A0A087XLE9_POEFO Loading...

Ras-related protein Rab

The small GTPases Rab are key regulators in vesicle trafficking.

AlphaFold DB , UniProt , Accession A0A087XLE9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 212 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
1M37.8Very low67.3Low238 Ų238118.1 Ų118.1100%1.17258%0.582SS**  0106.20-64.5172.4-174.900105.7N3M1-N3 PolarHBondContact O-N 3.34Å
2Q40.6Very low69.8Low186 Ų186110.3 Ų110.387%0.86954%0.542SS*.  trans-67.3121.5179.6-87167-22.300108.2N4Q2-N4 VanDerWaalsContact C-N 3.29Å; Q2-N4 PolarHBondContact O-N 3.28Å
3N38.7Very low72Confident150 Ų150101.8 Ų101.880%0.80250%0.501SS*.  trans-67.291.7169.2-78.5-12.9000107.8M1 H5M1-N3 PolarHBondContact O-N 3.34Å; N3-H5 PolarHBondContact O-N 2.92Å
4N47.3Very low73.9Confident139 Ų13994.6 Ų94.674%0.74347%0.465SS*.  trans-67.587.7161-94.36.3000107Q2 L6Q2-N4 VanDerWaalsContact C-N 3.29Å; Q2-N4 PolarHBondContact O-N 3.28Å; N4-L6 VanDerWaalsContact C-N 3.29Å; N4-L6 PolarHBondContact O-N 2.93Å
5H57.6Low75.5Confident177 Ų17788.4 Ų88.482%0.81944%0.435SS*.  trans-62.7100.3160.1-106.3-67000106.3N3 K7N3-H5 PolarHBondContact O-N 2.92Å; H5-K7 PolarHBondContact O-N 2.95Å
6L65.5Low76.9Confident97 Ų9782.9 Ų82.951%0.50841%0.407SS..  trans-55.6122.6170-68.1171.1000107.1N4 E8 Q56N4-L6 VanDerWaalsContact C-N 3.29Å; N4-L6 PolarHBondContact O-N 2.93Å; L6-E8 PolarHBondContact O-N 3.04Å; L6-Q56 WeakPolarHBondContact CD2-O 3.46Å
7K77.6Confident78.1Confident87 Ų8778 Ų7838%0.37838%0.383SS..  trans-62.9129.1-179.5-163.9175.9177.7-173.40108.1H5 H9 E57 T58H5-K7 PolarHBondContact O-N 2.95Å; K7-H9 WeakPolarHBondContact CE-CE1 3.19Å; K7-E57 HydrophobicContact CB-CG 4.19Å; K7-E57 WeakPolarHBondContact CB-OE1 3.47Å; K7-E57 WeakPolarHBondContact O-CB 3.26Å; K7-T58 PolarHBondContact O-N 3.18Å
8E87.6Confident79Confident115 Ų11576.1 Ų76.154%0.53738%0.375SS..EExtended strand (participates in β ladder)trans-106128.1173.9-65.1-165.4146.200108.9L6 T58 R60L6-E8 PolarHBondContact O-N 3.04Å; E8-T58 WeakPolarHBondContact CA-O 3.19Å; E8-R60 VanDerWaalsContact CD-NH1 3.29Å; E8-R60 IonicContact OE1-CZ 3.53Å; E8-R60 IonicContact OE1-NH1 3.49Å; E8-R60 PolarHBondContact OE1-NH1 3.14Å; E8-R60 IonicContact OE1-NH2 2.81Å; E8-R60 PolarHBondContact OE1-NH2 3.35Å; E8-R60 IonicContact OE2-CZ 3.51Å; E8-R60 IonicContact OE2-NH1 2.69Å; E8-R60 PolarHBondContact OE2-NH1 3.2Å; E8-R60 IonicContact OE2-NH2 3.47Å; E8-R60 PolarHBondContact OE2-NH2 3.48Å
9H93.6Very high79.8Confident10 Ų1075.6 Ų75.65%0.04637%0.374CS..EExtended strand (participates in β ladder)trans-107.8141.3177.3-60.5-80.6000110.4K7 Y11 E57 T58 V59 R60 E181K7-H9 WeakPolarHBondContact CE-CE1 3.19Å; H9-Y11 HydrophobicContact CB-CD2 4.46Å; H9-Y11 HydrophobicContact CB-CE1 4.21Å; H9-Y11 HydrophobicContact CB-CE2 3.79Å; H9-Y11 AromaticContact CG-CZ 3.97Å; H9-Y11 AromaticContact ND1-CZ 3.94Å; H9-Y11 PolarHBondContact ND1-OH 3.32Å; H9-E57 IonicContact CD2-OE2 2.87Å; H9-E57 PolarHBondContact CD2-OE2 3.11Å; H9-E57 IonicContact CE1-OE2 2.7Å; H9-E57 IonicContact NE2-OE2 2.71Å; H9-E57 PolarHBondContact NE2-OE2 2.77Å; H9-T58 PolarHBondContact N-O 3.07Å; H9-V59 HydrophobicContact CB-CG1 4.48Å; H9-V59 HydrophobicContact CB-CG2 4.18Å; H9-R60 PolarHBondContact O-N 3.34Å; H9-E181 IonicContact CE1-OE2 3.83Å; H9-E181 IonicContact ND1-OE2 2.68Å; H9-E181 PolarHBondContact ND1-OE2 2.94Å
10L96.3Very high80.5Confident98 Ų9873 Ų7351%0.51337%0.367SS..EExtended strand (participates in β ladder)trans-127.2112.2174.6-176.869.1000109.1R60 Q62L10-R60 WeakPolarHBondContact CA-O 3.38Å; L10-R60 HydrophobicContact CD1-CB 3.62Å; L10-Q62 HydrophobicContact CD1-CG 3.73Å; L10-Q62 HydrophobicContact CG-CG 4.42Å
11Y97.5Very high81.3Confident2 Ų269.5 Ų69.51%0.00835%0.349CS..EExtended strand (participates in β ladder)trans-116.7124.7-178.5-57.4-45.7000111.3H9 V59 R60 L61 Q62 M84 I177 I178 E181H9-Y11 HydrophobicContact CB-CD2 4.46Å; H9-Y11 HydrophobicContact CB-CE1 4.21Å; H9-Y11 HydrophobicContact CB-CE2 3.79Å; H9-Y11 AromaticContact CG-CZ 3.97Å; H9-Y11 AromaticContact ND1-CZ 3.94Å; H9-Y11 PolarHBondContact ND1-OH 3.32Å; Y11-V59 HydrophobicContact CD2-CG1 3.69Å; Y11-V59 HydrophobicContact CE2-CG1 3.85Å; Y11-R60 PolarHBondContact N-O 3.13Å; Y11-L61 HydrophobicContact CD2-CD2 4.09Å; Y11-L61 WeakPolarHBondContact O-CA 3.23Å; Y11-Q62 PolarHBondContact O-N 2.73Å; Y11-M84 HydrophobicContact CD1-CB 4.28Å; Y11-M84 HydrophobicContact CD1-CG 4.13Å; Y11-I177 HydrophobicContact CD1-CG2 3.71Å; Y11-I177 HydrophobicContact CD2-CG2 3.95Å; Y11-I177 HydrophobicContact CE1-CG2 3.69Å; Y11-I177 HydrophobicContact CE2-CG2 3.92Å; Y11-I177 HydrophobicContact CG-CG2 3.85Å; Y11-I178 HydrophobicContact CE2-CG1 3.93Å; Y11-I178 VanDerWaalsContact OH-CG1 3.31Å; Y11-I178 WeakPolarHBondContact OH-CG1 3.35Å; Y11-E181 PolarHBondContact OH-OE2 3.47Å
12K97.6Very high84.1Confident24 Ų2458.7 Ų58.710%0.10430%0.299CS..EExtended strand (participates in β ladder)trans-80.4118.9168.5175.6172.5176-176.20109.9W64 Y79 R81 A83 M84K12-W64 HydrophobicContact CD-CZ2 4.4Å; K12-W64 HydrophobicContact CG-CG 4.36Å; K12-Y79 WeakPolarHBondContact CE-O 3.47Å; K12-Y79 PolarHBondContact NZ-O 3.04Å; K12-R81 PolarHBondContact NZ-O 2.69Å; K12-A83 HydrophobicContact CD-CB 4.4Å; K12-A83 HydrophobicContact CG-CB 4.08Å; K12-A83 WeakPolarHBondContact O-CA 3.25Å; K12-M84 PolarHBondContact O-N 2.81Å
13I98.4Very high86.8Confident1 Ų150.4 Ų50.41%0.00526%0.26CS..EExtended strand (participates in β ladder)trans-116.9122.3-178.3-50.4-57.5000109.4L61 Q62 L63 W64 G85 F87 L173 I177I13-L61 HydrophobicContact CG1-CB 4.39Å; I13-L61 HydrophobicContact CG1-CD2 4.2Å; I13-Q62 PolarHBondContact N-O 3.47Å; I13-L63 HydrophobicContact CB-CD2 4.1Å; I13-L63 HydrophobicContact CG2-CD2 4.31Å; I13-W64 PolarHBondContact O-N 3.4Å; I13-G85 WeakPolarHBondContact CA-O 3.32Å; I13-F87 HydrophobicContact CG2-CD2 3.86Å; I13-F87 HydrophobicContact CG2-CE2 3.93Å; I13-L173 HydrophobicContact CD1-CD2 4.07Å; I13-L173 HydrophobicContact CG2-CD2 3.62Å; I13-I177 HydrophobicContact CD1-CD1 3.32Å
14L98.3Very high89.6Confident0 Ų044.5 Ų44.50%023%0.23CC..EExtended strand (participates in β ladder)trans-81.5140.3174.2-58.2171.8000110.1I16 W64 Y79 Y80 A83 G85 A86 F87 L108 L112L14-I16 HydrophobicContact CB-CG2 4.27Å; L14-W64 HydrophobicContact CD2-CB 4.15Å; L14-Y79 WeakPolarHBondContact CD2-O 3.39Å; L14-Y80 HydrophobicContact CD1-CD1 3.56Å; L14-Y80 HydrophobicContact CD1-CE1 4.16Å; L14-Y80 HydrophobicContact CD1-CG 3.78Å; L14-Y80 HydrophobicContact CD2-CD1 4.14Å; L14-Y80 HydrophobicContact CG-CD1 4.45Å; L14-A83 HydrophobicContact CD1-CB 3.66Å; L14-A83 HydrophobicContact CD2-CB 4.05Å; L14-A83 HydrophobicContact CG-CB 3.52Å; L14-G85 PolarHBondContact N-O 3.49Å; L14-A86 HydrophobicContact CB-CB 4.06Å; L14-A86 CarbonylContact O-C 3.52Å; L14-A86 VanDerWaalsContact O-CA 3.31Å; L14-A86 WeakPolarHBondContact O-CA 3.33Å; L14-F87 PolarHBondContact O-N 3.49Å; L14-L108 HydrophobicContact CD1-CD1 3.62Å; L14-L112 HydrophobicContact CD1-CD2 4.5Å
15V98.3Very high92Very high2 Ų239.6 Ų39.61%0.01221%0.206CC..EExtended strand (participates in β ladder)trans-120103.2168.8-167.30000107.8K23 I27 W64 I66 F87 V89V15-K23 HydrophobicContact CG1-CB 3.77Å; V15-K23 HydrophobicContact CG1-CD 4.31Å; V15-K23 HydrophobicContact CG1-CG 4.12Å; V15-I27 HydrophobicContact CB-CD1 3.95Å; V15-I27 HydrophobicContact CG1-CD1 4.23Å; V15-I27 HydrophobicContact CG2-CD1 3.74Å; V15-I27 HydrophobicContact CG2-CG1 4.05Å; V15-W64 PolarHBondContact N-O 2.9Å; V15-I66 PolarHBondContact O-N 3.14Å; V15-F87 HydrophobicContact CG1-CB 4.35Å; V15-F87 HydrophobicContact CG2-CD2 4.2Å; V15-V89 HydrophobicContact CG1-CG2 3.94Å
16I97.7Very high94Very high0 Ų031.6 Ų31.60%017%0.169CC..EExtended strand (participates in β ladder)trans-123.3165.4-17261.6176.5000111.5L14 K23 I66 Y80 F87 I88 V89 W104 L108L14-I16 HydrophobicContact CB-CG2 4.27Å; I16-K23 WeakPolarHBondContact O-CD 3.42Å; I16-I66 HydrophobicContact CG2-CB 4.04Å; I16-I66 HydrophobicContact CG2-CG1 3.89Å; I16-Y80 HydrophobicContact CG2-CE1 4.03Å; I16-F87 WeakPolarHBondContact CG1-O 3.28Å; I16-F87 PolarHBondContact N-O 3.32Å; I16-I88 HydrophobicContact CD1-CD1 4.06Å; I16-I88 HydrophobicContact CD1-CG1 3.92Å; I16-I88 HydrophobicContact CG1-CB 4.45Å; I16-I88 HydrophobicContact CG1-CD1 4.44Å; I16-I88 HydrophobicContact CG1-CG1 3.81Å; I16-I88 WeakPolarHBondContact O-CA 3.49Å; I16-V89 PolarHBondContact O-N 3.36Å; I16-W104 HydrophobicContact CB-CD2 4.46Å; I16-W104 HydrophobicContact CB-CE3 3.85Å; I16-W104 HydrophobicContact CB-CZ3 3.98Å; I16-W104 HydrophobicContact CD1-CB 4.41Å; I16-W104 HydrophobicContact CD1-CE3 4.08Å; I16-W104 HydrophobicContact CG1-CE3 4.31Å; I16-W104 HydrophobicContact CG2-CZ3 4.3Å; I16-L108 HydrophobicContact CD1-CB 4.31Å; I16-L108 HydrophobicContact CD1-CD2 4.36Å
17G97.1Very high95.5Very high0 Ų027.5 Ų27.50%015%0.148CC..  trans134.9172.1-172.600000112K23 G68 W104G17-K23 WeakPolarHBondContact O-CE 3.41Å; G17-K23 PolarHBondContact O-NZ 2.94Å; G17-G68 VanDerWaalsContact O-CA 3.24Å; G17-G68 WeakPolarHBondContact O-CA 3.4Å; G17-W104 VanDerWaalsContact O-CZ2 3.3Å; G17-W104 WeakPolarHBondContact O-CZ2 3.4Å
18D95.5Very high96.4Very high44 Ų4428.2 Ų28.224%0.23515%0.151CC..SBendtrans-64.1169.6-171.7-85.111.4000114.7G20 V21 K23 A100 W104D18-G20 PolarHBondContact O-N 3.32Å; D18-V21 HydrophobicContact CB-CG1 3.74Å; D18-V21 WeakPolarHBondContact O-CG2 3.38Å; D18-K23 PolarHBondContact O-NZ 3.04Å; D18-A100 WeakPolarHBondContact OD1-CB 3.49Å; D18-A100 WeakPolarHBondContact OD2-CB 3.4Å; D18-W104 PolarHBondContact OD1-NE1 2.8Å
19L93.9Very high96.9Very high66 Ų6624.8 Ų24.835%0.34613%0.133SC..THydrogen-bonded Turntrans-61.5136.9173.4-166.469.6000110.8V21 Y39 A41 Q69 R94L19-V21 PolarHBondContact O-N 2.91Å; L19-Y39 WeakPolarHBondContact CD1-OH 3.42Å; L19-Y39 WeakPolarHBondContact CG-OH 3.44Å; L19-A41 HydrophobicContact CD1-CB 4.43Å; L19-Q69 HydrophobicContact CD1-CG 4.17Å; L19-R94 PolarHBondContact O-NH1 3.18Å; L19-R94 PolarHBondContact O-NH2 3Å
20G94.1Very high97.2Very high23 Ų2324.6 Ų24.624%0.23713%0.132CC..THydrogen-bonded Turntrans72.85.5173.500000115.8D18 G22 R94 K128D18-G20 PolarHBondContact O-N 3.32Å; G20-G22 PolarHBondContact O-N 2.76Å; G20-R94 PolarHBondContact O-NH2 2.82Å; G20-K128 WeakPolarHBondContact O-CE 3.25Å; G20-K128 PolarHBondContact O-NZ 3.02Å
21V96.4Very high97.2Very high0 Ų021.3 Ų21.30%012%0.116CC..SBendtrans-71.4-17.2177.9-57.70000113.4D18 L19 K23 V89 D91 N127D18-V21 HydrophobicContact CB-CG1 3.74Å; D18-V21 WeakPolarHBondContact O-CG2 3.38Å; L19-V21 PolarHBondContact O-N 2.91Å; V21-K23 HydrophobicContact CG2-CD 4.17Å; V21-K23 HydrophobicContact CG2-CG 3.58Å; V21-V89 HydrophobicContact CB-CG1 4.34Å; V21-V89 HydrophobicContact CG2-CB 3.89Å; V21-V89 HydrophobicContact CG2-CG1 3.92Å; V21-V89 WeakPolarHBondContact CG2-O 3.44Å; V21-D91 HydrophobicContact CB-CB 4.28Å; V21-D91 HydrophobicContact CG1-CB 4.18Å; V21-N127 PolarHBondContact O-ND2 2.94Å
22G96.9Very high97.1Very high12 Ų1227 Ų2712%0.12414%0.143CC..SBendtrans105.918.6172.700000116G20 T24 S25 I26G20-G22 PolarHBondContact O-N 2.76Å; G22-T24 PolarHBondContact O-N 2.98Å; G22-S25 WeakPolarHBondContact O-CB 3.41Å; G22-S25 PolarHBondContact O-N 2.78Å; G22-I26 WeakPolarHBondContact O-CG1 3.39Å; G22-I26 PolarHBondContact O-N 2.89Å
23K97.7Very high97Very high11 Ų1131.6 Ų31.65%0.04816%0.164CC..Hα-helixtrans-49-58176.9-55.2-168.3-58.1-77.70113.3V15 I16 G17 D18 V21 S25 I26 I27 D65 I66 V89V15-K23 HydrophobicContact CG1-CB 3.77Å; V15-K23 HydrophobicContact CG1-CD 4.31Å; V15-K23 HydrophobicContact CG1-CG 4.12Å; I16-K23 WeakPolarHBondContact O-CD 3.42Å; G17-K23 WeakPolarHBondContact O-CE 3.41Å; G17-K23 PolarHBondContact O-NZ 2.94Å; D18-K23 PolarHBondContact O-NZ 3.04Å; V21-K23 HydrophobicContact CG2-CD 4.17Å; V21-K23 HydrophobicContact CG2-CG 3.58Å; K23-S25 VanDerWaalsContact C-N 3.26Å; K23-S25 PolarHBondContact O-N 2.79Å; K23-I26 PolarHBondContact O-N 3.36Å; K23-I26 VanDerWaalsContact O-N 3.16Å; K23-I27 WeakPolarHBondContact O-CG1 3.32Å; K23-I27 PolarHBondContact O-N 2.68Å; K23-D65 WeakPolarHBondContact CB-OD1 3.32Å; K23-I66 WeakPolarHBondContact CE-O 3.33Å; K23-I66 PolarHBondContact NZ-O 3.19Å; K23-V89 HydrophobicContact CG-CB 3.99Å; K23-V89 HydrophobicContact CG-CG2 4Å
24T97.2Very high96.7Very high27 Ų2736.3 Ų36.317%0.16619%0.189CC..Hα-helixtrans-56.6-38.6175.9-38.70000112.6G22 I27 K28 T42 D65G22-T24 PolarHBondContact O-N 2.98Å; T24-I27 PolarHBondContact O-N 2.87Å; T24-K28 HydrophobicContact CG2-CD 4.21Å; T24-K28 WeakPolarHBondContact O-CB 3.37Å; T24-K28 VanDerWaalsContact O-CG 3.31Å; T24-K28 WeakPolarHBondContact O-CG 3.42Å; T24-K28 PolarHBondContact O-N 3.37Å; T24-T42 PolarHBondContact OG1-OG1 3Å; T24-D65 WeakPolarHBondContact CA-OD2 3.31Å; T24-D65 VanDerWaalsContact CB-OD2 3.26Å; T24-D65 WeakPolarHBondContact CB-OD2 3.44Å; T24-D65 WeakPolarHBondContact CG2-OD2 3.38Å; T24-D65 PolarHBondContact OG1-OD2 3.16Å
25S97.8Very high96.5Very high35 Ų3539.3 Ų39.325%0.24520%0.202CC..Hα-helixtrans-70.3-38.5179.9-56.80000112G22 K23 R29G22-S25 WeakPolarHBondContact O-CB 3.41Å; G22-S25 PolarHBondContact O-N 2.78Å; K23-S25 VanDerWaalsContact C-N 3.26Å; K23-S25 PolarHBondContact O-N 2.79Å; S25-R29 VanDerWaalsContact O-CB 3.23Å; S25-R29 WeakPolarHBondContact O-CB 3.38Å; S25-R29 PolarHBondContact O-N 3.19Å
26I98.5Very high96.1Very high9 Ų941.7 Ų41.75%0.04622%0.219CC..Hα-helixtrans-61.4-48.6173.2-69.6171.4000109.6G22 K23 K28 R29 Y30 V89 L125 N127 A160 I166G22-I26 WeakPolarHBondContact O-CG1 3.39Å; G22-I26 PolarHBondContact O-N 2.89Å; K23-I26 PolarHBondContact O-N 3.36Å; K23-I26 VanDerWaalsContact O-N 3.16Å; I26-K28 PolarHBondContact O-N 2.89Å; I26-R29 PolarHBondContact O-N 3.46Å; I26-Y30 WeakPolarHBondContact O-CB 3.45Å; I26-Y30 PolarHBondContact O-N 2.89Å; I26-V89 HydrophobicContact CD1-CG1 3.7Å; I26-V89 HydrophobicContact CD1-CG2 4.23Å; I26-L125 HydrophobicContact CD1-CD1 3.94Å; I26-L125 HydrophobicContact CG2-CD1 4.45Å; I26-N127 HydrophobicContact CD1-CB 4.03Å; I26-A160 HydrophobicContact CG1-CB 4.02Å; I26-I166 HydrophobicContact CG2-CD1 4.36Å; I26-I166 HydrophobicContact CG2-CG1 4.39Å; I26-I166 HydrophobicContact CG2-CG2 4.13Å
27I98.1Very high95.5Very high12 Ų1246.7 Ų46.76%0.06225%0.252CS..Hα-helixtrans-60.1-49.3179.1-66.8167.2000110.8V15 K23 T24 R29 Y30 V31 A48 L63 D65V15-I27 HydrophobicContact CB-CD1 3.95Å; V15-I27 HydrophobicContact CG1-CD1 4.23Å; V15-I27 HydrophobicContact CG2-CD1 3.74Å; V15-I27 HydrophobicContact CG2-CG1 4.05Å; K23-I27 WeakPolarHBondContact O-CG1 3.32Å; K23-I27 PolarHBondContact O-N 2.68Å; T24-I27 PolarHBondContact O-N 2.87Å; I27-R29 VanDerWaalsContact C-N 3.31Å; I27-R29 PolarHBondContact O-N 2.79Å; I27-Y30 PolarHBondContact O-N 3.05Å; I27-V31 HydrophobicContact CG2-CG2 4.33Å; I27-V31 WeakPolarHBondContact O-CB 3.37Å; I27-V31 WeakPolarHBondContact O-CG2 3.5Å; I27-V31 PolarHBondContact O-N 2.77Å; I27-A48 HydrophobicContact CG2-CB 3.45Å; I27-A48 VanDerWaalsContact CG2-CB 3.45Å; I27-L63 HydrophobicContact CD1-CB 4.42Å; I27-L63 HydrophobicContact CG1-CB 4.34Å; I27-L63 HydrophobicContact CG1-CD1 4.43Å; I27-L63 HydrophobicContact CG2-CB 4.32Å; I27-L63 HydrophobicContact CG2-CD1 4.03Å; I27-D65 HydrophobicContact CD1-CB 3.47Å; I27-D65 VanDerWaalsContact CD1-CB 3.47Å
28K97Very high95Very high102 Ų10252.6 Ų52.644%0.44328%0.284SS..Hα-helixtrans-61.1-39.9178-76.5177.4178175.80112.3T24 I26 H32 H33 N34T24-K28 HydrophobicContact CG2-CD 4.21Å; T24-K28 WeakPolarHBondContact O-CB 3.37Å; T24-K28 VanDerWaalsContact O-CG 3.31Å; T24-K28 WeakPolarHBondContact O-CG 3.42Å; T24-K28 PolarHBondContact O-N 3.37Å; I26-K28 PolarHBondContact O-N 2.89Å; K28-H32 WeakPolarHBondContact O-CA 3.31Å; K28-H32 WeakPolarHBondContact O-CB 3.45Å; K28-H32 PolarHBondContact O-N 2.92Å; K28-H33 PolarHBondContact O-N 2.87Å; K28-N34 CarbonylContact C-O 3.43Å
29R97.9Very high94.3Very high43 Ų4357 Ų5716%0.16230%0.298CS..Hα-helixtrans-63.6-47175.7173.75774.4-170.511.2110.8S25 I26 I27 H33 N34 A160 K161 N163 I166S25-R29 VanDerWaalsContact O-CB 3.23Å; S25-R29 WeakPolarHBondContact O-CB 3.38Å; S25-R29 PolarHBondContact O-N 3.19Å; I26-R29 PolarHBondContact O-N 3.46Å; I27-R29 VanDerWaalsContact C-N 3.31Å; I27-R29 PolarHBondContact O-N 2.79Å; R29-H33 PolarHBondContact NH1-O 3Å; R29-H33 WeakPolarHBondContact O-CA 3.49Å; R29-H33 PolarHBondContact O-N 2.86Å; R29-N34 WeakPolarHBondContact CA-O 3.34Å; R29-N34 PolarHBondContact N-O 2.8Å; R29-A160 HydrophobicContact CB-CB 4.49Å; R29-A160 PolarHBondContact NE-O 3.36Å; R29-K161 PolarHBondContact NH2-O 2.81Å; R29-N163 VanDerWaalsContact CD-OD1 3.26Å; R29-N163 WeakPolarHBondContact CD-OD1 3.43Å; R29-N163 HydrophobicContact CG-CB 4.28Å; R29-N163 WeakPolarHBondContact CG-OD1 3.41Å; R29-I166 HydrophobicContact CB-CD1 4.04Å; R29-I166 HydrophobicContact CG-CD1 3.59Å
30Y98.1Very high93.9Very high6 Ų663.9 Ų63.92%0.02432%0.319CS..Hα-helixtrans-67.9-39.9-176.2-171.8-139000113.3I26 I27 K50 L52 L61 L63 I166 D167 A170I26-Y30 WeakPolarHBondContact O-CB 3.45Å; I26-Y30 PolarHBondContact O-N 2.89Å; I27-Y30 PolarHBondContact O-N 3.05Å; Y30-K50 HydrophobicContact CD1-CB 4.28Å; Y30-K50 HydrophobicContact CD1-CD 4.28Å; Y30-K50 HydrophobicContact CD1-CG 4.09Å; Y30-K50 HydrophobicContact CE1-CB 3.95Å; Y30-K50 HydrophobicContact CE1-CD 4.12Å; Y30-K50 HydrophobicContact CE1-CG 3.55Å; Y30-K50 HydrophobicContact CE2-CD 4.37Å; Y30-K50 HydrophobicContact CE2-CG 4.44Å; Y30-K50 HydrophobicContact CG-CD 4.49Å; Y30-K50 PolarHBondContact O-NZ 3.05Å; Y30-L52 WeakPolarHBondContact OH-CD1 3.19Å; Y30-L52 WeakPolarHBondContact OH-CD2 3.32Å; Y30-L61 HydrophobicContact CE1-CD1 4.21Å; Y30-L63 HydrophobicContact CD1-CD1 3.9Å; Y30-L63 HydrophobicContact CE1-CD1 4.47Å; Y30-I166 HydrophobicContact CD2-CG2 3.76Å; Y30-I166 HydrophobicContact CG-CG2 3.86Å; Y30-D167 VanDerWaalsContact CE2-OD1 3.23Å; Y30-D167 WeakPolarHBondContact CE2-OD1 3.39Å; Y30-A170 HydrophobicContact CE1-CB 3.95Å; Y30-A170 HydrophobicContact CE2-CB 4.14Å; Y30-A170 WeakPolarHBondContact OH-CB 3.25Å
31V97.4Very high93.5Very high28 Ų2865 Ų6517%0.1733%0.327CS..Hα-helixtrans-88.7-44-175.1-179.30000112.1I27 A48 L49 K50 L63I27-V31 HydrophobicContact CG2-CG2 4.33Å; I27-V31 WeakPolarHBondContact O-CB 3.37Å; I27-V31 WeakPolarHBondContact O-CG2 3.5Å; I27-V31 PolarHBondContact O-N 2.77Å; V31-A48 HydrophobicContact CG2-CB 4.02Å; V31-L49 WeakPolarHBondContact CG1-O 3.47Å; V31-K50 HydrophobicContact CG2-CB 4.2Å; V31-L63 HydrophobicContact CG2-CD1 3.63Å
32H95.5Very high92.9Very high123 Ų12366.3 Ų66.357%0.56933%0.334SS*.Hα-helixtrans-110.91.3-170.3-56.3-59.5000113.9K28 N34K28-H32 WeakPolarHBondContact O-CA 3.31Å; K28-H32 WeakPolarHBondContact O-CB 3.45Å; K28-H32 PolarHBondContact O-N 2.92Å; H32-N34 HydrophobicContact CB-CB 4.23Å; H32-N34 PolarHBondContact O-N 2.8Å
33H94.6Very high92.3Very high120 Ų12073.3 Ų73.356%0.55637%0.367SS*.SBendtrans51.631.5-174.4-57.9-69.8000112.9K28 R29K28-H33 PolarHBondContact O-N 2.87Å; R29-H33 PolarHBondContact NH1-O 3Å; R29-H33 WeakPolarHBondContact O-CA 3.49Å; R29-H33 PolarHBondContact O-N 2.86Å
34N93Very high91.7Very high100 Ų10073.5 Ų73.554%0.53537%0.372SS..  trans-123.8147.7-175.4-170.911.7000111.1K28 R29 H32K28-N34 CarbonylContact C-O 3.43Å; R29-N34 WeakPolarHBondContact CA-O 3.34Å; R29-N34 PolarHBondContact N-O 2.8Å; H32-N34 HydrophobicContact CB-CB 4.23Å; H32-N34 PolarHBondContact O-N 2.8Å
35F94.4Very high91.4Very high62 Ų6274.2 Ų74.227%0.27238%0.377SS..  trans-136137173.3173.8-94.6000110P37 A160 K161F35-P37 HydrophobicContact CE1-CB 4.21Å; F35-A160 HydrophobicContact CD2-CB 4.19Å; F35-A160 HydrophobicContact CE2-CB 4.35Å; F35-K161 HydrophobicContact CD1-CB 4.43Å; F35-K161 HydrophobicContact CD1-CG 4.15Å; F35-K161 HydrophobicContact CD2-CB 4.31Å; F35-K161 HydrophobicContact CE1-CB 4.11Å; F35-K161 HydrophobicContact CE1-CG 3.81Å; F35-K161 HydrophobicContact CE2-CB 3.97Å; F35-K161 HydrophobicContact CZ-CB 3.87Å; F35-K161 HydrophobicContact CZ-CG 4.04Å
36S90.4Very high91.2Very high53 Ų5376.9 Ų76.937%0.37139%0.388SS..  trans-121.9128.6172.5164.40000109.1N38S36-N38 PolarHBondContact O-N 2.62Å; S36-N38 PolarHBondContact OG-N 3.19Å
37P84.6Confident90.9Very high105 Ų10581.1 Ų81.168%0.68241%0.406SS*.SBendtrans-71.3-20173.830.6-34.6000112.1F35 Y39F35-P37 HydrophobicContact CE1-CB 4.21Å; P37-Y39 PolarHBondContact O-N 2.83Å; P37-Y39 VanDerWaalsContact O-N 3.13Å
38N85.9Confident90.8Very high124 Ų12481.2 Ų81.266%0.66341%0.409SS*.SBendtrans-70111179.9-64.2-27.9000110.2S36S36-N38 PolarHBondContact O-N 2.62Å; S36-N38 PolarHBondContact OG-N 3.19Å
39Y82Confident90.8Very high136 Ų13680 Ų8053%0.53341%0.406SS..  trans-71.7129175.2177.8-109.4000110.8L19 P37 A41L19-Y39 WeakPolarHBondContact CD1-OH 3.42Å; L19-Y39 WeakPolarHBondContact CG-OH 3.44Å; P37-Y39 PolarHBondContact O-N 2.83Å; P37-Y39 VanDerWaalsContact O-N 3.13Å; Y39-A41 HydrophobicContact CE1-CB 4.23Å; Y39-A41 WeakPolarHBondContact OH-CA 3.41Å; Y39-A41 WeakPolarHBondContact OH-CB 3.47Å
40R84.5Confident90.8Very high210 Ų21079.2 Ų79.279%0.79241%0.405SS*.  trans-130.6125.9166.4-66.6-174-179.8-178.50.1107.3T42R40-T42 PolarHBondContact O-N 3.15Å
41A85.4Confident90.7Very high48 Ų4882.6 Ų82.640%0.39743%0.426SS..  trans-66.8132.4176.900000110.1L19 Y39L19-A41 HydrophobicContact CD1-CB 4.43Å; Y39-A41 HydrophobicContact CE1-CB 4.23Å; Y39-A41 WeakPolarHBondContact OH-CA 3.41Å; Y39-A41 WeakPolarHBondContact OH-CB 3.47Å
42T84.3Confident90.6Very high26 Ų2682.3 Ų82.316%0.1642%0.423CS..  trans-65.9133.9168.2-48.90000108.7T24 R40 D46 D65 A67T24-T42 PolarHBondContact OG1-OG1 3Å; R40-T42 PolarHBondContact O-N 3.15Å; T42-D46 HydrophobicContact CG2-CB 4.22Å; T42-D65 PolarHBondContact OG1-OD2 2.85Å; T42-D65 VanDerWaalsContact OG1-OD2 3.06Å; T42-A67 HydrophobicContact CG2-CB 4.28Å; T42-A67 WeakPolarHBondContact O-CB 3.31Å
43I84.1Confident90.5Very high160 Ų16082.1 Ų82.182%0.82143%0.431SS*.  trans-102.9115.7174.8-60.1174.9000106.7V45I43-V45 PolarHBondContact O-N 3.34Å; I43-V45 VanDerWaalsContact O-N 3.15Å
44G85.3Confident90.3Very high15 Ų1579 Ų7916%0.15541%0.414CS..SBendtrans66.4-108.6-176.300000112.5A67G44-A67 WeakPolarHBondContact O-CB 3.18Å; G44-A67 PolarHBondContact O-N 2.93Å
45V90.9Very high89.9Confident42 Ų4280.8 Ų80.826%0.25542%0.423SS..EExtended strand (participates in β ladder)trans-136.6137.9-174.3174.40000110.8I43 W64 D65 I66 Y79I43-V45 PolarHBondContact O-N 3.34Å; I43-V45 VanDerWaalsContact O-N 3.15Å; V45-W64 HydrophobicContact CG1-CE3 3.65Å; V45-W64 HydrophobicContact CG1-CZ3 4.12Å; V45-D65 WeakPolarHBondContact CA-O 3.39Å; V45-I66 HydrophobicContact CB-CD1 4.28Å; V45-I66 HydrophobicContact CG1-CD1 3.84Å; V45-I66 HydrophobicContact CG2-CD1 3.49Å; V45-I66 VanDerWaalsContact CG2-CD1 3.49Å; V45-Y79 HydrophobicContact CB-CE1 4.31Å; V45-Y79 HydrophobicContact CG2-CD1 3.62Å; V45-Y79 HydrophobicContact CG2-CD2 3.71Å; V45-Y79 HydrophobicContact CG2-CE1 3.52Å; V45-Y79 HydrophobicContact CG2-CE2 3.61Å; V45-Y79 HydrophobicContact CG2-CG 3.73Å
46D93Very high89.5Confident90 Ų9085.2 Ų85.248%0.48145%0.445SS..EExtended strand (participates in β ladder)trans-119.1158.7170.3-162.28.1000110.7T42 D65T42-D46 HydrophobicContact CG2-CB 4.22Å; D46-D65 HydrophobicContact CB-CB 4.15Å; D46-D65 PolarHBondContact N-O 3.19Å; D46-D65 PolarHBondContact O-N 3Å
47F91.8Very high89.5Confident99 Ų9985.5 Ų85.543%0.43444%0.441SS..EExtended strand (participates in β ladder)trans-128.6135.5-173.9170.6-91.5000111.3L49 Q62 L63F47-L49 HydrophobicContact CE1-CB 4.17Å; F47-L49 HydrophobicContact CZ-CB 4.17Å; F47-L49 HydrophobicContact CZ-CD1 4.27Å; F47-Q62 HydrophobicContact CE2-CB 3.6Å; F47-Q62 HydrophobicContact CE2-CG 3.59Å; F47-Q62 HydrophobicContact CZ-CB 4.33Å; F47-Q62 HydrophobicContact CZ-CG 3.91Å; F47-L63 WeakPolarHBondContact CA-O 3.47Å
48A96.9Very high89.9Confident13 Ų1382.2 Ų82.211%0.10742%0.418CS..EExtended strand (participates in β ladder)trans-135.8148.4168.400000111.4I27 V31 L63I27-A48 HydrophobicContact CG2-CB 3.45Å; I27-A48 VanDerWaalsContact CG2-CB 3.45Å; V31-A48 HydrophobicContact CG2-CB 4.02Å; A48-L63 HydrophobicContact CB-CB 4.45Å; A48-L63 PolarHBondContact N-O 3.45Å; A48-L63 PolarHBondContact O-N 3.37Å
49L97.7Very high90.4Very high76 Ų7676.3 Ų76.340%0.39839%0.387SS..EExtended strand (participates in β ladder)trans-109.6126.3176.9-172.275.9000110.2V31 F47 V51 R60 L61 Q62V31-L49 WeakPolarHBondContact CG1-O 3.47Å; F47-L49 HydrophobicContact CE1-CB 4.17Å; F47-L49 HydrophobicContact CZ-CB 4.17Å; F47-L49 HydrophobicContact CZ-CD1 4.27Å; L49-V51 HydrophobicContact CD2-CG2 4.45Å; L49-R60 HydrophobicContact CD1-CB 4.29Å; L49-L61 WeakPolarHBondContact CA-O 3.5Å; L49-Q62 HydrophobicContact CD1-CG 4Å
50K97.5Very high91.2Very high28 Ų2873.8 Ų73.812%0.12238%0.376CS..EExtended strand (participates in β ladder)trans-111.2134.3167.2-178.474.6173.5-171.70109.3Y30 V31 L52 R60 L61 L63Y30-K50 HydrophobicContact CD1-CB 4.28Å; Y30-K50 HydrophobicContact CD1-CD 4.28Å; Y30-K50 HydrophobicContact CD1-CG 4.09Å; Y30-K50 HydrophobicContact CE1-CB 3.95Å; Y30-K50 HydrophobicContact CE1-CD 4.12Å; Y30-K50 HydrophobicContact CE1-CG 3.55Å; Y30-K50 HydrophobicContact CE2-CD 4.37Å; Y30-K50 HydrophobicContact CE2-CG 4.44Å; Y30-K50 HydrophobicContact CG-CD 4.49Å; Y30-K50 PolarHBondContact O-NZ 3.05Å; V31-K50 HydrophobicContact CG2-CB 4.2Å; K50-L52 HydrophobicContact CD-CD2 4.35Å; K50-L52 HydrophobicContact CG-CD2 3.78Å; K50-L52 HydrophobicContact CG-CG 4.16Å; K50-R60 CarbonylContact O-C 3.58Å; K50-R60 WeakPolarHBondContact O-CA 3.34Å; K50-L61 HydrophobicContact CB-CB 4.28Å; K50-L61 PolarHBondContact N-O 3.47Å; K50-L61 PolarHBondContact O-N 2.88Å; K50-L63 HydrophobicContact CB-CD1 4.38Å
51V96.8Very high91.8Very high77 Ų7763.9 Ų63.947%0.46734%0.339SS..EExtended strand (participates in β ladder)trans-107132.1171.1-1740000108.7L49 T58 R60L49-V51 HydrophobicContact CD2-CG2 4.45Å; V51-T58 HydrophobicContact CG1-CG2 3.68Å; V51-R60 HydrophobicContact CG2-CG 4.26Å
52L94.3Very high92.4Very high21 Ų2164.1 Ų64.111%0.1133%0.332CS..EExtended strand (participates in β ladder)trans-124.1147.6178.2-55.2175.1000109.6Y30 K50 V59 L61 V174Y30-L52 WeakPolarHBondContact OH-CD1 3.19Å; Y30-L52 WeakPolarHBondContact OH-CD2 3.32Å; K50-L52 HydrophobicContact CD-CD2 4.35Å; K50-L52 HydrophobicContact CG-CD2 3.78Å; K50-L52 HydrophobicContact CG-CG 4.16Å; L52-V59 HydrophobicContact CB-CB 4.37Å; L52-V59 PolarHBondContact N-O 3.32Å; L52-V59 PolarHBondContact O-N 3.4Å; L52-L61 HydrophobicContact CD1-CD1 3.65Å; L52-L61 HydrophobicContact CD1-CG 4.14Å; L52-L61 HydrophobicContact CG-CD1 4.48Å; L52-V174 HydrophobicContact CD1-CG2 4.24Å
53T92.6Very high93.1Very high120 Ų12063 Ų6374%0.73633%0.326SS*.EExtended strand (participates in β ladder)trans-97.3121.1166-540000108.1E57T53-E57 WeakPolarHBondContact CA-O 3.45Å
54W91.5Very high93.7Very high53 Ų5358.4 Ų58.420%0.20130%0.298CS..EExtended strand (participates in β ladder)trans-125.7108.9-177-170.8-80.4000109.7Q56 E57 V59 N171 V174 K175 I178W54-Q56 PolarHBondContact O-N 2.99Å; W54-E57 PolarHBondContact N-O 3.24Å; W54-E57 WeakPolarHBondContact O-CA 3.39Å; W54-E57 WeakPolarHBondContact O-CB 3.5Å; W54-E57 PolarHBondContact O-N 2.77Å; W54-V59 HydrophobicContact CB-CG2 3.69Å; W54-V59 HydrophobicContact CG-CG2 4.34Å; W54-N171 HydrophobicContact CH2-CB 4.49Å; W54-N171 WeakPolarHBondContact CH2-O 3.35Å; W54-N171 HydrophobicContact CZ3-CB 4.07Å; W54-V174 HydrophobicContact CD2-CG1 4.07Å; W54-V174 HydrophobicContact CE3-CB 4.45Å; W54-V174 HydrophobicContact CE3-CG1 3.76Å; W54-V174 HydrophobicContact CH2-CG1 4.39Å; W54-V174 HydrophobicContact CZ3-CB 4.19Å; W54-V174 HydrophobicContact CZ3-CG1 3.94Å; W54-K175 HydrophobicContact CH2-CB 3.97Å; W54-K175 HydrophobicContact CZ2-CB 4.08Å; W54-I178 HydrophobicContact CD2-CD1 4.2Å; W54-I178 HydrophobicContact CG-CD1 4.08Å
55D84.2Confident94.3Very high138 Ų13857.9 Ų57.974%0.73829%0.291SS*.THydrogen-bonded Turntrans46.141.1178.2-60.8-29.4000114.6E57D55-E57 VanDerWaalsContact C-N 3.34Å
56Q85.4Confident94.3Very high156 Ų15655.9 Ų55.973%0.72928%0.279SS*.THydrogen-bonded Turntrans81.7-9.4-175.4-48.9175.1-4.600116.3L6 W54L6-Q56 WeakPolarHBondContact CD2-O 3.46Å; W54-Q56 PolarHBondContact O-N 2.99Å
57E90.9Very high94.1Very high59 Ų5951.8 Ų51.828%0.27626%0.258SS..EExtended strand (participates in β ladder)trans-87.6160.4172.7-61.3-175.5159.500111.6K7 H9 T53 W54 D55K7-E57 HydrophobicContact CB-CG 4.19Å; K7-E57 WeakPolarHBondContact CB-OE1 3.47Å; K7-E57 WeakPolarHBondContact O-CB 3.26Å; H9-E57 IonicContact CD2-OE2 2.87Å; H9-E57 PolarHBondContact CD2-OE2 3.11Å; H9-E57 IonicContact CE1-OE2 2.7Å; H9-E57 IonicContact NE2-OE2 2.71Å; H9-E57 PolarHBondContact NE2-OE2 2.77Å; T53-E57 WeakPolarHBondContact CA-O 3.45Å; W54-E57 PolarHBondContact N-O 3.24Å; W54-E57 WeakPolarHBondContact O-CA 3.39Å; W54-E57 WeakPolarHBondContact O-CB 3.5Å; W54-E57 PolarHBondContact O-N 2.77Å; D55-E57 VanDerWaalsContact C-N 3.34Å
58T93.7Very high93.2Very high35 Ų3547.6 Ų47.622%0.21524%0.243CC..EExtended strand (participates in β ladder)trans-104.1118.9175.5-61.70000109.6K7 E8 H9 V51 R60K7-T58 PolarHBondContact O-N 3.18Å; E8-T58 WeakPolarHBondContact CA-O 3.19Å; H9-T58 PolarHBondContact N-O 3.07Å; V51-T58 HydrophobicContact CG1-CG2 3.68Å; T58-R60 HydrophobicContact CG2-CG 4.36Å
59V96.6Very high92.4Very high0 Ų053.2 Ų53.20%027%0.267CS..EExtended strand (participates in β ladder)trans-106.8121.2175.6178.80000109.1H9 Y11 L52 W54 L61 V174 I178H9-V59 HydrophobicContact CB-CG1 4.48Å; H9-V59 HydrophobicContact CB-CG2 4.18Å; Y11-V59 HydrophobicContact CD2-CG1 3.69Å; Y11-V59 HydrophobicContact CE2-CG1 3.85Å; L52-V59 HydrophobicContact CB-CB 4.37Å; L52-V59 PolarHBondContact N-O 3.32Å; L52-V59 PolarHBondContact O-N 3.4Å; W54-V59 HydrophobicContact CB-CG2 3.69Å; W54-V59 HydrophobicContact CG-CG2 4.34Å; V59-L61 HydrophobicContact CG1-CD2 3.69Å; V59-L61 HydrophobicContact CG1-CG 4.36Å; V59-V174 HydrophobicContact CG1-CG1 4.24Å; V59-I178 HydrophobicContact CG2-CD1 4.43Å
60R97.5Very high91.4Very high83 Ų8352 Ų5231%0.31326%0.259SS..EExtended strand (participates in β ladder)trans-103.6116.3175.2-64.1-166.6-178.9106.87.8109.4E8 H9 L10 Y11 L49 K50 V51 T58E8-R60 VanDerWaalsContact CD-NH1 3.29Å; E8-R60 IonicContact OE1-CZ 3.53Å; E8-R60 IonicContact OE1-NH1 3.49Å; E8-R60 PolarHBondContact OE1-NH1 3.14Å; E8-R60 IonicContact OE1-NH2 2.81Å; E8-R60 PolarHBondContact OE1-NH2 3.35Å; E8-R60 IonicContact OE2-CZ 3.51Å; E8-R60 IonicContact OE2-NH1 2.69Å; E8-R60 PolarHBondContact OE2-NH1 3.2Å; E8-R60 IonicContact OE2-NH2 3.47Å; E8-R60 PolarHBondContact OE2-NH2 3.48Å; H9-R60 PolarHBondContact O-N 3.34Å; L10-R60 WeakPolarHBondContact CA-O 3.38Å; L10-R60 HydrophobicContact CD1-CB 3.62Å; Y11-R60 PolarHBondContact N-O 3.13Å; L49-R60 HydrophobicContact CD1-CB 4.29Å; K50-R60 CarbonylContact O-C 3.58Å; K50-R60 WeakPolarHBondContact O-CA 3.34Å; V51-R60 HydrophobicContact CG2-CG 4.26Å; T58-R60 HydrophobicContact CG2-CG 4.36Å
61L98.3Very high90Very high3 Ų352.6 Ų52.62%0.01626%0.26CS..EExtended strand (participates in β ladder)trans-97.8119.2176-53.6-176.7000110Y11 I13 Y30 L49 K50 L52 V59 L63 V174Y11-L61 HydrophobicContact CD2-CD2 4.09Å; Y11-L61 WeakPolarHBondContact O-CA 3.23Å; I13-L61 HydrophobicContact CG1-CB 4.39Å; I13-L61 HydrophobicContact CG1-CD2 4.2Å; Y30-L61 HydrophobicContact CE1-CD1 4.21Å; L49-L61 WeakPolarHBondContact CA-O 3.5Å; K50-L61 HydrophobicContact CB-CB 4.28Å; K50-L61 PolarHBondContact N-O 3.47Å; K50-L61 PolarHBondContact O-N 2.88Å; L52-L61 HydrophobicContact CD1-CD1 3.65Å; L52-L61 HydrophobicContact CD1-CG 4.14Å; L52-L61 HydrophobicContact CG-CD1 4.48Å; V59-L61 HydrophobicContact CG1-CD2 3.69Å; V59-L61 HydrophobicContact CG1-CG 4.36Å; L61-L63 HydrophobicContact CB-CD2 4.34Å; L61-V174 HydrophobicContact CD1-CG2 3.94Å; L61-V174 HydrophobicContact CD2-CG2 3.8Å; L61-V174 HydrophobicContact CG-CG2 4.43Å
62Q98.2Very high88.6Confident53 Ų5357 Ų5725%0.24827%0.274CS..EExtended strand (participates in β ladder)trans-89.4102168.8-72.6-171.1-26.400108.4L10 Y11 I13 F47 L49L10-Q62 HydrophobicContact CD1-CG 3.73Å; L10-Q62 HydrophobicContact CG-CG 4.42Å; Y11-Q62 PolarHBondContact O-N 2.73Å; I13-Q62 PolarHBondContact N-O 3.47Å; F47-Q62 HydrophobicContact CE2-CB 3.6Å; F47-Q62 HydrophobicContact CE2-CG 3.59Å; F47-Q62 HydrophobicContact CZ-CB 4.33Å; F47-Q62 HydrophobicContact CZ-CG 3.91Å; L49-Q62 HydrophobicContact CD1-CG 4Å
63L98.4Very high87.6Confident3 Ų357.1 Ų57.12%0.01628%0.28CS..EExtended strand (participates in β ladder)trans-89.1114.5-178.8-56.4169.4000109.1I13 I27 Y30 V31 F47 A48 K50 L61I13-L63 HydrophobicContact CB-CD2 4.1Å; I13-L63 HydrophobicContact CG2-CD2 4.31Å; I27-L63 HydrophobicContact CD1-CB 4.42Å; I27-L63 HydrophobicContact CG1-CB 4.34Å; I27-L63 HydrophobicContact CG1-CD1 4.43Å; I27-L63 HydrophobicContact CG2-CB 4.32Å; I27-L63 HydrophobicContact CG2-CD1 4.03Å; Y30-L63 HydrophobicContact CD1-CD1 3.9Å; Y30-L63 HydrophobicContact CE1-CD1 4.47Å; V31-L63 HydrophobicContact CG2-CD1 3.63Å; F47-L63 WeakPolarHBondContact CA-O 3.47Å; A48-L63 HydrophobicContact CB-CB 4.45Å; A48-L63 PolarHBondContact N-O 3.45Å; A48-L63 PolarHBondContact O-N 3.37Å; K50-L63 HydrophobicContact CB-CD1 4.38Å; L61-L63 HydrophobicContact CB-CD2 4.34Å
64W97.3Very high86.8Confident63 Ų6359.3 Ų59.324%0.23929%0.287CS..EExtended strand (participates in β ladder)trans-99.9101179.1-7464.2000109.6K12 I13 L14 V15 V45 I66K12-W64 HydrophobicContact CD-CZ2 4.4Å; K12-W64 HydrophobicContact CG-CG 4.36Å; I13-W64 PolarHBondContact O-N 3.4Å; L14-W64 HydrophobicContact CD2-CB 4.15Å; V15-W64 PolarHBondContact N-O 2.9Å; V45-W64 HydrophobicContact CG1-CE3 3.65Å; V45-W64 HydrophobicContact CG1-CZ3 4.12Å; W64-I66 HydrophobicContact CB-CD1 4.15Å; W64-I66 PolarHBondContact O-N 3.38Å
65D96Very high86.4Confident4 Ų461 Ų612%0.02130%0.299CS..EExtended strand (participates in β ladder)trans-77.3102.8175.3-170.821.2000109.5K23 T24 I27 T42 V45 D46K23-D65 WeakPolarHBondContact CB-OD1 3.32Å; T24-D65 WeakPolarHBondContact CA-OD2 3.31Å; T24-D65 VanDerWaalsContact CB-OD2 3.26Å; T24-D65 WeakPolarHBondContact CB-OD2 3.44Å; T24-D65 WeakPolarHBondContact CG2-OD2 3.38Å; T24-D65 PolarHBondContact OG1-OD2 3.16Å; I27-D65 HydrophobicContact CD1-CB 3.47Å; I27-D65 VanDerWaalsContact CD1-CB 3.47Å; T42-D65 PolarHBondContact OG1-OD2 2.85Å; T42-D65 VanDerWaalsContact OG1-OD2 3.06Å; V45-D65 WeakPolarHBondContact CA-O 3.39Å; D46-D65 HydrophobicContact CB-CB 4.15Å; D46-D65 PolarHBondContact N-O 3.19Å; D46-D65 PolarHBondContact O-N 3Å
66I92.8Very high86.4Confident0 Ų054.5 Ų54.50%026%0.264CS..EExtended strand (participates in β ladder)trans-92.1126.4-180-49-56.5000108.8V15 I16 K23 V45 W64 G68 E70 Y79V15-I66 PolarHBondContact O-N 3.14Å; I16-I66 HydrophobicContact CG2-CB 4.04Å; I16-I66 HydrophobicContact CG2-CG1 3.89Å; K23-I66 WeakPolarHBondContact CE-O 3.33Å; K23-I66 PolarHBondContact NZ-O 3.19Å; V45-I66 HydrophobicContact CB-CD1 4.28Å; V45-I66 HydrophobicContact CG1-CD1 3.84Å; V45-I66 HydrophobicContact CG2-CD1 3.49Å; V45-I66 VanDerWaalsContact CG2-CD1 3.49Å; W64-I66 HydrophobicContact CB-CD1 4.15Å; W64-I66 PolarHBondContact O-N 3.38Å; I66-G68 PolarHBondContact O-N 3.14Å; I66-E70 HydrophobicContact CG2-CB 4Å; I66-Y79 HydrophobicContact CD1-CG 4.24Å; I66-Y79 HydrophobicContact CG2-CD2 4.49Å
67A87.2Confident86.5Confident4 Ų454.8 Ų54.83%0.03326%0.258CS..  trans-58.5137.2177.600000111T42 G44 Q69 E70T42-A67 HydrophobicContact CG2-CB 4.28Å; T42-A67 WeakPolarHBondContact O-CB 3.31Å; G44-A67 WeakPolarHBondContact O-CB 3.18Å; G44-A67 PolarHBondContact O-N 2.93Å; A67-Q69 PolarHBondContact O-N 2.86Å; A67-E70 HydrophobicContact CB-CG 3.81Å; A67-E70 WeakPolarHBondContact O-CB 3.26Å; A67-E70 PolarHBondContact O-N 2.85Å
68G73.8Confident86.4Confident11 Ų1156.2 Ų56.211%0.11327%0.271CS..THydrogen-bonded Turntrans-66.2-13.1-172.500000114.6G17 I66 W104G17-G68 VanDerWaalsContact O-CA 3.24Å; G17-G68 WeakPolarHBondContact O-CA 3.4Å; I66-G68 PolarHBondContact O-N 3.14Å; G68-W104 WeakPolarHBondContact O-CZ2 3.5Å
69Q79.6Confident86.3Confident130 Ų13056.5 Ų56.561%0.60727%0.268SS*.THydrogen-bonded Turntrans-86-17.8176.6-48.3-171.734.100112L19 A67 R71L19-Q69 HydrophobicContact CD1-CG 4.17Å; A67-Q69 PolarHBondContact O-N 2.86Å; Q69-R71 PolarHBondContact O-N 3.06Å; Q69-R71 VanDerWaalsContact O-N 3.16Å
70E76.9Confident86.2Confident52 Ų5256.6 Ų56.624%0.24327%0.268CS..G310 helixtrans-760.6-174.1-64.9-65.9149.500113.8I66 A67 F72 G73 T76I66-E70 HydrophobicContact CG2-CB 4Å; A67-E70 HydrophobicContact CB-CG 3.81Å; A67-E70 WeakPolarHBondContact O-CB 3.26Å; A67-E70 PolarHBondContact O-N 2.85Å; E70-F72 PolarHBondContact O-N 3.03Å; E70-G73 PolarHBondContact O-N 2.89Å; E70-T76 PolarHBondContact O-OG1 3.39Å
71R67.9Low86Confident39 Ų3960.5 Ų60.515%0.14728%0.283CS..G310 helixtrans-54.3-37.5178.3-167.6175166.6-131.4-14.6112.7Q69 K103 W104Q69-R71 PolarHBondContact O-N 3.06Å; Q69-R71 VanDerWaalsContact O-N 3.16Å; R71-K103 VanDerWaalsContact CZ-O 3.32Å; R71-K103 PolarHBondContact NE-O 3.46Å; R71-K103 VanDerWaalsContact NH2-CA 3.32Å; R71-K103 VanDerWaalsContact NH2-CG 3.33Å; R71-K103 PolarHBondContact NH2-O 3.29Å; R71-W104 HydrophobicContact CB-CE3 4.38Å; R71-W104 HydrophobicContact CB-CH2 3.44Å; R71-W104 VanDerWaalsContact CB-CH2 3.44Å; R71-W104 HydrophobicContact CB-CZ2 3.74Å; R71-W104 HydrophobicContact CB-CZ3 3.77Å; R71-W104 HydrophobicContact CG-CD2 4.22Å; R71-W104 HydrophobicContact CG-CE3 3.95Å; R71-W104 HydrophobicContact CG-CH2 3.94Å; R71-W104 HydrophobicContact CG-CZ2 4.15Å; R71-W104 HydrophobicContact CG-CZ3 3.81Å
72F67.6Low85.7Confident170 Ų17066.7 Ų66.775%0.74631%0.312SS*.G310 helixtrans-99.16.1-178.8-52-68.1000112.9E70E70-F72 PolarHBondContact O-N 3.03Å
73G72.3Confident85.7Confident24 Ų2464.2 Ų64.225%0.24730%0.301CS..SBendtrans-72148.1179.800000111.7E70 M75 T76E70-G73 PolarHBondContact O-N 2.89Å; G73-M75 PolarHBondContact O-N 2.9Å; G73-M75 VanDerWaalsContact O-N 3.14Å; G73-T76 PolarHBondContact O-N 3.26Å; G73-T76 PolarHBondContact O-OG1 2.88Å
74N77.4Confident85.6Confident165 Ų16566.2 Ų66.288%0.88231%0.31SS*.THydrogen-bonded Turntrans-64-19.1173.8-67.5-27.9000112.5
75M83.1Confident85.6Confident90 Ų9063.2 Ų63.244%0.44330%0.299SS..THydrogen-bonded Turntrans-86.2-8.7-175.2-63.8-57.6-68.700114.3G73 R77 V78 Y79G73-M75 PolarHBondContact O-N 2.9Å; G73-M75 VanDerWaalsContact O-N 3.14Å; M75-R77 VanDerWaalsContact C-N 3.27Å; M75-R77 PolarHBondContact O-N 2.85Å; M75-R77 VanDerWaalsContact O-N 3.16Å; M75-V78 HydrophobicContact CE-CB 4.14Å; M75-V78 HydrophobicContact CE-CG1 4.25Å; M75-V78 HydrophobicContact CE-CG2 4Å; M75-V78 WeakPolarHBondContact O-CA 3.46Å; M75-V78 VanDerWaalsContact O-CB 3.32Å; M75-V78 WeakPolarHBondContact O-CB 3.33Å; M75-V78 PolarHBondContact O-N 3.21Å; M75-V78 HydrophobicContact SD-CG2 4.47Å; M75-Y79 HydrophobicContact CB-CD2 4.21Å; M75-Y79 HydrophobicContact CB-CE1 4.34Å; M75-Y79 HydrophobicContact CB-CE2 3.52Å; M75-Y79 WeakPolarHBondContact O-CD2 3.4Å; M75-Y79 PolarHBondContact O-N 3.48Å; M75-Y79 VanDerWaalsContact O-N 3.11Å
76T84.1Confident85.8Confident1 Ų163 Ų631%0.00630%0.298CS..Hα-helixtrans-57-38.5-173.7-40.80000113E70 G73 V78 Y79 Y80 K111E70-T76 PolarHBondContact O-OG1 3.39Å; G73-T76 PolarHBondContact O-N 3.26Å; G73-T76 PolarHBondContact O-OG1 2.88Å; T76-V78 VanDerWaalsContact C-N 3.29Å; T76-V78 PolarHBondContact O-N 2.91Å; T76-Y79 PolarHBondContact O-N 3.47Å; T76-Y80 HydrophobicContact CG2-CD1 4.08Å; T76-Y80 HydrophobicContact CG2-CD2 4.16Å; T76-Y80 HydrophobicContact CG2-CE1 3.51Å; T76-Y80 HydrophobicContact CG2-CE2 3.58Å; T76-Y80 HydrophobicContact CG2-CG 4.37Å; T76-Y80 WeakPolarHBondContact CG2-OH 3.31Å; T76-Y80 WeakPolarHBondContact O-CD1 3.17Å; T76-Y80 PolarHBondContact O-N 3.21Å; T76-K111 HydrophobicContact CG2-CD 4.27Å
77R87.1Confident86Confident162 Ų16263.6 Ų63.661%0.61130%0.301SS*.Hα-helixtrans-61.5-37.4175.8-73.1-174.8-175.8-89-0.6112.4M75 R81 K111M75-R77 VanDerWaalsContact C-N 3.27Å; M75-R77 PolarHBondContact O-N 2.85Å; M75-R77 VanDerWaalsContact O-N 3.16Å; R77-R81 PolarHBondContact O-N 2.8Å; R77-K111 HydrophobicContact CG-CB 4.38Å; R77-K111 HydrophobicContact CG-CD 3.84Å; R77-K111 HydrophobicContact CG-CG 3.94Å
78V89.8Confident86.6Confident88 Ų8863.4 Ų63.453%0.53330%0.299SS..Hα-helixtrans-67.8-42178.2-176.80000110.1M75 T76M75-V78 HydrophobicContact CE-CB 4.14Å; M75-V78 HydrophobicContact CE-CG1 4.25Å; M75-V78 HydrophobicContact CE-CG2 4Å; M75-V78 WeakPolarHBondContact O-CA 3.46Å; M75-V78 VanDerWaalsContact O-CB 3.32Å; M75-V78 WeakPolarHBondContact O-CB 3.33Å; M75-V78 PolarHBondContact O-N 3.21Å; M75-V78 HydrophobicContact SD-CG2 4.47Å; T76-V78 VanDerWaalsContact C-N 3.29Å; T76-V78 PolarHBondContact O-N 2.91Å
79Y91.1Very high87.8Confident42 Ų4262.9 Ų62.917%0.16529%0.294CS..Hα-helixtrans-66.6-38.2178.4-57.6-37.6000112.5K12 L14 V45 I66 M75 T76K12-Y79 WeakPolarHBondContact CE-O 3.47Å; K12-Y79 PolarHBondContact NZ-O 3.04Å; L14-Y79 WeakPolarHBondContact CD2-O 3.39Å; V45-Y79 HydrophobicContact CB-CE1 4.31Å; V45-Y79 HydrophobicContact CG2-CD1 3.62Å; V45-Y79 HydrophobicContact CG2-CD2 3.71Å; V45-Y79 HydrophobicContact CG2-CE1 3.52Å; V45-Y79 HydrophobicContact CG2-CE2 3.61Å; V45-Y79 HydrophobicContact CG2-CG 3.73Å; I66-Y79 HydrophobicContact CD1-CG 4.24Å; I66-Y79 HydrophobicContact CG2-CD2 4.49Å; M75-Y79 HydrophobicContact CB-CD2 4.21Å; M75-Y79 HydrophobicContact CB-CE1 4.34Å; M75-Y79 HydrophobicContact CB-CE2 3.52Å; M75-Y79 WeakPolarHBondContact O-CD2 3.4Å; M75-Y79 PolarHBondContact O-N 3.48Å; M75-Y79 VanDerWaalsContact O-N 3.11Å; T76-Y79 PolarHBondContact O-N 3.47Å
80Y93.9Very high88.6Confident1 Ų157.1 Ų57.10%0.00427%0.267CS..Hα-helixtrans-78-25.5-176-68.65.3000113.7L14 I16 T76 E82 A83 D107 L108 K111 L112L14-Y80 HydrophobicContact CD1-CD1 3.56Å; L14-Y80 HydrophobicContact CD1-CE1 4.16Å; L14-Y80 HydrophobicContact CD1-CG 3.78Å; L14-Y80 HydrophobicContact CD2-CD1 4.14Å; L14-Y80 HydrophobicContact CG-CD1 4.45Å; I16-Y80 HydrophobicContact CG2-CE1 4.03Å; T76-Y80 HydrophobicContact CG2-CD1 4.08Å; T76-Y80 HydrophobicContact CG2-CD2 4.16Å; T76-Y80 HydrophobicContact CG2-CE1 3.51Å; T76-Y80 HydrophobicContact CG2-CE2 3.58Å; T76-Y80 HydrophobicContact CG2-CG 4.37Å; T76-Y80 WeakPolarHBondContact CG2-OH 3.31Å; T76-Y80 WeakPolarHBondContact O-CD1 3.17Å; T76-Y80 PolarHBondContact O-N 3.21Å; Y80-E82 PolarHBondContact O-N 2.88Å; Y80-A83 WeakPolarHBondContact O-CB 3.37Å; Y80-A83 PolarHBondContact O-N 3.06Å; Y80-A83 VanDerWaalsContact O-N 3.07Å; Y80-D107 VanDerWaalsContact CE2-OD2 3.28Å; Y80-D107 WeakPolarHBondContact CE2-OD2 2.86Å; Y80-D107 PolarHBondContact OH-OD2 3.41Å; Y80-D107 VanDerWaalsContact OH-OD2 3.05Å; Y80-L108 HydrophobicContact CD2-CD1 3.89Å; Y80-L108 HydrophobicContact CE2-CB 4.31Å; Y80-L108 HydrophobicContact CE2-CD1 4.16Å; Y80-L108 HydrophobicContact CG-CD1 4.33Å; Y80-K111 HydrophobicContact CD2-CB 4.05Å; Y80-K111 HydrophobicContact CD2-CD 4.05Å; Y80-K111 HydrophobicContact CE2-CD 4.12Å; Y80-L112 WeakPolarHBondContact O-CD2 3.18Å
81R92.8Very high89.5Confident165 Ų16554.7 Ų54.762%0.62326%0.255SS*.THydrogen-bonded Turntrans-47.6132.4-176.8179.8174.2172168.31.7112.1K12 R77 A83K12-R81 PolarHBondContact NZ-O 2.69Å; R77-R81 PolarHBondContact O-N 2.8Å; R81-A83 PolarHBondContact O-N 3.02Å
82E93Very high90.8Very high133 Ų13353.3 Ų53.362%0.62125%0.251SS*.THydrogen-bonded Turntrans61.916176.5-65.1156.7-156.100114.6Y80Y80-E82 PolarHBondContact O-N 2.88Å
83A97.1Very high92Very high2 Ų248.1 Ų48.12%0.01723%0.234CC..  trans-68.8139.9168.200000110.9K12 L14 Y80 R81 L112 V120K12-A83 HydrophobicContact CD-CB 4.4Å; K12-A83 HydrophobicContact CG-CB 4.08Å; K12-A83 WeakPolarHBondContact O-CA 3.25Å; L14-A83 HydrophobicContact CD1-CB 3.66Å; L14-A83 HydrophobicContact CD2-CB 4.05Å; L14-A83 HydrophobicContact CG-CB 3.52Å; Y80-A83 WeakPolarHBondContact O-CB 3.37Å; Y80-A83 PolarHBondContact O-N 3.06Å; Y80-A83 VanDerWaalsContact O-N 3.07Å; R81-A83 PolarHBondContact O-N 3.02Å; A83-L112 HydrophobicContact CB-CD2 3.73Å; A83-V120 WeakPolarHBondContact O-CG1 3.1Å
84M96.9Very high93Very high44 Ų4451.5 Ų51.522%0.21724%0.239CC..  trans-98.6-19.8-179.7-65.8-64.1-72.400111.9Y11 K12 L114 I177Y11-M84 HydrophobicContact CD1-CB 4.28Å; Y11-M84 HydrophobicContact CD1-CG 4.13Å; K12-M84 PolarHBondContact O-N 2.81Å; M84-L114 HydrophobicContact SD-CD2 4.17Å; M84-I177 HydrophobicContact CB-CD1 4.33Å; M84-I177 HydrophobicContact CB-CG2 3.95Å; M84-I177 HydrophobicContact CE-CG2 4.32Å
85G98.1Very high93.7Very high0 Ų048.2 Ų48.20%023%0.226CC..EExtended strand (participates in β ladder)trans-162.8174.6174.300000112.8I13 L14 A121I13-G85 WeakPolarHBondContact CA-O 3.32Å; L14-G85 PolarHBondContact N-O 3.49Å; G85-A121 CarbonylContact C-O 3.39Å; G85-A121 WeakPolarHBondContact CA-O 3.43Å
86A98.6Very high94.2Very high0 Ų047 Ų470%023%0.231CC..EExtended strand (participates in β ladder)trans-145.4147.4-17800000112.9L14 L108 A121 T122 V123L14-A86 HydrophobicContact CB-CB 4.06Å; L14-A86 CarbonylContact O-C 3.52Å; L14-A86 VanDerWaalsContact O-CA 3.31Å; L14-A86 WeakPolarHBondContact O-CA 3.33Å; A86-L108 HydrophobicContact CB-CD2 3.56Å; A86-A121 PolarHBondContact N-O 2.59Å; A86-T122 HydrophobicContact CB-CG2 4.18Å; A86-T122 VanDerWaalsContact O-CA 3.31Å; A86-T122 WeakPolarHBondContact O-CA 3.39Å; A86-V123 PolarHBondContact O-N 3.39Å
87F98.8Very high94.8Very high12 Ų1247.1 Ų47.15%0.05323%0.232CC..EExtended strand (participates in β ladder)trans-102.2127.5158.3-65.8-60.9000109.4I13 L14 V15 I16 V89 V123 L125 A169 A170 L173I13-F87 HydrophobicContact CG2-CD2 3.86Å; I13-F87 HydrophobicContact CG2-CE2 3.93Å; L14-F87 PolarHBondContact O-N 3.49Å; V15-F87 HydrophobicContact CG1-CB 4.35Å; V15-F87 HydrophobicContact CG2-CD2 4.2Å; I16-F87 WeakPolarHBondContact CG1-O 3.28Å; I16-F87 PolarHBondContact N-O 3.32Å; F87-V89 HydrophobicContact CB-CG2 4.38Å; F87-V123 WeakPolarHBondContact CA-O 3.37Å; F87-V123 HydrophobicContact CD1-CB 3.84Å; F87-V123 HydrophobicContact CD1-CG1 4.17Å; F87-V123 HydrophobicContact CE1-CB 3.93Å; F87-V123 HydrophobicContact CE1-CG1 4.14Å; F87-L125 HydrophobicContact CB-CD1 3.92Å; F87-L125 HydrophobicContact CB-CG 4.26Å; F87-L125 HydrophobicContact CD1-CD1 3.75Å; F87-L125 HydrophobicContact CD1-CD2 3.95Å; F87-L125 HydrophobicContact CD1-CG 3.89Å; F87-L125 HydrophobicContact CE1-CD1 4.39Å; F87-L125 HydrophobicContact CE1-CD2 4.29Å; F87-L125 HydrophobicContact CG-CD1 3.84Å; F87-L125 HydrophobicContact CG-CG 4.33Å; F87-A169 HydrophobicContact CE1-CB 4.27Å; F87-A170 HydrophobicContact CZ-CB 4.2Å; F87-L173 HydrophobicContact CD1-CD2 4.2Å; F87-L173 HydrophobicContact CD2-CD2 4.25Å; F87-L173 HydrophobicContact CE1-CB 4.06Å; F87-L173 HydrophobicContact CE1-CD2 3.74Å; F87-L173 HydrophobicContact CE2-CD2 3.81Å; F87-L173 HydrophobicContact CG-CD2 4.44Å; F87-L173 HydrophobicContact CZ-CB 4.12Å; F87-L173 HydrophobicContact CZ-CD2 3.54Å; F87-L173 HydrophobicContact CZ-CG 4.49Å
88I98.5Very high95.2Very high0 Ų042 Ų420%021%0.214CC..EExtended strand (participates in β ladder)trans-103.8120.9165.8-52.2-166.4000107.4I16 V101 W104 K105 T122 V123 L124 L125 F152I16-I88 HydrophobicContact CD1-CD1 4.06Å; I16-I88 HydrophobicContact CD1-CG1 3.92Å; I16-I88 HydrophobicContact CG1-CB 4.45Å; I16-I88 HydrophobicContact CG1-CD1 4.44Å; I16-I88 HydrophobicContact CG1-CG1 3.81Å; I16-I88 WeakPolarHBondContact O-CA 3.49Å; I88-V101 HydrophobicContact CG2-CB 4.46Å; I88-V101 HydrophobicContact CG2-CG1 4.08Å; I88-V101 HydrophobicContact CG2-CG2 4.28Å; I88-W104 HydrophobicContact CD1-CB 4.19Å; I88-W104 HydrophobicContact CG2-CB 4Å; I88-K105 HydrophobicContact CD1-CB 3.89Å; I88-K105 HydrophobicContact CD1-CD 3.91Å; I88-T122 HydrophobicContact CD1-CG2 3.88Å; I88-T122 HydrophobicContact CG1-CG2 3.66Å; I88-V123 PolarHBondContact N-O 2.94Å; I88-L124 HydrophobicContact CB-CD1 4.4Å; I88-L124 WeakPolarHBondContact O-CD1 3.43Å; I88-L125 PolarHBondContact O-N 2.76Å; I88-F152 HydrophobicContact CB-CE1 4.11Å; I88-F152 HydrophobicContact CD1-CE1 3.8Å; I88-F152 HydrophobicContact CD1-CZ 3.98Å; I88-F152 HydrophobicContact CG1-CE1 4.04Å
89V98.6Very high95.4Very high1 Ų144.1 Ų44.11%0.00622%0.218CC..EExtended strand (participates in β ladder)trans-111.3131.1-172.4-168.10000109.9V15 I16 V21 K23 I26 F87 L125 N127V15-V89 HydrophobicContact CG1-CG2 3.94Å; I16-V89 PolarHBondContact O-N 3.36Å; V21-V89 HydrophobicContact CB-CG1 4.34Å; V21-V89 HydrophobicContact CG2-CB 3.89Å; V21-V89 HydrophobicContact CG2-CG1 3.92Å; V21-V89 WeakPolarHBondContact CG2-O 3.44Å; K23-V89 HydrophobicContact CG-CB 3.99Å; K23-V89 HydrophobicContact CG-CG2 4Å; I26-V89 HydrophobicContact CD1-CG1 3.7Å; I26-V89 HydrophobicContact CD1-CG2 4.23Å; F87-V89 HydrophobicContact CB-CG2 4.38Å; V89-L125 WeakPolarHBondContact CA-O 3.47Å; V89-L125 HydrophobicContact CB-CB 4.43Å; V89-L125 HydrophobicContact CG1-CB 4.21Å; V89-L125 HydrophobicContact CG2-CB 4.18Å; V89-L125 HydrophobicContact CG2-CD1 4.07Å; V89-L125 HydrophobicContact CG2-CG 4.42Å; V89-N127 HydrophobicContact CG1-CB 3.74Å
90F97.6Very high95.6Very high8 Ų842.6 Ų42.64%0.03521%0.214CC..EExtended strand (participates in β ladder)trans-125.5165.2167.377.7-85000110.9V92 S97 F98 V101 L124 L125 A126 N127F90-V92 HydrophobicContact CE2-CG1 4.1Å; F90-S97 WeakPolarHBondContact CB-O 3.26Å; F90-F98 HydrophobicContact CD1-CD2 4.05Å; F90-F98 HydrophobicContact CD2-CB 3.77Å; F90-F98 HydrophobicContact CD2-CD2 4.08Å; F90-F98 HydrophobicContact CD2-CG 4.39Å; F90-F98 AromaticContact CE1-CD2 3.81Å; F90-F98 HydrophobicContact CE1-CD2 3.81Å; F90-F98 HydrophobicContact CE1-CE2 4.32Å; F90-F98 HydrophobicContact CE2-CB 4.06Å; F90-F98 AromaticContact CE2-CD2 3.86Å; F90-F98 HydrophobicContact CE2-CD2 3.86Å; F90-F98 HydrophobicContact CE2-CG 4.31Å; F90-F98 HydrophobicContact CG-CB 4.24Å; F90-F98 HydrophobicContact CG-CD2 4.16Å; F90-F98 AromaticContact CZ-CD2 3.7Å; F90-F98 HydrophobicContact CZ-CD2 3.7Å; F90-F98 HydrophobicContact CZ-CE2 4.32Å; F90-V101 HydrophobicContact CB-CG2 3.9Å; F90-V101 HydrophobicContact CD1-CG2 4.1Å; F90-V101 HydrophobicContact CG-CG2 4.25Å; F90-L124 HydrophobicContact CD1-CD1 3.74Å; F90-L124 HydrophobicContact CD1-CG 4.22Å; F90-L124 HydrophobicContact CE1-CD1 4.02Å; F90-L124 HydrophobicContact CE1-CD2 4.14Å; F90-L124 HydrophobicContact CE1-CG 3.99Å; F90-L125 WeakPolarHBondContact CD1-O 3.48Å; F90-L125 PolarHBondContact N-O 3.02Å; F90-A126 HydrophobicContact CD1-CB 4.41Å; F90-A126 VanDerWaalsContact CE1-CA 3.46Å; F90-A126 HydrophobicContact CE1-CB 3.48Å; F90-A126 VanDerWaalsContact CE1-CB 3.48Å; F90-A126 HydrophobicContact CE2-CB 4.16Å; F90-A126 HydrophobicContact CZ-CB 3.33Å; F90-N127 WeakPolarHBondContact O-CB 3.35Å; F90-N127 PolarHBondContact O-N 3.06Å
91D95.8Very high95.7Very high1 Ų142.6 Ų42.61%0.00521%0.214CC..EExtended strand (participates in β ladder)trans-102.8117.5-180-178.6-14.2000109.4V21 T93 R94 S97 K128V21-D91 HydrophobicContact CB-CB 4.28Å; V21-D91 HydrophobicContact CG1-CB 4.18Å; D91-T93 VanDerWaalsContact CG-OG1 3.29Å; D91-T93 PolarHBondContact O-N 3.12Å; D91-T93 VanDerWaalsContact O-N 3.09Å; D91-T93 WeakPolarHBondContact OD1-CB 3.49Å; D91-T93 PolarHBondContact OD1-N 2.91Å; D91-T93 PolarHBondContact OD1-OG1 3.28Å; D91-T93 PolarHBondContact OD2-OG1 3.19Å; D91-R94 HydrophobicContact CB-CB 4.22Å; D91-R94 CarbonylContact O-C 3.59Å; D91-R94 PolarHBondContact O-N 2.98Å; D91-R94 IonicContact OD2-CZ 3.62Å; D91-R94 IonicContact OD2-NE 2.62Å; D91-R94 PolarHBondContact OD2-NE 2.91Å; D91-R94 IonicContact OD2-NH2 3.49Å; D91-R94 PolarHBondContact OD2-NH2 3.47Å; D91-S97 PolarHBondContact N-OG 3.19Å; D91-S97 PolarHBondContact O-OG 3.09Å; D91-K128 WeakPolarHBondContact OD1-CD 3.11Å; D91-K128 WeakPolarHBondContact OD2-CE 3.32Å; D91-K128 IonicContact OD2-NZ 2.6Å; D91-K128 PolarHBondContact OD2-NZ 2.62Å
92V94.5Very high95.8Very high11 Ų1136.6 Ų36.67%0.06720%0.196CC..THydrogen-bonded Turntrans-63-20.1-176.6-55.50000113.3F90 R94 A126 N127 K128 L136F90-V92 HydrophobicContact CE2-CG1 4.1Å; V92-R94 VanDerWaalsContact C-N 3.34Å; V92-A126 HydrophobicContact CG1-CB 3.79Å; V92-N127 WeakPolarHBondContact CG1-O 3.21Å; V92-N127 WeakPolarHBondContact CG2-O 3.45Å; V92-N127 PolarHBondContact N-O 3.37Å; V92-K128 HydrophobicContact CG2-CB 4.48Å; V92-K128 VanDerWaalsContact CG2-O 3.23Å; V92-K128 WeakPolarHBondContact CG2-O 3.31Å; V92-L136 HydrophobicContact CB-CD1 4.13Å; V92-L136 HydrophobicContact CG1-CD1 3.39Å; V92-L136 HydrophobicContact CG1-CG 4.35Å
93T92.9Very high95.9Very high61 Ų6135.3 Ų35.337%0.37419%0.188SC..THydrogen-bonded Turntrans-85.7-8.9177.770.60000112.8D91 Q131D91-T93 VanDerWaalsContact CG-OG1 3.29Å; D91-T93 PolarHBondContact O-N 3.12Å; D91-T93 VanDerWaalsContact O-N 3.09Å; D91-T93 WeakPolarHBondContact OD1-CB 3.49Å; D91-T93 PolarHBondContact OD1-N 2.91Å; D91-T93 PolarHBondContact OD1-OG1 3.28Å; D91-T93 PolarHBondContact OD2-OG1 3.19Å; T93-Q131 HydrophobicContact CG2-CB 3.6Å
94R93.6Very high95.9Very high95 Ų9535.3 Ų35.336%0.35819%0.188SC..  trans-128.494.3-176.4-65.7-170.5-64140.13.9111.2L19 G20 D91 V92 A96 S97L19-R94 PolarHBondContact O-NH1 3.18Å; L19-R94 PolarHBondContact O-NH2 3Å; G20-R94 PolarHBondContact O-NH2 2.82Å; D91-R94 HydrophobicContact CB-CB 4.22Å; D91-R94 CarbonylContact O-C 3.59Å; D91-R94 PolarHBondContact O-N 2.98Å; D91-R94 IonicContact OD2-CZ 3.62Å; D91-R94 IonicContact OD2-NE 2.62Å; D91-R94 PolarHBondContact OD2-NE 2.91Å; D91-R94 IonicContact OD2-NH2 3.49Å; D91-R94 PolarHBondContact OD2-NH2 3.47Å; V92-R94 VanDerWaalsContact C-N 3.34Å; R94-A96 VanDerWaalsContact C-N 3.27Å; R94-A96 PolarHBondContact O-N 2.88Å; R94-S97 WeakPolarHBondContact O-CB 3.35Å; R94-S97 PolarHBondContact O-N 3.42Å; R94-S97 PolarHBondContact O-OG 2.98Å
95P92Very high95.9Very high95 Ų9533.5 Ų33.562%0.61718%0.179SC*.Hα-helixtrans-53.1-38.3-178.3-29.336000114.7S97 F98 E99P95-S97 PolarHBondContact O-N 3.47Å; P95-S97 VanDerWaalsContact O-N 3.11Å; P95-F98 WeakPolarHBondContact O-CA 3.15Å; P95-F98 WeakPolarHBondContact O-CB 3.32Å; P95-F98 PolarHBondContact O-N 3.01Å; P95-E99 PolarHBondContact O-N 2.78Å; P95-E99 VanDerWaalsContact O-N 3.14Å
96A94.4Very high95.8Very high65 Ų6539.3 Ų39.354%0.53721%0.206SC..Hα-helixtrans-56.8-30.3177.200000113.4R94 F98 E99 A100R94-A96 VanDerWaalsContact C-N 3.27Å; R94-A96 PolarHBondContact O-N 2.88Å; A96-F98 VanDerWaalsContact C-N 3.33Å; A96-E99 PolarHBondContact O-N 3.22Å; A96-A100 PolarHBondContact O-N 2.97Å
97S95.7Very high95.6Very high4 Ų440.5 Ų40.53%0.02821%0.212CC..Hα-helixtrans-73.3-26.2176.772.30000113F90 D91 R94 P95F90-S97 WeakPolarHBondContact CB-O 3.26Å; D91-S97 PolarHBondContact N-OG 3.19Å; D91-S97 PolarHBondContact O-OG 3.09Å; R94-S97 WeakPolarHBondContact O-CB 3.35Å; R94-S97 PolarHBondContact O-N 3.42Å; R94-S97 PolarHBondContact O-OG 2.98Å; P95-S97 PolarHBondContact O-N 3.47Å; P95-S97 VanDerWaalsContact O-N 3.11Å
98F95.4Very high95.4Very high53 Ų5339.9 Ų39.923%0.23221%0.21CC..Hα-helixtrans-73.7-42.3171.5178.7-106.3000110.9F90 P95 A96 A100 V101 L124 M143 F146F90-F98 HydrophobicContact CD1-CD2 4.05Å; F90-F98 HydrophobicContact CD2-CB 3.77Å; F90-F98 HydrophobicContact CD2-CD2 4.08Å; F90-F98 HydrophobicContact CD2-CG 4.39Å; F90-F98 AromaticContact CE1-CD2 3.81Å; F90-F98 HydrophobicContact CE1-CD2 3.81Å; F90-F98 HydrophobicContact CE1-CE2 4.32Å; F90-F98 HydrophobicContact CE2-CB 4.06Å; F90-F98 AromaticContact CE2-CD2 3.86Å; F90-F98 HydrophobicContact CE2-CD2 3.86Å; F90-F98 HydrophobicContact CE2-CG 4.31Å; F90-F98 HydrophobicContact CG-CB 4.24Å; F90-F98 HydrophobicContact CG-CD2 4.16Å; F90-F98 AromaticContact CZ-CD2 3.7Å; F90-F98 HydrophobicContact CZ-CD2 3.7Å; F90-F98 HydrophobicContact CZ-CE2 4.32Å; P95-F98 WeakPolarHBondContact O-CA 3.15Å; P95-F98 WeakPolarHBondContact O-CB 3.32Å; P95-F98 PolarHBondContact O-N 3.01Å; A96-F98 VanDerWaalsContact C-N 3.33Å; F98-A100 PolarHBondContact O-N 3.03Å; F98-A100 VanDerWaalsContact O-N 3.17Å; F98-V101 HydrophobicContact CD2-CG2 4.3Å; F98-V101 WeakPolarHBondContact O-CB 3.46Å; F98-V101 VanDerWaalsContact O-CG2 3.31Å; F98-V101 WeakPolarHBondContact O-CG2 3.45Å; F98-V101 PolarHBondContact O-N 2.88Å; F98-L124 HydrophobicContact CE2-CD2 4.39Å; F98-M143 HydrophobicContact CE1-CE 4.31Å; F98-M143 HydrophobicContact CE2-CE 4Å; F98-M143 HydrophobicContact CE2-SD 3.75Å; F98-M143 HydrophobicContact CZ-CE 3.5Å; F98-M143 HydrophobicContact CZ-SD 3.93Å; F98-F146 HydrophobicContact CE1-CE2 4.41Å; F98-F146 HydrophobicContact CE2-CD1 4.19Å; F98-F146 AromaticContact CE2-CE1 3.99Å; F98-F146 HydrophobicContact CE2-CE1 3.99Å; F98-F146 HydrophobicContact CE2-CE2 4.5Å; F98-F146 HydrophobicContact CE2-CZ 4.14Å; F98-F146 HydrophobicContact CZ-CD1 4.09Å; F98-F146 AromaticContact CZ-CD2 3.88Å; F98-F146 HydrophobicContact CZ-CD2 3.88Å; F98-F146 HydrophobicContact CZ-CE1 4.07Å; F98-F146 AromaticContact CZ-CE2 3.84Å; F98-F146 HydrophobicContact CZ-CE2 3.84Å; F98-F146 AromaticContact CZ-CG 4Å; F98-F146 HydrophobicContact CZ-CG 4Å; F98-F146 AromaticContact CZ-CZ 3.94Å; F98-F146 HydrophobicContact CZ-CZ 3.94Å
99E93.6Very high95.3Very high134 Ų13441.6 Ų41.663%0.62622%0.219SC*.Hα-helixtrans-59.6-27174.3-64.7172.8-169.200112.8P95 A96 V101P95-E99 PolarHBondContact O-N 2.78Å; P95-E99 VanDerWaalsContact O-N 3.14Å; A96-E99 PolarHBondContact O-N 3.22Å; E99-V101 VanDerWaalsContact C-N 3.32Å
100A94.9Very high95.1Very high9 Ų945.4 Ų45.47%0.07425%0.245CC..Hα-helixtrans-76.3-13.6175.100000113.9D18 A96 F98 K103 W104D18-A100 WeakPolarHBondContact OD1-CB 3.49Å; D18-A100 WeakPolarHBondContact OD2-CB 3.4Å; A96-A100 PolarHBondContact O-N 2.97Å; F98-A100 PolarHBondContact O-N 3.03Å; F98-A100 VanDerWaalsContact O-N 3.17Å; A100-K103 WeakPolarHBondContact O-CB 3.23Å; A100-K103 PolarHBondContact O-N 3.05Å; A100-W104 PolarHBondContact O-N 3.01Å
101V96.6Very high94.9Very high1 Ų147.4 Ų47.41%0.00625%0.254CS..Hα-helixtrans-62.3-47-174.8168.50000112.3I88 F90 F98 E99 K103 W104 K105 L124 F146 F152I88-V101 HydrophobicContact CG2-CB 4.46Å; I88-V101 HydrophobicContact CG2-CG1 4.08Å; I88-V101 HydrophobicContact CG2-CG2 4.28Å; F90-V101 HydrophobicContact CB-CG2 3.9Å; F90-V101 HydrophobicContact CD1-CG2 4.1Å; F90-V101 HydrophobicContact CG-CG2 4.25Å; F98-V101 HydrophobicContact CD2-CG2 4.3Å; F98-V101 WeakPolarHBondContact O-CB 3.46Å; F98-V101 VanDerWaalsContact O-CG2 3.31Å; F98-V101 WeakPolarHBondContact O-CG2 3.45Å; F98-V101 PolarHBondContact O-N 2.88Å; E99-V101 VanDerWaalsContact C-N 3.32Å; V101-K103 VanDerWaalsContact C-N 3.29Å; V101-K103 PolarHBondContact O-N 2.87Å; V101-W104 WeakPolarHBondContact O-CB 3.32Å; V101-W104 PolarHBondContact O-N 3.18Å; V101-W104 VanDerWaalsContact O-N 3.08Å; V101-K105 PolarHBondContact O-N 2.81Å; V101-L124 HydrophobicContact CB-CD1 4.42Å; V101-L124 HydrophobicContact CG1-CD1 3.57Å; V101-L124 HydrophobicContact CG2-CD1 3.89Å; V101-F146 HydrophobicContact CB-CZ 4.35Å; V101-F146 HydrophobicContact CG1-CE1 3.87Å; V101-F146 HydrophobicContact CG1-CZ 3.94Å; V101-F152 HydrophobicContact CG1-CE1 4.39Å; V101-F152 HydrophobicContact CG1-CE2 4.09Å; V101-F152 HydrophobicContact CG1-CZ 3.52Å
102T95.9Very high94.8Very high39 Ų3948.1 Ų48.124%0.23926%0.258CS..Hα-helixtrans-60.2-45.4179.652.80000110.8W104 K105 E106 F146T102-W104 VanDerWaalsContact C-N 3.31Å; T102-W104 PolarHBondContact O-N 3.34Å; T102-K105 CarbonylContact O-C 3.53Å; T102-K105 WeakPolarHBondContact O-CA 3.29Å; T102-K105 WeakPolarHBondContact O-CB 3.48Å; T102-K105 PolarHBondContact O-N 2.6Å; T102-E106 WeakPolarHBondContact O-CB 3.41Å; T102-E106 WeakPolarHBondContact O-CG 3.43Å; T102-E106 PolarHBondContact O-N 2.95Å; T102-F146 HydrophobicContact CG2-CE2 3.69Å; T102-F146 HydrophobicContact CG2-CZ 3.67Å
103K95.3Very high94.7Very high106 Ų10651.5 Ų51.546%0.46128%0.279SS..Hα-helixtrans-53.3-40.8171.5-95.7179.6-159.8172.60113.5R71 A100 V101 D107R71-K103 VanDerWaalsContact CZ-O 3.32Å; R71-K103 PolarHBondContact NE-O 3.46Å; R71-K103 VanDerWaalsContact NH2-CA 3.32Å; R71-K103 VanDerWaalsContact NH2-CG 3.33Å; R71-K103 PolarHBondContact NH2-O 3.29Å; A100-K103 WeakPolarHBondContact O-CB 3.23Å; A100-K103 PolarHBondContact O-N 3.05Å; V101-K103 VanDerWaalsContact C-N 3.29Å; V101-K103 PolarHBondContact O-N 2.87Å; K103-D107 WeakPolarHBondContact O-CB 3.46Å; K103-D107 PolarHBondContact O-N 3.34Å
104W95.9Very high94.6Very high2 Ų249.4 Ų49.41%0.00827%0.265CS..Hα-helixtrans-73.4-36.9173.5-80.9107.4000112.3I16 G17 D18 G68 R71 I88 A100 V101 T102 D107 L108I16-W104 HydrophobicContact CB-CD2 4.46Å; I16-W104 HydrophobicContact CB-CE3 3.85Å; I16-W104 HydrophobicContact CB-CZ3 3.98Å; I16-W104 HydrophobicContact CD1-CB 4.41Å; I16-W104 HydrophobicContact CD1-CE3 4.08Å; I16-W104 HydrophobicContact CG1-CE3 4.31Å; I16-W104 HydrophobicContact CG2-CZ3 4.3Å; G17-W104 VanDerWaalsContact O-CZ2 3.3Å; G17-W104 WeakPolarHBondContact O-CZ2 3.4Å; D18-W104 PolarHBondContact OD1-NE1 2.8Å; G68-W104 WeakPolarHBondContact O-CZ2 3.5Å; R71-W104 HydrophobicContact CB-CE3 4.38Å; R71-W104 HydrophobicContact CB-CH2 3.44Å; R71-W104 VanDerWaalsContact CB-CH2 3.44Å; R71-W104 HydrophobicContact CB-CZ2 3.74Å; R71-W104 HydrophobicContact CB-CZ3 3.77Å; R71-W104 HydrophobicContact CG-CD2 4.22Å; R71-W104 HydrophobicContact CG-CE3 3.95Å; R71-W104 HydrophobicContact CG-CH2 3.94Å; R71-W104 HydrophobicContact CG-CZ2 4.15Å; R71-W104 HydrophobicContact CG-CZ3 3.81Å; I88-W104 HydrophobicContact CD1-CB 4.19Å; I88-W104 HydrophobicContact CG2-CB 4Å; A100-W104 PolarHBondContact O-N 3.01Å; V101-W104 WeakPolarHBondContact O-CB 3.32Å; V101-W104 PolarHBondContact O-N 3.18Å; V101-W104 VanDerWaalsContact O-N 3.08Å; T102-W104 VanDerWaalsContact C-N 3.31Å; T102-W104 PolarHBondContact O-N 3.34Å; W104-D107 PolarHBondContact O-N 3.38Å; W104-L108 PolarHBondContact O-N 3.09Å
105K97Very high94.3Very high6 Ų649.5 Ų49.53%0.02629%0.286CS..Hα-helixtrans-66.8-46.8178.5-17361.4167.9770112.2I88 V101 T102 D107 L108 D109 T122 N150 G151 F152I88-K105 HydrophobicContact CD1-CB 3.89Å; I88-K105 HydrophobicContact CD1-CD 3.91Å; V101-K105 PolarHBondContact O-N 2.81Å; T102-K105 CarbonylContact O-C 3.53Å; T102-K105 WeakPolarHBondContact O-CA 3.29Å; T102-K105 WeakPolarHBondContact O-CB 3.48Å; T102-K105 PolarHBondContact O-N 2.6Å; K105-D107 VanDerWaalsContact C-N 3.29Å; K105-D107 PolarHBondContact O-N 2.85Å; K105-L108 WeakPolarHBondContact O-CB 3.24Å; K105-L108 PolarHBondContact O-N 3.41Å; K105-D109 IonicContact NZ-OD1 2.81Å; K105-D109 PolarHBondContact NZ-OD1 3.05Å; K105-D109 IonicContact NZ-OD2 3.72Å; K105-D109 PolarHBondContact NZ-OD2 3.3Å; K105-D109 WeakPolarHBondContact O-CB 3.5Å; K105-D109 PolarHBondContact O-N 2.89Å; K105-T122 HydrophobicContact CD-CG2 4.11Å; K105-N150 VanDerWaalsContact CE-O 3.29Å; K105-N150 WeakPolarHBondContact CE-O 3.39Å; K105-G151 WeakPolarHBondContact CE-O 3.47Å; K105-F152 HydrophobicContact CB-CE2 4.46Å; K105-F152 HydrophobicContact CB-CZ 4.03Å; K105-F152 HydrophobicContact CD-CE1 4.12Å; K105-F152 HydrophobicContact CD-CE2 4.38Å; K105-F152 HydrophobicContact CD-CZ 3.94Å; K105-F152 HydrophobicContact CG-CE2 4.2Å; K105-F152 HydrophobicContact CG-CZ 4.04Å
106E95.3Very high93.8Very high123 Ų12347.6 Ų47.658%0.57527%0.271SS*.Hα-helixtrans-59.2-41.1174.7-71166.9-17600111.6T102 S110T102-E106 WeakPolarHBondContact O-CB 3.41Å; T102-E106 WeakPolarHBondContact O-CG 3.43Å; T102-E106 PolarHBondContact O-N 2.95Å; E106-S110 WeakPolarHBondContact O-CB 3.42Å; E106-S110 PolarHBondContact O-N 3.16Å; E106-S110 PolarHBondContact O-OG 3.07Å
107D94.3Very high93.5Very high24 Ų2447 Ų4713%0.12827%0.271CS..Hα-helixtrans-64.4-40.8177.8-170.177.6000112.1Y80 K103 W104 K105 S110 K111Y80-D107 VanDerWaalsContact CE2-OD2 3.28Å; Y80-D107 WeakPolarHBondContact CE2-OD2 2.86Å; Y80-D107 PolarHBondContact OH-OD2 3.41Å; Y80-D107 VanDerWaalsContact OH-OD2 3.05Å; K103-D107 WeakPolarHBondContact O-CB 3.46Å; K103-D107 PolarHBondContact O-N 3.34Å; W104-D107 PolarHBondContact O-N 3.38Å; K105-D107 VanDerWaalsContact C-N 3.29Å; K105-D107 PolarHBondContact O-N 2.85Å; D107-S110 PolarHBondContact O-OG 3.19Å; D107-S110 VanDerWaalsContact O-OG 3.14Å; D107-K111 WeakPolarHBondContact O-CB 3.3Å; D107-K111 WeakPolarHBondContact O-CD 3.5Å; D107-K111 VanDerWaalsContact O-CG 3.3Å; D107-K111 WeakPolarHBondContact O-CG 2.98Å; D107-K111 WeakPolarHBondContact OD1-CE 3.22Å; D107-K111 IonicContact OD1-NZ 3.46Å; D107-K111 PolarHBondContact OD1-NZ 3.48Å; D107-K111 IonicContact OD2-NZ 3.37Å; D107-K111 PolarHBondContact OD2-NZ 3.1Å
108L95.6Very high93.3Very high0 Ų051.8 Ų51.80%029%0.291CS..Hα-helixtrans-64.2-55.4174.7176.862.8000111.2L14 I16 Y80 A86 W104 K105 S110 K111 L112 V120 T122L14-L108 HydrophobicContact CD1-CD1 3.62Å; I16-L108 HydrophobicContact CD1-CB 4.31Å; I16-L108 HydrophobicContact CD1-CD2 4.36Å; Y80-L108 HydrophobicContact CD2-CD1 3.89Å; Y80-L108 HydrophobicContact CE2-CB 4.31Å; Y80-L108 HydrophobicContact CE2-CD1 4.16Å; Y80-L108 HydrophobicContact CG-CD1 4.33Å; A86-L108 HydrophobicContact CB-CD2 3.56Å; W104-L108 PolarHBondContact O-N 3.09Å; K105-L108 WeakPolarHBondContact O-CB 3.24Å; K105-L108 PolarHBondContact O-N 3.41Å; L108-S110 VanDerWaalsContact C-N 3.31Å; L108-S110 PolarHBondContact O-N 2.84Å; L108-K111 PolarHBondContact O-N 3.24Å; L108-K111 VanDerWaalsContact O-N 3.09Å; L108-L112 HydrophobicContact CD1-CB 4.37Å; L108-L112 HydrophobicContact CD1-CD2 4.04Å; L108-L112 PolarHBondContact O-N 3.42Å; L108-V120 HydrophobicContact CD1-CG2 4.17Å; L108-V120 HydrophobicContact CD2-CG2 3.83Å; L108-V120 HydrophobicContact CG-CG2 4.1Å; L108-T122 HydrophobicContact CD2-CG2 4.4Å
109D95.9Very high93.3Very high35 Ų3552.6 Ų52.619%0.18730%0.298CS..Hα-helixtrans-64.4-33.9-174.5-69.7-6.8000112.4K105 K111 N119K105-D109 IonicContact NZ-OD1 2.81Å; K105-D109 PolarHBondContact NZ-OD1 3.05Å; K105-D109 IonicContact NZ-OD2 3.72Å; K105-D109 PolarHBondContact NZ-OD2 3.3Å; K105-D109 WeakPolarHBondContact O-CB 3.5Å; K105-D109 PolarHBondContact O-N 2.89Å; D109-K111 VanDerWaalsContact C-N 3.26Å; D109-K111 PolarHBondContact O-N 3.26Å; D109-N119 PolarHBondContact OD2-ND2 2.96Å
110S94.1Very high93.4Very high81 Ų8146.3 Ų46.357%0.56627%0.269SS*.THydrogen-bonded Turntrans-73-16.2177.3650000114.3E106 D107 L108E106-S110 WeakPolarHBondContact O-CB 3.42Å; E106-S110 PolarHBondContact O-N 3.16Å; E106-S110 PolarHBondContact O-OG 3.07Å; D107-S110 PolarHBondContact O-OG 3.19Å; D107-S110 VanDerWaalsContact O-OG 3.14Å; L108-S110 VanDerWaalsContact C-N 3.31Å; L108-S110 PolarHBondContact O-N 2.84Å
111K93.8Very high93.6Very high50 Ų5046 Ų4622%0.21727%0.267CS..THydrogen-bonded Turntrans-111.9-20.2-175.5-68.4175.1-171.2165.90113.1T76 R77 Y80 D107 L108 D109T76-K111 HydrophobicContact CG2-CD 4.27Å; R77-K111 HydrophobicContact CG-CB 4.38Å; R77-K111 HydrophobicContact CG-CD 3.84Å; R77-K111 HydrophobicContact CG-CG 3.94Å; Y80-K111 HydrophobicContact CD2-CB 4.05Å; Y80-K111 HydrophobicContact CD2-CD 4.05Å; Y80-K111 HydrophobicContact CE2-CD 4.12Å; D107-K111 WeakPolarHBondContact O-CB 3.3Å; D107-K111 WeakPolarHBondContact O-CD 3.5Å; D107-K111 VanDerWaalsContact O-CG 3.3Å; D107-K111 WeakPolarHBondContact O-CG 2.98Å; D107-K111 WeakPolarHBondContact OD1-CE 3.22Å; D107-K111 IonicContact OD1-NZ 3.46Å; D107-K111 PolarHBondContact OD1-NZ 3.48Å; D107-K111 IonicContact OD2-NZ 3.37Å; D107-K111 PolarHBondContact OD2-NZ 3.1Å; L108-K111 PolarHBondContact O-N 3.24Å; L108-K111 VanDerWaalsContact O-N 3.09Å; D109-K111 VanDerWaalsContact C-N 3.26Å; D109-K111 PolarHBondContact O-N 3.26Å
112L94.1Very high93.7Very high17 Ų1746 Ų469%0.08927%0.266CS..  trans-143.2117.8-171.9-175.969.4000111.7L14 Y80 A83 L108 V120L14-L112 HydrophobicContact CD1-CD2 4.5Å; Y80-L112 WeakPolarHBondContact O-CD2 3.18Å; A83-L112 HydrophobicContact CB-CD2 3.73Å; L108-L112 HydrophobicContact CD1-CB 4.37Å; L108-L112 HydrophobicContact CD1-CD2 4.04Å; L108-L112 PolarHBondContact O-N 3.42Å; L112-V120 HydrophobicContact CD2-CB 4.49Å; L112-V120 HydrophobicContact CD2-CG1 3.55Å; L112-V120 HydrophobicContact CD2-CG2 4.15Å; L112-V120 HydrophobicContact CG-CG1 3.84Å
113T93.3Very high93.8Very high82 Ų8244.1 Ų44.150%0.50326%0.255SS..BIsolated β-bridgetrans-124.2149.8167.451.90000109
114L89.9Confident94Very high16 Ų1639.1 Ų39.18%0.08423%0.233CC..  trans-71164.6171.8-65.4174000110.1M84 N116 G117 K118 V120 N180M84-L114 HydrophobicContact SD-CD2 4.17Å; L114-N116 WeakPolarHBondContact CB-OD1 3.4Å; L114-N116 PolarHBondContact O-N 3.49Å; L114-N116 VanDerWaalsContact O-N 3.14Å; L114-G117 WeakPolarHBondContact O-CA 3.46Å; L114-G117 PolarHBondContact O-N 2.83Å; L114-K118 WeakPolarHBondContact CB-O 3.27Å; L114-K118 PolarHBondContact N-O 3.45Å; L114-V120 HydrophobicContact CD2-CG1 3.85Å; L114-V120 HydrophobicContact CG-CG1 4Å; L114-N180 HydrophobicContact CD1-CB 4.42Å
115A86.5Confident94.1Very high97 Ų9739.2 Ų39.280%0.80223%0.234SC*.THydrogen-bonded Turntrans-61.7-25.1-177.900000113.4G117 M184A115-G117 PolarHBondContact O-N 3.24Å; A115-M184 HydrophobicContact CB-CE 3.71Å
116N83.4Confident94.1Very high55 Ų5539 Ų3929%0.29423%0.233SC..THydrogen-bonded Turntrans-80.47.7173.164.98.5000113.9L114 K118 M184L114-N116 WeakPolarHBondContact CB-OD1 3.4Å; L114-N116 PolarHBondContact O-N 3.49Å; L114-N116 VanDerWaalsContact O-N 3.14Å; N116-K118 PolarHBondContact O-N 3.05Å; N116-K118 WeakPolarHBondContact OD1-CB 3.31Å; N116-K118 PolarHBondContact OD1-N 2.95Å; N116-M184 HydrophobicContact CB-CG 4.12Å; N116-M184 WeakPolarHBondContact ND2-CG 3.37Å
117G87.8Confident94.2Very high53 Ų5333.3 Ų33.355%0.54621%0.206SC..SBendtrans77.3-1.6-179.700000115.2L114 A115L114-G117 WeakPolarHBondContact O-CA 3.46Å; L114-G117 PolarHBondContact O-N 2.83Å; A115-G117 PolarHBondContact O-N 3.24Å
118K91.6Very high94.3Very high105 Ų10534.4 Ų34.446%0.45721%0.21SC..PPolyproline II helixtrans-81154.8176.1-61.1-178.3-178.6174.40111.2L114 N116L114-K118 WeakPolarHBondContact CB-O 3.27Å; L114-K118 PolarHBondContact N-O 3.45Å; N116-K118 PolarHBondContact O-N 3.05Å; N116-K118 WeakPolarHBondContact OD1-CB 3.31Å; N116-K118 PolarHBondContact OD1-N 2.95Å
119N94.8Very high94.2Very high69 Ų6934.9 Ų34.937%0.36921%0.213SC..BIsolated β-bridgetrans-69.7155.7170.1-63.7-15.3000110.6D109D109-N119 PolarHBondContact OD2-ND2 2.96Å
120V96.5Very high94.1Very high3 Ų335.5 Ų35.52%0.01822%0.217CC..PPolyproline II helixtrans-67.3148177.5-61.20000111.7A83 L108 L112 L114 T122A83-V120 WeakPolarHBondContact O-CG1 3.1Å; L108-V120 HydrophobicContact CD1-CG2 4.17Å; L108-V120 HydrophobicContact CD2-CG2 3.83Å; L108-V120 HydrophobicContact CG-CG2 4.1Å; L112-V120 HydrophobicContact CD2-CB 4.49Å; L112-V120 HydrophobicContact CD2-CG1 3.55Å; L112-V120 HydrophobicContact CD2-CG2 4.15Å; L112-V120 HydrophobicContact CG-CG1 3.84Å; L114-V120 HydrophobicContact CD2-CG1 3.85Å; L114-V120 HydrophobicContact CG-CG1 4Å; V120-T122 PolarHBondContact O-N 3.49Å; V120-T122 PolarHBondContact O-OG1 3.04Å
121A97.9Very high93.9Very high3 Ų337.2 Ų37.23%0.02522%0.216CC..EExtended strand (participates in β ladder)trans-60125.6176.200000109.7G85 A86 V153 L173 H176 I177G85-A121 CarbonylContact C-O 3.39Å; G85-A121 WeakPolarHBondContact CA-O 3.43Å; A86-A121 PolarHBondContact N-O 2.59Å; A121-V153 HydrophobicContact CB-CG1 4.27Å; A121-L173 HydrophobicContact CB-CD1 3.9Å; A121-L173 VanDerWaalsContact O-CD1 3.27Å; A121-L173 WeakPolarHBondContact O-CD1 3.45Å; A121-H176 HydrophobicContact CB-CB 3.9Å; A121-I177 HydrophobicContact CB-CG1 4.17Å
122T98.6Very high92.7Very high0 Ų035.3 Ų35.30%021%0.21CC..EExtended strand (participates in β ladder)trans-129.9126.4-174.3-53.90000110.7A86 I88 K105 L108 V120 F152 V153A86-T122 HydrophobicContact CB-CG2 4.18Å; A86-T122 VanDerWaalsContact O-CA 3.31Å; A86-T122 WeakPolarHBondContact O-CA 3.39Å; I88-T122 HydrophobicContact CD1-CG2 3.88Å; I88-T122 HydrophobicContact CG1-CG2 3.66Å; K105-T122 HydrophobicContact CD-CG2 4.11Å; L108-T122 HydrophobicContact CD2-CG2 4.4Å; V120-T122 PolarHBondContact O-N 3.49Å; V120-T122 PolarHBondContact O-OG1 3.04Å; T122-F152 HydrophobicContact CG2-CD1 3.67Å; T122-F152 HydrophobicContact CG2-CE1 3.61Å; T122-F152 CarbonylContact O-C 3.54Å; T122-F152 WeakPolarHBondContact O-CA 3.42Å; T122-V153 PolarHBondContact O-N 3.48Å
123V98.8Very high91.2Very high0 Ų044.6 Ų44.60%024%0.244CC..EExtended strand (participates in β ladder)trans-110.5132.8176.8173.70000110A86 F87 I88 L125 V153 G154 F156 A169 L173A86-V123 PolarHBondContact O-N 3.39Å; F87-V123 WeakPolarHBondContact CA-O 3.37Å; F87-V123 HydrophobicContact CD1-CB 3.84Å; F87-V123 HydrophobicContact CD1-CG1 4.17Å; F87-V123 HydrophobicContact CE1-CB 3.93Å; F87-V123 HydrophobicContact CE1-CG1 4.14Å; I88-V123 PolarHBondContact N-O 2.94Å; V123-L125 HydrophobicContact CG1-CD2 3.81Å; V123-V153 HydrophobicContact CG2-CG2 3.55Å; V123-G154 WeakPolarHBondContact CA-O 3.45Å; V123-F156 HydrophobicContact CG1-CD2 3.58Å; V123-F156 HydrophobicContact CG1-CE2 3.88Å; V123-A169 HydrophobicContact CG1-CB 4.36Å; V123-L173 HydrophobicContact CG2-CB 3.91Å; V123-L173 HydrophobicContact CG2-CD1 4.12Å
124L98.6Very high89.5Confident1 Ų149 Ų491%0.00526%0.259CS..EExtended strand (participates in β ladder)trans-89.4125.7178.218062.6000111I88 F90 F98 V101 F146 F152 G154 W155 F156I88-L124 HydrophobicContact CB-CD1 4.4Å; I88-L124 WeakPolarHBondContact O-CD1 3.43Å; F90-L124 HydrophobicContact CD1-CD1 3.74Å; F90-L124 HydrophobicContact CD1-CG 4.22Å; F90-L124 HydrophobicContact CE1-CD1 4.02Å; F90-L124 HydrophobicContact CE1-CD2 4.14Å; F90-L124 HydrophobicContact CE1-CG 3.99Å; F98-L124 HydrophobicContact CE2-CD2 4.39Å; V101-L124 HydrophobicContact CB-CD1 4.42Å; V101-L124 HydrophobicContact CG1-CD1 3.57Å; V101-L124 HydrophobicContact CG2-CD1 3.89Å; L124-F146 HydrophobicContact CD2-CD1 3.99Å; L124-F146 HydrophobicContact CD2-CE1 3.88Å; L124-F152 HydrophobicContact CB-CD1 3.8Å; L124-F152 HydrophobicContact CB-CE1 4Å; L124-F152 HydrophobicContact CB-CG 4.3Å; L124-F152 HydrophobicContact CD1-CE1 4.33Å; L124-F152 HydrophobicContact CD1-CZ 4.48Å; L124-G154 PolarHBondContact N-O 2.81Å; L124-W155 HydrophobicContact CB-CB 3.87Å; L124-W155 HydrophobicContact CD2-CB 4.37Å; L124-W155 HydrophobicContact CG-CB 4.36Å; L124-W155 CarbonylContact O-C 3.59Å; L124-W155 WeakPolarHBondContact O-CA 3.18Å; L124-W155 WeakPolarHBondContact O-CB 3.3Å; L124-F156 PolarHBondContact O-N 3.3Å
125L98.4Very high88Confident4 Ų452.2 Ų52.22%0.02128%0.279CS..EExtended strand (participates in β ladder)trans-109.2112.7179.2-53.9-171.2000110.8I26 F87 I88 V89 F90 V123 N127 F156 T158 A169I26-L125 HydrophobicContact CD1-CD1 3.94Å; I26-L125 HydrophobicContact CG2-CD1 4.45Å; F87-L125 HydrophobicContact CB-CD1 3.92Å; F87-L125 HydrophobicContact CB-CG 4.26Å; F87-L125 HydrophobicContact CD1-CD1 3.75Å; F87-L125 HydrophobicContact CD1-CD2 3.95Å; F87-L125 HydrophobicContact CD1-CG 3.89Å; F87-L125 HydrophobicContact CE1-CD1 4.39Å; F87-L125 HydrophobicContact CE1-CD2 4.29Å; F87-L125 HydrophobicContact CG-CD1 3.84Å; F87-L125 HydrophobicContact CG-CG 4.33Å; I88-L125 PolarHBondContact O-N 2.76Å; V89-L125 WeakPolarHBondContact CA-O 3.47Å; V89-L125 HydrophobicContact CB-CB 4.43Å; V89-L125 HydrophobicContact CG1-CB 4.21Å; V89-L125 HydrophobicContact CG2-CB 4.18Å; V89-L125 HydrophobicContact CG2-CD1 4.07Å; V89-L125 HydrophobicContact CG2-CG 4.42Å; F90-L125 WeakPolarHBondContact CD1-O 3.48Å; F90-L125 PolarHBondContact N-O 3.02Å; V123-L125 HydrophobicContact CG1-CD2 3.81Å; L125-N127 PolarHBondContact O-N 2.92Å; L125-F156 HydrophobicContact CD2-CB 4.31Å; L125-T158 HydrophobicContact CD2-CG2 4.08Å; L125-A169 HydrophobicContact CD2-CB 3.57Å
126A96.9Very high86.7Confident1 Ų148.3 Ų48.31%0.00825%0.245CC..EExtended strand (participates in β ladder)trans-87.681.9172.700000109.1F90 V92 L136 F156 Q157 T158F90-A126 HydrophobicContact CD1-CB 4.41Å; F90-A126 VanDerWaalsContact CE1-CA 3.46Å; F90-A126 HydrophobicContact CE1-CB 3.48Å; F90-A126 VanDerWaalsContact CE1-CB 3.48Å; F90-A126 HydrophobicContact CE2-CB 4.16Å; F90-A126 HydrophobicContact CZ-CB 3.33Å; V92-A126 HydrophobicContact CG1-CB 3.79Å; A126-L136 HydrophobicContact CB-CD1 3.71Å; A126-F156 PolarHBondContact N-O 3.08Å; A126-Q157 WeakPolarHBondContact O-CA 3.21Å; A126-T158 PolarHBondContact O-N 2.87Å
127N97.4Very high85.5Confident3 Ų350.4 Ų50.42%0.01626%0.259CS..EExtended strand (participates in β ladder)trans-85.1159.2-168.7-173.240.2000113.4V21 I26 V89 F90 V92 L125 T158 A160V21-N127 PolarHBondContact O-ND2 2.94Å; I26-N127 HydrophobicContact CD1-CB 4.03Å; V89-N127 HydrophobicContact CG1-CB 3.74Å; F90-N127 WeakPolarHBondContact O-CB 3.35Å; F90-N127 PolarHBondContact O-N 3.06Å; V92-N127 WeakPolarHBondContact CG1-O 3.21Å; V92-N127 WeakPolarHBondContact CG2-O 3.45Å; V92-N127 PolarHBondContact N-O 3.37Å; L125-N127 PolarHBondContact O-N 2.92Å; N127-T158 CarbonylContact C-O 3.6Å; N127-T158 VanDerWaalsContact CA-O 3.25Å; N127-T158 WeakPolarHBondContact CA-O 3.38Å; N127-T158 WeakPolarHBondContact CA-OG1 3.48Å; N127-T158 PolarHBondContact OD1-O 3.22Å; N127-A160 PolarHBondContact OD1-N 3.04Å
128K95.8Very high84.2Confident47 Ų4754.7 Ų54.720%0.20427%0.27CS..  trans68.433-173.9-45.6-172.1-166.3168.30112.9G20 D91 V92 D130 Q131 T158G20-K128 WeakPolarHBondContact O-CE 3.25Å; G20-K128 PolarHBondContact O-NZ 3.02Å; D91-K128 WeakPolarHBondContact OD1-CD 3.11Å; D91-K128 WeakPolarHBondContact OD2-CE 3.32Å; D91-K128 IonicContact OD2-NZ 2.6Å; D91-K128 PolarHBondContact OD2-NZ 2.62Å; V92-K128 HydrophobicContact CG2-CB 4.48Å; V92-K128 VanDerWaalsContact CG2-O 3.23Å; V92-K128 WeakPolarHBondContact CG2-O 3.31Å; K128-D130 WeakPolarHBondContact CA-OD1 3.47Å; K128-D130 PolarHBondContact O-N 3.46Å; K128-D130 VanDerWaalsContact O-N 3.09Å; K128-Q131 PolarHBondContact O-N 3.38Å; K128-T158 PolarHBondContact N-O 2.88Å
129C94.3Very high83.4Confident10 Ų1052.1 Ų52.17%0.06826%0.261CS..G310 helixtrans-59.7-20.1177.4700000113.3Q131 G132 R133 Q157 T158C129-Q131 PolarHBondContact O-N 3.41Å; C129-G132 PolarHBondContact O-N 2.71Å; C129-R133 PolarHBondContact O-N 3.16Å; C129-Q157 HydrophobicContact CB-CB 4Å; C129-T158 PolarHBondContact N-O 2.96Å; C129-T158 VanDerWaalsContact N-O 3.09Å; C129-T158 VanDerWaalsContact SG-C 3.5Å; C129-T158 PolarHBondContact SG-O 3.14Å
130D93.1Very high82.9Confident48 Ų4849.9 Ų49.926%0.25726%0.255SS..G310 helixtrans-60.1-22170.158.4-74.4000113.8K128 S159 K161 E162K128-D130 WeakPolarHBondContact CA-OD1 3.47Å; K128-D130 PolarHBondContact O-N 3.46Å; K128-D130 VanDerWaalsContact O-N 3.09Å; D130-S159 VanDerWaalsContact CG-OG 3.29Å; D130-S159 VanDerWaalsContact OD1-CB 3.31Å; D130-S159 WeakPolarHBondContact OD1-CB 3.47Å; D130-S159 PolarHBondContact OD1-OG 2.83Å; D130-K161 WeakPolarHBondContact OD2-CD 3.49Å; D130-E162 HydrophobicContact CB-CG 3.65Å
131Q89.8Confident82.5Confident117 Ų11755.9 Ų55.955%0.54729%0.285SS..G310 helixtrans-104.2-10-178.2-56176.715.800112.9T93 K128 C129T93-Q131 HydrophobicContact CG2-CB 3.6Å; K128-Q131 PolarHBondContact O-N 3.38Å; C129-Q131 PolarHBondContact O-N 3.41Å
132G68.4Low82.1Confident10 Ų1061.8 Ų61.810%0.10331%0.31CS..  trans-137.432-167.200000114C129 E134 V135C129-G132 PolarHBondContact O-N 2.71Å; G132-E134 PolarHBondContact O-N 3.07Å; G132-V135 PolarHBondContact O-N 2.91Å
133R62.7Low81.8Confident213 Ų21362.7 Ų62.780%0.80432%0.315SS*.Hα-helixtrans-55.1-24.7-172.1-152.4174.1-173166.52.2114.1C129 T137C129-R133 PolarHBondContact O-N 3.16Å; R133-T137 PolarHBondContact O-OG1 3.23Å
134E59.3Low81.6Confident174 Ų17466.3 Ų66.381%0.81333%0.334SS*.Hα-helixtrans-86.1-27.8178.4-65.3-175.1169.200114G132 L136G132-E134 PolarHBondContact O-N 3.07Å; E134-L136 PolarHBondContact O-N 3.01Å
135V57.8Low81.4Confident83 Ų8371 Ų7150%0.50336%0.356SS..Hα-helixtrans-73.3-27.4-168.4179.30000112.8G132 N139G132-V135 PolarHBondContact O-N 2.91Å; V135-N139 PolarHBondContact O-ND2 2.88Å
136L59.2Low81.3Confident16 Ų1672.1 Ų72.18%0.08436%0.361CS..Hα-helixtrans-111.4-20.3-174.2-67.3178.3000115.3V92 A126 E134 N138 N139 Q157V92-L136 HydrophobicContact CB-CD1 4.13Å; V92-L136 HydrophobicContact CG1-CD1 3.39Å; V92-L136 HydrophobicContact CG1-CG 4.35Å; A126-L136 HydrophobicContact CB-CD1 3.71Å; E134-L136 PolarHBondContact O-N 3.01Å; L136-N138 PolarHBondContact O-N 2.95Å; L136-N138 VanDerWaalsContact O-N 3.13Å; L136-N139 PolarHBondContact O-N 3.13Å; L136-Q157 HydrophobicContact CD1-CG 3.95Å
137T57.1Low81.3Confident98 Ų9872.3 Ų72.360%0.60136%0.362SS*.Hα-helixtrans-62.6-23.2-177.1-52.10000112.4R133R133-T137 PolarHBondContact O-OG1 3.23Å
138N61Low81.2Confident143 Ų14379.4 Ų79.477%0.76540%0.395SS*.THydrogen-bonded Turntrans-970.3177.2-68.8-18.2000114.7L136L136-N138 PolarHBondContact O-N 2.95Å; L136-N138 VanDerWaalsContact O-N 3.13Å
139N75.5Confident81.3Confident51 Ų5184.4 Ų84.427%0.27342%0.419SS..  trans-123.112.1-168.6-73-42.1000114.5V135 L136 I141 K142 M143V135-N139 PolarHBondContact O-ND2 2.88Å; L136-N139 PolarHBondContact O-N 3.13Å; N139-I141 PolarHBondContact O-N 2.58Å; N139-K142 WeakPolarHBondContact O-CB 3.37Å; N139-K142 PolarHBondContact O-N 3.25Å; N139-M143 PolarHBondContact O-N 3.35Å
140G83.7Confident81.4Confident23 Ų2386.1 Ų86.124%0.23743%0.428CS..Hα-helixtrans-52.5-48.5-177.200000113.7K142 M143 D144G140-K142 VanDerWaalsContact C-N 3.29Å; G140-K142 PolarHBondContact O-N 2.88Å; G140-M143 PolarHBondContact O-N 2.99Å; G140-D144 PolarHBondContact O-N 3.33Å
141I87.6Confident81.6Confident128 Ų12886 Ų8666%0.65644%0.437SS*.Hα-helixtrans-58.6-40.3178.4-61172.3000111.8N139 M143 D144 Q145N139-I141 PolarHBondContact O-N 2.58Å; I141-M143 VanDerWaalsContact C-N 3.33Å; I141-D144 PolarHBondContact O-N 2.81Å; I141-Q145 WeakPolarHBondContact O-CG 3.22Å; I141-Q145 PolarHBondContact O-N 2.7Å
142K90.4Very high82Confident127 Ų12781 Ų8155%0.55241%0.414SS*.Hα-helixtrans-68.7-34.1178.2-65.8-179.2-177.2166.60111.7N139 G140 F146N139-K142 WeakPolarHBondContact O-CB 3.37Å; N139-K142 PolarHBondContact O-N 3.25Å; G140-K142 VanDerWaalsContact C-N 3.29Å; G140-K142 PolarHBondContact O-N 2.88Å; K142-F146 VanDerWaalsContact O-CB 3.29Å; K142-F146 WeakPolarHBondContact O-CB 3.44Å; K142-F146 PolarHBondContact O-N 3.03Å
143M92.2Very high83.4Confident19 Ų1983 Ų839%0.09442%0.424CS..Hα-helixtrans-71.4-37.5175-69.6-59.184.800112.2F98 N139 G140 I141 F146 C147 W155F98-M143 HydrophobicContact CE1-CE 4.31Å; F98-M143 HydrophobicContact CE2-CE 4Å; F98-M143 HydrophobicContact CE2-SD 3.75Å; F98-M143 HydrophobicContact CZ-CE 3.5Å; F98-M143 HydrophobicContact CZ-SD 3.93Å; N139-M143 PolarHBondContact O-N 3.35Å; G140-M143 PolarHBondContact O-N 2.99Å; I141-M143 VanDerWaalsContact C-N 3.33Å; M143-F146 HydrophobicContact CE-CB 4.05Å; M143-F146 HydrophobicContact CE-CG 4.42Å; M143-F146 PolarHBondContact O-N 3.08Å; M143-C147 WeakPolarHBondContact O-CB 3.14Å; M143-C147 PolarHBondContact O-N 3.13Å; M143-C147 PolarHBondContact O-SG 3.37Å; M143-W155 HydrophobicContact CB-CD2 3.75Å; M143-W155 VanDerWaalsContact CB-CE2 3.43Å; M143-W155 HydrophobicContact CB-CE3 4.24Å; M143-W155 HydrophobicContact CB-CG 4.18Å; M143-W155 HydrophobicContact CB-CH2 4.22Å; M143-W155 HydrophobicContact CB-CZ2 3.72Å; M143-W155 HydrophobicContact CB-CZ3 4.44Å; M143-W155 HydrophobicContact CG-CD2 4.39Å; M143-W155 HydrophobicContact CG-CE3 4.41Å; M143-W155 HydrophobicContact CG-CH2 4.38Å; M143-W155 HydrophobicContact CG-CZ2 4.36Å; M143-W155 HydrophobicContact CG-CZ3 4.38Å
144D94Very high85Confident76 Ų7673.6 Ų73.641%0.40639%0.394SS..Hα-helixtrans-61-46.7172.9-64.6-31.4000110.9G140 I141 C147 Q148 W155G140-D144 PolarHBondContact O-N 3.33Å; I141-D144 PolarHBondContact O-N 2.81Å; D144-C147 PolarHBondContact O-N 3.31Å; D144-Q148 WeakPolarHBondContact O-CG 3.39Å; D144-Q148 PolarHBondContact O-N 2.91Å; D144-W155 PolarHBondContact OD1-NE1 2.89Å
145Q95.4Very high86.9Confident100 Ų10067.4 Ų67.447%0.46736%0.363SS..Hα-helixtrans-60.2-50.2175-73.7174-18.300111.8I141 C147 Q148 E149I141-Q145 WeakPolarHBondContact O-CG 3.22Å; I141-Q145 PolarHBondContact O-N 2.7Å; Q145-C147 VanDerWaalsContact C-N 3.26Å; Q145-C147 PolarHBondContact O-N 3.34Å; Q145-Q148 PolarHBondContact O-N 3.2Å; Q145-Q148 VanDerWaalsContact O-N 3.17Å; Q145-E149 WeakPolarHBondContact O-CB 3.5Å; Q145-E149 WeakPolarHBondContact O-CG 3.49Å; Q145-E149 PolarHBondContact O-N 3.27Å
146F95.8Very high88.7Confident27 Ų2765.6 Ų65.612%0.11835%0.348CS..Hα-helixtrans-56.4-41.9177.4177.1-91.4000112F98 V101 T102 L124 K142 M143 N150 F152F98-F146 HydrophobicContact CE1-CE2 4.41Å; F98-F146 HydrophobicContact CE2-CD1 4.19Å; F98-F146 AromaticContact CE2-CE1 3.99Å; F98-F146 HydrophobicContact CE2-CE1 3.99Å; F98-F146 HydrophobicContact CE2-CE2 4.5Å; F98-F146 HydrophobicContact CE2-CZ 4.14Å; F98-F146 HydrophobicContact CZ-CD1 4.09Å; F98-F146 AromaticContact CZ-CD2 3.88Å; F98-F146 HydrophobicContact CZ-CD2 3.88Å; F98-F146 HydrophobicContact CZ-CE1 4.07Å; F98-F146 AromaticContact CZ-CE2 3.84Å; F98-F146 HydrophobicContact CZ-CE2 3.84Å; F98-F146 AromaticContact CZ-CG 4Å; F98-F146 HydrophobicContact CZ-CG 4Å; F98-F146 AromaticContact CZ-CZ 3.94Å; F98-F146 HydrophobicContact CZ-CZ 3.94Å; V101-F146 HydrophobicContact CB-CZ 4.35Å; V101-F146 HydrophobicContact CG1-CE1 3.87Å; V101-F146 HydrophobicContact CG1-CZ 3.94Å; T102-F146 HydrophobicContact CG2-CE2 3.69Å; T102-F146 HydrophobicContact CG2-CZ 3.67Å; L124-F146 HydrophobicContact CD2-CD1 3.99Å; L124-F146 HydrophobicContact CD2-CE1 3.88Å; K142-F146 VanDerWaalsContact O-CB 3.29Å; K142-F146 WeakPolarHBondContact O-CB 3.44Å; K142-F146 PolarHBondContact O-N 3.03Å; M143-F146 HydrophobicContact CE-CB 4.05Å; M143-F146 HydrophobicContact CE-CG 4.42Å; M143-F146 PolarHBondContact O-N 3.08Å; F146-N150 WeakPolarHBondContact O-CB 3.2Å; F146-N150 PolarHBondContact O-N 2.95Å; F146-N150 VanDerWaalsContact O-N 3.1Å; F146-N150 PolarHBondContact O-ND2 2.9Å; F146-F152 HydrophobicContact CE1-CD2 4.42Å; F146-F152 AromaticContact CE1-CE2 3.88Å; F146-F152 HydrophobicContact CE1-CE2 3.88Å
147C96.8Very high90.5Very high5 Ų567.3 Ų67.33%0.03436%0.356CS..Hα-helixtrans-64.6-45178.4-73.30000112M143 D144 Q145 N150 G151 F152M143-C147 WeakPolarHBondContact O-CB 3.14Å; M143-C147 PolarHBondContact O-N 3.13Å; M143-C147 PolarHBondContact O-SG 3.37Å; D144-C147 PolarHBondContact O-N 3.31Å; Q145-C147 VanDerWaalsContact C-N 3.26Å; Q145-C147 PolarHBondContact O-N 3.34Å; C147-N150 PolarHBondContact O-N 2.81Å; C147-G151 PolarHBondContact O-N 3.49Å; C147-F152 HydrophobicContact CB-CB 3.79Å; C147-F152 PolarHBondContact O-N 2.97Å
148Q95.8Very high92.4Very high152 Ų15262.6 Ų62.671%0.7133%0.327SS*.Hα-helixtrans-62.4-47.4177.6-70.517217.700111.6D144 Q145 N150 G151D144-Q148 WeakPolarHBondContact O-CG 3.39Å; D144-Q148 PolarHBondContact O-N 2.91Å; Q145-Q148 PolarHBondContact O-N 3.2Å; Q145-Q148 VanDerWaalsContact O-N 3.17Å; Q148-N150 VanDerWaalsContact C-N 3.28Å; Q148-N150 PolarHBondContact O-N 2.94Å; Q148-G151 PolarHBondContact O-N 3.28Å
149E96.8Very high94.1Very high153 Ų15355.8 Ų55.872%0.71529%0.291SS*.Hα-helixtrans-63.2-33.1-178.9-72.1173.2178.700112.8Q145Q145-E149 WeakPolarHBondContact O-CB 3.5Å; Q145-E149 WeakPolarHBondContact O-CG 3.49Å; Q145-E149 PolarHBondContact O-N 3.27Å
150N96.9Very high95.2Very high45 Ų4553.5 Ų53.524%0.24128%0.279CS..THydrogen-bonded Turntrans-103.29.2-176.5-65.4-87.8000113.5K105 F146 C147 Q148 F152K105-N150 VanDerWaalsContact CE-O 3.29Å; K105-N150 WeakPolarHBondContact CE-O 3.39Å; F146-N150 WeakPolarHBondContact O-CB 3.2Å; F146-N150 PolarHBondContact O-N 2.95Å; F146-N150 VanDerWaalsContact O-N 3.1Å; F146-N150 PolarHBondContact O-ND2 2.9Å; C147-N150 PolarHBondContact O-N 2.81Å; Q148-N150 VanDerWaalsContact C-N 3.28Å; Q148-N150 PolarHBondContact O-N 2.94Å; N150-F152 HydrophobicContact CB-CD2 3.73Å; N150-F152 HydrophobicContact CB-CE2 3.57Å
151G96.5Very high95.8Very high45 Ų4556.9 Ų56.946%0.46429%0.287SS..THydrogen-bonded Turntrans68.235.617500000114.6K105 C147 Q148K105-G151 WeakPolarHBondContact CE-O 3.47Å; C147-G151 PolarHBondContact O-N 3.49Å; Q148-G151 PolarHBondContact O-N 3.28Å
152F98.3Very high96.3Very high13 Ų1355.7 Ų55.76%0.05728%0.279CS..  trans-86.5140.8166.7-66-89.5000110.1I88 V101 K105 T122 L124 F146 C147 N150 G154I88-F152 HydrophobicContact CB-CE1 4.11Å; I88-F152 HydrophobicContact CD1-CE1 3.8Å; I88-F152 HydrophobicContact CD1-CZ 3.98Å; I88-F152 HydrophobicContact CG1-CE1 4.04Å; V101-F152 HydrophobicContact CG1-CE1 4.39Å; V101-F152 HydrophobicContact CG1-CE2 4.09Å; V101-F152 HydrophobicContact CG1-CZ 3.52Å; K105-F152 HydrophobicContact CB-CE2 4.46Å; K105-F152 HydrophobicContact CB-CZ 4.03Å; K105-F152 HydrophobicContact CD-CE1 4.12Å; K105-F152 HydrophobicContact CD-CE2 4.38Å; K105-F152 HydrophobicContact CD-CZ 3.94Å; K105-F152 HydrophobicContact CG-CE2 4.2Å; K105-F152 HydrophobicContact CG-CZ 4.04Å; T122-F152 HydrophobicContact CG2-CD1 3.67Å; T122-F152 HydrophobicContact CG2-CE1 3.61Å; T122-F152 CarbonylContact O-C 3.54Å; T122-F152 WeakPolarHBondContact O-CA 3.42Å; L124-F152 HydrophobicContact CB-CD1 3.8Å; L124-F152 HydrophobicContact CB-CE1 4Å; L124-F152 HydrophobicContact CB-CG 4.3Å; L124-F152 HydrophobicContact CD1-CE1 4.33Å; L124-F152 HydrophobicContact CD1-CZ 4.48Å; F146-F152 HydrophobicContact CE1-CD2 4.42Å; F146-F152 AromaticContact CE1-CE2 3.88Å; F146-F152 HydrophobicContact CE1-CE2 3.88Å; C147-F152 HydrophobicContact CB-CB 3.79Å; C147-F152 PolarHBondContact O-N 2.97Å; N150-F152 HydrophobicContact CB-CD2 3.73Å; N150-F152 HydrophobicContact CB-CE2 3.57Å; F152-G154 VanDerWaalsContact C-N 3.27Å; F152-G154 PolarHBondContact O-N 2.9Å
153V98Very high96.6Very high51 Ų5152.6 Ų52.631%0.30927%0.268SS..SBendtrans-80.1-12.4177.5-550000112.7A121 T122 V123 H176A121-V153 HydrophobicContact CB-CG1 4.27Å; T122-V153 PolarHBondContact O-N 3.48Å; V123-V153 HydrophobicContact CG2-CG2 3.55Å; V153-H176 HydrophobicContact CG1-CB 4.46Å; V153-H176 HydrophobicContact CG2-CB 4.34Å
154G97.4Very high96.9Very high16 Ų1654.6 Ų54.617%0.16528%0.279CS..EExtended strand (participates in β ladder)trans170.7172.9175.800000112.2V123 L124 F152V123-G154 WeakPolarHBondContact CA-O 3.45Å; L124-G154 PolarHBondContact N-O 2.81Å; F152-G154 VanDerWaalsContact C-N 3.27Å; F152-G154 PolarHBondContact O-N 2.9Å
155W97.9Very high97Very high44 Ų4453.7 Ų53.717%0.16727%0.274CS..EExtended strand (participates in β ladder)trans-137.4153.4174.869.6-79000111.9L124 M143 D144 Q157L124-W155 HydrophobicContact CB-CB 3.87Å; L124-W155 HydrophobicContact CD2-CB 4.37Å; L124-W155 HydrophobicContact CG-CB 4.36Å; L124-W155 CarbonylContact O-C 3.59Å; L124-W155 WeakPolarHBondContact O-CA 3.18Å; L124-W155 WeakPolarHBondContact O-CB 3.3Å; M143-W155 HydrophobicContact CB-CD2 3.75Å; M143-W155 VanDerWaalsContact CB-CE2 3.43Å; M143-W155 HydrophobicContact CB-CE3 4.24Å; M143-W155 HydrophobicContact CB-CG 4.18Å; M143-W155 HydrophobicContact CB-CH2 4.22Å; M143-W155 HydrophobicContact CB-CZ2 3.72Å; M143-W155 HydrophobicContact CB-CZ3 4.44Å; M143-W155 HydrophobicContact CG-CD2 4.39Å; M143-W155 HydrophobicContact CG-CE3 4.41Å; M143-W155 HydrophobicContact CG-CH2 4.38Å; M143-W155 HydrophobicContact CG-CZ2 4.36Å; M143-W155 HydrophobicContact CG-CZ3 4.38Å; D144-W155 PolarHBondContact OD1-NE1 2.89Å; W155-Q157 HydrophobicContact CE3-CG 4.49Å; W155-Q157 HydrophobicContact CH2-CG 4.31Å; W155-Q157 HydrophobicContact CZ3-CG 3.61Å
156F97.2Very high97.2Very high46 Ų4649.2 Ų49.220%0.20225%0.253CS..EExtended strand (participates in β ladder)trans-139.3133.9-179.7-65.3-95.3000110.8V123 L124 L125 A126 T158 N165 E168 A169 C172V123-F156 HydrophobicContact CG1-CD2 3.58Å; V123-F156 HydrophobicContact CG1-CE2 3.88Å; L124-F156 PolarHBondContact O-N 3.3Å; L125-F156 HydrophobicContact CD2-CB 4.31Å; A126-F156 PolarHBondContact N-O 3.08Å; F156-T158 HydrophobicContact CB-CG2 4.05Å; F156-T158 PolarHBondContact O-N 3.42Å; F156-N165 HydrophobicContact CB-CB 4.32Å; F156-N165 HydrophobicContact CD1-CB 4.35Å; F156-E168 HydrophobicContact CD1-CB 4.27Å; F156-E168 HydrophobicContact CE1-CB 4.04Å; F156-A169 HydrophobicContact CB-CB 3.98Å; F156-A169 HydrophobicContact CD1-CB 4.36Å; F156-A169 HydrophobicContact CD2-CB 3.58Å; F156-A169 HydrophobicContact CE2-CB 4.18Å; F156-A169 HydrophobicContact CG-CB 3.7Å; F156-C172 HydrophobicContact CE2-CB 3.64Å; F156-C172 HydrophobicContact CZ-CB 3.54Å
157Q95.8Very high97.3Very high51 Ų5150.5 Ų50.524%0.23826%0.261CS..EExtended strand (participates in β ladder)trans-71.1117.9162.9-64.8-173.5-4.700108.7A126 C129 L136 W155 N165A126-Q157 WeakPolarHBondContact O-CA 3.21Å; C129-Q157 HydrophobicContact CB-CB 4Å; L136-Q157 HydrophobicContact CD1-CG 3.95Å; W155-Q157 HydrophobicContact CE3-CG 4.49Å; W155-Q157 HydrophobicContact CH2-CG 4.31Å; W155-Q157 HydrophobicContact CZ3-CG 3.61Å; Q157-N165 WeakPolarHBondContact O-CB 3.49Å; Q157-N165 PolarHBondContact O-ND2 3.09Å
158T97.4Very high97.4Very high0 Ų054.8 Ų54.80%028%0.28CS..EExtended strand (participates in β ladder)trans-120.4151.8-176.453.60000112.1L125 A126 N127 K128 C129 F156 I164 N165 I166L125-T158 HydrophobicContact CD2-CG2 4.08Å; A126-T158 PolarHBondContact O-N 2.87Å; N127-T158 CarbonylContact C-O 3.6Å; N127-T158 VanDerWaalsContact CA-O 3.25Å; N127-T158 WeakPolarHBondContact CA-O 3.38Å; N127-T158 WeakPolarHBondContact CA-OG1 3.48Å; N127-T158 PolarHBondContact OD1-O 3.22Å; K128-T158 PolarHBondContact N-O 2.88Å; C129-T158 PolarHBondContact N-O 2.96Å; C129-T158 VanDerWaalsContact N-O 3.09Å; C129-T158 VanDerWaalsContact SG-C 3.5Å; C129-T158 PolarHBondContact SG-O 3.14Å; F156-T158 HydrophobicContact CB-CG2 4.05Å; F156-T158 PolarHBondContact O-N 3.42Å; T158-I164 VanDerWaalsContact CA-O 3.25Å; T158-I164 WeakPolarHBondContact CA-O 3.29Å; T158-N165 HydrophobicContact CG2-CB 4.24Å; T158-I166 HydrophobicContact CG2-CG1 4.43Å
159S97.6Very high97.5Very high0 Ų047.6 Ų47.60%025%0.247CC..BIsolated β-bridgetrans-135.5111.3166.1178.80000109.5D130 K161 E162 N163 I164D130-S159 VanDerWaalsContact CG-OG 3.29Å; D130-S159 VanDerWaalsContact OD1-CB 3.31Å; D130-S159 WeakPolarHBondContact OD1-CB 3.47Å; D130-S159 PolarHBondContact OD1-OG 2.83Å; S159-K161 PolarHBondContact O-N 2.8Å; S159-K161 PolarHBondContact OG-N 3.24Å; S159-E162 PolarHBondContact OG-N 3.33Å; S159-N163 CarbonylContact O-C 3.49Å; S159-N163 WeakPolarHBondContact O-CA 3.14Å; S159-N163 PolarHBondContact O-N 2.81Å; S159-I164 PolarHBondContact N-O 3.02Å; S159-I164 VanDerWaalsContact N-O 3.13Å; S159-I164 PolarHBondContact O-N 3.38Å
160A97.8Very high97.6Very high3 Ų340.4 Ų40.43%0.02521%0.214CC..THydrogen-bonded Turntrans-60.4-30.6167.600000112.4I26 R29 F35 N127I26-A160 HydrophobicContact CG1-CB 4.02Å; R29-A160 HydrophobicContact CB-CB 4.49Å; R29-A160 PolarHBondContact NE-O 3.36Å; F35-A160 HydrophobicContact CD2-CB 4.19Å; F35-A160 HydrophobicContact CE2-CB 4.35Å; N127-A160 PolarHBondContact OD1-N 3.04Å
161K96.9Very high97.6Very high94 Ų9441.5 Ų41.541%0.40922%0.22SC..THydrogen-bonded Turntrans-70.8-55.5-179-175.5-170.8173.6-152.10110.7R29 F35 D130 S159R29-K161 PolarHBondContact NH2-O 2.81Å; F35-K161 HydrophobicContact CD1-CB 4.43Å; F35-K161 HydrophobicContact CD1-CG 4.15Å; F35-K161 HydrophobicContact CD2-CB 4.31Å; F35-K161 HydrophobicContact CE1-CB 4.11Å; F35-K161 HydrophobicContact CE1-CG 3.81Å; F35-K161 HydrophobicContact CE2-CB 3.97Å; F35-K161 HydrophobicContact CZ-CB 3.87Å; F35-K161 HydrophobicContact CZ-CG 4.04Å; D130-K161 WeakPolarHBondContact OD2-CD 3.49Å; S159-K161 PolarHBondContact O-N 2.8Å; S159-K161 PolarHBondContact OG-N 3.24Å
162E96.7Very high97.7Very high102 Ų10240.6 Ų40.648%0.47721%0.206SC..THydrogen-bonded Turntrans-92.63.5-173.9-54.7-58151.400113.3D130 S159 I164D130-E162 HydrophobicContact CB-CG 3.65Å; S159-E162 PolarHBondContact OG-N 3.33Å; E162-I164 HydrophobicContact CB-CD1 3.75Å; E162-I164 HydrophobicContact CB-CG1 3.88Å
163N97.6Very high97.7Very high63 Ų6340.1 Ų40.134%0.33720%0.204SC..THydrogen-bonded Turntrans55.449.8-176.5-164.453000113.8R29 S159R29-N163 VanDerWaalsContact CD-OD1 3.26Å; R29-N163 WeakPolarHBondContact CD-OD1 3.43Å; R29-N163 HydrophobicContact CG-CB 4.28Å; R29-N163 WeakPolarHBondContact CG-OD1 3.41Å; S159-N163 CarbonylContact O-C 3.49Å; S159-N163 WeakPolarHBondContact O-CA 3.14Å; S159-N163 PolarHBondContact O-N 2.81Å
164I97.6Very high97.7Very high61 Ų6137.7 Ų37.731%0.31319%0.19SC..BIsolated β-bridgetrans-98.7127.5-177.8-60.9171.4000110T158 S159 E162 I166T158-I164 VanDerWaalsContact CA-O 3.25Å; T158-I164 WeakPolarHBondContact CA-O 3.29Å; S159-I164 PolarHBondContact N-O 3.02Å; S159-I164 VanDerWaalsContact N-O 3.13Å; S159-I164 PolarHBondContact O-N 3.38Å; E162-I164 HydrophobicContact CB-CD1 3.75Å; E162-I164 HydrophobicContact CB-CG1 3.88Å; I164-I166 PolarHBondContact O-N 3.3Å; I164-I166 VanDerWaalsContact O-N 3.08Å
165N97.9Very high97.7Very high56 Ų5643.6 Ų43.630%0.29921%0.21SC..SBendtrans56.515.6170.6-61.8-32.8000117.2F156 Q157 T158 E168 A169F156-N165 HydrophobicContact CB-CB 4.32Å; F156-N165 HydrophobicContact CD1-CB 4.35Å; Q157-N165 WeakPolarHBondContact O-CB 3.49Å; Q157-N165 PolarHBondContact O-ND2 3.09Å; T158-N165 HydrophobicContact CG2-CB 4.24Å; N165-E168 VanDerWaalsContact C-OE2 3.3Å; N165-E168 WeakPolarHBondContact CA-OE2 3.32Å; N165-A169 VanDerWaalsContact O-CB 3.29Å; N165-A169 WeakPolarHBondContact O-CB 3.23Å; N165-A169 PolarHBondContact O-N 2.93Å
166I98.4Very high97.7Very high7 Ų744.5 Ų44.54%0.03622%0.217CC..Hα-helixtrans-72.9-46-177.9-68.5173.3000110.6I26 R29 Y30 T158 I164 A170I26-I166 HydrophobicContact CG2-CD1 4.36Å; I26-I166 HydrophobicContact CG2-CG1 4.39Å; I26-I166 HydrophobicContact CG2-CG2 4.13Å; R29-I166 HydrophobicContact CB-CD1 4.04Å; R29-I166 HydrophobicContact CG-CD1 3.59Å; Y30-I166 HydrophobicContact CD2-CG2 3.76Å; Y30-I166 HydrophobicContact CG-CG2 3.86Å; T158-I166 HydrophobicContact CG2-CG1 4.43Å; I164-I166 PolarHBondContact O-N 3.3Å; I164-I166 VanDerWaalsContact O-N 3.08Å; I166-A170 PolarHBondContact O-N 2.83Å; I166-A170 VanDerWaalsContact O-N 3.1Å
167D97.9Very high97.7Very high53 Ų5342.4 Ų42.428%0.28321%0.208SC..Hα-helixtrans-65.2-41.2177.1-66.5-82.1000110.9Y30 A170 N171Y30-D167 VanDerWaalsContact CE2-OD1 3.23Å; Y30-D167 WeakPolarHBondContact CE2-OD1 3.39Å; D167-A170 PolarHBondContact O-N 2.88Å; D167-N171 WeakPolarHBondContact O-CB 3.47Å; D167-N171 PolarHBondContact O-N 3.49Å; D167-N171 PolarHBondContact O-ND2 3.09Å
168E98.4Very high97.6Very high95 Ų9541 Ų4144%0.44420%0.201SC..Hα-helixtrans-62.2-44.8178-67.382.3170.100111.8F156 N165 A170 N171 C172F156-E168 HydrophobicContact CD1-CB 4.27Å; F156-E168 HydrophobicContact CE1-CB 4.04Å; N165-E168 VanDerWaalsContact C-OE2 3.3Å; N165-E168 WeakPolarHBondContact CA-OE2 3.32Å; E168-A170 VanDerWaalsContact C-N 3.33Å; E168-A170 PolarHBondContact O-N 3.37Å; E168-N171 PolarHBondContact O-N 3.02Å; E168-C172 WeakPolarHBondContact O-CB 3.5Å; E168-C172 PolarHBondContact O-N 3.09Å
169A98.6Very high97.4Very high1 Ų143.1 Ų43.11%0.00822%0.219CC..Hα-helixtrans-63.2-40.4175.400000112.1F87 V123 L125 F156 N165 C172 L173F87-A169 HydrophobicContact CE1-CB 4.27Å; V123-A169 HydrophobicContact CG1-CB 4.36Å; L125-A169 HydrophobicContact CD2-CB 3.57Å; F156-A169 HydrophobicContact CB-CB 3.98Å; F156-A169 HydrophobicContact CD1-CB 4.36Å; F156-A169 HydrophobicContact CD2-CB 3.58Å; F156-A169 HydrophobicContact CE2-CB 4.18Å; F156-A169 HydrophobicContact CG-CB 3.7Å; N165-A169 VanDerWaalsContact O-CB 3.29Å; N165-A169 WeakPolarHBondContact O-CB 3.23Å; N165-A169 PolarHBondContact O-N 2.93Å; A169-C172 PolarHBondContact O-N 3.17Å; A169-L173 PolarHBondContact O-N 2.94Å
170A98.3Very high97.1Very high2 Ų244.7 Ų44.72%0.01723%0.227CC..Hα-helixtrans-66.6-43.817600000113Y30 F87 I166 D167 E168 C172 L173 V174Y30-A170 HydrophobicContact CE1-CB 3.95Å; Y30-A170 HydrophobicContact CE2-CB 4.14Å; Y30-A170 WeakPolarHBondContact OH-CB 3.25Å; F87-A170 HydrophobicContact CZ-CB 4.2Å; I166-A170 PolarHBondContact O-N 2.83Å; I166-A170 VanDerWaalsContact O-N 3.1Å; D167-A170 PolarHBondContact O-N 2.88Å; E168-A170 VanDerWaalsContact C-N 3.33Å; E168-A170 PolarHBondContact O-N 3.37Å; A170-C172 VanDerWaalsContact C-N 3.3Å; A170-C172 PolarHBondContact O-N 2.87Å; A170-L173 PolarHBondContact O-N 3.45Å; A170-V174 VanDerWaalsContact O-CG2 3.31Å; A170-V174 WeakPolarHBondContact O-CG2 3.49Å; A170-V174 PolarHBondContact O-N 2.63Å
171N98.1Very high96.8Very high68 Ų6846.7 Ų46.736%0.36424%0.236SC..Hα-helixtrans-62-39.8175.6-68.8-24.4000111.5W54 D167 E168 V174 K175W54-N171 HydrophobicContact CH2-CB 4.49Å; W54-N171 WeakPolarHBondContact CH2-O 3.35Å; W54-N171 HydrophobicContact CZ3-CB 4.07Å; D167-N171 WeakPolarHBondContact O-CB 3.47Å; D167-N171 PolarHBondContact O-N 3.49Å; D167-N171 PolarHBondContact O-ND2 3.09Å; E168-N171 PolarHBondContact O-N 3.02Å; N171-V174 PolarHBondContact O-N 2.97Å; N171-K175 VanDerWaalsContact O-CB 3.32Å; N171-K175 WeakPolarHBondContact O-CB 3.44Å; N171-K175 PolarHBondContact O-N 2.95Å
172C98.4Very high96.4Very high26 Ų2645.2 Ų45.218%0.17623%0.233CC..Hα-helixtrans-60.9-46.2174.3-177.50000111.9F156 E168 A169 A170 H176F156-C172 HydrophobicContact CE2-CB 3.64Å; F156-C172 HydrophobicContact CZ-CB 3.54Å; E168-C172 WeakPolarHBondContact O-CB 3.5Å; E168-C172 PolarHBondContact O-N 3.09Å; A169-C172 PolarHBondContact O-N 3.17Å; A170-C172 VanDerWaalsContact C-N 3.3Å; A170-C172 PolarHBondContact O-N 2.87Å; C172-H176 PolarHBondContact O-N 3.17Å; C172-H176 PolarHBondContact O-ND1 3.17Å
173L98.5Very high96Very high3 Ų344.2 Ų44.22%0.01623%0.231CC..Hα-helixtrans-62.6-49.5177.8-179.260.7000111.5I13 F87 A121 V123 A169 A170 K175 H176 I177I13-L173 HydrophobicContact CD1-CD2 4.07Å; I13-L173 HydrophobicContact CG2-CD2 3.62Å; F87-L173 HydrophobicContact CD1-CD2 4.2Å; F87-L173 HydrophobicContact CD2-CD2 4.25Å; F87-L173 HydrophobicContact CE1-CB 4.06Å; F87-L173 HydrophobicContact CE1-CD2 3.74Å; F87-L173 HydrophobicContact CE2-CD2 3.81Å; F87-L173 HydrophobicContact CG-CD2 4.44Å; F87-L173 HydrophobicContact CZ-CB 4.12Å; F87-L173 HydrophobicContact CZ-CD2 3.54Å; F87-L173 HydrophobicContact CZ-CG 4.49Å; A121-L173 HydrophobicContact CB-CD1 3.9Å; A121-L173 VanDerWaalsContact O-CD1 3.27Å; A121-L173 WeakPolarHBondContact O-CD1 3.45Å; V123-L173 HydrophobicContact CG2-CB 3.91Å; V123-L173 HydrophobicContact CG2-CD1 4.12Å; A169-L173 PolarHBondContact O-N 2.94Å; A170-L173 PolarHBondContact O-N 3.45Å; L173-K175 VanDerWaalsContact C-N 3.32Å; L173-K175 PolarHBondContact O-N 2.95Å; L173-H176 PolarHBondContact O-N 2.88Å; L173-H176 VanDerWaalsContact O-N 3.12Å; L173-I177 HydrophobicContact CD1-CD1 4.13Å; L173-I177 HydrophobicContact CD1-CG1 4.32Å; L173-I177 HydrophobicContact CD2-CD1 4.48Å; L173-I177 HydrophobicContact CG-CD1 3.87Å; L173-I177 HydrophobicContact CG-CG1 4.45Å; L173-I177 WeakPolarHBondContact O-CG1 3.37Å; L173-I177 PolarHBondContact O-N 2.88Å
174V97.8Very high95.3Very high1 Ų143 Ų431%0.00622%0.223CC..Hα-helixtrans-58.6-43.9-179.9170.80000111.4L52 W54 V59 L61 A170 N171 H176 I177 I178L52-V174 HydrophobicContact CD1-CG2 4.24Å; W54-V174 HydrophobicContact CD2-CG1 4.07Å; W54-V174 HydrophobicContact CE3-CB 4.45Å; W54-V174 HydrophobicContact CE3-CG1 3.76Å; W54-V174 HydrophobicContact CH2-CG1 4.39Å; W54-V174 HydrophobicContact CZ3-CB 4.19Å; W54-V174 HydrophobicContact CZ3-CG1 3.94Å; V59-V174 HydrophobicContact CG1-CG1 4.24Å; L61-V174 HydrophobicContact CD1-CG2 3.94Å; L61-V174 HydrophobicContact CD2-CG2 3.8Å; L61-V174 HydrophobicContact CG-CG2 4.43Å; A170-V174 VanDerWaalsContact O-CG2 3.31Å; A170-V174 WeakPolarHBondContact O-CG2 3.49Å; A170-V174 PolarHBondContact O-N 2.63Å; N171-V174 PolarHBondContact O-N 2.97Å; V174-H176 VanDerWaalsContact C-N 3.29Å; V174-H176 PolarHBondContact O-N 2.76Å; V174-I177 PolarHBondContact O-N 2.91Å; V174-I178 HydrophobicContact CG1-CD1 3.65Å; V174-I178 HydrophobicContact CG1-CG1 4.31Å; V174-I178 WeakPolarHBondContact O-CG1 3.19Å; V174-I178 PolarHBondContact O-N 2.71Å
175K97.3Very high94.5Very high139 Ų13944.3 Ų44.360%0.60423%0.231SC*.Hα-helixtrans-54.6-44.7175.7-177.7-178.6177-177.30112.3W54 N171 L173 A179W54-K175 HydrophobicContact CH2-CB 3.97Å; W54-K175 HydrophobicContact CZ2-CB 4.08Å; N171-K175 VanDerWaalsContact O-CB 3.32Å; N171-K175 WeakPolarHBondContact O-CB 3.44Å; N171-K175 PolarHBondContact O-N 2.95Å; L173-K175 VanDerWaalsContact C-N 3.32Å; L173-K175 PolarHBondContact O-N 2.95Å; K175-A179 WeakPolarHBondContact O-CB 3.44Å; K175-A179 PolarHBondContact O-N 3.11Å; K175-A179 VanDerWaalsContact O-N 3.09Å
176H97.3Very high93.5Very high64 Ų6448.5 Ų48.530%0.29625%0.249SC..Hα-helixtrans-73.3-34.2179.9-72.590000112.7A121 V153 C172 L173 V174 N180A121-H176 HydrophobicContact CB-CB 3.9Å; V153-H176 HydrophobicContact CG1-CB 4.46Å; V153-H176 HydrophobicContact CG2-CB 4.34Å; C172-H176 PolarHBondContact O-N 3.17Å; C172-H176 PolarHBondContact O-ND1 3.17Å; L173-H176 PolarHBondContact O-N 2.88Å; L173-H176 VanDerWaalsContact O-N 3.12Å; V174-H176 VanDerWaalsContact C-N 3.29Å; V174-H176 PolarHBondContact O-N 2.76Å; H176-N180 WeakPolarHBondContact O-CB 3.31Å; H176-N180 VanDerWaalsContact O-CG 3.26Å; H176-N180 PolarHBondContact O-N 3.15Å; H176-N180 PolarHBondContact O-ND2 3.18Å
177I96.4Very high91.9Very high2 Ų252.5 Ų52.51%0.0128%0.277CS..Hα-helixtrans-64.1-49.2174.9-67.2172.6000110.5Y11 I13 M84 A121 L173 V174 A179 N180 E181Y11-I177 HydrophobicContact CD1-CG2 3.71Å; Y11-I177 HydrophobicContact CD2-CG2 3.95Å; Y11-I177 HydrophobicContact CE1-CG2 3.69Å; Y11-I177 HydrophobicContact CE2-CG2 3.92Å; Y11-I177 HydrophobicContact CG-CG2 3.85Å; I13-I177 HydrophobicContact CD1-CD1 3.32Å; M84-I177 HydrophobicContact CB-CD1 4.33Å; M84-I177 HydrophobicContact CB-CG2 3.95Å; M84-I177 HydrophobicContact CE-CG2 4.32Å; A121-I177 HydrophobicContact CB-CG1 4.17Å; L173-I177 HydrophobicContact CD1-CD1 4.13Å; L173-I177 HydrophobicContact CD1-CG1 4.32Å; L173-I177 HydrophobicContact CD2-CD1 4.48Å; L173-I177 HydrophobicContact CG-CD1 3.87Å; L173-I177 HydrophobicContact CG-CG1 4.45Å; L173-I177 WeakPolarHBondContact O-CG1 3.37Å; L173-I177 PolarHBondContact O-N 2.88Å; V174-I177 PolarHBondContact O-N 2.91Å; I177-A179 VanDerWaalsContact C-N 3.31Å; I177-A179 PolarHBondContact O-N 3.44Å; I177-N180 PolarHBondContact O-N 2.94Å; I177-E181 WeakPolarHBondContact O-CB 3.49Å; I177-E181 PolarHBondContact O-N 3.45Å
178I94.8Very high90Very high20 Ų2057 Ų5710%0.10330%0.296CS..Hα-helixtrans-61.2-42178.6-69.4169.6000110.6Y11 W54 V59 V174 E181 N182Y11-I178 HydrophobicContact CE2-CG1 3.93Å; Y11-I178 VanDerWaalsContact OH-CG1 3.31Å; Y11-I178 WeakPolarHBondContact OH-CG1 3.35Å; W54-I178 HydrophobicContact CD2-CD1 4.2Å; W54-I178 HydrophobicContact CG-CD1 4.08Å; V59-I178 HydrophobicContact CG2-CD1 4.43Å; V174-I178 HydrophobicContact CG1-CD1 3.65Å; V174-I178 HydrophobicContact CG1-CG1 4.31Å; V174-I178 WeakPolarHBondContact O-CG1 3.19Å; V174-I178 PolarHBondContact O-N 2.71Å; I178-E181 PolarHBondContact O-N 3.1Å; I178-N182 WeakPolarHBondContact CG2-ND2 3.4Å; I178-N182 WeakPolarHBondContact O-CB 3.47Å; I178-N182 VanDerWaalsContact O-CG 3.23Å; I178-N182 PolarHBondContact O-N 3.17Å; I178-N182 PolarHBondContact O-ND2 3.01Å
179A93.3Very high87.8Confident46 Ų4657.4 Ų57.438%0.3831%0.305SS..Hα-helixtrans-60.3-47.1175.800000111.8K175 I177 E181 N182 D183K175-A179 WeakPolarHBondContact O-CB 3.44Å; K175-A179 PolarHBondContact O-N 3.11Å; K175-A179 VanDerWaalsContact O-N 3.09Å; I177-A179 VanDerWaalsContact C-N 3.31Å; I177-A179 PolarHBondContact O-N 3.44Å; A179-E181 PolarHBondContact O-N 3.34Å; A179-N182 PolarHBondContact O-N 2.91Å; A179-D183 PolarHBondContact O-N 2.84Å
180N91.8Very high85.4Confident32 Ų3262.3 Ų62.317%0.17134%0.337CS..Hα-helixtrans-63.4-39.6177.5-74.4-16.5000112.6L114 H176 I177 M184L114-N180 HydrophobicContact CD1-CB 4.42Å; H176-N180 WeakPolarHBondContact O-CB 3.31Å; H176-N180 VanDerWaalsContact O-CG 3.26Å; H176-N180 PolarHBondContact O-N 3.15Å; H176-N180 PolarHBondContact O-ND2 3.18Å; I177-N180 PolarHBondContact O-N 2.94Å; N180-M184 VanDerWaalsContact O-CG 3.26Å; N180-M184 WeakPolarHBondContact O-CG 3.33Å; N180-M184 PolarHBondContact O-N 3.01Å; N180-M184 VanDerWaalsContact O-N 3.13Å
181E90.9Very high83.1Confident46 Ų4669.8 Ų69.822%0.21538%0.376CS..Hα-helixtrans-65.1-42.9176.6-177.7177.5-134.300111.5H9 Y11 I177 I178 A179 M184 L185H9-E181 IonicContact CE1-OE2 3.83Å; H9-E181 IonicContact ND1-OE2 2.68Å; H9-E181 PolarHBondContact ND1-OE2 2.94Å; Y11-E181 PolarHBondContact OH-OE2 3.47Å; I177-E181 WeakPolarHBondContact O-CB 3.49Å; I177-E181 PolarHBondContact O-N 3.45Å; I178-E181 PolarHBondContact O-N 3.1Å; A179-E181 PolarHBondContact O-N 3.34Å; E181-M184 WeakPolarHBondContact O-CB 3.35Å; E181-M184 PolarHBondContact O-N 2.92Å; E181-L185 HydrophobicContact CG-CD1 4.36Å; E181-L185 WeakPolarHBondContact O-CG 3.35Å; E181-L185 PolarHBondContact O-N 3.28Å
182N89.2Confident81Confident63 Ų6372.2 Ų72.234%0.33739%0.394SS..Hα-helixtrans-64.3-41.1177-72.3-29.8000112.3I178 A179 M184 L185 Q186I178-N182 WeakPolarHBondContact CG2-ND2 3.4Å; I178-N182 WeakPolarHBondContact O-CB 3.47Å; I178-N182 VanDerWaalsContact O-CG 3.23Å; I178-N182 PolarHBondContact O-N 3.17Å; I178-N182 PolarHBondContact O-ND2 3.01Å; A179-N182 PolarHBondContact O-N 2.91Å; N182-M184 VanDerWaalsContact C-N 3.26Å; N182-M184 PolarHBondContact O-N 3.22Å; N182-L185 PolarHBondContact O-N 3.38Å; N182-Q186 WeakPolarHBondContact O-CG 3.29Å; N182-Q186 PolarHBondContact O-N 3.27Å
183D86.8Confident78.8Confident80 Ų8078.1 Ų78.143%0.42842%0.422SS..Hα-helixtrans-58.7-40.1173.3-80.86.6000111.3A179 Q186 S187A179-D183 PolarHBondContact O-N 2.84Å; D183-Q186 PolarHBondContact O-N 3.03Å; D183-S187 PolarHBondContact O-N 3.39Å
184M82.7Confident76.6Confident38 Ų3883.2 Ų83.219%0.18745%0.454CS..Hα-helixtrans-65.2-46.9177.6-71.3173.756.400111.6A115 N116 N180 E181 N182 Q186 S187 E188A115-M184 HydrophobicContact CB-CE 3.71Å; N116-M184 HydrophobicContact CB-CG 4.12Å; N116-M184 WeakPolarHBondContact ND2-CG 3.37Å; N180-M184 VanDerWaalsContact O-CG 3.26Å; N180-M184 WeakPolarHBondContact O-CG 3.33Å; N180-M184 PolarHBondContact O-N 3.01Å; N180-M184 VanDerWaalsContact O-N 3.13Å; E181-M184 WeakPolarHBondContact O-CB 3.35Å; E181-M184 PolarHBondContact O-N 2.92Å; N182-M184 VanDerWaalsContact C-N 3.26Å; N182-M184 PolarHBondContact O-N 3.22Å; M184-Q186 VanDerWaalsContact C-N 3.28Å; M184-Q186 PolarHBondContact O-N 3.14Å; M184-S187 PolarHBondContact O-N 3.41Å; M184-S187 VanDerWaalsContact O-N 3.14Å; M184-S187 PolarHBondContact O-OG 3.29Å; M184-E188 PolarHBondContact O-N 2.91Å
185L82.3Confident74.1Confident89 Ų8988.3 Ų88.347%0.46649%0.487SS..Hα-helixtrans-62.9-33.4178.7-68.4171000112.8E181 N182E181-L185 HydrophobicContact CG-CD1 4.36Å; E181-L185 WeakPolarHBondContact O-CG 3.35Å; E181-L185 PolarHBondContact O-N 3.28Å; N182-L185 PolarHBondContact O-N 3.38Å
186Q76.1Confident71.8Confident144 Ų14490.3 Ų90.367%0.67350%0.498SS*.Hα-helixtrans-72.1-31.3175.9-71.3177.917.200112.6N182 D183 M184 E188N182-Q186 WeakPolarHBondContact O-CG 3.29Å; N182-Q186 PolarHBondContact O-N 3.27Å; D183-Q186 PolarHBondContact O-N 3.03Å; M184-Q186 VanDerWaalsContact C-N 3.28Å; M184-Q186 PolarHBondContact O-N 3.14Å; Q186-E188 VanDerWaalsContact C-N 3.31Å; Q186-E188 PolarHBondContact O-N 3.02Å
187S64.6Low69.6Low90 Ų9095.1 Ų95.163%0.62953%0.525SS*.Hα-helixtrans-74.4-16.8-179.769.50000114.7D183 M184D183-S187 PolarHBondContact O-N 3.39Å; M184-S187 PolarHBondContact O-N 3.41Å; M184-S187 VanDerWaalsContact O-N 3.14Å; M184-S187 PolarHBondContact O-OG 3.29Å
188E59.5Low67.2Low147 Ų147103.7 Ų103.769%0.68757%0.565SS**THydrogen-bonded Turntrans-87.6-3.1-179.7-69.4-172.4170.500114.6M184 Q186 P190M184-E188 PolarHBondContact O-N 2.91Å; Q186-E188 VanDerWaalsContact C-N 3.31Å; Q186-E188 PolarHBondContact O-N 3.02Å; E188-P190 WeakPolarHBondContact O-CD 3.49Å
189V51.9Low64.8Low105 Ų105112 Ų11264%0.63660%0.601SS**  trans-84105.3172.1-172.60000108.3
190P47.9Very low62.4Low104 Ų104117.6 Ų117.668%0.67562%0.624SS**  trans-71.5141.5174.7-322.4000107.7E188 T192E188-P190 WeakPolarHBondContact O-CD 3.49Å; P190-T192 PolarHBondContact O-N 2.88Å
191D50.5Low60.2Low158 Ų158125.4 Ų125.485%0.84566%0.657SS**  trans-37.8102.8165.3-80.9-44.4000109.8I193D191-I193 PolarHBondContact O-N 2.91Å
192T52.2Low57.9Low119 Ų119127 Ų12773%0.7369%0.685SS**  trans-7291.7171.1-51.80000104.5P190 T194P190-T192 PolarHBondContact O-N 2.88Å; T192-T194 VanDerWaalsContact C-N 3.26Å; T192-T194 PolarHBondContact O-N 3.03Å; T192-T194 PolarHBondContact O-OG1 3.33Å
193I53.8Low55.5Low151 Ų151127.6 Ų127.677%0.77471%0.706SS**  trans-53.2102.1168-59.6174.5000105.1D191 P195D191-I193 PolarHBondContact O-N 2.91Å; I193-P195 VanDerWaalsContact O-CD 3.25Å; I193-P195 WeakPolarHBondContact O-CD 3.49Å
194T52.6Low53.4Low110 Ų110130.3 Ų130.368%0.67573%0.726SS**  trans-73.3115.2173.4-42.60000104.3T192 Q196T192-T194 VanDerWaalsContact C-N 3.26Å; T192-T194 PolarHBondContact O-N 3.03Å; T192-T194 PolarHBondContact O-OG1 3.33Å; T194-Q196 PolarHBondContact O-N 2.68Å
195P44.9Very low51.3Low107 Ų107134.9 Ų134.970%0.69576%0.76SS**  trans-62.7110.217524.5-29.8000107I193 L197I193-P195 VanDerWaalsContact O-CD 3.25Å; I193-P195 WeakPolarHBondContact O-CD 3.49Å; P195-L197 VanDerWaalsContact C-N 3.34Å; P195-L197 PolarHBondContact O-N 3.39Å
196Q48.2Very low49.5Very low182 Ų182135.1 Ų135.185%0.8577%0.769SS**  trans-67.4101.2167.2-69.7-170.5-5.500106.3T194 E198T194-Q196 PolarHBondContact O-N 2.68Å; Q196-E198 VanDerWaalsContact C-N 3.29Å; Q196-E198 PolarHBondContact O-N 3.02Å
197L51.3Low47.8Very low164 Ų164133.8 Ų133.886%0.85978%0.776SS**  trans-62.498162.5-82.5157.5000106.7P195 K199P195-L197 VanDerWaalsContact C-N 3.34Å; P195-L197 PolarHBondContact O-N 3.39Å; L197-K199 PolarHBondContact O-N 3.13Å
198E45.3Very low46.9Very low182 Ų182135.7 Ų135.785%0.8579%0.788SS**  trans-54.4113.4164.8-72.4-171.1154.600107.4Q196 D200Q196-E198 VanDerWaalsContact C-N 3.29Å; Q196-E198 PolarHBondContact O-N 3.02Å; E198-D200 VanDerWaalsContact C-N 3.32Å; E198-D200 PolarHBondContact O-N 3.03Å
199K45Very low46.1Very low195 Ų195139 Ų13985%0.84880%0.8SS**  trans-6897.6169.8-78.9-178.2177.5177.80107.3L197 K201L197-K199 PolarHBondContact O-N 3.13Å; K199-K201 PolarHBondContact O-N 3.3Å
200D44.1Very low45.6Very low163 Ų163144.8 Ų144.887%0.87281%0.811SS**  trans-53.8111167.9-133.6-8000108.2E198E198-D200 VanDerWaalsContact C-N 3.32Å; E198-D200 PolarHBondContact O-N 3.03Å
201K43.5Very low45.3Very low197 Ų197145.2 Ų145.286%0.85782%0.816SS**  trans-73.5127.9177.8-79.2-177.9175.8176.30107.8K199 G203K199-K201 PolarHBondContact O-N 3.3Å; K201-G203 PolarHBondContact O-N 3.05Å
202G43Very low44.9Very low78 Ų78150.5 Ų150.580%0.80484%0.836SS**  trans-49.9123.1-173.400000114.6
203G39.4Very low44.6Very low77 Ų77152.1 Ų152.179%0.79484%0.841SS**  trans-91.5109.9156.500000109.2K201 C205K201-G203 PolarHBondContact O-N 3.05Å; G203-C205 PolarHBondContact O-N 3.05Å
204T42.1Very low44.1Very low137 Ų137152.1 Ų152.184%0.8484%0.844SS**  trans-64113.6175.9-180000109.8
205C39.3Very low43.6Very low134 Ų134154.4 Ų154.491%0.90585%0.854SS**  trans-89.3108.4169.4-1680000108.7G203G203-C205 PolarHBondContact O-N 3.05Å
206S45.1Very low43.5Very low94 Ų94157.2 Ų157.266%0.65786%0.863SS**  trans-148.3104.6169.853.80000109.7
207S40Very low43.3Very low116 Ų116155.7 Ų155.781%0.81186%0.864SS**  152.1105.2126.765.90000111.5
208C45.3Very low42.7Very low130 Ų130155.1 Ų155.188%0.87886%0.864SS**  trans-80.5121.8145.7-69.90000107.5
209F41.8Very low42.5Very low215 Ų215153.2 Ų153.294%0.94387%0.865SS**  trans-144.4137.1150.6-119.3-88.5000109.8
210R42.5Very low42.4Very low228 Ų228150 Ų15086%0.8687%0.867SS**  trans-90170.9-170.8-114-176.1176.2-155.5-1.9111.9
211S41.9Very low42.2Very low113 Ų113148.9 Ų148.979%0.7987%0.866SS**  trans78.2135158.452.90000116.7
212Q42.5Very low42.1Very low268 Ų268144.5 Ų144.5100%1.25287%0.867SS**  cis-128.6022.1-79.517027.900112.9

Retrieved 212 of 212 residues in 92.7 ms (Link to these results)

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