A0A077ZDI7_TRITR Loading...

Ribosome biogenesis protein BRX1 homolog

Required for biogenesis of the 60S ribosomal subunit.

AlphaFold DB , UniProt , Accession A0A077ZDI7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 337 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
1M48.5Very low48.2Very low251 Ų251137.1 Ų137.1100%1.23686%0.861SS**  0910-89.3170.5160.900108
2A48.1Very low48Very low100 Ų100134.8 Ų134.883%0.82685%0.854SS**  trans-155.682.5170.900000106.1
3E47.2Very low48.1Very low199 Ų199139.3 Ų139.393%0.9386%0.857SS**  trans-88.2103.6173.1-73.3-178167.300107.8G5E3-G5 PolarHBondContact O-N 3.48Å
4S51.9Low48.3Very low117 Ų117135.5 Ų135.582%0.81885%0.847SS**  trans-75.6104.6167.652.40000108.8G6S4-G6 PolarHBondContact O-N 2.82Å
5G45.7Very low48.7Very low75 Ų75138.9 Ų138.977%0.77385%0.848SS**PPolyproline II helixtrans-65.1120.7172.200000111.1E3E3-G5 PolarHBondContact O-N 3.48Å
6G49.8Very low49.2Very low71 Ų71139.1 Ų139.173%0.73284%0.841SS**PPolyproline II helixtrans-78.1123.6170.300000110.7S4 V8S4-G6 PolarHBondContact O-N 2.82Å; G6-V8 PolarHBondContact O-N 3.14Å
7E47.8Very low49.6Very low197 Ų197136.5 Ų136.592%0.92183%0.828SS**PPolyproline II helixtrans-66.8118.6171.3-71179.1153.900110.3S9E7-S9 PolarHBondContact O-N 3.26Å
8V52.2Low50.5Low138 Ų138133.5 Ų133.584%0.83682%0.82SS**  trans-79.8109.5168.8176.80000107.4G6 T10G6-V8 PolarHBondContact O-N 3.14Å; V8-T10 PolarHBondContact O-N 3.03Å; V8-T10 VanDerWaalsContact O-N 3.12Å
9S45.5Very low51.9Low110 Ų110134.8 Ų134.877%0.76981%0.813SS**  trans-64.9107.9173.144.70000110.4E7 S11E7-S9 PolarHBondContact O-N 3.26Å; S9-S11 PolarHBondContact O-N 3.26Å; S9-S11 VanDerWaalsContact O-N 3.09Å
10T44.2Very low53.4Low136 Ų136130.7 Ų130.783%0.83478%0.782SS**  trans-60.4108.4163.434.10000108.5V8 S12V8-T10 PolarHBondContact O-N 3.03Å; V8-T10 VanDerWaalsContact O-N 3.12Å; T10-S12 PolarHBondContact O-N 3.23Å
11S48.9Very low54.7Low114 Ų114130 Ų13080%0.79778%0.779SS**  trans-55.7127.6169.427.20000109S9 E13S9-S11 PolarHBondContact O-N 3.26Å; S9-S11 VanDerWaalsContact O-N 3.09Å; S11-E13 PolarHBondContact O-N 3.29Å
12S46.8Very low56.4Low110 Ų110121.4 Ų121.477%0.76974%0.738SS**  trans-47.8127.8173.638.70000111.2T10 A14T10-S12 PolarHBondContact O-N 3.23Å; S12-A14 VanDerWaalsContact C-N 3.34Å; S12-A14 PolarHBondContact O-N 3.31Å
13E48.6Very low58.2Low193 Ų193124.6 Ų124.690%0.90273%0.729SS**  trans-55.699.8163.8-86.7172.2139.100108.2S11 E15S11-E13 PolarHBondContact O-N 3.29Å; E13-E15 PolarHBondContact O-N 2.9Å
14A51.6Low60.2Low86 Ų86117 Ų11771%0.71169%0.693SS**  trans-59.4110.5169.700000107.4S12 I16S12-A14 VanDerWaalsContact C-N 3.34Å; S12-A14 PolarHBondContact O-N 3.31Å; A14-I16 PolarHBondContact O-N 2.93Å
15E53.3Low62.2Low186 Ų186115 Ų11587%0.86967%0.667SS**  trans-47.3107.4174.5-68.1-175.4169.200108.9E13 P17E13-E15 PolarHBondContact O-N 2.9Å; E15-P17 WeakPolarHBondContact O-CD 3.47Å
16I57.4Low64.6Low143 Ų143111.5 Ų111.573%0.73363%0.631SS**  trans-60.3116.9179.4-58.6169.6000105.8A14 A18A14-I16 PolarHBondContact O-N 2.93Å; I16-A18 VanDerWaalsContact C-N 3.34Å; I16-A18 PolarHBondContact O-N 3.35Å
17P56.5Low66.9Low94 Ų94108.1 Ų108.161%0.6160%0.596SS**  trans-65.599.9-178.924.7-31.8000108.1E15 K19E15-P17 WeakPolarHBondContact O-CD 3.47Å; P17-K19 PolarHBondContact O-N 3.45Å
18A65.5Low69.3Low83 Ų8398.7 Ų98.769%0.68655%0.552SS**  trans-63.1-8.7176.800000112.1I16 W20 N158I16-A18 VanDerWaalsContact C-N 3.34Å; I16-A18 PolarHBondContact O-N 3.35Å; A18-W20 PolarHBondContact O-N 2.99Å; A18-N158 WeakPolarHBondContact CA-ND2 3.45Å; A18-N158 PolarHBondContact O-ND2 3.35Å; A18-N158 VanDerWaalsContact O-ND2 3.12Å
19K77.1Confident71.4Confident159 Ų15992.2 Ų92.269%0.69151%0.513SS*.SBendtrans-74.6120.5-176-163.2171.7-175.9176.10111.5P17 T21P17-K19 PolarHBondContact O-N 3.45Å; K19-T21 PolarHBondContact O-N 3.31Å
20W82.5Confident73.8Confident52 Ų5287.1 Ų87.120%0.19748%0.477CS..  trans-62.597.8167.3176.138.2000110.8A18 N22 R23 N158 H159 P160A18-W20 PolarHBondContact O-N 2.99Å; W20-N22 PolarHBondContact NE1-O 2.95Å; W20-R23 HydrophobicContact CD2-CG 3.87Å; W20-R23 HydrophobicContact CE3-CG 4.06Å; W20-R23 HydrophobicContact CH2-CB 4.17Å; W20-R23 HydrophobicContact CH2-CG 3.98Å; W20-R23 HydrophobicContact CZ2-CB 3.82Å; W20-R23 HydrophobicContact CZ2-CG 3.78Å; W20-R23 HydrophobicContact CZ3-CG 4.12Å; W20-N158 HydrophobicContact CB-CB 4.46Å; W20-H159 AromaticContact CZ2-CD2 3.8Å; W20-P160 HydrophobicContact CE3-CG 4.09Å; W20-P160 HydrophobicContact CH2-CG 4.5Å; W20-P160 HydrophobicContact CZ3-CG 4.01Å
21T80.9Confident76.2Confident116 Ų11680.7 Ų80.771%0.71244%0.438SS*.  trans-84.9-48-177.652.60000112.3K19 R23K19-T21 PolarHBondContact O-N 3.31Å; T21-R23 PolarHBondContact O-N 3.05Å
22N83.4Confident78.4Confident70 Ų7081.1 Ų81.137%0.37442%0.422SS..  trans-86.991.4-176.5-175-1.5000111.6W20 E24 P156W20-N22 PolarHBondContact NE1-O 2.95Å; N22-E24 PolarHBondContact O-N 2.83Å; N22-E24 VanDerWaalsContact OD1-CB 3.24Å; N22-E24 WeakPolarHBondContact OD1-CB 3.35Å; N22-E24 WeakPolarHBondContact OD1-CG 3.36Å; N22-E24 PolarHBondContact OD1-N 3.24Å; N22-P156 HydrophobicContact CB-CB 4.19Å; N22-P156 WeakPolarHBondContact O-CB 3.38Å; N22-P156 VanDerWaalsContact O-CG 3.31Å; N22-P156 WeakPolarHBondContact O-CG 3.48Å
23R85.6Confident80.5Confident168 Ų16877.5 Ų77.563%0.63440%0.401SS*.  trans-85.823.7-179.9-58-172.8177.8175.7-3.1114.2W20 T21W20-R23 HydrophobicContact CD2-CG 3.87Å; W20-R23 HydrophobicContact CE3-CG 4.06Å; W20-R23 HydrophobicContact CH2-CB 4.17Å; W20-R23 HydrophobicContact CH2-CG 3.98Å; W20-R23 HydrophobicContact CZ2-CB 3.82Å; W20-R23 HydrophobicContact CZ2-CG 3.78Å; W20-R23 HydrophobicContact CZ3-CG 4.12Å; T21-R23 PolarHBondContact O-N 3.05Å
24E89.4Confident82.7Confident39 Ų3969 Ų6918%0.18236%0.363CS..  trans-70.4143.8-179.8-69-167.3176.800112.7N22 R77 K78N22-E24 PolarHBondContact O-N 2.83Å; N22-E24 VanDerWaalsContact OD1-CB 3.24Å; N22-E24 WeakPolarHBondContact OD1-CB 3.35Å; N22-E24 WeakPolarHBondContact OD1-CG 3.36Å; N22-E24 PolarHBondContact OD1-N 3.24Å; E24-R77 IonicContact OE1-NH1 3.12Å; E24-R77 PolarHBondContact OE1-NH1 3.47Å; E24-K78 IonicContact OE1-NZ 3.33Å; E24-K78 IonicContact OE2-NZ 2.64Å; E24-K78 PolarHBondContact OE2-NZ 2.87Å
25R94.2Very high84.7Confident75 Ų7567 Ų6728%0.28334%0.344SS..  trans-126.3144.6179.3-64.6177.9-178.2177.83.3109.6C76 R77 K78R25-C76 HydrophobicContact CB-CB 4.48Å; R25-R77 PolarHBondContact O-N 2.71Å; R25-K78 PolarHBondContact O-N 2.63Å
26V96.5Very high86.6Confident1 Ų164.5 Ų64.51%0.00633%0.33CS..EExtended strand (participates in β ladder)trans-108.1125.4176.8-173.30000109.4I28 H51 A52 R53 K78 I80 T152V26-I28 HydrophobicContact CG1-CD1 4.46Å; V26-I28 HydrophobicContact CG1-CG1 3.97Å; V26-H51 PolarHBondContact N-O 3.41Å; V26-A52 CarbonylContact O-C 3.31Å; V26-A52 VanDerWaalsContact O-CA 3.28Å; V26-A52 WeakPolarHBondContact O-CA 3.37Å; V26-R53 PolarHBondContact O-N 3.38Å; V26-K78 CarbonylContact C-O 3.6Å; V26-K78 WeakPolarHBondContact CA-O 3.34Å; V26-K78 HydrophobicContact CB-CB 4.29Å; V26-K78 HydrophobicContact CG1-CB 4.2Å; V26-K78 HydrophobicContact CG2-CB 3.84Å; V26-K78 HydrophobicContact CG2-CG 4.46Å; V26-I80 HydrophobicContact CG1-CD1 4.11Å; V26-I80 HydrophobicContact CG1-CG1 3.9Å; V26-T152 HydrophobicContact CG1-CG2 3.97Å; V26-T152 HydrophobicContact CG2-CG2 4.19Å
27L97.3Very high88.4Confident0 Ų062.2 Ų62.20%031%0.312CS..EExtended strand (participates in β ladder)trans-83.1127.1170.4-169.668.6000109.4F29 R53 E55 I70 C71 K74 C76 K78 C79 I80L27-F29 HydrophobicContact CD2-CD1 3.83Å; L27-F29 HydrophobicContact CD2-CE1 3.6Å; L27-F29 HydrophobicContact CG-CD1 3.84Å; L27-F29 HydrophobicContact CG-CE1 4.09Å; L27-R53 HydrophobicContact CD1-CB 4.44Å; L27-E55 HydrophobicContact CD1-CB 4.08Å; L27-I70 HydrophobicContact CD2-CB 4.46Å; L27-I70 HydrophobicContact CD2-CG2 3.68Å; L27-C71 WeakPolarHBondContact CD2-SG 3.31Å; L27-K74 HydrophobicContact CD1-CB 4.29Å; L27-K74 HydrophobicContact CD1-CG 4.24Å; L27-C76 HydrophobicContact CB-CB 3.83Å; L27-K78 PolarHBondContact N-O 3.05Å; L27-C79 HydrophobicContact CB-CB 4.48Å; L27-C79 CarbonylContact O-C 3.55Å; L27-C79 WeakPolarHBondContact O-CA 3.47Å; L27-I80 PolarHBondContact O-N 3.44Å
28I97.4Very high90.2Very high0 Ų057.8 Ų57.80%028%0.284CS..EExtended strand (participates in β ladder)trans-127.5119.6177.5-50.1-177.4000109.4V26 M42 I46 M49 A52 R53 I80 F82V26-I28 HydrophobicContact CG1-CD1 4.46Å; V26-I28 HydrophobicContact CG1-CG1 3.97Å; I28-M42 HydrophobicContact CG2-CG 3.72Å; I28-I46 HydrophobicContact CB-CG1 4.1Å; I28-I46 HydrophobicContact CD1-CG1 4.18Å; I28-I46 HydrophobicContact CG2-CD1 4.43Å; I28-I46 HydrophobicContact CG2-CG1 4.17Å; I28-M49 HydrophobicContact CD1-CE 3.32Å; I28-A52 HydrophobicContact CD1-CB 3.66Å; I28-A52 HydrophobicContact CG1-CB 4.18Å; I28-R53 PolarHBondContact N-O 2.86Å; I28-I80 WeakPolarHBondContact CA-O 3.49Å; I28-I80 HydrophobicContact CD1-CD1 4.12Å; I28-I80 HydrophobicContact CG1-CB 4.21Å; I28-I80 HydrophobicContact CG1-CD1 4.26Å; I28-I80 HydrophobicContact CG1-CG1 4.49Å; I28-I80 HydrophobicContact CG2-CB 4.4Å; I28-F82 HydrophobicContact CG2-CD2 4.45Å; I28-F82 HydrophobicContact CG2-CE2 4.09Å
29F96.4Very high91.6Very high2 Ų258.5 Ų58.51%0.00927%0.269CS..EExtended strand (participates in β ladder)trans-157174.6177.269-73.2000111.3L27 E55 M58 I67 I80 Y81 F82L27-F29 HydrophobicContact CD2-CD1 3.83Å; L27-F29 HydrophobicContact CD2-CE1 3.6Å; L27-F29 HydrophobicContact CG-CD1 3.84Å; L27-F29 HydrophobicContact CG-CE1 4.09Å; F29-E55 HydrophobicContact CB-CB 3.97Å; F29-E55 HydrophobicContact CD1-CB 4.49Å; F29-E55 HydrophobicContact CG-CB 4.19Å; F29-M58 HydrophobicContact CD2-CB 4.21Å; F29-M58 HydrophobicContact CE2-CB 3.75Å; F29-M58 HydrophobicContact CE2-CE 4.44Å; F29-M58 HydrophobicContact CE2-SD 4.32Å; F29-I67 HydrophobicContact CE1-CG2 3.92Å; F29-I67 HydrophobicContact CZ-CB 4.34Å; F29-I67 HydrophobicContact CZ-CD1 3.89Å; F29-I67 HydrophobicContact CZ-CG1 3.83Å; F29-I67 HydrophobicContact CZ-CG2 3.71Å; F29-I80 PolarHBondContact N-O 2.99Å; F29-Y81 AromaticContact CD2-CD2 3.74Å; F29-Y81 HydrophobicContact CD2-CD2 3.74Å; F29-Y81 HydrophobicContact CD2-CE2 4Å; F29-Y81 HydrophobicContact CE1-CD2 4.14Å; F29-Y81 AromaticContact CE2-CD2 3.27Å; F29-Y81 HydrophobicContact CE2-CD2 3.27Å; F29-Y81 AromaticContact CE2-CE2 3.52Å; F29-Y81 HydrophobicContact CE2-CE2 3.52Å; F29-Y81 HydrophobicContact CE2-CG 4.25Å; F29-Y81 HydrophobicContact CG-CD2 4.32Å; F29-Y81 AromaticContact CZ-CD2 3.5Å; F29-Y81 HydrophobicContact CZ-CD2 3.5Å; F29-Y81 HydrophobicContact CZ-CE2 4.14Å; F29-Y81 HydrophobicContact CZ-CG 4.07Å; F29-F82 PolarHBondContact O-N 3.21Å
30C95.9Very high92.5Very high3 Ų352.9 Ų52.92%0.0225%0.245CC..EExtended strand (participates in β ladder)trans-132.9155.9-176.462.70000112.8T34 M42 K57 M58 F82C30-T34 HydrophobicContact CB-CG2 3.81Å; C30-T34 PolarHBondContact SG-OG1 3.27Å; C30-M42 HydrophobicContact CB-SD 3.98Å; C30-K57 VanDerWaalsContact O-CA 3.28Å; C30-K57 WeakPolarHBondContact O-CA 3.3Å; C30-K57 WeakPolarHBondContact O-CB 3.41Å; C30-M58 PolarHBondContact O-N 3.22Å; C30-F82 CarbonylContact C-O 3.6Å; C30-F82 VanDerWaalsContact CA-O 3.27Å; C30-F82 WeakPolarHBondContact CA-O 3.29Å; C30-F82 HydrophobicContact CB-CB 3.8Å
31S95.4Very high93.1Very high1 Ų150.4 Ų50.41%0.00724%0.235CC..BIsolated β-bridgetrans-66.9154.8169.772.20000110.8T34 Y81 F82 S84S31-T34 PolarHBondContact O-OG1 3.41Å; S31-Y81 VanDerWaalsContact CB-OH 3.27Å; S31-Y81 WeakPolarHBondContact CB-OH 3.34Å; S31-F82 PolarHBondContact N-O 2.97Å; S31-F82 PolarHBondContact OG-O 3.46Å; S31-S84 PolarHBondContact OG-N 3.44Å
32R94.1Very high93.8Very high123 Ų12346.3 Ų46.346%0.46421%0.208SC..THydrogen-bonded Turntrans-58144.3170.4-67.7-168.8-172.9162.6-1.3112.7K57 M58 D59 K60R32-K57 HydrophobicContact CG-CB 3.85Å; R32-K57 PolarHBondContact NE-O 3.34Å; R32-M58 WeakPolarHBondContact CG-O 3.24Å; R32-M58 PolarHBondContact N-O 2.87Å; R32-D59 WeakPolarHBondContact CD-OD1 3.26Å; R32-D59 IonicContact CZ-OD1 3.98Å; R32-D59 IonicContact CZ-OD2 2.61Å; R32-D59 IonicContact NE-OD1 2.85Å; R32-D59 PolarHBondContact NE-OD1 3.18Å; R32-D59 IonicContact NE-OD2 3.23Å; R32-D59 IonicContact NH1-OD1 3.36Å; R32-D59 PolarHBondContact NH1-OD1 3.32Å; R32-D59 IonicContact NH1-OD2 3.65Å; R32-D59 PolarHBondContact NH1-OD2 2.89Å; R32-D59 IonicContact NH2-OD2 3.56Å; R32-D59 PolarHBondContact NH2-OD2 2.93Å; R32-K60 WeakPolarHBondContact O-CE 3.24Å; R32-K60 PolarHBondContact O-NZ 2.86Å
33G92.5Very high94.4Very high33 Ų3347.1 Ų47.134%0.3421%0.212SC..THydrogen-bonded Turntrans81.618.3178.800000115.6S84G33-S84 PolarHBondContact O-OG 2.99Å
34T93.4Very high94.8Very high15 Ų1539.6 Ų39.69%0.09218%0.184CC..  trans-56.5139.9164.45.30000111.4C30 S31 D38 L90C30-T34 HydrophobicContact CB-CG2 3.81Å; C30-T34 PolarHBondContact SG-OG1 3.27Å; S31-T34 PolarHBondContact O-OG1 3.41Å; T34-D38 HydrophobicContact CG2-CB 4Å; T34-L90 HydrophobicContact CG2-CD1 4.36Å
35S93.8Very high95.1Very high44 Ų4438 Ų3831%0.30818%0.177SC..  trans-65.6160.4175.5-171.20000111.1R37 D38 R39S35-R37 PolarHBondContact O-N 3.49Å; S35-D38 WeakPolarHBondContact CB-OD2 3.25Å; S35-D38 PolarHBondContact O-N 3.48Å; S35-R39 WeakPolarHBondContact O-CG 3.45Å; S35-R39 PolarHBondContact O-N 3.32Å
36F94Very high95.1Very high134 Ų13436.3 Ų36.359%0.58817%0.173SC*.Hα-helixtrans-54.9-51.9175.7175.4-97.9000111.5D38 R39 H40F36-D38 VanDerWaalsContact C-N 3.32Å; F36-D38 PolarHBondContact O-N 2.96Å; F36-R39 WeakPolarHBondContact O-CB 3.42Å; F36-R39 PolarHBondContact O-N 3.38Å; F36-R39 VanDerWaalsContact O-N 3.1Å; F36-H40 AromaticContact CD1-CD2 3.91Å; F36-H40 AromaticContact CE1-CD2 3.52Å; F36-H40 AromaticContact CE1-NE2 3.61Å; F36-H40 AromaticContact CE2-CD2 3.64Å; F36-H40 AromaticContact CE2-NE2 3.2Å; F36-H40 WeakPolarHBondContact CE2-NE2 3.5Å; F36-H40 AromaticContact CZ-CD2 3.39Å; F36-H40 WeakPolarHBondContact CZ-CD2 3.38Å; F36-H40 AromaticContact CZ-CE1 3.99Å; F36-H40 AromaticContact CZ-NE2 2.97Å; F36-H40 WeakPolarHBondContact CZ-NE2 3.3Å; F36-H40 PolarHBondContact O-CD2 3.48Å; F36-H40 PolarHBondContact O-N 3.37Å; F36-H40 VanDerWaalsContact O-N 3.08Å
37R93.9Very high95Very high94 Ų9437.5 Ų37.536%0.35518%0.181SC..Hα-helixtrans-56.9-43.3178.1-176.3-166.661.3152.2-0.6112.8S35 R39 H40 L41 V110 T112S35-R37 PolarHBondContact O-N 3.49Å; R37-R39 VanDerWaalsContact C-N 3.3Å; R37-R39 PolarHBondContact O-N 2.9Å; R37-H40 PolarHBondContact O-N 3.02Å; R37-L41 PolarHBondContact O-N 3.46Å; R37-V110 HydrophobicContact CG-CG1 4.24Å; R37-V110 PolarHBondContact NH1-O 3.1Å; R37-T112 HydrophobicContact CG-CG2 4.13Å
38D95Very high94.8Very high2 Ų238.1 Ų38.11%0.01119%0.185CC..Hα-helixtrans-69.8-29.8-179.1-50.6-20.4000111.7T34 S35 F36 M42 L90T34-D38 HydrophobicContact CG2-CB 4Å; S35-D38 WeakPolarHBondContact CB-OD2 3.25Å; S35-D38 PolarHBondContact O-N 3.48Å; F36-D38 VanDerWaalsContact C-N 3.32Å; F36-D38 PolarHBondContact O-N 2.96Å; D38-M42 PolarHBondContact O-N 2.92Å; D38-L90 HydrophobicContact CB-CD1 4.18Å; D38-L90 HydrophobicContact CB-CD2 3.95Å
39R94.8Very high94.6Very high97 Ų9738.3 Ų38.337%0.36619%0.186SC..Hα-helixtrans-67.6-40.3171.2-71.1-171.5-65.8161.2-5.6111.7S35 F36 R37 M42 I43S35-R39 WeakPolarHBondContact O-CG 3.45Å; S35-R39 PolarHBondContact O-N 3.32Å; F36-R39 WeakPolarHBondContact O-CB 3.42Å; F36-R39 PolarHBondContact O-N 3.38Å; F36-R39 VanDerWaalsContact O-N 3.1Å; R37-R39 VanDerWaalsContact C-N 3.3Å; R37-R39 PolarHBondContact O-N 2.9Å; R39-M42 WeakPolarHBondContact O-CB 3.47Å; R39-M42 PolarHBondContact O-N 3.47Å; R39-I43 WeakPolarHBondContact O-CG1 3.47Å; R39-I43 PolarHBondContact O-N 3.34Å
40H95.7Very high94.5Very high41 Ų4138.8 Ų38.819%0.1919%0.189CC..Hα-helixtrans-63.1-44.4174.7-85.4-87.3000111.4F36 R37 M42 I43 D44 T112F36-H40 AromaticContact CD1-CD2 3.91Å; F36-H40 AromaticContact CE1-CD2 3.52Å; F36-H40 AromaticContact CE1-NE2 3.61Å; F36-H40 AromaticContact CE2-CD2 3.64Å; F36-H40 AromaticContact CE2-NE2 3.2Å; F36-H40 WeakPolarHBondContact CE2-NE2 3.5Å; F36-H40 AromaticContact CZ-CD2 3.39Å; F36-H40 WeakPolarHBondContact CZ-CD2 3.38Å; F36-H40 AromaticContact CZ-CE1 3.99Å; F36-H40 AromaticContact CZ-NE2 2.97Å; F36-H40 WeakPolarHBondContact CZ-NE2 3.3Å; F36-H40 PolarHBondContact O-CD2 3.48Å; F36-H40 PolarHBondContact O-N 3.37Å; F36-H40 VanDerWaalsContact O-N 3.08Å; R37-H40 PolarHBondContact O-N 3.02Å; H40-M42 VanDerWaalsContact C-N 3.26Å; H40-M42 PolarHBondContact O-N 3.4Å; H40-I43 PolarHBondContact O-N 2.91Å; H40-D44 PolarHBondContact O-N 2.87Å; H40-T112 HydrophobicContact CB-CG2 3.59Å
41L95.7Very high94.4Very high0 Ų038.8 Ų38.80%019%0.189CC..Hα-helixtrans-52.7-44.9172.6175.267.1000112.1R37 D44 L45 F82 L90 V107 V110 P199 M201R37-L41 PolarHBondContact O-N 3.46Å; L41-D44 PolarHBondContact O-N 3.05Å; L41-L45 WeakPolarHBondContact O-CG 3.48Å; L41-L45 PolarHBondContact O-N 2.93Å; L41-F82 HydrophobicContact CD2-CE1 4.25Å; L41-F82 HydrophobicContact CD2-CZ 4.45Å; L41-L90 HydrophobicContact CD2-CD2 4.08Å; L41-V107 HydrophobicContact CD2-CG1 4.47Å; L41-V110 HydrophobicContact CB-CG1 3.9Å; L41-V110 HydrophobicContact CD1-CG1 4.18Å; L41-V110 HydrophobicContact CD2-CG1 3.76Å; L41-V110 HydrophobicContact CD2-CG2 3.96Å; L41-V110 HydrophobicContact CG-CG1 4.15Å; L41-P199 HydrophobicContact CD1-CB 3.49Å; L41-P199 VanDerWaalsContact CD1-CB 3.49Å; L41-P199 HydrophobicContact CD1-CG 3.82Å; L41-M201 HydrophobicContact CD1-SD 4.13Å; L41-M201 HydrophobicContact CD2-SD 4.16Å
42M95.3Very high94.4Very high30 Ų3039 Ų3915%0.14819%0.191CC..Hα-helixtrans-61.4-45177.1-173.9-166.474.200111.6I28 C30 D38 R39 H40 L45 I46 F82I28-M42 HydrophobicContact CG2-CG 3.72Å; C30-M42 HydrophobicContact CB-SD 3.98Å; D38-M42 PolarHBondContact O-N 2.92Å; R39-M42 WeakPolarHBondContact O-CB 3.47Å; R39-M42 PolarHBondContact O-N 3.47Å; H40-M42 VanDerWaalsContact C-N 3.26Å; H40-M42 PolarHBondContact O-N 3.4Å; M42-L45 PolarHBondContact O-N 3.3Å; M42-I46 HydrophobicContact CE-CD1 4.1Å; M42-I46 HydrophobicContact CG-CD1 3.91Å; M42-I46 VanDerWaalsContact O-CD1 3.26Å; M42-I46 WeakPolarHBondContact O-CD1 3.42Å; M42-I46 WeakPolarHBondContact O-CG1 3.38Å; M42-I46 PolarHBondContact O-N 2.99Å; M42-F82 HydrophobicContact CB-CD2 4.22Å; M42-F82 HydrophobicContact CB-CE2 4.23Å; M42-F82 HydrophobicContact CG-CD2 4.06Å; M42-F82 HydrophobicContact CG-CE2 4.19Å
43I95.5Very high94.5Very high87 Ų8737.2 Ų37.245%0.44618%0.184SC..Hα-helixtrans-63.4-42.6178.1-67164.7000110.9R39 H40 L45 I46 S47R39-I43 WeakPolarHBondContact O-CG1 3.47Å; R39-I43 PolarHBondContact O-N 3.34Å; H40-I43 PolarHBondContact O-N 2.91Å; I43-L45 PolarHBondContact O-N 3.35Å; I43-I46 PolarHBondContact O-N 3.47Å; I43-S47 PolarHBondContact O-N 3.32Å
44D95.3Very high94.6Very high11 Ų1139.6 Ų39.66%0.05919%0.192CC..Hα-helixtrans-58.9-47.4177.6-64.2-7.7000110H40 L41 I46 S47 L48 T112 M113 P199H40-D44 PolarHBondContact O-N 2.87Å; L41-D44 PolarHBondContact O-N 3.05Å; D44-I46 PolarHBondContact O-N 3.43Å; D44-S47 WeakPolarHBondContact O-CB 3.46Å; D44-S47 PolarHBondContact O-N 2.95Å; D44-S47 VanDerWaalsContact O-N 3.11Å; D44-S47 PolarHBondContact O-OG 2.96Å; D44-L48 WeakPolarHBondContact O-CG 3.39Å; D44-L48 PolarHBondContact O-N 2.9Å; D44-L48 VanDerWaalsContact O-N 3.09Å; D44-T112 WeakPolarHBondContact OD2-CA 3.41Å; D44-T112 WeakPolarHBondContact OD2-CB 3.34Å; D44-M113 HydrophobicContact CB-CE 4.15Å; D44-M113 HydrophobicContact CB-CG 4.03Å; D44-M113 HydrophobicContact CB-SD 3.82Å; D44-M113 PolarHBondContact OD2-N 3.19Å; D44-P199 HydrophobicContact CB-CB 4.35Å; D44-P199 HydrophobicContact CB-CG 4.09Å
45L95Very high94.7Very high4 Ų441.3 Ų41.32%0.02120%0.199CC..Hα-helixtrans-62.4-40.4175.6-70.3179.9000113.2L41 M42 I43 S47 L48 M49 F82 F153 P199 M201L41-L45 WeakPolarHBondContact O-CG 3.48Å; L41-L45 PolarHBondContact O-N 2.93Å; M42-L45 PolarHBondContact O-N 3.3Å; I43-L45 PolarHBondContact O-N 3.35Å; L45-S47 PolarHBondContact O-N 3.29Å; L45-L48 PolarHBondContact O-N 3.25Å; L45-M49 HydrophobicContact CB-CE 3.88Å; L45-M49 HydrophobicContact CD2-CE 4.48Å; L45-M49 VanDerWaalsContact O-CE 3.3Å; L45-M49 WeakPolarHBondContact O-CE 3.39Å; L45-M49 PolarHBondContact O-N 3.02Å; L45-M49 VanDerWaalsContact O-N 3.12Å; L45-F82 HydrophobicContact CD1-CE2 4.09Å; L45-F82 HydrophobicContact CD1-CZ 3.67Å; L45-F153 HydrophobicContact CD2-CE1 4.09Å; L45-P199 HydrophobicContact CD2-CG 4.2Å; L45-M201 HydrophobicContact CD1-CE 4.41Å; L45-M201 HydrophobicContact CD2-CE 4.33Å
46I95Very high94.8Very high40 Ų4043.3 Ų43.321%0.20521%0.213CC..Hα-helixtrans-64-34175.1-67.4155.3000110.8I28 M42 I43 D44 T54I28-I46 HydrophobicContact CB-CG1 4.1Å; I28-I46 HydrophobicContact CD1-CG1 4.18Å; I28-I46 HydrophobicContact CG2-CD1 4.43Å; I28-I46 HydrophobicContact CG2-CG1 4.17Å; M42-I46 HydrophobicContact CE-CD1 4.1Å; M42-I46 HydrophobicContact CG-CD1 3.91Å; M42-I46 VanDerWaalsContact O-CD1 3.26Å; M42-I46 WeakPolarHBondContact O-CD1 3.42Å; M42-I46 WeakPolarHBondContact O-CG1 3.38Å; M42-I46 PolarHBondContact O-N 2.99Å; I43-I46 PolarHBondContact O-N 3.47Å; D44-I46 PolarHBondContact O-N 3.43Å; I46-T54 HydrophobicContact CD1-CG2 3.39Å; I46-T54 HydrophobicContact CG1-CG2 3.94Å; I46-T54 HydrophobicContact CG2-CG2 3.9Å
47S93Very high94.8Very high26 Ų2640.9 Ų40.918%0.18220%0.202CC..Hα-helixtrans-70.5-37178.884.10000112.6I43 D44 L45 K124 G125I43-S47 PolarHBondContact O-N 3.32Å; D44-S47 WeakPolarHBondContact O-CB 3.46Å; D44-S47 PolarHBondContact O-N 2.95Å; D44-S47 VanDerWaalsContact O-N 3.11Å; D44-S47 PolarHBondContact O-OG 2.96Å; L45-S47 PolarHBondContact O-N 3.29Å; S47-K124 VanDerWaalsContact O-CG 3.26Å; S47-K124 WeakPolarHBondContact O-CG 3.45Å; S47-G125 PolarHBondContact O-N 2.96Å
48L93.4Very high94.8Very high13 Ų1336.9 Ų36.97%0.06819%0.188CC..Hα-helixtrans-72.9-36.5178.5-69.7173.7000112.4D44 L45 P50 M113D44-L48 WeakPolarHBondContact O-CG 3.39Å; D44-L48 PolarHBondContact O-N 2.9Å; D44-L48 VanDerWaalsContact O-N 3.09Å; L45-L48 PolarHBondContact O-N 3.25Å; L48-P50 VanDerWaalsContact O-CD 3.28Å; L48-P50 WeakPolarHBondContact O-CD 3.47Å; L48-M113 HydrophobicContact CD1-CE 3.56Å; L48-M113 HydrophobicContact CD2-CE 3.53Å; L48-M113 HydrophobicContact CG-CE 3.43Å; L48-M113 VanDerWaalsContact CG-CE 3.43Å
49M93.9Very high94.8Very high5 Ų539.5 Ų39.53%0.02520%0.201CC..  trans-101.5100.1-175.5-69.3-178.9-7700111.7I28 L45 H51 A52 I80 F153I28-M49 HydrophobicContact CD1-CE 3.32Å; L45-M49 HydrophobicContact CB-CE 3.88Å; L45-M49 HydrophobicContact CD2-CE 4.48Å; L45-M49 VanDerWaalsContact O-CE 3.3Å; L45-M49 WeakPolarHBondContact O-CE 3.39Å; L45-M49 PolarHBondContact O-N 3.02Å; L45-M49 VanDerWaalsContact O-N 3.12Å; M49-H51 PolarHBondContact O-N 3.21Å; M49-A52 HydrophobicContact CB-CB 3.93Å; M49-A52 WeakPolarHBondContact O-CB 3.4Å; M49-A52 PolarHBondContact O-N 3.27Å; M49-I80 HydrophobicContact CE-CD1 4.13Å; M49-F153 HydrophobicContact CE-CD1 4.24Å; M49-F153 HydrophobicContact CE-CE1 4.28Å; M49-F153 HydrophobicContact SD-CD1 3.91Å; M49-F153 HydrophobicContact SD-CE1 4.49Å
50P93.9Very high94.4Very high12 Ų1240.6 Ų40.68%0.07821%0.209CC..THydrogen-bonded Turntrans-70.6-13.6-17831.6-35000113L48 V155 H159 R161L48-P50 VanDerWaalsContact O-CD 3.28Å; L48-P50 WeakPolarHBondContact O-CD 3.47Å; P50-V155 HydrophobicContact CG-CB 4.49Å; P50-V155 HydrophobicContact CG-CG1 3.44Å; P50-V155 VanDerWaalsContact CG-CG1 3.44Å; P50-V155 HydrophobicContact CG-CG2 4.25Å; P50-H159 PolarHBondContact O-CE1 3.01Å; P50-R161 HydrophobicContact CB-CB 3.87Å; P50-R161 PolarHBondContact O-NE 3.28Å; P50-R161 PolarHBondContact O-NH2 3.17Å
51H94.3Very high94.2Very high3 Ų348.1 Ų48.11%0.01424%0.241CC..THydrogen-bonded Turntrans-88.5-2.1171.758-60.8000112.9V26 M49 T152 S154V26-H51 PolarHBondContact N-O 3.41Å; M49-H51 PolarHBondContact O-N 3.21Å; H51-T152 PolarHBondContact NE2-O 3.01Å; H51-S154 PolarHBondContact CE1-O 2.91Å; H51-S154 PolarHBondContact NE2-O 3.46Å; H51-S154 VanDerWaalsContact NE2-O 3.09Å
52A95.6Very high94Very high6 Ų651.8 Ų51.85%0.0526%0.261CS..EExtended strand (participates in β ladder)trans-71.2142.7175.400000112.2V26 I28 M49 R161V26-A52 CarbonylContact O-C 3.31Å; V26-A52 VanDerWaalsContact O-CA 3.28Å; V26-A52 WeakPolarHBondContact O-CA 3.37Å; I28-A52 HydrophobicContact CD1-CB 3.66Å; I28-A52 HydrophobicContact CG1-CB 4.18Å; M49-A52 HydrophobicContact CB-CB 3.93Å; M49-A52 WeakPolarHBondContact O-CB 3.4Å; M49-A52 PolarHBondContact O-N 3.27Å; A52-R161 PolarHBondContact O-NH2 2.82Å
53R95.3Very high93.8Very high85 Ų8558.2 Ų58.232%0.32129%0.288SS..EExtended strand (participates in β ladder)trans-122.9138.9171.7-64.1-62.9177.2-170.8-2.8109.3V26 L27 I28 R161V26-R53 PolarHBondContact O-N 3.38Å; L27-R53 HydrophobicContact CD1-CB 4.44Å; I28-R53 PolarHBondContact N-O 2.86Å; R53-R161 VanDerWaalsContact CZ-NH2 3.29Å
54T95.6Very high93.7Very high82 Ų8256.5 Ų56.550%0.50328%0.279SS..EExtended strand (participates in β ladder)trans-96.7148179.356.60000110.5I46I46-T54 HydrophobicContact CD1-CG2 3.39Å; I46-T54 HydrophobicContact CG1-CG2 3.94Å; I46-T54 HydrophobicContact CG2-CG2 3.9Å
55E95.3Very high93.5Very high52 Ų5258.8 Ų58.824%0.24330%0.296CS..  trans-125.8161170.6-172.249.1-112.300110.7L27 F29 I70 K74L27-E55 HydrophobicContact CD1-CB 4.08Å; F29-E55 HydrophobicContact CB-CB 3.97Å; F29-E55 HydrophobicContact CD1-CB 4.49Å; F29-E55 HydrophobicContact CG-CB 4.19Å; E55-I70 HydrophobicContact CB-CG2 4.49Å; E55-I70 HydrophobicContact CG-CG2 3.74Å; E55-K74 WeakPolarHBondContact OE2-CE 3.44Å; E55-K74 IonicContact OE2-NZ 3.14Å
56S94.9Very high93.4Very high86 Ų8659.8 Ų59.860%0.60130%0.303SS*.PPolyproline II helixtrans-55.4157.616764.10000112M58S56-M58 PolarHBondContact O-N 3.48Å
57K95.4Very high93.4Very high83 Ų8357.9 Ų57.936%0.36129%0.294SS..PPolyproline II helixtrans-74.5121.4-176.9-62.5179.2-174164.90110.8C30 R32C30-K57 VanDerWaalsContact O-CA 3.28Å; C30-K57 WeakPolarHBondContact O-CA 3.3Å; C30-K57 WeakPolarHBondContact O-CB 3.41Å; R32-K57 HydrophobicContact CG-CB 3.85Å; R32-K57 PolarHBondContact NE-O 3.34Å
58M93.9Very high93.5Very high10 Ų1058.5 Ų58.55%0.04930%0.295CS..BIsolated β-bridgetrans-64.3139175.7172.4172.8-86.400112F29 C30 R32 S56 D62 S66 I67 I70 Y81F29-M58 HydrophobicContact CD2-CB 4.21Å; F29-M58 HydrophobicContact CE2-CB 3.75Å; F29-M58 HydrophobicContact CE2-CE 4.44Å; F29-M58 HydrophobicContact CE2-SD 4.32Å; C30-M58 PolarHBondContact O-N 3.22Å; R32-M58 WeakPolarHBondContact CG-O 3.24Å; R32-M58 PolarHBondContact N-O 2.87Å; S56-M58 PolarHBondContact O-N 3.48Å; M58-D62 HydrophobicContact CE-CB 4.45Å; M58-D62 HydrophobicContact CG-CB 4.11Å; M58-D62 HydrophobicContact SD-CB 4.45Å; M58-S66 WeakPolarHBondContact CE-OG 3.48Å; M58-I67 HydrophobicContact CE-CD1 4.38Å; M58-I67 HydrophobicContact CE-CG1 3.47Å; M58-I67 VanDerWaalsContact CE-CG1 3.47Å; M58-I67 HydrophobicContact SD-CD1 4.07Å; M58-I67 HydrophobicContact SD-CG1 3.81Å; M58-I70 HydrophobicContact CE-CD1 3.65Å; M58-Y81 HydrophobicContact CB-CE2 4.27Å; M58-Y81 HydrophobicContact SD-CE2 4.3Å
59D93.5Very high93.6Very high56 Ų5663.6 Ų63.630%0.29932%0.318SS..PPolyproline II helixtrans-72.2147.7175.7-96.6-46.4000111.9R32 K61 D62R32-D59 WeakPolarHBondContact CD-OD1 3.26Å; R32-D59 IonicContact CZ-OD1 3.98Å; R32-D59 IonicContact CZ-OD2 2.61Å; R32-D59 IonicContact NE-OD1 2.85Å; R32-D59 PolarHBondContact NE-OD1 3.18Å; R32-D59 IonicContact NE-OD2 3.23Å; R32-D59 IonicContact NH1-OD1 3.36Å; R32-D59 PolarHBondContact NH1-OD1 3.32Å; R32-D59 IonicContact NH1-OD2 3.65Å; R32-D59 PolarHBondContact NH1-OD2 2.89Å; R32-D59 IonicContact NH2-OD2 3.56Å; R32-D59 PolarHBondContact NH2-OD2 2.93Å; D59-K61 PolarHBondContact O-N 3.44Å; D59-D62 WeakPolarHBondContact CB-OD2 3.29Å; D59-D62 PolarHBondContact N-OD2 3.44Å; D59-D62 PolarHBondContact O-N 3.23Å
60K88Confident93.7Very high120 Ų12064.8 Ų64.852%0.52232%0.324SS..THydrogen-bonded Turntrans-69.9-14178.1-63.2-168.1-174.4-1630113.6R32 S84R32-K60 WeakPolarHBondContact O-CE 3.24Å; R32-K60 PolarHBondContact O-NZ 2.86Å; K60-S84 PolarHBondContact NZ-O 3.48Å
61K89.8Confident93.8Very high199 Ų19964.2 Ų64.287%0.86532%0.321SS*.THydrogen-bonded Turntrans-82.9-24.7178.5-64.8-177.9-179.4179.50111.5D59D59-K61 PolarHBondContact O-N 3.44Å
62D91.1Very high93.8Very high78 Ų7871.6 Ų71.642%0.41736%0.355SS..SBendtrans-70.5145.7-176-57.5-20.2000110.5M58 D59M58-D62 HydrophobicContact CE-CB 4.45Å; M58-D62 HydrophobicContact CG-CB 4.11Å; M58-D62 HydrophobicContact SD-CB 4.45Å; D59-D62 WeakPolarHBondContact CB-OD2 3.29Å; D59-D62 PolarHBondContact N-OD2 3.44Å; D59-D62 PolarHBondContact O-N 3.23Å
63K92.4Very high93.8Very high164 Ų16478.4 Ų78.471%0.71339%0.388SS*.  trans-72.6138.6175.5-64.8178.8-177.4174.60108.9S65 S66K63-S65 WeakPolarHBondContact CB-OG 3.4Å; K63-S65 PolarHBondContact O-N 3.05Å; K63-S65 VanDerWaalsContact O-N 3.11Å; K63-S66 WeakPolarHBondContact O-CB 3.4Å; K63-S66 PolarHBondContact O-N 3.28Å; K63-S66 PolarHBondContact O-OG 2.93Å
64I92.4Very high93.8Very high51 Ų5178.8 Ų78.826%0.26239%0.392SS..THydrogen-bonded Turntrans-60.6-23.8177.7-60166.6000111.4S66 I67 W93 F213I64-S66 PolarHBondContact O-N 3Å; I64-I67 HydrophobicContact CG2-CD1 3.95Å; I64-I67 WeakPolarHBondContact O-CB 3.5Å; I64-I67 WeakPolarHBondContact O-CG1 3.4Å; I64-I67 PolarHBondContact O-N 3.39Å; I64-W93 HydrophobicContact CD1-CH2 4.24Å; I64-W93 HydrophobicContact CD1-CZ2 3.79Å; I64-F213 HydrophobicContact CG2-CB 3.76Å; I64-F213 HydrophobicContact CG2-CD1 3.27Å; I64-F213 HydrophobicContact CG2-CE1 4.1Å; I64-F213 HydrophobicContact CG2-CG 3.77Å
65S91.6Very high93.8Very high60 Ų6080.4 Ų80.442%0.4240%0.397SS..THydrogen-bonded Turntrans-61.8-27.9173.258.90000114.1K63 I67 N68K63-S65 WeakPolarHBondContact CB-OG 3.4Å; K63-S65 PolarHBondContact O-N 3.05Å; K63-S65 VanDerWaalsContact O-N 3.11Å; S65-I67 PolarHBondContact O-N 3.14Å; S65-I67 VanDerWaalsContact O-N 3.17Å; S65-N68 WeakPolarHBondContact O-CB 3.47Å; S65-N68 PolarHBondContact O-N 3.22Å; S65-N68 VanDerWaalsContact O-N 3.15Å
66S93.7Very high93.7Very high25 Ų2578.2 Ų78.218%0.17539%0.388CS..Hα-helixtrans-65.1-16.5178.163.40000113M58 K63 I64 N68 E69 I70M58-S66 WeakPolarHBondContact CE-OG 3.48Å; K63-S66 WeakPolarHBondContact O-CB 3.4Å; K63-S66 PolarHBondContact O-N 3.28Å; K63-S66 PolarHBondContact O-OG 2.93Å; I64-S66 PolarHBondContact O-N 3Å; S66-N68 PolarHBondContact O-N 2.81Å; S66-E69 WeakPolarHBondContact O-CB 3.4Å; S66-E69 PolarHBondContact O-N 3.41Å; S66-I70 WeakPolarHBondContact O-CG1 3.4Å; S66-I70 PolarHBondContact O-N 3.49Å
67I95.4Very high93.7Very high0 Ų081 Ų810%039%0.385CS..Hα-helixtrans-61.6-31174.9-57.5180000111F29 M58 I64 S65 I70 C71 C79 Y81 F213F29-I67 HydrophobicContact CE1-CG2 3.92Å; F29-I67 HydrophobicContact CZ-CB 4.34Å; F29-I67 HydrophobicContact CZ-CD1 3.89Å; F29-I67 HydrophobicContact CZ-CG1 3.83Å; F29-I67 HydrophobicContact CZ-CG2 3.71Å; M58-I67 HydrophobicContact CE-CD1 4.38Å; M58-I67 HydrophobicContact CE-CG1 3.47Å; M58-I67 VanDerWaalsContact CE-CG1 3.47Å; M58-I67 HydrophobicContact SD-CD1 4.07Å; M58-I67 HydrophobicContact SD-CG1 3.81Å; I64-I67 HydrophobicContact CG2-CD1 3.95Å; I64-I67 WeakPolarHBondContact O-CB 3.5Å; I64-I67 WeakPolarHBondContact O-CG1 3.4Å; I64-I67 PolarHBondContact O-N 3.39Å; S65-I67 PolarHBondContact O-N 3.14Å; S65-I67 VanDerWaalsContact O-N 3.17Å; I67-I70 PolarHBondContact O-N 2.91Å; I67-C71 WeakPolarHBondContact O-CB 3.39Å; I67-C71 PolarHBondContact O-N 2.9Å; I67-C71 PolarHBondContact O-SG 3.17Å; I67-C79 VanDerWaalsContact CG2-SG 3.57Å; I67-Y81 HydrophobicContact CD1-CD1 3.57Å; I67-Y81 HydrophobicContact CD1-CD2 4.19Å; I67-Y81 HydrophobicContact CD1-CE1 3.95Å; I67-Y81 HydrophobicContact CD1-CG 3.68Å; I67-F213 HydrophobicContact CB-CD2 3.88Å; I67-F213 HydrophobicContact CB-CE2 3.72Å; I67-F213 HydrophobicContact CB-CG 4.44Å; I67-F213 HydrophobicContact CB-CZ 4.11Å; I67-F213 HydrophobicContact CD1-CD1 4.11Å; I67-F213 HydrophobicContact CD1-CE1 3.73Å; I67-F213 HydrophobicContact CD1-CE2 4.32Å; I67-F213 HydrophobicContact CD1-CZ 3.86Å; I67-F213 HydrophobicContact CG2-CD2 4.01Å; I67-F213 HydrophobicContact CG2-CE1 4.5Å; I67-F213 HydrophobicContact CG2-CE2 3.31Å; I67-F213 HydrophobicContact CG2-CZ 3.6Å
68N95.2Very high93.8Very high38 Ų3877.6 Ų77.620%0.20337%0.37CS..Hα-helixtrans-61.9-44.4176.6-67.9-27.6000111.4S65 S66 C71 E72 V97 S212 F213S65-N68 WeakPolarHBondContact O-CB 3.47Å; S65-N68 PolarHBondContact O-N 3.22Å; S65-N68 VanDerWaalsContact O-N 3.15Å; S66-N68 PolarHBondContact O-N 2.81Å; N68-C71 WeakPolarHBondContact O-CB 3.46Å; N68-C71 PolarHBondContact O-N 3.47Å; N68-E72 PolarHBondContact O-N 2.93Å; N68-V97 HydrophobicContact CB-CG1 4.3Å; N68-S212 PolarHBondContact ND2-O 3.21Å; N68-S212 VanDerWaalsContact ND2-O 3.16Å; N68-S212 WeakPolarHBondContact OD1-CB 3.43Å; N68-S212 PolarHBondContact OD1-OG 2.98Å; N68-F213 WeakPolarHBondContact OD1-CD2 3.33Å
69E94.9Very high93.9Very high121 Ų12177.1 Ų77.157%0.56537%0.368SS*.Hα-helixtrans-64-42.6177.8-62.6165.6-151.600111.1S66 C71 E72 M73S66-E69 WeakPolarHBondContact O-CB 3.4Å; S66-E69 PolarHBondContact O-N 3.41Å; E69-C71 VanDerWaalsContact C-N 3.32Å; E69-C71 PolarHBondContact O-N 3.12Å; E69-E72 PolarHBondContact O-N 3.03Å; E69-M73 WeakPolarHBondContact O-CG 3.43Å; E69-M73 PolarHBondContact O-N 2.9Å
70I95.7Very high94.1Very high29 Ų2974.4 Ų74.415%0.14935%0.353CS..Hα-helixtrans-61.2-43.1176-61.7172.1000111.1L27 E55 M58 S66 I67 E72 M73 K74L27-I70 HydrophobicContact CD2-CB 4.46Å; L27-I70 HydrophobicContact CD2-CG2 3.68Å; E55-I70 HydrophobicContact CB-CG2 4.49Å; E55-I70 HydrophobicContact CG-CG2 3.74Å; M58-I70 HydrophobicContact CE-CD1 3.65Å; S66-I70 WeakPolarHBondContact O-CG1 3.4Å; S66-I70 PolarHBondContact O-N 3.49Å; I67-I70 PolarHBondContact O-N 2.91Å; I70-E72 VanDerWaalsContact C-N 3.33Å; I70-M73 HydrophobicContact CB-CE 4.46Å; I70-M73 HydrophobicContact CG1-CE 4.22Å; I70-M73 PolarHBondContact O-N 3.3Å; I70-K74 PolarHBondContact O-N 3.2Å
71C95.9Very high94.6Very high0 Ų069.1 Ų69.10%033%0.33CS..Hα-helixtrans-64.4-38.8177.2-70.50000111.8L27 I67 N68 E69 K74 N75 C76 V97L27-C71 WeakPolarHBondContact CD2-SG 3.31Å; I67-C71 WeakPolarHBondContact O-CB 3.39Å; I67-C71 PolarHBondContact O-N 2.9Å; I67-C71 PolarHBondContact O-SG 3.17Å; N68-C71 WeakPolarHBondContact O-CB 3.46Å; N68-C71 PolarHBondContact O-N 3.47Å; E69-C71 VanDerWaalsContact C-N 3.32Å; E69-C71 PolarHBondContact O-N 3.12Å; C71-K74 CarbonylContact O-C 3.59Å; C71-K74 PolarHBondContact O-N 3.09Å; C71-N75 WeakPolarHBondContact O-CA 3.36Å; C71-N75 PolarHBondContact O-N 3.06Å; C71-C76 PolarHBondContact O-N 2.96Å; C71-V97 HydrophobicContact CB-CB 4.16Å; C71-V97 HydrophobicContact CB-CG1 3.78Å; C71-V97 HydrophobicContact CB-CG2 4.11Å
72E95.1Very high94.9Very high159 Ų15959.7 Ų59.774%0.74329%0.289SS*.Hα-helixtrans-64.4-49.2175.7-173170.8-17300111.5N68 E69 I70 K74 N75N68-E72 PolarHBondContact O-N 2.93Å; E69-E72 PolarHBondContact O-N 3.03Å; I70-E72 VanDerWaalsContact C-N 3.33Å; E72-K74 VanDerWaalsContact C-N 3.27Å; E72-K74 PolarHBondContact O-N 3.41Å; E72-N75 PolarHBondContact O-N 3.37Å
73M95.5Very high95.1Very high149 Ų14957 Ų5773%0.73427%0.274SS*.Hα-helixtrans-57.7-37.4176.2-70.2-169.5-62.700112.9E69 I70E69-M73 WeakPolarHBondContact O-CG 3.43Å; E69-M73 PolarHBondContact O-N 2.9Å; I70-M73 HydrophobicContact CB-CE 4.46Å; I70-M73 HydrophobicContact CG1-CE 4.22Å; I70-M73 PolarHBondContact O-N 3.3Å
74K94.4Very high95.2Very high93 Ų9349.2 Ų49.240%0.40424%0.241SC..THydrogen-bonded Turntrans-88.80.2178-67.5-61.8-168.9-174.60114L27 E55 I70 C71 E72 C76L27-K74 HydrophobicContact CD1-CB 4.29Å; L27-K74 HydrophobicContact CD1-CG 4.24Å; E55-K74 WeakPolarHBondContact OE2-CE 3.44Å; E55-K74 IonicContact OE2-NZ 3.14Å; I70-K74 PolarHBondContact O-N 3.2Å; C71-K74 CarbonylContact O-C 3.59Å; C71-K74 PolarHBondContact O-N 3.09Å; E72-K74 VanDerWaalsContact C-N 3.27Å; E72-K74 PolarHBondContact O-N 3.41Å; K74-C76 VanDerWaalsContact C-N 3.31Å; K74-C76 PolarHBondContact O-N 3.46Å
75N94.9Very high95.3Very high115 Ų11552 Ų5262%0.61525%0.248SC*.THydrogen-bonded Turntrans50.249.1-175-164.924.1000112.6C71 E72C71-N75 WeakPolarHBondContact O-CA 3.36Å; C71-N75 PolarHBondContact O-N 3.06Å; E72-N75 PolarHBondContact O-N 3.37Å
76C95.1Very high95.3Very high6 Ų655.7 Ų55.74%0.04126%0.256CS..  trans-107.7125.6177-66.10000109.7R25 L27 C71 K74R25-C76 HydrophobicContact CB-CB 4.48Å; L27-C76 HydrophobicContact CB-CB 3.83Å; C71-C76 PolarHBondContact O-N 2.96Å; K74-C76 VanDerWaalsContact C-N 3.31Å; K74-C76 PolarHBondContact O-N 3.46Å
77R94.9Very high95.1Very high146 Ų14662.1 Ų62.155%0.55128%0.281SS*.SBendtrans-88.3-14.9178.1-67-166.6-179.1175.2-6.5113.2E24 R25 V97E24-R77 IonicContact OE1-NH1 3.12Å; E24-R77 PolarHBondContact OE1-NH1 3.47Å; R25-R77 PolarHBondContact O-N 2.71Å; R77-V97 PolarHBondContact O-N 3.18Å
78K96.4Very high94.9Very high10 Ų1069.2 Ų69.24%0.04331%0.312CS..EExtended strand (participates in β ladder)trans-127.4147.1-177.6-57.3-62.8-163.3-80.80108.8E24 R25 V26 L27 A95 N96E24-K78 IonicContact OE1-NZ 3.33Å; E24-K78 IonicContact OE2-NZ 2.64Å; E24-K78 PolarHBondContact OE2-NZ 2.87Å; R25-K78 PolarHBondContact O-N 2.63Å; V26-K78 CarbonylContact C-O 3.6Å; V26-K78 WeakPolarHBondContact CA-O 3.34Å; V26-K78 HydrophobicContact CB-CB 4.29Å; V26-K78 HydrophobicContact CG1-CB 4.2Å; V26-K78 HydrophobicContact CG2-CB 3.84Å; V26-K78 HydrophobicContact CG2-CG 4.46Å; L27-K78 PolarHBondContact N-O 3.05Å; K78-A95 CarbonylContact C-O 3.54Å; K78-A95 WeakPolarHBondContact CA-O 3.35Å; K78-N96 HydrophobicContact CD-CB 4.24Å; K78-N96 WeakPolarHBondContact CD-OD1 3.48Å; K78-N96 VanDerWaalsContact CE-CG 3.41Å; K78-N96 WeakPolarHBondContact CE-ND2 3.38Å; K78-N96 WeakPolarHBondContact CE-OD1 3.37Å
79C97Very high94.9Very high0 Ų067.8 Ų67.80%030%0.304CS..EExtended strand (participates in β ladder)trans-138.7132-179.2-177.40000111.4L27 I67 L94 A95 V97 F213L27-C79 HydrophobicContact CB-CB 4.48Å; L27-C79 CarbonylContact O-C 3.55Å; L27-C79 WeakPolarHBondContact O-CA 3.47Å; I67-C79 VanDerWaalsContact CG2-SG 3.57Å; C79-L94 WeakPolarHBondContact O-CA 3.49Å; C79-A95 PolarHBondContact N-O 2.91Å; C79-A95 PolarHBondContact O-N 3.29Å; C79-V97 HydrophobicContact CB-CG2 4.03Å; C79-F213 HydrophobicContact CB-CE2 4.21Å; C79-F213 HydrophobicContact CB-CZ 4.18Å
80I97.5Very high95Very high0 Ų062.2 Ų62.20%028%0.278CS..EExtended strand (participates in β ladder)trans-112.1110.7165.1-55.6177.4000107.6V26 L27 I28 F29 M49 F82 M92 W93 L94 T152V26-I80 HydrophobicContact CG1-CD1 4.11Å; V26-I80 HydrophobicContact CG1-CG1 3.9Å; L27-I80 PolarHBondContact O-N 3.44Å; I28-I80 WeakPolarHBondContact CA-O 3.49Å; I28-I80 HydrophobicContact CD1-CD1 4.12Å; I28-I80 HydrophobicContact CG1-CB 4.21Å; I28-I80 HydrophobicContact CG1-CD1 4.26Å; I28-I80 HydrophobicContact CG1-CG1 4.49Å; I28-I80 HydrophobicContact CG2-CB 4.4Å; F29-I80 PolarHBondContact N-O 2.99Å; M49-I80 HydrophobicContact CE-CD1 4.13Å; I80-F82 HydrophobicContact CG2-CD2 4.29Å; I80-F82 HydrophobicContact CG2-CE2 3.72Å; I80-F82 HydrophobicContact CG2-CZ 3.85Å; I80-M92 HydrophobicContact CG2-CG 3.84Å; I80-M92 HydrophobicContact CG2-SD 3.96Å; I80-W93 CarbonylContact C-O 3.56Å; I80-W93 WeakPolarHBondContact CA-O 3.49Å; I80-L94 HydrophobicContact CG1-CD1 3.74Å; I80-T152 HydrophobicContact CD1-CG2 3.66Å; I80-T152 HydrophobicContact CG1-CG2 3.88Å
81Y97.1Very high95.1Very high9 Ų961.3 Ų61.34%0.03527%0.273CS..EExtended strand (participates in β ladder)trans-112.4120.6177.2171.4-119.9000111.5F29 S31 M58 I67 E83 W93F29-Y81 AromaticContact CD2-CD2 3.74Å; F29-Y81 HydrophobicContact CD2-CD2 3.74Å; F29-Y81 HydrophobicContact CD2-CE2 4Å; F29-Y81 HydrophobicContact CE1-CD2 4.14Å; F29-Y81 AromaticContact CE2-CD2 3.27Å; F29-Y81 HydrophobicContact CE2-CD2 3.27Å; F29-Y81 AromaticContact CE2-CE2 3.52Å; F29-Y81 HydrophobicContact CE2-CE2 3.52Å; F29-Y81 HydrophobicContact CE2-CG 4.25Å; F29-Y81 HydrophobicContact CG-CD2 4.32Å; F29-Y81 AromaticContact CZ-CD2 3.5Å; F29-Y81 HydrophobicContact CZ-CD2 3.5Å; F29-Y81 HydrophobicContact CZ-CE2 4.14Å; F29-Y81 HydrophobicContact CZ-CG 4.07Å; S31-Y81 VanDerWaalsContact CB-OH 3.27Å; S31-Y81 WeakPolarHBondContact CB-OH 3.34Å; M58-Y81 HydrophobicContact CB-CE2 4.27Å; M58-Y81 HydrophobicContact SD-CE2 4.3Å; I67-Y81 HydrophobicContact CD1-CD1 3.57Å; I67-Y81 HydrophobicContact CD1-CD2 4.19Å; I67-Y81 HydrophobicContact CD1-CE1 3.95Å; I67-Y81 HydrophobicContact CD1-CG 3.68Å; Y81-E83 HydrophobicContact CD1-CB 4.37Å; Y81-E83 HydrophobicContact CE1-CB 3.83Å; Y81-E83 HydrophobicContact CE1-CG 4.41Å; Y81-W93 HydrophobicContact CD1-CB 4.37Å; Y81-W93 AromaticContact CD1-CD1 3.56Å; Y81-W93 HydrophobicContact CD1-CG 4.1Å; Y81-W93 PolarHBondContact N-O 2.89Å; Y81-W93 PolarHBondContact O-N 3.25Å
82F97Very high95.1Very high0 Ų061.3 Ų61.30%027%0.273CS..EExtended strand (participates in β ladder)trans-92.8105.5177-72.9-69.2000111.6I28 F29 C30 S31 L41 M42 L45 I80 L90 Y91 M92I28-F82 HydrophobicContact CG2-CD2 4.45Å; I28-F82 HydrophobicContact CG2-CE2 4.09Å; F29-F82 PolarHBondContact O-N 3.21Å; C30-F82 CarbonylContact C-O 3.6Å; C30-F82 VanDerWaalsContact CA-O 3.27Å; C30-F82 WeakPolarHBondContact CA-O 3.29Å; C30-F82 HydrophobicContact CB-CB 3.8Å; S31-F82 PolarHBondContact N-O 2.97Å; S31-F82 PolarHBondContact OG-O 3.46Å; L41-F82 HydrophobicContact CD2-CE1 4.25Å; L41-F82 HydrophobicContact CD2-CZ 4.45Å; M42-F82 HydrophobicContact CB-CD2 4.22Å; M42-F82 HydrophobicContact CB-CE2 4.23Å; M42-F82 HydrophobicContact CG-CD2 4.06Å; M42-F82 HydrophobicContact CG-CE2 4.19Å; L45-F82 HydrophobicContact CD1-CE2 4.09Å; L45-F82 HydrophobicContact CD1-CZ 3.67Å; I80-F82 HydrophobicContact CG2-CD2 4.29Å; I80-F82 HydrophobicContact CG2-CE2 3.72Å; I80-F82 HydrophobicContact CG2-CZ 3.85Å; F82-L90 HydrophobicContact CB-CD1 4.01Å; F82-L90 HydrophobicContact CD1-CD1 3.92Å; F82-L90 HydrophobicContact CD1-CD2 4Å; F82-L90 HydrophobicContact CD1-CG 4.11Å; F82-L90 HydrophobicContact CE1-CD2 4.32Å; F82-L90 HydrophobicContact CG-CD1 4.38Å; F82-Y91 CarbonylContact C-O 3.56Å; F82-Y91 WeakPolarHBondContact CA-O 3.39Å; F82-M92 HydrophobicContact CD1-CB 4.16Å; F82-M92 HydrophobicContact CD1-CG 4.17Å; F82-M92 HydrophobicContact CE1-CB 4.02Å; F82-M92 HydrophobicContact CE1-CG 3.76Å; F82-M92 HydrophobicContact CE1-SD 3.78Å; F82-M92 HydrophobicContact CZ-CG 4.29Å; F82-M92 HydrophobicContact CZ-SD 4Å
83E95.5Very high95.2Very high21 Ų2154.5 Ų54.510%0.09824%0.241CC..EExtended strand (participates in β ladder)trans-95.2111.8177.3-177.6-167.9178.600110.5Y81 R85 Y91 W93 K104Y81-E83 HydrophobicContact CD1-CB 4.37Å; Y81-E83 HydrophobicContact CE1-CB 3.83Å; Y81-E83 HydrophobicContact CE1-CG 4.41Å; E83-R85 HydrophobicContact CG-CG 4.46Å; E83-R85 IonicContact OE1-CZ 3.74Å; E83-R85 IonicContact OE1-NE 3.21Å; E83-R85 PolarHBondContact OE1-NE 3.4Å; E83-R85 IonicContact OE1-NH2 3.86Å; E83-R85 PolarHBondContact OE1-NH2 2.88Å; E83-R85 IonicContact OE2-NE 3.48Å; E83-R85 IonicContact OE2-NH2 2.66Å; E83-Y91 PolarHBondContact N-O 3.41Å; E83-Y91 PolarHBondContact O-N 3.22Å; E83-W93 PolarHBondContact OE2-NE1 3.01Å; E83-K104 IonicContact OE2-NZ 3.48Å; E83-K104 PolarHBondContact OE2-NZ 3.43Å
84S94.8Very high95.3Very high2 Ų247.4 Ų47.41%0.01421%0.206CC..EExtended strand (participates in β ladder)trans-97.5120.9177.5-171.10000112.2S31 G33 K60 D89S31-S84 PolarHBondContact OG-N 3.44Å; G33-S84 PolarHBondContact O-OG 2.99Å; K60-S84 PolarHBondContact NZ-O 3.48Å; S84-D89 WeakPolarHBondContact CA-O 3.48Å
85R93.4Very high95.4Very high110 Ų11043 Ų4342%0.41519%0.186SC..EExtended strand (participates in β ladder)trans-109.5133.5176.4-62.7-165.7177.8-166.8-0.9110.6E83 K87 K88 D89 Y91E83-R85 HydrophobicContact CG-CG 4.46Å; E83-R85 IonicContact OE1-CZ 3.74Å; E83-R85 IonicContact OE1-NE 3.21Å; E83-R85 PolarHBondContact OE1-NE 3.4Å; E83-R85 IonicContact OE1-NH2 3.86Å; E83-R85 PolarHBondContact OE1-NH2 2.88Å; E83-R85 IonicContact OE2-NE 3.48Å; E83-R85 IonicContact OE2-NH2 2.66Å; R85-K87 PolarHBondContact O-N 2.95Å; R85-K88 PolarHBondContact O-N 2.89Å; R85-K88 VanDerWaalsContact O-N 3.12Å; R85-D89 HydrophobicContact CB-CB 4.4Å; R85-D89 PolarHBondContact N-O 2.84Å; R85-D89 PolarHBondContact O-N 3.08Å; R85-Y91 HydrophobicContact CB-CD2 4.5Å; R85-Y91 HydrophobicContact CB-CE2 4.14Å; R85-Y91 HydrophobicContact CG-CD2 4.03Å; R85-Y91 HydrophobicContact CG-CE2 3.96Å
86K91.1Very high95.5Very high137 Ų13738.6 Ų38.660%0.59616%0.163SC*.THydrogen-bonded Turntrans53.422.4177.4-56.9-178.1178.8178.50115K88 N228K86-K88 WeakPolarHBondContact O-CG 3.35Å; K86-K88 PolarHBondContact O-N 3.07Å; K86-K88 VanDerWaalsContact O-N 3.11Å; K86-N228 WeakPolarHBondContact CD-OD1 3.3Å; K86-N228 WeakPolarHBondContact CE-OD1 3.41Å; K86-N228 PolarHBondContact NZ-OD1 3.45Å
87K89.6Confident95.4Very high159 Ų15939 Ų3969%0.69117%0.165SC*.THydrogen-bonded Turntrans55.221-174.7-52.3-177.8177.7-177.90113.8R85R85-K87 PolarHBondContact O-N 2.95Å
88K91.8Very high95.3Very high150 Ų15036.9 Ų36.965%0.65217%0.17SC*.THydrogen-bonded Turntrans-132.1-40.9-175.1-69.1-173.3-177.5-164.30112.5R85 K86R85-K88 PolarHBondContact O-N 2.89Å; R85-K88 VanDerWaalsContact O-N 3.12Å; K86-K88 WeakPolarHBondContact O-CG 3.35Å; K86-K88 PolarHBondContact O-N 3.07Å; K86-K88 VanDerWaalsContact O-N 3.11Å
89D95.2Very high95Very high8 Ų847.3 Ų47.34%0.04321%0.209CC..EExtended strand (participates in β ladder)trans-101.3128.4-177-54.1-41.2000109S84 R85 Y91 P227 N228 R231S84-D89 WeakPolarHBondContact CA-O 3.48Å; R85-D89 HydrophobicContact CB-CB 4.4Å; R85-D89 PolarHBondContact N-O 2.84Å; R85-D89 PolarHBondContact O-N 3.08Å; D89-Y91 HydrophobicContact CB-CE2 3.84Å; D89-P227 WeakPolarHBondContact OD1-CB 3.49Å; D89-N228 PolarHBondContact OD2-ND2 3.08Å; D89-R231 VanDerWaalsContact CG-NH1 3.29Å; D89-R231 IonicContact OD1-CZ 3.24Å; D89-R231 VanDerWaalsContact OD1-CZ 3.24Å; D89-R231 IonicContact OD1-NH1 2.67Å; D89-R231 PolarHBondContact OD1-NH1 3.11Å; D89-R231 IonicContact OD1-NH2 2.63Å; D89-R231 PolarHBondContact OD1-NH2 3.42Å; D89-R231 IonicContact OD2-CZ 3.73Å; D89-R231 IonicContact OD2-NH1 3.04Å; D89-R231 PolarHBondContact OD2-NH1 2.72Å; D89-R231 IonicContact OD2-NH2 3.83Å
90L96.7Very high94.8Very high4 Ų448 Ų482%0.02122%0.216CC..EExtended strand (participates in β ladder)trans-108.4123.6174.3-176.564.8000109T34 D38 L41 F82 V107 V110T34-L90 HydrophobicContact CG2-CD1 4.36Å; D38-L90 HydrophobicContact CB-CD1 4.18Å; D38-L90 HydrophobicContact CB-CD2 3.95Å; L41-L90 HydrophobicContact CD2-CD2 4.08Å; F82-L90 HydrophobicContact CB-CD1 4.01Å; F82-L90 HydrophobicContact CD1-CD1 3.92Å; F82-L90 HydrophobicContact CD1-CD2 4Å; F82-L90 HydrophobicContact CD1-CG 4.11Å; F82-L90 HydrophobicContact CE1-CD2 4.32Å; F82-L90 HydrophobicContact CG-CD1 4.38Å; L90-V107 HydrophobicContact CB-CB 4.21Å; L90-V107 HydrophobicContact CD2-CB 3.92Å; L90-V107 HydrophobicContact CD2-CG1 4.12Å; L90-V107 HydrophobicContact CD2-CG2 4.17Å; L90-V107 HydrophobicContact CG-CB 4.07Å; L90-V107 HydrophobicContact CG-CG2 4.13Å; L90-V107 PolarHBondContact O-N 3.02Å; L90-V110 HydrophobicContact CD2-CG2 4.49Å
91Y97.3Very high94.7Very high9 Ų949.1 Ų49.14%0.03522%0.223CC..EExtended strand (participates in β ladder)trans-108.8139.4170.4-62.9-83.8000108.6F82 E83 R85 D89 F105 L106 I206 Y224F82-Y91 CarbonylContact C-O 3.56Å; F82-Y91 WeakPolarHBondContact CA-O 3.39Å; E83-Y91 PolarHBondContact N-O 3.41Å; E83-Y91 PolarHBondContact O-N 3.22Å; R85-Y91 HydrophobicContact CB-CD2 4.5Å; R85-Y91 HydrophobicContact CB-CE2 4.14Å; R85-Y91 HydrophobicContact CG-CD2 4.03Å; R85-Y91 HydrophobicContact CG-CE2 3.96Å; D89-Y91 HydrophobicContact CB-CE2 3.84Å; Y91-F105 CarbonylContact C-O 3.58Å; Y91-F105 VanDerWaalsContact CA-O 3.24Å; Y91-F105 WeakPolarHBondContact CA-O 2.97Å; Y91-L106 HydrophobicContact CD1-CB 4.4Å; Y91-L106 HydrophobicContact CD1-CD1 4.14Å; Y91-L106 HydrophobicContact CE1-CB 4.27Å; Y91-L106 HydrophobicContact CE1-CD1 3.71Å; Y91-I206 HydrophobicContact CD1-CD1 3.5Å; Y91-I206 VanDerWaalsContact CD1-CD1 3.5Å; Y91-I206 HydrophobicContact CE1-CD1 3.51Å; Y91-Y224 WeakPolarHBondContact CE1-OH 3.2Å; Y91-Y224 PolarHBondContact OH-OH 3.31Å
92M97.1Very high94.7Very high0 Ų048.7 Ų48.70%022%0.222CC..EExtended strand (participates in β ladder)trans-115127.7174.7-174.7179.477.600108.4I80 F82 F105 V107 L203I80-M92 HydrophobicContact CG2-CG 3.84Å; I80-M92 HydrophobicContact CG2-SD 3.96Å; F82-M92 HydrophobicContact CD1-CB 4.16Å; F82-M92 HydrophobicContact CD1-CG 4.17Å; F82-M92 HydrophobicContact CE1-CB 4.02Å; F82-M92 HydrophobicContact CE1-CG 3.76Å; F82-M92 HydrophobicContact CE1-SD 3.78Å; F82-M92 HydrophobicContact CZ-CG 4.29Å; F82-M92 HydrophobicContact CZ-SD 4Å; M92-F105 HydrophobicContact CB-CB 4.49Å; M92-F105 HydrophobicContact CE-CD2 3.85Å; M92-F105 HydrophobicContact CE-CE2 4.36Å; M92-F105 HydrophobicContact CE-CG 4.44Å; M92-F105 PolarHBondContact N-O 3.01Å; M92-F105 PolarHBondContact O-N 3.44Å; M92-V107 HydrophobicContact CB-CG2 3.53Å; M92-L203 HydrophobicContact CE-CD1 3.51Å; M92-L203 HydrophobicContact CE-CD2 3.71Å; M92-L203 HydrophobicContact CE-CG 4.28Å; M92-L203 HydrophobicContact SD-CD2 4.44Å
93W97.4Very high94.7Very high17 Ų1748.7 Ų48.76%0.06422%0.222CC..EExtended strand (participates in β ladder)trans-104.8127.1171.3-61.680.9000108I64 I80 Y81 E83 T102 A103 K104 F213I64-W93 HydrophobicContact CD1-CH2 4.24Å; I64-W93 HydrophobicContact CD1-CZ2 3.79Å; I80-W93 CarbonylContact C-O 3.56Å; I80-W93 WeakPolarHBondContact CA-O 3.49Å; Y81-W93 HydrophobicContact CD1-CB 4.37Å; Y81-W93 AromaticContact CD1-CD1 3.56Å; Y81-W93 HydrophobicContact CD1-CG 4.1Å; Y81-W93 PolarHBondContact N-O 2.89Å; Y81-W93 PolarHBondContact O-N 3.25Å; E83-W93 PolarHBondContact OE2-NE1 3.01Å; W93-T102 HydrophobicContact CE3-CG2 3.65Å; W93-T102 HydrophobicContact CZ3-CG2 4.18Å; W93-A103 WeakPolarHBondContact CA-O 3.34Å; W93-K104 HydrophobicContact CD2-CB 4.37Å; W93-K104 HydrophobicContact CD2-CD 4.3Å; W93-K104 HydrophobicContact CD2-CG 4.02Å; W93-K104 HydrophobicContact CE3-CB 4.06Å; W93-K104 HydrophobicContact CE3-CD 4.36Å; W93-K104 HydrophobicContact CE3-CG 4.16Å; W93-K104 HydrophobicContact CH2-CD 3.79Å; W93-K104 HydrophobicContact CH2-CG 4.46Å; W93-K104 HydrophobicContact CZ2-CD 3.68Å; W93-K104 HydrophobicContact CZ2-CG 4.32Å; W93-K104 HydrophobicContact CZ3-CB 4.24Å; W93-K104 HydrophobicContact CZ3-CD 4.11Å; W93-K104 HydrophobicContact CZ3-CG 4.36Å; W93-F213 HydrophobicContact CB-CE1 3.73Å; W93-F213 HydrophobicContact CD2-CE1 4.46Å; W93-F213 HydrophobicContact CE3-CD1 4.22Å; W93-F213 HydrophobicContact CE3-CE1 4.43Å; W93-F213 HydrophobicContact CG-CE1 4.24Å
94L97.2Very high94.8Very high0 Ų048.8 Ų48.80%022%0.222CC..EExtended strand (participates in β ladder)trans-115.6119.3174.6-176.368.3000107.9C79 I80 T102 A103 F105 M148 F149 T152C79-L94 WeakPolarHBondContact O-CA 3.49Å; I80-L94 HydrophobicContact CG1-CD1 3.74Å; L94-T102 CarbonylContact O-C 3.57Å; L94-T102 WeakPolarHBondContact O-CA 3.19Å; L94-A103 PolarHBondContact N-O 2.99Å; L94-A103 PolarHBondContact O-N 3.42Å; L94-F105 HydrophobicContact CB-CE2 4.2Å; L94-M148 HydrophobicContact CB-CE 4.41Å; L94-M148 HydrophobicContact CD2-CB 4Å; L94-M148 HydrophobicContact CD2-CE 4.14Å; L94-M148 HydrophobicContact CG-CE 4Å; L94-M148 WeakPolarHBondContact O-CE 3.41Å; L94-F149 HydrophobicContact CD2-CD1 3.61Å; L94-F149 HydrophobicContact CD2-CE1 3.67Å; L94-T152 HydrophobicContact CD1-CG2 3.63Å
95A96.6Very high95Very high0 Ų048.7 Ų48.70%022%0.221CC..EExtended strand (participates in β ladder)trans-134.6142.4-175.600000112.4K78 C79 V97 P101 T102 F213K78-A95 CarbonylContact C-O 3.54Å; K78-A95 WeakPolarHBondContact CA-O 3.35Å; C79-A95 PolarHBondContact N-O 2.91Å; C79-A95 PolarHBondContact O-N 3.29Å; A95-V97 HydrophobicContact CB-CG2 4.45Å; A95-P101 WeakPolarHBondContact CA-O 3.45Å; A95-T102 HydrophobicContact CB-CG2 4.08Å; A95-F213 HydrophobicContact CB-CD2 4.2Å; A95-F213 HydrophobicContact CB-CE1 4.34Å; A95-F213 HydrophobicContact CB-CE2 3.63Å; A95-F213 HydrophobicContact CB-CZ 3.73Å
96N96Very high95.2Very high23 Ų2343.7 Ų43.712%0.12320%0.203CC..EExtended strand (participates in β ladder)trans-92114.8162.4-74.517.7000108.2K78 G100 P101 Q151K78-N96 HydrophobicContact CD-CB 4.24Å; K78-N96 WeakPolarHBondContact CD-OD1 3.48Å; K78-N96 VanDerWaalsContact CE-CG 3.41Å; K78-N96 WeakPolarHBondContact CE-ND2 3.38Å; K78-N96 WeakPolarHBondContact CE-OD1 3.37Å; N96-G100 VanDerWaalsContact CB-O 3.31Å; N96-G100 WeakPolarHBondContact CB-O 3.46Å; N96-G100 CarbonylContact O-C 3.44Å; N96-G100 WeakPolarHBondContact O-CA 3.47Å; N96-G100 PolarHBondContact O-N 3.12Å; N96-P101 PolarHBondContact N-O 3.11Å; N96-Q151 PolarHBondContact ND2-OE1 3Å
97V94.6Very high95.5Very high15 Ų1537.6 Ų37.69%0.09118%0.177CC..THydrogen-bonded Turntrans-99.8137-176.2-173.10000109.2N68 C71 R77 C79 A95 F213N68-V97 HydrophobicContact CB-CG1 4.3Å; C71-V97 HydrophobicContact CB-CB 4.16Å; C71-V97 HydrophobicContact CB-CG1 3.78Å; C71-V97 HydrophobicContact CB-CG2 4.11Å; R77-V97 PolarHBondContact O-N 3.18Å; C79-V97 HydrophobicContact CB-CG2 4.03Å; A95-V97 HydrophobicContact CB-CG2 4.45Å; V97-F213 HydrophobicContact CG2-CE2 4.37Å
98P91.3Very high95.7Very high101 Ų10132.8 Ų32.866%0.65616%0.157SC*.THydrogen-bonded Turncis-95.5-12.33.335.5-34.9000115.2S212P98-S212 WeakPolarHBondContact O-CB 2.73Å
99R91.8Very high95.8Very high229 Ų22929.4 Ų29.486%0.86415%0.146SC*.THydrogen-bonded Turntrans-78.6-24.3-168.6-66.4-176.4-179.2169.6-0.5114.4G211R99-G211 WeakPolarHBondContact O-CA 3.32Å
100G91.1Very high95.9Very high14 Ų1429.2 Ų29.214%0.14415%0.145CC..  trans93.9-178.8-165.400000112.1N96 G211N96-G100 VanDerWaalsContact CB-O 3.31Å; N96-G100 WeakPolarHBondContact CB-O 3.46Å; N96-G100 CarbonylContact O-C 3.44Å; N96-G100 WeakPolarHBondContact O-CA 3.47Å; N96-G100 PolarHBondContact O-N 3.12Å; G100-G211 VanDerWaalsContact CA-C 3.48Å
101P96.3Very high95.8Very high23 Ų2332 Ų3215%0.14916%0.158CC..  cis-79.9170.95.734-38.9000113.7A95 N96 L144 M148 I208 Q209A95-P101 WeakPolarHBondContact CA-O 3.45Å; N96-P101 PolarHBondContact N-O 3.11Å; P101-L144 HydrophobicContact CB-CD2 4.5Å; P101-L144 HydrophobicContact CG-CD1 4.2Å; P101-L144 HydrophobicContact CG-CD2 4.3Å; P101-L144 HydrophobicContact CG-CG 4.46Å; P101-M148 HydrophobicContact CB-SD 4.46Å; P101-M148 HydrophobicContact CG-CE 4.04Å; P101-M148 HydrophobicContact CG-CG 4.2Å; P101-M148 HydrophobicContact CG-SD 3.63Å; P101-I208 HydrophobicContact CB-CG2 4.35Å; P101-Q209 WeakPolarHBondContact CA-O 3.42Å; P101-Q209 WeakPolarHBondContact CB-O 3.49Å
102T97.3Very high95.7Very high0 Ų032.2 Ų32.20%016%0.16CC..EExtended strand (participates in β ladder)trans-122.4119.9171.7-580000110.9W93 L94 A95 I208 Q209 G211 S212 F213W93-T102 HydrophobicContact CE3-CG2 3.65Å; W93-T102 HydrophobicContact CZ3-CG2 4.18Å; L94-T102 CarbonylContact O-C 3.57Å; L94-T102 WeakPolarHBondContact O-CA 3.19Å; A95-T102 HydrophobicContact CB-CG2 4.08Å; T102-I208 CarbonylContact O-C 3.52Å; T102-I208 WeakPolarHBondContact O-CA 3.33Å; T102-Q209 PolarHBondContact N-O 3.15Å; T102-Q209 PolarHBondContact O-N 2.63Å; T102-G211 WeakPolarHBondContact CB-O 3.16Å; T102-G211 PolarHBondContact N-O 3.21Å; T102-G211 PolarHBondContact OG1-O 3.04Å; T102-S212 WeakPolarHBondContact OG1-CA 3.38Å; T102-F213 HydrophobicContact CG2-CD1 4.27Å; T102-F213 PolarHBondContact OG1-N 3.2Å
103A97.5Very high95.4Very high0 Ų034.2 Ų34.20%017%0.17CC..EExtended strand (participates in β ladder)trans-102.3134.1173.300000110.5W93 L94 F105 L145 M148 I208W93-A103 WeakPolarHBondContact CA-O 3.34Å; L94-A103 PolarHBondContact N-O 2.99Å; L94-A103 PolarHBondContact O-N 3.42Å; A103-F105 HydrophobicContact CB-CD2 4.43Å; A103-F105 HydrophobicContact CB-CE2 3.51Å; A103-F105 HydrophobicContact CB-CZ 3.74Å; A103-L145 HydrophobicContact CB-CD2 3.71Å; A103-M148 HydrophobicContact CB-CE 4.15Å; A103-M148 HydrophobicContact CB-SD 4.2Å; A103-I208 HydrophobicContact CB-CG1 4.44Å
104K97.5Very high95.2Very high24 Ų2439.8 Ų39.810%0.10420%0.201CC..EExtended strand (participates in β ladder)trans-111.9128.3176.5-171.1-176.7-175.2149.90110.3E83 W93 I206 T207E83-K104 IonicContact OE2-NZ 3.48Å; E83-K104 PolarHBondContact OE2-NZ 3.43Å; W93-K104 HydrophobicContact CD2-CB 4.37Å; W93-K104 HydrophobicContact CD2-CD 4.3Å; W93-K104 HydrophobicContact CD2-CG 4.02Å; W93-K104 HydrophobicContact CE3-CB 4.06Å; W93-K104 HydrophobicContact CE3-CD 4.36Å; W93-K104 HydrophobicContact CE3-CG 4.16Å; W93-K104 HydrophobicContact CH2-CD 3.79Å; W93-K104 HydrophobicContact CH2-CG 4.46Å; W93-K104 HydrophobicContact CZ2-CD 3.68Å; W93-K104 HydrophobicContact CZ2-CG 4.32Å; W93-K104 HydrophobicContact CZ3-CB 4.24Å; W93-K104 HydrophobicContact CZ3-CD 4.11Å; W93-K104 HydrophobicContact CZ3-CG 4.36Å; K104-I206 HydrophobicContact CB-CB 4.44Å; K104-I206 HydrophobicContact CD-CD1 4.25Å; K104-I206 HydrophobicContact CG-CB 4.44Å; K104-I206 HydrophobicContact CG-CD1 4.18Å; K104-I206 WeakPolarHBondContact O-CB 3.46Å; K104-I206 PolarHBondContact O-N 3.21Å; K104-T207 PolarHBondContact N-O 2.75Å; K104-T207 PolarHBondContact O-N 2.78Å
105F98Very high94.9Very high0 Ų042.4 Ų42.40%021%0.213CC..EExtended strand (participates in β ladder)trans-121.1148.8179.4-56.4-85.7000111.6Y91 M92 L94 A103 L145 F149 I179 L203 N204 L205Y91-F105 CarbonylContact C-O 3.58Å; Y91-F105 VanDerWaalsContact CA-O 3.24Å; Y91-F105 WeakPolarHBondContact CA-O 2.97Å; M92-F105 HydrophobicContact CB-CB 4.49Å; M92-F105 HydrophobicContact CE-CD2 3.85Å; M92-F105 HydrophobicContact CE-CE2 4.36Å; M92-F105 HydrophobicContact CE-CG 4.44Å; M92-F105 PolarHBondContact N-O 3.01Å; M92-F105 PolarHBondContact O-N 3.44Å; L94-F105 HydrophobicContact CB-CE2 4.2Å; A103-F105 HydrophobicContact CB-CD2 4.43Å; A103-F105 HydrophobicContact CB-CE2 3.51Å; A103-F105 HydrophobicContact CB-CZ 3.74Å; F105-L145 HydrophobicContact CE1-CD1 3.94Å; F105-L145 HydrophobicContact CE1-CD2 4.4Å; F105-L145 HydrophobicContact CZ-CD1 4.01Å; F105-L145 HydrophobicContact CZ-CD2 3.65Å; F105-L145 HydrophobicContact CZ-CG 4.46Å; F105-F149 HydrophobicContact CE1-CZ 4.17Å; F105-F149 HydrophobicContact CE2-CE1 4.23Å; F105-F149 HydrophobicContact CE2-CZ 4.3Å; F105-F149 HydrophobicContact CZ-CE1 4.04Å; F105-F149 AromaticContact CZ-CZ 3.68Å; F105-F149 HydrophobicContact CZ-CZ 3.68Å; F105-I179 HydrophobicContact CE1-CD1 4.16Å; F105-L203 HydrophobicContact CB-CB 4.22Å; F105-L203 HydrophobicContact CB-CD2 4.26Å; F105-L203 HydrophobicContact CD1-CB 3.84Å; F105-L203 HydrophobicContact CD1-CD1 4.37Å; F105-L203 HydrophobicContact CG-CB 4.19Å; F105-L203 HydrophobicContact CG-CD1 4.35Å; F105-N204 CarbonylContact C-O 3.56Å; F105-N204 VanDerWaalsContact CA-O 3.29Å; F105-N204 WeakPolarHBondContact CA-O 3.47Å; F105-L205 HydrophobicContact CD1-CB 4.16Å; F105-L205 HydrophobicContact CD1-CD1 4Å; F105-L205 HydrophobicContact CE1-CB 4.09Å; F105-L205 HydrophobicContact CE1-CD1 3.55Å; F105-L205 HydrophobicContact CE1-CG 4.4Å; F105-L205 HydrophobicContact CZ-CD1 4.03Å
106L97.6Very high94.6Very high5 Ų550.7 Ų50.73%0.02626%0.256CS..EExtended strand (participates in β ladder)trans-89.9123.9157.4174.972.4000107.7Y91 Q108 N204 I206 Y224 P227Y91-L106 HydrophobicContact CD1-CB 4.4Å; Y91-L106 HydrophobicContact CD1-CD1 4.14Å; Y91-L106 HydrophobicContact CE1-CB 4.27Å; Y91-L106 HydrophobicContact CE1-CD1 3.71Å; L106-Q108 HydrophobicContact CD2-CG 3.96Å; L106-Q108 HydrophobicContact CG-CG 4Å; L106-N204 HydrophobicContact CB-CB 4.33Å; L106-N204 PolarHBondContact N-O 2.97Å; L106-N204 PolarHBondContact O-N 3.33Å; L106-I206 HydrophobicContact CB-CD1 4.06Å; L106-I206 HydrophobicContact CB-CG1 4.42Å; L106-Y224 HydrophobicContact CB-CE2 3.94Å; L106-Y224 HydrophobicContact CD2-CE2 3.98Å; L106-P227 HydrophobicContact CD1-CG 3.84Å; L106-P227 HydrophobicContact CD2-CG 3.66Å; L106-P227 HydrophobicContact CG-CG 4.44Å
107V97.3Very high94.4Very high8 Ų857.9 Ų57.95%0.04829%0.286CS..EExtended strand (participates in β ladder)trans-92.3127.3176.8-167.80000109.3L41 L90 M92 V110 M201 T202 L203L41-V107 HydrophobicContact CD2-CG1 4.47Å; L90-V107 HydrophobicContact CB-CB 4.21Å; L90-V107 HydrophobicContact CD2-CB 3.92Å; L90-V107 HydrophobicContact CD2-CG1 4.12Å; L90-V107 HydrophobicContact CD2-CG2 4.17Å; L90-V107 HydrophobicContact CG-CB 4.07Å; L90-V107 HydrophobicContact CG-CG2 4.13Å; L90-V107 PolarHBondContact O-N 3.02Å; M92-V107 HydrophobicContact CB-CG2 3.53Å; V107-V110 HydrophobicContact CG1-CG2 3.47Å; V107-V110 VanDerWaalsContact CG1-CG2 3.47Å; V107-M201 HydrophobicContact CG1-CB 4.02Å; V107-M201 HydrophobicContact CG1-SD 4.47Å; V107-T202 WeakPolarHBondContact CA-O 3.47Å; V107-L203 HydrophobicContact CB-CD2 4.38Å; V107-L203 HydrophobicContact CG1-CD2 4.18Å; V107-L203 HydrophobicContact CG2-CD2 3.82Å
108Q94.6Very high94.2Very high58 Ų5857.9 Ų57.927%0.27129%0.285SS..EExtended strand (participates in β ladder)trans-129.1168.7178-59.1-173.6-54.900109.9L106 V110 T202L106-Q108 HydrophobicContact CD2-CG 3.96Å; L106-Q108 HydrophobicContact CG-CG 4Å; Q108-V110 PolarHBondContact O-N 3.24Å; Q108-V110 VanDerWaalsContact O-N 3.11Å; Q108-T202 PolarHBondContact N-O 2.72Å; Q108-T202 PolarHBondContact O-N 2.77Å
109N94.6Very high94.3Very high80 Ų8058 Ų5843%0.42829%0.285SS..EExtended strand (participates in β ladder)trans48.443.9174.4-56.1-11.1000113.5H111N109-H111 PolarHBondContact O-CD2 3.44Å; N109-H111 VanDerWaalsContact O-CD2 3.24Å; N109-H111 PolarHBondContact O-N 3.07Å
110V95.3Very high94.4Very high3 Ų347.6 Ų47.62%0.01825%0.248CC..EExtended strand (participates in β ladder)trans-73.9122.5178.1177.20000109.4R37 L41 L90 V107 Q108 R200 M201R37-V110 HydrophobicContact CG-CG1 4.24Å; R37-V110 PolarHBondContact NH1-O 3.1Å; L41-V110 HydrophobicContact CB-CG1 3.9Å; L41-V110 HydrophobicContact CD1-CG1 4.18Å; L41-V110 HydrophobicContact CD2-CG1 3.76Å; L41-V110 HydrophobicContact CD2-CG2 3.96Å; L41-V110 HydrophobicContact CG-CG1 4.15Å; L90-V110 HydrophobicContact CD2-CG2 4.49Å; V107-V110 HydrophobicContact CG1-CG2 3.47Å; V107-V110 VanDerWaalsContact CG1-CG2 3.47Å; Q108-V110 PolarHBondContact O-N 3.24Å; Q108-V110 VanDerWaalsContact O-N 3.11Å; V110-R200 WeakPolarHBondContact CA-O 3.41Å; V110-M201 HydrophobicContact CG2-CB 4.45Å
111H95.4Very high94.5Very high62 Ų6252.4 Ų52.429%0.28727%0.271SS..EExtended strand (participates in β ladder)trans-125.1128.3169.2-61.8-86.3000108.8N109 E115 P199 R200N109-H111 PolarHBondContact O-CD2 3.44Å; N109-H111 VanDerWaalsContact O-CD2 3.24Å; N109-H111 PolarHBondContact O-N 3.07Å; H111-E115 WeakPolarHBondContact CA-OE1 3.49Å; H111-E115 HydrophobicContact CB-CG 4.44Å; H111-E115 WeakPolarHBondContact CB-OE1 3.33Å; H111-E115 WeakPolarHBondContact CB-OE2 3.41Å; H111-E115 IonicContact CE1-OE1 2.71Å; H111-E115 IonicContact CE1-OE2 3.94Å; H111-E115 IonicContact CG-OE1 3.98Å; H111-E115 VanDerWaalsContact CG-OE1 3.32Å; H111-E115 IonicContact CG-OE2 2.68Å; H111-E115 IonicContact ND1-OE1 3.72Å; H111-E115 PolarHBondContact ND1-OE1 3.11Å; H111-E115 IonicContact ND1-OE2 3.11Å; H111-E115 PolarHBondContact ND1-OE2 3.38Å; H111-P199 CarbonylContact O-C 3.54Å; H111-P199 VanDerWaalsContact O-CA 3.27Å; H111-P199 WeakPolarHBondContact O-CA 3.5Å; H111-P199 WeakPolarHBondContact O-CB 3.44Å; H111-R200 HydrophobicContact CB-CB 3.86Å; H111-R200 HydrophobicContact CB-CG 4.03Å; H111-R200 PolarHBondContact N-O 3.46Å; H111-R200 PolarHBondContact O-N 3.09Å
112T94.4Very high94.3Very high15 Ų1552.1 Ų52.19%0.09227%0.269CS..  trans-89.5163.1-176.354.40000110.8R37 H40 D44 L114 E115 L118R37-T112 HydrophobicContact CG-CG2 4.13Å; H40-T112 HydrophobicContact CB-CG2 3.59Å; D44-T112 WeakPolarHBondContact OD2-CA 3.41Å; D44-T112 WeakPolarHBondContact OD2-CB 3.34Å; T112-L114 PolarHBondContact O-N 2.88Å; T112-L114 VanDerWaalsContact O-N 3.1Å; T112-E115 WeakPolarHBondContact O-CG 3.46Å; T112-E115 PolarHBondContact O-N 3.26Å; T112-E115 VanDerWaalsContact O-N 3.15Å; T112-L118 WeakPolarHBondContact O-CD1 3.38Å
113M92.1Very high94.1Very high42 Ų4255.7 Ų55.721%0.20729%0.288CS..THydrogen-bonded Turntrans-56.8-26.7176.7-68.4174.4168.500113.3D44 L48 E115 I197 G198D44-M113 HydrophobicContact CB-CE 4.15Å; D44-M113 HydrophobicContact CB-CG 4.03Å; D44-M113 HydrophobicContact CB-SD 3.82Å; D44-M113 PolarHBondContact OD2-N 3.19Å; L48-M113 HydrophobicContact CD1-CE 3.56Å; L48-M113 HydrophobicContact CD2-CE 3.53Å; L48-M113 HydrophobicContact CG-CE 3.43Å; L48-M113 VanDerWaalsContact CG-CE 3.43Å; M113-E115 PolarHBondContact O-N 3.5Å; M113-I197 HydrophobicContact CE-CG2 4.49Å; M113-G198 WeakPolarHBondContact CE-O 3.4Å
114L91.8Very high93.8Very high134 Ų13463.2 Ų63.270%0.70232%0.321SS*.THydrogen-bonded Turntrans-76.17.2179.7-64.3176.1000114.8T112T112-L114 PolarHBondContact O-N 2.88Å; T112-L114 VanDerWaalsContact O-N 3.1Å
115E92.4Very high93.4Very high55 Ų5562.2 Ų62.226%0.25732%0.317SS..  trans-77.6134.5177.9-73.5-164-172.400112.5H111 T112 M113 K117 L118H111-E115 WeakPolarHBondContact CA-OE1 3.49Å; H111-E115 HydrophobicContact CB-CG 4.44Å; H111-E115 WeakPolarHBondContact CB-OE1 3.33Å; H111-E115 WeakPolarHBondContact CB-OE2 3.41Å; H111-E115 IonicContact CE1-OE1 2.71Å; H111-E115 IonicContact CE1-OE2 3.94Å; H111-E115 IonicContact CG-OE1 3.98Å; H111-E115 VanDerWaalsContact CG-OE1 3.32Å; H111-E115 IonicContact CG-OE2 2.68Å; H111-E115 IonicContact ND1-OE1 3.72Å; H111-E115 PolarHBondContact ND1-OE1 3.11Å; H111-E115 IonicContact ND1-OE2 3.11Å; H111-E115 PolarHBondContact ND1-OE2 3.38Å; T112-E115 WeakPolarHBondContact O-CG 3.46Å; T112-E115 PolarHBondContact O-N 3.26Å; T112-E115 VanDerWaalsContact O-N 3.15Å; M113-E115 PolarHBondContact O-N 3.5Å; E115-K117 PolarHBondContact O-N 3.03Å; E115-L118 HydrophobicContact CB-CD1 4.1Å; E115-L118 HydrophobicContact CB-CG 4.26Å; E115-L118 WeakPolarHBondContact O-CB 3.46Å; E115-L118 PolarHBondContact O-N 3.19Å
116L89.3Confident93.1Very high173 Ų17362.2 Ų62.291%0.90632%0.317SS*.THydrogen-bonded Turntrans-56.3-27.3-175.2-174.165.2000114.7L118L116-L118 VanDerWaalsContact C-N 3.28Å
117K91.5Very high92.9Very high174 Ų17466.3 Ų66.376%0.75733%0.332SS*.THydrogen-bonded Turntrans-81.4-7.4-178.7-64.7-172.1176.9-173.30113.6E115E115-K117 PolarHBondContact O-N 3.03Å
118L91.9Very high92.8Very high15 Ų1566.6 Ų66.68%0.07934%0.335CS..  trans-10198.9-179.7-60.8178.8000107.6T112 E115 L116 E196 I197T112-L118 WeakPolarHBondContact O-CD1 3.38Å; E115-L118 HydrophobicContact CB-CD1 4.1Å; E115-L118 HydrophobicContact CB-CG 4.26Å; E115-L118 WeakPolarHBondContact O-CB 3.46Å; E115-L118 PolarHBondContact O-N 3.19Å; L116-L118 VanDerWaalsContact C-N 3.28Å; L118-E196 CarbonylContact C-O 3.53Å; L118-E196 WeakPolarHBondContact CA-O 3.27Å; L118-E196 HydrophobicContact CD2-CB 3.9Å; L118-E196 HydrophobicContact CD2-CG 3.73Å; L118-I197 WeakPolarHBondContact CB-O 3.42Å; L118-I197 WeakPolarHBondContact CD1-O 3.23Å
119T93Very high92.8Very high104 Ų10468 Ų6864%0.63834%0.343SS*.  trans-90.2-19.2-176.653.80000112.8E195 E196T119-E195 PolarHBondContact OG1-OE2 2.85Å; T119-E196 PolarHBondContact N-O 3.48Å
120G92.6Very high92.8Very high10 Ų1066.1 Ų66.110%0.10333%0.333CS..  trans-68.9151.7-177.700000112.3Q185 E196G120-Q185 VanDerWaalsContact CA-OE1 3.31Å; G120-E196 PolarHBondContact N-O 3.31Å
121N93.2Very high92.9Very high116 Ų11668.6 Ų68.662%0.6235%0.351SS*.  trans-129.9157.6174-170.417.7000110.4Q185N121-Q185 WeakPolarHBondContact O-CB 3.3Å; N121-Q185 WeakPolarHBondContact O-CG 3.46Å; N121-Q185 PolarHBondContact O-NE2 2.71Å; N121-Q185 PolarHBondContact O-OE1 3.19Å; N121-Q185 VanDerWaalsContact O-OE1 3.12Å
122C92.8Very high93Very high17 Ų1767.6 Ų67.612%0.11535%0.346CS..  trans-144.2157.4167.2680000113.2K124 D167 H168 I197C122-K124 PolarHBondContact O-N 3.07Å; C122-D167 WeakPolarHBondContact CA-OD2 3.44Å; C122-D167 HydrophobicContact CB-CB 4.38Å; C122-H168 HydrophobicContact CB-CB 3.86Å; C122-I197 HydrophobicContact CB-CD1 3.62Å
123L92.5Very high93.1Very high75 Ų7569 Ų6939%0.39335%0.352SS..  trans-58.6121.2171.7-71.2-179.9000110.3G125 S126 K163 F165 D167L123-G125 PolarHBondContact O-N 2.61Å; L123-G125 VanDerWaalsContact O-N 3.1Å; L123-S126 WeakPolarHBondContact O-CB 3.49Å; L123-S126 PolarHBondContact O-N 3.42Å; L123-S126 PolarHBondContact O-OG 3.28Å; L123-S126 VanDerWaalsContact O-OG 3.07Å; L123-K163 HydrophobicContact CD1-CB 4.44Å; L123-F165 HydrophobicContact CD1-CB 4.35Å; L123-F165 HydrophobicContact CD1-CD2 4.3Å; L123-D167 HydrophobicContact CB-CB 4.48Å; L123-D167 PolarHBondContact N-OD2 2.68Å
124K91.2Very high93.3Very high157 Ų15770.4 Ų70.468%0.68337%0.371SS*.THydrogen-bonded Turntrans-57.8118.8175.4-170.8178.4-179.41730110.5S47 C122S47-K124 VanDerWaalsContact O-CG 3.26Å; S47-K124 WeakPolarHBondContact O-CG 3.45Å; C122-K124 PolarHBondContact O-N 3.07Å
125G89.6Confident93.4Very high3 Ų368.5 Ų68.53%0.03136%0.358CS..THydrogen-bonded Turntrans77.614.6-179.700000115.3S47 L123 S162 K163S47-G125 PolarHBondContact O-N 2.96Å; L123-G125 PolarHBondContact O-N 2.61Å; L123-G125 VanDerWaalsContact O-N 3.1Å; G125-S162 WeakPolarHBondContact O-CA 3.21Å; G125-K163 PolarHBondContact O-N 3.4Å; G125-K163 VanDerWaalsContact O-N 3.14Å
126S92.6Very high93.6Very high0 Ų065.9 Ų65.90%035%0.346CS..BIsolated β-bridgetrans-63.2154.1166.1630000111L123 P128 F165 H168L123-S126 WeakPolarHBondContact O-CB 3.49Å; L123-S126 PolarHBondContact O-N 3.42Å; L123-S126 PolarHBondContact O-OG 3.28Å; L123-S126 VanDerWaalsContact O-OG 3.07Å; S126-P128 WeakPolarHBondContact O-CD 3.32Å; S126-F165 VanDerWaalsContact CB-O 3.3Å; S126-F165 WeakPolarHBondContact CB-O 3.37Å; S126-H168 PolarHBondContact O-CE1 2.78Å; S126-H168 PolarHBondContact OG-CE1 2.85Å; S126-H168 PolarHBondContact OG-ND1 2.93Å
127R92.8Very high93.8Very high91 Ų9161.3 Ų61.334%0.34333%0.329SS..PPolyproline II helixtrans-75.2119.1178.7-144.5177.766.5-142.8-3.1109.2V155 N157R127-V155 WeakPolarHBondContact CD-O 3.4Å; R127-V155 HydrophobicContact CG-CB 3.84Å; R127-V155 HydrophobicContact CG-CG1 4.23Å; R127-V155 VanDerWaalsContact CG-O 3.31Å; R127-V155 WeakPolarHBondContact CG-O 3.49Å; R127-N157 PolarHBondContact NH1-OD1 3.23Å
128P94.6Very high94Very high15 Ų1558.5 Ų58.510%0.09732%0.322CS..PPolyproline II helixtrans-73.9150.9178.127.1-31.4000111.5S126 L130 V155 H168 L170S126-P128 WeakPolarHBondContact O-CD 3.32Å; P128-L130 HydrophobicContact CB-CD2 4.22Å; P128-L130 HydrophobicContact CG-CD2 4.07Å; P128-V155 VanDerWaalsContact CD-CG2 3.48Å; P128-V155 HydrophobicContact CG-CG2 4.24Å; P128-H168 WeakPolarHBondContact CA-O 3.09Å; P128-H168 WeakPolarHBondContact CB-NE2 3.36Å; P128-L170 HydrophobicContact CB-CB 4.45Å
129L94.4Very high94.1Very high87 Ų8762 Ų6246%0.45534%0.338SS..EExtended strand (participates in β ladder)trans-81.8131.8155-60.6176.5000108.8V166 H168 I169 L170L129-V166 HydrophobicContact CD1-CG1 3.97Å; L129-V166 HydrophobicContact CD2-CG1 3.99Å; L129-V166 HydrophobicContact CG-CG1 3.57Å; L129-H168 PolarHBondContact N-O 2.71Å; L129-I169 HydrophobicContact CB-CB 4.49Å; L129-I169 HydrophobicContact CB-CG1 4.16Å; L129-I169 HydrophobicContact CB-CG2 4.26Å; L129-I169 HydrophobicContact CD1-CD1 4.44Å; L129-I169 HydrophobicContact CD1-CG1 4.28Å; L129-I169 CarbonylContact O-C 3.53Å; L129-I169 WeakPolarHBondContact O-CA 3.4Å; L129-L170 PolarHBondContact O-N 3.5Å
130L96.2Very high94.2Very high40 Ų4062.1 Ų62.121%0.20934%0.34CS..EExtended strand (participates in β ladder)trans-97.8115.4175.5-54-175.4000108.5P128 F132 T150 F153 L170 F172P128-L130 HydrophobicContact CB-CD2 4.22Å; P128-L130 HydrophobicContact CG-CD2 4.07Å; L130-F132 HydrophobicContact CB-CD2 4.4Å; L130-F132 HydrophobicContact CB-CE2 3.76Å; L130-F132 HydrophobicContact CB-CZ 4.36Å; L130-F132 HydrophobicContact CD1-CE2 4.31Å; L130-F132 HydrophobicContact CD1-CZ 4.43Å; L130-T150 HydrophobicContact CD1-CG2 4.32Å; L130-F153 HydrophobicContact CD2-CB 4.24Å; L130-L170 WeakPolarHBondContact CA-O 3.43Å; L130-L170 HydrophobicContact CD2-CB 3.93Å; L130-L170 HydrophobicContact CD2-CD2 4.13Å; L130-F172 HydrophobicContact CD2-CE2 4.22Å
131S96.2Very high94.3Very high56 Ų5663.6 Ų63.639%0.39234%0.344SS..EExtended strand (participates in β ladder)trans-101.3122.9174.2-178.40000109.1L170 S171 F172S131-L170 PolarHBondContact N-O 2.88Å; S131-S171 CarbonylContact O-C 3.57Å; S131-S171 WeakPolarHBondContact O-CA 3.44Å; S131-F172 PolarHBondContact O-N 3.12Å
132F97.5Very high94.4Very high41 Ų4158.8 Ų58.818%0.1832%0.318CS..EExtended strand (participates in β ladder)trans-114.8133.2176.7-68.2-81.8000109.7L130 F136 K146 F149 T150 F172L130-F132 HydrophobicContact CB-CD2 4.4Å; L130-F132 HydrophobicContact CB-CE2 3.76Å; L130-F132 HydrophobicContact CB-CZ 4.36Å; L130-F132 HydrophobicContact CD1-CE2 4.31Å; L130-F132 HydrophobicContact CD1-CZ 4.43Å; F132-F136 HydrophobicContact CB-CD2 4.25Å; F132-F136 HydrophobicContact CD1-CD2 4.15Å; F132-F136 HydrophobicContact CD1-CE2 4.17Å; F132-F136 HydrophobicContact CD1-CG 4.37Å; F132-F136 HydrophobicContact CD1-CZ 4.4Å; F132-K146 HydrophobicContact CB-CD 4.46Å; F132-K146 HydrophobicContact CD1-CB 4.45Å; F132-K146 HydrophobicContact CD1-CG 3.87Å; F132-K146 HydrophobicContact CD2-CG 4.17Å; F132-K146 HydrophobicContact CE1-CB 4.46Å; F132-K146 HydrophobicContact CE1-CG 4.02Å; F132-K146 HydrophobicContact CE2-CG 4.28Å; F132-K146 HydrophobicContact CG-CD 4.33Å; F132-K146 HydrophobicContact CG-CG 3.95Å; F132-K146 HydrophobicContact CZ-CG 4.21Å; F132-F149 HydrophobicContact CE1-CB 3.99Å; F132-F149 HydrophobicContact CE1-CD2 4.38Å; F132-F149 HydrophobicContact CZ-CB 4.13Å; F132-T150 VanDerWaalsContact CE2-OG1 3.29Å; F132-T150 WeakPolarHBondContact CE2-OG1 3.42Å; F132-T150 VanDerWaalsContact CZ-OG1 3.29Å; F132-T150 WeakPolarHBondContact CZ-OG1 3.18Å; F132-F172 HydrophobicContact CD1-CB 3.76Å; F132-F172 AromaticContact CD1-CD2 3.85Å; F132-F172 HydrophobicContact CD1-CD2 3.85Å; F132-F172 AromaticContact CD1-CG 3.96Å; F132-F172 HydrophobicContact CD1-CG 3.96Å; F132-F172 HydrophobicContact CE1-CB 4.06Å; F132-F172 HydrophobicContact CE1-CD1 4.42Å; F132-F172 AromaticContact CE1-CD2 3.49Å; F132-F172 HydrophobicContact CE1-CD2 3.49Å; F132-F172 VanDerWaalsContact CE1-CD2 3.49Å; F132-F172 HydrophobicContact CE1-CE2 4Å; F132-F172 AromaticContact CE1-CG 3.75Å; F132-F172 HydrophobicContact CE1-CG 3.75Å; F132-F172 AromaticContact CZ-CD2 3.92Å; F132-F172 HydrophobicContact CZ-CD2 3.92Å; F132-F172 HydrophobicContact CZ-CE2 4.05Å
133D96.4Very high94.6Very high43 Ų4363.8 Ų63.823%0.2334%0.341CS..  trans-62.4151.1170.9-176.715.6000112.1H135 F136 F172 I174D133-H135 VanDerWaalsContact CG-ND1 3.3Å; D133-H135 PolarHBondContact O-N 3.2Å; D133-H135 IonicContact OD1-CE1 3.66Å; D133-H135 IonicContact OD1-ND1 3.65Å; D133-H135 PolarHBondContact OD1-ND1 3.33Å; D133-H135 IonicContact OD2-CE1 3.46Å; D133-H135 IonicContact OD2-CG 3.92Å; D133-H135 IonicContact OD2-ND1 2.81Å; D133-H135 PolarHBondContact OD2-ND1 3.08Å; D133-F136 HydrophobicContact CB-CD2 4.22Å; D133-F136 HydrophobicContact CB-CE2 4.5Å; D133-F136 WeakPolarHBondContact O-CB 2.73Å; D133-F136 WeakPolarHBondContact O-CD2 3.41Å; D133-F136 PolarHBondContact O-N 3.3Å; D133-F172 WeakPolarHBondContact CB-O 3.43Å; D133-F172 PolarHBondContact N-O 3.34Å; D133-I174 PolarHBondContact OD2-N 2.86Å; D133-I174 VanDerWaalsContact OD2-N 3.11Å
134A96.2Very high94.8Very high73 Ų7363 Ų6360%0.60334%0.337SS*.G310 helixtrans-59.3-36.3-177.100000111.8F136 S137A134-F136 PolarHBondContact O-N 3.48Å; A134-S137 PolarHBondContact O-N 3.01Å; A134-S137 PolarHBondContact O-OG 2.87Å
135H95.6Very high95.1Very high94 Ų9455.6 Ų55.644%0.43531%0.305SS..G310 helixtrans-56.4-20179.5-61.1102.9000114.3D133 S137 D138 L142 I174D133-H135 VanDerWaalsContact CG-ND1 3.3Å; D133-H135 PolarHBondContact O-N 3.2Å; D133-H135 IonicContact OD1-CE1 3.66Å; D133-H135 IonicContact OD1-ND1 3.65Å; D133-H135 PolarHBondContact OD1-ND1 3.33Å; D133-H135 IonicContact OD2-CE1 3.46Å; D133-H135 IonicContact OD2-CG 3.92Å; D133-H135 IonicContact OD2-ND1 2.81Å; D133-H135 PolarHBondContact OD2-ND1 3.08Å; H135-S137 PolarHBondContact O-N 3.1Å; H135-S137 VanDerWaalsContact O-N 3.16Å; H135-D138 WeakPolarHBondContact CA-OD2 3.48Å; H135-D138 IonicContact CD2-OD2 2.96Å; H135-D138 PolarHBondContact CD2-OD2 3.43Å; H135-D138 PolarHBondContact O-N 3.03Å; H135-L142 VanDerWaalsContact O-CD1 3.32Å; H135-L142 WeakPolarHBondContact O-CD1 3.38Å; H135-I174 HydrophobicContact CB-CB 4.16Å; H135-I174 HydrophobicContact CB-CD1 3.96Å; H135-I174 HydrophobicContact CB-CG1 4.44Å
136F95.2Very high95.4Very high0 Ų058.8 Ų58.80%032%0.318CS..G310 helixtrans-63.3-18.2174.5-85-83.3000113.6F132 D133 A134 L142 M143 K146 F149 F172 I174 I179F132-F136 HydrophobicContact CB-CD2 4.25Å; F132-F136 HydrophobicContact CD1-CD2 4.15Å; F132-F136 HydrophobicContact CD1-CE2 4.17Å; F132-F136 HydrophobicContact CD1-CG 4.37Å; F132-F136 HydrophobicContact CD1-CZ 4.4Å; D133-F136 HydrophobicContact CB-CD2 4.22Å; D133-F136 HydrophobicContact CB-CE2 4.5Å; D133-F136 WeakPolarHBondContact O-CB 2.73Å; D133-F136 WeakPolarHBondContact O-CD2 3.41Å; D133-F136 PolarHBondContact O-N 3.3Å; A134-F136 PolarHBondContact O-N 3.48Å; F136-L142 HydrophobicContact CD1-CB 4.29Å; F136-L142 CarbonylContact O-C 3.27Å; F136-L142 VanDerWaalsContact O-C 3.31Å; F136-L142 WeakPolarHBondContact O-CB 3.48Å; F136-M143 WeakPolarHBondContact O-CA 3.33Å; F136-M143 PolarHBondContact O-N 3.25Å; F136-M143 VanDerWaalsContact O-N 3.07Å; F136-K146 HydrophobicContact CB-CB 4.21Å; F136-K146 HydrophobicContact CB-CD 4.03Å; F136-K146 HydrophobicContact CD1-CB 3.92Å; F136-K146 HydrophobicContact CG-CB 4.32Å; F136-F149 HydrophobicContact CE1-CD2 4.24Å; F136-F149 HydrophobicContact CE1-CE2 4.14Å; F136-F149 HydrophobicContact CZ-CE2 4.42Å; F136-F172 HydrophobicContact CE2-CB 3.75Å; F136-F172 WeakPolarHBondContact CE2-O 3.47Å; F136-F172 HydrophobicContact CZ-CB 3.89Å; F136-I174 HydrophobicContact CD1-CD1 4.06Å; F136-I174 HydrophobicContact CD2-CD1 3.72Å; F136-I174 HydrophobicContact CD2-CG1 3.93Å; F136-I174 HydrophobicContact CE1-CD1 4.11Å; F136-I174 HydrophobicContact CE2-CD1 3.76Å; F136-I174 HydrophobicContact CE2-CG1 3.55Å; F136-I174 HydrophobicContact CG-CD1 3.87Å; F136-I174 HydrophobicContact CZ-CD1 3.97Å; F136-I174 HydrophobicContact CZ-CG1 3.89Å; F136-I179 HydrophobicContact CE1-CD1 4.45Å; F136-I179 HydrophobicContact CE1-CG1 4.42Å; F136-I179 HydrophobicContact CZ-CG1 4.05Å; F136-I179 HydrophobicContact CZ-CG2 3.91Å
137S94.8Very high95.6Very high77 Ų7763.5 Ų63.554%0.53834%0.34SS..G310 helixtrans-91.1-12.9-179.5-44.30000113A134 H135A134-S137 PolarHBondContact O-N 3.01Å; A134-S137 PolarHBondContact O-OG 2.87Å; H135-S137 PolarHBondContact O-N 3.1Å; H135-S137 VanDerWaalsContact O-N 3.16Å
138D95Very high95.7Very high114 Ų11459.3 Ų59.361%0.6132%0.324SS*.THydrogen-bonded Turntrans-74.7-39.6-170.3-61.4-14.7000112.9H135H135-D138 WeakPolarHBondContact CA-OD2 3.48Å; H135-D138 IonicContact CD2-OD2 2.96Å; H135-D138 PolarHBondContact CD2-OD2 3.43Å; H135-D138 PolarHBondContact O-N 3.03Å
139Q94Very high95.8Very high90 Ų9058.6 Ų58.642%0.42132%0.32SS..SBendtrans-118.7140.3-175-64.3177.4-28.200110.9F141 L142 M143Q139-F141 VanDerWaalsContact C-N 3.27Å; Q139-F141 HydrophobicContact CB-CD1 3.86Å; Q139-F141 HydrophobicContact CB-CE1 3.63Å; Q139-F141 HydrophobicContact CB-CZ 4.29Å; Q139-F141 HydrophobicContact CG-CE1 4.14Å; Q139-F141 PolarHBondContact O-N 3.1Å; Q139-L142 HydrophobicContact CB-CB 4.41Å; Q139-L142 HydrophobicContact CB-CD1 4.01Å; Q139-L142 HydrophobicContact CB-CG 4.11Å; Q139-L142 HydrophobicContact CG-CD1 4.42Å; Q139-L142 WeakPolarHBondContact O-CA 3.27Å; Q139-L142 WeakPolarHBondContact O-CB 3.27Å; Q139-L142 PolarHBondContact O-N 2.89Å; Q139-M143 PolarHBondContact O-N 3.02Å
140P95.5Very high95.9Very high105 Ų10556.5 Ų56.568%0.68231%0.311SS*.Hα-helixtrans-63-33.7-173.823.7-34.3000112.8L142 M143 L144P140-L142 VanDerWaalsContact C-N 3.33Å; P140-M143 PolarHBondContact O-N 3.42Å; P140-L144 PolarHBondContact O-N 2.91Å
141F94.6Very high95.8Very high42 Ų4257.4 Ų57.418%0.18431%0.314CS..Hα-helixtrans-70.2-31.717675-95000112Q139 L145 L205 I208 F219Q139-F141 VanDerWaalsContact C-N 3.27Å; Q139-F141 HydrophobicContact CB-CD1 3.86Å; Q139-F141 HydrophobicContact CB-CE1 3.63Å; Q139-F141 HydrophobicContact CB-CZ 4.29Å; Q139-F141 HydrophobicContact CG-CE1 4.14Å; Q139-F141 PolarHBondContact O-N 3.1Å; F141-L145 VanDerWaalsContact O-CG 3.31Å; F141-L145 WeakPolarHBondContact O-CG 3.46Å; F141-L145 PolarHBondContact O-N 2.82Å; F141-L205 HydrophobicContact CD2-CD2 3.57Å; F141-L205 HydrophobicContact CE2-CD2 3.68Å; F141-I208 HydrophobicContact CB-CD1 3.93Å; F141-F219 HydrophobicContact CB-CD2 4.33Å; F141-F219 HydrophobicContact CB-CG 4.36Å; F141-F219 HydrophobicContact CD1-CD2 4.05Å; F141-F219 AromaticContact CD1-CE2 3.73Å; F141-F219 HydrophobicContact CD1-CE2 3.73Å; F141-F219 HydrophobicContact CD1-CZ 4.17Å; F141-F219 HydrophobicContact CD2-CE1 4.3Å; F141-F219 HydrophobicContact CD2-CZ 4.27Å; F141-F219 AromaticContact CE1-CE2 3.8Å; F141-F219 HydrophobicContact CE1-CE2 3.8Å; F141-F219 AromaticContact CE1-CZ 3.97Å; F141-F219 HydrophobicContact CE1-CZ 3.97Å; F141-F219 HydrophobicContact CE2-CE1 4.34Å; F141-F219 HydrophobicContact CE2-CZ 4.09Å; F141-F219 HydrophobicContact CG-CD2 4.16Å; F141-F219 HydrophobicContact CG-CE2 4.1Å; F141-F219 HydrophobicContact CG-CG 4.41Å; F141-F219 HydrophobicContact CG-CZ 4.3Å; F141-F219 HydrophobicContact CZ-CE2 4.25Å; F141-F219 AromaticContact CZ-CZ 3.94Å; F141-F219 HydrophobicContact CZ-CZ 3.94Å
142L96Very high95.7Very high15 Ų1554.8 Ų54.88%0.07930%0.295CS..Hα-helixtrans-71.1-39.5174.3-66.4175.9000110.8H135 F136 Q139 P140 L144 L145 K146 I174H135-L142 VanDerWaalsContact O-CD1 3.32Å; H135-L142 WeakPolarHBondContact O-CD1 3.38Å; F136-L142 HydrophobicContact CD1-CB 4.29Å; F136-L142 CarbonylContact O-C 3.27Å; F136-L142 VanDerWaalsContact O-C 3.31Å; F136-L142 WeakPolarHBondContact O-CB 3.48Å; Q139-L142 HydrophobicContact CB-CB 4.41Å; Q139-L142 HydrophobicContact CB-CD1 4.01Å; Q139-L142 HydrophobicContact CB-CG 4.11Å; Q139-L142 HydrophobicContact CG-CD1 4.42Å; Q139-L142 WeakPolarHBondContact O-CA 3.27Å; Q139-L142 WeakPolarHBondContact O-CB 3.27Å; Q139-L142 PolarHBondContact O-N 2.89Å; P140-L142 VanDerWaalsContact C-N 3.33Å; L142-L144 VanDerWaalsContact C-N 3.3Å; L142-L144 PolarHBondContact O-N 2.99Å; L142-L145 HydrophobicContact CD2-CD1 4.49Å; L142-L145 CarbonylContact O-C 3.59Å; L142-L145 WeakPolarHBondContact O-CB 3.41Å; L142-L145 PolarHBondContact O-N 3.43Å; L142-L145 VanDerWaalsContact O-N 3.08Å; L142-K146 PolarHBondContact O-N 3.42Å; L142-I174 HydrophobicContact CD1-CD1 3.72Å; L142-I174 HydrophobicContact CD2-CD1 3.83Å; L142-I174 HydrophobicContact CG-CD1 4.3Å
143M96.6Very high95.6Very high121 Ų12153.1 Ų53.160%0.59629%0.288SS*.Hα-helixtrans-60.2-42.2173.9-170.8-18076.100111.3F136 Q139 P140 L145 K146 E147F136-M143 WeakPolarHBondContact O-CA 3.33Å; F136-M143 PolarHBondContact O-N 3.25Å; F136-M143 VanDerWaalsContact O-N 3.07Å; Q139-M143 PolarHBondContact O-N 3.02Å; P140-M143 PolarHBondContact O-N 3.42Å; M143-L145 VanDerWaalsContact C-N 3.35Å; M143-L145 PolarHBondContact O-N 3.11Å; M143-K146 WeakPolarHBondContact O-CB 3.24Å; M143-K146 PolarHBondContact O-N 3.07Å; M143-E147 PolarHBondContact O-N 3.19Å; M143-E147 VanDerWaalsContact O-N 3.11Å
144L96.1Very high95.5Very high60 Ų6053.2 Ų53.231%0.31429%0.292SS..Hα-helixtrans-60.3-43.8172.6-177.165.4000111.7P101 P140 L142 E147 M148 I208P101-L144 HydrophobicContact CB-CD2 4.5Å; P101-L144 HydrophobicContact CG-CD1 4.2Å; P101-L144 HydrophobicContact CG-CD2 4.3Å; P101-L144 HydrophobicContact CG-CG 4.46Å; P140-L144 PolarHBondContact O-N 2.91Å; L142-L144 VanDerWaalsContact C-N 3.3Å; L142-L144 PolarHBondContact O-N 2.99Å; L144-E147 PolarHBondContact O-N 2.94Å; L144-M148 HydrophobicContact CG-SD 4.46Å; L144-M148 WeakPolarHBondContact O-CG 3.47Å; L144-M148 PolarHBondContact O-N 3.25Å; L144-I208 HydrophobicContact CD2-CD1 4.48Å; L144-I208 HydrophobicContact CD2-CG2 4Å
145L96.7Very high95.3Very high0 Ų049.9 Ų49.90%026%0.264CS..Hα-helixtrans-65.4-39.4177.4-71.9-173.8000112.7A103 F105 F141 L142 M143 E147 M148 F149 I179 L205 I208A103-L145 HydrophobicContact CB-CD2 3.71Å; F105-L145 HydrophobicContact CE1-CD1 3.94Å; F105-L145 HydrophobicContact CE1-CD2 4.4Å; F105-L145 HydrophobicContact CZ-CD1 4.01Å; F105-L145 HydrophobicContact CZ-CD2 3.65Å; F105-L145 HydrophobicContact CZ-CG 4.46Å; F141-L145 VanDerWaalsContact O-CG 3.31Å; F141-L145 WeakPolarHBondContact O-CG 3.46Å; F141-L145 PolarHBondContact O-N 2.82Å; L142-L145 HydrophobicContact CD2-CD1 4.49Å; L142-L145 CarbonylContact O-C 3.59Å; L142-L145 WeakPolarHBondContact O-CB 3.41Å; L142-L145 PolarHBondContact O-N 3.43Å; L142-L145 VanDerWaalsContact O-N 3.08Å; M143-L145 VanDerWaalsContact C-N 3.35Å; M143-L145 PolarHBondContact O-N 3.11Å; L145-E147 VanDerWaalsContact C-N 3.29Å; L145-E147 PolarHBondContact O-N 2.88Å; L145-M148 HydrophobicContact CD2-SD 4.19Å; L145-M148 PolarHBondContact O-N 2.81Å; L145-F149 HydrophobicContact CB-CD2 4.42Å; L145-F149 HydrophobicContact CB-CE2 4.06Å; L145-F149 WeakPolarHBondContact O-CB 3.1Å; L145-F149 WeakPolarHBondContact O-CD2 3.33Å; L145-F149 WeakPolarHBondContact O-CG 3.46Å; L145-F149 PolarHBondContact O-N 3.26Å; L145-I179 HydrophobicContact CD1-CD1 3.87Å; L145-L205 HydrophobicContact CD1-CD1 4.18Å; L145-L205 HydrophobicContact CD1-CD2 3.93Å; L145-I208 HydrophobicContact CD2-CD1 4.27Å; L145-I208 HydrophobicContact CG-CD1 4.39Å
146K97.1Very high95.1Very high71 Ų7145.6 Ų45.631%0.30925%0.245SC..Hα-helixtrans-56.3-46.1173.9178.6178.9177.9178.60110.6F132 F136 L142 M143 F149 T150F132-K146 HydrophobicContact CB-CD 4.46Å; F132-K146 HydrophobicContact CD1-CB 4.45Å; F132-K146 HydrophobicContact CD1-CG 3.87Å; F132-K146 HydrophobicContact CD2-CG 4.17Å; F132-K146 HydrophobicContact CE1-CB 4.46Å; F132-K146 HydrophobicContact CE1-CG 4.02Å; F132-K146 HydrophobicContact CE2-CG 4.28Å; F132-K146 HydrophobicContact CG-CD 4.33Å; F132-K146 HydrophobicContact CG-CG 3.95Å; F132-K146 HydrophobicContact CZ-CG 4.21Å; F136-K146 HydrophobicContact CB-CB 4.21Å; F136-K146 HydrophobicContact CB-CD 4.03Å; F136-K146 HydrophobicContact CD1-CB 3.92Å; F136-K146 HydrophobicContact CG-CB 4.32Å; L142-K146 PolarHBondContact O-N 3.42Å; M143-K146 WeakPolarHBondContact O-CB 3.24Å; M143-K146 PolarHBondContact O-N 3.07Å; K146-F149 PolarHBondContact O-N 3.37Å; K146-T150 WeakPolarHBondContact O-CB 3.48Å; K146-T150 PolarHBondContact O-N 3.23Å; K146-T150 PolarHBondContact O-OG1 3.48Å
147E96.1Very high94.8Very high98 Ų9849 Ų4946%0.45826%0.263SS..Hα-helixtrans-66-45.4177.4-174.955.5-151.800111.7M143 L144 L145 F149 T150 Q151M143-E147 PolarHBondContact O-N 3.19Å; M143-E147 VanDerWaalsContact O-N 3.11Å; L144-E147 PolarHBondContact O-N 2.94Å; L145-E147 VanDerWaalsContact C-N 3.29Å; L145-E147 PolarHBondContact O-N 2.88Å; E147-F149 VanDerWaalsContact C-N 3.34Å; E147-F149 PolarHBondContact O-N 3.3Å; E147-T150 PolarHBondContact O-N 2.66Å; E147-Q151 VanDerWaalsContact O-CG 3.31Å; E147-Q151 WeakPolarHBondContact O-CG 3.43Å; E147-Q151 PolarHBondContact O-N 3.14Å; E147-Q151 WeakPolarHBondContact OE1-CG 3.42Å; E147-Q151 PolarHBondContact OE1-NE2 3.26Å
148M95.8Very high94.3Very high3 Ų348.6 Ų48.62%0.01526%0.255CS..Hα-helixtrans-59.7-42.9176.2-71.1-177.677.100112.5L94 P101 A103 L144 L145 T152L94-M148 HydrophobicContact CB-CE 4.41Å; L94-M148 HydrophobicContact CD2-CB 4Å; L94-M148 HydrophobicContact CD2-CE 4.14Å; L94-M148 HydrophobicContact CG-CE 4Å; L94-M148 WeakPolarHBondContact O-CE 3.41Å; P101-M148 HydrophobicContact CB-SD 4.46Å; P101-M148 HydrophobicContact CG-CE 4.04Å; P101-M148 HydrophobicContact CG-CG 4.2Å; P101-M148 HydrophobicContact CG-SD 3.63Å; A103-M148 HydrophobicContact CB-CE 4.15Å; A103-M148 HydrophobicContact CB-SD 4.2Å; L144-M148 HydrophobicContact CG-SD 4.46Å; L144-M148 WeakPolarHBondContact O-CG 3.47Å; L144-M148 PolarHBondContact O-N 3.25Å; L145-M148 HydrophobicContact CD2-SD 4.19Å; L145-M148 PolarHBondContact O-N 2.81Å; M148-T152 WeakPolarHBondContact O-CB 3.33Å; M148-T152 PolarHBondContact O-N 3.44Å; M148-T152 PolarHBondContact O-OG1 2.64Å
149F96.6Very high94.1Very high0 Ų043.5 Ų43.50%023%0.227CC..Hα-helixtrans-67.6-41.5177.3-67.2-33.8000111.6L94 F105 F132 F136 L145 K146 E147 Q151 T152 F153 F172 I179 L203L94-F149 HydrophobicContact CD2-CD1 3.61Å; L94-F149 HydrophobicContact CD2-CE1 3.67Å; F105-F149 HydrophobicContact CE1-CZ 4.17Å; F105-F149 HydrophobicContact CE2-CE1 4.23Å; F105-F149 HydrophobicContact CE2-CZ 4.3Å; F105-F149 HydrophobicContact CZ-CE1 4.04Å; F105-F149 AromaticContact CZ-CZ 3.68Å; F105-F149 HydrophobicContact CZ-CZ 3.68Å; F132-F149 HydrophobicContact CE1-CB 3.99Å; F132-F149 HydrophobicContact CE1-CD2 4.38Å; F132-F149 HydrophobicContact CZ-CB 4.13Å; F136-F149 HydrophobicContact CE1-CD2 4.24Å; F136-F149 HydrophobicContact CE1-CE2 4.14Å; F136-F149 HydrophobicContact CZ-CE2 4.42Å; L145-F149 HydrophobicContact CB-CD2 4.42Å; L145-F149 HydrophobicContact CB-CE2 4.06Å; L145-F149 WeakPolarHBondContact O-CB 3.1Å; L145-F149 WeakPolarHBondContact O-CD2 3.33Å; L145-F149 WeakPolarHBondContact O-CG 3.46Å; L145-F149 PolarHBondContact O-N 3.26Å; K146-F149 PolarHBondContact O-N 3.37Å; E147-F149 VanDerWaalsContact C-N 3.34Å; E147-F149 PolarHBondContact O-N 3.3Å; F149-Q151 PolarHBondContact O-N 2.96Å; F149-T152 PolarHBondContact O-N 2.96Å; F149-F153 HydrophobicContact CB-CD2 4.08Å; F149-F153 HydrophobicContact CB-CE2 4.49Å; F149-F153 HydrophobicContact CD1-CD2 4.19Å; F149-F153 AromaticContact CD1-CE2 3.76Å; F149-F153 HydrophobicContact CD1-CE2 3.76Å; F149-F153 HydrophobicContact CE1-CE2 4.41Å; F149-F153 HydrophobicContact CG-CD2 4.47Å; F149-F153 HydrophobicContact CG-CE2 4.39Å; F149-F153 WeakPolarHBondContact O-CB 3.19Å; F149-F153 WeakPolarHBondContact O-CD2 3.47Å; F149-F153 PolarHBondContact O-N 3.33Å; F149-F172 HydrophobicContact CB-CE1 4.13Å; F149-F172 HydrophobicContact CB-CZ 4.22Å; F149-F172 HydrophobicContact CD2-CD1 4.01Å; F149-F172 HydrophobicContact CD2-CE1 4.15Å; F149-F172 HydrophobicContact CE2-CD1 4.43Å; F149-F172 HydrophobicContact CG-CD1 4.36Å; F149-F172 HydrophobicContact CG-CE1 4.03Å; F149-I179 HydrophobicContact CE2-CD1 3.97Å; F149-I179 HydrophobicContact CE2-CG2 4.27Å; F149-I179 HydrophobicContact CZ-CD1 4.19Å; F149-L203 HydrophobicContact CE1-CD1 4.24Å; F149-L203 HydrophobicContact CZ-CD1 3.99Å
150T95.7Very high93.9Very high44 Ų4444 Ų4427%0.2724%0.238SC..Hα-helixtrans-57.4-50.7175-59.30000110.4L130 F132 K146 E147 T152 S154L130-T150 HydrophobicContact CD1-CG2 4.32Å; F132-T150 VanDerWaalsContact CE2-OG1 3.29Å; F132-T150 WeakPolarHBondContact CE2-OG1 3.42Å; F132-T150 VanDerWaalsContact CZ-OG1 3.29Å; F132-T150 WeakPolarHBondContact CZ-OG1 3.18Å; K146-T150 WeakPolarHBondContact O-CB 3.48Å; K146-T150 PolarHBondContact O-N 3.23Å; K146-T150 PolarHBondContact O-OG1 3.48Å; E147-T150 PolarHBondContact O-N 2.66Å; T150-T152 VanDerWaalsContact C-N 3.27Å; T150-T152 PolarHBondContact O-N 3.48Å; T150-S154 WeakPolarHBondContact O-CB 3.36Å; T150-S154 PolarHBondContact O-N 3.3Å
151Q94.2Very high93.6Very high59 Ų5944.5 Ų44.528%0.27623%0.227SC..Hα-helixtrans-65.4-29.2-179.9-65.7176.56.500113.7N96 E147 F149N96-Q151 PolarHBondContact ND2-OE1 3Å; E147-Q151 VanDerWaalsContact O-CG 3.31Å; E147-Q151 WeakPolarHBondContact O-CG 3.43Å; E147-Q151 PolarHBondContact O-N 3.14Å; E147-Q151 WeakPolarHBondContact OE1-CG 3.42Å; E147-Q151 PolarHBondContact OE1-NE2 3.26Å; F149-Q151 PolarHBondContact O-N 2.96Å
152T95.3Very high93.5Very high0 Ų043.8 Ų43.80%023%0.227CC..Hα-helixtrans-86.7-51.4-175.6-560000112.1V26 H51 I80 L94 M148 F149 T150V26-T152 HydrophobicContact CG1-CG2 3.97Å; V26-T152 HydrophobicContact CG2-CG2 4.19Å; H51-T152 PolarHBondContact NE2-O 3.01Å; I80-T152 HydrophobicContact CD1-CG2 3.66Å; I80-T152 HydrophobicContact CG1-CG2 3.88Å; L94-T152 HydrophobicContact CD1-CG2 3.63Å; M148-T152 WeakPolarHBondContact O-CB 3.33Å; M148-T152 PolarHBondContact O-N 3.44Å; M148-T152 PolarHBondContact O-OG1 2.64Å; F149-T152 PolarHBondContact O-N 2.96Å; T150-T152 VanDerWaalsContact C-N 3.27Å; T150-T152 PolarHBondContact O-N 3.48Å
153F95.3Very high93.3Very high6 Ų648.3 Ų48.33%0.02625%0.246CC..Hα-helixtrans-87.1-17-173.9-67.2-74.1000113.1L45 M49 L130 F149 V155 L170 F172 M201L45-F153 HydrophobicContact CD2-CE1 4.09Å; M49-F153 HydrophobicContact CE-CD1 4.24Å; M49-F153 HydrophobicContact CE-CE1 4.28Å; M49-F153 HydrophobicContact SD-CD1 3.91Å; M49-F153 HydrophobicContact SD-CE1 4.49Å; L130-F153 HydrophobicContact CD2-CB 4.24Å; F149-F153 HydrophobicContact CB-CD2 4.08Å; F149-F153 HydrophobicContact CB-CE2 4.49Å; F149-F153 HydrophobicContact CD1-CD2 4.19Å; F149-F153 AromaticContact CD1-CE2 3.76Å; F149-F153 HydrophobicContact CD1-CE2 3.76Å; F149-F153 HydrophobicContact CE1-CE2 4.41Å; F149-F153 HydrophobicContact CG-CD2 4.47Å; F149-F153 HydrophobicContact CG-CE2 4.39Å; F149-F153 WeakPolarHBondContact O-CB 3.19Å; F149-F153 WeakPolarHBondContact O-CD2 3.47Å; F149-F153 PolarHBondContact O-N 3.33Å; F153-V155 PolarHBondContact O-N 2.67Å; F153-L170 HydrophobicContact CB-CD2 3.72Å; F153-L170 HydrophobicContact CD1-CD2 3.77Å; F153-L170 HydrophobicContact CD2-CD2 4.47Å; F153-L170 HydrophobicContact CG-CD2 3.74Å; F153-F172 HydrophobicContact CB-CZ 4.31Å; F153-F172 AromaticContact CD2-CE1 3.95Å; F153-F172 HydrophobicContact CD2-CE1 3.95Å; F153-F172 AromaticContact CD2-CZ 3.58Å; F153-F172 HydrophobicContact CD2-CZ 3.58Å; F153-F172 AromaticContact CE2-CE1 3.98Å; F153-F172 HydrophobicContact CE2-CE1 3.98Å; F153-F172 HydrophobicContact CE2-CZ 4.08Å; F153-F172 HydrophobicContact CG-CZ 4.03Å; F153-M201 HydrophobicContact CZ-CE 4.38Å
154S93.1Very high92.9Very high46 Ų4647.6 Ų47.632%0.32225%0.25SS..PPolyproline II helixtrans-66.6131.4171.7-1760000110.3H51 T150H51-S154 PolarHBondContact CE1-O 2.91Å; H51-S154 PolarHBondContact NE2-O 3.46Å; H51-S154 VanDerWaalsContact NE2-O 3.09Å; T150-S154 WeakPolarHBondContact O-CB 3.36Å; T150-S154 PolarHBondContact O-N 3.3Å
155V92.9Very high92.5Very high2 Ų251.7 Ų51.71%0.01227%0.266CS..PPolyproline II helixtrans-89.5123.1173.6174.50000107.8P50 R127 P128 F153 N157P50-V155 HydrophobicContact CG-CB 4.49Å; P50-V155 HydrophobicContact CG-CG1 3.44Å; P50-V155 VanDerWaalsContact CG-CG1 3.44Å; P50-V155 HydrophobicContact CG-CG2 4.25Å; R127-V155 WeakPolarHBondContact CD-O 3.4Å; R127-V155 HydrophobicContact CG-CB 3.84Å; R127-V155 HydrophobicContact CG-CG1 4.23Å; R127-V155 VanDerWaalsContact CG-O 3.31Å; R127-V155 WeakPolarHBondContact CG-O 3.49Å; P128-V155 VanDerWaalsContact CD-CG2 3.48Å; P128-V155 HydrophobicContact CG-CG2 4.24Å; F153-V155 PolarHBondContact O-N 2.67Å; V155-N157 PolarHBondContact O-N 2.96Å
156P91.2Very high92.1Very high5 Ų554.5 Ų54.53%0.03228%0.283CS..PPolyproline II helixtrans-54.9140.2-179.7-27.935000112.9N22 N158 H159N22-P156 HydrophobicContact CB-CB 4.19Å; N22-P156 WeakPolarHBondContact O-CB 3.38Å; N22-P156 VanDerWaalsContact O-CG 3.31Å; N22-P156 WeakPolarHBondContact O-CG 3.48Å; P156-N158 PolarHBondContact O-N 2.97Å; P156-H159 HydrophobicContact CB-CB 4.41Å; P156-H159 WeakPolarHBondContact O-CB 3.39Å; P156-H159 PolarHBondContact O-N 2.82Å
157N87.5Confident91.9Very high71 Ų7152.7 Ų52.738%0.3828%0.276SS..THydrogen-bonded Turntrans-61.5136.6176.3-164.423.2000110.6R127 V155 H159R127-N157 PolarHBondContact NH1-OD1 3.23Å; V155-N157 PolarHBondContact O-N 2.96Å; N157-H159 PolarHBondContact O-N 3.4Å
158N86Confident91.9Very high68 Ų6848.1 Ų48.136%0.36426%0.255SS..THydrogen-bonded Turntrans56.931.2-178.1-56.2-31.1000114.6A18 W20 P156A18-N158 WeakPolarHBondContact CA-ND2 3.45Å; A18-N158 PolarHBondContact O-ND2 3.35Å; A18-N158 VanDerWaalsContact O-ND2 3.12Å; W20-N158 HydrophobicContact CB-CB 4.46Å; P156-N158 PolarHBondContact O-N 2.97Å
159H90Very high91.8Very high8 Ų849.5 Ų49.54%0.03726%0.262CS..  trans-60.1137.8171.9-178.3-87.1000109.8W20 P50 P156 N157 R161 S162W20-H159 AromaticContact CZ2-CD2 3.8Å; P50-H159 PolarHBondContact O-CE1 3.01Å; P156-H159 HydrophobicContact CB-CB 4.41Å; P156-H159 WeakPolarHBondContact O-CB 3.39Å; P156-H159 PolarHBondContact O-N 2.82Å; N157-H159 PolarHBondContact O-N 3.4Å; H159-R161 PolarHBondContact ND1-N 3.23Å; H159-R161 VanDerWaalsContact ND1-N 3.18Å; H159-R161 PolarHBondContact O-N 3.03Å; H159-S162 PolarHBondContact N-OG 3.48Å; H159-S162 PolarHBondContact O-N 2.81Å; H159-S162 PolarHBondContact O-OG 2.85Å
160P89.1Confident91.8Very high99 Ų9950.1 Ų50.164%0.64327%0.265SS*.THydrogen-bonded Turntrans-57.8-24.7-172.8-27.834.4000115.4W20W20-P160 HydrophobicContact CE3-CG 4.09Å; W20-P160 HydrophobicContact CH2-CG 4.5Å; W20-P160 HydrophobicContact CZ3-CG 4.01Å
161R90.6Very high91.9Very high117 Ų11748.7 Ų48.744%0.44226%0.257SS..THydrogen-bonded Turntrans-101.7-2.1177.3-60.1-171.2-68.6-178.3-0.8114P50 A52 R53 H159P50-R161 HydrophobicContact CB-CB 3.87Å; P50-R161 PolarHBondContact O-NE 3.28Å; P50-R161 PolarHBondContact O-NH2 3.17Å; A52-R161 PolarHBondContact O-NH2 2.82Å; R53-R161 VanDerWaalsContact CZ-NH2 3.29Å; H159-R161 PolarHBondContact ND1-N 3.23Å; H159-R161 VanDerWaalsContact ND1-N 3.18Å; H159-R161 PolarHBondContact O-N 3.03Å
162S91.4Very high92Very high27 Ų2745.9 Ų45.919%0.18924%0.244CC..  trans-79.1145.9179.259.60000111.4G125 H159G125-S162 WeakPolarHBondContact O-CA 3.21Å; H159-S162 PolarHBondContact N-OG 3.48Å; H159-S162 PolarHBondContact O-N 2.81Å; H159-S162 PolarHBondContact O-OG 2.85Å
163K91.5Very high92.1Very high109 Ų10948 Ų4847%0.47426%0.259SS..BIsolated β-bridgetrans-86.4148.5171.2-60-60.8-174.7175.50110.2L123 G125L123-K163 HydrophobicContact CD1-CB 4.44Å; G125-K163 PolarHBondContact O-N 3.4Å; G125-K163 VanDerWaalsContact O-N 3.14Å
164P87.9Confident92.2Very high107 Ų10749.2 Ų49.270%0.69527%0.265SS*.SBendtrans-72.1-28.8-173.427.6-34.7000113.4
165F88Confident92.2Very high146 Ų14654.9 Ų54.964%0.6428%0.281SS*.SBendtrans-81.7148.5-177.5-54.7-66000112.4L123 S126L123-F165 HydrophobicContact CD1-CB 4.35Å; L123-F165 HydrophobicContact CD1-CD2 4.3Å; S126-F165 VanDerWaalsContact CB-O 3.3Å; S126-F165 WeakPolarHBondContact CB-O 3.37Å
166V89.6Confident92.2Very high59 Ų5959.8 Ų59.836%0.35831%0.307SS..  trans-97.3111.1172.2176.90000107.4L129L129-V166 HydrophobicContact CD1-CG1 3.97Å; L129-V166 HydrophobicContact CD2-CG1 3.99Å; L129-V166 HydrophobicContact CG-CG1 3.57Å
167D92.2Very high92.2Very high32 Ų3264 Ų6417%0.17133%0.33CS..  trans-116.4-15.4-170.3-165.723.5000112.7C122 L123 V186C122-D167 WeakPolarHBondContact CA-OD2 3.44Å; C122-D167 HydrophobicContact CB-CB 4.38Å; L123-D167 HydrophobicContact CB-CB 4.48Å; L123-D167 PolarHBondContact N-OD2 2.68Å; D167-V186 PolarHBondContact O-N 2.9Å
168H94.9Very high92.6Very high3 Ų364.1 Ų64.11%0.01433%0.325CS..EExtended strand (participates in β ladder)trans-147.2159.3-176.167.8-86.3000114.1C122 S126 P128 L129 N183 Y184 I197C122-H168 HydrophobicContact CB-CB 3.86Å; S126-H168 PolarHBondContact O-CE1 2.78Å; S126-H168 PolarHBondContact OG-CE1 2.85Å; S126-H168 PolarHBondContact OG-ND1 2.93Å; P128-H168 WeakPolarHBondContact CA-O 3.09Å; P128-H168 WeakPolarHBondContact CB-NE2 3.36Å; L129-H168 PolarHBondContact N-O 2.71Å; H168-N183 PolarHBondContact CD2-OD1 3.05Å; H168-Y184 CarbonylContact C-O 3.52Å; H168-Y184 WeakPolarHBondContact CA-O 3.26Å; H168-Y184 VanDerWaalsContact CB-O 3.23Å; H168-Y184 WeakPolarHBondContact CB-O 3.21Å; H168-I197 HydrophobicContact CB-CD1 3.71Å
169I95.3Very high93.1Very high31 Ų3161.2 Ų61.216%0.15931%0.309CS..EExtended strand (participates in β ladder)trans-122.1124-178.9-50.4-176.6000108.7L129 N183 Y184 V186 L194L129-I169 HydrophobicContact CB-CB 4.49Å; L129-I169 HydrophobicContact CB-CG1 4.16Å; L129-I169 HydrophobicContact CB-CG2 4.26Å; L129-I169 HydrophobicContact CD1-CD1 4.44Å; L129-I169 HydrophobicContact CD1-CG1 4.28Å; L129-I169 CarbonylContact O-C 3.53Å; L129-I169 WeakPolarHBondContact O-CA 3.4Å; I169-N183 WeakPolarHBondContact O-CA 3.44Å; I169-N183 PolarHBondContact O-OD1 3.22Å; I169-Y184 PolarHBondContact N-O 3.27Å; I169-Y184 PolarHBondContact O-N 3.38Å; I169-V186 HydrophobicContact CD1-CG2 3.88Å; I169-V186 HydrophobicContact CG1-CG2 3.69Å; I169-L194 HydrophobicContact CD1-CD1 4.29Å; I169-L194 HydrophobicContact CD1-CD2 3.84Å
170L96.2Very high93.5Very high13 Ų1364.5 Ų64.57%0.06832%0.321CS..EExtended strand (participates in β ladder)trans-95.9109.6169.6-168.368.5000109P128 L129 L130 S131 F153 F172 I181 N183P128-L170 HydrophobicContact CB-CB 4.45Å; L129-L170 PolarHBondContact O-N 3.5Å; L130-L170 WeakPolarHBondContact CA-O 3.43Å; L130-L170 HydrophobicContact CD2-CB 3.93Å; L130-L170 HydrophobicContact CD2-CD2 4.13Å; S131-L170 PolarHBondContact N-O 2.88Å; F153-L170 HydrophobicContact CB-CD2 3.72Å; F153-L170 HydrophobicContact CD1-CD2 3.77Å; F153-L170 HydrophobicContact CD2-CD2 4.47Å; F153-L170 HydrophobicContact CG-CD2 3.74Å; L170-F172 HydrophobicContact CB-CE2 4.4Å; L170-F172 HydrophobicContact CD2-CE1 4.48Å; L170-F172 HydrophobicContact CD2-CE2 3.82Å; L170-F172 HydrophobicContact CD2-CZ 3.48Å; L170-F172 VanDerWaalsContact CD2-CZ 3.48Å; L170-F172 HydrophobicContact CG-CE2 3.87Å; L170-F172 HydrophobicContact CG-CZ 3.88Å; L170-I181 HydrophobicContact CD1-CG2 3.73Å; L170-I181 HydrophobicContact CG-CG2 4.31Å; L170-N183 HydrophobicContact CD1-CB 4.16Å
171S96.9Very high93.9Very high15 Ų1559.9 Ų59.911%0.10529%0.291CS..EExtended strand (participates in β ladder)trans-97.1132.2-178.3-173.90000111.5S131 I181 R182S131-S171 CarbonylContact O-C 3.57Å; S131-S171 WeakPolarHBondContact O-CA 3.44Å; S171-I181 WeakPolarHBondContact O-CA 3.26Å; S171-R182 PolarHBondContact N-O 3.21Å; S171-R182 PolarHBondContact O-N 3.32Å
172F97.7Very high94.2Very high0 Ų056.1 Ų56.10%028%0.277CS..EExtended strand (participates in β ladder)trans-115109.9173-58.6-93.4000108.8L130 S131 F132 D133 F136 F149 F153 L170 I179 W180 I181L130-F172 HydrophobicContact CD2-CE2 4.22Å; S131-F172 PolarHBondContact O-N 3.12Å; F132-F172 HydrophobicContact CD1-CB 3.76Å; F132-F172 AromaticContact CD1-CD2 3.85Å; F132-F172 HydrophobicContact CD1-CD2 3.85Å; F132-F172 AromaticContact CD1-CG 3.96Å; F132-F172 HydrophobicContact CD1-CG 3.96Å; F132-F172 HydrophobicContact CE1-CB 4.06Å; F132-F172 HydrophobicContact CE1-CD1 4.42Å; F132-F172 AromaticContact CE1-CD2 3.49Å; F132-F172 HydrophobicContact CE1-CD2 3.49Å; F132-F172 VanDerWaalsContact CE1-CD2 3.49Å; F132-F172 HydrophobicContact CE1-CE2 4Å; F132-F172 AromaticContact CE1-CG 3.75Å; F132-F172 HydrophobicContact CE1-CG 3.75Å; F132-F172 AromaticContact CZ-CD2 3.92Å; F132-F172 HydrophobicContact CZ-CD2 3.92Å; F132-F172 HydrophobicContact CZ-CE2 4.05Å; D133-F172 WeakPolarHBondContact CB-O 3.43Å; D133-F172 PolarHBondContact N-O 3.34Å; F136-F172 HydrophobicContact CE2-CB 3.75Å; F136-F172 WeakPolarHBondContact CE2-O 3.47Å; F136-F172 HydrophobicContact CZ-CB 3.89Å; F149-F172 HydrophobicContact CB-CE1 4.13Å; F149-F172 HydrophobicContact CB-CZ 4.22Å; F149-F172 HydrophobicContact CD2-CD1 4.01Å; F149-F172 HydrophobicContact CD2-CE1 4.15Å; F149-F172 HydrophobicContact CE2-CD1 4.43Å; F149-F172 HydrophobicContact CG-CD1 4.36Å; F149-F172 HydrophobicContact CG-CE1 4.03Å; F153-F172 HydrophobicContact CB-CZ 4.31Å; F153-F172 AromaticContact CD2-CE1 3.95Å; F153-F172 HydrophobicContact CD2-CE1 3.95Å; F153-F172 AromaticContact CD2-CZ 3.58Å; F153-F172 HydrophobicContact CD2-CZ 3.58Å; F153-F172 AromaticContact CE2-CE1 3.98Å; F153-F172 HydrophobicContact CE2-CE1 3.98Å; F153-F172 HydrophobicContact CE2-CZ 4.08Å; F153-F172 HydrophobicContact CG-CZ 4.03Å; L170-F172 HydrophobicContact CB-CE2 4.4Å; L170-F172 HydrophobicContact CD2-CE1 4.48Å; L170-F172 HydrophobicContact CD2-CE2 3.82Å; L170-F172 HydrophobicContact CD2-CZ 3.48Å; L170-F172 VanDerWaalsContact CD2-CZ 3.48Å; L170-F172 HydrophobicContact CG-CE2 3.87Å; L170-F172 HydrophobicContact CG-CZ 3.88Å; F172-I179 HydrophobicContact CD1-CG2 4.33Å; F172-W180 WeakPolarHBondContact CA-O 3.28Å; F172-I181 HydrophobicContact CD1-CD1 3.95Å; F172-I181 HydrophobicContact CD1-CG1 3.68Å; F172-I181 HydrophobicContact CE1-CD1 3.7Å; F172-I181 HydrophobicContact CE1-CG1 3.85Å; F172-I181 HydrophobicContact CE1-CG2 4.41Å
173S97.2Very high94.4Very high45 Ų4554.8 Ų54.832%0.31527%0.268SS..EExtended strand (participates in β ladder)trans-119.3142.5-178.9-50.60000110.9I179 W180S173-I179 CarbonylContact O-C 3.51Å; S173-I179 WeakPolarHBondContact O-CA 3.49Å; S173-W180 PolarHBondContact N-O 3.15Å; S173-W180 PolarHBondContact O-N 2.92Å
174I96.4Very high94.6Very high30 Ų3052.6 Ų52.615%0.15426%0.257CS..EExtended strand (participates in β ladder)trans-102.6125.1179.1-58.1-177.3000108.8D133 H135 F136 L142 R178 I179D133-I174 PolarHBondContact OD2-N 2.86Å; D133-I174 VanDerWaalsContact OD2-N 3.11Å; H135-I174 HydrophobicContact CB-CB 4.16Å; H135-I174 HydrophobicContact CB-CD1 3.96Å; H135-I174 HydrophobicContact CB-CG1 4.44Å; F136-I174 HydrophobicContact CD1-CD1 4.06Å; F136-I174 HydrophobicContact CD2-CD1 3.72Å; F136-I174 HydrophobicContact CD2-CG1 3.93Å; F136-I174 HydrophobicContact CE1-CD1 4.11Å; F136-I174 HydrophobicContact CE2-CD1 3.76Å; F136-I174 HydrophobicContact CE2-CG1 3.55Å; F136-I174 HydrophobicContact CG-CD1 3.87Å; F136-I174 HydrophobicContact CZ-CD1 3.97Å; F136-I174 HydrophobicContact CZ-CG1 3.89Å; L142-I174 HydrophobicContact CD1-CD1 3.72Å; L142-I174 HydrophobicContact CD2-CD1 3.83Å; L142-I174 HydrophobicContact CG-CD1 4.3Å; I174-R178 WeakPolarHBondContact CA-O 3.26Å; I174-I179 HydrophobicContact CG1-CG1 4.33Å
175Y94.5Very high94.9Very high166 Ų16649.4 Ų49.465%0.65123%0.233SC*.EExtended strand (participates in β ladder)trans-149.3129.4176-173.9-97.1000110D177 R178 W180Y175-D177 PolarHBondContact O-N 3.42Å; Y175-R178 PolarHBondContact N-O 3.08Å; Y175-R178 WeakPolarHBondContact O-CB 3.45Å; Y175-R178 PolarHBondContact O-N 2.82Å; Y175-R178 VanDerWaalsContact O-N 3.09Å; Y175-W180 HydrophobicContact CD1-CZ2 4.39Å; Y175-W180 PolarHBondContact O-NE1 3.32Å
176D92.8Very high95.2Very high105 Ų10543.7 Ų43.756%0.56121%0.209SC*.THydrogen-bonded Turntrans53.549.4-178.3-174.446.9000112.8R178D176-R178 WeakPolarHBondContact O-CG 3.35Å; D176-R178 PolarHBondContact O-N 3.45Å; D176-R178 IonicContact OD2-CZ 3.32Å; D176-R178 IonicContact OD2-NE 3.28Å; D176-R178 IonicContact OD2-NH2 3.54Å; D176-R178 PolarHBondContact OD2-NH2 2.95Å
177D91.4Very high95.2Very high94 Ų9443.4 Ų43.450%0.50321%0.208SC..THydrogen-bonded Turntrans53.922.7-175.6-63.9-27.6000114.7Y175 N223Y175-D177 PolarHBondContact O-N 3.42Å; D177-N223 PolarHBondContact OD2-ND2 2.89Å
178R95.4Very high94.9Very high73 Ų7345.3 Ų45.328%0.27522%0.218SC..EExtended strand (participates in β ladder)trans-124146.1178.3-63.8176.3-141.6-174.719.9110.3I174 Y175 D176 T202 L203 N204I174-R178 WeakPolarHBondContact CA-O 3.26Å; Y175-R178 PolarHBondContact N-O 3.08Å; Y175-R178 WeakPolarHBondContact O-CB 3.45Å; Y175-R178 PolarHBondContact O-N 2.82Å; Y175-R178 VanDerWaalsContact O-N 3.09Å; D176-R178 WeakPolarHBondContact O-CG 3.35Å; D176-R178 PolarHBondContact O-N 3.45Å; D176-R178 IonicContact OD2-CZ 3.32Å; D176-R178 IonicContact OD2-NE 3.28Å; D176-R178 IonicContact OD2-NH2 3.54Å; D176-R178 PolarHBondContact OD2-NH2 2.95Å; R178-T202 HydrophobicContact CB-CG2 3.6Å; R178-T202 HydrophobicContact CG-CG2 4.19Å; R178-L203 WeakPolarHBondContact CA-O 3.23Å; R178-N204 HydrophobicContact CG-CB 4.1Å
179I97.1Very high94.2Very high6 Ų650.6 Ų50.63%0.03125%0.252CS..EExtended strand (participates in β ladder)trans-95.5118.4177.5-61.9149.4000108F105 F136 L145 F149 F172 S173 I174 I181 T202 L203F105-I179 HydrophobicContact CE1-CD1 4.16Å; F136-I179 HydrophobicContact CE1-CD1 4.45Å; F136-I179 HydrophobicContact CE1-CG1 4.42Å; F136-I179 HydrophobicContact CZ-CG1 4.05Å; F136-I179 HydrophobicContact CZ-CG2 3.91Å; L145-I179 HydrophobicContact CD1-CD1 3.87Å; F149-I179 HydrophobicContact CE2-CD1 3.97Å; F149-I179 HydrophobicContact CE2-CG2 4.27Å; F149-I179 HydrophobicContact CZ-CD1 4.19Å; F172-I179 HydrophobicContact CD1-CG2 4.33Å; S173-I179 CarbonylContact O-C 3.51Å; S173-I179 WeakPolarHBondContact O-CA 3.49Å; I174-I179 HydrophobicContact CG1-CG1 4.33Å; I179-I181 HydrophobicContact CG2-CG1 4.19Å; I179-T202 CarbonylContact O-C 3.52Å; I179-T202 WeakPolarHBondContact O-CA 3.34Å; I179-L203 HydrophobicContact CB-CB 4.26Å; I179-L203 PolarHBondContact N-O 3.36Å; I179-L203 PolarHBondContact O-N 3.41Å
180W97.7Very high93.8Very high77 Ų7755.5 Ų55.529%0.29228%0.284SS..EExtended strand (participates in β ladder)trans-94.3124176.8-68.263.3000108.3F172 S173 Y175F172-W180 WeakPolarHBondContact CA-O 3.28Å; S173-W180 PolarHBondContact N-O 3.15Å; S173-W180 PolarHBondContact O-N 2.92Å; Y175-W180 HydrophobicContact CD1-CZ2 4.39Å; Y175-W180 PolarHBondContact O-NE1 3.32Å
181I97.2Very high93.2Very high3 Ų360 Ų602%0.01531%0.308CS..EExtended strand (participates in β ladder)trans-111124.4177.9-60.4176.1000108L170 S171 F172 I179 M201 L203L170-I181 HydrophobicContact CD1-CG2 3.73Å; L170-I181 HydrophobicContact CG-CG2 4.31Å; S171-I181 WeakPolarHBondContact O-CA 3.26Å; F172-I181 HydrophobicContact CD1-CD1 3.95Å; F172-I181 HydrophobicContact CD1-CG1 3.68Å; F172-I181 HydrophobicContact CE1-CD1 3.7Å; F172-I181 HydrophobicContact CE1-CG1 3.85Å; F172-I181 HydrophobicContact CE1-CG2 4.41Å; I179-I181 HydrophobicContact CG2-CG1 4.19Å; I181-M201 HydrophobicContact CB-CE 4.26Å; I181-M201 HydrophobicContact CB-CG 3.89Å; I181-M201 HydrophobicContact CD1-CE 3.58Å; I181-M201 HydrophobicContact CD1-CG 4.28Å; I181-M201 HydrophobicContact CG1-CE 4.5Å; I181-M201 HydrophobicContact CG2-CE 4.05Å; I181-M201 HydrophobicContact CG2-CG 4.45Å; I181-M201 PolarHBondContact N-O 3.31Å; I181-M201 PolarHBondContact O-N 2.79Å; I181-M201 VanDerWaalsContact O-N 3.14Å; I181-L203 HydrophobicContact CD1-CD1 3.41Å; I181-L203 VanDerWaalsContact CD1-CD1 3.41Å; I181-L203 HydrophobicContact CD1-CG 3.91Å; I181-L203 HydrophobicContact CG1-CD1 4.47Å
182R96Very high92.6Very high37 Ų3761.9 Ų61.914%0.1433%0.33CS..EExtended strand (participates in β ladder)trans-135.5145-177.6-56.7-66.6165.1154.7-3.8109.5S171 Y184 E196 R200S171-R182 PolarHBondContact N-O 3.21Å; S171-R182 PolarHBondContact O-N 3.32Å; R182-Y184 HydrophobicContact CB-CD2 4.46Å; R182-Y184 HydrophobicContact CB-CE2 3.64Å; R182-E196 VanDerWaalsContact CD-OE1 3.32Å; R182-E196 WeakPolarHBondContact CD-OE1 3.14Å; R182-E196 IonicContact NH1-OE1 3.5Å; R182-E196 PolarHBondContact NH1-OE1 2.95Å; R182-R200 VanDerWaalsContact NH1-CG 3.25Å; R182-R200 VanDerWaalsContact NH1-NE 3.13Å
183N95.7Very high92.3Very high0 Ų065.3 Ų65.30%035%0.351CS..EExtended strand (participates in β ladder)trans-123.1122.3-179.9-174.226.2000109.4H168 I169 L170 E196 I197 G198H168-N183 PolarHBondContact CD2-OD1 3.05Å; I169-N183 WeakPolarHBondContact O-CA 3.44Å; I169-N183 PolarHBondContact O-OD1 3.22Å; L170-N183 HydrophobicContact CD1-CB 4.16Å; N183-E196 WeakPolarHBondContact O-CG 3.48Å; N183-I197 PolarHBondContact O-N 2.74Å; N183-G198 WeakPolarHBondContact CB-O 3.1Å; N183-G198 PolarHBondContact ND2-O 3.01Å; N183-G198 PolarHBondContact O-N 2.9Å
184Y95.9Very high92.1Very high63 Ų6367.1 Ų67.125%0.24736%0.357CS..EExtended strand (participates in β ladder)trans-119.9137.5-175.8-57.2-74.1000111.1H168 I169 R182 L194 E195 E196H168-Y184 CarbonylContact C-O 3.52Å; H168-Y184 WeakPolarHBondContact CA-O 3.26Å; H168-Y184 VanDerWaalsContact CB-O 3.23Å; H168-Y184 WeakPolarHBondContact CB-O 3.21Å; I169-Y184 PolarHBondContact N-O 3.27Å; I169-Y184 PolarHBondContact O-N 3.38Å; R182-Y184 HydrophobicContact CB-CD2 4.46Å; R182-Y184 HydrophobicContact CB-CE2 3.64Å; Y184-L194 HydrophobicContact CG-CB 4.48Å; Y184-E195 CarbonylContact C-O 3.58Å; Y184-E195 WeakPolarHBondContact CA-O 3.46Å; Y184-E196 HydrophobicContact CD1-CB 4Å; Y184-E196 HydrophobicContact CD1-CG 3.95Å; Y184-E196 HydrophobicContact CE1-CB 4.09Å; Y184-E196 HydrophobicContact CE1-CG 3.83Å
185Q95.1Very high92Very high40 Ų4069.3 Ų69.319%0.18737%0.366CS..EExtended strand (participates in β ladder)trans-75.8139.7167.6-177.3177.5400109.5G120 N121 V187 L194 E195 I197G120-Q185 VanDerWaalsContact CA-OE1 3.31Å; N121-Q185 WeakPolarHBondContact O-CB 3.3Å; N121-Q185 WeakPolarHBondContact O-CG 3.46Å; N121-Q185 PolarHBondContact O-NE2 2.71Å; N121-Q185 PolarHBondContact O-OE1 3.19Å; N121-Q185 VanDerWaalsContact O-OE1 3.12Å; Q185-V187 HydrophobicContact CG-CG2 4.32Å; Q185-V187 PolarHBondContact O-N 2.81Å; Q185-L194 WeakPolarHBondContact O-CA 3.49Å; Q185-L194 WeakPolarHBondContact O-CD2 3.49Å; Q185-E195 HydrophobicContact CB-CB 4.47Å; Q185-E195 PolarHBondContact N-O 3.39Å; Q185-E195 PolarHBondContact O-N 3.49Å; Q185-I197 HydrophobicContact CB-CD1 3.73Å; Q185-I197 HydrophobicContact CB-CG1 3.73Å; Q185-I197 VanDerWaalsContact N-CD1 3.27Å
186V93.6Very high92Very high25 Ų2563.1 Ų63.115%0.15234%0.343CS..EExtended strand (participates in β ladder)trans-88.8100166.9-1760000107.3D167 I169 P189 L194D167-V186 PolarHBondContact O-N 2.9Å; I169-V186 HydrophobicContact CD1-CG2 3.88Å; I169-V186 HydrophobicContact CG1-CG2 3.69Å; V186-P189 HydrophobicContact CG1-CB 4.41Å; V186-P189 HydrophobicContact CG1-CG 4.09Å; V186-L194 HydrophobicContact CG2-CD2 4.15Å
187V90.9Very high92.1Very high53 Ų5358.4 Ų58.432%0.32132%0.318SS..EExtended strand (participates in β ladder)trans-73.8-57.2-177.3-179.70000110Q185 V193 E195Q185-V187 HydrophobicContact CG-CG2 4.32Å; Q185-V187 PolarHBondContact O-N 2.81Å; V187-V193 PolarHBondContact N-O 3.05Å; V187-E195 HydrophobicContact CG2-CB 4Å; V187-E195 HydrophobicContact CG2-CG 3.74Å
188N85.5Confident92Very high73 Ų7354 Ų5439%0.3929%0.294SS..EExtended strand (participates in β ladder)trans-124.9111.8176.4-72.1-14.3000109T190 D191 G192N188-T190 PolarHBondContact O-N 2.85Å; N188-D191 HydrophobicContact CB-CB 4.03Å; N188-D191 WeakPolarHBondContact CB-OD2 3.3Å; N188-D191 PolarHBondContact ND2-OD2 2.87Å; N188-D191 PolarHBondContact O-N 2.76Å; N188-G192 PolarHBondContact O-N 2.89Å
189P80.4Confident92Very high113 Ų11350.6 Ų50.673%0.73428%0.282SS*.THydrogen-bonded Turntrans-58.1-30.3178.2-26.334.6000113.7V186V186-P189 HydrophobicContact CG1-CB 4.41Å; V186-P189 HydrophobicContact CG1-CG 4.09Å
190T86.3Confident91.9Very high134 Ų13452.2 Ų52.282%0.82229%0.288SS*.THydrogen-bonded Turntrans-75.5-38.9-178.8-45.40000112.8N188N188-T190 PolarHBondContact O-N 2.85Å
191D82.9Confident91.8Very high107 Ų10748.6 Ų48.657%0.57227%0.274SS*.THydrogen-bonded Turntrans-90.5-13.3-172.7-55.3-32.6000112.7N188 V193N188-D191 HydrophobicContact CB-CB 4.03Å; N188-D191 WeakPolarHBondContact CB-OD2 3.3Å; N188-D191 PolarHBondContact ND2-OD2 2.87Å; N188-D191 PolarHBondContact O-N 2.76Å; D191-V193 HydrophobicContact CB-CG2 3.92Å; D191-V193 PolarHBondContact O-N 2.89Å
192G84.3Confident91.9Very high56 Ų5648.4 Ų48.458%0.57727%0.273SS*.THydrogen-bonded Turntrans68.517.2-177.500000114.2N188N188-G192 PolarHBondContact O-N 2.89Å
193V91.2Very high91.9Very high72 Ų7246.7 Ų46.744%0.43627%0.267SS..EExtended strand (participates in β ladder)trans-75.8126178.7179.70000110V187 D191V187-V193 PolarHBondContact N-O 3.05Å; D191-V193 HydrophobicContact CB-CG2 3.92Å; D191-V193 PolarHBondContact O-N 2.89Å
194L93.4Very high92Very high82 Ų8247.6 Ų47.643%0.42927%0.271SS..EExtended strand (participates in β ladder)trans-117.8132-178.3-62.7-178.6000110.8I169 Y184 Q185 V186I169-L194 HydrophobicContact CD1-CD1 4.29Å; I169-L194 HydrophobicContact CD1-CD2 3.84Å; Y184-L194 HydrophobicContact CG-CB 4.48Å; Q185-L194 WeakPolarHBondContact O-CA 3.49Å; Q185-L194 WeakPolarHBondContact O-CD2 3.49Å; V186-L194 HydrophobicContact CG2-CD2 4.15Å
195E94.4Very high92Very high76 Ų7644.9 Ų44.936%0.35526%0.261SS..EExtended strand (participates in β ladder)trans-114.7145.8173.3-76.5-170.5-160.800111T119 Y184 Q185 V187T119-E195 PolarHBondContact OG1-OE2 2.85Å; Y184-E195 CarbonylContact C-O 3.58Å; Y184-E195 WeakPolarHBondContact CA-O 3.46Å; Q185-E195 HydrophobicContact CB-CB 4.47Å; Q185-E195 PolarHBondContact N-O 3.39Å; Q185-E195 PolarHBondContact O-N 3.49Å; V187-E195 HydrophobicContact CG2-CB 4Å; V187-E195 HydrophobicContact CG2-CG 3.74Å
196E94.9Very high92.1Very high37 Ų3743.8 Ų43.817%0.17326%0.257CS..EExtended strand (participates in β ladder)trans-87.5126.5-175.4-157.3170.5172.500112.6L118 T119 G120 R182 N183 Y184 R200L118-E196 CarbonylContact C-O 3.53Å; L118-E196 WeakPolarHBondContact CA-O 3.27Å; L118-E196 HydrophobicContact CD2-CB 3.9Å; L118-E196 HydrophobicContact CD2-CG 3.73Å; T119-E196 PolarHBondContact N-O 3.48Å; G120-E196 PolarHBondContact N-O 3.31Å; R182-E196 VanDerWaalsContact CD-OE1 3.32Å; R182-E196 WeakPolarHBondContact CD-OE1 3.14Å; R182-E196 IonicContact NH1-OE1 3.5Å; R182-E196 PolarHBondContact NH1-OE1 2.95Å; N183-E196 WeakPolarHBondContact O-CG 3.48Å; Y184-E196 HydrophobicContact CD1-CB 4Å; Y184-E196 HydrophobicContact CD1-CG 3.95Å; Y184-E196 HydrophobicContact CE1-CB 4.09Å; Y184-E196 HydrophobicContact CE1-CG 3.83Å; E196-R200 VanDerWaalsContact CD-NH2 3.25Å; E196-R200 WeakPolarHBondContact OE1-CD 3.29Å; E196-R200 WeakPolarHBondContact OE1-CG 3.5Å; E196-R200 IonicContact OE1-CZ 3.78Å; E196-R200 IonicContact OE1-NE 2.77Å; E196-R200 PolarHBondContact OE1-NE 2.92Å; E196-R200 IonicContact OE1-NH2 3.38Å; E196-R200 IonicContact OE2-CZ 2.75Å; E196-R200 VanDerWaalsContact OE2-CZ 3.28Å; E196-R200 IonicContact OE2-NE 3.93Å; E196-R200 PolarHBondContact OE2-NE 3.29Å; E196-R200 IonicContact OE2-NH2 2.72Å; E196-R200 PolarHBondContact OE2-NH2 3.11Å
197I94.3Very high92.3Very high6 Ų643.9 Ų43.93%0.03126%0.257CS..  trans-95.7-43.1-179.9-54.7156.7000111M113 L118 C122 H168 N183 Q185M113-I197 HydrophobicContact CE-CG2 4.49Å; L118-I197 WeakPolarHBondContact CB-O 3.42Å; L118-I197 WeakPolarHBondContact CD1-O 3.23Å; C122-I197 HydrophobicContact CB-CD1 3.62Å; H168-I197 HydrophobicContact CB-CD1 3.71Å; N183-I197 PolarHBondContact O-N 2.74Å; Q185-I197 HydrophobicContact CB-CD1 3.73Å; Q185-I197 HydrophobicContact CB-CG1 3.73Å; Q185-I197 VanDerWaalsContact N-CD1 3.27Å
198G90.1Very high92.6Very high0 Ų041.4 Ų41.40%024%0.242CC..SBendtrans87.1173-163.200000114.1M113 N183M113-G198 WeakPolarHBondContact CE-O 3.4Å; N183-G198 WeakPolarHBondContact CB-O 3.1Å; N183-G198 PolarHBondContact ND2-O 3.01Å; N183-G198 PolarHBondContact O-N 2.9Å
199P95.6Very high93.1Very high3 Ų339.8 Ų39.82%0.01923%0.232CC..  cis-74.1156.91.732.1-35.9000112.6L41 D44 L45 H111L41-P199 HydrophobicContact CD1-CB 3.49Å; L41-P199 VanDerWaalsContact CD1-CB 3.49Å; L41-P199 HydrophobicContact CD1-CG 3.82Å; D44-P199 HydrophobicContact CB-CB 4.35Å; D44-P199 HydrophobicContact CB-CG 4.09Å; L45-P199 HydrophobicContact CD2-CG 4.2Å; H111-P199 CarbonylContact O-C 3.54Å; H111-P199 VanDerWaalsContact O-CA 3.27Å; H111-P199 WeakPolarHBondContact O-CA 3.5Å; H111-P199 WeakPolarHBondContact O-CB 3.44Å
200R94.8Very high93.8Very high39 Ų3935.6 Ų35.615%0.14721%0.209CC..EExtended strand (participates in β ladder)trans-105.1137.8170.8-47.8161.9148.6159.410.7108.9V110 H111 R182 E196V110-R200 WeakPolarHBondContact CA-O 3.41Å; H111-R200 HydrophobicContact CB-CB 3.86Å; H111-R200 HydrophobicContact CB-CG 4.03Å; H111-R200 PolarHBondContact N-O 3.46Å; H111-R200 PolarHBondContact O-N 3.09Å; R182-R200 VanDerWaalsContact NH1-CG 3.25Å; R182-R200 VanDerWaalsContact NH1-NE 3.13Å; E196-R200 VanDerWaalsContact CD-NH2 3.25Å; E196-R200 WeakPolarHBondContact OE1-CD 3.29Å; E196-R200 WeakPolarHBondContact OE1-CG 3.5Å; E196-R200 IonicContact OE1-CZ 3.78Å; E196-R200 IonicContact OE1-NE 2.77Å; E196-R200 PolarHBondContact OE1-NE 2.92Å; E196-R200 IonicContact OE1-NH2 3.38Å; E196-R200 IonicContact OE2-CZ 2.75Å; E196-R200 VanDerWaalsContact OE2-CZ 3.28Å; E196-R200 IonicContact OE2-NE 3.93Å; E196-R200 PolarHBondContact OE2-NE 3.29Å; E196-R200 IonicContact OE2-NH2 2.72Å; E196-R200 PolarHBondContact OE2-NH2 3.11Å
201M96.3Very high94.2Very high1 Ų129.9 Ų29.91%0.00518%0.177CC..EExtended strand (participates in β ladder)trans-154154.2170.357.4-173.4172.800111.7L41 L45 V107 V110 F153 I181 L203L41-M201 HydrophobicContact CD1-SD 4.13Å; L41-M201 HydrophobicContact CD2-SD 4.16Å; L45-M201 HydrophobicContact CD1-CE 4.41Å; L45-M201 HydrophobicContact CD2-CE 4.33Å; V107-M201 HydrophobicContact CG1-CB 4.02Å; V107-M201 HydrophobicContact CG1-SD 4.47Å; V110-M201 HydrophobicContact CG2-CB 4.45Å; F153-M201 HydrophobicContact CZ-CE 4.38Å; I181-M201 HydrophobicContact CB-CE 4.26Å; I181-M201 HydrophobicContact CB-CG 3.89Å; I181-M201 HydrophobicContact CD1-CE 3.58Å; I181-M201 HydrophobicContact CD1-CG 4.28Å; I181-M201 HydrophobicContact CG1-CE 4.5Å; I181-M201 HydrophobicContact CG2-CE 4.05Å; I181-M201 HydrophobicContact CG2-CG 4.45Å; I181-M201 PolarHBondContact N-O 3.31Å; I181-M201 PolarHBondContact O-N 2.79Å; I181-M201 VanDerWaalsContact O-N 3.14Å; M201-L203 HydrophobicContact SD-CD2 4.37Å
202T97.3Very high94.7Very high0 Ų025.2 Ų25.20%015%0.153CC..EExtended strand (participates in β ladder)trans-114.6125.6172-56.30000108.5V107 Q108 R178 I179V107-T202 WeakPolarHBondContact CA-O 3.47Å; Q108-T202 PolarHBondContact N-O 2.72Å; Q108-T202 PolarHBondContact O-N 2.77Å; R178-T202 HydrophobicContact CB-CG2 3.6Å; R178-T202 HydrophobicContact CG-CG2 4.19Å; I179-T202 CarbonylContact O-C 3.52Å; I179-T202 WeakPolarHBondContact O-CA 3.34Å
203L97.5Very high95.1Very high0 Ų023.4 Ų23.40%013%0.129CC..EExtended strand (participates in β ladder)trans-103.5124.3177-55.5-177.9000109.6M92 F105 V107 F149 R178 I179 I181 M201M92-L203 HydrophobicContact CE-CD1 3.51Å; M92-L203 HydrophobicContact CE-CD2 3.71Å; M92-L203 HydrophobicContact CE-CG 4.28Å; M92-L203 HydrophobicContact SD-CD2 4.44Å; F105-L203 HydrophobicContact CB-CB 4.22Å; F105-L203 HydrophobicContact CB-CD2 4.26Å; F105-L203 HydrophobicContact CD1-CB 3.84Å; F105-L203 HydrophobicContact CD1-CD1 4.37Å; F105-L203 HydrophobicContact CG-CB 4.19Å; F105-L203 HydrophobicContact CG-CD1 4.35Å; V107-L203 HydrophobicContact CB-CD2 4.38Å; V107-L203 HydrophobicContact CG1-CD2 4.18Å; V107-L203 HydrophobicContact CG2-CD2 3.82Å; F149-L203 HydrophobicContact CE1-CD1 4.24Å; F149-L203 HydrophobicContact CZ-CD1 3.99Å; R178-L203 WeakPolarHBondContact CA-O 3.23Å; I179-L203 HydrophobicContact CB-CB 4.26Å; I179-L203 PolarHBondContact N-O 3.36Å; I179-L203 PolarHBondContact O-N 3.41Å; I181-L203 HydrophobicContact CD1-CD1 3.41Å; I181-L203 VanDerWaalsContact CD1-CD1 3.41Å; I181-L203 HydrophobicContact CD1-CG 3.91Å; I181-L203 HydrophobicContact CG1-CD1 4.47Å; M201-L203 HydrophobicContact SD-CD2 4.37Å
204N96.9Very high95Very high19 Ų1921.2 Ų21.210%0.10212%0.121CC..EExtended strand (participates in β ladder)trans-105.3116.8168.5-175.9-16.7000108.7F105 L106 R178 N221F105-N204 CarbonylContact C-O 3.56Å; F105-N204 VanDerWaalsContact CA-O 3.29Å; F105-N204 WeakPolarHBondContact CA-O 3.47Å; L106-N204 HydrophobicContact CB-CB 4.33Å; L106-N204 PolarHBondContact N-O 2.97Å; L106-N204 PolarHBondContact O-N 3.33Å; R178-N204 HydrophobicContact CG-CB 4.1Å; N204-N221 PolarHBondContact OD1-ND2 3.31Å
205L97.2Very high95Very high7 Ų719.8 Ų19.84%0.03713%0.126CC..EExtended strand (participates in β ladder)trans-66.5132.1-179-179.463.9000110.8F105 F141 L145 I208 F219 N221F105-L205 HydrophobicContact CD1-CB 4.16Å; F105-L205 HydrophobicContact CD1-CD1 4Å; F105-L205 HydrophobicContact CE1-CB 4.09Å; F105-L205 HydrophobicContact CE1-CD1 3.55Å; F105-L205 HydrophobicContact CE1-CG 4.4Å; F105-L205 HydrophobicContact CZ-CD1 4.03Å; F141-L205 HydrophobicContact CD2-CD2 3.57Å; F141-L205 HydrophobicContact CE2-CD2 3.68Å; L145-L205 HydrophobicContact CD1-CD1 4.18Å; L145-L205 HydrophobicContact CD1-CD2 3.93Å; L205-I208 HydrophobicContact CD1-CD1 4.42Å; L205-I208 HydrophobicContact CD1-CG1 3.95Å; L205-I208 HydrophobicContact CD2-CD1 4.22Å; L205-I208 HydrophobicContact CD2-CG1 4.42Å; L205-F219 HydrophobicContact CD2-CD1 3.68Å; L205-F219 HydrophobicContact CD2-CE1 3.37Å; L205-F219 HydrophobicContact CD2-CZ 4.33Å; L205-F219 HydrophobicContact CG-CD1 4.27Å; L205-F219 HydrophobicContact CG-CE1 4.02Å; L205-N221 WeakPolarHBondContact O-CB 3.47Å; L205-N221 PolarHBondContact O-ND2 3.26Å
206I97.1Very high95Very high17 Ų1720.7 Ų20.79%0.08714%0.139CC..EExtended strand (participates in β ladder)trans-105-58.3179.2-56.2179.2000110Y91 K104 L106 N221 Y224Y91-I206 HydrophobicContact CD1-CD1 3.5Å; Y91-I206 VanDerWaalsContact CD1-CD1 3.5Å; Y91-I206 HydrophobicContact CE1-CD1 3.51Å; K104-I206 HydrophobicContact CB-CB 4.44Å; K104-I206 HydrophobicContact CD-CD1 4.25Å; K104-I206 HydrophobicContact CG-CB 4.44Å; K104-I206 HydrophobicContact CG-CD1 4.18Å; K104-I206 WeakPolarHBondContact O-CB 3.46Å; K104-I206 PolarHBondContact O-N 3.21Å; L106-I206 HydrophobicContact CB-CD1 4.06Å; L106-I206 HydrophobicContact CB-CG1 4.42Å; I206-N221 PolarHBondContact O-N 3.11Å; I206-Y224 HydrophobicContact CB-CD1 4.3Å; I206-Y224 HydrophobicContact CB-CE1 4.35Å; I206-Y224 HydrophobicContact CB-CG 4.46Å; I206-Y224 HydrophobicContact CD1-CD2 4.46Å; I206-Y224 HydrophobicContact CD1-CE1 4.05Å; I206-Y224 HydrophobicContact CD1-CE2 3.79Å; I206-Y224 HydrophobicContact CG1-CD1 4.13Å; I206-Y224 HydrophobicContact CG1-CD2 3.81Å; I206-Y224 HydrophobicContact CG1-CE1 3.96Å; I206-Y224 HydrophobicContact CG1-CE2 3.64Å; I206-Y224 HydrophobicContact CG1-CG 4.05Å; I206-Y224 HydrophobicContact CG2-CD1 3.73Å; I206-Y224 HydrophobicContact CG2-CE1 3.64Å; I206-Y224 HydrophobicContact CG2-CG 4.35Å
207T97Very high95Very high26 Ų2623.5 Ų23.516%0.1615%0.154CC..EExtended strand (participates in β ladder)trans-152.6150.4-174.948.60000110.9K104 L217 F219 K220K104-T207 PolarHBondContact N-O 2.75Å; K104-T207 PolarHBondContact O-N 2.78Å; T207-L217 HydrophobicContact CG2-CD1 3.56Å; T207-F219 CarbonylContact C-O 3.4Å; T207-F219 VanDerWaalsContact CA-O 3.23Å; T207-F219 WeakPolarHBondContact CA-O 3.45Å; T207-K220 HydrophobicContact CG2-CB 4.35Å; T207-K220 HydrophobicContact CG2-CG 4.15Å
208I97.3Very high95.1Very high2 Ų228.6 Ų28.61%0.0118%0.181CC..EExtended strand (participates in β ladder)trans-118.8128.9166.4-53.9177.4000107.9P101 T102 A103 F141 L144 L145 L205 L218 F219P101-I208 HydrophobicContact CB-CG2 4.35Å; T102-I208 CarbonylContact O-C 3.52Å; T102-I208 WeakPolarHBondContact O-CA 3.33Å; A103-I208 HydrophobicContact CB-CG1 4.44Å; F141-I208 HydrophobicContact CB-CD1 3.93Å; L144-I208 HydrophobicContact CD2-CD1 4.48Å; L144-I208 HydrophobicContact CD2-CG2 4Å; L145-I208 HydrophobicContact CD2-CD1 4.27Å; L145-I208 HydrophobicContact CG-CD1 4.39Å; L205-I208 HydrophobicContact CD1-CD1 4.42Å; L205-I208 HydrophobicContact CD1-CG1 3.95Å; L205-I208 HydrophobicContact CD2-CD1 4.22Å; L205-I208 HydrophobicContact CD2-CG1 4.42Å; I208-L218 PolarHBondContact O-N 3.27Å; I208-F219 HydrophobicContact CB-CB 4Å; I208-F219 HydrophobicContact CD1-CB 4.16Å; I208-F219 HydrophobicContact CD1-CD1 4.34Å; I208-F219 HydrophobicContact CG1-CB 4.13Å; I208-F219 HydrophobicContact CG1-CD1 4.27Å; I208-F219 PolarHBondContact N-O 3.22Å; I208-F219 PolarHBondContact O-N 3.43Å; I208-F219 VanDerWaalsContact O-N 3.17Å
209Q96.3Very high95.4Very high39 Ų3930.9 Ų30.918%0.18219%0.191CC..EExtended strand (participates in β ladder)trans-109.9145.2176.7-54.4178.6-69.300109.2P101 T102 P216P101-Q209 WeakPolarHBondContact CA-O 3.42Å; P101-Q209 WeakPolarHBondContact CB-O 3.49Å; T102-Q209 PolarHBondContact N-O 3.15Å; T102-Q209 PolarHBondContact O-N 2.63Å; Q209-P216 CarbonylContact C-O 3.58Å; Q209-P216 WeakPolarHBondContact CA-O 3.48Å
210G95.3Very high95.4Very high24 Ų2437.9 Ų37.925%0.24722%0.221CC..SBendtrans-71.9-29.1-179.200000113.7P216G210-P216 PolarHBondContact N-O 2.88Å
211G94.5Very high95.4Very high14 Ų1436.8 Ų36.814%0.14422%0.218CC..SBendtrans-97.2174.518000000113.9R99 G100 T102 F213 G214R99-G211 WeakPolarHBondContact O-CA 3.32Å; G100-G211 VanDerWaalsContact CA-C 3.48Å; T102-G211 WeakPolarHBondContact CB-O 3.16Å; T102-G211 PolarHBondContact N-O 3.21Å; T102-G211 PolarHBondContact OG1-O 3.04Å; G211-F213 PolarHBondContact O-N 3.46Å; G211-G214 CarbonylContact C-O 3.55Å; G211-G214 VanDerWaalsContact C-O 3.27Å; G211-G214 WeakPolarHBondContact CA-O 3.12Å; G211-G214 PolarHBondContact N-O 3.4Å; G211-G214 VanDerWaalsContact N-O 3.08Å
212S93Very high95.3Very high10 Ų1042 Ų427%0.0725%0.252CS..SBendtrans-80.4112.6170.8-170.90000110.9N68 P98 T102 G214N68-S212 PolarHBondContact ND2-O 3.21Å; N68-S212 VanDerWaalsContact ND2-O 3.16Å; N68-S212 WeakPolarHBondContact OD1-CB 3.43Å; N68-S212 PolarHBondContact OD1-OG 2.98Å; P98-S212 WeakPolarHBondContact O-CB 2.73Å; T102-S212 WeakPolarHBondContact OG1-CA 3.38Å; S212-G214 PolarHBondContact O-N 3.01Å; S212-G214 VanDerWaalsContact O-N 3.13Å
213F92.7Very high95.1Very high18 Ų1846.8 Ų46.88%0.07928%0.278CS..SBendtrans53.228.8-176.9-62.8-72.7000114.5I64 I67 N68 C79 W93 A95 V97 T102 G211I64-F213 HydrophobicContact CG2-CB 3.76Å; I64-F213 HydrophobicContact CG2-CD1 3.27Å; I64-F213 HydrophobicContact CG2-CE1 4.1Å; I64-F213 HydrophobicContact CG2-CG 3.77Å; I67-F213 HydrophobicContact CB-CD2 3.88Å; I67-F213 HydrophobicContact CB-CE2 3.72Å; I67-F213 HydrophobicContact CB-CG 4.44Å; I67-F213 HydrophobicContact CB-CZ 4.11Å; I67-F213 HydrophobicContact CD1-CD1 4.11Å; I67-F213 HydrophobicContact CD1-CE1 3.73Å; I67-F213 HydrophobicContact CD1-CE2 4.32Å; I67-F213 HydrophobicContact CD1-CZ 3.86Å; I67-F213 HydrophobicContact CG2-CD2 4.01Å; I67-F213 HydrophobicContact CG2-CE1 4.5Å; I67-F213 HydrophobicContact CG2-CE2 3.31Å; I67-F213 HydrophobicContact CG2-CZ 3.6Å; N68-F213 WeakPolarHBondContact OD1-CD2 3.33Å; C79-F213 HydrophobicContact CB-CE2 4.21Å; C79-F213 HydrophobicContact CB-CZ 4.18Å; W93-F213 HydrophobicContact CB-CE1 3.73Å; W93-F213 HydrophobicContact CD2-CE1 4.46Å; W93-F213 HydrophobicContact CE3-CD1 4.22Å; W93-F213 HydrophobicContact CE3-CE1 4.43Å; W93-F213 HydrophobicContact CG-CE1 4.24Å; A95-F213 HydrophobicContact CB-CD2 4.2Å; A95-F213 HydrophobicContact CB-CE1 4.34Å; A95-F213 HydrophobicContact CB-CE2 3.63Å; A95-F213 HydrophobicContact CB-CZ 3.73Å; V97-F213 HydrophobicContact CG2-CE2 4.37Å; T102-F213 HydrophobicContact CG2-CD1 4.27Å; T102-F213 PolarHBondContact OG1-N 3.2Å; G211-F213 PolarHBondContact O-N 3.46Å
214G90Very high94.9Very high25 Ų2548.9 Ų48.926%0.25829%0.286SS..  trans178.3-168.3-175.800000111.7G211 S212G211-G214 CarbonylContact C-O 3.55Å; G211-G214 VanDerWaalsContact C-O 3.27Å; G211-G214 WeakPolarHBondContact CA-O 3.12Å; G211-G214 PolarHBondContact N-O 3.4Å; G211-G214 VanDerWaalsContact N-O 3.08Å; S212-G214 PolarHBondContact O-N 3.01Å; S212-G214 VanDerWaalsContact O-N 3.13Å
215G91.5Very high94.8Very high53 Ų5351 Ų5155%0.54630%0.3SS..SBendtrans86.3-177.4-179.700000114.4
216P95.4Very high94.7Very high95 Ų9552.5 Ų52.562%0.61731%0.31SS*.  trans-65.1146.3-175.127.3-34.6000111.4Q209 G210 L218Q209-P216 CarbonylContact C-O 3.58Å; Q209-P216 WeakPolarHBondContact CA-O 3.48Å; G210-P216 PolarHBondContact N-O 2.88Å; P216-L218 PolarHBondContact O-N 2.95Å
217L95.6Very high94.6Very high96 Ų9652.4 Ų52.450%0.50331%0.311SS..EExtended strand (participates in β ladder)trans-78.8110176.7-176.469.2000109.2T207 F219 K220T207-L217 HydrophobicContact CG2-CD1 3.56Å; L217-F219 WeakPolarHBondContact CD1-O 3.37Å; L217-K220 HydrophobicContact CD2-CB 4.04Å; L217-K220 HydrophobicContact CD2-CD 4.28Å
218L95Very high94.5Very high112 Ų11253.2 Ų53.259%0.58631%0.314SS*.EExtended strand (participates in β ladder)trans-82.7-37.4179.5-61.6-179000112I208 P216I208-L218 PolarHBondContact O-N 3.27Å; P216-L218 PolarHBondContact O-N 2.95Å
219F96.1Very high94.4Very high49 Ų4955.5 Ų55.522%0.21533%0.326CS..EExtended strand (participates in β ladder)trans-145.1144.1-178.8177.2-95.4000111F141 L205 T207 I208 L217 N221F141-F219 HydrophobicContact CB-CD2 4.33Å; F141-F219 HydrophobicContact CB-CG 4.36Å; F141-F219 HydrophobicContact CD1-CD2 4.05Å; F141-F219 AromaticContact CD1-CE2 3.73Å; F141-F219 HydrophobicContact CD1-CE2 3.73Å; F141-F219 HydrophobicContact CD1-CZ 4.17Å; F141-F219 HydrophobicContact CD2-CE1 4.3Å; F141-F219 HydrophobicContact CD2-CZ 4.27Å; F141-F219 AromaticContact CE1-CE2 3.8Å; F141-F219 HydrophobicContact CE1-CE2 3.8Å; F141-F219 AromaticContact CE1-CZ 3.97Å; F141-F219 HydrophobicContact CE1-CZ 3.97Å; F141-F219 HydrophobicContact CE2-CE1 4.34Å; F141-F219 HydrophobicContact CE2-CZ 4.09Å; F141-F219 HydrophobicContact CG-CD2 4.16Å; F141-F219 HydrophobicContact CG-CE2 4.1Å; F141-F219 HydrophobicContact CG-CG 4.41Å; F141-F219 HydrophobicContact CG-CZ 4.3Å; F141-F219 HydrophobicContact CZ-CE2 4.25Å; F141-F219 AromaticContact CZ-CZ 3.94Å; F141-F219 HydrophobicContact CZ-CZ 3.94Å; L205-F219 HydrophobicContact CD2-CD1 3.68Å; L205-F219 HydrophobicContact CD2-CE1 3.37Å; L205-F219 HydrophobicContact CD2-CZ 4.33Å; L205-F219 HydrophobicContact CG-CD1 4.27Å; L205-F219 HydrophobicContact CG-CE1 4.02Å; T207-F219 CarbonylContact C-O 3.4Å; T207-F219 VanDerWaalsContact CA-O 3.23Å; T207-F219 WeakPolarHBondContact CA-O 3.45Å; I208-F219 HydrophobicContact CB-CB 4Å; I208-F219 HydrophobicContact CD1-CB 4.16Å; I208-F219 HydrophobicContact CD1-CD1 4.34Å; I208-F219 HydrophobicContact CG1-CB 4.13Å; I208-F219 HydrophobicContact CG1-CD1 4.27Å; I208-F219 PolarHBondContact N-O 3.22Å; I208-F219 PolarHBondContact O-N 3.43Å; I208-F219 VanDerWaalsContact O-N 3.17Å; L217-F219 WeakPolarHBondContact CD1-O 3.37Å; F219-N221 HydrophobicContact CE1-CB 3.9Å; F219-N221 HydrophobicContact CZ-CB 4.34Å
220K96Very high94.3Very high149 Ų14957.3 Ų57.365%0.64834%0.336SS*.EExtended strand (participates in β ladder)trans-137.2123.2172.3-177.6179.4176.5-174.60108.7T207 L217 P222T207-K220 HydrophobicContact CG2-CB 4.35Å; T207-K220 HydrophobicContact CG2-CG 4.15Å; L217-K220 HydrophobicContact CD2-CB 4.04Å; L217-K220 HydrophobicContact CD2-CD 4.28Å; K220-P222 VanDerWaalsContact O-CD 3.26Å; K220-P222 WeakPolarHBondContact O-CD 3.49Å
221N94.7Very high94.3Very high17 Ų1760.3 Ų60.39%0.09134%0.34CS..  trans-69.4117.7179.7-173.1-5.9000110.1N204 L205 I206 F219 N223N204-N221 PolarHBondContact OD1-ND2 3.31Å; L205-N221 WeakPolarHBondContact O-CB 3.47Å; L205-N221 PolarHBondContact O-ND2 3.26Å; I206-N221 PolarHBondContact O-N 3.11Å; F219-N221 HydrophobicContact CE1-CB 3.9Å; F219-N221 HydrophobicContact CZ-CB 4.34Å; N221-N223 VanDerWaalsContact C-N 3.3Å; N221-N223 WeakPolarHBondContact OD1-CB 3.16Å; N221-N223 PolarHBondContact OD1-N 3.01Å
222P94.2Very high94.2Very high110 Ų11066.2 Ų66.271%0.71436%0.358SS*.SBendtrans-68.4-29.8175.828.3-34.2000112.5K220 Y224K220-P222 VanDerWaalsContact O-CD 3.26Å; K220-P222 WeakPolarHBondContact O-CD 3.49Å; P222-Y224 VanDerWaalsContact C-N 3.3Å; P222-Y224 PolarHBondContact O-N 3.1Å
223N93Very high94.2Very high100 Ų10070.8 Ų70.854%0.53538%0.379SS..SBendtrans-81.1-12.7-175.6-61.6-15000112.3D177 N221 V225D177-N223 PolarHBondContact OD2-ND2 2.89Å; N221-N223 VanDerWaalsContact C-N 3.3Å; N221-N223 WeakPolarHBondContact OD1-CB 3.16Å; N221-N223 PolarHBondContact OD1-N 3.01Å; N223-V225 PolarHBondContact O-N 3.07Å
224Y94.9Very high94.3Very high44 Ų4474.9 Ų74.917%0.17340%0.4CS..  trans-72.1117.4-178.9169.6-103000112.5Y91 L106 I206 P222Y91-Y224 WeakPolarHBondContact CE1-OH 3.2Å; Y91-Y224 PolarHBondContact OH-OH 3.31Å; L106-Y224 HydrophobicContact CB-CE2 3.94Å; L106-Y224 HydrophobicContact CD2-CE2 3.98Å; I206-Y224 HydrophobicContact CB-CD1 4.3Å; I206-Y224 HydrophobicContact CB-CE1 4.35Å; I206-Y224 HydrophobicContact CB-CG 4.46Å; I206-Y224 HydrophobicContact CD1-CD2 4.46Å; I206-Y224 HydrophobicContact CD1-CE1 4.05Å; I206-Y224 HydrophobicContact CD1-CE2 3.79Å; I206-Y224 HydrophobicContact CG1-CD1 4.13Å; I206-Y224 HydrophobicContact CG1-CD2 3.81Å; I206-Y224 HydrophobicContact CG1-CE1 3.96Å; I206-Y224 HydrophobicContact CG1-CE2 3.64Å; I206-Y224 HydrophobicContact CG1-CG 4.05Å; I206-Y224 HydrophobicContact CG2-CD1 3.73Å; I206-Y224 HydrophobicContact CG2-CE1 3.64Å; I206-Y224 HydrophobicContact CG2-CG 4.35Å; P222-Y224 VanDerWaalsContact C-N 3.3Å; P222-Y224 PolarHBondContact O-N 3.1Å
225V94.4Very high94.4Very high64 Ų6483 Ų8339%0.38842%0.423SS..  trans-109.3121.5171.8-174.30000109.9N223 L229 I230N223-V225 PolarHBondContact O-N 3.07Å; V225-L229 HydrophobicContact CG1-CB 4.26Å; V225-L229 HydrophobicContact CG1-CD2 3.93Å; V225-L229 HydrophobicContact CG1-CG 4.19Å; V225-I230 HydrophobicContact CB-CD1 4.4Å; V225-I230 HydrophobicContact CB-CG1 4.4Å; V225-I230 HydrophobicContact CG1-CD1 4.14Å; V225-I230 HydrophobicContact CG1-CG1 3.63Å
226S94.7Very high94.2Very high38 Ų3883.4 Ų83.427%0.26642%0.421SS..  trans-62.2138.8179.372.90000112.1N228 L229 I230S226-N228 PolarHBondContact O-N 3.43Å; S226-L229 WeakPolarHBondContact O-CA 3.28Å; S226-L229 WeakPolarHBondContact O-CB 3.42Å; S226-L229 PolarHBondContact O-N 3.09Å; S226-L229 VanDerWaalsContact OG-CB 3.3Å; S226-L229 WeakPolarHBondContact OG-CB 3.41Å; S226-L229 PolarHBondContact OG-N 3.12Å; S226-I230 PolarHBondContact O-N 3.38Å
227P95.3Very high93.9Very high15 Ų1582.7 Ų82.710%0.09742%0.423CS..Hα-helixtrans-57-30.3177.7-27.434.5000113.2D89 L106 I230 R231D89-P227 WeakPolarHBondContact OD1-CB 3.49Å; L106-P227 HydrophobicContact CD1-CG 3.84Å; L106-P227 HydrophobicContact CD2-CG 3.66Å; L106-P227 HydrophobicContact CG-CG 4.44Å; P227-I230 PolarHBondContact O-N 2.68Å; P227-R231 WeakPolarHBondContact O-CB 3.21Å; P227-R231 VanDerWaalsContact O-CG 3.29Å; P227-R231 WeakPolarHBondContact O-CG 3.28Å; P227-R231 PolarHBondContact O-N 2.87Å
228N94.5Very high93.6Very high43 Ų4380.5 Ų80.523%0.2342%0.416CS..Hα-helixtrans-68-33.9175.8-73.9-54.2000113.1K86 D89 S226 R231 R232K86-N228 WeakPolarHBondContact CD-OD1 3.3Å; K86-N228 WeakPolarHBondContact CE-OD1 3.41Å; K86-N228 PolarHBondContact NZ-OD1 3.45Å; D89-N228 PolarHBondContact OD2-ND2 3.08Å; S226-N228 PolarHBondContact O-N 3.43Å; N228-R231 PolarHBondContact OD1-NH1 2.99Å; N228-R232 VanDerWaalsContact O-CB 3.3Å; N228-R232 WeakPolarHBondContact O-CB 3.34Å; N228-R232 PolarHBondContact O-N 2.83Å; N228-R232 VanDerWaalsContact O-N 3.08Å
229L94.5Very high93Very high51 Ų5177.5 Ų77.527%0.26740%0.404SS..Hα-helixtrans-68.6-45.5173.6179.256.4000110.7V225 S226 R232 Q233V225-L229 HydrophobicContact CG1-CB 4.26Å; V225-L229 HydrophobicContact CG1-CD2 3.93Å; V225-L229 HydrophobicContact CG1-CG 4.19Å; S226-L229 WeakPolarHBondContact O-CA 3.28Å; S226-L229 WeakPolarHBondContact O-CB 3.42Å; S226-L229 PolarHBondContact O-N 3.09Å; S226-L229 VanDerWaalsContact OG-CB 3.3Å; S226-L229 WeakPolarHBondContact OG-CB 3.41Å; S226-L229 PolarHBondContact OG-N 3.12Å; L229-R232 VanDerWaalsContact CD1-CZ 3.48Å; L229-R232 WeakPolarHBondContact O-CB 3.42Å; L229-R232 PolarHBondContact O-N 3.2Å; L229-R232 VanDerWaalsContact O-N 3.11Å; L229-Q233 HydrophobicContact CD1-CG 4.45Å; L229-Q233 WeakPolarHBondContact O-CG 3.21Å; L229-Q233 PolarHBondContact O-N 2.87Å
230I95Very high92.3Very high76 Ų7676 Ų7639%0.3940%0.402SS..Hα-helixtrans-58.2-51.8176.6-59.5173.8000110.4V225 S226 P227 R232 Q233 I234V225-I230 HydrophobicContact CB-CD1 4.4Å; V225-I230 HydrophobicContact CB-CG1 4.4Å; V225-I230 HydrophobicContact CG1-CD1 4.14Å; V225-I230 HydrophobicContact CG1-CG1 3.63Å; S226-I230 PolarHBondContact O-N 3.38Å; P227-I230 PolarHBondContact O-N 2.68Å; I230-R232 PolarHBondContact O-N 2.82Å; I230-Q233 WeakPolarHBondContact O-CB 3.37Å; I230-Q233 PolarHBondContact O-N 2.88Å; I230-Q233 VanDerWaalsContact O-N 3.07Å; I230-I234 HydrophobicContact CG2-CD1 3.87Å; I230-I234 HydrophobicContact CG2-CG1 4.45Å; I230-I234 WeakPolarHBondContact O-CG1 3.3Å; I230-I234 PolarHBondContact O-N 2.84Å
231R94.8Very high91.8Very high87 Ų8775.7 Ų75.733%0.32840%0.401SS..Hα-helixtrans-58.9-34.9176.7-70.7177.1-164.5129.72.3112.8D89 P227 N228 R235D89-R231 VanDerWaalsContact CG-NH1 3.29Å; D89-R231 IonicContact OD1-CZ 3.24Å; D89-R231 VanDerWaalsContact OD1-CZ 3.24Å; D89-R231 IonicContact OD1-NH1 2.67Å; D89-R231 PolarHBondContact OD1-NH1 3.11Å; D89-R231 IonicContact OD1-NH2 2.63Å; D89-R231 PolarHBondContact OD1-NH2 3.42Å; D89-R231 IonicContact OD2-CZ 3.73Å; D89-R231 IonicContact OD2-NH1 3.04Å; D89-R231 PolarHBondContact OD2-NH1 2.72Å; D89-R231 IonicContact OD2-NH2 3.83Å; P227-R231 WeakPolarHBondContact O-CB 3.21Å; P227-R231 VanDerWaalsContact O-CG 3.29Å; P227-R231 WeakPolarHBondContact O-CG 3.28Å; P227-R231 PolarHBondContact O-N 2.87Å; N228-R231 PolarHBondContact OD1-NH1 2.99Å; R231-R235 WeakPolarHBondContact O-CB 3.37Å; R231-R235 PolarHBondContact O-N 3.31Å
232R93.2Very high91.2Very high139 Ų13983 Ų8353%0.52543%0.428SS..Hα-helixtrans-68.3-42.3176.1-175.8-178.477-175.59.9111.2N228 L229 I230 R235 A236N228-R232 VanDerWaalsContact O-CB 3.3Å; N228-R232 WeakPolarHBondContact O-CB 3.34Å; N228-R232 PolarHBondContact O-N 2.83Å; N228-R232 VanDerWaalsContact O-N 3.08Å; L229-R232 VanDerWaalsContact CD1-CZ 3.48Å; L229-R232 WeakPolarHBondContact O-CB 3.42Å; L229-R232 PolarHBondContact O-N 3.2Å; L229-R232 VanDerWaalsContact O-N 3.11Å; I230-R232 PolarHBondContact O-N 2.82Å; R232-R235 PolarHBondContact O-N 3.43Å; R232-A236 WeakPolarHBondContact O-CB 3.46Å; R232-A236 PolarHBondContact O-N 2.9Å
233Q93.5Very high90.7Very high106 Ų10678.6 Ų78.650%0.49540%0.399SS..Hα-helixtrans-64.1-46.8176.3-73.9166.8-35.900111.2L229 I230 R235 A236 A237L229-Q233 HydrophobicContact CD1-CG 4.45Å; L229-Q233 WeakPolarHBondContact O-CG 3.21Å; L229-Q233 PolarHBondContact O-N 2.87Å; I230-Q233 WeakPolarHBondContact O-CB 3.37Å; I230-Q233 PolarHBondContact O-N 2.88Å; I230-Q233 VanDerWaalsContact O-N 3.07Å; Q233-R235 VanDerWaalsContact C-N 3.32Å; Q233-R235 PolarHBondContact O-N 2.94Å; Q233-A236 WeakPolarHBondContact O-CB 3.46Å; Q233-A236 PolarHBondContact O-N 2.78Å; Q233-A236 VanDerWaalsContact O-N 3.09Å; Q233-A237 PolarHBondContact O-N 3.04Å
234I93.8Very high90.4Very high104 Ų10478.5 Ų78.553%0.53340%0.398SS..Hα-helixtrans-58-44.3175.7-66169000111.2I230 A237 S238I230-I234 HydrophobicContact CG2-CD1 3.87Å; I230-I234 HydrophobicContact CG2-CG1 4.45Å; I230-I234 WeakPolarHBondContact O-CG1 3.3Å; I230-I234 PolarHBondContact O-N 2.84Å; I234-A237 PolarHBondContact O-N 3.21Å; I234-S238 WeakPolarHBondContact O-CB 3.34Å; I234-S238 PolarHBondContact O-N 2.99Å; I234-S238 PolarHBondContact O-OG 3.5Å
235R91.9Very high90.2Very high196 Ų19684.1 Ų84.174%0.7442%0.423SS*.Hα-helixtrans-64.8-40.2176.1-171.8-177-62.6177.5-2.8111.9R231 R232 Q233 S238 S239R231-R235 WeakPolarHBondContact O-CB 3.37Å; R231-R235 PolarHBondContact O-N 3.31Å; R232-R235 PolarHBondContact O-N 3.43Å; Q233-R235 VanDerWaalsContact C-N 3.32Å; Q233-R235 PolarHBondContact O-N 2.94Å; R235-S238 PolarHBondContact O-N 2.82Å; R235-S239 PolarHBondContact O-N 3Å
236A88.6Confident89.9Confident60 Ų6082.8 Ų82.850%0.49642%0.415SS..Hα-helixtrans-65.1-45.1177.500000111.5R232 Q233 S238 S239R232-A236 WeakPolarHBondContact O-CB 3.46Å; R232-A236 PolarHBondContact O-N 2.9Å; Q233-A236 WeakPolarHBondContact O-CB 3.46Å; Q233-A236 PolarHBondContact O-N 2.78Å; Q233-A236 VanDerWaalsContact O-N 3.09Å; A236-S238 VanDerWaalsContact C-N 3.32Å; A236-S238 PolarHBondContact O-N 3.26Å; A236-S239 WeakPolarHBondContact O-CB 3.4Å; A236-S239 PolarHBondContact O-N 3.3Å; A236-S239 PolarHBondContact O-OG 3.21Å
237A88.7Confident89.5Confident80 Ų8083.3 Ų83.366%0.66141%0.414SS*.Hα-helixtrans-60.4-41.6174.500000111.7Q233 I234 S239Q233-A237 PolarHBondContact O-N 3.04Å; I234-A237 PolarHBondContact O-N 3.21Å; A237-S239 VanDerWaalsContact C-N 3.32Å; A237-S239 PolarHBondContact O-N 3.2Å
238S88.7Confident89.2Confident50 Ų5088 Ų8835%0.3544%0.439SS..Hα-helixtrans-71.5-23.7178.4-59.70000113.8I234 R235 A236 G240 K241I234-S238 WeakPolarHBondContact O-CB 3.34Å; I234-S238 PolarHBondContact O-N 2.99Å; I234-S238 PolarHBondContact O-OG 3.5Å; R235-S238 PolarHBondContact O-N 2.82Å; A236-S238 VanDerWaalsContact C-N 3.32Å; A236-S238 PolarHBondContact O-N 3.26Å; S238-G240 PolarHBondContact O-N 2.81Å; S238-K241 WeakPolarHBondContact O-CB 3.33Å; S238-K241 WeakPolarHBondContact O-CG 3.39Å; S238-K241 PolarHBondContact O-N 2.82Å; S238-K241 VanDerWaalsContact O-N 3.14Å
239S82.1Confident89Confident50 Ų5092.6 Ų92.635%0.3546%0.457SS..Hα-helixtrans-64.5-23.2-177.873.50000113.9R235 A236 A237 R311R235-S239 PolarHBondContact O-N 3Å; A236-S239 WeakPolarHBondContact O-CB 3.4Å; A236-S239 PolarHBondContact O-N 3.3Å; A236-S239 PolarHBondContact O-OG 3.21Å; A237-S239 VanDerWaalsContact C-N 3.32Å; A237-S239 PolarHBondContact O-N 3.2Å; S239-R311 PolarHBondContact OG-NH2 2.94Å
240G82Confident88.7Confident16 Ų1690.7 Ų90.717%0.16545%0.447CS..THydrogen-bonded Turntrans-79.7-15.1177.100000113.9S238 Y242 L243 N244S238-G240 PolarHBondContact O-N 2.81Å; G240-Y242 PolarHBondContact O-N 2.8Å; G240-L243 PolarHBondContact O-N 3.16Å; G240-N244 WeakPolarHBondContact O-CB 3.35Å; G240-N244 PolarHBondContact O-N 3.21Å; G240-N244 PolarHBondContact O-OD1 3.11Å
241K86.2Confident88.3Confident144 Ų14489.4 Ų89.463%0.62645%0.447SS*.Hα-helixtrans-58.9-44.4-172.1-69.6-178177-174.50113S238 K245S238-K241 WeakPolarHBondContact O-CB 3.33Å; S238-K241 WeakPolarHBondContact O-CG 3.39Å; S238-K241 PolarHBondContact O-N 2.82Å; S238-K241 VanDerWaalsContact O-N 3.14Å; K241-K245 WeakPolarHBondContact O-CB 3.17Å; K241-K245 PolarHBondContact O-N 2.98Å
242Y81.3Confident88Confident169 Ų16991.5 Ų91.566%0.66346%0.461SS*.Hα-helixtrans-65.3-47.3178.2177.7-99.6000111.8G240 N244 K245 V246G240-Y242 PolarHBondContact O-N 2.8Å; Y242-N244 PolarHBondContact O-N 2.85Å; Y242-K245 WeakPolarHBondContact O-CB 3.2Å; Y242-K245 PolarHBondContact O-N 3.23Å; Y242-V246 HydrophobicContact CD1-CG2 4.32Å; Y242-V246 HydrophobicContact CE1-CG2 3.88Å; Y242-V246 HydrophobicContact CE2-CG2 4.19Å; Y242-V246 WeakPolarHBondContact O-CG2 3.39Å; Y242-V246 PolarHBondContact O-N 3.28Å
243L83.6Confident87.6Confident18 Ų1887.9 Ų87.99%0.09445%0.45CS..Hα-helixtrans-62.9-43.8179.5-71.5158.4000111.2G240 K245 V246 M247 F303 Q304 I307G240-L243 PolarHBondContact O-N 3.16Å; L243-K245 VanDerWaalsContact C-N 3.33Å; L243-K245 PolarHBondContact O-N 2.84Å; L243-V246 PolarHBondContact O-N 2.86Å; L243-M247 WeakPolarHBondContact O-CB 3.36Å; L243-M247 VanDerWaalsContact O-CG 3.24Å; L243-M247 WeakPolarHBondContact O-CG 3.29Å; L243-M247 PolarHBondContact O-N 2.77Å; L243-F303 HydrophobicContact CD2-CD1 4.19Å; L243-F303 HydrophobicContact CD2-CE1 4.42Å; L243-Q304 VanDerWaalsContact CD1-OE1 3.22Å; L243-I307 HydrophobicContact CD1-CD1 4.08Å; L243-I307 HydrophobicContact CD2-CD1 4.47Å
244N87.6Confident87Confident99 Ų9985.5 Ų85.553%0.52944%0.437SS..Hα-helixtrans-61.8-40.6174.7-67.8-3.6000111.3G240 Y242 M247 N248G240-N244 WeakPolarHBondContact O-CB 3.35Å; G240-N244 PolarHBondContact O-N 3.21Å; G240-N244 PolarHBondContact O-OD1 3.11Å; Y242-N244 PolarHBondContact O-N 2.85Å; N244-M247 PolarHBondContact O-N 3.48Å; N244-N248 VanDerWaalsContact O-CB 3.26Å; N244-N248 WeakPolarHBondContact O-CB 3.47Å; N244-N248 PolarHBondContact O-N 2.61Å; N244-N248 PolarHBondContact O-OD1 2.97Å
245K88.7Confident86.5Confident161 Ų16183.6 Ų83.670%0.743%0.433SS*.Hα-helixtrans-61.8-45175.7-173.7176-178.5176.80111.9K241 Y242 L243 K249K241-K245 WeakPolarHBondContact O-CB 3.17Å; K241-K245 PolarHBondContact O-N 2.98Å; Y242-K245 WeakPolarHBondContact O-CB 3.2Å; Y242-K245 PolarHBondContact O-N 3.23Å; L243-K245 VanDerWaalsContact C-N 3.33Å; L243-K245 PolarHBondContact O-N 2.84Å; K245-K249 WeakPolarHBondContact O-CB 3.47Å; K245-K249 PolarHBondContact O-N 3.14Å
246V88.4Confident86.1Confident36 Ų3683.3 Ų83.322%0.21843%0.432CS..Hα-helixtrans-65-44.6177174.80000110.9Y242 L243 K249 L250 V300Y242-V246 HydrophobicContact CD1-CG2 4.32Å; Y242-V246 HydrophobicContact CE1-CG2 3.88Å; Y242-V246 HydrophobicContact CE2-CG2 4.19Å; Y242-V246 WeakPolarHBondContact O-CG2 3.39Å; Y242-V246 PolarHBondContact O-N 3.28Å; L243-V246 PolarHBondContact O-N 2.86Å; V246-K249 PolarHBondContact O-N 3.18Å; V246-L250 HydrophobicContact CG1-CD1 4.07Å; V246-L250 WeakPolarHBondContact O-CG 3.42Å; V246-L250 PolarHBondContact O-N 3.43Å; V246-V300 HydrophobicContact CG1-CG1 4.13Å; V246-V300 HydrophobicContact CG1-CG2 3.87Å
247M86.6Confident85.5Confident50 Ų5085.3 Ų85.325%0.24643%0.432CS..Hα-helixtrans-63.5-41.5177.8-71.5-64.2-68.600112.2L243 N244 L250 A251 F297 V300 K301L243-M247 WeakPolarHBondContact O-CB 3.36Å; L243-M247 VanDerWaalsContact O-CG 3.24Å; L243-M247 WeakPolarHBondContact O-CG 3.29Å; L243-M247 PolarHBondContact O-N 2.77Å; N244-M247 PolarHBondContact O-N 3.48Å; M247-L250 PolarHBondContact O-N 2.85Å; M247-A251 VanDerWaalsContact O-CB 3.29Å; M247-A251 WeakPolarHBondContact O-CB 3.29Å; M247-A251 PolarHBondContact O-N 2.78Å; M247-F297 HydrophobicContact CE-CD2 4.47Å; M247-F297 HydrophobicContact CE-CE1 4.5Å; M247-F297 HydrophobicContact CE-CE2 3.61Å; M247-F297 HydrophobicContact CE-CZ 3.63Å; M247-F297 HydrophobicContact SD-CE2 4.18Å; M247-V300 HydrophobicContact CG-CG1 4.25Å; M247-V300 HydrophobicContact SD-CB 4.32Å; M247-V300 HydrophobicContact SD-CG1 3.51Å; M247-V300 VanDerWaalsContact SD-CG1 3.51Å; M247-K301 HydrophobicContact CE-CG 4.45Å
248N89.5Confident84.9Confident113 Ų11388.6 Ų88.660%0.60443%0.433SS*.Hα-helixtrans-65.8-40.7176.7-70.7-2.2000111.5N244 A251 H252N244-N248 VanDerWaalsContact O-CB 3.26Å; N244-N248 WeakPolarHBondContact O-CB 3.47Å; N244-N248 PolarHBondContact O-N 2.61Å; N244-N248 PolarHBondContact O-OD1 2.97Å; N248-A251 PolarHBondContact O-N 3.3Å; N248-H252 WeakPolarHBondContact O-CB 3.31Å; N248-H252 PolarHBondContact O-N 3.21Å
249K90.1Very high83.8Confident140 Ų14092.4 Ų92.461%0.60945%0.445SS*.Hα-helixtrans-60.4-48.4175.1-172-177.3178.8-171.30111.1K245 V246 A251 H252 E253K245-K249 WeakPolarHBondContact O-CB 3.47Å; K245-K249 PolarHBondContact O-N 3.14Å; V246-K249 PolarHBondContact O-N 3.18Å; K249-A251 VanDerWaalsContact C-N 3.35Å; K249-A251 PolarHBondContact O-N 2.8Å; K249-H252 PolarHBondContact O-N 2.94Å; K249-E253 VanDerWaalsContact CE-OE1 3.25Å; K249-E253 WeakPolarHBondContact CE-OE1 3.49Å; K249-E253 WeakPolarHBondContact O-CG 3.48Å; K249-E253 PolarHBondContact O-N 3.18Å
250L87.6Confident83Confident11 Ų1195.3 Ų95.36%0.05846%0.463CS..Hα-helixtrans-66.1-36.3178.4-68.3169.9000112.6V246 M247 E253 K254 Q296 F297 V300V246-L250 HydrophobicContact CG1-CD1 4.07Å; V246-L250 WeakPolarHBondContact O-CG 3.42Å; V246-L250 PolarHBondContact O-N 3.43Å; M247-L250 PolarHBondContact O-N 2.85Å; L250-E253 PolarHBondContact O-N 3.17Å; L250-K254 WeakPolarHBondContact O-CG 3.49Å; L250-K254 PolarHBondContact O-N 2.86Å; L250-Q296 HydrophobicContact CD2-CB 4.05Å; L250-F297 HydrophobicContact CB-CD2 3.77Å; L250-F297 HydrophobicContact CB-CE2 4.23Å; L250-F297 HydrophobicContact CD1-CD2 4.03Å; L250-V300 HydrophobicContact CD1-CB 4.15Å; L250-V300 HydrophobicContact CD1-CG2 3.72Å
251A87.7Confident82.1Confident49 Ų4999.8 Ų99.841%0.40549%0.487SS..Hα-helixtrans-66.2-41.2175.600000111.7M247 N248 K249 K254 S255M247-A251 VanDerWaalsContact O-CB 3.29Å; M247-A251 WeakPolarHBondContact O-CB 3.29Å; M247-A251 PolarHBondContact O-N 2.78Å; N248-A251 PolarHBondContact O-N 3.3Å; K249-A251 VanDerWaalsContact C-N 3.35Å; K249-A251 PolarHBondContact O-N 2.8Å; A251-K254 PolarHBondContact O-N 3.39Å; A251-S255 WeakPolarHBondContact O-CB 3.46Å; A251-S255 PolarHBondContact O-N 2.82Å
252H87.4Confident80.9Confident131 Ų13198.2 Ų98.261%0.60649%0.494SS*.Hα-helixtrans-63.9-43174.4-175.7-56.5000111.7N248 K249 K254 S255 R256N248-H252 WeakPolarHBondContact O-CB 3.31Å; N248-H252 PolarHBondContact O-N 3.21Å; K249-H252 PolarHBondContact O-N 2.94Å; H252-K254 VanDerWaalsContact C-N 3.32Å; H252-K254 PolarHBondContact O-N 3.46Å; H252-S255 PolarHBondContact O-N 3.28Å; H252-R256 WeakPolarHBondContact O-CB 3.5Å; H252-R256 PolarHBondContact O-N 3.44Å
253E84.7Confident80.3Confident63 Ų6396.3 Ų96.329%0.29449%0.49SS..Hα-helixtrans-61.2-41.2176.2-75.2171.6-174.100111.8K249 L250 R256 Q257K249-E253 VanDerWaalsContact CE-OE1 3.25Å; K249-E253 WeakPolarHBondContact CE-OE1 3.49Å; K249-E253 WeakPolarHBondContact O-CG 3.48Å; K249-E253 PolarHBondContact O-N 3.18Å; L250-E253 PolarHBondContact O-N 3.17Å; E253-R256 PolarHBondContact O-N 3.47Å; E253-Q257 WeakPolarHBondContact O-CG 3.44Å; E253-Q257 PolarHBondContact O-N 3.48Å; E253-Q257 VanDerWaalsContact O-N 3.1Å
254K82.8Confident79.4Confident55 Ų55105.6 Ų105.624%0.23953%0.529CS..Hα-helixtrans-64.6-48173.9-76.4-177.9174.2-166.10112.7L250 A251 H252 R256 Q257 E258L250-K254 WeakPolarHBondContact O-CG 3.49Å; L250-K254 PolarHBondContact O-N 2.86Å; A251-K254 PolarHBondContact O-N 3.39Å; H252-K254 VanDerWaalsContact C-N 3.32Å; H252-K254 PolarHBondContact O-N 3.46Å; K254-R256 PolarHBondContact O-N 2.88Å; K254-Q257 CarbonylContact O-C 3.6Å; K254-Q257 WeakPolarHBondContact O-CA 3.46Å; K254-Q257 WeakPolarHBondContact O-CB 3.48Å; K254-Q257 PolarHBondContact O-N 2.84Å; K254-E258 WeakPolarHBondContact O-CB 3.41Å; K254-E258 WeakPolarHBondContact O-CG 3.48Å; K254-E258 PolarHBondContact O-N 3.17Å
255S83Confident78.3Confident64 Ų64104.2 Ų104.245%0.44852%0.524SS..Hα-helixtrans-58.9-39.2177.7178.50000111.3A251 H252 Q257 E258 Q259A251-S255 WeakPolarHBondContact O-CB 3.46Å; A251-S255 PolarHBondContact O-N 2.82Å; H252-S255 PolarHBondContact O-N 3.28Å; S255-Q257 VanDerWaalsContact C-N 3.33Å; S255-Q257 PolarHBondContact O-N 3.35Å; S255-E258 PolarHBondContact O-N 2.81Å; S255-Q259 WeakPolarHBondContact O-CG 3.33Å; S255-Q259 PolarHBondContact O-N 3.34Å
256R82Confident77.5Confident190 Ų190100.7 Ų100.772%0.71751%0.513SS*.Hα-helixtrans-64.9-32.2173.8-173.5179.3173.9-172.1-0.7113.4H252 E253 K254H252-R256 WeakPolarHBondContact O-CB 3.5Å; H252-R256 PolarHBondContact O-N 3.44Å; E253-R256 PolarHBondContact O-N 3.47Å; K254-R256 PolarHBondContact O-N 2.88Å
257Q76.8Confident76.5Confident103 Ų103104.5 Ų104.548%0.48154%0.539SS..Hα-helixtrans-79-30.4176-72.8175.53.700113.2E253 K254 S255E253-Q257 WeakPolarHBondContact O-CG 3.44Å; E253-Q257 PolarHBondContact O-N 3.48Å; E253-Q257 VanDerWaalsContact O-N 3.1Å; K254-Q257 CarbonylContact O-C 3.6Å; K254-Q257 WeakPolarHBondContact O-CA 3.46Å; K254-Q257 WeakPolarHBondContact O-CB 3.48Å; K254-Q257 PolarHBondContact O-N 2.84Å; S255-Q257 VanDerWaalsContact C-N 3.33Å; S255-Q257 PolarHBondContact O-N 3.35Å
258E75.7Confident75.7Confident149 Ų149107.4 Ų107.470%0.69655%0.554SS**Hα-helixtrans-87.8-14.7179.7-71.1171.4-174.600112.5K254 S255 P260K254-E258 WeakPolarHBondContact O-CB 3.41Å; K254-E258 WeakPolarHBondContact O-CG 3.48Å; K254-E258 PolarHBondContact O-N 3.17Å; S255-E258 PolarHBondContact O-N 2.81Å; E258-P260 VanDerWaalsContact O-CD 3.24Å; E258-P260 WeakPolarHBondContact O-CD 3.44Å
259Q66.4Low74.7Confident129 Ų129106.9 Ų106.960%0.60355%0.552SS**SBendtrans-55.6115.3172.3-91.6179.9-4.500108.8S255S255-Q259 WeakPolarHBondContact O-CG 3.33Å; S255-Q259 PolarHBondContact O-N 3.34Å
260P64.2Low73.6Confident111 Ų111104.1 Ų104.172%0.72154%0.544SS*.  trans-58.7145.216926.2-31.5000107.6E258 S262E258-P260 VanDerWaalsContact O-CD 3.24Å; E258-P260 WeakPolarHBondContact O-CD 3.44Å; P260-S262 PolarHBondContact O-N 3.08Å
261V62.8Low72.4Confident110 Ų110108.2 Ų108.267%0.66757%0.565SS**  trans-40.5119.6177.6-167.80000108F263V261-F263 WeakPolarHBondContact CG1-O 3.38Å; V261-F263 CarbonylContact O-C 3.53Å; V261-F263 PolarHBondContact O-N 3.48Å
262S63Low71.4Confident111 Ų111115.2 Ų115.278%0.77659%0.586SS**SBendtrans-62.6-3.9-162.749.10000114.7P260P260-S262 PolarHBondContact O-N 3.08Å
263F67.2Low70.4Confident130 Ų130116.6 Ų116.657%0.5759%0.593SS**SBendtrans-147.1139.9169.843.1-87.6000106.3V261 T265V261-F263 WeakPolarHBondContact CG1-O 3.38Å; V261-F263 CarbonylContact O-C 3.53Å; V261-F263 PolarHBondContact O-N 3.48Å; F263-T265 HydrophobicContact CD2-CG2 4.43Å; F263-T265 HydrophobicContact CE2-CG2 4.19Å; F263-T265 PolarHBondContact O-N 3.03Å
264K65.4Low69Low212 Ų212118 Ų11892%0.92260%0.6SS**  trans-66.5102.9162.5-72.1179.5179.9177.90105.4D266K264-D266 PolarHBondContact O-N 3.41Å
265T65.1Low67.8Low70 Ų70121.7 Ų121.743%0.42962%0.622SS.*  trans-62.1123.9168.3-21.30000106.9F263F263-T265 HydrophobicContact CD2-CG2 4.43Å; F263-T265 HydrophobicContact CE2-CG2 4.19Å; F263-T265 PolarHBondContact O-N 3.03Å
266D70.7Confident66.6Low88 Ų88124.7 Ų124.747%0.47164%0.637SS.*  trans-67.4128.8179-155.4-24.5000107.3K264 L268 D269K264-D266 PolarHBondContact O-N 3.41Å; D266-L268 PolarHBondContact O-N 2.97Å; D266-D269 PolarHBondContact N-OD2 2.98Å; D266-D269 WeakPolarHBondContact O-CB 3.35Å; D266-D269 PolarHBondContact O-N 3.19Å
267P68.8Low65.5Low115 Ų115122.5 Ų122.575%0.74764%0.64SS**THydrogen-bonded Turntrans-56.4-16178.3-25.333.6000113.9
268L69.2Low64.5Low111 Ų111124 Ų12458%0.58165%0.647SS**THydrogen-bonded Turntrans-81.7-16.3175.7-57.7172.1000113.8D266 D270 I271D266-L268 PolarHBondContact O-N 2.97Å; L268-D270 VanDerWaalsContact C-N 3.26Å; L268-D270 PolarHBondContact O-N 3.27Å; L268-I271 HydrophobicContact CB-CD1 3.88Å; L268-I271 HydrophobicContact CD2-CD1 3.21Å; L268-I271 HydrophobicContact CG-CD1 4.1Å; L268-I271 WeakPolarHBondContact O-CB 3.41Å; L268-I271 WeakPolarHBondContact O-CG1 3.12Å; L268-I271 PolarHBondContact O-N 3Å
269D67.9Low63.5Low103 Ų103121.7 Ų121.755%0.55164%0.639SS**THydrogen-bonded Turntrans-66-28-176.2-80.4-24.8000112.5D266D266-D269 PolarHBondContact N-OD2 2.98Å; D266-D269 WeakPolarHBondContact O-CB 3.35Å; D266-D269 PolarHBondContact O-N 3.19Å
270D67.6Low62.8Low82 Ų82124.5 Ų124.544%0.43965%0.649SS.*THydrogen-bonded Turntrans-94.11.2-178.5-74.4-19.8000113.7L268 F272 Q273L268-D270 VanDerWaalsContact C-N 3.26Å; L268-D270 PolarHBondContact O-N 3.27Å; D270-F272 VanDerWaalsContact C-N 3.27Å; D270-F272 PolarHBondContact O-N 3.07Å; D270-Q273 PolarHBondContact O-N 3.41Å
271I62.9Low62.3Low96 Ų96125.7 Ų125.749%0.49265%0.649SS.*THydrogen-bonded Turntrans-64.1-30-172.1-72.6179.8000113.3L268L268-I271 HydrophobicContact CB-CD1 3.88Å; L268-I271 HydrophobicContact CD2-CD1 3.21Å; L268-I271 HydrophobicContact CG-CD1 4.1Å; L268-I271 WeakPolarHBondContact O-CB 3.41Å; L268-I271 WeakPolarHBondContact O-CG1 3.12Å; L268-I271 PolarHBondContact O-N 3Å
272F65.1Low61.9Low196 Ų196124.9 Ų124.986%0.8665%0.648SS**THydrogen-bonded Turntrans-94.91.3-176.3-66.9-79.4000113.9D270D270-F272 VanDerWaalsContact C-N 3.27Å; D270-F272 PolarHBondContact O-N 3.07Å
273Q66.2Low61.2Low161 Ų161124.1 Ų124.175%0.75265%0.649SS**THydrogen-bonded Turntrans-113.5-9.5-174.4-63.7-173.211.800114.4D270D270-Q273 PolarHBondContact O-N 3.41Å
274Q57Low60.1Low93 Ų93122.2 Ų122.244%0.43566%0.657SS.*  trans-103.2111.7-175.5-68.6-176.23.600112.1V276Q274-V276 PolarHBondContact O-N 2.95Å
275D57.7Low58.8Low131 Ų131115.3 Ų115.370%0.70165%0.646SS**  trans-58.6132.2165.5-99.7-28.8000109.9N277 E278D275-N277 PolarHBondContact O-N 3.22Å; D275-E278 PolarHBondContact O-N 3.33Å
276V57.9Low57.6Low128 Ų128121.9 Ų121.978%0.77667%0.669SS**THydrogen-bonded Turntrans-57-13.2-169-169.10000113.8Q274Q274-V276 PolarHBondContact O-N 2.95Å
277N57.3Low56Low144 Ų144125.3 Ų125.377%0.7769%0.687SS**THydrogen-bonded Turntrans-89.4-14.6-179.9-74-28.5000115D275D275-N277 PolarHBondContact O-N 3.22Å
278E56.8Low54.9Low134 Ų134124.9 Ų124.963%0.62668%0.682SS**G310 helixtrans-87.3-19.8-176-66.8-165.2152.100114.1D275 K280 N281D275-E278 PolarHBondContact O-N 3.33Å; E278-K280 PolarHBondContact O-N 3.06Å; E278-K280 VanDerWaalsContact O-N 3.14Å; E278-N281 PolarHBondContact O-N 3.47Å
279L54.7Low53.8Low101 Ų101128.5 Ų128.553%0.52969%0.693SS.*G310 helixtrans-66-14.6-178.6-82150.8000114.5
280K52.3Low52.9Low188 Ų188131.1 Ų131.182%0.81770%0.7SS**G310 helixtrans-86.4-17.2178.1-78.6-178.8176.9174.70114.5E278E278-K280 PolarHBondContact O-N 3.06Å; E278-K280 VanDerWaalsContact O-N 3.14Å
281N52.7Low52.2Low136 Ų136130.1 Ų130.173%0.72770%0.699SS**THydrogen-bonded Turntrans-103.8-10.9-174.5-68.3-24.7000113.9E278E278-N281 PolarHBondContact O-N 3.47Å
282S53.6Low52.1Low92 Ų92129.9 Ų129.964%0.64370%0.699SS**THydrogen-bonded Turntrans-87.1-8.3-174.951.40000114.7A284S282-A284 VanDerWaalsContact C-N 3.25Å; S282-A284 PolarHBondContact O-N 3.21Å
283A49.2Very low51.7Low96 Ų96121.1 Ų121.179%0.79366%0.663SS**THydrogen-bonded Turntrans-75.8-5.5177.200000114.4G285A283-G285 PolarHBondContact O-N 3.36Å
284A43.1Very low51.6Low90 Ų90115.2 Ų115.274%0.74465%0.645SS**SBendtrans-92.985.6179.600000112.4S282S282-A284 VanDerWaalsContact C-N 3.25Å; S282-A284 PolarHBondContact O-N 3.21Å
285G39.6Very low52.1Low67 Ų67116.8 Ų116.869%0.69165%0.651SS**  trans56.375.5142.500000119.3A283 N287A283-G285 PolarHBondContact O-N 3.36Å; G285-N287 VanDerWaalsContact C-N 3.32Å; G285-N287 PolarHBondContact O-N 3.27Å
286K39.1Very low52.5Low207 Ų207115 Ų11590%0.964%0.638SS**  trans-73.285.8156.8-80.2179.3-179.6169.70110.1V288K286-V288 VanDerWaalsContact C-N 3.34Å; K286-V288 PolarHBondContact O-N 3.18Å
287N38.1Very low53Low160 Ų160110.5 Ų110.586%0.85661%0.608SS**  trans-66.593164.7-105.1-36.9000109.1G285 K289G285-N287 VanDerWaalsContact C-N 3.32Å; G285-N287 PolarHBondContact O-N 3.27Å; N287-K289 PolarHBondContact O-N 2.93Å
288V45.6Very low53.8Low107 Ų107105.9 Ų105.965%0.64859%0.59SS**  trans-65.1118.2177.4-179.60000108.8K286 K290K286-V288 VanDerWaalsContact C-N 3.34Å; K286-V288 PolarHBondContact O-N 3.18Å; V288-K290 HydrophobicContact CG1-CG 4.12Å; V288-K290 PolarHBondContact O-N 3.18Å
289K44.9Very low54.7Low187 Ų187105.9 Ų105.981%0.81359%0.59SS**  trans-59.272.6172.3-69.9178.7177.8175.50111.5N287N287-K289 PolarHBondContact O-N 2.93Å
290K48.4Very low55.6Low158 Ų158102.3 Ų102.369%0.68757%0.572SS**  trans-88.75.1176.2-98179.2177178.10113.5V288V288-K290 HydrophobicContact CG1-CG 4.12Å; V288-K290 PolarHBondContact O-N 3.18Å
291S54.5Low56.8Low61 Ų6198.6 Ų98.643%0.42756%0.556SS.*SBendtrans-90.2-24.2-16958.90000116.4K295S291-K295 WeakPolarHBondContact O-CD 3.42Å; S291-K295 VanDerWaalsContact O-CG 3.3Å; S291-K295 WeakPolarHBondContact O-CG 3.4Å; S291-K295 PolarHBondContact O-N 2.65Å
292D60.4Low58.1Low90 Ų9099.2 Ų99.248%0.48155%0.552SS.*Hα-helixtrans-88.1-37.9-165.2-70.4-13.6000113.9G294 K295 Q296D292-G294 VanDerWaalsContact C-N 3.32Å; D292-G294 PolarHBondContact O-N 3.01Å; D292-K295 PolarHBondContact O-N 3.08Å; D292-Q296 WeakPolarHBondContact O-CG 3.31Å; D292-Q296 PolarHBondContact O-N 2.97Å
293A57.3Low59.2Low12 Ų12100.8 Ų100.810%0.09955%0.548CS..Hα-helixtrans-64.5-37.1177.100000112.2Q296 F297A293-Q296 PolarHBondContact O-N 3.15Å; A293-F297 WeakPolarHBondContact O-CB 3.12Å; A293-F297 PolarHBondContact O-N 2.61Å
294G63.8Low60.5Low38 Ų3898.6 Ų98.639%0.39252%0.521SS..Hα-helixtrans-63.6-44.2174.500000112.6D292 F297 A298D292-G294 VanDerWaalsContact C-N 3.32Å; D292-G294 PolarHBondContact O-N 3.01Å; G294-F297 PolarHBondContact O-N 3.15Å; G294-A298 WeakPolarHBondContact O-CB 3.31Å; G294-A298 PolarHBondContact O-N 3.17Å
295K67.5Low62.3Low125 Ų125101.8 Ų101.854%0.54352%0.518SS..Hα-helixtrans-62.9-44.1176.3-73.6173.2-175.5174.40111.7S291 D292 A298 Q299S291-K295 WeakPolarHBondContact O-CD 3.42Å; S291-K295 VanDerWaalsContact O-CG 3.3Å; S291-K295 WeakPolarHBondContact O-CG 3.4Å; S291-K295 PolarHBondContact O-N 2.65Å; D292-K295 PolarHBondContact O-N 3.08Å; K295-A298 PolarHBondContact O-N 3.36Å; K295-Q299 WeakPolarHBondContact O-CG 3.12Å; K295-Q299 PolarHBondContact O-N 2.82Å
296Q66.1Low64.3Low94 Ų94102.2 Ų102.244%0.43951%0.507SS..Hα-helixtrans-62.8-43.5177.1-70.4-178.117.600111.8L250 D292 A293 A298 Q299 V300L250-Q296 HydrophobicContact CD2-CB 4.05Å; D292-Q296 WeakPolarHBondContact O-CG 3.31Å; D292-Q296 PolarHBondContact O-N 2.97Å; A293-Q296 PolarHBondContact O-N 3.15Å; Q296-A298 VanDerWaalsContact C-N 3.33Å; Q296-A298 PolarHBondContact O-N 3.26Å; Q296-Q299 PolarHBondContact O-N 2.94Å; Q296-V300 WeakPolarHBondContact O-CG2 3.5Å; Q296-V300 PolarHBondContact O-N 2.84Å
297F67.7Low66.2Low34 Ų3494.2 Ų94.215%0.14947%0.474CS..Hα-helixtrans-63.1-39.1176.6-159.6-108.3000112.6M247 L250 A293 G294 K301M247-F297 HydrophobicContact CE-CD2 4.47Å; M247-F297 HydrophobicContact CE-CE1 4.5Å; M247-F297 HydrophobicContact CE-CE2 3.61Å; M247-F297 HydrophobicContact CE-CZ 3.63Å; M247-F297 HydrophobicContact SD-CE2 4.18Å; L250-F297 HydrophobicContact CB-CD2 3.77Å; L250-F297 HydrophobicContact CB-CE2 4.23Å; L250-F297 HydrophobicContact CD1-CD2 4.03Å; A293-F297 WeakPolarHBondContact O-CB 3.12Å; A293-F297 PolarHBondContact O-N 2.61Å; G294-F297 PolarHBondContact O-N 3.15Å; F297-K301 HydrophobicContact CD1-CD 3.99Å; F297-K301 HydrophobicContact CD1-CG 4.45Å; F297-K301 HydrophobicContact CE1-CD 3.89Å; F297-K301 HydrophobicContact CE1-CG 4.46Å; F297-K301 WeakPolarHBondContact O-CB 3Å; F297-K301 PolarHBondContact O-N 3.18Å
298A74.7Confident68.2Low46 Ų4689.3 Ų89.338%0.3845%0.448SS..Hα-helixtrans-65.5-40.3174.800000111.9G294 K295 Q296 K302G294-A298 WeakPolarHBondContact O-CB 3.31Å; G294-A298 PolarHBondContact O-N 3.17Å; K295-A298 PolarHBondContact O-N 3.36Å; Q296-A298 VanDerWaalsContact C-N 3.33Å; Q296-A298 PolarHBondContact O-N 3.26Å; A298-K302 WeakPolarHBondContact O-CB 3.43Å; A298-K302 VanDerWaalsContact O-CG 3.3Å; A298-K302 WeakPolarHBondContact O-CG 3.34Å; A298-K302 PolarHBondContact O-N 3.16Å
299Q76Confident70Confident134 Ų13492.6 Ų92.663%0.62645%0.449SS*.Hα-helixtrans-62.6-46.9175.2-75.3177.7-4.200111.8K295 Q296 K302 F303K295-Q299 WeakPolarHBondContact O-CG 3.12Å; K295-Q299 PolarHBondContact O-N 2.82Å; Q296-Q299 PolarHBondContact O-N 2.94Å; Q299-K302 PolarHBondContact O-N 2.8Å; Q299-F303 PolarHBondContact O-N 3.21Å
300V72.5Confident71.6Confident27 Ų2791 Ų9116%0.16444%0.442CS..Hα-helixtrans-64.7-42.6178.1177.90000111.3V246 M247 L250 Q296 K302 F303 Q304V246-V300 HydrophobicContact CG1-CG1 4.13Å; V246-V300 HydrophobicContact CG1-CG2 3.87Å; M247-V300 HydrophobicContact CG-CG1 4.25Å; M247-V300 HydrophobicContact SD-CB 4.32Å; M247-V300 HydrophobicContact SD-CG1 3.51Å; M247-V300 VanDerWaalsContact SD-CG1 3.51Å; L250-V300 HydrophobicContact CD1-CB 4.15Å; L250-V300 HydrophobicContact CD1-CG2 3.72Å; Q296-V300 WeakPolarHBondContact O-CG2 3.5Å; Q296-V300 PolarHBondContact O-N 2.84Å; V300-K302 VanDerWaalsContact C-N 3.35Å; V300-K302 PolarHBondContact O-N 3.09Å; V300-F303 WeakPolarHBondContact O-CB 3.39Å; V300-F303 PolarHBondContact O-N 2.88Å; V300-Q304 WeakPolarHBondContact O-CB 2.86Å; V300-Q304 PolarHBondContact O-N 3.47Å
301K77.4Confident73Confident109 Ų10988.6 Ų88.647%0.47443%0.428SS..Hα-helixtrans-61.4-40.3173.8-82.9-174.1168.7-179.30112.5M247 F297 Q304 K305M247-K301 HydrophobicContact CE-CG 4.45Å; F297-K301 HydrophobicContact CD1-CD 3.99Å; F297-K301 HydrophobicContact CD1-CG 4.45Å; F297-K301 HydrophobicContact CE1-CD 3.89Å; F297-K301 HydrophobicContact CE1-CG 4.46Å; F297-K301 WeakPolarHBondContact O-CB 3Å; F297-K301 PolarHBondContact O-N 3.18Å; K301-Q304 PolarHBondContact O-N 2.86Å; K301-K305 WeakPolarHBondContact O-CG 3.33Å; K301-K305 PolarHBondContact O-N 3.19Å
302K80.2Confident74.2Confident150 Ų15094.8 Ų94.865%0.65244%0.442SS*.Hα-helixtrans-62.3-45.3174.3-78.4178.2-179-177.20110.8A298 Q299 V300 Q304 K305 V306A298-K302 WeakPolarHBondContact O-CB 3.43Å; A298-K302 VanDerWaalsContact O-CG 3.3Å; A298-K302 WeakPolarHBondContact O-CG 3.34Å; A298-K302 PolarHBondContact O-N 3.16Å; Q299-K302 PolarHBondContact O-N 2.8Å; V300-K302 VanDerWaalsContact C-N 3.35Å; V300-K302 PolarHBondContact O-N 3.09Å; K302-Q304 PolarHBondContact O-N 3.47Å; K302-K305 PolarHBondContact O-N 3.32Å; K302-V306 WeakPolarHBondContact O-CG2 3.31Å; K302-V306 PolarHBondContact O-N 3.23Å
303F77.1Confident75.1Confident124 Ų12497.3 Ų97.354%0.54445%0.449SS..Hα-helixtrans-61.1-43.4176.9-171.6-106.8000112.2L243 Q299 V300 K305 V306 I307L243-F303 HydrophobicContact CD2-CD1 4.19Å; L243-F303 HydrophobicContact CD2-CE1 4.42Å; Q299-F303 PolarHBondContact O-N 3.21Å; V300-F303 WeakPolarHBondContact O-CB 3.39Å; V300-F303 PolarHBondContact O-N 2.88Å; F303-K305 PolarHBondContact O-N 3.29Å; F303-V306 PolarHBondContact O-N 3.13Å; F303-I307 HydrophobicContact CD1-CD1 3.75Å; F303-I307 HydrophobicContact CE1-CD1 3.4Å; F303-I307 VanDerWaalsContact CE1-CD1 3.4Å; F303-I307 HydrophobicContact CE1-CG1 4.32Å; F303-I307 HydrophobicContact CZ-CD1 4.01Å; F303-I307 PolarHBondContact O-N 3.37Å
304Q76.7Confident76Confident51 Ų51103.1 Ų103.124%0.23847%0.472CS..Hα-helixtrans-58.6-48174.4-175.957.643.700111.8L243 V300 K301 K302 V306 I307 D308L243-Q304 VanDerWaalsContact CD1-OE1 3.22Å; V300-Q304 WeakPolarHBondContact O-CB 2.86Å; V300-Q304 PolarHBondContact O-N 3.47Å; K301-Q304 PolarHBondContact O-N 2.86Å; K302-Q304 PolarHBondContact O-N 3.47Å; Q304-V306 VanDerWaalsContact C-N 3.28Å; Q304-V306 PolarHBondContact O-N 3.02Å; Q304-I307 PolarHBondContact O-N 2.9Å; Q304-I307 VanDerWaalsContact O-N 3.12Å; Q304-D308 VanDerWaalsContact NE2-CG 3.32Å; Q304-D308 PolarHBondContact NE2-OD1 3.07Å; Q304-D308 VanDerWaalsContact NE2-OD1 3.17Å; Q304-D308 PolarHBondContact NE2-OD2 3.22Å; Q304-D308 PolarHBondContact O-N 2.73Å
305K81.5Confident76.5Confident157 Ų157106.2 Ų106.268%0.68348%0.48SS*.Hα-helixtrans-58.6-38.1176.3-75.7-177.8179.3-175.60112.4K301 K302 F303 D308 R309K301-K305 WeakPolarHBondContact O-CG 3.33Å; K301-K305 PolarHBondContact O-N 3.19Å; K302-K305 PolarHBondContact O-N 3.32Å; F303-K305 PolarHBondContact O-N 3.29Å; K305-D308 PolarHBondContact O-N 3.03Å; K305-R309 VanDerWaalsContact O-CB 3.31Å; K305-R309 WeakPolarHBondContact O-CB 3.35Å; K305-R309 PolarHBondContact O-N 2.72Å
306V81.1Confident76.9Confident75 Ų75109.2 Ų109.246%0.45549%0.487SS..Hα-helixtrans-65.6-43.6176.2173.10000111.1K302 F303 Q304 R309 K310K302-V306 WeakPolarHBondContact O-CG2 3.31Å; K302-V306 PolarHBondContact O-N 3.23Å; F303-V306 PolarHBondContact O-N 3.13Å; Q304-V306 VanDerWaalsContact C-N 3.28Å; Q304-V306 PolarHBondContact O-N 3.02Å; V306-R309 PolarHBondContact O-N 2.93Å; V306-K310 HydrophobicContact CG1-CD 4.49Å; V306-K310 WeakPolarHBondContact O-CG 3.47Å; V306-K310 PolarHBondContact O-N 2.87Å
307I77.6Confident77.2Confident39 Ų39106.9 Ų106.920%0.249%0.488CS..Hα-helixtrans-60.8-47175.7-69.3174.4000110.6L243 F303 Q304 R309 K310 R311L243-I307 HydrophobicContact CD1-CD1 4.08Å; L243-I307 HydrophobicContact CD2-CD1 4.47Å; F303-I307 HydrophobicContact CD1-CD1 3.75Å; F303-I307 HydrophobicContact CE1-CD1 3.4Å; F303-I307 VanDerWaalsContact CE1-CD1 3.4Å; F303-I307 HydrophobicContact CE1-CG1 4.32Å; F303-I307 HydrophobicContact CZ-CD1 4.01Å; F303-I307 PolarHBondContact O-N 3.37Å; Q304-I307 PolarHBondContact O-N 2.9Å; Q304-I307 VanDerWaalsContact O-N 3.12Å; I307-R309 VanDerWaalsContact C-N 3.35Å; I307-R309 PolarHBondContact O-N 3.26Å; I307-K310 PolarHBondContact O-N 2.74Å; I307-R311 HydrophobicContact CG2-CG 4.46Å; I307-R311 WeakPolarHBondContact O-CG 3.46Å; I307-R311 PolarHBondContact O-N 3.11Å
308D80.2Confident77.2Confident58 Ų58111.2 Ų111.231%0.3150%0.504SS..Hα-helixtrans-66.4-37-179.4-68.3-30.6000112Q304 K305 R311 R312Q304-D308 VanDerWaalsContact NE2-CG 3.32Å; Q304-D308 PolarHBondContact NE2-OD1 3.07Å; Q304-D308 VanDerWaalsContact NE2-OD1 3.17Å; Q304-D308 PolarHBondContact NE2-OD2 3.22Å; Q304-D308 PolarHBondContact O-N 2.73Å; K305-D308 PolarHBondContact O-N 3.03Å; D308-R311 PolarHBondContact O-N 3.02Å; D308-R312 WeakPolarHBondContact O-CB 3.33Å; D308-R312 WeakPolarHBondContact O-CG 3.37Å; D308-R312 PolarHBondContact O-N 3.08Å
309R83.3Confident76.9Confident176 Ų176112 Ų11266%0.66451%0.51SS*.Hα-helixtrans-62.9-43.1172.5-167.1176.9-174.8-170.81.3111.5K305 V306 I307 R312 K313K305-R309 VanDerWaalsContact O-CB 3.31Å; K305-R309 WeakPolarHBondContact O-CB 3.35Å; K305-R309 PolarHBondContact O-N 2.72Å; V306-R309 PolarHBondContact O-N 2.93Å; I307-R309 VanDerWaalsContact C-N 3.35Å; I307-R309 PolarHBondContact O-N 3.26Å; R309-R312 PolarHBondContact O-N 2.89Å; R309-K313 PolarHBondContact O-N 2.95Å
310K79.2Confident76.5Confident153 Ų153112 Ų11267%0.66551%0.51SS*.Hα-helixtrans-62.9-41.3174.7-74.9-177.9179-178.10111.5V306 I307 K314V306-K310 HydrophobicContact CG1-CD 4.49Å; V306-K310 WeakPolarHBondContact O-CG 3.47Å; V306-K310 PolarHBondContact O-N 2.87Å; I307-K310 PolarHBondContact O-N 2.74Å; K310-K314 PolarHBondContact O-N 3.34Å; K310-K314 VanDerWaalsContact O-N 3.08Å
311R77.4Confident76.2Confident108 Ų108118.1 Ų118.141%0.40853%0.534SS..Hα-helixtrans-62.2-46.4175.4-72.8174.4176.7-167.6-4.4112S239 I307 D308 K314 N315S239-R311 PolarHBondContact OG-NH2 2.94Å; I307-R311 HydrophobicContact CG2-CG 4.46Å; I307-R311 WeakPolarHBondContact O-CG 3.46Å; I307-R311 PolarHBondContact O-N 3.11Å; D308-R311 PolarHBondContact O-N 3.02Å; R311-K314 PolarHBondContact O-N 3.25Å; R311-N315 PolarHBondContact O-N 2.97Å
312R80Confident75.5Confident190 Ų190115.5 Ų115.572%0.71753%0.533SS*.Hα-helixtrans-60.7-46.9176.8-74.4179178.2-173.9-0.5112.3D308 R309 K314 N315 R316D308-R312 WeakPolarHBondContact O-CB 3.33Å; D308-R312 WeakPolarHBondContact O-CG 3.37Å; D308-R312 PolarHBondContact O-N 3.08Å; R309-R312 PolarHBondContact O-N 2.89Å; R312-K314 VanDerWaalsContact C-N 3.34Å; R312-K314 PolarHBondContact O-N 3.45Å; R312-N315 PolarHBondContact O-N 2.99Å; R312-R316 PolarHBondContact O-N 3.4Å
313K79.9Confident74.5Confident143 Ų143111.2 Ų111.262%0.62252%0.522SS*.Hα-helixtrans-58-44.4175.8-77.1-170.4176.1-169.50111.9R309 N315 R316 G317R309-K313 PolarHBondContact O-N 2.95Å; K313-N315 PolarHBondContact O-N 3.23Å; K313-R316 PolarHBondContact O-N 2.95Å; K313-G317 PolarHBondContact O-N 3.28Å; K313-G317 VanDerWaalsContact O-N 3.11Å
314K76.2Confident73.6Confident135 Ų135111.8 Ų111.859%0.58753%0.525SS*.Hα-helixtrans-65.3-36.8178.6-170.6172.4-175.7168.60113.1K310 R311 R312 R318K310-K314 PolarHBondContact O-N 3.34Å; K310-K314 VanDerWaalsContact O-N 3.08Å; R311-K314 PolarHBondContact O-N 3.25Å; R312-K314 VanDerWaalsContact C-N 3.34Å; R312-K314 PolarHBondContact O-N 3.45Å; K314-R318 WeakPolarHBondContact O-CG 3.31Å; K314-R318 PolarHBondContact O-N 2.92Å
315N74.9Confident72.4Confident103 Ų103114.4 Ų114.455%0.55154%0.539SS*.Hα-helixtrans-69.4-41.2176.5-74.1-7000111.8R311 R312 K313 G317 R318 A319R311-N315 PolarHBondContact O-N 2.97Å; R312-N315 PolarHBondContact O-N 2.99Å; K313-N315 PolarHBondContact O-N 3.23Å; N315-G317 PolarHBondContact O-N 2.8Å; N315-R318 PolarHBondContact O-N 3.43Å; N315-A319 PolarHBondContact O-N 2.83Å
316R75.5Confident71.1Confident187 Ų187111.4 Ų111.471%0.70653%0.534SS*.Hα-helixtrans-59.7-45.5174.3-74.6-175.6174.1-177.4-3.4112.5R312 K313 R318 A319 H320R312-R316 PolarHBondContact O-N 3.4Å; K313-R316 PolarHBondContact O-N 2.95Å; R316-R318 PolarHBondContact O-N 3.17Å; R316-A319 PolarHBondContact O-N 3.44Å; R316-H320 PolarHBondContact O-CD2 3.29Å; R316-H320 PolarHBondContact O-N 2.81Å; R316-H320 VanDerWaalsContact O-N 3.07Å
317G72.4Confident69.8Low45 Ų45110.8 Ų110.846%0.46454%0.537SS..Hα-helixtrans-61.4-30.617700000113.6K313 N315 K321K313-G317 PolarHBondContact O-N 3.28Å; K313-G317 VanDerWaalsContact O-N 3.11Å; N315-G317 PolarHBondContact O-N 2.8Å; G317-K321 PolarHBondContact O-N 3.26Å
318R66.5Low68.5Low125 Ų125114.2 Ų114.247%0.47256%0.556SS.*Hα-helixtrans-75.5-39.2174.8-75178170.9-179.6-3.7112.9K314 N315 R316 K321 A322K314-R318 WeakPolarHBondContact O-CG 3.31Å; K314-R318 PolarHBondContact O-N 2.92Å; N315-R318 PolarHBondContact O-N 3.43Å; R316-R318 PolarHBondContact O-N 3.17Å; R318-K321 PolarHBondContact O-N 2.79Å; R318-A322 WeakPolarHBondContact O-CB 3.24Å; R318-A322 PolarHBondContact O-N 2.78Å
319A70.1Confident67Low62 Ų62118 Ų11851%0.51258%0.576SS.*Hα-helixtrans-60.6-46175.800000110.9N315 R316 K321 A322 S323N315-A319 PolarHBondContact O-N 2.83Å; R316-A319 PolarHBondContact O-N 3.44Å; A319-K321 VanDerWaalsContact C-N 3.33Å; A319-K321 PolarHBondContact O-N 2.81Å; A319-A322 PolarHBondContact O-N 2.74Å; A319-S323 PolarHBondContact O-N 3.12Å; A319-S323 PolarHBondContact O-OG 3.46Å
320H66.9Low65.1Low136 Ų136115 Ų11563%0.6358%0.577SS**Hα-helixtrans-61-37.7174.4-79.8-65.2000113.4R316 S323 K324R316-H320 PolarHBondContact O-CD2 3.29Å; R316-H320 PolarHBondContact O-N 2.81Å; R316-H320 VanDerWaalsContact O-N 3.07Å; H320-S323 WeakPolarHBondContact CA-OG 3.1Å; H320-S323 PolarHBondContact O-OG 2.75Å; H320-K324 WeakPolarHBondContact O-CB 3.12Å; H320-K324 PolarHBondContact O-N 2.97Å; H320-K324 VanDerWaalsContact O-N 3.08Å
321K66.6Low63.5Low154 Ų154112.5 Ų112.567%0.6758%0.579SS**Hα-helixtrans-70.7-35177.4-164.4168.4-175.1170.80112.2G317 R318 A319 L325G317-K321 PolarHBondContact O-N 3.26Å; R318-K321 PolarHBondContact O-N 2.79Å; A319-K321 VanDerWaalsContact C-N 3.33Å; A319-K321 PolarHBondContact O-N 2.81Å; K321-L325 WeakPolarHBondContact O-CD1 3.49Å; K321-L325 WeakPolarHBondContact O-CG 3.48Å; K321-L325 PolarHBondContact O-N 2.95Å
322A62Low61.8Low55 Ų55113 Ų11346%0.45560%0.596SS.*Hα-helixtrans-68.5-42.8174.900000111.7R318 A319 K324 L325 T326R318-A322 WeakPolarHBondContact O-CB 3.24Å; R318-A322 PolarHBondContact O-N 2.78Å; A319-A322 PolarHBondContact O-N 2.74Å; A322-K324 VanDerWaalsContact C-N 3.31Å; A322-K324 PolarHBondContact O-N 3Å; A322-L325 PolarHBondContact O-N 3.39Å; A322-T326 PolarHBondContact O-N 3.25Å; A322-T326 VanDerWaalsContact O-N 3.15Å; A322-T326 PolarHBondContact O-OG1 3.38Å
323S60Low60.1Low59 Ų59113 Ų11341%0.41360%0.601SS.*Hα-helixtrans-66.1-33.3177.5660000112.7A319 H320 T326 A327A319-S323 PolarHBondContact O-N 3.12Å; A319-S323 PolarHBondContact O-OG 3.46Å; H320-S323 WeakPolarHBondContact CA-OG 3.1Å; H320-S323 PolarHBondContact O-OG 2.75Å; S323-T326 WeakPolarHBondContact CA-OG1 3.13Å; S323-T326 PolarHBondContact O-N 3.38Å; S323-T326 PolarHBondContact O-OG1 3.23Å; S323-A327 WeakPolarHBondContact O-CB 3.2Å; S323-A327 PolarHBondContact O-N 3.34Å
324K57.1Low58.4Low137 Ų137112.9 Ų112.960%0.59661%0.613SS**Hα-helixtrans-67.7-43174.8-164.3169.6-177.6174.60111.9H320 A322 T326 A327 D328H320-K324 WeakPolarHBondContact O-CB 3.12Å; H320-K324 PolarHBondContact O-N 2.97Å; H320-K324 VanDerWaalsContact O-N 3.08Å; A322-K324 VanDerWaalsContact C-N 3.31Å; A322-K324 PolarHBondContact O-N 3Å; K324-T326 VanDerWaalsContact C-N 3.25Å; K324-T326 PolarHBondContact O-N 2.85Å; K324-A327 PolarHBondContact O-N 3.12Å; K324-D328 PolarHBondContact O-N 2.88Å
325L51.8Low56.6Low105 Ų105114.1 Ų114.155%0.5562%0.62SS.*Hα-helixtrans-63.6-27.8175.1-78.9158.4000113.6K321 A322 N329K321-L325 WeakPolarHBondContact O-CD1 3.49Å; K321-L325 WeakPolarHBondContact O-CG 3.48Å; K321-L325 PolarHBondContact O-N 2.95Å; A322-L325 PolarHBondContact O-N 3.39Å; L325-N329 PolarHBondContact O-ND2 3.01Å
326T55Low54.8Low94 Ų94116.4 Ų116.458%0.57763%0.632SS**Hα-helixtrans-81.7-35.217450.70000112.3A322 S323 K324 N329A322-T326 PolarHBondContact O-N 3.25Å; A322-T326 VanDerWaalsContact O-N 3.15Å; A322-T326 PolarHBondContact O-OG1 3.38Å; S323-T326 WeakPolarHBondContact CA-OG1 3.13Å; S323-T326 PolarHBondContact O-N 3.38Å; S323-T326 PolarHBondContact O-OG1 3.23Å; K324-T326 VanDerWaalsContact C-N 3.25Å; K324-T326 PolarHBondContact O-N 2.85Å; T326-N329 PolarHBondContact O-N 3.09Å
327A53.2Low53.2Low62 Ų62119.3 Ų119.351%0.51266%0.661SS.*Hα-helixtrans-69.7-38.7176.800000112.2S323 K324 N329 V330S323-A327 WeakPolarHBondContact O-CB 3.2Å; S323-A327 PolarHBondContact O-N 3.34Å; K324-A327 PolarHBondContact O-N 3.12Å; A327-N329 PolarHBondContact O-N 3.37Å; A327-V330 PolarHBondContact O-N 3.41Å
328D50.7Low52.2Low111 Ų111123.1 Ų123.159%0.59467%0.671SS**THydrogen-bonded Turntrans-68.5-13.5179.4-63.2-18.5000113K324K324-D328 PolarHBondContact O-N 2.88Å
329N48.6Very low51.5Low137 Ų137122.9 Ų122.973%0.73368%0.681SS**THydrogen-bonded Turntrans-99.82.7176.9-77.7-54000113.8L325 T326 A327L325-N329 PolarHBondContact O-ND2 3.01Å; T326-N329 PolarHBondContact O-N 3.09Å; A327-N329 PolarHBondContact O-N 3.37Å
330V44.1Very low50.5Low113 Ų113126.3 Ų126.369%0.68569%0.691SS**  trans-11384.4175-176.80000107.6A327A327-V330 PolarHBondContact O-N 3.41Å
331S44.3Very low49.5Very low102 Ų102125.8 Ų125.871%0.71369%0.694SS**PPolyproline II helixtrans-65.1145.2164.4-59.20000109.2
332P41.4Very low48.4Very low118 Ų118124 Ų12477%0.76670%0.696SS**PPolyproline II helixtrans-67.9137.3-169.429.7-34.4000110.1V334P332-V334 PolarHBondContact O-N 3.33Å
333K45.1Very low47.5Very low190 Ų190128.6 Ų128.683%0.82671%0.712SS**PPolyproline II helixtrans-52.9132165.1-77.2179.1173.1-178.20108.3E335K333-E335 PolarHBondContact O-N 3.4Å
334V43.1Very low46.6Very low141 Ų141133.6 Ų133.686%0.85573%0.733SS**  trans-67.6109.7166.3178.50000106.6P332P332-V334 PolarHBondContact O-N 3.33Å
335E38.6Very low45.8Very low161 Ų161133.3 Ų133.375%0.75274%0.744SS**  trans-101.1140.1159.1-75.7175.4169.200106.6K333K333-E335 PolarHBondContact O-N 3.4Å
336D38.2Very low45.3Very low150 Ų150135.7 Ų135.780%0.80276%0.76SS**  trans78.989.7169.9-54.5-22.1000119.6
337L41.7Very low44.4Very low249 Ų249139.5 Ų139.5100%1.30478%0.777SS**  -179.20119.1-97.5163000111.8

Retrieved 337 of 337 residues in 228.7 ms (Link to these results)

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