C505-R509 HydrophobicContact CB-CG 4.47Å
506F95.2Very high78.8Confident31 Ų3151.1 Ų51.114%0.13628%0.278CS..SBendtrans-79.5-7.8176.9-58.8-58.8000113.8L25 I337 L342 V354 L430 H434 E435 F436 M437L25-F506 HydrophobicContact CD2-CD1 4.19Å; I337-F506 HydrophobicContact CD1-CD1 4.46Å; I337-F506 HydrophobicContact CD1-CE1 3.94Å; L342-F506 HydrophobicContact CD2-CZ 4.14Å; V354-F506 HydrophobicContact CG1-CE2 4Å; V354-F506 HydrophobicContact CG2-CZ 4.47Å; L430-F506 HydrophobicContact CD1-CD1 3.62Å; L430-F506 HydrophobicContact CD1-CE1 3.76Å; L430-F506 HydrophobicContact CD1-CG 4.31Å; L430-F506 HydrophobicContact CD2-CD1 3.98Å; L430-F506 HydrophobicContact CD2-CD2 4.15Å; L430-F506 HydrophobicContact CD2-CE1 3.7Å; L430-F506 HydrophobicContact CD2-CE2 3.88Å; L430-F506 HydrophobicContact CD2-CG 4.19Å; L430-F506 HydrophobicContact CD2-CZ 3.63Å; L430-F506 HydrophobicContact CG-CD1 4.44Å; L430-F506 HydrophobicContact CG-CE1 4.41Å; H434-F506 HydrophobicContact CB-CD2 3.93Å; H434-F506 HydrophobicContact CB-CE2 4.25Å; E435-F506 PolarHBondContact O-N 2.96Å; F436-F506 VanDerWaalsContact C-CE2 3.46Å; M437-F506 HydrophobicContact CB-CE2 4.24Å; M437-F506 HydrophobicContact CB-CZ 3.76Å; M437-F506 HydrophobicContact CG-CE1 4.3Å; M437-F506 HydrophobicContact CG-CZ 3.88Å; M437-F506 HydrophobicContact SD-CE1 4.04Å; M437-F506 HydrophobicContact SD-CZ 3.92Å
507K89.6Confident75.9Confident86 Ų8658.2 Ų58.237%0.37432%0.315SS..SBendtrans-127.6144.3-177.4-62.7168.9-171153.20110.2D432 H434 C505 R509D432-K507 WeakPolarHBondContact O-CE 3.32Å; D432-K507 PolarHBondContact O-NZ 3.01Å; H434-K507 WeakPolarHBondContact O-CE 3.19Å; H434-K507 PolarHBondContact O-NZ 3.02Å; H434-K507 VanDerWaalsContact O-NZ 3.13Å; C505-K507 VanDerWaalsContact C-N 3.26Å; C505-K507 PolarHBondContact O-N 3.34Å; K507-R509 PolarHBondContact O-N 3.34Å
508P85.4Confident73Confident73 Ų7363.1 Ų63.147%0.47435%0.351SS..  trans-57.4128.3173-25.935.3000112.4P24 N510P24-P508 HydrophobicContact CB-CG 4.46Å; P24-P508 HydrophobicContact CG-CG 4.1Å; P508-N510 VanDerWaalsContact C-N 3.26Å; P508-N510 PolarHBondContact O-N 3.19Å
509R81.2Confident70Confident53 Ų5365.1 Ų65.120%0.237%0.372CS..  trans-79.872.9175-68.2-178.780.6-136.93.1109.9P26 I461 L470 R471 C505 K507 T511P26-R509 HydrophobicContact CB-CG 4.17Å; P26-R509 HydrophobicContact CG-CB 4.3Å; P26-R509 HydrophobicContact CG-CG 4.08Å; I461-R509 PolarHBondContact O-NH2 2.82Å; L470-R509 HydrophobicContact CD1-CB 3.97Å; R471-R509 VanDerWaalsContact O-CZ 3.23Å; R471-R509 PolarHBondContact O-NH1 3.11Å; R471-R509 PolarHBondContact O-NH2 3.23Å; C505-R509 HydrophobicContact CB-CG 4.47Å; K507-R509 PolarHBondContact O-N 3.34Å; R509-T511 PolarHBondContact O-N 3.14Å
510N67.5Low66.8Low82 Ų8274.9 Ų74.944%0.43942%0.415SS..  trans-63.1106.2-178.6-82.61.5000111.3P508 A512 E513P508-N510 VanDerWaalsContact C-N 3.26Å; P508-N510 PolarHBondContact O-N 3.19Å; N510-A512 VanDerWaalsContact C-N 3.26Å; N510-A512 PolarHBondContact O-N 3.4Å; N510-E513 HydrophobicContact CB-CB 4.12Å; N510-E513 PolarHBondContact ND2-OE2 2.53Å
511T52.7Low63.8Low60 Ų6086.6 Ų86.637%0.36846%0.459SS..THydrogen-bonded Turntrans-65.9-30.9177.868.30000112.2R464 E469 L470 R509R464-T511 VanDerWaalsContact CZ-O 3.3Å; R464-T511 PolarHBondContact NH1-O 2.87Å; R464-T511 PolarHBondContact NH2-O 2.98Å; E469-T511 WeakPolarHBondContact OE2-CB 3.4Å; E469-T511 WeakPolarHBondContact OE2-CG2 3.47Å; E469-T511 PolarHBondContact OE2-OG1 2.7Å; L470-T511 HydrophobicContact CB-CG2 4.33Å; L470-T511 HydrophobicContact CD1-CG2 4.31Å; L470-T511 HydrophobicContact CG-CG2 4.42Å; R509-T511 PolarHBondContact O-N 3.14Å
512A45.3Very low60.6Low87 Ų8795.5 Ų95.572%0.71950%0.498SS*.THydrogen-bonded Turntrans-79.8-18.3-177.700000116.1N510N510-A512 VanDerWaalsContact C-N 3.26Å; N510-A512 PolarHBondContact O-N 3.4Å
513E43.9Very low57.3Low138 Ų138103.3 Ų103.365%0.64554%0.539SS*.  trans-114.277.3-167-69-169.7135.900113.6N510N510-E513 HydrophobicContact CB-CB 4.12Å; N510-E513 PolarHBondContact ND2-OE2 2.53Å
514L40.7Very low54.1Low142 Ų142111.1 Ų111.174%0.74358%0.575SS**  trans-158.650.8153.3-113.9171.3000111.7
515Q33.3Very low50.9Low183 Ų183119.1 Ų119.186%0.85561%0.612SS**  trans-67.2131.1159.9-68.3-166.415.200108.3D517Q515-D517 PolarHBondContact O-N 2.8Å
516P39.9Very low47.8Very low110 Ų110125.3 Ų125.371%0.71465%0.65SS**  trans-63.7132.6178.925.9-33.7000110.1S518P516-S518 PolarHBondContact O-N 2.81Å
517D35.6Very low44.7Very low151 Ų151131.1 Ų131.181%0.80768%0.682SS**  trans-60.3100.7175.8173.425.3000110Q515 G519Q515-D517 PolarHBondContact O-N 2.8Å; D517-G519 PolarHBondContact O-N 2.73Å; D517-G519 VanDerWaalsContact O-N 3.08Å; D517-G519 PolarHBondContact OD1-N 2.79Å
518S35.5Very low41.8Very low122 Ų122132 Ų13285%0.85370%0.698SS**  trans-8128.417850.40000113.1P516P516-S518 PolarHBondContact O-N 2.81Å
519G34.1Very low39.7Very low45 Ų45133.4 Ų133.446%0.46471%0.708SS.*  trans82.7105.513300000115.9D517D517-G519 PolarHBondContact O-N 2.73Å; D517-G519 VanDerWaalsContact O-N 3.08Å; D517-G519 PolarHBondContact OD1-N 2.79Å
520K31.3Very low37.3Very low205 Ų205139.9 Ų139.989%0.89174%0.74SS**  trans-129.153.7155.7-71.7-172.1-179.9169.90112.8K522K520-K522 PolarHBondContact O-N 2.96Å; K520-K522 VanDerWaalsContact O-N 3.16Å
521R35.7Very low35.5Very low246 Ų246139.6 Ų139.693%0.92876%0.757SS**  trans-59.6115.7155.8-85.9-172.9-86-179-7.1108.3L523R521-L523 PolarHBondContact O-N 3.12Å
522K31.8Very low34.5Very low187 Ų187141.4 Ų141.481%0.81378%0.778SS**PPolyproline II helixtrans-59132.9168.3-97.4-179.2169.8-176.60108.7K520K520-K522 PolarHBondContact O-N 2.96Å; K520-K522 VanDerWaalsContact O-N 3.16Å
523L30.3Very low33.8Very low165 Ų165146.3 Ų146.386%0.86479%0.786SS**PPolyproline II helixtrans-78.3121.8161-133.475.5000107.7R521R521-L523 PolarHBondContact O-N 3.12Å
524E32.1Very low33.3Very low163 Ų163147.4 Ų147.476%0.76279%0.791SS**PPolyproline II helixtrans-100.1116.2162.5-66.8-165.2145.400107.9V526E524-V526 PolarHBondContact O-N 3.02Å; E524-V526 VanDerWaalsContact O-N 3.16Å
525E31.3Very low32.9Very low168 Ų168147.3 Ų147.379%0.78579%0.791SS**  trans-74.4102.2175.7-75.1-175.2115.100109.9L527E525-L527 PolarHBondContact O-N 2.88Å
526V30.9Very low32.7Very low135 Ų135142.4 Ų142.482%0.81879%0.79SS**  trans-80.198.1166.8-179.10000108.6E524E524-V526 PolarHBondContact O-N 3.02Å; E524-V526 VanDerWaalsContact O-N 3.16Å
527L31.6Very low32.3Very low152 Ų152144.7 Ų144.780%0.79680%0.796SS**  trans-124.8121.8168-77.6176.2000111.5E525E525-L527 PolarHBondContact O-N 2.88Å
528S28.4Very low32.4Very low104 Ų104142.8 Ų142.873%0.72780%0.795SS**  trans-140.1160.916470.70000106.2
529P41.7Very low32.4Very low104 Ų104143 Ų14368%0.67579%0.787SS**  cis-140.7-161.426.743.5-23.5000115.4
530E30.8Very low32.6Very low188 Ų188150.6 Ų150.688%0.87981%0.807SS**  trans69.7110.7155.2-70.3178.1165.100121.3
531G27.9Very low32.9Very low77 Ų77148.9 Ų148.979%0.79480%0.8SS**  118.7146.2109.500000120.1
532A31.6Very low32.9Very low98 Ų98146 Ų14681%0.8179%0.794SS**  trans63.588.4155.600000120.9
533E32.1Very low33.1Very low190 Ų190146.9 Ų146.989%0.88880%0.797SS**  37.5157.9118.1-58-168.1132.300125.1
534E32.8Very low33.5Very low161 Ų161143.4 Ų143.475%0.75279%0.793SS**  trans85.7113.7157.8-67.5-121.5120.600122.6
535N31.6Very low34.1Very low139 Ų139145.2 Ų145.274%0.74380%0.798SS**  trans59130.3132.8-60.6-34000122.7
536G30.2Very low34.5Very low81 Ų81147.3 Ų147.384%0.83580%0.799SS**  trans178.526.4171.500000122.2
537N32.1Very low35.4Very low157 Ų157151.1 Ų151.184%0.8482%0.815SS**  trans-31.1127.8176.1171.540.3000118.6
538S35.7Very low35.6Very low111 Ų111151.1 Ų151.178%0.77682%0.816SS**  -179.7148.1128.4460000118.4
539D35.5Very low36Very low127 Ų127153.6 Ų153.668%0.67982%0.82SS**  trans-26.6142.2171.5-92.3-81.5000122.2
540K39.2Very low35.7Very low205 Ų205156.3 Ų156.389%0.89183%0.828SS**  -169.699.4117.2-102.9155.2-170.3164.90118.1
541K36.9Very low36Very low169 Ų169154.5 Ų154.574%0.73583%0.825SS**  trans25.2121.6137.8-70.6172-179.6162.60123.4
542K36.3Very low36.5Very low186 Ų186159.3 Ų159.381%0.80983%0.827SS**  66.7112123.9-63.3-174.3174-1690122.5
543K37.2Very low36.8Very low204 Ų204163.4 Ų163.489%0.88783%0.828SS**  167.9138.5109-93.2-178.6175.8-1790108.7
544A38.4Very low37.2Very low93 Ų93161.5 Ų161.577%0.76982%0.824SS**  cis119101.122.100000111.4
545K43.4Very low37.5Very low200 Ų200161.5 Ų161.587%0.8783%0.83SS**  trans-146.1137.2156.4-88.6-174175.5179.90104.8
546R41.2Very low38Very low213 Ų213163.4 Ų163.480%0.80484%0.837SS**  58.8111.969.5-76.2-150.1174165.1-2.6112.3
547D49.9Very low38.7Very low215 Ų215170.9 Ų170.9100%1.1584%0.837SS**  cis-139.10-5-75.8-62.2000109.8

Retrieved 547 of 547 residues in 129 ms (Link to these results)

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