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Kynureninase

Catalyzes the cleavage of L-kynurenine (L-Kyn) and L-3-hydroxykynurenine (L-3OHKyn) into anthranilic acid (AA) and 3-hydroxyanthranilic acid (3-OHAA), respectively. Has a preference for the L-3-hydroxy form. Also has cysteine-conjugate-beta-lyase activity.

AlphaFold DB (A0A096NSL7), UniProt , Accession A0A096NSL6, Species PAPAN (Papio anubis, Olive baboon), Gene KYNU, Length 465 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
1M35.2Very low67.9Low239 Ų239105.5 Ų105.5100%1.17759%0.591SS**  01070-88.2-178.9-93.300106.1
2E27.7Very low70.4Confident188 Ų18898 Ų9888%0.87955%0.55SS**  trans-54132.7166.2-74.3177.1155.600107.8S4E2-S4 PolarHBondContact O-N 3.17Å
3P43.2Very low72.5Confident114 Ų11490.5 Ų90.574%0.7451%0.508SS*.  trans-60.3125.2174.424.3-29.1000107.3
4S44.2Very low74.3Confident101 Ų10190.9 Ų90.971%0.70650%0.504SS*.  trans-43.7130.8166.1174.30000108E2 L6E2-S4 PolarHBondContact O-N 3.17Å; S4-L6 PolarHBondContact O-N 3.2Å; S4-L6 VanDerWaalsContact O-N 3.08Å
5P55.4Low75.9Confident117 Ų11791 Ų9176%0.7649%0.494SS*.PPolyproline II helixtrans-51.6125.1178.119.1-29.2000107.8E7P5-E7 PolarHBondContact O-N 2.82Å; P5-E7 VanDerWaalsContact O-N 3.11Å
6L68.1Low77.3Confident108 Ų10885.6 Ų85.657%0.56546%0.464SS*.PPolyproline II helixtrans-57.8120.8178.3-109.197.3000107.3S4 L8S4-L6 PolarHBondContact O-N 3.2Å; S4-L6 VanDerWaalsContact O-N 3.08Å; L6-L8 PolarHBondContact O-N 3.49Å
7E87.9Confident78.5Confident79 Ų7980.6 Ų80.637%0.36944%0.437SS..PPolyproline II helixtrans-55.9127.8172.3-174.8-179.7-12600108.6P5 V11 T12 R15P5-E7 PolarHBondContact O-N 2.82Å; P5-E7 VanDerWaalsContact O-N 3.11Å; E7-V11 HydrophobicContact CG-CB 3.82Å; E7-V11 HydrophobicContact CG-CG1 3.74Å; E7-T12 WeakPolarHBondContact OE2-CA 3.39Å; E7-T12 PolarHBondContact OE2-OG1 2.99Å; E7-R15 IonicContact OE1-NE 3.65Å; E7-R15 PolarHBondContact OE1-NE 3.37Å; E7-R15 VanDerWaalsContact OE1-NE 3.13Å; E7-R15 IonicContact OE2-CZ 3.47Å; E7-R15 IonicContact OE2-NE 3.66Å; E7-R15 PolarHBondContact OE2-NE 2.94Å; E7-R15 IonicContact OE2-NH2 3.31Å; E7-R15 PolarHBondContact OE2-NH2 3.23Å
8L95.4Very high79.6Confident98 Ų9882.2 Ų82.251%0.51345%0.45SS..PPolyproline II helixtrans-62.4143.9179.4-71.1174.8000110.1L6 A10 V11 T12 I396L6-L8 PolarHBondContact O-N 3.49Å; L8-A10 VanDerWaalsContact C-N 3.27Å; L8-A10 PolarHBondContact O-N 3.16Å; L8-A10 VanDerWaalsContact O-N 3.12Å; L8-V11 HydrophobicContact CB-CG2 4.18Å; L8-V11 WeakPolarHBondContact O-CA 3.29Å; L8-V11 WeakPolarHBondContact O-CB 3.24Å; L8-V11 PolarHBondContact O-N 3.27Å; L8-T12 PolarHBondContact O-N 3.11Å; L8-T12 VanDerWaalsContact O-N 3.09Å; L8-I396 HydrophobicContact CD2-CD1 4.31Å
9P96.7Very high80.5Confident8 Ų883.7 Ų83.75%0.05245%0.454CS..Hα-helixtrans-51.2-41.8-177.7-3136.5000114.6V11 T12 V13 I362 L363 I396P9-V11 VanDerWaalsContact C-N 3.3Å; P9-V11 PolarHBondContact O-N 3.16Å; P9-T12 WeakPolarHBondContact O-CB 3.34Å; P9-T12 PolarHBondContact O-N 3.03Å; P9-V13 VanDerWaalsContact O-CG2 3.23Å; P9-V13 WeakPolarHBondContact O-CG2 3.48Å; P9-V13 PolarHBondContact O-N 3.36Å; P9-I362 HydrophobicContact CG-CG2 3.85Å; P9-I362 WeakPolarHBondContact CG-O 3.3Å; P9-L363 HydrophobicContact CB-CD1 4.05Å; P9-I396 HydrophobicContact CG-CG2 4.39Å
10A96.4Very high81.4Confident40 Ų4082 Ų8233%0.33144%0.444SS..Hα-helixtrans-61.6-37.4178.100000112.8L8 Q14 Y370L8-A10 VanDerWaalsContact C-N 3.27Å; L8-A10 PolarHBondContact O-N 3.16Å; L8-A10 VanDerWaalsContact O-N 3.12Å; A10-Q14 WeakPolarHBondContact O-CG 3.34Å; A10-Q14 PolarHBondContact O-N 3.16Å; A10-Q14 VanDerWaalsContact O-N 3.12Å; A10-Y370 HydrophobicContact CB-CD2 3.75Å; A10-Y370 HydrophobicContact CB-CE2 4.32Å
11V97.1Very high82.2Confident68 Ų6887.1 Ų87.141%0.41246%0.462SS..Hα-helixtrans-69.8-43.5177.4-178.40000110E7 L8 P9 V13 Q14 R15E7-V11 HydrophobicContact CG-CB 3.82Å; E7-V11 HydrophobicContact CG-CG1 3.74Å; L8-V11 HydrophobicContact CB-CG2 4.18Å; L8-V11 WeakPolarHBondContact O-CA 3.29Å; L8-V11 WeakPolarHBondContact O-CB 3.24Å; L8-V11 PolarHBondContact O-N 3.27Å; P9-V11 VanDerWaalsContact C-N 3.3Å; P9-V11 PolarHBondContact O-N 3.16Å; V11-V13 VanDerWaalsContact C-N 3.34Å; V11-V13 PolarHBondContact O-N 3.48Å; V11-Q14 PolarHBondContact O-N 2.95Å; V11-R15 WeakPolarHBondContact O-CB 3.26Å; V11-R15 PolarHBondContact O-N 3.15Å
12T97.6Very high85.2Confident16 Ų1676.8 Ų76.810%0.09841%0.413CS..Hα-helixtrans-56.8-46.9174.3-57.80000111.6E7 L8 P9 R15 I16 L363E7-T12 WeakPolarHBondContact OE2-CA 3.39Å; E7-T12 PolarHBondContact OE2-OG1 2.99Å; L8-T12 PolarHBondContact O-N 3.11Å; L8-T12 VanDerWaalsContact O-N 3.09Å; P9-T12 WeakPolarHBondContact O-CB 3.34Å; P9-T12 PolarHBondContact O-N 3.03Å; T12-R15 PolarHBondContact O-N 3.06Å; T12-I16 HydrophobicContact CG2-CG1 4.4Å; T12-I16 VanDerWaalsContact O-CG1 3.31Å; T12-I16 WeakPolarHBondContact O-CG1 3.43Å; T12-I16 PolarHBondContact O-N 3.08Å; T12-L363 HydrophobicContact CG2-CD1 3.83Å; T12-L363 HydrophobicContact CG2-CD2 4.3Å
13V97.8Very high88.6Confident0 Ų072.4 Ų72.40%039%0.392CS..Hα-helixtrans-61-46.7179.91710000111.4P9 V11 I16 A17 P24 V29 Y367 Y370P9-V13 VanDerWaalsContact O-CG2 3.23Å; P9-V13 WeakPolarHBondContact O-CG2 3.48Å; P9-V13 PolarHBondContact O-N 3.36Å; V11-V13 VanDerWaalsContact C-N 3.34Å; V11-V13 PolarHBondContact O-N 3.48Å; V13-I16 PolarHBondContact O-N 3.05Å; V13-A17 WeakPolarHBondContact O-CB 3.24Å; V13-A17 PolarHBondContact O-N 2.96Å; V13-P24 HydrophobicContact CG1-CB 4.24Å; V13-V29 HydrophobicContact CG1-CG1 4.22Å; V13-Y367 HydrophobicContact CG1-CD2 4.12Å; V13-Y367 HydrophobicContact CG1-CE2 4.14Å; V13-Y367 HydrophobicContact CG2-CD2 3.63Å; V13-Y367 HydrophobicContact CG2-CE2 4.38Å; V13-Y367 HydrophobicContact CG2-CG 4.45Å; V13-Y370 HydrophobicContact CG1-CD1 3.74Å; V13-Y370 HydrophobicContact CG1-CE1 3.69Å; V13-Y370 HydrophobicContact CG1-CG 4.37Å
14Q97.7Very high91.1Very high97 Ų9768.1 Ų68.145%0.45336%0.364SS..Hα-helixtrans-64.2-40.5177.5-72.4175.4-10.600112.7A10 V11 A17 T18 P24 Y370A10-Q14 WeakPolarHBondContact O-CG 3.34Å; A10-Q14 PolarHBondContact O-N 3.16Å; A10-Q14 VanDerWaalsContact O-N 3.12Å; V11-Q14 PolarHBondContact O-N 2.95Å; Q14-A17 PolarHBondContact O-N 2.95Å; Q14-T18 PolarHBondContact O-N 2.78Å; Q14-T18 PolarHBondContact O-OG1 2.86Å; Q14-P24 HydrophobicContact CG-CG 4.37Å; Q14-Y370 HydrophobicContact CG-CE2 4.4Å
15R98.1Very high93.7Very high92 Ų9265 Ų6535%0.34734%0.342SS..Hα-helixtrans-63.9-49.3177.5-177.4179.353.166.23111.2E7 V11 T12 A17 T18 E19E7-R15 IonicContact OE1-NE 3.65Å; E7-R15 PolarHBondContact OE1-NE 3.37Å; E7-R15 VanDerWaalsContact OE1-NE 3.13Å; E7-R15 IonicContact OE2-CZ 3.47Å; E7-R15 IonicContact OE2-NE 3.66Å; E7-R15 PolarHBondContact OE2-NE 2.94Å; E7-R15 IonicContact OE2-NH2 3.31Å; E7-R15 PolarHBondContact OE2-NH2 3.23Å; V11-R15 WeakPolarHBondContact O-CB 3.26Å; V11-R15 PolarHBondContact O-N 3.15Å; T12-R15 PolarHBondContact O-N 3.06Å; R15-A17 VanDerWaalsContact C-N 3.31Å; R15-A17 PolarHBondContact O-N 3.34Å; R15-T18 WeakPolarHBondContact O-CB 3.39Å; R15-T18 PolarHBondContact O-N 2.86Å; R15-T18 VanDerWaalsContact O-N 3.12Å; R15-E19 WeakPolarHBondContact CG-OE1 3.33Å; R15-E19 IonicContact CZ-OE1 3.39Å; R15-E19 IonicContact NH1-OE1 3.95Å; R15-E19 PolarHBondContact NH1-OE1 3.22Å; R15-E19 IonicContact NH1-OE2 2.74Å; R15-E19 WeakPolarHBondContact O-CG 3.42Å; R15-E19 PolarHBondContact O-N 2.81Å
16I97.8Very high95.7Very high4 Ų461.6 Ų61.62%0.02132%0.317CS..Hα-helixtrans-58.4-43.8176.1-68.9-61.5000111T12 V13 T18 E19 L20 V29 L33 L36T12-I16 HydrophobicContact CG2-CG1 4.4Å; T12-I16 VanDerWaalsContact O-CG1 3.31Å; T12-I16 WeakPolarHBondContact O-CG1 3.43Å; T12-I16 PolarHBondContact O-N 3.08Å; V13-I16 PolarHBondContact O-N 3.05Å; I16-T18 VanDerWaalsContact C-N 3.28Å; I16-T18 PolarHBondContact O-N 3.47Å; I16-E19 PolarHBondContact O-N 3.49Å; I16-L20 HydrophobicContact CG2-CD1 3.74Å; I16-L20 HydrophobicContact CG2-CG 4.28Å; I16-L20 WeakPolarHBondContact O-CB 3.45Å; I16-L20 VanDerWaalsContact O-CG 3.31Å; I16-L20 WeakPolarHBondContact O-CG 3.24Å; I16-L20 PolarHBondContact O-N 3.35Å; I16-V29 HydrophobicContact CG2-CG1 4.15Å; I16-L33 HydrophobicContact CG1-CD2 4.37Å; I16-L36 HydrophobicContact CD1-CD1 4.25Å
17A98Very high97.2Very high1 Ų160 Ų601%0.00831%0.307CS..Hα-helixtrans-61.2-38.3177.500000112.7V13 Q14 R15 L20 K21 C22 P24 V29V13-A17 WeakPolarHBondContact O-CB 3.24Å; V13-A17 PolarHBondContact O-N 2.96Å; Q14-A17 PolarHBondContact O-N 2.95Å; R15-A17 VanDerWaalsContact C-N 3.31Å; R15-A17 PolarHBondContact O-N 3.34Å; A17-L20 PolarHBondContact O-N 2.97Å; A17-K21 PolarHBondContact O-N 3.05Å; A17-C22 PolarHBondContact O-N 2.81Å; A17-P24 HydrophobicContact CB-CB 4.13Å; A17-P24 HydrophobicContact CB-CG 3.91Å; A17-V29 HydrophobicContact CB-CG2 3.88Å
18T98.1Very high97.7Very high109 Ų10961.9 Ų61.967%0.66931%0.31SS*.Hα-helixtrans-64.6-45.2174.9-56.10000111.3Q14 R15 I16 L20 K21Q14-T18 PolarHBondContact O-N 2.78Å; Q14-T18 PolarHBondContact O-OG1 2.86Å; R15-T18 WeakPolarHBondContact O-CB 3.39Å; R15-T18 PolarHBondContact O-N 2.86Å; R15-T18 VanDerWaalsContact O-N 3.12Å; I16-T18 VanDerWaalsContact C-N 3.28Å; I16-T18 PolarHBondContact O-N 3.47Å; T18-L20 VanDerWaalsContact C-N 3.31Å; T18-L20 PolarHBondContact O-N 3.02Å; T18-K21 PolarHBondContact O-N 2.77Å; T18-K21 VanDerWaalsContact O-N 3.14Å
19E98Very high97.8Very high111 Ų11157.2 Ų57.252%0.51929%0.286SS..Hα-helixtrans-60-40.5176.4-70.2168.1-164.100111.7R15 I16 K21R15-E19 WeakPolarHBondContact CG-OE1 3.33Å; R15-E19 IonicContact CZ-OE1 3.39Å; R15-E19 IonicContact NH1-OE1 3.95Å; R15-E19 PolarHBondContact NH1-OE1 3.22Å; R15-E19 IonicContact NH1-OE2 2.74Å; R15-E19 WeakPolarHBondContact O-CG 3.42Å; R15-E19 PolarHBondContact O-N 2.81Å; I16-E19 PolarHBondContact O-N 3.49Å; E19-K21 VanDerWaalsContact C-N 3.31Å; E19-K21 PolarHBondContact O-N 3.47Å
20L98.2Very high97.9Very high50 Ų5056.8 Ų56.826%0.26228%0.283SS..THydrogen-bonded Turntrans-80.6-5.9178-64.4175.5000114.3I16 A17 T18 C22 R28 H32I16-L20 HydrophobicContact CG2-CD1 3.74Å; I16-L20 HydrophobicContact CG2-CG 4.28Å; I16-L20 WeakPolarHBondContact O-CB 3.45Å; I16-L20 VanDerWaalsContact O-CG 3.31Å; I16-L20 WeakPolarHBondContact O-CG 3.24Å; I16-L20 PolarHBondContact O-N 3.35Å; A17-L20 PolarHBondContact O-N 2.97Å; T18-L20 VanDerWaalsContact C-N 3.31Å; T18-L20 PolarHBondContact O-N 3.02Å; L20-C22 VanDerWaalsContact C-N 3.31Å; L20-C22 PolarHBondContact O-N 2.91Å; L20-R28 HydrophobicContact CD1-CB 4.47Å; L20-H32 HydrophobicContact CD1-CB 3.68Å; L20-H32 HydrophobicContact CD2-CB 4.43Å
21K98.3Very high98.1Very high190 Ų19058.3 Ų58.383%0.82629%0.285SS*.THydrogen-bonded Turntrans52.648-174-55.5177.2-177175.40111.9A17 T18 E19A17-K21 PolarHBondContact O-N 3.05Å; T18-K21 PolarHBondContact O-N 2.77Å; T18-K21 VanDerWaalsContact O-N 3.14Å; E19-K21 VanDerWaalsContact C-N 3.31Å; E19-K21 PolarHBondContact O-N 3.47Å
22C98.3Very high98.1Very high21 Ų2157 Ų5714%0.14227%0.274CS..SBendtrans-132.1170.717971.80000111.9A17 L20 D26 V29A17-C22 PolarHBondContact O-N 2.81Å; L20-C22 VanDerWaalsContact C-N 3.31Å; L20-C22 PolarHBondContact O-N 2.91Å; C22-D26 HydrophobicContact CB-CB 3.92Å; C22-V29 WeakPolarHBondContact SG-CG2 3.39Å
23H97.9Very high98.2Very high97 Ų9756.6 Ų56.645%0.44927%0.272SS..  trans-71.7147.2171.1-164.9-97.3000110.1T25 D26 H374H23-T25 PolarHBondContact ND1-N 3.07Å; H23-T25 PolarHBondContact ND1-OG1 3.22Å; H23-T25 PolarHBondContact O-N 3.49Å; H23-T25 VanDerWaalsContact O-N 3.07Å; H23-D26 WeakPolarHBondContact O-CB 3.36Å; H23-D26 PolarHBondContact O-N 3.31Å; H23-H374 AromaticContact CE1-CE1 3.64Å; H23-H374 AromaticContact CE1-NE2 3.46Å; H23-H374 PolarHBondContact CE1-NE2 2.98Å
24P97.2Very high98.2Very high23 Ų2357.3 Ų57.315%0.14928%0.276CS..THydrogen-bonded Turntrans-58.4-19.6177.6-29.537.3000116.3V13 Q14 A17 Y370V13-P24 HydrophobicContact CG1-CB 4.24Å; Q14-P24 HydrophobicContact CG-CG 4.37Å; A17-P24 HydrophobicContact CB-CB 4.13Å; A17-P24 HydrophobicContact CB-CG 3.91Å; P24-Y370 HydrophobicContact CB-CE1 3.73Å; P24-Y370 WeakPolarHBondContact CB-OH 3.45Å
25T97.6Very high98.3Very high37 Ų3758.5 Ų58.523%0.22728%0.281CS..THydrogen-bonded Turntrans-96.75176.765.20000113.4H23 L371 H374 Y448H23-T25 PolarHBondContact ND1-N 3.07Å; H23-T25 PolarHBondContact ND1-OG1 3.22Å; H23-T25 PolarHBondContact O-N 3.49Å; H23-T25 VanDerWaalsContact O-N 3.07Å; T25-L371 HydrophobicContact CG2-CD2 3.92Å; T25-H374 HydrophobicContact CG2-CB 4.39Å; T25-H374 WeakPolarHBondContact CG2-ND1 3.4Å; T25-Y448 WeakPolarHBondContact O-CE2 3.42Å
26D98.3Very high98.3Very high45 Ų4558.9 Ų58.924%0.24129%0.29CS..SBendtrans-72.1142179.5-167.7-59.4000110.7C22 H23 R28 V29C22-D26 HydrophobicContact CB-CB 3.92Å; H23-D26 WeakPolarHBondContact O-CB 3.36Å; H23-D26 PolarHBondContact O-N 3.31Å; D26-R28 PolarHBondContact O-N 3.14Å; D26-R28 VanDerWaalsContact O-N 3.13Å; D26-R28 VanDerWaalsContact OD1-CB 3.32Å; D26-R28 WeakPolarHBondContact OD1-CB 3.47Å; D26-R28 VanDerWaalsContact OD1-CG 3.28Å; D26-R28 WeakPolarHBondContact OD1-CG 3.27Å; D26-R28 IonicContact OD1-CZ 3.56Å; D26-R28 PolarHBondContact OD1-N 3.23Å; D26-R28 IonicContact OD1-NE 3.73Å; D26-R28 PolarHBondContact OD1-NE 3.38Å; D26-R28 IonicContact OD2-CZ 3.56Å; D26-R28 IonicContact OD2-NE 2.78Å; D26-R28 PolarHBondContact OD2-NE 3.27Å; D26-R28 IonicContact OD2-NH2 3.89Å; D26-R28 PolarHBondContact OD2-NH2 2.88Å; D26-V29 WeakPolarHBondContact O-CB 3.22Å; D26-V29 PolarHBondContact O-N 3.2Å
27E98.7Very high98.3Very high75 Ų7559.8 Ų59.835%0.3529%0.294SS..Hα-helixtrans-53.3-33.8177.6-170.6168.6-150.700112.5V29 A30 L31 H445 Y448E27-V29 PolarHBondContact O-N 3.39Å; E27-V29 VanDerWaalsContact O-N 3.16Å; E27-A30 WeakPolarHBondContact O-CB 3.42Å; E27-A30 PolarHBondContact O-N 2.62Å; E27-L31 HydrophobicContact CG-CD1 4.08Å; E27-L31 HydrophobicContact CG-CG 4.2Å; E27-L31 PolarHBondContact O-N 3.07Å; E27-H445 IonicContact OE1-CD2 3.24Å; E27-H445 IonicContact OE1-CE1 3.65Å; E27-H445 IonicContact OE1-NE2 3.9Å; E27-H445 PolarHBondContact OE1-NE2 3.47Å; E27-Y448 HydrophobicContact CB-CD1 4.27Å; E27-Y448 HydrophobicContact CB-CE1 3.66Å; E27-Y448 HydrophobicContact CB-CE2 3.94Å; E27-Y448 VanDerWaalsContact CB-CZ 3.47Å; E27-Y448 HydrophobicContact CG-CD1 3.84Å; E27-Y448 HydrophobicContact CG-CE1 3.51Å; E27-Y448 HydrophobicContact CG-CG 4.49Å
28R98.6Very high98.3Very high117 Ų11768.7 Ų68.744%0.44233%0.333SS..Hα-helixtrans-57-30.5178.3-69.2178.1-71.4166.7-8.5112.9L20 D26 H32L20-R28 HydrophobicContact CD1-CB 4.47Å; D26-R28 PolarHBondContact O-N 3.14Å; D26-R28 VanDerWaalsContact O-N 3.13Å; D26-R28 VanDerWaalsContact OD1-CB 3.32Å; D26-R28 WeakPolarHBondContact OD1-CB 3.47Å; D26-R28 VanDerWaalsContact OD1-CG 3.28Å; D26-R28 WeakPolarHBondContact OD1-CG 3.27Å; D26-R28 IonicContact OD1-CZ 3.56Å; D26-R28 PolarHBondContact OD1-N 3.23Å; D26-R28 IonicContact OD1-NE 3.73Å; D26-R28 PolarHBondContact OD1-NE 3.38Å; D26-R28 IonicContact OD2-CZ 3.56Å; D26-R28 IonicContact OD2-NE 2.78Å; D26-R28 PolarHBondContact OD2-NE 3.27Å; D26-R28 IonicContact OD2-NH2 3.89Å; D26-R28 PolarHBondContact OD2-NH2 2.88Å; R28-H32 VanDerWaalsContact O-CB 3.24Å; R28-H32 WeakPolarHBondContact O-CB 3.48Å; R28-H32 PolarHBondContact O-N 3.23Å
29V98.8Very high98.4Very high0 Ų064.2 Ų64.20%031%0.305CS..Hα-helixtrans-66.1-46.5175.8179.80000110.5V13 I16 A17 C22 D26 E27 H32 L33 Y367V13-V29 HydrophobicContact CG1-CG1 4.22Å; I16-V29 HydrophobicContact CG2-CG1 4.15Å; A17-V29 HydrophobicContact CB-CG2 3.88Å; C22-V29 WeakPolarHBondContact SG-CG2 3.39Å; D26-V29 WeakPolarHBondContact O-CB 3.22Å; D26-V29 PolarHBondContact O-N 3.2Å; E27-V29 PolarHBondContact O-N 3.39Å; E27-V29 VanDerWaalsContact O-N 3.16Å; V29-H32 PolarHBondContact O-N 3.32Å; V29-L33 HydrophobicContact CG1-CD1 4.08Å; V29-L33 VanDerWaalsContact O-CG 3.3Å; V29-L33 WeakPolarHBondContact O-CG 3.28Å; V29-L33 PolarHBondContact O-N 3.02Å; V29-Y367 HydrophobicContact CG1-CE2 4.31Å
30A98.8Very high98.4Very high0 Ų065 Ų650%030%0.303CS..Hα-helixtrans-63.1-47.7178.400000111.5E27 H32 L33 D34 Y367 F444 Y448E27-A30 WeakPolarHBondContact O-CB 3.42Å; E27-A30 PolarHBondContact O-N 2.62Å; A30-H32 VanDerWaalsContact C-N 3.31Å; A30-H32 PolarHBondContact O-N 2.83Å; A30-L33 PolarHBondContact O-N 3.24Å; A30-D34 PolarHBondContact O-N 3.35Å; A30-Y367 HydrophobicContact CB-CE1 4Å; A30-F444 HydrophobicContact CB-CB 4.24Å; A30-Y448 HydrophobicContact CB-CG 4.36Å
31L98.8Very high98.4Very high71 Ų7168 Ų6837%0.37232%0.315SS..Hα-helixtrans-59.7-42.2178.3-64.9175.5000111.5E27 D34 E35 H445E27-L31 HydrophobicContact CG-CD1 4.08Å; E27-L31 HydrophobicContact CG-CG 4.2Å; E27-L31 PolarHBondContact O-N 3.07Å; L31-D34 PolarHBondContact O-N 3.4Å; L31-E35 WeakPolarHBondContact O-CG 3.44Å; L31-E35 PolarHBondContact O-N 3.48Å; L31-H445 HydrophobicContact CD2-CB 4.49Å
32H98.7Very high98.5Very high41 Ų4159.6 Ų59.619%0.1928%0.279CS..Hα-helixtrans-68.4-37.6177.5-169.464.2000113L20 R28 V29 A30 D34 E35 L36L20-H32 HydrophobicContact CD1-CB 3.68Å; L20-H32 HydrophobicContact CD2-CB 4.43Å; R28-H32 VanDerWaalsContact O-CB 3.24Å; R28-H32 WeakPolarHBondContact O-CB 3.48Å; R28-H32 PolarHBondContact O-N 3.23Å; V29-H32 PolarHBondContact O-N 3.32Å; A30-H32 VanDerWaalsContact C-N 3.31Å; A30-H32 PolarHBondContact O-N 2.83Å; H32-D34 VanDerWaalsContact C-N 3.31Å; H32-D34 PolarHBondContact O-N 3.11Å; H32-E35 IonicContact ND1-OE2 3.22Å; H32-E35 PolarHBondContact ND1-OE2 3.04Å; H32-E35 WeakPolarHBondContact O-CB 3.33Å; H32-E35 PolarHBondContact O-N 3.11Å; H32-E35 VanDerWaalsContact O-N 3.14Å; H32-L36 WeakPolarHBondContact O-CG 3.37Å; H32-L36 PolarHBondContact O-N 3.09Å
33L98.6Very high98.5Very high7 Ų762.3 Ų62.34%0.03729%0.286CS..Hα-helixtrans-63.9-37.4173.4-72.2170.7000111.7I16 V29 A30 E35 L36 D37 L363 F444I16-L33 HydrophobicContact CG1-CD2 4.37Å; V29-L33 HydrophobicContact CG1-CD1 4.08Å; V29-L33 VanDerWaalsContact O-CG 3.3Å; V29-L33 WeakPolarHBondContact O-CG 3.28Å; V29-L33 PolarHBondContact O-N 3.02Å; A30-L33 PolarHBondContact O-N 3.24Å; L33-E35 VanDerWaalsContact C-N 3.34Å; L33-L36 PolarHBondContact O-N 2.82Å; L33-D37 PolarHBondContact O-N 2.99Å; L33-D37 VanDerWaalsContact O-N 3.08Å; L33-L363 HydrophobicContact CD2-CD2 4.05Å; L33-F444 HydrophobicContact CB-CB 3.95Å; L33-F444 HydrophobicContact CB-CD1 3.9Å; L33-F444 HydrophobicContact CB-CD2 3.53Å; L33-F444 HydrophobicContact CB-CE1 4.27Å; L33-F444 HydrophobicContact CB-CE2 3.94Å; L33-F444 HydrophobicContact CB-CG 3.51Å; L33-F444 HydrophobicContact CB-CZ 4.3Å; L33-F444 HydrophobicContact CD1-CD1 3.72Å; L33-F444 HydrophobicContact CD1-CE1 4.06Å; L33-F444 HydrophobicContact CD1-CG 4.15Å; L33-F444 HydrophobicContact CG-CD1 4.41Å; L33-F444 HydrophobicContact CG-CG 4.47Å
34D98.8Very high98.5Very high16 Ų1663.4 Ų63.49%0.08629%0.292CS..Hα-helixtrans-68.1-31.2171.3-75.8-39000112.6A30 L31 H32 D37 R40 S443 F444 H445A30-D34 PolarHBondContact O-N 3.35Å; L31-D34 PolarHBondContact O-N 3.4Å; H32-D34 VanDerWaalsContact C-N 3.31Å; H32-D34 PolarHBondContact O-N 3.11Å; D34-D37 PolarHBondContact O-N 2.89Å; D34-R40 WeakPolarHBondContact O-CD 3.35Å; D34-R40 PolarHBondContact O-NH1 3.42Å; D34-S443 WeakPolarHBondContact OD1-CA 3.49Å; D34-S443 VanDerWaalsContact OD1-CB 3.25Å; D34-S443 WeakPolarHBondContact OD1-CB 3.33Å; D34-S443 WeakPolarHBondContact OD2-CB 3.24Å; D34-F444 WeakPolarHBondContact OD1-CD2 3.32Å; D34-F444 PolarHBondContact OD1-N 3.32Å; D34-F444 PolarHBondContact OD2-N 3.3Å; D34-H445 VanDerWaalsContact OD2-CB 3.29Å; D34-H445 WeakPolarHBondContact OD2-CB 3.28Å; D34-H445 PolarHBondContact OD2-N 2.84Å
35E98.6Very high98.6Very high122 Ų12264.4 Ų64.457%0.5730%0.298SS*.Hα-helixtrans-64.5-40.7171.9-74.7170.5176.500113.2L31 H32 L33 D37 R40L31-E35 WeakPolarHBondContact O-CG 3.44Å; L31-E35 PolarHBondContact O-N 3.48Å; H32-E35 IonicContact ND1-OE2 3.22Å; H32-E35 PolarHBondContact ND1-OE2 3.04Å; H32-E35 WeakPolarHBondContact O-CB 3.33Å; H32-E35 PolarHBondContact O-N 3.11Å; H32-E35 VanDerWaalsContact O-N 3.14Å; L33-E35 VanDerWaalsContact C-N 3.34Å; E35-D37 VanDerWaalsContact C-N 3.32Å; E35-R40 VanDerWaalsContact CA-NH1 3.32Å
36L98Very high98.7Very high100 Ų10062.8 Ų62.852%0.52429%0.288SS..Hα-helixtrans-80.1-12.7178.4-63.9179.7000113.4I16 H32 L33 K38I16-L36 HydrophobicContact CD1-CD1 4.25Å; H32-L36 WeakPolarHBondContact O-CG 3.37Å; H32-L36 PolarHBondContact O-N 3.09Å; L33-L36 PolarHBondContact O-N 2.82Å; L36-K38 PolarHBondContact O-N 3.42Å; L36-K38 VanDerWaalsContact O-N 3.08Å
37D98.5Very high98.7Very high22 Ų2266.2 Ų66.212%0.11830%0.299CS..  trans-70.5103.3-178.1179.821.8000112.3L33 D34 E35 L39 R40 K360L33-D37 PolarHBondContact O-N 2.99Å; L33-D37 VanDerWaalsContact O-N 3.08Å; D34-D37 PolarHBondContact O-N 2.89Å; E35-D37 VanDerWaalsContact C-N 3.32Å; D37-L39 PolarHBondContact O-N 3.16Å; D37-L39 WeakPolarHBondContact OD1-CA 3.37Å; D37-L39 WeakPolarHBondContact OD1-CB 3.37Å; D37-L39 PolarHBondContact OD1-N 2.92Å; D37-R40 HydrophobicContact CB-CB 4.19Å; D37-R40 VanDerWaalsContact O-CB 3.22Å; D37-R40 WeakPolarHBondContact O-CB 3.49Å; D37-R40 PolarHBondContact O-N 3.28Å; D37-R40 VanDerWaalsContact O-N 3.1Å; D37-R40 WeakPolarHBondContact OD2-CA 3.28Å; D37-R40 PolarHBondContact OD2-N 3Å; D37-R40 VanDerWaalsContact OD2-N 3.12Å; D37-K360 WeakPolarHBondContact OD2-CE 3.34Å; D37-K360 IonicContact OD2-NZ 2.7Å; D37-K360 PolarHBondContact OD2-NZ 3.44Å
38K98.7Very high98.7Very high188 Ų18864.2 Ų64.282%0.81729%0.29SS*.THydrogen-bonded Turntrans-62.7-20.5174.9-62.1-174.3179.8-174.80113.2L36 H41L36-K38 PolarHBondContact O-N 3.42Å; L36-K38 VanDerWaalsContact O-N 3.08Å; K38-H41 PolarHBondContact O-CE1 2.8Å; K38-H41 PolarHBondContact O-ND1 2.88Å; K38-H41 VanDerWaalsContact O-ND1 3.07Å
39L98.7Very high98.7Very high16 Ų1660.5 Ų60.58%0.08428%0.281CS..THydrogen-bonded Turntrans-92.9-2178.9-55.4-177000113.1D37 H41 F42 A356 L357 K360D37-L39 PolarHBondContact O-N 3.16Å; D37-L39 WeakPolarHBondContact OD1-CA 3.37Å; D37-L39 WeakPolarHBondContact OD1-CB 3.37Å; D37-L39 PolarHBondContact OD1-N 2.92Å; L39-H41 PolarHBondContact O-N 2.75Å; L39-F42 HydrophobicContact CB-CD2 4.01Å; L39-F42 HydrophobicContact CD2-CD2 3.97Å; L39-F42 HydrophobicContact CD2-CE2 3.71Å; L39-F42 WeakPolarHBondContact O-CB 3.36Å; L39-F42 WeakPolarHBondContact O-CD2 3.18Å; L39-F42 PolarHBondContact O-N 2.76Å; L39-A356 HydrophobicContact CD1-CB 4.05Å; L39-A356 HydrophobicContact CD2-CB 4.09Å; L39-L357 HydrophobicContact CD1-CD2 3.98Å; L39-K360 HydrophobicContact CB-CD 4.25Å; L39-K360 HydrophobicContact CD1-CB 4.13Å; L39-K360 HydrophobicContact CD1-CD 4.2Å
40R98.7Very high98.7Very high128 Ų12864.1 Ų64.148%0.48330%0.297SS..G310 helixtrans-51.4-39-175.3176.7177.259.2-164.60.4113.4D34 E35 D37 F42 R43D34-R40 WeakPolarHBondContact O-CD 3.35Å; D34-R40 PolarHBondContact O-NH1 3.42Å; E35-R40 VanDerWaalsContact CA-NH1 3.32Å; D37-R40 HydrophobicContact CB-CB 4.19Å; D37-R40 VanDerWaalsContact O-CB 3.22Å; D37-R40 WeakPolarHBondContact O-CB 3.49Å; D37-R40 PolarHBondContact O-N 3.28Å; D37-R40 VanDerWaalsContact O-N 3.1Å; D37-R40 WeakPolarHBondContact OD2-CA 3.28Å; D37-R40 PolarHBondContact OD2-N 3Å; D37-R40 VanDerWaalsContact OD2-N 3.12Å; R40-F42 PolarHBondContact O-N 3.23Å; R40-R43 VanDerWaalsContact O-CB 3.27Å; R40-R43 WeakPolarHBondContact O-CB 3.38Å; R40-R43 PolarHBondContact O-N 3.45Å; R40-R43 VanDerWaalsContact O-N 3.16Å
41H98.8Very high98.7Very high111 Ų11164.7 Ų64.751%0.51430%0.3SS..G310 helixtrans-64-23.2-177.767.1-81.5000113.6K38 L39 R43 E44K38-H41 PolarHBondContact O-CE1 2.8Å; K38-H41 PolarHBondContact O-ND1 2.88Å; K38-H41 VanDerWaalsContact O-ND1 3.07Å; L39-H41 PolarHBondContact O-N 2.75Å; H41-R43 PolarHBondContact O-N 2.89Å; H41-E44 WeakPolarHBondContact O-CB 3.41Å; H41-E44 PolarHBondContact O-N 3.33Å
42F98.9Very high98.6Very high14 Ų1464.4 Ų64.46%0.06130%0.296CS..G310 helixtrans-66.4-21.6176.3-72.1-65.1000113.1L39 R40 E44 C45 F46 I348 Q351 A352 L440L39-F42 HydrophobicContact CB-CD2 4.01Å; L39-F42 HydrophobicContact CD2-CD2 3.97Å; L39-F42 HydrophobicContact CD2-CE2 3.71Å; L39-F42 WeakPolarHBondContact O-CB 3.36Å; L39-F42 WeakPolarHBondContact O-CD2 3.18Å; L39-F42 PolarHBondContact O-N 2.76Å; R40-F42 PolarHBondContact O-N 3.23Å; F42-E44 PolarHBondContact O-N 3.48Å; F42-C45 WeakPolarHBondContact O-CB 3.07Å; F42-C45 PolarHBondContact O-N 3.39Å; F42-F46 VanDerWaalsContact O-CD2 3.24Å; F42-F46 WeakPolarHBondContact O-CD2 3.4Å; F42-I348 HydrophobicContact CD1-CG2 3.72Å; F42-I348 HydrophobicContact CE1-CG2 4.18Å; F42-I348 HydrophobicContact CG-CG2 4.45Å; F42-Q351 HydrophobicContact CE1-CB 3.74Å; F42-Q351 HydrophobicContact CZ-CB 3.72Å; F42-A352 HydrophobicContact CD2-CB 4.06Å; F42-A352 HydrophobicContact CE1-CB 4.34Å; F42-A352 HydrophobicContact CE2-CB 3.65Å; F42-A352 HydrophobicContact CZ-CB 3.81Å; F42-L440 CarbonylContact C-O 3.55Å; F42-L440 VanDerWaalsContact C-O 3.31Å; F42-L440 HydrophobicContact CB-CD2 4.34Å; F42-L440 WeakPolarHBondContact CB-O 3.29Å; F42-L440 HydrophobicContact CG-CD2 4.49Å
43R98.8Very high98.6Very high79 Ų7967.9 Ų67.930%0.29832%0.316SS..G310 helixtrans-56.9-33.4173.9-169.1172.9112.2-174.94111.8R40 H41 C45 F46 I48 L440 Y441R40-R43 VanDerWaalsContact O-CB 3.27Å; R40-R43 WeakPolarHBondContact O-CB 3.38Å; R40-R43 PolarHBondContact O-N 3.45Å; R40-R43 VanDerWaalsContact O-N 3.16Å; H41-R43 PolarHBondContact O-N 2.89Å; R43-C45 PolarHBondContact O-N 2.98Å; R43-F46 PolarHBondContact O-N 3.06Å; R43-I48 HydrophobicContact CG-CD1 3.54Å; R43-L440 PolarHBondContact N-O 2.96Å; R43-Y441 WeakPolarHBondContact CD-O 3.49Å; R43-Y441 WeakPolarHBondContact CG-O 3.36Å
44E98.8Very high98.6Very high120 Ų12068.9 Ų68.956%0.56132%0.321SS*.G310 helixtrans-72.6-10.9177.5-61-52.3133.400113.6H41 F42 F46 K81H41-E44 WeakPolarHBondContact O-CB 3.41Å; H41-E44 PolarHBondContact O-N 3.33Å; F42-E44 PolarHBondContact O-N 3.48Å; E44-F46 VanDerWaalsContact C-N 3.26Å; E44-F46 PolarHBondContact O-N 3.39Å; E44-K81 VanDerWaalsContact O-CD 3.3Å; E44-K81 WeakPolarHBondContact O-CD 3.47Å; E44-K81 WeakPolarHBondContact O-CE 3.19Å; E44-K81 PolarHBondContact O-NZ 2.98Å
45C98.9Very high98.6Very high43 Ų4374.2 Ų74.229%0.29136%0.357SS..G310 helixtrans-79.8-6.2175.7-580000113.2F42 R43 P80 K81 I348F42-C45 WeakPolarHBondContact O-CB 3.07Å; F42-C45 PolarHBondContact O-N 3.39Å; R43-C45 PolarHBondContact O-N 2.98Å; C45-P80 CarbonylContact O-C 3.52Å; C45-P80 WeakPolarHBondContact O-CA 3.39Å; C45-K81 PolarHBondContact O-N 3.47Å; C45-I348 HydrophobicContact CB-CD1 3.76Å; C45-I348 HydrophobicContact CB-CG1 4.42Å
46F98.9Very high98.6Very high4 Ų471 Ų712%0.01835%0.347CS..BIsolated β-bridgetrans-118.8149.6-173.2-65.1-89.5000113F42 R43 E44 I48 L78 Q79 P80 K81 N279 I348 L440 Y441F42-F46 VanDerWaalsContact O-CD2 3.24Å; F42-F46 WeakPolarHBondContact O-CD2 3.4Å; R43-F46 PolarHBondContact O-N 3.06Å; E44-F46 VanDerWaalsContact C-N 3.26Å; E44-F46 PolarHBondContact O-N 3.39Å; F46-I48 PolarHBondContact O-N 2.82Å; F46-L78 HydrophobicContact CB-CB 4.32Å; F46-L78 HydrophobicContact CD1-CB 4.07Å; F46-L78 WeakPolarHBondContact CD1-O 3.28Å; F46-Q79 WeakPolarHBondContact CA-O 3.47Å; F46-P80 HydrophobicContact CD1-CG 4.44Å; F46-P80 HydrophobicContact CE1-CB 4.45Å; F46-P80 HydrophobicContact CE1-CG 3.96Å; F46-K81 WeakPolarHBondContact O-CE 3.3Å; F46-N279 HydrophobicContact CE1-CB 4.17Å; F46-I348 HydrophobicContact CE1-CD1 4.32Å; F46-I348 HydrophobicContact CE2-CD1 4.07Å; F46-I348 HydrophobicContact CE2-CG2 4.27Å; F46-I348 HydrophobicContact CZ-CD1 3.74Å; F46-I348 HydrophobicContact CZ-CG2 4.24Å; F46-L440 HydrophobicContact CE2-CB 3.94Å; F46-L440 HydrophobicContact CE2-CD2 4.47Å; F46-L440 HydrophobicContact CZ-CB 4.14Å; F46-L440 HydrophobicContact CZ-CD1 4.02Å; F46-L440 HydrophobicContact CZ-CG 4.48Å; F46-Y441 AromaticContact CD1-CD1 3.84Å; F46-Y441 HydrophobicContact CD1-CD1 3.84Å; F46-Y441 HydrophobicContact CD1-CE1 4.27Å; F46-Y441 AromaticContact CD2-CD1 3.86Å; F46-Y441 HydrophobicContact CD2-CD1 3.86Å; F46-Y441 HydrophobicContact CD2-CG 4.31Å; F46-Y441 AromaticContact CE1-CD1 3.95Å; F46-Y441 HydrophobicContact CE1-CD1 3.95Å; F46-Y441 HydrophobicContact CE1-CE1 4.24Å; F46-Y441 AromaticContact CE2-CD1 3.98Å; F46-Y441 HydrophobicContact CE2-CD1 3.98Å; F46-Y441 AromaticContact CG-CD1 3.8Å; F46-Y441 HydrophobicContact CG-CD1 3.8Å; F46-Y441 HydrophobicContact CG-CG 4.31Å; F46-Y441 HydrophobicContact CZ-CD1 4.03Å
47Y98.9Very high98.6Very high117 Ų11767.3 Ų67.346%0.45933%0.329SS..  trans-81107.5164.2-69-65.2000109.4Q79 K81Y47-Q79 HydrophobicContact CD2-CB 4.27Å; Y47-Q79 HydrophobicContact CD2-CG 4.1Å; Y47-Q79 PolarHBondContact N-O 2.98Å; Y47-K81 HydrophobicContact CD1-CG 4.11Å; Y47-K81 HydrophobicContact CD2-CG 4.05Å; Y47-K81 HydrophobicContact CE1-CD 4.38Å; Y47-K81 HydrophobicContact CE1-CG 3.93Å; Y47-K81 HydrophobicContact CE2-CB 4.1Å; Y47-K81 HydrophobicContact CE2-CG 3.88Å; Y47-K81 HydrophobicContact CG-CG 4.17Å
48I98.8Very high98.5Very high33 Ų3369.4 Ų69.417%0.16934%0.34CS..PPolyproline II helixtrans-95.4124.9175-53.2176.6000108.1R43 F46 N67 L78R43-I48 HydrophobicContact CG-CD1 3.54Å; F46-I48 PolarHBondContact O-N 2.82Å; I48-N67 HydrophobicContact CG2-CB 3.84Å; I48-L78 HydrophobicContact CB-CD1 4.39Å; I48-L78 HydrophobicContact CG1-CD1 3.92Å; I48-L78 HydrophobicContact CG2-CD1 4.42Å
49P98.8Very high98.5Very high39 Ų3964.2 Ų64.225%0.25332%0.321SS..PPolyproline II helixtrans-57.5147.1177.9-24.934.3000112.1L54 A68 Y70 L78P49-L54 HydrophobicContact CB-CD2 3.93Å; P49-A68 HydrophobicContact CB-CB 4.18Å; P49-A68 WeakPolarHBondContact O-CB 3.49Å; P49-A68 PolarHBondContact O-N 3.09Å; P49-Y70 HydrophobicContact CG-CD2 4.32Å; P49-L78 HydrophobicContact CG-CD2 4.35Å
50K98.5Very high98.4Very high76 Ų7668.1 Ų68.133%0.3335%0.349SS..BIsolated β-bridgetrans-83144.8166.3-60.2-55.6-1641640109.6Q52 D53 D65 E66 N67K50-Q52 HydrophobicContact CB-CG 4.03Å; K50-Q52 PolarHBondContact O-N 3.21Å; K50-D53 WeakPolarHBondContact CB-OD2 3.49Å; K50-D53 PolarHBondContact O-N 3.04Å; K50-D53 VanDerWaalsContact O-N 3.11Å; K50-D65 PolarHBondContact NZ-O 2.97Å; K50-E66 WeakPolarHBondContact CA-O 3.44Å; K50-N67 WeakPolarHBondContact CD-OD1 3.3Å; K50-N67 WeakPolarHBondContact CE-OD1 3.43Å; K50-N67 PolarHBondContact NZ-OD1 2.79Å
51I98.3Very high98.4Very high11 Ų1165.5 Ų65.56%0.05634%0.344CS..G310 helixtrans-56.3-44.6-178.7-70.3179.5000110.5D53 L54 V57 V62 E66 A68I51-D53 PolarHBondContact O-N 2.95Å; I51-D53 VanDerWaalsContact O-N 3.08Å; I51-L54 WeakPolarHBondContact O-CB 3.31Å; I51-L54 PolarHBondContact O-N 3.08Å; I51-V57 HydrophobicContact CG2-CG1 3.81Å; I51-V57 HydrophobicContact CG2-CG2 3.99Å; I51-V57 WeakPolarHBondContact O-CG2 3.38Å; I51-V62 HydrophobicContact CG2-CB 3.71Å; I51-V62 HydrophobicContact CG2-CG1 3.79Å; I51-V62 HydrophobicContact CG2-CG2 3.65Å; I51-E66 HydrophobicContact CD1-CB 3.89Å; I51-E66 PolarHBondContact N-O 3.12Å; I51-A68 HydrophobicContact CG1-CB 4.45Å
52Q98.1Very high98.3Very high66 Ų6661.3 Ų61.331%0.30833%0.327SS..G310 helixtrans-59-20.8-179.469.7-1531200115.4K50 L59 K64 D65K50-Q52 HydrophobicContact CB-CG 4.03Å; K50-Q52 PolarHBondContact O-N 3.21Å; Q52-L59 HydrophobicContact CB-CD2 3.96Å; Q52-K64 HydrophobicContact CB-CB 4.04Å; Q52-K64 WeakPolarHBondContact CB-O 3.47Å; Q52-K64 VanDerWaalsContact CD-O 3.32Å; Q52-K64 PolarHBondContact N-O 3.2Å; Q52-K64 PolarHBondContact OE1-O 3.26Å; Q52-D65 PolarHBondContact OE1-OD1 3.44Å
53D98.4Very high98.1Very high114 Ų11466 Ų6661%0.6135%0.352SS*.G310 helixtrans-94.5-6.4-177.7-59-32.2000112.2K50 I51K50-D53 WeakPolarHBondContact CB-OD2 3.49Å; K50-D53 PolarHBondContact O-N 3.04Å; K50-D53 VanDerWaalsContact O-N 3.11Å; I51-D53 PolarHBondContact O-N 2.95Å; I51-D53 VanDerWaalsContact O-N 3.08Å
54L98.4Very high97.6Very high27 Ų2767.6 Ų67.614%0.14136%0.361CS..SBendtrans-77129-179.5-64.5179.3000110.7P49 I51 P56 V57 A68 V424P49-L54 HydrophobicContact CB-CD2 3.93Å; I51-L54 WeakPolarHBondContact O-CB 3.31Å; I51-L54 PolarHBondContact O-N 3.08Å; L54-P56 VanDerWaalsContact C-CD 3.46Å; L54-V57 HydrophobicContact CB-CB 4.3Å; L54-V57 HydrophobicContact CB-CG2 3.58Å; L54-V57 HydrophobicContact CD1-CG2 3.99Å; L54-V57 HydrophobicContact CG-CG2 4.37Å; L54-V57 PolarHBondContact O-N 3.25Å; L54-A68 HydrophobicContact CD1-CB 3.71Å; L54-A68 HydrophobicContact CD2-CB 4.48Å; L54-A68 HydrophobicContact CG-CB 4.38Å; L54-V424 HydrophobicContact CD1-CG2 3.71Å; L54-V424 HydrophobicContact CD2-CG2 3.96Å
55P98.4Very high97.4Very high129 Ų12967.7 Ų67.784%0.83837%0.366SS*.THydrogen-bonded Turntrans-56-40.8-174.6-25.232.9000116.7V57P55-V57 VanDerWaalsContact C-N 3.34Å
56P97.7Very high97.4Very high55 Ų5568.8 Ų68.836%0.35737%0.366SS..THydrogen-bonded Turntrans-892.5-174.936.5-36.6000113.8L54 E419 K420L54-P56 VanDerWaalsContact C-CD 3.46Å; P56-E419 HydrophobicContact CB-CB 4.22Å; P56-E419 HydrophobicContact CB-CG 3.85Å; P56-E419 HydrophobicContact CG-CB 3.83Å; P56-E419 HydrophobicContact CG-CG 4.04Å; P56-K420 WeakPolarHBondContact O-CA 3.2Å
57V98.1Very high97.4Very high22 Ų2270.9 Ų70.913%0.13338%0.378CS..  trans-70.7136.5-173.9161.20000111.9I51 L54 P55 L59 V62 E419I51-V57 HydrophobicContact CG2-CG1 3.81Å; I51-V57 HydrophobicContact CG2-CG2 3.99Å; I51-V57 WeakPolarHBondContact O-CG2 3.38Å; L54-V57 HydrophobicContact CB-CB 4.3Å; L54-V57 HydrophobicContact CB-CG2 3.58Å; L54-V57 HydrophobicContact CD1-CG2 3.99Å; L54-V57 HydrophobicContact CG-CG2 4.37Å; L54-V57 PolarHBondContact O-N 3.25Å; P55-V57 VanDerWaalsContact C-N 3.34Å; V57-L59 HydrophobicContact CG1-CD2 4.06Å; V57-V62 HydrophobicContact CG1-CG1 4.38Å; V57-V62 HydrophobicContact CG1-CG2 3.8Å; V57-E419 WeakPolarHBondContact CG2-O 3.21Å
58D97.9Very high97.4Very high66 Ų6665.4 Ų65.435%0.35336%0.357SS..  trans-91.6107.1165.2-174-23.5000109S60 L61 K420D58-S60 VanDerWaalsContact CG-OG 3.31Å; D58-S60 PolarHBondContact O-N 3.25Å; D58-S60 WeakPolarHBondContact OD1-CB 3.4Å; D58-S60 PolarHBondContact OD1-N 2.99Å; D58-S60 PolarHBondContact OD1-OG 2.89Å; D58-S60 PolarHBondContact OD2-OG 2.79Å; D58-L61 HydrophobicContact CB-CD1 3.9Å; D58-L61 HydrophobicContact CB-CG 4.05Å; D58-L61 PolarHBondContact O-N 3.47Å; D58-K420 HydrophobicContact CB-CB 4.25Å; D58-K420 HydrophobicContact CB-CG 4.47Å; D58-K420 PolarHBondContact N-O 3.49Å
59L97.6Very high97.4Very high79 Ų7964.2 Ų64.241%0.41435%0.351SS..THydrogen-bonded Turntrans-62.4-14.3-177.2-65.5179000114Q52 V57 L61 V62 K64Q52-L59 HydrophobicContact CB-CD2 3.96Å; V57-L59 HydrophobicContact CG1-CD2 4.06Å; L59-L61 VanDerWaalsContact C-N 3.32Å; L59-V62 HydrophobicContact CD2-CG2 4.49Å; L59-K64 HydrophobicContact CD2-CG 4.45Å
60S97.5Very high97.4Very high98 Ų9863.4 Ų63.469%0.68534%0.343SS*.THydrogen-bonded Turntrans-79-15.6175.672.50000113.3D58D58-S60 VanDerWaalsContact CG-OG 3.31Å; D58-S60 PolarHBondContact O-N 3.25Å; D58-S60 WeakPolarHBondContact OD1-CB 3.4Å; D58-S60 PolarHBondContact OD1-N 2.99Å; D58-S60 PolarHBondContact OD1-OG 2.89Å; D58-S60 PolarHBondContact OD2-OG 2.79Å
61L96.9Very high97.4Very high73 Ų7359.8 Ų59.838%0.38233%0.327SS..SBendtrans-102.30.8-175-57.8-179.3000113.7D58 L59 K420 R421D58-L61 HydrophobicContact CB-CD1 3.9Å; D58-L61 HydrophobicContact CB-CG 4.05Å; D58-L61 PolarHBondContact O-N 3.47Å; L59-L61 VanDerWaalsContact C-N 3.32Å; L61-K420 HydrophobicContact CD1-CB 4.33Å; L61-R421 HydrophobicContact CB-CG 4.14Å; L61-R421 HydrophobicContact CD1-CG 4.22Å
62V97.1Very high97.4Very high23 Ų2360.6 Ų60.614%0.13933%0.331CS..SBendtrans-140.2153.9-165.4-60.80000113I51 V57 L59 K64 R421I51-V62 HydrophobicContact CG2-CB 3.71Å; I51-V62 HydrophobicContact CG2-CG1 3.79Å; I51-V62 HydrophobicContact CG2-CG2 3.65Å; V57-V62 HydrophobicContact CG1-CG1 4.38Å; V57-V62 HydrophobicContact CG1-CG2 3.8Å; L59-V62 HydrophobicContact CD2-CG2 4.49Å; V62-K64 PolarHBondContact O-N 3.36Å; V62-R421 HydrophobicContact CG1-CB 4.48Å
63N95.8Very high97.4Very high111 Ų11157.5 Ų57.559%0.59432%0.317SS*.  trans-81.9113.2164.9-65.4-31.1000108.7D65 E66N63-D65 PolarHBondContact O-N 3.31Å; N63-E66 HydrophobicContact CB-CG 3.87Å; N63-E66 WeakPolarHBondContact CB-OE1 3.46Å; N63-E66 PolarHBondContact ND2-OE1 2.75Å; N63-E66 PolarHBondContact O-N 3.3Å
64K87.6Confident97.4Very high113 Ų11352 Ų5249%0.49129%0.288SS..THydrogen-bonded Turntrans-54.8-49.5-165.7-62.4-171.3175.1-176.80113.6Q52 L59 V62 E66Q52-K64 HydrophobicContact CB-CB 4.04Å; Q52-K64 WeakPolarHBondContact CB-O 3.47Å; Q52-K64 VanDerWaalsContact CD-O 3.32Å; Q52-K64 PolarHBondContact N-O 3.2Å; Q52-K64 PolarHBondContact OE1-O 3.26Å; L59-K64 HydrophobicContact CD2-CG 4.45Å; V62-K64 PolarHBondContact O-N 3.36Å; K64-E66 VanDerWaalsContact C-N 3.26Å; K64-E66 PolarHBondContact O-N 2.94Å
65D95.8Very high97.4Very high123 Ų12352.7 Ų52.766%0.65830%0.295SS*.THydrogen-bonded Turntrans-77.9-4.1-172-61.9-59.7000115K50 Q52 N63K50-D65 PolarHBondContact NZ-O 2.97Å; Q52-D65 PolarHBondContact OE1-OD1 3.44Å; N63-D65 PolarHBondContact O-N 3.31Å
66E97.6Very high97.5Very high65 Ų6549.5 Ų49.530%0.30427%0.27SS..SBendtrans-66.8150.9177.1-74-167.6-150.900111.7K50 I51 N63 K64 K449K50-E66 WeakPolarHBondContact CA-O 3.44Å; I51-E66 HydrophobicContact CD1-CB 3.89Å; I51-E66 PolarHBondContact N-O 3.12Å; N63-E66 HydrophobicContact CB-CG 3.87Å; N63-E66 WeakPolarHBondContact CB-OE1 3.46Å; N63-E66 PolarHBondContact ND2-OE1 2.75Å; N63-E66 PolarHBondContact O-N 3.3Å; K64-E66 VanDerWaalsContact C-N 3.26Å; K64-E66 PolarHBondContact O-N 2.94Å; E66-K449 IonicContact OE2-NZ 3.4Å; E66-K449 PolarHBondContact OE2-NZ 3.32Å
67N98.6Very high97.5Very high49 Ų4947 Ų4726%0.26226%0.255SS..BIsolated β-bridgetrans-70.3145.4170.9-73.8-0.9000110.1I48 K50I48-N67 HydrophobicContact CG2-CB 3.84Å; K50-N67 WeakPolarHBondContact CD-OD1 3.3Å; K50-N67 WeakPolarHBondContact CE-OD1 3.43Å; K50-N67 PolarHBondContact NZ-OD1 2.79Å
68A98.6Very high97.5Very high2 Ų246.4 Ų46.42%0.01725%0.251CS..PPolyproline II helixtrans-61.3145.7170.500000111.8P49 I51 L54 Y70 V424P49-A68 HydrophobicContact CB-CB 4.18Å; P49-A68 WeakPolarHBondContact O-CB 3.49Å; P49-A68 PolarHBondContact O-N 3.09Å; I51-A68 HydrophobicContact CG1-CB 4.45Å; L54-A68 HydrophobicContact CD1-CB 3.71Å; L54-A68 HydrophobicContact CD2-CB 4.48Å; L54-A68 HydrophobicContact CG-CB 4.38Å; A68-Y70 VanDerWaalsContact C-N 3.33Å; A68-Y70 PolarHBondContact O-N 3.09Å; A68-Y70 VanDerWaalsContact O-N 3.08Å; A68-V424 HydrophobicContact CB-CG2 4.45Å
69I98.8Very high97.6Very high8 Ų847.7 Ų47.74%0.04126%0.255CS..EExtended strand (participates in β ladder)trans-81.787.7166.9-60.4172.6000106.9F71 G422 V423 V424 D446 K449 F450 L453I69-F71 HydrophobicContact CG2-CD1 4.08Å; I69-F71 HydrophobicContact CG2-CD2 4.07Å; I69-F71 HydrophobicContact CG2-CE1 3.85Å; I69-F71 HydrophobicContact CG2-CE2 3.87Å; I69-F71 HydrophobicContact CG2-CG 4.18Å; I69-F71 HydrophobicContact CG2-CZ 3.74Å; I69-F71 PolarHBondContact O-N 3.17Å; I69-G422 PolarHBondContact N-O 2.84Å; I69-G422 VanDerWaalsContact N-O 3.11Å; I69-V423 HydrophobicContact CB-CG2 4.17Å; I69-V423 HydrophobicContact CD1-CG2 4.12Å; I69-V423 HydrophobicContact CG2-CG2 4.48Å; I69-V424 PolarHBondContact O-N 2.78Å; I69-D446 HydrophobicContact CG2-CB 4.4Å; I69-K449 HydrophobicContact CD1-CB 3.64Å; I69-F450 HydrophobicContact CG2-CB 4.17Å; I69-L453 HydrophobicContact CD1-CD1 3.9Å
70Y98.9Very high97.7Very high21 Ų2144 Ų448%0.08224%0.235CC..EExtended strand (participates in β ladder)trans-89.593.9-173.9-162.9-86.8000111.7P49 A68 L72 L76 L78 V424 Y441 N442P49-Y70 HydrophobicContact CG-CD2 4.32Å; A68-Y70 VanDerWaalsContact C-N 3.33Å; A68-Y70 PolarHBondContact O-N 3.09Å; A68-Y70 VanDerWaalsContact O-N 3.08Å; Y70-L72 HydrophobicContact CE1-CB 4Å; Y70-L76 WeakPolarHBondContact CE1-O 3.49Å; Y70-L76 PolarHBondContact OH-O 3.41Å; Y70-L76 VanDerWaalsContact OH-O 3.05Å; Y70-L78 HydrophobicContact CD1-CD1 4.23Å; Y70-L78 HydrophobicContact CD1-CD2 3.64Å; Y70-L78 HydrophobicContact CD1-CG 3.76Å; Y70-L78 HydrophobicContact CD2-CD2 3.89Å; Y70-L78 HydrophobicContact CE1-CD2 3.67Å; Y70-L78 HydrophobicContact CE1-CG 4Å; Y70-L78 HydrophobicContact CE2-CD2 3.91Å; Y70-L78 HydrophobicContact CG-CD1 4.33Å; Y70-L78 HydrophobicContact CG-CD2 3.75Å; Y70-L78 HydrophobicContact CG-CG 4.19Å; Y70-V424 HydrophobicContact CD2-CB 3.72Å; Y70-V424 HydrophobicContact CD2-CG1 3.9Å; Y70-V424 HydrophobicContact CD2-CG2 3.87Å; Y70-V424 HydrophobicContact CE2-CB 4.06Å; Y70-V424 HydrophobicContact CE2-CG1 3.68Å; Y70-V424 HydrophobicContact CE2-CG2 4.35Å; Y70-V424 HydrophobicContact CG-CB 4.39Å; Y70-Y441 HydrophobicContact CD1-CE2 4.35Å; Y70-N442 PolarHBondContact O-ND2 3.46Å; Y70-N442 PolarHBondContact O-OD1 2.94Å
71F98.9Very high97.7Very high0 Ų042.5 Ų42.50%022%0.216CC..  trans-105.726.5179.1-72.6-7000112.9I69 V424 V435 A436 P437 N442 D446 V447 F450I69-F71 HydrophobicContact CG2-CD1 4.08Å; I69-F71 HydrophobicContact CG2-CD2 4.07Å; I69-F71 HydrophobicContact CG2-CE1 3.85Å; I69-F71 HydrophobicContact CG2-CE2 3.87Å; I69-F71 HydrophobicContact CG2-CG 4.18Å; I69-F71 HydrophobicContact CG2-CZ 3.74Å; I69-F71 PolarHBondContact O-N 3.17Å; F71-V424 CarbonylContact C-O 3.49Å; F71-V424 WeakPolarHBondContact CA-O 3.24Å; F71-V424 PolarHBondContact N-O 2.96Å; F71-V435 HydrophobicContact CB-CB 4.07Å; F71-V435 HydrophobicContact CB-CG1 4.25Å; F71-V435 HydrophobicContact CD2-CB 3.94Å; F71-V435 HydrophobicContact CD2-CG1 4.1Å; F71-V435 HydrophobicContact CG-CB 4.45Å; F71-A436 PolarHBondContact O-N 2.86Å; F71-P437 HydrophobicContact CD1-CB 4Å; F71-P437 HydrophobicContact CE1-CB 3.7Å; F71-P437 HydrophobicContact CZ-CB 4Å; F71-N442 HydrophobicContact CE1-CB 4.19Å; F71-D446 HydrophobicContact CE1-CB 3.82Å; F71-D446 HydrophobicContact CZ-CB 3.93Å; F71-V447 HydrophobicContact CZ-CG2 3.91Å; F71-F450 HydrophobicContact CD2-CB 4.46Å; F71-F450 HydrophobicContact CD2-CD2 4.08Å; F71-F450 HydrophobicContact CD2-CG 4.12Å; F71-F450 HydrophobicContact CE2-CB 3.59Å; F71-F450 HydrophobicContact CE2-CD1 4.05Å; F71-F450 HydrophobicContact CE2-CD2 4.02Å; F71-F450 AromaticContact CE2-CG 3.6Å; F71-F450 HydrophobicContact CE2-CG 3.6Å; F71-F450 HydrophobicContact CZ-CB 4.2Å
72L98.8Very high97.8Very high29 Ų2943.7 Ų43.715%0.15222%0.221CC..BIsolated β-bridgetrans-112.216.9-178.9-164.655000113.5Y70 N74 S75 L76 V424 D426Y70-L72 HydrophobicContact CE1-CB 4Å; L72-N74 PolarHBondContact O-N 3.21Å; L72-N74 VanDerWaalsContact O-N 3.15Å; L72-S75 PolarHBondContact O-N 3.18Å; L72-L76 PolarHBondContact O-N 3.35Å; L72-V424 HydrophobicContact CB-CG1 3.94Å; L72-V424 HydrophobicContact CD2-CG1 3.81Å; L72-V424 PolarHBondContact N-O 3.36Å; L72-D426 HydrophobicContact CD1-CB 3.74Å
73G98.8Very high97.9Very high0 Ų043.2 Ų43.20%022%0.218CC..THydrogen-bonded Turntrans-60.8-22177.800000114.7S75 K276 Y277 Y441G73-S75 PolarHBondContact O-N 2.75Å; G73-K276 CarbonylContact O-C 3.35Å; G73-Y277 PolarHBondContact O-N 2.88Å; G73-Y441 WeakPolarHBondContact CA-OH 3.46Å
74N98.6Very high98.1Very high0 Ų043.7 Ų43.70%022%0.215CC..THydrogen-bonded Turntrans-72.8-8.6172.665.6-33.4000113.8L72 H253 K276 Y277 Q402 A436L72-N74 PolarHBondContact O-N 3.21Å; L72-N74 VanDerWaalsContact O-N 3.15Å; N74-H253 PolarHBondContact O-CE1 2.92Å; N74-H253 PolarHBondContact O-ND1 3.01Å; N74-K276 VanDerWaalsContact O-CD 3.29Å; N74-K276 WeakPolarHBondContact O-CD 3.21Å; N74-K276 WeakPolarHBondContact O-CG 3.44Å; N74-Y277 HydrophobicContact CB-CE1 3.96Å; N74-Y277 HydrophobicContact CB-CE2 3.99Å; N74-Y277 VanDerWaalsContact CB-CZ 3.45Å; N74-Y277 VanDerWaalsContact CB-OH 3.22Å; N74-Y277 WeakPolarHBondContact CB-OH 3.24Å; N74-Q402 PolarHBondContact ND2-OE1 3.1Å; N74-A436 HydrophobicContact CB-CB 3.6Å; N74-A436 VanDerWaalsContact CG-CB 3.44Å
75S98.3Very high98.6Very high41 Ų4141 Ų4129%0.28721%0.208SC..THydrogen-bonded Turntrans-116.5-51.1178-165.30000111.1L72 G73 Y275 K276L72-S75 PolarHBondContact O-N 3.18Å; G73-S75 PolarHBondContact O-N 2.75Å; S75-Y275 WeakPolarHBondContact O-CD2 3.43Å; S75-K276 WeakPolarHBondContact O-CG 3.33Å
76L98.8Very high98.7Very high62 Ų6236.6 Ų36.633%0.32518%0.182SC..SBendtrans-136.6112172.9-171.8-84.3000108.4Y70 L72 Y275 A282Y70-L76 WeakPolarHBondContact CE1-O 3.49Å; Y70-L76 PolarHBondContact OH-O 3.41Å; Y70-L76 VanDerWaalsContact OH-O 3.05Å; L72-L76 PolarHBondContact O-N 3.35Å; L76-Y275 WeakPolarHBondContact CA-O 3.38Å; L76-A282 HydrophobicContact CD2-CB 4.43Å
77G98.9Very high98.8Very high3 Ų335.9 Ų35.93%0.03118%0.18CC..PPolyproline II helixtrans-69.4142.7178.100000112.4Y275 K276 N279G77-Y275 PolarHBondContact N-O 3.03Å; G77-K276 VanDerWaalsContact CA-O 3.29Å; G77-K276 WeakPolarHBondContact CA-O 3.34Å; G77-K276 PolarHBondContact N-O 3.49Å; G77-N279 WeakPolarHBondContact CA-OD1 3.33Å
78L98.9Very high98.8Very high9 Ų937.4 Ų37.45%0.04719%0.186CC..PPolyproline II helixtrans-62.4148.3178-69.4-175000111.5F46 I48 P49 Y70 P80 N279 Y441F46-L78 HydrophobicContact CB-CB 4.32Å; F46-L78 HydrophobicContact CD1-CB 4.07Å; F46-L78 WeakPolarHBondContact CD1-O 3.28Å; I48-L78 HydrophobicContact CB-CD1 4.39Å; I48-L78 HydrophobicContact CG1-CD1 3.92Å; I48-L78 HydrophobicContact CG2-CD1 4.42Å; P49-L78 HydrophobicContact CG-CD2 4.35Å; Y70-L78 HydrophobicContact CD1-CD1 4.23Å; Y70-L78 HydrophobicContact CD1-CD2 3.64Å; Y70-L78 HydrophobicContact CD1-CG 3.76Å; Y70-L78 HydrophobicContact CD2-CD2 3.89Å; Y70-L78 HydrophobicContact CE1-CD2 3.67Å; Y70-L78 HydrophobicContact CE1-CG 4Å; Y70-L78 HydrophobicContact CE2-CD2 3.91Å; Y70-L78 HydrophobicContact CG-CD1 4.33Å; Y70-L78 HydrophobicContact CG-CD2 3.75Å; Y70-L78 HydrophobicContact CG-CG 4.19Å; L78-P80 WeakPolarHBondContact O-CD 3.21Å; L78-N279 WeakPolarHBondContact O-CB 3.49Å; L78-Y441 HydrophobicContact CB-CD1 4.32Å; L78-Y441 HydrophobicContact CB-CE1 3.95Å; L78-Y441 HydrophobicContact CB-CE2 4.33Å; L78-Y441 HydrophobicContact CD1-CD1 4.5Å; L78-Y441 HydrophobicContact CD1-CD2 3.59Å; L78-Y441 HydrophobicContact CD1-CE2 3.62Å; L78-Y441 HydrophobicContact CD1-CG 4.03Å; L78-Y441 HydrophobicContact CG-CD2 4.22Å; L78-Y441 HydrophobicContact CG-CE1 4.3Å; L78-Y441 HydrophobicContact CG-CE2 3.77Å; L78-Y441 PolarHBondContact N-OH 3.13Å
79Q98.9Very high98.8Very high93 Ų9340.7 Ų40.744%0.43520%0.201SC..PPolyproline II helixtrans-71.3124.5-176.3-178.3-175.4-4.800111.8F46 Y47 V83F46-Q79 WeakPolarHBondContact CA-O 3.47Å; Y47-Q79 HydrophobicContact CD2-CB 4.27Å; Y47-Q79 HydrophobicContact CD2-CG 4.1Å; Y47-Q79 PolarHBondContact N-O 2.98Å; Q79-V83 HydrophobicContact CG-CB 4.27Å; Q79-V83 HydrophobicContact CG-CG2 4.21Å
80P98.9Very high98.8Very high1 Ų140.6 Ų40.61%0.00620%0.2CC..BIsolated β-bridgetrans-62133.7165.5-19.930.6000111.4C45 F46 L78 M82 V83 N279 I348C45-P80 CarbonylContact O-C 3.52Å; C45-P80 WeakPolarHBondContact O-CA 3.39Å; F46-P80 HydrophobicContact CD1-CG 4.44Å; F46-P80 HydrophobicContact CE1-CB 4.45Å; F46-P80 HydrophobicContact CE1-CG 3.96Å; L78-P80 WeakPolarHBondContact O-CD 3.21Å; P80-M82 PolarHBondContact O-N 2.94Å; P80-M82 VanDerWaalsContact O-N 3.07Å; P80-V83 HydrophobicContact CB-CG2 4.02Å; P80-V83 HydrophobicContact CG-CG2 4.07Å; P80-V83 WeakPolarHBondContact O-CB 3.34Å; P80-V83 WeakPolarHBondContact O-CG2 3.49Å; P80-V83 PolarHBondContact O-N 2.69Å; P80-N279 VanDerWaalsContact CD-O 3.32Å; P80-N279 WeakPolarHBondContact CD-O 3.45Å; P80-N279 HydrophobicContact CG-CB 4.17Å; P80-I348 HydrophobicContact CB-CD1 3.79Å; P80-I348 HydrophobicContact CG-CD1 4.27Å
81K98.9Very high98.8Very high67 Ų6743 Ų4329%0.29121%0.214SC..THydrogen-bonded Turntrans-57.8-27.9-178.9-69-177.4-177.3167.10113E44 C45 F46 Y47 V83E44-K81 VanDerWaalsContact O-CD 3.3Å; E44-K81 WeakPolarHBondContact O-CD 3.47Å; E44-K81 WeakPolarHBondContact O-CE 3.19Å; E44-K81 PolarHBondContact O-NZ 2.98Å; C45-K81 PolarHBondContact O-N 3.47Å; F46-K81 WeakPolarHBondContact O-CE 3.3Å; Y47-K81 HydrophobicContact CD1-CG 4.11Å; Y47-K81 HydrophobicContact CD2-CG 4.05Å; Y47-K81 HydrophobicContact CE1-CD 4.38Å; Y47-K81 HydrophobicContact CE1-CG 3.93Å; Y47-K81 HydrophobicContact CE2-CB 4.1Å; Y47-K81 HydrophobicContact CE2-CG 3.88Å; Y47-K81 HydrophobicContact CG-CG 4.17Å; K81-V83 VanDerWaalsContact C-N 3.34Å; K81-V83 PolarHBondContact O-N 2.97Å
82M98.9Very high98.8Very high98 Ų9848.2 Ų48.248%0.48324%0.242SC..THydrogen-bonded Turntrans-79.4-7.9-179.9-65.8-64.294.600114.9P80 K84 T85 Y86 A344P80-M82 PolarHBondContact O-N 2.94Å; P80-M82 VanDerWaalsContact O-N 3.07Å; M82-K84 VanDerWaalsContact C-N 3.26Å; M82-K84 PolarHBondContact O-N 3.14Å; M82-T85 PolarHBondContact O-N 3.34Å; M82-Y86 HydrophobicContact CB-CD1 4.12Å; M82-Y86 HydrophobicContact CB-CE1 4.09Å; M82-Y86 VanDerWaalsContact O-CD1 3.25Å; M82-Y86 WeakPolarHBondContact O-CD1 3.48Å; M82-Y86 PolarHBondContact O-N 2.98Å; M82-A344 HydrophobicContact CB-CB 4.24Å
83V98.9Very high98.8Very high13 Ų1348 Ų488%0.07924%0.24CC..Hα-helixtrans-54.8-44.7178.8168.40000111.2Q79 P80 K81 Y86 L87 A344Q79-V83 HydrophobicContact CG-CB 4.27Å; Q79-V83 HydrophobicContact CG-CG2 4.21Å; P80-V83 HydrophobicContact CB-CG2 4.02Å; P80-V83 HydrophobicContact CG-CG2 4.07Å; P80-V83 WeakPolarHBondContact O-CB 3.34Å; P80-V83 WeakPolarHBondContact O-CG2 3.49Å; P80-V83 PolarHBondContact O-N 2.69Å; K81-V83 VanDerWaalsContact C-N 3.34Å; K81-V83 PolarHBondContact O-N 2.97Å; V83-Y86 PolarHBondContact O-N 3.04Å; V83-L87 HydrophobicContact CG1-CD1 3.8Å; V83-L87 HydrophobicContact CG1-CG 4.45Å; V83-L87 WeakPolarHBondContact O-CG 3.43Å; V83-L87 PolarHBondContact O-N 2.8Å; V83-A344 HydrophobicContact CG2-CB 3.92Å
84K98.9Very high98.8Very high121 Ų12155.7 Ų55.753%0.52627%0.269SS..Hα-helixtrans-60.1-49.1179.6179177169179.80111.5M82 Y86 L87 E88M82-K84 VanDerWaalsContact C-N 3.26Å; M82-K84 PolarHBondContact O-N 3.14Å; K84-Y86 VanDerWaalsContact C-N 3.31Å; K84-Y86 PolarHBondContact O-N 3.05Å; K84-L87 WeakPolarHBondContact O-CB 3.4Å; K84-L87 PolarHBondContact O-N 2.9Å; K84-E88 WeakPolarHBondContact CE-OE1 3.4Å; K84-E88 HydrophobicContact CG-CG 4.41Å; K84-E88 IonicContact NZ-OE1 2.62Å; K84-E88 WeakPolarHBondContact O-CG 3.3Å; K84-E88 PolarHBondContact O-N 3.36Å
85T98.9Very high98.9Very high56 Ų5660 Ų6034%0.34430%0.304SS..Hα-helixtrans-58.6-43.3179-54.90000111.7M82 L87 E88 E89M82-T85 PolarHBondContact O-N 3.34Å; T85-L87 VanDerWaalsContact C-N 3.32Å; T85-L87 PolarHBondContact O-N 3.32Å; T85-E88 PolarHBondContact O-N 3.32Å; T85-E89 WeakPolarHBondContact O-CG 3.4Å; T85-E89 PolarHBondContact O-N 3.34Å
86Y98.9Very high98.9Very high31 Ų3166.7 Ų66.712%0.12233%0.328CS..Hα-helixtrans-69.6-30.8-178.9-81.549.3000112.2M82 V83 K84 C340 H343 A344M82-Y86 HydrophobicContact CB-CD1 4.12Å; M82-Y86 HydrophobicContact CB-CE1 4.09Å; M82-Y86 VanDerWaalsContact O-CD1 3.25Å; M82-Y86 WeakPolarHBondContact O-CD1 3.48Å; M82-Y86 PolarHBondContact O-N 2.98Å; V83-Y86 PolarHBondContact O-N 3.04Å; K84-Y86 VanDerWaalsContact C-N 3.31Å; K84-Y86 PolarHBondContact O-N 3.05Å; Y86-C340 PolarHBondContact O-SG 3.47Å; Y86-H343 HydrophobicContact CD2-CB 3.97Å; Y86-H343 AromaticContact CD2-CG 3.84Å; Y86-H343 HydrophobicContact CE2-CB 4.15Å; Y86-H343 AromaticContact CE2-CD2 3.51Å; Y86-H343 AromaticContact CE2-CG 3.59Å; Y86-H343 AromaticContact CE2-ND1 3.93Å; Y86-H343 AromaticContact CE2-NE2 3.73Å; Y86-A344 HydrophobicContact CD1-CB 4.36Å; Y86-A344 HydrophobicContact CD2-CB 4.11Å; Y86-A344 HydrophobicContact CG-CB 4.04Å
87L98.9Very high98.9Very high49 Ų4966.3 Ų66.326%0.25733%0.326SS..Hα-helixtrans-69.3-47.2170.9-72164.4000111V83 K84 T85 E89 E90 L91 L337 C340V83-L87 HydrophobicContact CG1-CD1 3.8Å; V83-L87 HydrophobicContact CG1-CG 4.45Å; V83-L87 WeakPolarHBondContact O-CG 3.43Å; V83-L87 PolarHBondContact O-N 2.8Å; K84-L87 WeakPolarHBondContact O-CB 3.4Å; K84-L87 PolarHBondContact O-N 2.9Å; T85-L87 VanDerWaalsContact C-N 3.32Å; T85-L87 PolarHBondContact O-N 3.32Å; L87-E89 VanDerWaalsContact C-N 3.29Å; L87-E89 PolarHBondContact O-N 3Å; L87-E90 PolarHBondContact O-N 3.14Å; L87-E90 VanDerWaalsContact O-N 3.11Å; L87-L91 WeakPolarHBondContact O-CG 3.44Å; L87-L91 PolarHBondContact O-N 3.37Å; L87-L337 HydrophobicContact CD2-CB 3.96Å; L87-L337 HydrophobicContact CD2-CD2 4.03Å; L87-C340 HydrophobicContact CD2-CB 3.86Å; L87-C340 HydrophobicContact CG-CB 4.16Å
88E98.9Very high98.9Very high81 Ų8168.6 Ų68.638%0.37935%0.345SS..Hα-helixtrans-56.3-41.2178.1-73.8171.1154.700111.7K84 T85 E90 L91 D92K84-E88 WeakPolarHBondContact CE-OE1 3.4Å; K84-E88 HydrophobicContact CG-CG 4.41Å; K84-E88 IonicContact NZ-OE1 2.62Å; K84-E88 WeakPolarHBondContact O-CG 3.3Å; K84-E88 PolarHBondContact O-N 3.36Å; T85-E88 PolarHBondContact O-N 3.32Å; E88-E90 VanDerWaalsContact C-N 3.3Å; E88-E90 PolarHBondContact O-N 3.07Å; E88-L91 PolarHBondContact O-N 3.13Å; E88-D92 VanDerWaalsContact O-CB 3.25Å; E88-D92 WeakPolarHBondContact O-CB 3.41Å; E88-D92 VanDerWaalsContact O-CG 3.23Å; E88-D92 PolarHBondContact O-N 3.05Å
89E98.9Very high98.9Very high71 Ų7171.4 Ų71.433%0.33237%0.37SS..Hα-helixtrans-52.5-44.9174.9-73.7173.8177.300113T85 L87 K93 R107T85-E89 WeakPolarHBondContact O-CG 3.4Å; T85-E89 PolarHBondContact O-N 3.34Å; L87-E89 VanDerWaalsContact C-N 3.29Å; L87-E89 PolarHBondContact O-N 3Å; E89-K93 WeakPolarHBondContact O-CB 3.47Å; E89-K93 PolarHBondContact O-N 2.95Å; E89-K93 VanDerWaalsContact O-N 3.16Å; E89-R107 IonicContact OE2-CZ 3.94Å; E89-R107 IonicContact OE2-NH1 3.73Å; E89-R107 PolarHBondContact OE2-NH1 2.94Å; E89-R107 IonicContact OE2-NH2 2.82Å; E89-R107 PolarHBondContact OE2-NH2 2.95Å
90E98.9Very high98.8Very high6 Ų675.1 Ų75.13%0.02838%0.381CS..Hα-helixtrans-85.2-30.7-177.3-59.5-57.5147.200112.6L87 E88 K93 W94 R107 W109 I336 C340L87-E90 PolarHBondContact O-N 3.14Å; L87-E90 VanDerWaalsContact O-N 3.11Å; E88-E90 VanDerWaalsContact C-N 3.3Å; E88-E90 PolarHBondContact O-N 3.07Å; E90-K93 PolarHBondContact O-N 2.98Å; E90-K93 WeakPolarHBondContact OE2-CE 3.29Å; E90-K93 IonicContact OE2-NZ 3.75Å; E90-K93 PolarHBondContact OE2-NZ 3.13Å; E90-W94 WeakPolarHBondContact O-CB 3.27Å; E90-W94 PolarHBondContact O-N 3.46Å; E90-R107 WeakPolarHBondContact OE1-CB 3.42Å; E90-R107 IonicContact OE1-CZ 2.8Å; E90-R107 IonicContact OE1-NH1 3.79Å; E90-R107 PolarHBondContact OE1-NH1 2.85Å; E90-W109 PolarHBondContact OE2-NE1 3.11Å; E90-I336 HydrophobicContact CB-CG1 4.16Å; E90-I336 HydrophobicContact CG-CD1 4.24Å; E90-I336 HydrophobicContact CG-CG1 3.83Å; E90-C340 WeakPolarHBondContact CG-SG 3.38Å
91L98.9Very high98.8Very high73 Ų7375 Ų7538%0.38238%0.38SS..Hα-helixtrans-64.7-42.8171.2-68.4175.5000111.1L87 E88 W94 A95 L337L87-L91 WeakPolarHBondContact O-CG 3.44Å; L87-L91 PolarHBondContact O-N 3.37Å; E88-L91 PolarHBondContact O-N 3.13Å; L91-W94 HydrophobicContact CD2-CE3 4.23Å; L91-W94 PolarHBondContact O-N 3.33Å; L91-A95 WeakPolarHBondContact O-CB 3.34Å; L91-A95 PolarHBondContact O-N 3.37Å; L91-L337 HydrophobicContact CD2-CD2 4.19Å
92D98.9Very high98.8Very high109 Ų10975.8 Ų75.858%0.58339%0.385SS*.Hα-helixtrans-64.9-42.8175.6-75.4-12000111E88 W94 A95 K96E88-D92 VanDerWaalsContact O-CB 3.25Å; E88-D92 WeakPolarHBondContact O-CB 3.41Å; E88-D92 VanDerWaalsContact O-CG 3.23Å; E88-D92 PolarHBondContact O-N 3.05Å; D92-W94 VanDerWaalsContact C-N 3.32Å; D92-W94 PolarHBondContact O-N 2.92Å; D92-A95 PolarHBondContact O-N 3.22Å; D92-K96 WeakPolarHBondContact O-CB 3.25Å; D92-K96 PolarHBondContact O-N 3.27Å
93K98.8Very high98.8Very high25 Ų2577.8 Ų77.811%0.10939%0.393CS..Hα-helixtrans-60.3-44.4173.9-168.6175.674.4-1750110.9E89 E90 K96 I97 G101 V104 R107 W109E89-K93 WeakPolarHBondContact O-CB 3.47Å; E89-K93 PolarHBondContact O-N 2.95Å; E89-K93 VanDerWaalsContact O-N 3.16Å; E90-K93 PolarHBondContact O-N 2.98Å; E90-K93 WeakPolarHBondContact OE2-CE 3.29Å; E90-K93 IonicContact OE2-NZ 3.75Å; E90-K93 PolarHBondContact OE2-NZ 3.13Å; K93-K96 PolarHBondContact O-N 3.26Å; K93-I97 HydrophobicContact CD-CD1 4.27Å; K93-I97 HydrophobicContact CG-CD1 3.68Å; K93-I97 HydrophobicContact CG-CG1 3.75Å; K93-I97 WeakPolarHBondContact O-CG1 3.3Å; K93-I97 PolarHBondContact O-N 3.1Å; K93-G101 PolarHBondContact NZ-O 3.2Å; K93-V104 PolarHBondContact NZ-O 3.1Å; K93-V104 VanDerWaalsContact NZ-O 3.09Å; K93-R107 PolarHBondContact NZ-O 2.98Å; K93-W109 VanDerWaalsContact CE-CE2 3.4Å; K93-W109 VanDerWaalsContact NZ-NE1 3.13Å
94W98.8Very high98.8Very high160 Ų16080.3 Ų80.361%0.60641%0.408SS*.Hα-helixtrans-61.8-47.9177.3-179.325.1000112E90 L91 D92 K96 A98 W109E90-W94 WeakPolarHBondContact O-CB 3.27Å; E90-W94 PolarHBondContact O-N 3.46Å; L91-W94 HydrophobicContact CD2-CE3 4.23Å; L91-W94 PolarHBondContact O-N 3.33Å; D92-W94 VanDerWaalsContact C-N 3.32Å; D92-W94 PolarHBondContact O-N 2.92Å; W94-K96 VanDerWaalsContact C-N 3.32Å; W94-K96 PolarHBondContact O-N 3.3Å; W94-A98 VanDerWaalsContact O-CA 3.24Å; W94-A98 WeakPolarHBondContact O-CA 3.46Å; W94-A98 PolarHBondContact O-N 3.19Å; W94-W109 HydrophobicContact CB-CH2 3.79Å; W94-W109 HydrophobicContact CB-CZ2 3.88Å; W94-W109 AromaticContact CD1-CH2 3.95Å; W94-W109 HydrophobicContact CG-CH2 4.09Å
95A98.8Very high98.8Very high90 Ų9077.2 Ų77.274%0.74441%0.41SS*.Hα-helixtrans-61.8-39.3177.600000112.5L91 D92L91-A95 WeakPolarHBondContact O-CB 3.34Å; L91-A95 PolarHBondContact O-N 3.37Å; D92-A95 PolarHBondContact O-N 3.22Å
96K98.8Very high98.7Very high182 Ų18280.1 Ų80.179%0.79142%0.418SS*.Hα-helixtrans-81.3-41.4-172.9-169.5177.1-177.8174.70113.8D92 K93 W94D92-K96 WeakPolarHBondContact O-CB 3.25Å; D92-K96 PolarHBondContact O-N 3.27Å; K93-K96 PolarHBondContact O-N 3.26Å; W94-K96 VanDerWaalsContact C-N 3.32Å; W94-K96 PolarHBondContact O-N 3.3Å
97I98.8Very high98.7Very high54 Ų5478.7 Ų78.728%0.27741%0.413SS..Hα-helixtrans-131.71.6-169.765166.3000114.3K93 A99 Y100 V104K93-I97 HydrophobicContact CD-CD1 4.27Å; K93-I97 HydrophobicContact CG-CD1 3.68Å; K93-I97 HydrophobicContact CG-CG1 3.75Å; K93-I97 WeakPolarHBondContact O-CG1 3.3Å; K93-I97 PolarHBondContact O-N 3.1Å; I97-A99 PolarHBondContact O-N 3.14Å; I97-Y100 WeakPolarHBondContact O-CB 3.27Å; I97-Y100 VanDerWaalsContact O-CD2 3.29Å; I97-Y100 WeakPolarHBondContact O-CD2 3.37Å; I97-Y100 PolarHBondContact O-N 2.94Å; I97-Y100 VanDerWaalsContact O-N 3.1Å; I97-V104 HydrophobicContact CD1-CG2 3.32Å
98A98.8Very high98.7Very high51 Ų5177.7 Ų77.742%0.42141%0.409SS..G310 helixtrans44.7-121.9174.400000113.2W94 Y100 G101 W109W94-A98 VanDerWaalsContact O-CA 3.24Å; W94-A98 WeakPolarHBondContact O-CA 3.46Å; W94-A98 PolarHBondContact O-N 3.19Å; A98-Y100 PolarHBondContact O-N 3.08Å; A98-Y100 VanDerWaalsContact O-N 3.13Å; A98-G101 PolarHBondContact O-N 3.35Å; A98-W109 WeakPolarHBondContact O-CH2 3.1Å; A98-W109 WeakPolarHBondContact O-CZ3 3.39Å
99A98.6Very high98.7Very high69 Ų6975.2 Ų75.257%0.5740%0.396SS*.G310 helixtrans-56.3-30.1-175.400000114.1I97 G101 H102I97-A99 PolarHBondContact O-N 3.14Å; A99-G101 PolarHBondContact O-N 3.28Å; A99-G101 VanDerWaalsContact O-N 3.14Å; A99-H102 VanDerWaalsContact O-CB 3.3Å; A99-H102 WeakPolarHBondContact O-CB 3.3Å; A99-H102 PolarHBondContact O-CD2 3.42Å; A99-H102 VanDerWaalsContact O-CD2 3.22Å; A99-H102 PolarHBondContact O-N 3.04Å
100Y98.8Very high98.7Very high170 Ų17072.6 Ų72.667%0.66739%0.385SS*.G310 helixtrans-62.9-21.6177.3-62.1-71.2000112.3I97 A98 H102 E103 V104I97-Y100 WeakPolarHBondContact O-CB 3.27Å; I97-Y100 VanDerWaalsContact O-CD2 3.29Å; I97-Y100 WeakPolarHBondContact O-CD2 3.37Å; I97-Y100 PolarHBondContact O-N 2.94Å; I97-Y100 VanDerWaalsContact O-N 3.1Å; A98-Y100 PolarHBondContact O-N 3.08Å; A98-Y100 VanDerWaalsContact O-N 3.13Å; Y100-H102 PolarHBondContact O-N 3.36Å; Y100-H102 VanDerWaalsContact O-N 3.11Å; Y100-E103 PolarHBondContact O-N 3.43Å; Y100-V104 WeakPolarHBondContact O-CG2 3.37Å; Y100-V104 PolarHBondContact O-N 3.27Å
101G98.8Very high98.7Very high0 Ų073.7 Ų73.70%039%0.392CS..G310 helixtrans-59.7-18173.100000114.4K93 A98 A99 E103 W109K93-G101 PolarHBondContact NZ-O 3.2Å; A98-G101 PolarHBondContact O-N 3.35Å; A99-G101 PolarHBondContact O-N 3.28Å; A99-G101 VanDerWaalsContact O-N 3.14Å; G101-E103 PolarHBondContact O-N 3.24Å; G101-W109 VanDerWaalsContact C-CD2 3.48Å; G101-W109 VanDerWaalsContact C-CE3 3.49Å; G101-W109 PolarHBondContact O-N 3.03Å
102H98.8Very high98.7Very high83 Ų8370.2 Ų70.238%0.38437%0.374SS..G310 helixtrans-58.9-34.9171.3-80.7-58.3000113.1A99 Y100 P108 W109 I110A99-H102 VanDerWaalsContact O-CB 3.3Å; A99-H102 WeakPolarHBondContact O-CB 3.3Å; A99-H102 PolarHBondContact O-CD2 3.42Å; A99-H102 VanDerWaalsContact O-CD2 3.22Å; A99-H102 PolarHBondContact O-N 3.04Å; Y100-H102 PolarHBondContact O-N 3.36Å; Y100-H102 VanDerWaalsContact O-N 3.11Å; H102-P108 CarbonylContact O-C 3.49Å; H102-P108 WeakPolarHBondContact O-CB 3.38Å; H102-W109 AromaticContact CE1-CE3 4Å; H102-W109 AromaticContact ND1-CE3 3.83Å; H102-W109 PolarHBondContact O-N 3.48Å; H102-W109 VanDerWaalsContact O-N 3.1Å; H102-I110 HydrophobicContact CB-CD1 3.86Å; H102-I110 HydrophobicContact CB-CG1 3.9Å; H102-I110 WeakPolarHBondContact O-CG1 3.45Å; H102-I110 PolarHBondContact O-N 3.24Å; H102-I110 VanDerWaalsContact O-N 3.13Å
103E98.6Very high98.7Very high139 Ų13965.2 Ų65.265%0.6535%0.347SS*.THydrogen-bonded Turntrans-113.4-15.5-167.9-63.9178.4154.100113.6Y100 G101 I110Y100-E103 PolarHBondContact O-N 3.43Å; G101-E103 PolarHBondContact O-N 3.24Å; E103-I110 HydrophobicContact CG-CD1 3.91Å
104V98.4Very high98.7Very high67 Ų6767.4 Ų67.441%0.40636%0.357SS..SBendtrans-125.9167.1-171.7-49.10000114.6K93 I97 Y100K93-V104 PolarHBondContact NZ-O 3.1Å; K93-V104 VanDerWaalsContact NZ-O 3.09Å; I97-V104 HydrophobicContact CD1-CG2 3.32Å; Y100-V104 WeakPolarHBondContact O-CG2 3.37Å; Y100-V104 PolarHBondContact O-N 3.27Å
105G98.1Very high98.7Very high55 Ų5562.2 Ų62.257%0.56735%0.345SS*.SBendtrans92.3-171.2175.700000113.1R107 P108G105-R107 VanDerWaalsContact C-N 3.28Å; G105-R107 PolarHBondContact O-N 3.28Å; G105-P108 WeakPolarHBondContact O-CD 3.47Å
106K98.3Very high98.7Very high118 Ų11858 Ų5851%0.51331%0.311SS..SBendtrans-63.1-35.1-179.2-173.8178.4176.5-173.40112.3
107R98.7Very high98.7Very high0 Ų049.8 Ų49.80%028%0.276CS..SBendtrans-129.878.8178.9-52.4172.8-161.372.74.1110.1E89 E90 K93 G105 W109 I336 H343E89-R107 IonicContact OE2-CZ 3.94Å; E89-R107 IonicContact OE2-NH1 3.73Å; E89-R107 PolarHBondContact OE2-NH1 2.94Å; E89-R107 IonicContact OE2-NH2 2.82Å; E89-R107 PolarHBondContact OE2-NH2 2.95Å; E90-R107 WeakPolarHBondContact OE1-CB 3.42Å; E90-R107 IonicContact OE1-CZ 2.8Å; E90-R107 IonicContact OE1-NH1 3.79Å; E90-R107 PolarHBondContact OE1-NH1 2.85Å; K93-R107 PolarHBondContact NZ-O 2.98Å; G105-R107 VanDerWaalsContact C-N 3.28Å; G105-R107 PolarHBondContact O-N 3.28Å; R107-W109 VanDerWaalsContact O-CD1 3.32Å; R107-W109 PolarHBondContact O-N 3.49Å; R107-I336 HydrophobicContact CB-CD1 3.86Å; R107-H343 PolarHBondContact NE-ND1 3.43Å
108P98.8Very high98.7Very high29 Ų2948.7 Ų48.719%0.18828%0.277CS..  trans-53.1126172.2-24.936000109.6H102 G105 I110 T111 G112H102-P108 CarbonylContact O-C 3.49Å; H102-P108 WeakPolarHBondContact O-CB 3.38Å; G105-P108 WeakPolarHBondContact O-CD 3.47Å; P108-I110 PolarHBondContact O-N 3.4Å; P108-I110 VanDerWaalsContact O-N 3.14Å; P108-T111 CarbonylContact O-C 3.56Å; P108-T111 VanDerWaalsContact O-C 3.29Å; P108-T111 PolarHBondContact O-N 3.41Å; P108-G112 WeakPolarHBondContact O-CA 3.33Å; P108-G112 PolarHBondContact O-N 2.71Å
109W98.9Very high98.7Very high28 Ų2847.8 Ų47.811%0.10627%0.265CS..G310 helixtrans-66.6-21.4-167.8-51.7-30.4000113.7E90 K93 W94 A98 G101 H102 R107 T111 P334 I336E90-W109 PolarHBondContact OE2-NE1 3.11Å; K93-W109 VanDerWaalsContact CE-CE2 3.4Å; K93-W109 VanDerWaalsContact NZ-NE1 3.13Å; W94-W109 HydrophobicContact CB-CH2 3.79Å; W94-W109 HydrophobicContact CB-CZ2 3.88Å; W94-W109 AromaticContact CD1-CH2 3.95Å; W94-W109 HydrophobicContact CG-CH2 4.09Å; A98-W109 WeakPolarHBondContact O-CH2 3.1Å; A98-W109 WeakPolarHBondContact O-CZ3 3.39Å; G101-W109 VanDerWaalsContact C-CD2 3.48Å; G101-W109 VanDerWaalsContact C-CE3 3.49Å; G101-W109 PolarHBondContact O-N 3.03Å; H102-W109 AromaticContact CE1-CE3 4Å; H102-W109 AromaticContact ND1-CE3 3.83Å; H102-W109 PolarHBondContact O-N 3.48Å; H102-W109 VanDerWaalsContact O-N 3.1Å; R107-W109 VanDerWaalsContact O-CD1 3.32Å; R107-W109 PolarHBondContact O-N 3.49Å; W109-T111 VanDerWaalsContact C-N 3.27Å; W109-T111 PolarHBondContact O-N 2.94Å; W109-P334 WeakPolarHBondContact O-CG 3.49Å; W109-I336 HydrophobicContact CG-CB 4.31Å; W109-I336 HydrophobicContact CG-CG1 4.27Å
110I98.8Very high98.7Very high16 Ų1644.5 Ų44.58%0.08224%0.238CC..G310 helixtrans-65.6-32.2173.1-66.6166.3000111.8H102 E103 P108 F306 L310 F314H102-I110 HydrophobicContact CB-CD1 3.86Å; H102-I110 HydrophobicContact CB-CG1 3.9Å; H102-I110 WeakPolarHBondContact O-CG1 3.45Å; H102-I110 PolarHBondContact O-N 3.24Å; H102-I110 VanDerWaalsContact O-N 3.13Å; E103-I110 HydrophobicContact CG-CD1 3.91Å; P108-I110 PolarHBondContact O-N 3.4Å; P108-I110 VanDerWaalsContact O-N 3.14Å; I110-F306 HydrophobicContact CG2-CZ 4.44Å; I110-F306 VanDerWaalsContact O-CE1 3.3Å; I110-F306 WeakPolarHBondContact O-CE1 3.44Å; I110-L310 HydrophobicContact CG2-CD1 3.46Å; I110-L310 VanDerWaalsContact CG2-CD1 3.46Å; I110-F314 HydrophobicContact CD1-CE1 4.32Å; I110-F314 HydrophobicContact CD1-CE2 3.74Å; I110-F314 HydrophobicContact CD1-CZ 3.46Å; I110-F314 VanDerWaalsContact CD1-CZ 3.46Å; I110-F314 HydrophobicContact CG1-CE2 4.31Å; I110-F314 HydrophobicContact CG1-CZ 3.81Å; I110-F314 HydrophobicContact CG2-CE2 3.92Å; I110-F314 HydrophobicContact CG2-CZ 4.08Å
111T98.8Very high98.7Very high30 Ų3039.8 Ų39.818%0.18422%0.221CC..G310 helixtrans-122.428.5-177.559.60000110.8P108 W109 D113 E114 S115 L310P108-T111 CarbonylContact O-C 3.56Å; P108-T111 VanDerWaalsContact O-C 3.29Å; P108-T111 PolarHBondContact O-N 3.41Å; W109-T111 VanDerWaalsContact C-N 3.27Å; W109-T111 PolarHBondContact O-N 2.94Å; T111-D113 VanDerWaalsContact C-N 3.32Å; T111-D113 PolarHBondContact O-N 3.49Å; T111-E114 PolarHBondContact O-N 2.95Å; T111-S115 WeakPolarHBondContact O-CB 3.29Å; T111-S115 PolarHBondContact O-N 3.14Å; T111-L310 HydrophobicContact CG2-CD2 3.64Å
112G98.8Very high98.7Very high0 Ų046.6 Ų46.60%026%0.258CS..THydrogen-bonded Turntrans-61.5-43.1-172.600000111.9P108 S115 V339P108-G112 WeakPolarHBondContact O-CA 3.33Å; P108-G112 PolarHBondContact O-N 2.71Å; G112-S115 PolarHBondContact O-N 2.97Å; G112-S115 PolarHBondContact O-OG 2.83Å; G112-V339 VanDerWaalsContact O-CG1 3.22Å; G112-V339 WeakPolarHBondContact O-CG1 3.41Å
113D98.8Very high98.7Very high3 Ų343 Ų432%0.01624%0.241CC..THydrogen-bonded Turntrans-62.3-49.2172.658.2-29.6000112.4T111 S115 I116 V117 L133 R330 P334T111-D113 VanDerWaalsContact C-N 3.32Å; T111-D113 PolarHBondContact O-N 3.49Å; D113-S115 PolarHBondContact O-N 3.18Å; D113-I116 WeakPolarHBondContact O-CG1 3.44Å; D113-I116 PolarHBondContact O-N 3.49Å; D113-V117 PolarHBondContact O-N 3.48Å; D113-V117 VanDerWaalsContact O-N 3.16Å; D113-L133 HydrophobicContact CB-CB 4.16Å; D113-L133 WeakPolarHBondContact CB-O 3.41Å; D113-R330 IonicContact OD1-NH1 3Å; D113-R330 VanDerWaalsContact OD2-CD 3.24Å; D113-R330 WeakPolarHBondContact OD2-CD 3.38Å; D113-R330 IonicContact OD2-CZ 3.57Å; D113-R330 IonicContact OD2-NE 2.92Å; D113-R330 IonicContact OD2-NH1 3.87Å; D113-R330 PolarHBondContact OD2-NH1 3.16Å; D113-P334 HydrophobicContact CB-CB 3.87Å; D113-P334 HydrophobicContact CB-CG 4.31Å; D113-P334 WeakPolarHBondContact OD1-CG 3.42Å
114E98.7Very high98.7Very high71 Ų7136.3 Ų36.333%0.33221%0.21SC..Hα-helixtrans-63.8-29179.3-67175.6-16600112.3T111 I116 V117 R330T111-E114 PolarHBondContact O-N 2.95Å; E114-I116 PolarHBondContact O-N 3.39Å; E114-V117 WeakPolarHBondContact O-CG1 3.18Å; E114-R330 IonicContact OE1-CZ 3.78Å; E114-R330 VanDerWaalsContact OE1-CZ 3.23Å; E114-R330 IonicContact OE1-NH1 3.68Å; E114-R330 PolarHBondContact OE1-NH1 2.98Å; E114-R330 IonicContact OE1-NH2 3.59Å; E114-R330 PolarHBondContact OE1-NH2 3.44Å
115S98.7Very high98.7Very high51 Ų5134.1 Ų34.136%0.35720%0.2SC..Hα-helixtrans-66-18.2179.475.60000114.1T111 G112 D113T111-S115 WeakPolarHBondContact O-CB 3.29Å; T111-S115 PolarHBondContact O-N 3.14Å; G112-S115 PolarHBondContact O-N 2.97Å; G112-S115 PolarHBondContact O-OG 2.83Å; D113-S115 PolarHBondContact O-N 3.18Å
116I98.9Very high98.8Very high2 Ų231.8 Ų31.81%0.0118%0.176CC..Hα-helixtrans-122-8.7-17868.2162000113.4D113 E114 G118 L119 L133 V339 L342 H343D113-I116 WeakPolarHBondContact O-CG1 3.44Å; D113-I116 PolarHBondContact O-N 3.49Å; E114-I116 PolarHBondContact O-N 3.39Å; I116-G118 PolarHBondContact O-N 3.42Å; I116-G118 VanDerWaalsContact O-N 3.14Å; I116-L119 HydrophobicContact CB-CD1 4.48Å; I116-L119 WeakPolarHBondContact O-CB 3.2Å; I116-L119 PolarHBondContact O-N 3.46Å; I116-L133 HydrophobicContact CD1-CD1 3.84Å; I116-L133 HydrophobicContact CG1-CD1 3.7Å; I116-V339 HydrophobicContact CD1-CB 4.48Å; I116-V339 HydrophobicContact CD1-CG1 3.71Å; I116-V339 HydrophobicContact CG1-CG1 4.06Å; I116-V339 HydrophobicContact CG2-CG1 4.16Å; I116-L342 HydrophobicContact CD1-CB 4.37Å; I116-L342 HydrophobicContact CD1-CD2 4.13Å; I116-L342 HydrophobicContact CD1-CG 4.15Å; I116-H343 HydrophobicContact CD1-CB 4.23Å; I116-H343 HydrophobicContact CG2-CB 3.91Å; I116-H343 WeakPolarHBondContact CG2-ND1 3.21Å
117V98.8Very high98.8Very high10 Ų1029.6 Ų29.66%0.06117%0.17CC..Hα-helixtrans-59.7-28.7-176.176.20000112.5D113 E114 L119 M120 E128 I131 L133D113-V117 PolarHBondContact O-N 3.48Å; D113-V117 VanDerWaalsContact O-N 3.16Å; E114-V117 WeakPolarHBondContact O-CG1 3.18Å; V117-L119 PolarHBondContact O-N 2.89Å; V117-M120 WeakPolarHBondContact O-CB 3.4Å; V117-M120 PolarHBondContact O-N 3Å; V117-E128 HydrophobicContact CG1-CB 4.17Å; V117-E128 HydrophobicContact CG1-CG 4.21Å; V117-I131 HydrophobicContact CG2-CB 3.67Å; V117-I131 HydrophobicContact CG2-CG2 3.55Å; V117-L133 HydrophobicContact CB-CD1 4.44Å; V117-L133 HydrophobicContact CG2-CG 4.4Å
118G98.7Very high98.8Very high30 Ų3033.9 Ų33.931%0.30919%0.19SC..G310 helixtrans-57.7-28.7174.200000113.9I116 M120 K121I116-G118 PolarHBondContact O-N 3.42Å; I116-G118 VanDerWaalsContact O-N 3.14Å; G118-M120 PolarHBondContact O-N 3.4Å; G118-K121 VanDerWaalsContact O-CD 3.25Å; G118-K121 WeakPolarHBondContact O-CD 3.37Å; G118-K121 VanDerWaalsContact O-CG 3.3Å; G118-K121 WeakPolarHBondContact O-CG 3.46Å; G118-K121 PolarHBondContact O-N 2.68Å
119L98.9Very high98.8Very high32 Ų3240.7 Ų40.717%0.16822%0.217CC..G310 helixtrans-73.3-13.4177.1-58.2174.7000113.2I116 V117 L346 E347 K350I116-L119 HydrophobicContact CB-CD1 4.48Å; I116-L119 WeakPolarHBondContact O-CB 3.2Å; I116-L119 PolarHBondContact O-N 3.46Å; V117-L119 PolarHBondContact O-N 2.89Å; L119-L346 HydrophobicContact CB-CB 3.78Å; L119-L346 HydrophobicContact CB-CD1 3.95Å; L119-L346 HydrophobicContact CB-CG 4.48Å; L119-L346 HydrophobicContact CD1-CB 3.78Å; L119-L346 HydrophobicContact CG-CB 4.42Å; L119-E347 HydrophobicContact CD1-CG 4.33Å; L119-K350 HydrophobicContact CD2-CB 4.29Å; L119-K350 HydrophobicContact CD2-CD 3.41Å; L119-K350 VanDerWaalsContact CD2-CD 3.41Å; L119-K350 HydrophobicContact CD2-CG 4.43Å
120M98.9Very high98.8Very high0 Ų039.4 Ų39.40%021%0.212CC..G310 helixtrans-87.8-18.4176.8-72.4-63.6-54.300113.5V117 G118 D122 I123 V124 I131 L133 V255 W272 L278 L346V117-M120 WeakPolarHBondContact O-CB 3.4Å; V117-M120 PolarHBondContact O-N 3Å; G118-M120 PolarHBondContact O-N 3.4Å; M120-D122 VanDerWaalsContact C-N 3.33Å; M120-D122 PolarHBondContact O-N 3.16Å; M120-I123 HydrophobicContact CE-CB 4.21Å; M120-I123 HydrophobicContact CE-CG2 4.06Å; M120-I123 WeakPolarHBondContact O-CA 3.35Å; M120-I123 WeakPolarHBondContact O-CB 3Å; M120-I123 PolarHBondContact O-N 3.18Å; M120-I123 HydrophobicContact SD-CD1 4.01Å; M120-V124 HydrophobicContact CE-CG1 3.86Å; M120-V124 WeakPolarHBondContact O-CG2 3.36Å; M120-V124 PolarHBondContact O-N 2.82Å; M120-I131 HydrophobicContact CB-CD1 4.09Å; M120-I131 HydrophobicContact CB-CG2 4.41Å; M120-L133 HydrophobicContact CG-CD1 4.44Å; M120-L133 HydrophobicContact CG-CD2 4.13Å; M120-V255 HydrophobicContact CE-CG2 3.95Å; M120-W272 HydrophobicContact CE-CZ2 3.76Å; M120-L278 HydrophobicContact CE-CD1 4.19Å; M120-L278 HydrophobicContact SD-CD1 4.36Å; M120-L346 HydrophobicContact CG-CD1 3.85Å; M120-L346 HydrophobicContact SD-CD1 3.7Å; M120-L346 HydrophobicContact SD-CD2 3.6Å; M120-L346 VanDerWaalsContact SD-CD2 3.6Å; M120-L346 HydrophobicContact SD-CG 4.32Å
121K98.8Very high98.8Very high72 Ų7238.8 Ų38.831%0.31321%0.208SC..Hα-helixtrans-52.5-49.6-171.8-64164.480.11640112.3G118 I123 G125 A126 E128G118-K121 VanDerWaalsContact O-CD 3.25Å; G118-K121 WeakPolarHBondContact O-CD 3.37Å; G118-K121 VanDerWaalsContact O-CG 3.3Å; G118-K121 WeakPolarHBondContact O-CG 3.46Å; G118-K121 PolarHBondContact O-N 2.68Å; K121-I123 VanDerWaalsContact C-N 3.29Å; K121-I123 PolarHBondContact O-N 3.24Å; K121-G125 WeakPolarHBondContact O-CA 3.49Å; K121-G125 PolarHBondContact O-N 3.3Å; K121-A126 WeakPolarHBondContact CA-O 3.47Å; K121-A126 PolarHBondContact O-N 2.87Å; K121-E128 HydrophobicContact CD-CG 3.6Å; K121-E128 WeakPolarHBondContact CD-OE1 3.4Å; K121-E128 HydrophobicContact CG-CG 3.88Å; K121-E128 IonicContact NZ-OE1 3.94Å; K121-E128 PolarHBondContact NZ-OE1 2.87Å
122D98.6Very high98.8Very high143 Ų14337.4 Ų37.477%0.76520%0.2SC*.Hα-helixtrans-78.4-15.7-177.9-59.7-20.3000112.6M120M120-D122 VanDerWaalsContact C-N 3.33Å; M120-D122 PolarHBondContact O-N 3.16Å
123I98.9Very high98.8Very high6 Ų637.5 Ų37.53%0.03120%0.201CC..Hα-helixtrans-80.7-39.1178.7-61.3176.8000110.6M120 K121 V255 L278 L346 F349 M354M120-I123 HydrophobicContact CE-CB 4.21Å; M120-I123 HydrophobicContact CE-CG2 4.06Å; M120-I123 WeakPolarHBondContact O-CA 3.35Å; M120-I123 WeakPolarHBondContact O-CB 3Å; M120-I123 PolarHBondContact O-N 3.18Å; M120-I123 HydrophobicContact SD-CD1 4.01Å; K121-I123 VanDerWaalsContact C-N 3.29Å; K121-I123 PolarHBondContact O-N 3.24Å; I123-V255 HydrophobicContact CG2-CG2 3.65Å; I123-L278 HydrophobicContact CD1-CD2 4.28Å; I123-L278 HydrophobicContact CG2-CD2 4.25Å; I123-L346 HydrophobicContact CD1-CD2 3.62Å; I123-F349 HydrophobicContact CD1-CB 3.87Å; I123-F349 HydrophobicContact CD1-CD1 4.23Å; I123-F349 HydrophobicContact CD1-CG 4.06Å; I123-M354 HydrophobicContact CB-CG 4.37Å; I123-M354 HydrophobicContact CG1-CG 4.16Å; I123-M354 HydrophobicContact CG2-CG 4.45Å; I123-M354 HydrophobicContact CG2-SD 4.46Å
124V98.9Very high98.8Very high0 Ų037.6 Ų37.60%020%0.201CC..Hα-helixtrans-107.9-9-179.4-61.50000113.8M120 A126 I131 V255 L260 L262 W272M120-V124 HydrophobicContact CE-CG1 3.86Å; M120-V124 WeakPolarHBondContact O-CG2 3.36Å; M120-V124 PolarHBondContact O-N 2.82Å; V124-A126 HydrophobicContact CG2-CB 3.93Å; V124-I131 HydrophobicContact CG2-CD1 3.56Å; V124-I131 HydrophobicContact CG2-CG1 4.05Å; V124-V255 HydrophobicContact CG1-CG2 3.91Å; V124-L260 CarbonylContact C-O 3.53Å; V124-L260 VanDerWaalsContact C-O 3.31Å; V124-L260 HydrophobicContact CG1-CD1 4.4Å; V124-L260 CarbonylContact O-C 3.52Å; V124-L262 HydrophobicContact CB-CD1 3.96Å; V124-L262 HydrophobicContact CB-CG 4.42Å; V124-L262 VanDerWaalsContact O-CG 3.27Å; V124-L262 WeakPolarHBondContact O-CG 3.3Å; V124-L262 PolarHBondContact O-N 2.78Å; V124-W272 HydrophobicContact CG1-CE3 4.49Å; V124-W272 HydrophobicContact CG1-CH2 3.94Å; V124-W272 HydrophobicContact CG1-CZ2 4.03Å; V124-W272 HydrophobicContact CG1-CZ3 4.17Å; V124-W272 HydrophobicContact CG2-CH2 4.36Å
125G98.9Very high98.9Very high20 Ų2036.8 Ų36.821%0.20620%0.199CC..THydrogen-bonded Turntrans59.455.7-175.900000112.1K121 L260 Y261 L262 H263K121-G125 WeakPolarHBondContact O-CA 3.49Å; K121-G125 PolarHBondContact O-N 3.3Å; G125-L260 WeakPolarHBondContact CA-O 3.44Å; G125-L260 PolarHBondContact N-O 3.34Å; G125-Y261 CarbonylContact O-C 3.29Å; G125-L262 PolarHBondContact O-N 3.24Å; G125-H263 WeakPolarHBondContact O-CB 3.44Å; G125-H263 PolarHBondContact O-N 2.9Å
126A98.9Very high98.9Very high7 Ų736.7 Ų36.76%0.05820%0.202CC..  trans-142.4159.4179.100000111.8K121 V124 E130 I131 F289K121-A126 WeakPolarHBondContact CA-O 3.47Å; K121-A126 PolarHBondContact O-N 2.87Å; V124-A126 HydrophobicContact CG2-CB 3.93Å; A126-E130 HydrophobicContact CB-CB 4.3Å; A126-I131 HydrophobicContact CB-CD1 4.04Å; A126-I131 HydrophobicContact CB-CG1 3.99Å; A126-F289 HydrophobicContact CB-CD2 3.58Å; A126-F289 HydrophobicContact CB-CE2 3.45Å; A126-F289 VanDerWaalsContact CB-CE2 3.45Å
127N98.8Very high98.9Very high71 Ų7137.4 Ų37.438%0.3821%0.205SC..  trans-77.1158176-52.5112.9000111.3K129 E130 H263N127-K129 VanDerWaalsContact C-N 3.25Å; N127-K129 PolarHBondContact O-N 2.81Å; N127-E130 HydrophobicContact CB-CG 4.27Å; N127-E130 PolarHBondContact N-OE2 2.77Å; N127-E130 WeakPolarHBondContact O-CB 3.22Å; N127-E130 PolarHBondContact O-N 2.93Å; N127-E130 PolarHBondContact OD1-OE2 3.09Å; N127-H263 PolarHBondContact OD1-CE1 3.42Å; N127-H263 PolarHBondContact OD1-ND1 3.22Å
128E98.8Very high98.9Very high90 Ų9038.6 Ų38.642%0.42121%0.213SC..G310 helixtrans-57.7-37.6-178.3-69.5167.6-145.200112.8V117 K121 E130 I131V117-E128 HydrophobicContact CG1-CB 4.17Å; V117-E128 HydrophobicContact CG1-CG 4.21Å; K121-E128 HydrophobicContact CD-CG 3.6Å; K121-E128 WeakPolarHBondContact CD-OE1 3.4Å; K121-E128 HydrophobicContact CG-CG 3.88Å; K121-E128 IonicContact NZ-OE1 3.94Å; K121-E128 PolarHBondContact NZ-OE1 2.87Å; E128-E130 PolarHBondContact O-N 2.77Å; E128-I131 PolarHBondContact O-N 3.18Å; E128-I131 VanDerWaalsContact O-O 3.14Å
129K98.8Very high98.9Very high173 Ų17340.5 Ų40.575%0.75222%0.218SC*.G310 helixtrans-69.6-15.4178.5-66.2-176.5178.7179.30113.8N127N127-K129 VanDerWaalsContact C-N 3.25Å; N127-K129 PolarHBondContact O-N 2.81Å
130E98.9Very high98.9Very high1 Ų139 Ų391%0.00521%0.21CC..G310 helixtrans-94.6-3178.4-59.7-179.512000112A126 N127 E128 H263 F289 I290 H291 E292 V326A126-E130 HydrophobicContact CB-CB 4.3Å; N127-E130 HydrophobicContact CB-CG 4.27Å; N127-E130 PolarHBondContact N-OE2 2.77Å; N127-E130 WeakPolarHBondContact O-CB 3.22Å; N127-E130 PolarHBondContact O-N 2.93Å; N127-E130 PolarHBondContact OD1-OE2 3.09Å; E128-E130 PolarHBondContact O-N 2.77Å; E130-H263 VanDerWaalsContact CD-ND1 3.26Å; E130-H263 IonicContact OE1-CE1 3.87Å; E130-H263 IonicContact OE1-CG 3.58Å; E130-H263 IonicContact OE1-ND1 3.7Å; E130-H263 PolarHBondContact OE1-ND1 3.03Å; E130-H263 IonicContact OE2-CG 2.64Å; E130-H263 IonicContact OE2-ND1 2.82Å; E130-H263 PolarHBondContact OE2-ND1 3.1Å; E130-F289 HydrophobicContact CB-CD2 3.75Å; E130-F289 HydrophobicContact CB-CE2 3.61Å; E130-F289 HydrophobicContact CG-CE2 4.3Å; E130-F289 WeakPolarHBondContact O-CA 3.24Å; E130-F289 VanDerWaalsContact O-CD2 3.29Å; E130-F289 WeakPolarHBondContact O-CD2 3.48Å; E130-I290 WeakPolarHBondContact CA-O 3.3Å; E130-I290 WeakPolarHBondContact CB-O 3.35Å; E130-I290 PolarHBondContact O-N 2.95Å; E130-I290 VanDerWaalsContact O-N 3.08Å; E130-H291 WeakPolarHBondContact OE1-CA 3.43Å; E130-H291 IonicContact OE1-CE1 2.98Å; E130-H291 IonicContact OE1-CG 2.68Å; E130-H291 IonicContact OE1-ND1 3.1Å; E130-H291 PolarHBondContact OE1-ND1 3.33Å; E130-E292 HydrophobicContact CG-CB 3.91Å; E130-E292 WeakPolarHBondContact OE1-CB 3.24Å; E130-E292 WeakPolarHBondContact OE1-CG 3.22Å; E130-E292 PolarHBondContact OE1-N 3.02Å; E130-V326 WeakPolarHBondContact O-CG1 3.37Å
131I99Very high98.9Very high2 Ų239 Ų391%0.0121%0.21CC..EExtended strand (participates in β ladder)trans-120.6132.5-176.3-54.6165000110.2V117 M120 V124 A126 E128 W272 A288 V326V117-I131 HydrophobicContact CG2-CB 3.67Å; V117-I131 HydrophobicContact CG2-CG2 3.55Å; M120-I131 HydrophobicContact CB-CD1 4.09Å; M120-I131 HydrophobicContact CB-CG2 4.41Å; V124-I131 HydrophobicContact CG2-CD1 3.56Å; V124-I131 HydrophobicContact CG2-CG1 4.05Å; A126-I131 HydrophobicContact CB-CD1 4.04Å; A126-I131 HydrophobicContact CB-CG1 3.99Å; E128-I131 PolarHBondContact O-N 3.18Å; E128-I131 VanDerWaalsContact O-O 3.14Å; I131-W272 HydrophobicContact CG2-CH2 4.08Å; I131-W272 HydrophobicContact CG2-CZ2 4.02Å; I131-A288 WeakPolarHBondContact CA-O 3.42Å; I131-V326 VanDerWaalsContact C-CG1 3.44Å
132A98.9Very high98.9Very high2 Ų238.1 Ų38.12%0.01721%0.207CC..EExtended strand (participates in β ladder)trans-122.3135.3166.400000110.3M134 G287 A288 V326A132-M134 HydrophobicContact CB-CE 4.27Å; A132-M134 HydrophobicContact CB-CG 4.2Å; A132-M134 HydrophobicContact CB-SD 4.09Å; A132-G287 CarbonylContact O-C 3.41Å; A132-G287 VanDerWaalsContact O-CA 3.29Å; A132-G287 WeakPolarHBondContact O-CA 3.14Å; A132-A288 PolarHBondContact N-O 2.95Å; A132-A288 PolarHBondContact O-N 3.21Å; A132-V326 HydrophobicContact CB-CB 4.47Å; A132-V326 HydrophobicContact CB-CG1 3.94Å; A132-V326 HydrophobicContact CB-CG2 3.86Å
133L98.9Very high98.9Very high2 Ų232 Ų321%0.0118%0.175CC..EExtended strand (participates in β ladder)trans-102103.9171.3-60.5177000108.3D113 I116 V117 M120 I285 A286 L342D113-L133 HydrophobicContact CB-CB 4.16Å; D113-L133 WeakPolarHBondContact CB-O 3.41Å; I116-L133 HydrophobicContact CD1-CD1 3.84Å; I116-L133 HydrophobicContact CG1-CD1 3.7Å; V117-L133 HydrophobicContact CB-CD1 4.44Å; V117-L133 HydrophobicContact CG2-CG 4.4Å; M120-L133 HydrophobicContact CG-CD1 4.44Å; M120-L133 HydrophobicContact CG-CD2 4.13Å; L133-I285 HydrophobicContact CB-CD1 4.27Å; L133-I285 VanDerWaalsContact O-CD1 3.3Å; L133-I285 WeakPolarHBondContact O-CD1 3.38Å; L133-A286 CarbonylContact C-O 3.2Å; L133-A286 WeakPolarHBondContact CA-O 3.21Å; L133-L342 HydrophobicContact CD1-CD2 3.99Å; L133-L342 HydrophobicContact CD2-CD2 4.2Å
134M98.9Very high98.9Very high5 Ų531.8 Ų31.83%0.02517%0.173CC..  trans-158.3156.3-170.560.8176.9-173.100112.4A132 N140 L143 A286 A288 F329 R330A132-M134 HydrophobicContact CB-CE 4.27Å; A132-M134 HydrophobicContact CB-CG 4.2Å; A132-M134 HydrophobicContact CB-SD 4.09Å; M134-N140 PolarHBondContact O-ND2 2.89Å; M134-N140 PolarHBondContact O-OD1 3.34Å; M134-L143 HydrophobicContact CE-CD1 4.3Å; M134-A286 PolarHBondContact N-O 2.73Å; M134-A286 CarbonylContact O-C 3.54Å; M134-A288 HydrophobicContact CE-CB 3.9Å; M134-F329 HydrophobicContact CE-CB 4.04Å; M134-R330 VanDerWaalsContact SD-CA 3.56Å; M134-R330 HydrophobicContact SD-CB 3.9Å; M134-R330 HydrophobicContact SD-CG 4.28Å
135N98.9Very high98.9Very high54 Ų5431.8 Ų31.829%0.28917%0.173SC..SBendtrans50.4-146.7170.3-41.2-52.5000113.8V139 N140 L143 A286N135-V139 HydrophobicContact CB-CB 4.06Å; N135-V139 HydrophobicContact CB-CG1 3.77Å; N135-N140 WeakPolarHBondContact CB-OD1 3.24Å; N135-N140 PolarHBondContact ND2-OD1 3.37Å; N135-L143 WeakPolarHBondContact ND2-CD1 3.14Å; N135-A286 PolarHBondContact O-N 3.24Å
136A98.9Very high98.9Very high49 Ų4932.9 Ų32.941%0.40517%0.174SC..  trans-118.3165.1172.500000110.3V139 N140A136-V139 HydrophobicContact CB-CG2 4.21Å; A136-V139 WeakPolarHBondContact O-CB 3.12Å; A136-V139 PolarHBondContact O-N 2.88Å; A136-N140 PolarHBondContact O-N 2.94Å
137L98.9Very high98.9Very high16 Ų1633 Ų338%0.08417%0.174CC..Hα-helixtrans-53.5-61-172.7171.654.3000113.4V139 N140 L141 D250 A252 C271 W272 C273 A286L137-V139 PolarHBondContact O-N 3.39Å; L137-N140 WeakPolarHBondContact O-CB 3.17Å; L137-N140 PolarHBondContact O-N 3.4Å; L137-N140 VanDerWaalsContact O-N 3.11Å; L137-L141 PolarHBondContact O-N 2.94Å; L137-D250 VanDerWaalsContact CD1-OD2 3.22Å; L137-D250 WeakPolarHBondContact CD1-OD2 3.13Å; L137-D250 WeakPolarHBondContact CD2-OD2 3.44Å; L137-D250 WeakPolarHBondContact CG-OD2 3.43Å; L137-A252 HydrophobicContact CD2-CB 3.6Å; L137-C271 HydrophobicContact CD1-CB 3.85Å; L137-W272 VanDerWaalsContact CD1-CA 3.46Å; L137-C273 HydrophobicContact CB-CB 4.03Å; L137-C273 HydrophobicContact CD2-CB 3.97Å; L137-A286 VanDerWaalsContact N-CB 3.29Å
138T98.9Very high98.9Very high36 Ų3629.6 Ų29.622%0.22116%0.156CC..Hα-helixtrans-65.9-28.9-178-39.90000112.2L141 H142 S167 A171T138-L141 WeakPolarHBondContact O-CB 3.32Å; T138-L141 PolarHBondContact O-N 3.12Å; T138-H142 PolarHBondContact O-CD2 2.83Å; T138-H142 VanDerWaalsContact O-CD2 3.26Å; T138-H142 PolarHBondContact O-N 3.04Å; T138-S167 WeakPolarHBondContact CB-OG 3.39Å; T138-S167 WeakPolarHBondContact CG2-OG 3.49Å; T138-S167 PolarHBondContact OG1-OG 3.35Å; T138-A171 HydrophobicContact CG2-CB 3.97Å
139V98.9Very high98.9Very high70 Ų7025.4 Ų25.442%0.42414%0.136SC..Hα-helixtrans-63.1-49.2172.91770000109.6N135 A136 L137 L141 H142 L143N135-V139 HydrophobicContact CB-CB 4.06Å; N135-V139 HydrophobicContact CB-CG1 3.77Å; A136-V139 HydrophobicContact CB-CG2 4.21Å; A136-V139 WeakPolarHBondContact O-CB 3.12Å; A136-V139 PolarHBondContact O-N 2.88Å; L137-V139 PolarHBondContact O-N 3.39Å; V139-L141 VanDerWaalsContact C-N 3.29Å; V139-L141 PolarHBondContact O-N 2.87Å; V139-H142 PolarHBondContact O-N 3.36Å; V139-L143 WeakPolarHBondContact O-CG 3.31Å; V139-L143 PolarHBondContact O-N 2.93Å
140N98.9Very high98.9Very high0 Ų022.2 Ų22.20%012%0.123CC..Hα-helixtrans-61.5-39.1176.3-70.7-14.8000111.6M134 N135 A136 L137 H142 L143 L144 C271 G287 A288M134-N140 PolarHBondContact O-ND2 2.89Å; M134-N140 PolarHBondContact O-OD1 3.34Å; N135-N140 WeakPolarHBondContact CB-OD1 3.24Å; N135-N140 PolarHBondContact ND2-OD1 3.37Å; A136-N140 PolarHBondContact O-N 2.94Å; L137-N140 WeakPolarHBondContact O-CB 3.17Å; L137-N140 PolarHBondContact O-N 3.4Å; L137-N140 VanDerWaalsContact O-N 3.11Å; N140-H142 VanDerWaalsContact C-N 3.33Å; N140-H142 PolarHBondContact O-N 3.19Å; N140-L143 PolarHBondContact O-N 3.42Å; N140-L144 VanDerWaalsContact O-CG 3.24Å; N140-L144 WeakPolarHBondContact O-CG 3.47Å; N140-L144 PolarHBondContact O-N 3.22Å; N140-C271 HydrophobicContact CB-CB 4.16Å; N140-G287 PolarHBondContact ND2-O 3.41Å; N140-A288 HydrophobicContact CB-CB 4.27Å
141L98.9Very high98.9Very high0 Ų023.7 Ų23.70%013%0.132CC..Hα-helixtrans-57.5-46.1175.8-176.957.9000111.8L137 T138 V139 L144 L145 D168 A171 L219L137-L141 PolarHBondContact O-N 2.94Å; T138-L141 WeakPolarHBondContact O-CB 3.32Å; T138-L141 PolarHBondContact O-N 3.12Å; V139-L141 VanDerWaalsContact C-N 3.29Å; V139-L141 PolarHBondContact O-N 2.87Å; L141-L144 PolarHBondContact O-N 3.12Å; L141-L145 HydrophobicContact CD1-CD1 4.06Å; L141-L145 HydrophobicContact CD1-CG 4.18Å; L141-L145 HydrophobicContact CG-CD1 3.97Å; L141-L145 HydrophobicContact CG-CG 4.47Å; L141-L145 WeakPolarHBondContact O-CB 3.3Å; L141-L145 WeakPolarHBondContact O-CG 3.47Å; L141-L145 PolarHBondContact O-N 3.21Å; L141-D168 HydrophobicContact CD2-CB 4.43Å; L141-A171 HydrophobicContact CD2-CB 3.91Å; L141-L219 HydrophobicContact CD1-CD1 3.91Å; L141-L219 HydrophobicContact CD1-CD2 3.65Å; L141-L219 HydrophobicContact CD1-CG 4.42Å; L141-L219 HydrophobicContact CD2-CD2 4.19Å; L141-L219 HydrophobicContact CG-CD2 4.33Å
142H98.9Very high98.9Very high54 Ų5427 Ų2725%0.2515%0.153CC..Hα-helixtrans-61.1-45.3174.3-81.9-60.1000112.9T138 V139 N140 L144 L145 L146 A171 S174 Q175T138-H142 PolarHBondContact O-CD2 2.83Å; T138-H142 VanDerWaalsContact O-CD2 3.26Å; T138-H142 PolarHBondContact O-N 3.04Å; V139-H142 PolarHBondContact O-N 3.36Å; N140-H142 VanDerWaalsContact C-N 3.33Å; N140-H142 PolarHBondContact O-N 3.19Å; H142-L144 VanDerWaalsContact C-N 3.26Å; H142-L144 PolarHBondContact O-N 3.03Å; H142-L145 PolarHBondContact O-N 2.99Å; H142-L146 VanDerWaalsContact O-CG 3.27Å; H142-L146 WeakPolarHBondContact O-CG 3.33Å; H142-L146 PolarHBondContact O-N 3.06Å; H142-A171 VanDerWaalsContact CE1-CA 3.49Å; H142-A171 WeakPolarHBondContact CE1-CA 2.99Å; H142-S174 PolarHBondContact CE1-OG 3.11Å; H142-Q175 PolarHBondContact ND1-NE2 2.94Å; H142-Q175 VanDerWaalsContact ND1-NE2 3.12Å
143L98.9Very high98.9Very high15 Ų1533.2 Ų33.28%0.07919%0.193CC..Hα-helixtrans-59.2-39.9178.9-65.3-178.8000111.9M134 N135 V139 N140 L302 F329 I331M134-L143 HydrophobicContact CE-CD1 4.3Å; N135-L143 WeakPolarHBondContact ND2-CD1 3.14Å; V139-L143 WeakPolarHBondContact O-CG 3.31Å; V139-L143 PolarHBondContact O-N 2.93Å; N140-L143 PolarHBondContact O-N 3.42Å; L143-L302 HydrophobicContact CD2-CB 4.43Å; L143-L302 HydrophobicContact CD2-CD1 4.03Å; L143-F329 HydrophobicContact CB-CD1 4.44Å; L143-F329 WeakPolarHBondContact O-CE1 3.36Å; L143-I331 HydrophobicContact CD1-CD1 4.19Å; L143-I331 HydrophobicContact CD2-CD1 3.69Å
144L98.9Very high98.9Very high0 Ų041.7 Ų41.70%023%0.23CC..Hα-helixtrans-69.6-49.4177.2-64.9168.1000111N140 L141 H142 L146 S147 F148 F269 A270 C271 A288 I290N140-L144 VanDerWaalsContact O-CG 3.24Å; N140-L144 WeakPolarHBondContact O-CG 3.47Å; N140-L144 PolarHBondContact O-N 3.22Å; L141-L144 PolarHBondContact O-N 3.12Å; H142-L144 VanDerWaalsContact C-N 3.26Å; H142-L144 PolarHBondContact O-N 3.03Å; L144-L146 VanDerWaalsContact C-N 3.32Å; L144-L146 PolarHBondContact O-N 3.44Å; L144-S147 PolarHBondContact O-N 3.21Å; L144-F148 HydrophobicContact CD2-CE2 4.49Å; L144-F148 WeakPolarHBondContact O-CD2 3.3Å; L144-F148 PolarHBondContact O-N 3.01Å; L144-F269 HydrophobicContact CB-CD2 3.94Å; L144-F269 HydrophobicContact CB-CE2 4.32Å; L144-F269 HydrophobicContact CB-CG 4.47Å; L144-F269 HydrophobicContact CD1-CB 4.47Å; L144-F269 HydrophobicContact CD1-CD2 3.89Å; L144-F269 HydrophobicContact CD2-CB 4.28Å; L144-F269 HydrophobicContact CG-CD2 4.4Å; L144-A270 WeakPolarHBondContact CD1-O 3.42Å; L144-C271 HydrophobicContact CD1-CB 4.04Å; L144-A288 HydrophobicContact CD1-CB 4.31Å; L144-I290 HydrophobicContact CD2-CD1 3.58Å; L144-I290 HydrophobicContact CD2-CG1 3.52Å
145L98.9Very high98.9Very high0 Ų044.4 Ų44.40%024%0.24CC..Hα-helixtrans-61.3-37.6-178.2-74.6175.4000112.7L141 H142 S147 F148 F149 Q175 V217 L219 F269L141-L145 HydrophobicContact CD1-CD1 4.06Å; L141-L145 HydrophobicContact CD1-CG 4.18Å; L141-L145 HydrophobicContact CG-CD1 3.97Å; L141-L145 HydrophobicContact CG-CG 4.47Å; L141-L145 WeakPolarHBondContact O-CB 3.3Å; L141-L145 WeakPolarHBondContact O-CG 3.47Å; L141-L145 PolarHBondContact O-N 3.21Å; H142-L145 PolarHBondContact O-N 2.99Å; L145-S147 PolarHBondContact O-N 2.86Å; L145-F148 PolarHBondContact O-N 3.33Å; L145-F149 HydrophobicContact CD2-CB 4.44Å; L145-F149 WeakPolarHBondContact O-CA 3.27Å; L145-F149 WeakPolarHBondContact O-CB 3.49Å; L145-F149 PolarHBondContact O-N 2.98Å; L145-Q175 HydrophobicContact CB-CG 4Å; L145-Q175 HydrophobicContact CD1-CG 3.9Å; L145-V217 HydrophobicContact CD2-CG1 4.11Å; L145-L219 HydrophobicContact CD1-CD2 3.89Å; L145-L219 HydrophobicContact CD2-CD2 4.15Å; L145-L219 HydrophobicContact CG-CD2 4.42Å; L145-F269 HydrophobicContact CD2-CZ 4.15Å
146L98.9Very high98.9Very high44 Ų4444.6 Ų44.623%0.2324%0.237CC..Hα-helixtrans-57.8-23.7176.1-73170.4000113.9H142 L144 L178 A301 L302H142-L146 VanDerWaalsContact O-CG 3.27Å; H142-L146 WeakPolarHBondContact O-CG 3.33Å; H142-L146 PolarHBondContact O-N 3.06Å; L144-L146 VanDerWaalsContact C-N 3.32Å; L144-L146 PolarHBondContact O-N 3.44Å; L146-L178 HydrophobicContact CD2-CD2 3.53Å; L146-A301 HydrophobicContact CB-CB 3.6Å; L146-L302 HydrophobicContact CD1-CD1 3.72Å; L146-L302 HydrophobicContact CD1-CG 3.93Å
147S98.9Very high98.9Very high8 Ų843.9 Ų43.96%0.05622%0.224CC..Hα-helixtrans-102.9-32.1179.8-67.40000113.8L144 L145 K150 K299 P300 A301 F329L144-S147 PolarHBondContact O-N 3.21Å; L145-S147 PolarHBondContact O-N 2.86Å; S147-K150 WeakPolarHBondContact O-CE 3.29Å; S147-K299 VanDerWaalsContact CB-O 3.27Å; S147-K299 WeakPolarHBondContact CB-O 3.35Å; S147-K299 PolarHBondContact OG-O 3.21Å; S147-P300 WeakPolarHBondContact OG-CA 3.29Å; S147-A301 PolarHBondContact OG-N 2.76Å; S147-F329 VanDerWaalsContact OG-CE1 3.22Å; S147-F329 WeakPolarHBondContact OG-CE1 3.44Å; S147-F329 WeakPolarHBondContact OG-CZ 3.14Å
148F98.9Very high98.9Very high1 Ų143.1 Ų43.10%0.00422%0.22CC..Hα-helixtrans-88.8-38-179.2-81.4-80.5000113.1L144 L145 K150 V217 Y246 D268 F269 I290 H294 I298L144-F148 HydrophobicContact CD2-CE2 4.49Å; L144-F148 WeakPolarHBondContact O-CD2 3.3Å; L144-F148 PolarHBondContact O-N 3.01Å; L145-F148 PolarHBondContact O-N 3.33Å; F148-K150 PolarHBondContact O-N 3.22Å; F148-V217 HydrophobicContact CB-CG2 4.49Å; F148-Y246 AromaticContact CD1-CD1 3.63Å; F148-Y246 HydrophobicContact CD1-CD1 3.63Å; F148-Y246 HydrophobicContact CD1-CD2 4.2Å; F148-Y246 HydrophobicContact CD1-CE1 4.08Å; F148-Y246 AromaticContact CD1-CG 3.7Å; F148-Y246 HydrophobicContact CD1-CG 3.7Å; F148-Y246 AromaticContact CE1-CD1 3.83Å; F148-Y246 HydrophobicContact CE1-CD1 3.83Å; F148-Y246 HydrophobicContact CE1-CE1 4.13Å; F148-Y246 HydrophobicContact CE1-CG 4.35Å; F148-D268 HydrophobicContact CE1-CB 4.1Å; F148-F269 HydrophobicContact CB-CD1 4.12Å; F148-F269 HydrophobicContact CB-CE1 3.82Å; F148-F269 HydrophobicContact CB-CZ 4.5Å; F148-F269 AromaticContact CD1-CD1 3.73Å; F148-F269 HydrophobicContact CD1-CD1 3.73Å; F148-F269 HydrophobicContact CD1-CE1 4.1Å; F148-F269 HydrophobicContact CD2-CB 4.14Å; F148-F269 AromaticContact CD2-CD1 3.56Å; F148-F269 HydrophobicContact CD2-CD1 3.56Å; F148-F269 HydrophobicContact CD2-CE1 4.12Å; F148-F269 AromaticContact CD2-CG 3.9Å; F148-F269 HydrophobicContact CD2-CG 3.9Å; F148-F269 AromaticContact CE1-CD1 3.96Å; F148-F269 HydrophobicContact CE1-CD1 3.96Å; F148-F269 HydrophobicContact CE2-CB 3.65Å; F148-F269 AromaticContact CE2-CD1 3.81Å; F148-F269 HydrophobicContact CE2-CD1 3.81Å; F148-F269 AromaticContact CE2-CG 3.94Å; F148-F269 HydrophobicContact CE2-CG 3.94Å; F148-F269 AromaticContact CG-CD1 3.52Å; F148-F269 HydrophobicContact CG-CD1 3.52Å; F148-F269 AromaticContact CG-CE1 3.75Å; F148-F269 HydrophobicContact CG-CE1 3.75Å; F148-F269 HydrophobicContact CG-CG 4.32Å; F148-F269 HydrophobicContact CZ-CB 3.96Å; F148-F269 AromaticContact CZ-CD1 3.99Å; F148-F269 HydrophobicContact CZ-CD1 3.99Å; F148-F269 HydrophobicContact CZ-CG 4.37Å; F148-I290 HydrophobicContact CE2-CD1 4.12Å; F148-I290 HydrophobicContact CE2-CG1 4.15Å; F148-I290 HydrophobicContact CE2-CG2 4.32Å; F148-I290 HydrophobicContact CZ-CG2 3.95Å; F148-H294 AromaticContact CE1-CD2 3.81Å; F148-H294 AromaticContact CZ-CD2 3.91Å; F148-I298 HydrophobicContact CD2-CG2 4.21Å; F148-I298 HydrophobicContact CE1-CD1 4.47Å; F148-I298 HydrophobicContact CE1-CG1 3.95Å; F148-I298 HydrophobicContact CE1-CG2 4.26Å; F148-I298 HydrophobicContact CE2-CG2 3.91Å; F148-I298 HydrophobicContact CZ-CB 4.38Å; F148-I298 HydrophobicContact CZ-CG1 4.19Å; F148-I298 HydrophobicContact CZ-CG2 3.95Å
149F98.9Very high98.9Very high1 Ų141.4 Ų41.40%0.00421%0.21CC..  trans-83.597.1178.4-176.2-120.3000110.6L145 P151 Y156 I158 L176 H179 L181 A216 V217L145-F149 HydrophobicContact CD2-CB 4.44Å; L145-F149 WeakPolarHBondContact O-CA 3.27Å; L145-F149 WeakPolarHBondContact O-CB 3.49Å; L145-F149 PolarHBondContact O-N 2.98Å; F149-P151 HydrophobicContact CD1-CG 4.43Å; F149-P151 HydrophobicContact CE1-CB 4.34Å; F149-P151 HydrophobicContact CE1-CG 3.83Å; F149-P151 HydrophobicContact CE2-CB 4.11Å; F149-P151 HydrophobicContact CE2-CG 4.41Å; F149-P151 HydrophobicContact CZ-CB 3.79Å; F149-P151 HydrophobicContact CZ-CG 3.81Å; F149-P151 WeakPolarHBondContact O-CD 3.35Å; F149-Y156 VanDerWaalsContact CE2-O 3.3Å; F149-Y156 WeakPolarHBondContact CE2-O 3.32Å; F149-Y156 WeakPolarHBondContact CZ-O 3.33Å; F149-I158 HydrophobicContact CD1-CD1 4.06Å; F149-I158 HydrophobicContact CD2-CD1 3.73Å; F149-I158 HydrophobicContact CD2-CG1 3.63Å; F149-I158 HydrophobicContact CE1-CD1 4.08Å; F149-I158 HydrophobicContact CE2-CD1 3.78Å; F149-I158 HydrophobicContact CE2-CG1 3.45Å; F149-I158 VanDerWaalsContact CE2-CG1 3.45Å; F149-I158 HydrophobicContact CG-CD1 3.88Å; F149-I158 HydrophobicContact CG-CG1 4.31Å; F149-I158 HydrophobicContact CZ-CD1 3.96Å; F149-I158 HydrophobicContact CZ-CG1 3.99Å; F149-L176 HydrophobicContact CE1-CD2 3.98Å; F149-L176 HydrophobicContact CE2-CD2 4.43Å; F149-L176 HydrophobicContact CZ-CD2 3.56Å; F149-H179 AromaticContact CD1-CD2 3.68Å; F149-H179 AromaticContact CD1-NE2 3.9Å; F149-H179 AromaticContact CE1-CD2 3.57Å; F149-L181 HydrophobicContact CE1-CD1 4.14Å; F149-L181 HydrophobicContact CZ-CD1 3.67Å; F149-A216 HydrophobicContact CD2-CB 3.86Å; F149-A216 HydrophobicContact CE2-CB 3.89Å; F149-V217 HydrophobicContact CB-CG2 4.02Å; F149-V217 HydrophobicContact CD2-CG2 4.05Å
150K98.8Very high98.9Very high106 Ų10638 Ų3846%0.46119%0.19SC..  trans-121.676.5179.6-67.1171.7-67.4-166.40109.3S147 F148S147-K150 WeakPolarHBondContact O-CE 3.29Å; F148-K150 PolarHBondContact O-N 3.22Å
151P98.8Very high98.8Very high32 Ų3238.5 Ų38.521%0.20819%0.192CC..  trans-64.2148.5-172.826.7-34.6000112F149 R155 H179 L181F149-P151 HydrophobicContact CD1-CG 4.43Å; F149-P151 HydrophobicContact CE1-CB 4.34Å; F149-P151 HydrophobicContact CE1-CG 3.83Å; F149-P151 HydrophobicContact CE2-CB 4.11Å; F149-P151 HydrophobicContact CE2-CG 4.41Å; F149-P151 HydrophobicContact CZ-CB 3.79Å; F149-P151 HydrophobicContact CZ-CG 3.81Å; F149-P151 WeakPolarHBondContact O-CD 3.35Å; P151-R155 CarbonylContact C-O 3.46Å; P151-R155 WeakPolarHBondContact CA-O 3.28Å; P151-H179 HydrophobicContact CG-CB 3.92Å; P151-L181 HydrophobicContact CB-CD1 3.9Å; P151-L181 HydrophobicContact CG-CD1 4.06Å
152T98.8Very high98.7Very high72 Ų7239.4 Ų39.444%0.44220%0.199SC..  trans-134.2165.9174.766.70000109.2K154 R155 Y156T152-K154 PolarHBondContact O-N 3.33Å; T152-R155 PolarHBondContact N-O 3.37Å; T152-R155 CarbonylContact O-C 3.58Å; T152-R155 PolarHBondContact O-N 2.94Å; T152-R155 VanDerWaalsContact O-N 3.11Å; T152-R155 PolarHBondContact OG1-N 3.41Å; T152-R155 VanDerWaalsContact OG1-N 3.11Å; T152-R155 PolarHBondContact OG1-O 3.43Å; T152-Y156 WeakPolarHBondContact O-CB 3.44Å
153P98.5Very high98.6Very high132 Ų13245.2 Ų45.286%0.85722%0.224SC*.SBendtrans-55.7-26.6177.3-27.735.9000114.7
154K98.6Very high98.5Very high180 Ų18045 Ų4578%0.78322%0.224SC*.SBendtrans-91.7-29.7178.9-67.4-175.1178.7-177.60113.6T152 S214T152-K154 PolarHBondContact O-N 3.33Å; K154-S214 WeakPolarHBondContact O-CA 3.48Å
155R98.8Very high98.4Very high62 Ų6248.7 Ų48.723%0.23424%0.24CC..SBendtrans-140.999.5-169.8-174.6-174.5-66.8-90.21.6109.7P151 T152 G212 D213 S214 I215 A216 K243 G244P151-R155 CarbonylContact C-O 3.46Å; P151-R155 WeakPolarHBondContact CA-O 3.28Å; T152-R155 PolarHBondContact N-O 3.37Å; T152-R155 CarbonylContact O-C 3.58Å; T152-R155 PolarHBondContact O-N 2.94Å; T152-R155 VanDerWaalsContact O-N 3.11Å; T152-R155 PolarHBondContact OG1-N 3.41Å; T152-R155 VanDerWaalsContact OG1-N 3.11Å; T152-R155 PolarHBondContact OG1-O 3.43Å; R155-G212 PolarHBondContact NH1-O 3.4Å; R155-D213 PolarHBondContact NH2-O 2.73Å; R155-S214 CarbonylContact C-O 3.56Å; R155-S214 WeakPolarHBondContact CA-O 3.32Å; R155-I215 WeakPolarHBondContact CD-O 3.42Å; R155-I215 VanDerWaalsContact CG-C 3.4Å; R155-I215 WeakPolarHBondContact CG-O 3.44Å; R155-I215 PolarHBondContact NH1-O 3.49Å; R155-A216 HydrophobicContact CG-CB 4.04Å; R155-K243 PolarHBondContact NH1-O 3.11Å; R155-K243 PolarHBondContact NH2-O 3.47Å; R155-G244 PolarHBondContact NH1-O 3.18Å
156Y98.9Very high98.4Very high59 Ų5951.4 Ų51.423%0.23126%0.258CS..  trans-143.6-10-169.959.7-90.5000114.4F149 T152 S186 S214F149-Y156 VanDerWaalsContact CE2-O 3.3Å; F149-Y156 WeakPolarHBondContact CE2-O 3.32Å; F149-Y156 WeakPolarHBondContact CZ-O 3.33Å; T152-Y156 WeakPolarHBondContact O-CB 3.44Å; Y156-S186 WeakPolarHBondContact CD2-OG 3.38Å; Y156-S214 PolarHBondContact N-O 3.16Å
157K98.9Very high98.4Very high33 Ų3351 Ų5114%0.14326%0.258CS..EExtended strand (participates in β ladder)trans-76.2151-178.6-62.2177.8178.2168.40111.7S186 R188 E211 S214 I215 A216K157-S186 CarbonylContact C-O 3.31Å; K157-S186 VanDerWaalsContact CA-O 3.24Å; K157-S186 WeakPolarHBondContact CA-O 3.37Å; K157-R188 HydrophobicContact CD-CB 4.46Å; K157-E211 IonicContact NZ-OE2 3.13Å; K157-E211 PolarHBondContact NZ-OE2 2.8Å; K157-S214 WeakPolarHBondContact CD-OG 3.31Å; K157-S214 PolarHBondContact N-O 2.58Å; K157-S214 PolarHBondContact NZ-OG 3.23Å; K157-I215 HydrophobicContact CB-CG1 4Å; K157-I215 HydrophobicContact CD-CG1 4.39Å; K157-A216 PolarHBondContact O-N 3.4Å
158I98.9Very high98.4Very high0 Ų051.1 Ų51.10%026%0.258CS..EExtended strand (participates in β ladder)trans-108.9125.8161.6-60.7177.5000108F149 I172 L176 S186 R188 V217 L219F149-I158 HydrophobicContact CD1-CD1 4.06Å; F149-I158 HydrophobicContact CD2-CD1 3.73Å; F149-I158 HydrophobicContact CD2-CG1 3.63Å; F149-I158 HydrophobicContact CE1-CD1 4.08Å; F149-I158 HydrophobicContact CE2-CD1 3.78Å; F149-I158 HydrophobicContact CE2-CG1 3.45Å; F149-I158 VanDerWaalsContact CE2-CG1 3.45Å; F149-I158 HydrophobicContact CG-CD1 3.88Å; F149-I158 HydrophobicContact CG-CG1 4.31Å; F149-I158 HydrophobicContact CZ-CD1 3.96Å; F149-I158 HydrophobicContact CZ-CG1 3.99Å; I158-I172 HydrophobicContact CB-CG2 4Å; I158-I172 HydrophobicContact CD1-CG2 4.01Å; I158-I172 HydrophobicContact CG2-CD1 4.27Å; I158-I172 HydrophobicContact CG2-CG1 4.25Å; I158-I172 HydrophobicContact CG2-CG2 3.81Å; I158-L176 HydrophobicContact CD1-CD2 4.09Å; I158-L176 HydrophobicContact CD1-CG 4.32Å; I158-L176 HydrophobicContact CG1-CD2 4.22Å; I158-S186 PolarHBondContact N-O 2.98Å; I158-R188 PolarHBondContact O-N 3.42Å; I158-V217 VanDerWaalsContact CA-O 3.3Å; I158-V217 WeakPolarHBondContact CA-O 3.34Å; I158-V217 HydrophobicContact CG1-CB 4.47Å; I158-L219 HydrophobicContact CG2-CB 4.35Å
159L98.9Very high98.3Very high0 Ų053.3 Ų53.30%027%0.269CS..EExtended strand (participates in β ladder)trans-97.6128.6176.8-177.271.6000110.2R188 I190 V207 I208 I215 V217 I218 L219 F220L159-R188 WeakPolarHBondContact CA-O 3.36Å; L159-R188 HydrophobicContact CD1-CB 3.99Å; L159-R188 HydrophobicContact CD1-CG 3.49Å; L159-R188 VanDerWaalsContact CD1-CG 3.49Å; L159-R188 WeakPolarHBondContact CD1-O 3.19Å; L159-I190 HydrophobicContact CD1-CD1 3.81Å; L159-I190 HydrophobicContact CD1-CG1 3.73Å; L159-I190 HydrophobicContact CD2-CD1 4.13Å; L159-I190 HydrophobicContact CG-CD1 4.2Å; L159-V207 HydrophobicContact CD1-CG1 3.85Å; L159-V207 HydrophobicContact CD2-CG1 4.49Å; L159-I208 HydrophobicContact CD2-CD1 4.38Å; L159-I208 HydrophobicContact CD2-CG1 3.62Å; L159-I215 HydrophobicContact CB-CD1 4Å; L159-I215 HydrophobicContact CB-CG1 4.44Å; L159-I215 HydrophobicContact CB-CG2 3.96Å; L159-I215 HydrophobicContact CD1-CD1 4.32Å; L159-I215 HydrophobicContact CD2-CD1 4.05Å; L159-I215 HydrophobicContact CG-CD1 4.35Å; L159-V217 PolarHBondContact N-O 3.25Å; L159-I218 HydrophobicContact CB-CB 4.49Å; L159-I218 HydrophobicContact CB-CG1 4.13Å; L159-I218 HydrophobicContact CB-CG2 4.44Å; L159-I218 HydrophobicContact CD2-CD1 4.04Å; L159-I218 HydrophobicContact CD2-CG1 4.02Å; L159-I218 HydrophobicContact CD2-CG2 4.2Å; L159-I218 WeakPolarHBondContact O-CA 3.42Å; L159-L219 PolarHBondContact O-N 2.89Å; L159-F220 HydrophobicContact CG-CE2 4.28Å
160L98.9Very high98.3Very high0 Ų060.2 Ų60.20%030%0.296CS..EExtended strand (participates in β ladder)trans-145.4168.5177.470.6159.9000111.3A164 I172 M187 R188 M189 I190 L219 F220L160-A164 HydrophobicContact CD1-CB 4.05Å; L160-I172 HydrophobicContact CB-CD1 4.08Å; L160-I172 HydrophobicContact CD1-CD1 3.63Å; L160-I172 HydrophobicContact CD2-CD1 4.41Å; L160-I172 HydrophobicContact CG-CD1 4.24Å; L160-M187 HydrophobicContact CD1-CE 3.69Å; L160-M187 HydrophobicContact CD2-CE 4.13Å; L160-M187 HydrophobicContact CD2-CG 3.78Å; L160-R188 PolarHBondContact N-O 2.97Å; L160-M189 HydrophobicContact CD1-CG 4.2Å; L160-M189 HydrophobicContact CD2-CG 3.59Å; L160-M189 HydrophobicContact CG-CG 3.84Å; L160-M189 CarbonylContact O-C 3.47Å; L160-M189 WeakPolarHBondContact O-CA 3.15Å; L160-I190 PolarHBondContact O-N 3.46Å; L160-L219 WeakPolarHBondContact CA-O 3.43Å; L160-L219 VanDerWaalsContact CB-O 3.24Å; L160-L219 WeakPolarHBondContact CB-O 3.47Å; L160-F220 VanDerWaalsContact C-CE2 3.43Å
161E98.7Very high98.4Very high9 Ų955.2 Ų55.24%0.04227%0.274CS..EExtended strand (participates in β ladder)trans-71.4143.1166.974.7-80.8-161.600112A164 L199 F220 S221 H224 F231E161-A164 HydrophobicContact CG-CB 4.12Å; E161-A164 WeakPolarHBondContact O-CB 3.34Å; E161-A164 PolarHBondContact O-N 2.94Å; E161-L199 HydrophobicContact CB-CD1 3.9Å; E161-F220 HydrophobicContact CB-CD1 4.46Å; E161-F220 HydrophobicContact CB-CE1 3.94Å; E161-F220 HydrophobicContact CB-CZ 4.1Å; E161-S221 VanDerWaalsContact OE1-CB 3.31Å; E161-S221 WeakPolarHBondContact OE1-CB 3.25Å; E161-S221 PolarHBondContact OE1-N 2.99Å; E161-S221 PolarHBondContact OE1-OG 3.26Å; E161-S221 PolarHBondContact OE2-N 2.96Å; E161-H224 IonicContact OE1-CD2 3.26Å; E161-F231 HydrophobicContact CB-CZ 4.43Å
162A96.9Very high98.4Very high19 Ų1953.7 Ų53.716%0.15726%0.264CS..THydrogen-bonded Turntrans-67.8147.4169.900000110.4A164 M189 I190 K191A162-A164 PolarHBondContact O-N 3.26Å; A162-M189 HydrophobicContact CB-CB 4.03Å; A162-I190 WeakPolarHBondContact CB-O 3.12Å; A162-I190 PolarHBondContact N-O 3.27Å; A162-K191 HydrophobicContact CB-CB 4.36Å; A162-K191 HydrophobicContact CB-CG 3.61Å
163K95.9Very high98.4Very high177 Ų17753.1 Ų53.177%0.7726%0.257SS*.THydrogen-bonded Turntrans56.631.6-173.2-57.2179.7177.2172.50113.2H224K163-H224 PolarHBondContact O-NE2 2.89Å; K163-H224 VanDerWaalsContact O-NE2 3.12Å
164A96.9Very high98.4Very high9 Ų948.8 Ų48.87%0.07423%0.229CC..  trans-50.1165.1165.900000111.7L160 E161 A162L160-A164 HydrophobicContact CD1-CB 4.05Å; E161-A164 HydrophobicContact CG-CB 4.12Å; E161-A164 WeakPolarHBondContact O-CB 3.34Å; E161-A164 PolarHBondContact O-N 2.94Å; A162-A164 PolarHBondContact O-N 3.26Å
165F97.3Very high98.4Very high78 Ų7840.5 Ų40.534%0.34219%0.194SC..  trans-56.2136.6177.2-174.1-100.2000110.2S167 D168 H169 F225F165-S167 PolarHBondContact O-N 2.76Å; F165-S167 VanDerWaalsContact O-N 3.11Å; F165-D168 WeakPolarHBondContact CB-OD2 3.24Å; F165-D168 WeakPolarHBondContact CD1-OD2 3.4Å; F165-D168 WeakPolarHBondContact O-CB 3.39Å; F165-D168 PolarHBondContact O-N 3.47Å; F165-H169 PolarHBondContact O-N 3.19Å; F165-F225 HydrophobicContact CB-CD1 4.05Å; F165-F225 HydrophobicContact CB-CE1 4.39Å; F165-F225 HydrophobicContact CD2-CB 4.4Å; F165-F225 HydrophobicContact CD2-CD1 4.13Å; F165-F225 AromaticContact CD2-CD2 3.99Å; F165-F225 HydrophobicContact CD2-CD2 3.99Å; F165-F225 HydrophobicContact CD2-CE1 4.44Å; F165-F225 HydrophobicContact CD2-CE2 4.29Å; F165-F225 AromaticContact CD2-CG 3.9Å; F165-F225 HydrophobicContact CD2-CG 3.9Å
166P97.9Very high98.4Very high58 Ų5837.6 Ų37.638%0.37718%0.183SC..Hα-helixtrans-55.9-36.7-170.2-29.735.8000114D168 H169 Y170P166-D168 PolarHBondContact O-N 3.02Å; P166-H169 WeakPolarHBondContact O-CB 3.39Å; P166-H169 PolarHBondContact O-N 3.08Å; P166-Y170 HydrophobicContact CB-CE2 3.94Å; P166-Y170 WeakPolarHBondContact O-CD2 3.14Å; P166-Y170 PolarHBondContact O-N 2.89Å
167S98.4Very high98.4Very high34 Ų3440 Ų4024%0.23820%0.196CC..Hα-helixtrans-66.3-38.6-179.8-163.20000112.9T138 F165 A171T138-S167 WeakPolarHBondContact CB-OG 3.39Å; T138-S167 WeakPolarHBondContact CG2-OG 3.49Å; T138-S167 PolarHBondContact OG1-OG 3.35Å; F165-S167 PolarHBondContact O-N 2.76Å; F165-S167 VanDerWaalsContact O-N 3.11Å; S167-A171 VanDerWaalsContact O-CB 3.31Å; S167-A171 WeakPolarHBondContact O-CB 3.3Å; S167-A171 PolarHBondContact O-N 3.3Å
168D98.8Very high98.4Very high11 Ų1143.9 Ų43.96%0.05922%0.218CC..Hα-helixtrans-67.7-42.4175.8-57.8-123.2000110.4L141 F165 P166 Y170 A171 I172 D250L141-D168 HydrophobicContact CD2-CB 4.43Å; F165-D168 WeakPolarHBondContact CB-OD2 3.24Å; F165-D168 WeakPolarHBondContact CD1-OD2 3.4Å; F165-D168 WeakPolarHBondContact O-CB 3.39Å; F165-D168 PolarHBondContact O-N 3.47Å; P166-D168 PolarHBondContact O-N 3.02Å; D168-Y170 PolarHBondContact O-N 3.46Å; D168-A171 PolarHBondContact O-N 3.48Å; D168-I172 WeakPolarHBondContact O-CG1 3.16Å; D168-I172 PolarHBondContact O-N 2.94Å; D168-D250 WeakPolarHBondContact OD1-CB 3.32Å
169H98.8Very high98.4Very high48 Ų4847.8 Ų47.822%0.22224%0.236CC..Hα-helixtrans-56.7-51.4174.5-173.494.6000111F165 P166 A171 I172 E173 M187F165-H169 PolarHBondContact O-N 3.19Å; P166-H169 WeakPolarHBondContact O-CB 3.39Å; P166-H169 PolarHBondContact O-N 3.08Å; H169-A171 VanDerWaalsContact C-N 3.33Å; H169-A171 PolarHBondContact O-N 3.34Å; H169-I172 PolarHBondContact O-N 2.96Å; H169-E173 WeakPolarHBondContact O-CB 3.45Å; H169-E173 PolarHBondContact O-N 3.08Å; H169-M187 HydrophobicContact CB-CE 4.44Å; H169-M187 WeakPolarHBondContact ND1-CE 3.31Å; H169-M187 WeakPolarHBondContact O-CE 3.45Å
170Y98.9Very high98.4Very high145 Ų14551.2 Ų51.257%0.56927%0.271SS*.Hα-helixtrans-65.5-34.3177.4-56.8-33.7000112.7P166 D168 S174P166-Y170 HydrophobicContact CB-CE2 3.94Å; P166-Y170 WeakPolarHBondContact O-CD2 3.14Å; P166-Y170 PolarHBondContact O-N 2.89Å; D168-Y170 PolarHBondContact O-N 3.46Å; Y170-S174 VanDerWaalsContact O-CB 3.32Å; Y170-S174 WeakPolarHBondContact O-CB 3.26Å; Y170-S174 PolarHBondContact O-N 2.76Å; Y170-S174 PolarHBondContact O-OG 2.94Å
171A98.9Very high98.4Very high1 Ų153.1 Ų53.11%0.00828%0.281CS..Hα-helixtrans-64.4-46175.900000111.3T138 L141 H142 S167 D168 H169 S174 Q175T138-A171 HydrophobicContact CG2-CB 3.97Å; L141-A171 HydrophobicContact CD2-CB 3.91Å; H142-A171 VanDerWaalsContact CE1-CA 3.49Å; H142-A171 WeakPolarHBondContact CE1-CA 2.99Å; S167-A171 VanDerWaalsContact O-CB 3.31Å; S167-A171 WeakPolarHBondContact O-CB 3.3Å; S167-A171 PolarHBondContact O-N 3.3Å; D168-A171 PolarHBondContact O-N 3.48Å; H169-A171 VanDerWaalsContact C-N 3.33Å; H169-A171 PolarHBondContact O-N 3.34Å; A171-S174 PolarHBondContact O-OG 2.9Å; A171-S174 VanDerWaalsContact O-OG 3.06Å; A171-Q175 WeakPolarHBondContact O-CB 3.43Å; A171-Q175 WeakPolarHBondContact O-CG 3.22Å; A171-Q175 PolarHBondContact O-N 3.48Å
172I98.9Very high98.4Very high1 Ų156.6 Ų56.61%0.00530%0.3CS..Hα-helixtrans-65.5-47.1177.4-69.2163.3000110.8I158 L160 D168 H169 S174 Q175 L176 M187 L219I158-I172 HydrophobicContact CB-CG2 4Å; I158-I172 HydrophobicContact CD1-CG2 4.01Å; I158-I172 HydrophobicContact CG2-CD1 4.27Å; I158-I172 HydrophobicContact CG2-CG1 4.25Å; I158-I172 HydrophobicContact CG2-CG2 3.81Å; L160-I172 HydrophobicContact CB-CD1 4.08Å; L160-I172 HydrophobicContact CD1-CD1 3.63Å; L160-I172 HydrophobicContact CD2-CD1 4.41Å; L160-I172 HydrophobicContact CG-CD1 4.24Å; D168-I172 WeakPolarHBondContact O-CG1 3.16Å; D168-I172 PolarHBondContact O-N 2.94Å; H169-I172 PolarHBondContact O-N 2.96Å; I172-S174 PolarHBondContact O-N 3.06Å; I172-Q175 PolarHBondContact O-N 3.03Å; I172-L176 HydrophobicContact CG2-CD1 4.21Å; I172-L176 WeakPolarHBondContact O-CG 3.31Å; I172-L176 PolarHBondContact O-N 3.33Å; I172-M187 HydrophobicContact CB-CE 3.94Å; I172-M187 HydrophobicContact CG2-CE 3.74Å; I172-M187 HydrophobicContact CG2-CG 4.01Å; I172-M187 HydrophobicContact CG2-SD 4.13Å; I172-L219 HydrophobicContact CD1-CB 4.41Å; I172-L219 HydrophobicContact CD1-CD2 3.68Å; I172-L219 HydrophobicContact CD1-CG 4.22Å; I172-L219 HydrophobicContact CG1-CD2 3.71Å
173E98.9Very high98.5Very high59 Ų5957.7 Ų57.728%0.27630%0.303SS..Hα-helixtrans-57.1-49.2178.5-176.2177.1-15000111.1H169 Q175 L176 Q177 I183 M187H169-E173 WeakPolarHBondContact O-CB 3.45Å; H169-E173 PolarHBondContact O-N 3.08Å; E173-Q175 PolarHBondContact O-N 3.05Å; E173-L176 WeakPolarHBondContact O-CB 3.46Å; E173-L176 PolarHBondContact O-N 3.26Å; E173-Q177 VanDerWaalsContact O-CG 3.3Å; E173-Q177 WeakPolarHBondContact O-CG 3.19Å; E173-Q177 PolarHBondContact O-N 3.03Å; E173-I183 HydrophobicContact CG-CD1 4.26Å; E173-I183 HydrophobicContact CG-CG1 4.44Å; E173-I183 HydrophobicContact CG-CG2 4.14Å; E173-M187 HydrophobicContact CB-SD 4.21Å
174S98.9Very high98.6Very high41 Ų4158 Ų5829%0.28731%0.307SS..Hα-helixtrans-68.1-30.3178.758.10000113.6H142 Y170 A171 I172 Q177 L178H142-S174 PolarHBondContact CE1-OG 3.11Å; Y170-S174 VanDerWaalsContact O-CB 3.32Å; Y170-S174 WeakPolarHBondContact O-CB 3.26Å; Y170-S174 PolarHBondContact O-N 2.76Å; Y170-S174 PolarHBondContact O-OG 2.94Å; A171-S174 PolarHBondContact O-OG 2.9Å; A171-S174 VanDerWaalsContact O-OG 3.06Å; I172-S174 PolarHBondContact O-N 3.06Å; S174-Q177 PolarHBondContact O-N 2.7Å; S174-L178 WeakPolarHBondContact O-CB 3.49Å; S174-L178 PolarHBondContact O-N 3.19Å
175Q98.9Very high98.6Very high7 Ų763.5 Ų63.53%0.03333%0.331CS..Hα-helixtrans-65.7-41.6171.1-72.6-74-55.900111.4H142 L145 A171 I172 E173 L178 H179H142-Q175 PolarHBondContact ND1-NE2 2.94Å; H142-Q175 VanDerWaalsContact ND1-NE2 3.12Å; L145-Q175 HydrophobicContact CB-CG 4Å; L145-Q175 HydrophobicContact CD1-CG 3.9Å; A171-Q175 WeakPolarHBondContact O-CB 3.43Å; A171-Q175 WeakPolarHBondContact O-CG 3.22Å; A171-Q175 PolarHBondContact O-N 3.48Å; I172-Q175 PolarHBondContact O-N 3.03Å; E173-Q175 PolarHBondContact O-N 3.05Å; Q175-L178 WeakPolarHBondContact O-CB 3.16Å; Q175-L178 PolarHBondContact O-N 2.79Å; Q175-H179 PolarHBondContact O-CD2 3.28Å; Q175-H179 VanDerWaalsContact O-CD2 3.26Å; Q175-H179 PolarHBondContact O-N 3.05Å
176L98.9Very high98.7Very high0 Ų059.9 Ų59.90%032%0.315CS..Hα-helixtrans-63.5-43.6174.7-66.8170.8000111.7F149 I158 I172 E173 L178 H179 G180 L181 I183 M187F149-L176 HydrophobicContact CE1-CD2 3.98Å; F149-L176 HydrophobicContact CE2-CD2 4.43Å; F149-L176 HydrophobicContact CZ-CD2 3.56Å; I158-L176 HydrophobicContact CD1-CD2 4.09Å; I158-L176 HydrophobicContact CD1-CG 4.32Å; I158-L176 HydrophobicContact CG1-CD2 4.22Å; I172-L176 HydrophobicContact CG2-CD1 4.21Å; I172-L176 WeakPolarHBondContact O-CG 3.31Å; I172-L176 PolarHBondContact O-N 3.33Å; E173-L176 WeakPolarHBondContact O-CB 3.46Å; E173-L176 PolarHBondContact O-N 3.26Å; L176-L178 VanDerWaalsContact C-N 3.31Å; L176-L178 PolarHBondContact O-N 2.78Å; L176-H179 PolarHBondContact O-N 3.16Å; L176-H179 VanDerWaalsContact O-N 3.14Å; L176-G180 PolarHBondContact O-N 3.19Å; L176-L181 HydrophobicContact CB-CB 4.38Å; L176-L181 HydrophobicContact CD2-CB 4.42Å; L176-L181 HydrophobicContact CD2-CD1 3.74Å; L176-L181 PolarHBondContact O-N 2.84Å; L176-L181 VanDerWaalsContact O-N 3.08Å; L176-I183 HydrophobicContact CB-CD1 3.65Å; L176-I183 HydrophobicContact CD1-CD1 4.38Å; L176-M187 HydrophobicContact CD1-CB 3.55Å; L176-M187 HydrophobicContact CD1-CG 4.06Å; L176-M187 HydrophobicContact CD1-SD 4.46Å
177Q98.9Very high98.8Very high111 Ų11157.5 Ų57.552%0.51930%0.299SS..Hα-helixtrans-60.2-39.7175.7-68.4170.5-7.500112.1E173 S174 H179 G180 I183E173-Q177 VanDerWaalsContact O-CG 3.3Å; E173-Q177 WeakPolarHBondContact O-CG 3.19Å; E173-Q177 PolarHBondContact O-N 3.03Å; S174-Q177 PolarHBondContact O-N 2.7Å; Q177-H179 PolarHBondContact O-N 2.8Å; Q177-G180 PolarHBondContact O-N 3.41Å; Q177-I183 HydrophobicContact CG-CD1 3.72Å; Q177-I183 HydrophobicContact CG-CG1 4.46Å
178L98.9Very high98.8Very high113 Ų11359.1 Ų59.159%0.59230%0.3SS*.Hα-helixtrans-58.6-29.7177.6-174.465000112.5L146 S174 Q175 L176L146-L178 HydrophobicContact CD2-CD2 3.53Å; S174-L178 WeakPolarHBondContact O-CB 3.49Å; S174-L178 PolarHBondContact O-N 3.19Å; Q175-L178 WeakPolarHBondContact O-CB 3.16Å; Q175-L178 PolarHBondContact O-N 2.79Å; L176-L178 VanDerWaalsContact C-N 3.31Å; L176-L178 PolarHBondContact O-N 2.78Å
179H98.8Very high98.8Very high83 Ų8361.5 Ų61.538%0.38431%0.311SS..THydrogen-bonded Turntrans-95.35.7176-70.2-79.8000113.9F149 P151 Q175 L176 Q177 L181F149-H179 AromaticContact CD1-CD2 3.68Å; F149-H179 AromaticContact CD1-NE2 3.9Å; F149-H179 AromaticContact CE1-CD2 3.57Å; P151-H179 HydrophobicContact CG-CB 3.92Å; Q175-H179 PolarHBondContact O-CD2 3.28Å; Q175-H179 VanDerWaalsContact O-CD2 3.26Å; Q175-H179 PolarHBondContact O-N 3.05Å; L176-H179 PolarHBondContact O-N 3.16Å; L176-H179 VanDerWaalsContact O-N 3.14Å; Q177-H179 PolarHBondContact O-N 2.8Å; H179-L181 VanDerWaalsContact C-N 3.25Å; H179-L181 HydrophobicContact CB-CD1 4.14Å; H179-L181 HydrophobicContact CB-CG 4.05Å; H179-L181 PolarHBondContact O-N 2.93Å
180G98.7Very high98.8Very high71 Ų7159.4 Ų59.473%0.73230%0.302SS*.THydrogen-bonded Turntrans66.523.9-179.100000114L176 Q177L176-G180 PolarHBondContact O-N 3.19Å; Q177-G180 PolarHBondContact O-N 3.41Å
181L98.8Very high98.7Very high41 Ų4160 Ų6022%0.21531%0.307CS..  trans-84.1145.9-178.3-65.1174.3000111.6F149 P151 L176 H179 I183F149-L181 HydrophobicContact CE1-CD1 4.14Å; F149-L181 HydrophobicContact CZ-CD1 3.67Å; P151-L181 HydrophobicContact CB-CD1 3.9Å; P151-L181 HydrophobicContact CG-CD1 4.06Å; L176-L181 HydrophobicContact CB-CB 4.38Å; L176-L181 HydrophobicContact CD2-CB 4.42Å; L176-L181 HydrophobicContact CD2-CD1 3.74Å; L176-L181 PolarHBondContact O-N 2.84Å; L176-L181 VanDerWaalsContact O-N 3.08Å; H179-L181 VanDerWaalsContact C-N 3.25Å; H179-L181 HydrophobicContact CB-CD1 4.14Å; H179-L181 HydrophobicContact CB-CG 4.05Å; H179-L181 PolarHBondContact O-N 2.93Å; L181-I183 PolarHBondContact O-N 3.23Å
182N98.8Very high98.7Very high81 Ų8162.1 Ų62.143%0.43332%0.321SS..  trans-68.1126.3170.9-177.6-55.9000109.8E184 E185 S186N182-E184 PolarHBondContact OD1-N 3Å; N182-E185 HydrophobicContact CB-CB 4.24Å; N182-E185 HydrophobicContact CB-CG 4.28Å; N182-E185 PolarHBondContact OD1-N 3.12Å; N182-S186 WeakPolarHBondContact O-CB 3.25Å; N182-S186 PolarHBondContact O-N 3Å; N182-S186 PolarHBondContact O-OG 2.88Å
183I98.6Very high98.7Very high43 Ų4367.3 Ų67.322%0.22134%0.341CS..Hα-helixtrans-68-45-174.1-51.4-53.9000112E173 L176 Q177 L181 E185 S186 M187E173-I183 HydrophobicContact CG-CD1 4.26Å; E173-I183 HydrophobicContact CG-CG1 4.44Å; E173-I183 HydrophobicContact CG-CG2 4.14Å; L176-I183 HydrophobicContact CB-CD1 3.65Å; L176-I183 HydrophobicContact CD1-CD1 4.38Å; Q177-I183 HydrophobicContact CG-CD1 3.72Å; Q177-I183 HydrophobicContact CG-CG1 4.46Å; L181-I183 PolarHBondContact O-N 3.23Å; I183-E185 VanDerWaalsContact C-N 3.27Å; I183-E185 PolarHBondContact O-N 3.33Å; I183-S186 PolarHBondContact O-N 2.62Å; I183-M187 HydrophobicContact CG2-CB 4.1Å; I183-M187 HydrophobicContact CG2-SD 4.09Å; I183-M187 WeakPolarHBondContact O-CB 3.46Å; I183-M187 PolarHBondContact O-N 3.17Å
184E98.1Very high98.6Very high184 Ų18473.8 Ų73.886%0.8637%0.371SS*.Hα-helixtrans-62.3-37-178.4-171.7175.7179.900111.7N182N182-E184 PolarHBondContact OD1-N 3Å
185E98.4Very high98.4Very high124 Ų12475.6 Ų75.658%0.57940%0.396SS*.Hα-helixtrans-81.8-29.7-179.6-63.4178.5172.300113.5N182 I183N182-E185 HydrophobicContact CB-CB 4.24Å; N182-E185 HydrophobicContact CB-CG 4.28Å; N182-E185 PolarHBondContact OD1-N 3.12Å; I183-E185 VanDerWaalsContact C-N 3.27Å; I183-E185 PolarHBondContact O-N 3.33Å
186S98.8Very high98.3Very high2 Ų277.8 Ų77.81%0.01441%0.407CS..Hα-helixtrans-104.7-21.5-168.9-48.60000113.7Y156 K157 I158 N182 I183 R188Y156-S186 WeakPolarHBondContact CD2-OG 3.38Å; K157-S186 CarbonylContact C-O 3.31Å; K157-S186 VanDerWaalsContact CA-O 3.24Å; K157-S186 WeakPolarHBondContact CA-O 3.37Å; I158-S186 PolarHBondContact N-O 2.98Å; N182-S186 WeakPolarHBondContact O-CB 3.25Å; N182-S186 PolarHBondContact O-N 3Å; N182-S186 PolarHBondContact O-OG 2.88Å; I183-S186 PolarHBondContact O-N 2.62Å; S186-R188 PolarHBondContact O-N 2.91Å
187M98.9Very high98.2Very high8 Ų882 Ų824%0.03943%0.426CS..EExtended strand (participates in β ladder)trans-95.883.3179.1-163.2168.3-179.300110.6L160 H169 I172 E173 L176 I183 M189L160-M187 HydrophobicContact CD1-CE 3.69Å; L160-M187 HydrophobicContact CD2-CE 4.13Å; L160-M187 HydrophobicContact CD2-CG 3.78Å; H169-M187 HydrophobicContact CB-CE 4.44Å; H169-M187 WeakPolarHBondContact ND1-CE 3.31Å; H169-M187 WeakPolarHBondContact O-CE 3.45Å; I172-M187 HydrophobicContact CB-CE 3.94Å; I172-M187 HydrophobicContact CG2-CE 3.74Å; I172-M187 HydrophobicContact CG2-CG 4.01Å; I172-M187 HydrophobicContact CG2-SD 4.13Å; E173-M187 HydrophobicContact CB-SD 4.21Å; L176-M187 HydrophobicContact CD1-CB 3.55Å; L176-M187 HydrophobicContact CD1-CG 4.06Å; L176-M187 HydrophobicContact CD1-SD 4.46Å; I183-M187 HydrophobicContact CG2-CB 4.1Å; I183-M187 HydrophobicContact CG2-SD 4.09Å; I183-M187 WeakPolarHBondContact O-CB 3.46Å; I183-M187 PolarHBondContact O-N 3.17Å; M187-M189 HydrophobicContact CG-CE 4.5Å; M187-M189 HydrophobicContact CG-CG 4.38Å; M187-M189 PolarHBondContact O-N 3.47Å
188R98.8Very high98.2Very high68 Ų6878.1 Ų78.126%0.25741%0.41SS..EExtended strand (participates in β ladder)trans-80.9102.3-174.7-176.163.4-173.882.16.3110.7K157 I158 L159 L160 S186 E211K157-R188 HydrophobicContact CD-CB 4.46Å; I158-R188 PolarHBondContact O-N 3.42Å; L159-R188 WeakPolarHBondContact CA-O 3.36Å; L159-R188 HydrophobicContact CD1-CB 3.99Å; L159-R188 HydrophobicContact CD1-CG 3.49Å; L159-R188 VanDerWaalsContact CD1-CG 3.49Å; L159-R188 WeakPolarHBondContact CD1-O 3.19Å; L160-R188 PolarHBondContact N-O 2.97Å; S186-R188 PolarHBondContact O-N 2.91Å; R188-E211 WeakPolarHBondContact CD-OE2 3.46Å; R188-E211 IonicContact CZ-OE1 2.9Å; R188-E211 IonicContact NE-OE1 2.69Å; R188-E211 PolarHBondContact NE-OE1 2.87Å; R188-E211 IonicContact NE-OE2 3.28Å; R188-E211 PolarHBondContact NE-OE2 3.38Å; R188-E211 IonicContact NH2-OE1 3.73Å; R188-E211 PolarHBondContact NH2-OE1 3.39Å
189M98.8Very high98.1Very high60 Ų6073.4 Ų73.430%0.29639%0.385SS..EExtended strand (participates in β ladder)trans-100.6118.1-179.2-69.5175.4-80.300112.9L160 A162 M187 K191L160-M189 HydrophobicContact CD1-CG 4.2Å; L160-M189 HydrophobicContact CD2-CG 3.59Å; L160-M189 HydrophobicContact CG-CG 3.84Å; L160-M189 CarbonylContact O-C 3.47Å; L160-M189 WeakPolarHBondContact O-CA 3.15Å; A162-M189 HydrophobicContact CB-CB 4.03Å; M187-M189 HydrophobicContact CG-CE 4.5Å; M187-M189 HydrophobicContact CG-CG 4.38Å; M187-M189 PolarHBondContact O-N 3.47Å; M189-K191 PolarHBondContact O-N 2.87Å
190I98.5Very high98.1Very high5 Ų574 Ų743%0.02638%0.384CS..EExtended strand (participates in β ladder)trans-77.2121.7176.4-58.6179.1000109.7L159 L160 A162 L199 I204 V207 F220L159-I190 HydrophobicContact CD1-CD1 3.81Å; L159-I190 HydrophobicContact CD1-CG1 3.73Å; L159-I190 HydrophobicContact CD2-CD1 4.13Å; L159-I190 HydrophobicContact CG-CD1 4.2Å; L160-I190 PolarHBondContact O-N 3.46Å; A162-I190 WeakPolarHBondContact CB-O 3.12Å; A162-I190 PolarHBondContact N-O 3.27Å; I190-L199 HydrophobicContact CB-CD1 4.15Å; I190-L199 HydrophobicContact CG2-CD1 3.92Å; I190-L199 HydrophobicContact CG2-CD2 3.94Å; I190-I204 HydrophobicContact CD1-CB 4.39Å; I190-I204 HydrophobicContact CD1-CG1 4.32Å; I190-I204 HydrophobicContact CD1-CG2 4.17Å; I190-V207 HydrophobicContact CD1-CB 4.02Å; I190-V207 HydrophobicContact CD1-CG1 3.97Å; I190-V207 HydrophobicContact CD1-CG2 4.36Å; I190-V207 HydrophobicContact CG1-CB 4.48Å; I190-V207 HydrophobicContact CG1-CG1 4.15Å; I190-V207 HydrophobicContact CG1-CG2 4.45Å; I190-F220 HydrophobicContact CD1-CE2 4.38Å; I190-F220 HydrophobicContact CD1-CZ 3.99Å
191K98.6Very high98.1Very high156 Ų15673.3 Ų73.368%0.67836%0.363SS*.PPolyproline II helixtrans-98.7148.7177.1-64.8177.1-176.5177.40109.9A162 M189 L199A162-K191 HydrophobicContact CB-CB 4.36Å; A162-K191 HydrophobicContact CB-CG 3.61Å; M189-K191 PolarHBondContact O-N 2.87Å; K191-L199 VanDerWaalsContact C-CD2 3.44Å
192P98.3Very high98.1Very high47 Ų4775.8 Ų75.831%0.30537%0.374SS..PPolyproline II helixtrans-63.8162.8169.630.3-36.2000110.5E196 T198 L199P192-E196 HydrophobicContact CB-CB 4.12Å; P192-E196 VanDerWaalsContact CB-O 3.29Å; P192-E196 WeakPolarHBondContact CB-O 3.49Å; P192-E196 WeakPolarHBondContact CG-O 3.36Å; P192-T198 WeakPolarHBondContact CB-O 3.36Å; P192-L199 HydrophobicContact CB-CD2 4.07Å; P192-L199 VanDerWaalsContact N-CD2 3.3Å
193R98.4Very high98.1Very high109 Ų10973 Ų7341%0.41136%0.359SS..PPolyproline II helixtrans-64.3158.9171.5-61.3-178.2-179.5-167.20.1110.2G195 E196 D203R193-G195 PolarHBondContact O-N 3.46Å; R193-E196 WeakPolarHBondContact O-CB 3.36Å; R193-E196 PolarHBondContact O-N 3.38Å; R193-D203 IonicContact CZ-OD1 2.71Å; R193-D203 IonicContact CZ-OD2 2.79Å; R193-D203 IonicContact NE-OD1 3.85Å; R193-D203 PolarHBondContact NE-OD1 3.02Å; R193-D203 IonicContact NE-OD2 2.77Å; R193-D203 PolarHBondContact NE-OD2 3.29Å; R193-D203 IonicContact NH2-OD1 3.64Å; R193-D203 PolarHBondContact NH2-OD1 3.22Å; R193-D203 IonicContact NH2-OD2 3.23Å
194E97.3Very high98.2Very high195 Ų19571 Ų7191%0.91135%0.349SS*.THydrogen-bonded Turntrans-56.2130.5177.2-170.860.2-146.500110.7E196E194-E196 VanDerWaalsContact C-N 3.3Å
195G94.6Very high98.2Very high79 Ų7965.1 Ų65.181%0.81432%0.323SS*.THydrogen-bonded Turntrans80.80.1-175.400000115.7R193R193-G195 PolarHBondContact O-N 3.46Å
196E96.7Very high98.2Very high54 Ų5463.8 Ų63.825%0.25232%0.316SS..  trans-110.8151175.6-66.3175.2-156.500111.4P192 R193 E194 R200P192-E196 HydrophobicContact CB-CB 4.12Å; P192-E196 VanDerWaalsContact CB-O 3.29Å; P192-E196 WeakPolarHBondContact CB-O 3.49Å; P192-E196 WeakPolarHBondContact CG-O 3.36Å; R193-E196 WeakPolarHBondContact O-CB 3.36Å; R193-E196 PolarHBondContact O-N 3.38Å; E194-E196 VanDerWaalsContact C-N 3.3Å; E196-R200 IonicContact OE1-CZ 3.63Å; E196-R200 VanDerWaalsContact OE1-CZ 3.25Å; E196-R200 IonicContact OE1-NE 3.02Å; E196-R200 PolarHBondContact OE1-NE 2.81Å; E196-R200 VanDerWaalsContact OE1-NE 3.1Å; E196-R200 IonicContact OE1-NH2 3.8Å; E196-R200 PolarHBondContact OE1-NH2 3.31Å; E196-R200 IonicContact OE2-CZ 2.69Å; E196-R200 IonicContact OE2-NE 3.33Å; E196-R200 PolarHBondContact OE2-NE 2.92Å; E196-R200 IonicContact OE2-NH2 3.59Å
197E96.3Very high98.2Very high89 Ų8964.7 Ų64.742%0.41632%0.322SS..SBendtrans-109.2-21.4173.5-66.8-171.8-118.100112.5Y226 T227 I391E197-Y226 VanDerWaalsContact OE2-CE1 3.24Å; E197-Y226 WeakPolarHBondContact OE2-CE1 3.48Å; E197-Y226 PolarHBondContact OE2-OH 2.87Å; E197-T227 HydrophobicContact CB-CG2 4.37Å; E197-T227 WeakPolarHBondContact O-CG2 3.32Å; E197-I391 HydrophobicContact CB-CG2 3.79Å; E197-I391 WeakPolarHBondContact OE1-CD1 3.44Å; E197-I391 WeakPolarHBondContact OE1-CG1 3.49Å; E197-I391 WeakPolarHBondContact OE2-CD1 3.48Å
198T98.4Very high98.2Very high29 Ų2964.3 Ų64.318%0.17832%0.32CS..SBendtrans-99.4155.1178.151.40000111.2P192 T227 Q229 I391 P393P192-T198 WeakPolarHBondContact CB-O 3.36Å; T198-T227 HydrophobicContact CG2-CG2 4.32Å; T198-Q229 HydrophobicContact CG2-CB 4.3Å; T198-I391 HydrophobicContact CG2-CG2 4.4Å; T198-P393 HydrophobicContact CG2-CG 4.02Å
199L98.8Very high98.2Very high14 Ų1466.4 Ų66.47%0.07333%0.333CS..PPolyproline II helixtrans-88.1144.4174.8-56.3-177.5000110.5E161 I190 K191 P192 I204 F220 Q229 F231E161-L199 HydrophobicContact CB-CD1 3.9Å; I190-L199 HydrophobicContact CB-CD1 4.15Å; I190-L199 HydrophobicContact CG2-CD1 3.92Å; I190-L199 HydrophobicContact CG2-CD2 3.94Å; K191-L199 VanDerWaalsContact C-CD2 3.44Å; P192-L199 HydrophobicContact CB-CD2 4.07Å; P192-L199 VanDerWaalsContact N-CD2 3.3Å; L199-I204 HydrophobicContact CB-CD1 3.9Å; L199-I204 HydrophobicContact CB-CG1 4.14Å; L199-I204 HydrophobicContact CD1-CD1 4.06Å; L199-I204 HydrophobicContact CD1-CG1 4.14Å; L199-F220 HydrophobicContact CD1-CE1 4.04Å; L199-F220 HydrophobicContact CD1-CZ 4.26Å; L199-Q229 PolarHBondContact O-NE2 2.77Å; L199-F231 HydrophobicContact CB-CE1 4.13Å; L199-F231 HydrophobicContact CD1-CE1 3.99Å; L199-F231 HydrophobicContact CD1-CZ 4.21Å; L199-F231 HydrophobicContact CG-CE1 4.29Å
200R98.8Very high98.2Very high95 Ų9570.7 Ų70.736%0.35835%0.35SS..PPolyproline II helixtrans-88.8140.9169.1-51.5-172.5179.2-156.7-1.4109.7E196 E202 D203 I204E196-R200 IonicContact OE1-CZ 3.63Å; E196-R200 VanDerWaalsContact OE1-CZ 3.25Å; E196-R200 IonicContact OE1-NE 3.02Å; E196-R200 PolarHBondContact OE1-NE 2.81Å; E196-R200 VanDerWaalsContact OE1-NE 3.1Å; E196-R200 IonicContact OE1-NH2 3.8Å; E196-R200 PolarHBondContact OE1-NH2 3.31Å; E196-R200 IonicContact OE2-CZ 2.69Å; E196-R200 IonicContact OE2-NE 3.33Å; E196-R200 PolarHBondContact OE2-NE 2.92Å; E196-R200 IonicContact OE2-NH2 3.59Å; R200-E202 VanDerWaalsContact C-N 3.27Å; R200-E202 VanDerWaalsContact CB-CD 3.48Å; R200-E202 HydrophobicContact CB-CG 4.31Å; R200-E202 WeakPolarHBondContact CB-OE1 3.42Å; R200-E202 WeakPolarHBondContact CB-OE2 3.47Å; R200-E202 VanDerWaalsContact CD-OE1 3.27Å; R200-E202 WeakPolarHBondContact CD-OE1 3.42Å; R200-E202 IonicContact NH1-OE1 2.75Å; R200-E202 PolarHBondContact O-N 3.26Å; R200-D203 PolarHBondContact O-N 3.14Å; R200-D203 VanDerWaalsContact O-N 3.17Å; R200-I204 PolarHBondContact O-N 2.76Å
201I98.6Very high98.2Very high56 Ų5672.7 Ų72.729%0.28736%0.359SS..Hα-helixtrans-62.8-37.8-175.9-176.658.6000111.2D203 I204 L205 N232 I236I201-D203 VanDerWaalsContact C-N 3.28Å; I201-D203 PolarHBondContact O-N 3.34Å; I201-I204 HydrophobicContact CD1-CD1 4.48Å; I201-I204 WeakPolarHBondContact O-CB 3.13Å; I201-I204 PolarHBondContact O-N 3.11Å; I201-I204 VanDerWaalsContact O-N 3.16Å; I201-L205 HydrophobicContact CD1-CD2 4.3Å; I201-L205 HydrophobicContact CD1-CG 4.12Å; I201-L205 HydrophobicContact CG1-CD1 4.1Å; I201-L205 HydrophobicContact CG1-CG 4.16Å; I201-L205 VanDerWaalsContact O-CG 3.3Å; I201-L205 WeakPolarHBondContact O-CG 3.39Å; I201-L205 PolarHBondContact O-N 3.26Å; I201-N232 HydrophobicContact CD1-CB 4.24Å; I201-I236 HydrophobicContact CD1-CG1 4.11Å
202E98.8Very high98.3Very high93 Ų9365.2 Ų65.244%0.43533%0.326SS..Hα-helixtrans-60-35.817763.8-86.2-157.900112.9R200 L205 E206R200-E202 VanDerWaalsContact C-N 3.27Å; R200-E202 VanDerWaalsContact CB-CD 3.48Å; R200-E202 HydrophobicContact CB-CG 4.31Å; R200-E202 WeakPolarHBondContact CB-OE1 3.42Å; R200-E202 WeakPolarHBondContact CB-OE2 3.47Å; R200-E202 VanDerWaalsContact CD-OE1 3.27Å; R200-E202 WeakPolarHBondContact CD-OE1 3.42Å; R200-E202 IonicContact NH1-OE1 2.75Å; R200-E202 PolarHBondContact O-N 3.26Å; E202-L205 PolarHBondContact O-N 2.92Å; E202-E206 VanDerWaalsContact O-CB 3.28Å; E202-E206 WeakPolarHBondContact O-CB 3.44Å; E202-E206 PolarHBondContact O-N 2.9Å
203D98.8Very high98.3Very high24 Ų2467.7 Ų67.713%0.12834%0.337CS..Hα-helixtrans-70.8-38.3177.5-63.9-23.8000111R193 R200 I201 V207R193-D203 IonicContact CZ-OD1 2.71Å; R193-D203 IonicContact CZ-OD2 2.79Å; R193-D203 IonicContact NE-OD1 3.85Å; R193-D203 PolarHBondContact NE-OD1 3.02Å; R193-D203 IonicContact NE-OD2 2.77Å; R193-D203 PolarHBondContact NE-OD2 3.29Å; R193-D203 IonicContact NH2-OD1 3.64Å; R193-D203 PolarHBondContact NH2-OD1 3.22Å; R193-D203 IonicContact NH2-OD2 3.23Å; R200-D203 PolarHBondContact O-N 3.14Å; R200-D203 VanDerWaalsContact O-N 3.17Å; I201-D203 VanDerWaalsContact C-N 3.28Å; I201-D203 PolarHBondContact O-N 3.34Å; D203-V207 WeakPolarHBondContact O-CG2 3.46Å; D203-V207 PolarHBondContact O-N 3.49Å; D203-V207 VanDerWaalsContact O-N 3.08Å
204I98.9Very high98.3Very high1 Ų163.6 Ų63.61%0.00533%0.325CS..Hα-helixtrans-63.1-49.1175.3-61.2169.3000109.8I190 L199 R200 I201 E206 V207 I208 F220 F231 I236I190-I204 HydrophobicContact CD1-CB 4.39Å; I190-I204 HydrophobicContact CD1-CG1 4.32Å; I190-I204 HydrophobicContact CD1-CG2 4.17Å; L199-I204 HydrophobicContact CB-CD1 3.9Å; L199-I204 HydrophobicContact CB-CG1 4.14Å; L199-I204 HydrophobicContact CD1-CD1 4.06Å; L199-I204 HydrophobicContact CD1-CG1 4.14Å; R200-I204 PolarHBondContact O-N 2.76Å; I201-I204 HydrophobicContact CD1-CD1 4.48Å; I201-I204 WeakPolarHBondContact O-CB 3.13Å; I201-I204 PolarHBondContact O-N 3.11Å; I201-I204 VanDerWaalsContact O-N 3.16Å; I204-E206 VanDerWaalsContact C-N 3.35Å; I204-E206 PolarHBondContact O-N 3.44Å; I204-V207 PolarHBondContact O-N 2.86Å; I204-I208 HydrophobicContact CG2-CD1 3.89Å; I204-I208 VanDerWaalsContact O-CG1 3.32Å; I204-I208 WeakPolarHBondContact O-CG1 3.4Å; I204-I208 PolarHBondContact O-N 2.94Å; I204-F220 HydrophobicContact CD1-CE1 4.07Å; I204-F220 HydrophobicContact CG2-CZ 4.4Å; I204-F231 HydrophobicContact CD1-CD1 3.89Å; I204-F231 HydrophobicContact CD1-CE1 4Å; I204-I236 HydrophobicContact CD1-CD1 4.41Å; I204-I236 HydrophobicContact CG2-CD1 4.26Å; I204-I236 HydrophobicContact CG2-CG1 4.11Å
205L98.9Very high98.4Very high60 Ų6054.3 Ų54.331%0.31428%0.282SS..Hα-helixtrans-64.7-38.6-179.3-63.2-177000111.9I201 E202 I208 E209 A239I201-L205 HydrophobicContact CD1-CD2 4.3Å; I201-L205 HydrophobicContact CD1-CG 4.12Å; I201-L205 HydrophobicContact CG1-CD1 4.1Å; I201-L205 HydrophobicContact CG1-CG 4.16Å; I201-L205 VanDerWaalsContact O-CG 3.3Å; I201-L205 WeakPolarHBondContact O-CG 3.39Å; I201-L205 PolarHBondContact O-N 3.26Å; E202-L205 PolarHBondContact O-N 2.92Å; L205-I208 PolarHBondContact O-N 2.91Å; L205-E209 WeakPolarHBondContact O-CB 3.17Å; L205-E209 PolarHBondContact O-N 3.34Å; L205-A239 HydrophobicContact CD2-CB 3.55Å
206E98.9Very high98.6Very high95 Ų9550.8 Ų50.844%0.44425%0.245SC..Hα-helixtrans-62.7-43.3175.8-176.2178.7-164.600112E202 I204 E209 K210E202-E206 VanDerWaalsContact O-CB 3.28Å; E202-E206 WeakPolarHBondContact O-CB 3.44Å; E202-E206 PolarHBondContact O-N 2.9Å; I204-E206 VanDerWaalsContact C-N 3.35Å; I204-E206 PolarHBondContact O-N 3.44Å; E206-E209 PolarHBondContact O-N 3.38Å; E206-K210 HydrophobicContact CG-CD 4.06Å; E206-K210 WeakPolarHBondContact O-CB 3.25Å; E206-K210 WeakPolarHBondContact O-CG 3.38Å; E206-K210 PolarHBondContact O-N 3.18Å; E206-K210 WeakPolarHBondContact OE1-CE 3.5Å; E206-K210 IonicContact OE1-NZ 3.18Å; E206-K210 PolarHBondContact OE1-NZ 3.22Å
207V98.9Very high98.7Very high21 Ų2148.2 Ų48.213%0.12723%0.233CC..Hα-helixtrans-63.1-44.3175.8170.60000110.9L159 I190 D203 I204 E209 K210 E211L159-V207 HydrophobicContact CD1-CG1 3.85Å; L159-V207 HydrophobicContact CD2-CG1 4.49Å; I190-V207 HydrophobicContact CD1-CB 4.02Å; I190-V207 HydrophobicContact CD1-CG1 3.97Å; I190-V207 HydrophobicContact CD1-CG2 4.36Å; I190-V207 HydrophobicContact CG1-CB 4.48Å; I190-V207 HydrophobicContact CG1-CG1 4.15Å; I190-V207 HydrophobicContact CG1-CG2 4.45Å; D203-V207 WeakPolarHBondContact O-CG2 3.46Å; D203-V207 PolarHBondContact O-N 3.49Å; D203-V207 VanDerWaalsContact O-N 3.08Å; I204-V207 PolarHBondContact O-N 2.86Å; V207-E209 VanDerWaalsContact C-N 3.35Å; V207-E209 PolarHBondContact O-N 3.45Å; V207-K210 PolarHBondContact O-N 3.15Å; V207-E211 WeakPolarHBondContact O-CB 3.19Å; V207-E211 PolarHBondContact O-N 3.4Å
208I98.9Very high98.8Very high1 Ų144 Ų441%0.00521%0.213CC..Hα-helixtrans-61.1-45.5177.5-67.2168.7000110.6L159 I204 L205 K210 G212 I218 I236 A239 K243L159-I208 HydrophobicContact CD2-CD1 4.38Å; L159-I208 HydrophobicContact CD2-CG1 3.62Å; I204-I208 HydrophobicContact CG2-CD1 3.89Å; I204-I208 VanDerWaalsContact O-CG1 3.32Å; I204-I208 WeakPolarHBondContact O-CG1 3.4Å; I204-I208 PolarHBondContact O-N 2.94Å; L205-I208 PolarHBondContact O-N 2.91Å; I208-K210 PolarHBondContact O-N 3.27Å; I208-G212 WeakPolarHBondContact O-CA 3.23Å; I208-G212 PolarHBondContact O-N 2.87Å; I208-I218 HydrophobicContact CD1-CD1 3.76Å; I208-I218 HydrophobicContact CG1-CD1 3.8Å; I208-I218 HydrophobicContact CG2-CD1 4.23Å; I208-I236 HydrophobicContact CD1-CG2 4.22Å; I208-A239 HydrophobicContact CB-CB 4.49Å; I208-A239 HydrophobicContact CD1-CB 4.14Å; I208-A239 HydrophobicContact CG2-CB 3.94Å; I208-A239 WeakPolarHBondContact CG2-O 3.29Å; I208-K243 HydrophobicContact CG2-CG 4.17Å
209E98.9Very high98.8Very high111 Ų11142.8 Ų42.852%0.51921%0.206SC..Hα-helixtrans-62.5-45.3-179.9-176.851.7-129.500111.8L205 E206 V207 K243L205-E209 WeakPolarHBondContact O-CB 3.17Å; L205-E209 PolarHBondContact O-N 3.34Å; E206-E209 PolarHBondContact O-N 3.38Å; V207-E209 VanDerWaalsContact C-N 3.35Å; V207-E209 PolarHBondContact O-N 3.45Å; E209-K243 WeakPolarHBondContact O-CE 3.49Å; E209-K243 PolarHBondContact O-NZ 2.94Å; E209-K243 IonicContact OE1-NZ 2.89Å; E209-K243 PolarHBondContact OE1-NZ 3.35Å
210K98.8Very high98.9Very high151 Ų15142.2 Ų42.266%0.65720%0.203SC*.Hα-helixtrans-74.2-38.8-176.8-71.1-179.3-176.9176.90113.8E206 V207 I208E206-K210 HydrophobicContact CG-CD 4.06Å; E206-K210 WeakPolarHBondContact O-CB 3.25Å; E206-K210 WeakPolarHBondContact O-CG 3.38Å; E206-K210 PolarHBondContact O-N 3.18Å; E206-K210 WeakPolarHBondContact OE1-CE 3.5Å; E206-K210 IonicContact OE1-NZ 3.18Å; E206-K210 PolarHBondContact OE1-NZ 3.22Å; V207-K210 PolarHBondContact O-N 3.15Å; I208-K210 PolarHBondContact O-N 3.27Å
211E98.8Very high98.9Very high46 Ų4638.2 Ų38.222%0.21519%0.189CC..Hα-helixtrans-108.7-8.6-170.7-59.6-168.9-127.900113.8K157 R188 V207 D213 S214 I215K157-E211 IonicContact NZ-OE2 3.13Å; K157-E211 PolarHBondContact NZ-OE2 2.8Å; R188-E211 WeakPolarHBondContact CD-OE2 3.46Å; R188-E211 IonicContact CZ-OE1 2.9Å; R188-E211 IonicContact NE-OE1 2.69Å; R188-E211 PolarHBondContact NE-OE1 2.87Å; R188-E211 IonicContact NE-OE2 3.28Å; R188-E211 PolarHBondContact NE-OE2 3.38Å; R188-E211 IonicContact NH2-OE1 3.73Å; R188-E211 PolarHBondContact NH2-OE1 3.39Å; V207-E211 WeakPolarHBondContact O-CB 3.19Å; V207-E211 PolarHBondContact O-N 3.4Å; E211-D213 VanDerWaalsContact C-N 3.27Å; E211-D213 PolarHBondContact O-N 3.32Å; E211-D213 VanDerWaalsContact O-N 3.12Å; E211-S214 PolarHBondContact O-N 3.17Å; E211-S214 PolarHBondContact O-OG 3.09Å; E211-I215 HydrophobicContact CB-CD1 3.91Å
212G98.8Very high98.9Very high0 Ų035.5 Ų35.50%018%0.175CC..G310 helixtrans-55.3-33.6-169.100000115.2R155 I208 S214 I215 C245R155-G212 PolarHBondContact NH1-O 3.4Å; I208-G212 WeakPolarHBondContact O-CA 3.23Å; I208-G212 PolarHBondContact O-N 2.87Å; G212-S214 PolarHBondContact O-N 3.35Å; G212-I215 PolarHBondContact O-N 3.28Å; G212-I215 VanDerWaalsContact O-N 3.09Å; G212-C245 PolarHBondContact O-SG 3.09Å
213D98.8Very high98.9Very high98 Ų9831.2 Ų31.252%0.52416%0.155SC..G310 helixtrans-64-23.8178.9-64.2-40.5000113R155 E211 K243R155-D213 PolarHBondContact NH2-O 2.73Å; E211-D213 VanDerWaalsContact C-N 3.27Å; E211-D213 PolarHBondContact O-N 3.32Å; E211-D213 VanDerWaalsContact O-N 3.12Å; D213-K243 IonicContact OD2-NZ 3.67Å
214S98.9Very high98.9Very high24 Ų2430.6 Ų30.617%0.16815%0.152CC..G310 helixtrans-96.1-6.7177.469.10000114.5K154 R155 Y156 K157 E211 G212K154-S214 WeakPolarHBondContact O-CA 3.48Å; R155-S214 CarbonylContact C-O 3.56Å; R155-S214 WeakPolarHBondContact CA-O 3.32Å; Y156-S214 PolarHBondContact N-O 3.16Å; K157-S214 WeakPolarHBondContact CD-OG 3.31Å; K157-S214 PolarHBondContact N-O 2.58Å; K157-S214 PolarHBondContact NZ-OG 3.23Å; E211-S214 PolarHBondContact O-N 3.17Å; E211-S214 PolarHBondContact O-OG 3.09Å; G212-S214 PolarHBondContact O-N 3.35Å
215I98.9Very high98.8Very high0 Ų032 Ų320%016%0.158CC..EExtended strand (participates in β ladder)trans-95.2121.7-176.5-65.7163.5000109.7R155 K157 L159 E211 G212 V217 I218 C245R155-I215 WeakPolarHBondContact CD-O 3.42Å; R155-I215 VanDerWaalsContact CG-C 3.4Å; R155-I215 WeakPolarHBondContact CG-O 3.44Å; R155-I215 PolarHBondContact NH1-O 3.49Å; K157-I215 HydrophobicContact CB-CG1 4Å; K157-I215 HydrophobicContact CD-CG1 4.39Å; L159-I215 HydrophobicContact CB-CD1 4Å; L159-I215 HydrophobicContact CB-CG1 4.44Å; L159-I215 HydrophobicContact CB-CG2 3.96Å; L159-I215 HydrophobicContact CD1-CD1 4.32Å; L159-I215 HydrophobicContact CD2-CD1 4.05Å; L159-I215 HydrophobicContact CG-CD1 4.35Å; E211-I215 HydrophobicContact CB-CD1 3.91Å; G212-I215 PolarHBondContact O-N 3.28Å; G212-I215 VanDerWaalsContact O-N 3.09Å; I215-V217 WeakPolarHBondContact CG2-O 3.16Å; I215-I218 HydrophobicContact CG2-CG1 3.9Å; I215-C245 HydrophobicContact CG2-CB 4.45Å; I215-C245 PolarHBondContact O-SG 3.32Å; I215-C245 VanDerWaalsContact O-SG 3.36Å
216A98.9Very high98.7Very high5 Ų530.9 Ų30.94%0.04115%0.15CC..EExtended strand (participates in β ladder)trans-80.9-46.117600000111.2F149 R155 K157 Y246F149-A216 HydrophobicContact CD2-CB 3.86Å; F149-A216 HydrophobicContact CE2-CB 3.89Å; R155-A216 HydrophobicContact CG-CB 4.04Å; K157-A216 PolarHBondContact O-N 3.4Å; A216-Y246 PolarHBondContact O-N 3.26Å; A216-Y246 VanDerWaalsContact O-N 3.09Å
217V98.9Very high98.7Very high0 Ų026.5 Ų26.50%013%0.129CC..EExtended strand (participates in β ladder)trans-134.7132.5-176176.20000109.3L145 F148 F149 I158 L159 I215 L219 Y246 F269L145-V217 HydrophobicContact CD2-CG1 4.11Å; F148-V217 HydrophobicContact CB-CG2 4.49Å; F149-V217 HydrophobicContact CB-CG2 4.02Å; F149-V217 HydrophobicContact CD2-CG2 4.05Å; I158-V217 VanDerWaalsContact CA-O 3.3Å; I158-V217 WeakPolarHBondContact CA-O 3.34Å; I158-V217 HydrophobicContact CG1-CB 4.47Å; L159-V217 PolarHBondContact N-O 3.25Å; I215-V217 WeakPolarHBondContact CG2-O 3.16Å; V217-L219 HydrophobicContact CG1-CB 4.23Å; V217-Y246 CarbonylContact C-O 3.59Å; V217-Y246 WeakPolarHBondContact CA-O 3.25Å; V217-F269 HydrophobicContact CG1-CE1 4.14Å; V217-F269 HydrophobicContact CG1-CZ 3.86Å
218I98.9Very high98.6Very high0 Ų025.5 Ų25.50%012%0.123CC..EExtended strand (participates in β ladder)trans-96.7123.6160.5-55.7-178.2000106.4L159 I208 I215 F220 I236 C245 Y246 V247 G248L159-I218 HydrophobicContact CB-CB 4.49Å; L159-I218 HydrophobicContact CB-CG1 4.13Å; L159-I218 HydrophobicContact CB-CG2 4.44Å; L159-I218 HydrophobicContact CD2-CD1 4.04Å; L159-I218 HydrophobicContact CD2-CG1 4.02Å; L159-I218 HydrophobicContact CD2-CG2 4.2Å; L159-I218 WeakPolarHBondContact O-CA 3.42Å; I208-I218 HydrophobicContact CD1-CD1 3.76Å; I208-I218 HydrophobicContact CG1-CD1 3.8Å; I208-I218 HydrophobicContact CG2-CD1 4.23Å; I215-I218 HydrophobicContact CG2-CG1 3.9Å; I218-F220 HydrophobicContact CG2-CD2 3.8Å; I218-F220 HydrophobicContact CG2-CE2 4.33Å; I218-I236 HydrophobicContact CG2-CG2 4.11Å; I218-C245 HydrophobicContact CD1-CB 4.27Å; I218-C245 HydrophobicContact CG1-CB 4.08Å; I218-Y246 PolarHBondContact N-O 3.47Å; I218-V247 HydrophobicContact CB-CB 4.48Å; I218-V247 HydrophobicContact CB-CG1 4.11Å; I218-V247 HydrophobicContact CB-CG2 4.23Å; I218-V247 HydrophobicContact CD1-CG2 4.12Å; I218-V247 HydrophobicContact CG1-CG2 4.42Å; I218-V247 HydrophobicContact CG2-CG1 4.23Å; I218-V247 WeakPolarHBondContact O-CA 3.48Å; I218-G248 PolarHBondContact O-N 3.08Å
219L98.9Very high98.6Very high4 Ų426.1 Ų26.12%0.02113%0.126CC..EExtended strand (participates in β ladder)trans-129.4103.6177.4178.159000108.8L141 L145 I158 L159 L160 I172 V217 G248 F269L141-L219 HydrophobicContact CD1-CD1 3.91Å; L141-L219 HydrophobicContact CD1-CD2 3.65Å; L141-L219 HydrophobicContact CD1-CG 4.42Å; L141-L219 HydrophobicContact CD2-CD2 4.19Å; L141-L219 HydrophobicContact CG-CD2 4.33Å; L145-L219 HydrophobicContact CD1-CD2 3.89Å; L145-L219 HydrophobicContact CD2-CD2 4.15Å; L145-L219 HydrophobicContact CG-CD2 4.42Å; I158-L219 HydrophobicContact CG2-CB 4.35Å; L159-L219 PolarHBondContact O-N 2.89Å; L160-L219 WeakPolarHBondContact CA-O 3.43Å; L160-L219 VanDerWaalsContact CB-O 3.24Å; L160-L219 WeakPolarHBondContact CB-O 3.47Å; I172-L219 HydrophobicContact CD1-CB 4.41Å; I172-L219 HydrophobicContact CD1-CD2 3.68Å; I172-L219 HydrophobicContact CD1-CG 4.22Å; I172-L219 HydrophobicContact CG1-CD2 3.71Å; V217-L219 HydrophobicContact CG1-CB 4.23Å; L219-G248 WeakPolarHBondContact CA-O 3.07Å; L219-F269 HydrophobicContact CD1-CE2 4.15Å; L219-F269 HydrophobicContact CD1-CZ 4.48Å
220F98.9Very high98.6Very high2 Ų222.2 Ų22.21%0.00911%0.108CC..EExtended strand (participates in β ladder)trans-114.7153.8-178.7-102.9-116.5000110.5L159 L160 E161 I190 L199 I204 I218 F231 I236 G248 F249 D250L159-F220 HydrophobicContact CG-CE2 4.28Å; L160-F220 VanDerWaalsContact C-CE2 3.43Å; E161-F220 HydrophobicContact CB-CD1 4.46Å; E161-F220 HydrophobicContact CB-CE1 3.94Å; E161-F220 HydrophobicContact CB-CZ 4.1Å; I190-F220 HydrophobicContact CD1-CE2 4.38Å; I190-F220 HydrophobicContact CD1-CZ 3.99Å; L199-F220 HydrophobicContact CD1-CE1 4.04Å; L199-F220 HydrophobicContact CD1-CZ 4.26Å; I204-F220 HydrophobicContact CD1-CE1 4.07Å; I204-F220 HydrophobicContact CG2-CZ 4.4Å; I218-F220 HydrophobicContact CG2-CD2 3.8Å; I218-F220 HydrophobicContact CG2-CE2 4.33Å; F220-F231 HydrophobicContact CD1-CD1 4.3Å; F220-F231 HydrophobicContact CD1-CD2 4.05Å; F220-F231 HydrophobicContact CD1-CE1 4.36Å; F220-F231 HydrophobicContact CD1-CE2 4.05Å; F220-F231 HydrophobicContact CD1-CG 4.14Å; F220-F231 HydrophobicContact CD1-CZ 4.21Å; F220-F231 HydrophobicContact CE1-CD1 4.29Å; F220-F231 HydrophobicContact CE1-CE1 4.07Å; F220-F231 HydrophobicContact CE1-CE2 4.41Å; F220-F231 HydrophobicContact CE1-CZ 4.11Å; F220-I236 HydrophobicContact CD1-CD1 4.26Å; F220-G248 PolarHBondContact N-O 2.76Å; F220-F249 HydrophobicContact CB-CD1 3.9Å; F220-F249 HydrophobicContact CB-CE1 3.93Å; F220-F249 CarbonylContact O-C 3.58Å; F220-F249 WeakPolarHBondContact O-CA 3.32Å; F220-D250 PolarHBondContact O-N 3.38Å
221S98.9Very high98.7Very high10 Ų1015.2 Ų15.27%0.078%0.078CC..EExtended strand (participates in β ladder)trans-66.1149157.955.70000110.4E161 H224 F231 D250E161-S221 VanDerWaalsContact OE1-CB 3.31Å; E161-S221 WeakPolarHBondContact OE1-CB 3.25Å; E161-S221 PolarHBondContact OE1-N 2.99Å; E161-S221 PolarHBondContact OE1-OG 3.26Å; E161-S221 PolarHBondContact OE2-N 2.96Å; S221-H224 WeakPolarHBondContact OG-CA 3.47Å; S221-F231 WeakPolarHBondContact O-CD2 3.31Å; S221-D250 CarbonylContact C-O 3.55Å; S221-D250 VanDerWaalsContact CA-O 3.32Å; S221-D250 WeakPolarHBondContact CA-O 3.4Å
222G98.9Very high98.7Very high0 Ų017 Ų170%09%0.088CC..SBendtrans-73.1-42.7168.500000110.9H230 F231 D250G222-H230 PolarHBondContact O-CD2 3.37Å; G222-F231 PolarHBondContact O-N 3.09Å; G222-D250 PolarHBondContact N-O 3.24Å
223V98.9Very high98.7Very high3 Ų317 Ų172%0.0189%0.088CC..BIsolated β-bridgetrans-128.5122.5171.3177.20000108.2F225 Q229 H230 H253 A254 V258V223-F225 PolarHBondContact O-N 3.05Å; V223-Q229 CarbonylContact C-O 3.52Å; V223-Q229 VanDerWaalsContact CA-O 3.25Å; V223-Q229 WeakPolarHBondContact CA-O 3.24Å; V223-H230 HydrophobicContact CG2-CB 3.97Å; V223-H253 HydrophobicContact CB-CB 3.77Å; V223-H253 HydrophobicContact CG1-CB 4.02Å; V223-H253 WeakPolarHBondContact O-CB 3.44Å; V223-A254 HydrophobicContact CG2-CB 3.98Å; V223-V258 HydrophobicContact CG2-CG1 4.41Å; V223-V258 HydrophobicContact CG2-CG2 4.41Å
224H98.8Very high98.7Very high11 Ų1114 Ų145%0.0518%0.075CC..  trans-68.6124.8-179-173.8-111.6000110.9E161 K163 S221 Y226 T227 G228 Q229 F231E161-H224 IonicContact OE1-CD2 3.26Å; K163-H224 PolarHBondContact O-NE2 2.89Å; K163-H224 VanDerWaalsContact O-NE2 3.12Å; S221-H224 WeakPolarHBondContact OG-CA 3.47Å; H224-Y226 VanDerWaalsContact C-N 3.29Å; H224-Y226 PolarHBondContact O-N 3.49Å; H224-T227 WeakPolarHBondContact CB-OG1 3.04Å; H224-T227 PolarHBondContact ND1-N 3.15Å; H224-T227 PolarHBondContact ND1-OG1 3.24Å; H224-G228 WeakPolarHBondContact O-CA 3.47Å; H224-G228 PolarHBondContact O-N 3.33Å; H224-Q229 HydrophobicContact CB-CB 4.49Å; H224-Q229 PolarHBondContact N-O 3.16Å; H224-F231 HydrophobicContact CB-CE2 3.85Å; H224-F231 HydrophobicContact CB-CZ 4.24Å
225F97.6Very high98.7Very high29 Ų2914.3 Ų14.313%0.1278%0.078CC..THydrogen-bonded Turntrans-58.2-41.1-170.883.5-75.5000112.4F165 V223 H253 Q402 R434F165-F225 HydrophobicContact CB-CD1 4.05Å; F165-F225 HydrophobicContact CB-CE1 4.39Å; F165-F225 HydrophobicContact CD2-CB 4.4Å; F165-F225 HydrophobicContact CD2-CD1 4.13Å; F165-F225 AromaticContact CD2-CD2 3.99Å; F165-F225 HydrophobicContact CD2-CD2 3.99Å; F165-F225 HydrophobicContact CD2-CE1 4.44Å; F165-F225 HydrophobicContact CD2-CE2 4.29Å; F165-F225 AromaticContact CD2-CG 3.9Å; F165-F225 HydrophobicContact CD2-CG 3.9Å; V223-F225 PolarHBondContact O-N 3.05Å; F225-H253 VanDerWaalsContact CB-CD2 3.47Å; F225-H253 WeakPolarHBondContact CB-CD2 3.46Å; F225-H253 VanDerWaalsContact CB-NE2 3.32Å; F225-H253 WeakPolarHBondContact CB-NE2 3.46Å; F225-Q402 PolarHBondContact O-NE2 3.4Å; F225-Q402 PolarHBondContact O-OE1 3.05Å; F225-R434 WeakPolarHBondContact O-CD 3.37Å; F225-R434 PolarHBondContact O-NH1 3.41Å
226Y96.6Very high98.7Very high37 Ų3714.3 Ų14.315%0.1458%0.078CC..THydrogen-bonded Turntrans-84-51.4-173.9171.1-115.2000112.4E197 H224 Q402 T404 R428E197-Y226 VanDerWaalsContact OE2-CE1 3.24Å; E197-Y226 WeakPolarHBondContact OE2-CE1 3.48Å; E197-Y226 PolarHBondContact OE2-OH 2.87Å; H224-Y226 VanDerWaalsContact C-N 3.29Å; H224-Y226 PolarHBondContact O-N 3.49Å; Y226-Q402 PolarHBondContact O-NE2 3.39Å; Y226-T404 HydrophobicContact CD2-CG2 4.36Å; Y226-T404 HydrophobicContact CE2-CG2 3.92Å; Y226-T404 WeakPolarHBondContact O-CB 3.47Å; Y226-T404 WeakPolarHBondContact O-CG2 3.39Å; Y226-T404 PolarHBondContact O-OG1 2.86Å; Y226-R428 HydrophobicContact CD2-CB 3.95Å; Y226-R428 HydrophobicContact CD2-CG 3.74Å; Y226-R428 HydrophobicContact CE2-CB 3.48Å; Y226-R428 VanDerWaalsContact CE2-CB 3.48Å; Y226-R428 HydrophobicContact CE2-CG 3.83Å
227T97.9Very high98.7Very high3 Ų314.1 Ų14.12%0.0188%0.076CC..THydrogen-bonded Turntrans-80.6-19.6-174.258.60000112.8E197 T198 H224 Q229 I391 T392E197-T227 HydrophobicContact CB-CG2 4.37Å; E197-T227 WeakPolarHBondContact O-CG2 3.32Å; T198-T227 HydrophobicContact CG2-CG2 4.32Å; H224-T227 WeakPolarHBondContact CB-OG1 3.04Å; H224-T227 PolarHBondContact ND1-N 3.15Å; H224-T227 PolarHBondContact ND1-OG1 3.24Å; T227-Q229 PolarHBondContact O-N 2.91Å; T227-Q229 WeakPolarHBondContact OG1-CB 3.07Å; T227-Q229 PolarHBondContact OG1-N 2.83Å; T227-I391 HydrophobicContact CG2-CG2 3.99Å; T227-T392 VanDerWaalsContact O-CA 3.24Å; T227-T392 WeakPolarHBondContact O-CA 3.49Å; T227-T392 WeakPolarHBondContact O-CB 3.5Å; T227-T392 PolarHBondContact O-OG1 3.42Å
228G98.4Very high98.7Very high0 Ų019.9 Ų19.90%010%0.102CC..  trans755.3-17400000113.9H224 H230H224-G228 WeakPolarHBondContact O-CA 3.47Å; H224-G228 PolarHBondContact O-N 3.33Å; G228-H230 PolarHBondContact O-N 2.61Å
229Q98.9Very high98.7Very high15 Ų1521 Ų217%0.0711%0.111CC..BIsolated β-bridgetrans-63.9122.9177.3175.2169.518.900110.4T198 L199 V223 H224 T227 F231 P393T198-Q229 HydrophobicContact CG2-CB 4.3Å; L199-Q229 PolarHBondContact O-NE2 2.77Å; V223-Q229 CarbonylContact C-O 3.52Å; V223-Q229 VanDerWaalsContact CA-O 3.25Å; V223-Q229 WeakPolarHBondContact CA-O 3.24Å; H224-Q229 HydrophobicContact CB-CB 4.49Å; H224-Q229 PolarHBondContact N-O 3.16Å; T227-Q229 PolarHBondContact O-N 2.91Å; T227-Q229 WeakPolarHBondContact OG1-CB 3.07Å; T227-Q229 PolarHBondContact OG1-N 2.83Å; Q229-F231 VanDerWaalsContact CD-CE1 3.48Å; Q229-F231 HydrophobicContact CG-CD1 4.14Å; Q229-F231 HydrophobicContact CG-CE1 3.99Å; Q229-F231 HydrophobicContact CG-CZ 4.36Å; Q229-P393 HydrophobicContact CB-CG 3.99Å; Q229-P393 HydrophobicContact CG-CG 4.01Å
230H98.9Very high98.7Very high28 Ų2820.8 Ų20.813%0.1311%0.11CC..BIsolated β-bridgetrans-88.8114.9167.5174.8-136.1000108.4G222 V223 G228 E397 E398G222-H230 PolarHBondContact O-CD2 3.37Å; V223-H230 HydrophobicContact CG2-CB 3.97Å; G228-H230 PolarHBondContact O-N 2.61Å; H230-E397 PolarHBondContact ND1-O 3.35Å; H230-E398 PolarHBondContact N-O 3.02Å
231F98.9Very high98.7Very high5 Ų523.1 Ų23.12%0.02212%0.121CC..  trans-76.9150.9179.1-65.5-72.4000110.9E161 L199 I204 F220 S221 G222 H224 Q229 I233 I236E161-F231 HydrophobicContact CB-CZ 4.43Å; L199-F231 HydrophobicContact CB-CE1 4.13Å; L199-F231 HydrophobicContact CD1-CE1 3.99Å; L199-F231 HydrophobicContact CD1-CZ 4.21Å; L199-F231 HydrophobicContact CG-CE1 4.29Å; I204-F231 HydrophobicContact CD1-CD1 3.89Å; I204-F231 HydrophobicContact CD1-CE1 4Å; F220-F231 HydrophobicContact CD1-CD1 4.3Å; F220-F231 HydrophobicContact CD1-CD2 4.05Å; F220-F231 HydrophobicContact CD1-CE1 4.36Å; F220-F231 HydrophobicContact CD1-CE2 4.05Å; F220-F231 HydrophobicContact CD1-CG 4.14Å; F220-F231 HydrophobicContact CD1-CZ 4.21Å; F220-F231 HydrophobicContact CE1-CD1 4.29Å; F220-F231 HydrophobicContact CE1-CE1 4.07Å; F220-F231 HydrophobicContact CE1-CE2 4.41Å; F220-F231 HydrophobicContact CE1-CZ 4.11Å; S221-F231 WeakPolarHBondContact O-CD2 3.31Å; G222-F231 PolarHBondContact O-N 3.09Å; H224-F231 HydrophobicContact CB-CE2 3.85Å; H224-F231 HydrophobicContact CB-CZ 4.24Å; Q229-F231 VanDerWaalsContact CD-CE1 3.48Å; Q229-F231 HydrophobicContact CG-CD1 4.14Å; Q229-F231 HydrophobicContact CG-CE1 3.99Å; Q229-F231 HydrophobicContact CG-CZ 4.36Å; F231-I233 VanDerWaalsContact C-N 3.28Å; F231-I233 PolarHBondContact O-N 3.4Å; F231-I236 HydrophobicContact CB-CD1 3.87Å; F231-I236 HydrophobicContact CG-CD1 4.47Å
232N98.9Very high98.7Very high82 Ų8226.6 Ų26.644%0.43915%0.15SC..  trans-75.383.2175.3-169-33.4000110.2I201 P234 A235 I236I201-N232 HydrophobicContact CD1-CB 4.24Å; N232-P234 WeakPolarHBondContact OD1-CD 3.34Å; N232-P234 VanDerWaalsContact OD1-CG 3.31Å; N232-P234 WeakPolarHBondContact OD1-CG 3.4Å; N232-A235 HydrophobicContact CB-CB 4Å; N232-A235 VanDerWaalsContact CG-CB 3.46Å; N232-A235 PolarHBondContact O-N 2.88Å; N232-A235 VanDerWaalsContact OD1-CB 3.29Å; N232-A235 WeakPolarHBondContact OD1-CB 3.37Å; N232-A235 PolarHBondContact OD1-N 3.48Å; N232-A235 VanDerWaalsContact OD1-N 3.08Å; N232-I236 WeakPolarHBondContact O-CG1 3.31Å; N232-I236 PolarHBondContact O-N 3.34Å
233I98.9Very high98.7Very high1 Ų128.1 Ų28.11%0.00516%0.156CC..Hα-helixtrans-48.4-52.7-179-65.1170.4000112.2F231 A235 I236 T237 F249 L251 L260 W265 V267F231-I233 VanDerWaalsContact C-N 3.28Å; F231-I233 PolarHBondContact O-N 3.4Å; I233-A235 PolarHBondContact O-N 2.78Å; I233-I236 PolarHBondContact O-N 3.03Å; I233-T237 VanDerWaalsContact O-CB 3.3Å; I233-T237 WeakPolarHBondContact O-CB 3.27Å; I233-T237 PolarHBondContact O-N 3.44Å; I233-T237 PolarHBondContact O-OG1 3.28Å; I233-F249 HydrophobicContact CB-CE1 4.43Å; I233-F249 HydrophobicContact CB-CZ 4.28Å; I233-F249 HydrophobicContact CG1-CD1 4.25Å; I233-F249 HydrophobicContact CG1-CE1 4.12Å; I233-F249 HydrophobicContact CG1-CZ 4.45Å; I233-F249 HydrophobicContact CG2-CD2 4.07Å; I233-F249 HydrophobicContact CG2-CE1 4.32Å; I233-F249 HydrophobicContact CG2-CE2 3.7Å; I233-F249 HydrophobicContact CG2-CZ 3.83Å; I233-L251 HydrophobicContact CD1-CD2 4.01Å; I233-L260 HydrophobicContact CD1-CD2 3.64Å; I233-W265 HydrophobicContact CB-CE3 4.04Å; I233-W265 HydrophobicContact CB-CZ3 3.91Å; I233-W265 HydrophobicContact CD1-CZ3 3.97Å; I233-W265 HydrophobicContact CG2-CD2 4.5Å; I233-W265 HydrophobicContact CG2-CE3 3.55Å; I233-W265 HydrophobicContact CG2-CZ3 3.83Å; I233-V267 HydrophobicContact CG2-CG2 3.81Å
234P98.9Very high98.7Very high36 Ų3630.2 Ų30.223%0.23418%0.179CC..Hα-helixtrans-65.2-38.5-17920.8-29.5000113N232 T237 K238 W265N232-P234 WeakPolarHBondContact OD1-CD 3.34Å; N232-P234 VanDerWaalsContact OD1-CG 3.31Å; N232-P234 WeakPolarHBondContact OD1-CG 3.4Å; P234-T237 PolarHBondContact O-N 3.18Å; P234-K238 WeakPolarHBondContact O-CG 3.27Å; P234-K238 PolarHBondContact O-N 3.43Å; P234-W265 HydrophobicContact CB-CB 4.19Å; P234-W265 HydrophobicContact CB-CD2 4.2Å; P234-W265 HydrophobicContact CB-CG 3.79Å; P234-W265 HydrophobicContact CG-CD2 4.17Å; P234-W265 HydrophobicContact CG-CG 4.26Å; P234-W265 HydrophobicContact CG-CZ2 4.4Å
235A98.9Very high98.7Very high30 Ų3029.9 Ų29.925%0.24818%0.178CC..Hα-helixtrans-64.7-45.8178.500000112.1N232 I233 T237 K238 A239N232-A235 HydrophobicContact CB-CB 4Å; N232-A235 VanDerWaalsContact CG-CB 3.46Å; N232-A235 PolarHBondContact O-N 2.88Å; N232-A235 VanDerWaalsContact OD1-CB 3.29Å; N232-A235 WeakPolarHBondContact OD1-CB 3.37Å; N232-A235 PolarHBondContact OD1-N 3.48Å; N232-A235 VanDerWaalsContact OD1-N 3.08Å; I233-A235 PolarHBondContact O-N 2.78Å; A235-T237 VanDerWaalsContact C-N 3.33Å; A235-T237 PolarHBondContact O-N 3.03Å; A235-K238 PolarHBondContact O-N 3.17Å; A235-A239 WeakPolarHBondContact O-CB 3.48Å; A235-A239 PolarHBondContact O-N 3.21Å
236I98.9Very high98.7Very high0 Ų031.7 Ų31.70%018%0.184CC..Hα-helixtrans-63.7-41.8177.3-65.1172000110.5I201 I204 I208 I218 F220 F231 N232 I233 A239 G240 V247 F249I201-I236 HydrophobicContact CD1-CG1 4.11Å; I204-I236 HydrophobicContact CD1-CD1 4.41Å; I204-I236 HydrophobicContact CG2-CD1 4.26Å; I204-I236 HydrophobicContact CG2-CG1 4.11Å; I208-I236 HydrophobicContact CD1-CG2 4.22Å; I218-I236 HydrophobicContact CG2-CG2 4.11Å; F220-I236 HydrophobicContact CD1-CD1 4.26Å; F231-I236 HydrophobicContact CB-CD1 3.87Å; F231-I236 HydrophobicContact CG-CD1 4.47Å; N232-I236 WeakPolarHBondContact O-CG1 3.31Å; N232-I236 PolarHBondContact O-N 3.34Å; I233-I236 PolarHBondContact O-N 3.03Å; I236-A239 PolarHBondContact O-N 2.76Å; I236-G240 PolarHBondContact O-N 3.3Å; I236-V247 HydrophobicContact CG2-CG1 4.11Å; I236-F249 HydrophobicContact CB-CZ 4.22Å; I236-F249 HydrophobicContact CG2-CE1 4.33Å; I236-F249 HydrophobicContact CG2-CZ 4.08Å
237T98.9Very high98.8Very high0 Ų030 Ų300%018%0.177CC..Hα-helixtrans-57.6-52.3175.9-59.10000111.4I233 P234 A235 A239 G240 Q241 F249 V267I233-T237 VanDerWaalsContact O-CB 3.3Å; I233-T237 WeakPolarHBondContact O-CB 3.27Å; I233-T237 PolarHBondContact O-N 3.44Å; I233-T237 PolarHBondContact O-OG1 3.28Å; P234-T237 PolarHBondContact O-N 3.18Å; A235-T237 VanDerWaalsContact C-N 3.33Å; A235-T237 PolarHBondContact O-N 3.03Å; T237-A239 PolarHBondContact O-N 3.37Å; T237-G240 PolarHBondContact O-N 3.02Å; T237-Q241 WeakPolarHBondContact O-CB 3.43Å; T237-Q241 VanDerWaalsContact O-CG 3.28Å; T237-Q241 WeakPolarHBondContact O-CG 3.49Å; T237-Q241 PolarHBondContact O-N 3.33Å; T237-F249 WeakPolarHBondContact OG1-CE2 3.44Å; T237-V267 HydrophobicContact CG2-CG2 4.38Å
238K98.9Very high98.9Very high121 Ų12129.8 Ų29.853%0.52618%0.177SC..Hα-helixtrans-64.3-42.1-179.4-67.9-60179.4-165.80112.3P234 A235 A242P234-K238 WeakPolarHBondContact O-CG 3.27Å; P234-K238 PolarHBondContact O-N 3.43Å; A235-K238 PolarHBondContact O-N 3.17Å; K238-A242 WeakPolarHBondContact O-CB 3.22Å; K238-A242 PolarHBondContact O-N 2.94Å
239A98.9Very high98.9Very high24 Ų2429.8 Ų29.820%0.19818%0.177CC..Hα-helixtrans-63.9-46.317900000112.1L205 I208 A235 I236 T237 A242 K243L205-A239 HydrophobicContact CD2-CB 3.55Å; I208-A239 HydrophobicContact CB-CB 4.49Å; I208-A239 HydrophobicContact CD1-CB 4.14Å; I208-A239 HydrophobicContact CG2-CB 3.94Å; I208-A239 WeakPolarHBondContact CG2-O 3.29Å; A235-A239 WeakPolarHBondContact O-CB 3.48Å; A235-A239 PolarHBondContact O-N 3.21Å; I236-A239 PolarHBondContact O-N 2.76Å; T237-A239 PolarHBondContact O-N 3.37Å; A239-A242 PolarHBondContact O-N 3.45Å; A239-K243 PolarHBondContact O-N 3.01Å
240G98.9Very high98.9Very high0 Ų029.5 Ų29.50%018%0.176CC..Hα-helixtrans-63.1-46.3178.100000112.5I236 T237 A242 K243 G244 C245I236-G240 PolarHBondContact O-N 3.3Å; T237-G240 PolarHBondContact O-N 3.02Å; G240-A242 VanDerWaalsContact C-N 3.3Å; G240-A242 PolarHBondContact O-N 3.34Å; G240-K243 CarbonylContact O-C 3.18Å; G240-K243 PolarHBondContact O-N 3.49Å; G240-G244 PolarHBondContact O-N 3.06Å; G240-C245 VanDerWaalsContact O-CB 3.31Å; G240-C245 WeakPolarHBondContact O-CB 3.27Å; G240-C245 PolarHBondContact O-N 3.08Å; G240-C245 PolarHBondContact O-SG 3.38Å
241Q98.9Very high98.9Very high51 Ų5128.2 Ų28.224%0.23817%0.169CC..Hα-helixtrans-64.6-34.1179.4-72172.3-4.100112.5T237 K243 G244 V247 G266 D268 K293T237-Q241 WeakPolarHBondContact O-CB 3.43Å; T237-Q241 VanDerWaalsContact O-CG 3.28Å; T237-Q241 WeakPolarHBondContact O-CG 3.49Å; T237-Q241 PolarHBondContact O-N 3.33Å; Q241-K243 PolarHBondContact O-N 3.06Å; Q241-G244 PolarHBondContact O-N 3.46Å; Q241-V247 HydrophobicContact CG-CG2 4.3Å; Q241-G266 PolarHBondContact NE2-O 3.45Å; Q241-D268 VanDerWaalsContact NE2-CG 3.32Å; Q241-D268 PolarHBondContact NE2-OD1 3.39Å; Q241-D268 PolarHBondContact NE2-OD2 3.22Å; Q241-K293 VanDerWaalsContact NE2-NZ 3.18Å
242A98.9Very high98.9Very high82 Ų8228 Ų2868%0.67817%0.169SC*.Hα-helixtrans-60.9-26174.100000113K238 A239 G240K238-A242 WeakPolarHBondContact O-CB 3.22Å; K238-A242 PolarHBondContact O-N 2.94Å; A239-A242 PolarHBondContact O-N 3.45Å; G240-A242 VanDerWaalsContact C-N 3.3Å; G240-A242 PolarHBondContact O-N 3.34Å
243K98.9Very high98.9Very high32 Ų3224.6 Ų24.614%0.13915%0.15CC..THydrogen-bonded Turntrans-97.57.5175.3-54.2-62.5-67.6-165.50113.3R155 I208 E209 D213 A239 G240 Q241R155-K243 PolarHBondContact NH1-O 3.11Å; R155-K243 PolarHBondContact NH2-O 3.47Å; I208-K243 HydrophobicContact CG2-CG 4.17Å; E209-K243 WeakPolarHBondContact O-CE 3.49Å; E209-K243 PolarHBondContact O-NZ 2.94Å; E209-K243 IonicContact OE1-NZ 2.89Å; E209-K243 PolarHBondContact OE1-NZ 3.35Å; D213-K243 IonicContact OD2-NZ 3.67Å; A239-K243 PolarHBondContact O-N 3.01Å; G240-K243 CarbonylContact O-C 3.18Å; G240-K243 PolarHBondContact O-N 3.49Å; Q241-K243 PolarHBondContact O-N 3.06Å
244G98.8Very high98.9Very high47 Ų4724.6 Ų24.649%0.48515%0.15SC..THydrogen-bonded Turntrans76.715.818000000115R155 G240 Q241R155-G244 PolarHBondContact NH1-O 3.18Å; G240-G244 PolarHBondContact O-N 3.06Å; Q241-G244 PolarHBondContact O-N 3.46Å
245C98.9Very high98.9Very high5 Ų523 Ų233%0.03414%0.14CC..  trans-78.6148.5173.1-480000110.4G212 I215 I218 G240G212-C245 PolarHBondContact O-SG 3.09Å; I215-C245 HydrophobicContact CG2-CB 4.45Å; I215-C245 PolarHBondContact O-SG 3.32Å; I215-C245 VanDerWaalsContact O-SG 3.36Å; I218-C245 HydrophobicContact CD1-CB 4.27Å; I218-C245 HydrophobicContact CG1-CB 4.08Å; G240-C245 VanDerWaalsContact O-CB 3.31Å; G240-C245 WeakPolarHBondContact O-CB 3.27Å; G240-C245 PolarHBondContact O-N 3.08Å; G240-C245 PolarHBondContact O-SG 3.38Å
246Y98.9Very high98.9Very high67 Ų6721.9 Ų21.926%0.26313%0.132SC..EExtended strand (participates in β ladder)trans-77.4141.1155.6-65.2-73.2000109.2F148 A216 V217 I218 D268 H294 I298F148-Y246 AromaticContact CD1-CD1 3.63Å; F148-Y246 HydrophobicContact CD1-CD1 3.63Å; F148-Y246 HydrophobicContact CD1-CD2 4.2Å; F148-Y246 HydrophobicContact CD1-CE1 4.08Å; F148-Y246 AromaticContact CD1-CG 3.7Å; F148-Y246 HydrophobicContact CD1-CG 3.7Å; F148-Y246 AromaticContact CE1-CD1 3.83Å; F148-Y246 HydrophobicContact CE1-CD1 3.83Å; F148-Y246 HydrophobicContact CE1-CE1 4.13Å; F148-Y246 HydrophobicContact CE1-CG 4.35Å; A216-Y246 PolarHBondContact O-N 3.26Å; A216-Y246 VanDerWaalsContact O-N 3.09Å; V217-Y246 CarbonylContact C-O 3.59Å; V217-Y246 WeakPolarHBondContact CA-O 3.25Å; I218-Y246 PolarHBondContact N-O 3.47Å; Y246-D268 WeakPolarHBondContact CA-OD2 3.43Å; Y246-D268 HydrophobicContact CD1-CB 4.21Å; Y246-H294 AromaticContact CE1-CE1 3.71Å; Y246-I298 HydrophobicContact CE1-CD1 4.34Å
247V99Very high98.9Very high0 Ų022.1 Ų22.10%013%0.133CC..EExtended strand (participates in β ladder)trans-123.1116.5178.8-170.10000109.6I218 I236 Q241 F249 D268I218-V247 HydrophobicContact CB-CB 4.48Å; I218-V247 HydrophobicContact CB-CG1 4.11Å; I218-V247 HydrophobicContact CB-CG2 4.23Å; I218-V247 HydrophobicContact CD1-CG2 4.12Å; I218-V247 HydrophobicContact CG1-CG2 4.42Å; I218-V247 HydrophobicContact CG2-CG1 4.23Å; I218-V247 WeakPolarHBondContact O-CA 3.48Å; I236-V247 HydrophobicContact CG2-CG1 4.11Å; Q241-V247 HydrophobicContact CG-CG2 4.3Å; V247-F249 HydrophobicContact CG1-CE2 3.62Å; V247-F249 HydrophobicContact CG1-CZ 3.67Å; V247-D268 PolarHBondContact N-OD2 3.34Å; V247-D268 WeakPolarHBondContact O-CB 3.34Å; V247-D268 PolarHBondContact O-N 3.01Å
248G98.9Very high98.9Very high0 Ų022.2 Ų22.20%013%0.133CC..EExtended strand (participates in β ladder)trans-128.5164.5175.500000113.3I218 L219 F220 F269I218-G248 PolarHBondContact O-N 3.08Å; L219-G248 WeakPolarHBondContact CA-O 3.07Å; F220-G248 PolarHBondContact N-O 2.76Å; G248-F269 WeakPolarHBondContact CA-O 3.47Å
249F99Very high98.9Very high0 Ų019.2 Ų19.20%012%0.121CC..EExtended strand (participates in β ladder)trans-135.3138.5-173.9-60.9-92.8000113.7F220 I233 I236 T237 V247 L251 V267 F269 A270 C271F220-F249 HydrophobicContact CB-CD1 3.9Å; F220-F249 HydrophobicContact CB-CE1 3.93Å; F220-F249 CarbonylContact O-C 3.58Å; F220-F249 WeakPolarHBondContact O-CA 3.32Å; I233-F249 HydrophobicContact CB-CE1 4.43Å; I233-F249 HydrophobicContact CB-CZ 4.28Å; I233-F249 HydrophobicContact CG1-CD1 4.25Å; I233-F249 HydrophobicContact CG1-CE1 4.12Å; I233-F249 HydrophobicContact CG1-CZ 4.45Å; I233-F249 HydrophobicContact CG2-CD2 4.07Å; I233-F249 HydrophobicContact CG2-CE1 4.32Å; I233-F249 HydrophobicContact CG2-CE2 3.7Å; I233-F249 HydrophobicContact CG2-CZ 3.83Å; I236-F249 HydrophobicContact CB-CZ 4.22Å; I236-F249 HydrophobicContact CG2-CE1 4.33Å; I236-F249 HydrophobicContact CG2-CZ 4.08Å; T237-F249 WeakPolarHBondContact OG1-CE2 3.44Å; V247-F249 HydrophobicContact CG1-CE2 3.62Å; V247-F249 HydrophobicContact CG1-CZ 3.67Å; F249-L251 HydrophobicContact CB-CD2 3.64Å; F249-L251 HydrophobicContact CB-CG 4.04Å; F249-L251 HydrophobicContact CG-CD2 4.47Å; F249-V267 HydrophobicContact CD2-CG1 3.78Å; F249-V267 HydrophobicContact CD2-CG2 4.3Å; F249-V267 HydrophobicContact CE2-CG1 4.15Å; F249-V267 HydrophobicContact CE2-CG2 4.11Å; F249-F269 PolarHBondContact N-O 2.96Å; F249-A270 WeakPolarHBondContact O-CA 3.41Å; F249-A270 WeakPolarHBondContact O-CB 3.43Å; F249-C271 PolarHBondContact O-N 3.23Å
250D98.9Very high98.9Very high9 Ų918.2 Ų18.25%0.04811%0.112CC..EExtended strand (participates in β ladder)trans-81.2114.7157-175.4-62.7000109L137 D168 F220 S221 G222 A252L137-D250 VanDerWaalsContact CD1-OD2 3.22Å; L137-D250 WeakPolarHBondContact CD1-OD2 3.13Å; L137-D250 WeakPolarHBondContact CD2-OD2 3.44Å; L137-D250 WeakPolarHBondContact CG-OD2 3.43Å; D168-D250 WeakPolarHBondContact OD1-CB 3.32Å; F220-D250 PolarHBondContact O-N 3.38Å; S221-D250 CarbonylContact C-O 3.55Å; S221-D250 VanDerWaalsContact CA-O 3.32Å; S221-D250 WeakPolarHBondContact CA-O 3.4Å; G222-D250 PolarHBondContact N-O 3.24Å; D250-A252 WeakPolarHBondContact OD1-CB 3.29Å; D250-A252 PolarHBondContact OD1-N 2.87Å
251L98.9Very high98.9Very high0 Ų022.6 Ų22.60%013%0.13CC..  trans-10319.5-175.6-59.4177.1000112.5I233 F249 H253 A254 V255 L260 L262 A270 C271 W272I233-L251 HydrophobicContact CD1-CD2 4.01Å; F249-L251 HydrophobicContact CB-CD2 3.64Å; F249-L251 HydrophobicContact CB-CG 4.04Å; F249-L251 HydrophobicContact CG-CD2 4.47Å; L251-H253 PolarHBondContact O-N 3.31Å; L251-H253 VanDerWaalsContact O-N 3.16Å; L251-A254 HydrophobicContact CB-CB 4.13Å; L251-A254 HydrophobicContact CD2-CB 3.96Å; L251-A254 PolarHBondContact O-N 2.89Å; L251-V255 WeakPolarHBondContact O-CG1 3.35Å; L251-V255 PolarHBondContact O-N 2.67Å; L251-L260 HydrophobicContact CD1-CD1 4.08Å; L251-L260 HydrophobicContact CD2-CD2 4.34Å; L251-L262 HydrophobicContact CD1-CD1 3.71Å; L251-L262 HydrophobicContact CD1-CD2 3.76Å; L251-L262 HydrophobicContact CD1-CG 4.28Å; L251-A270 HydrophobicContact CD1-CB 3.55Å; L251-A270 HydrophobicContact CG-CB 4.05Å; L251-C271 PolarHBondContact N-O 2.97Å; L251-W272 HydrophobicContact CB-CB 4.12Å; L251-W272 HydrophobicContact CD1-CE3 4.35Å
252A98.9Very high98.9Very high2 Ų220.2 Ų20.22%0.01712%0.118CC..THydrogen-bonded Turntrans-57-35.6-175.400000113.7L137 D250 K276L137-A252 HydrophobicContact CD2-CB 3.6Å; D250-A252 WeakPolarHBondContact OD1-CB 3.29Å; D250-A252 PolarHBondContact OD1-N 2.87Å; A252-K276 HydrophobicContact CB-CD 4.33Å; A252-K276 VanDerWaalsContact O-CD 3.26Å; A252-K276 WeakPolarHBondContact O-CD 3.47Å
253H98.9Very high98.9Very high10 Ų1018.4 Ų18.45%0.04610%0.096CC..THydrogen-bonded Turntrans-97.3-1.2175.3-78.4-81.3000113.8N74 V223 F225 L251 N257 K276 Y277N74-H253 PolarHBondContact O-CE1 2.92Å; N74-H253 PolarHBondContact O-ND1 3.01Å; V223-H253 HydrophobicContact CB-CB 3.77Å; V223-H253 HydrophobicContact CG1-CB 4.02Å; V223-H253 WeakPolarHBondContact O-CB 3.44Å; F225-H253 VanDerWaalsContact CB-CD2 3.47Å; F225-H253 WeakPolarHBondContact CB-CD2 3.46Å; F225-H253 VanDerWaalsContact CB-NE2 3.32Å; F225-H253 WeakPolarHBondContact CB-NE2 3.46Å; L251-H253 PolarHBondContact O-N 3.31Å; L251-H253 VanDerWaalsContact O-N 3.16Å; H253-N257 PolarHBondContact O-ND2 2.9Å; H253-K276 PolarHBondContact CD2-NZ 2.8Å; H253-K276 PolarHBondContact NE2-NZ 2.89Å; H253-Y277 HydrophobicContact CB-CE2 4.49Å; H253-Y277 VanDerWaalsContact O-CE2 3.27Å; H253-Y277 WeakPolarHBondContact O-CE2 3.26Å
254A98.9Very high98.9Very high0 Ų022.6 Ų22.60%012%0.12CC..THydrogen-bonded Turntrans-102.1-44.8-177.900000112.4V223 L251 G256 N257 V258 L260V223-A254 HydrophobicContact CG2-CB 3.98Å; L251-A254 HydrophobicContact CB-CB 4.13Å; L251-A254 HydrophobicContact CD2-CB 3.96Å; L251-A254 PolarHBondContact O-N 2.89Å; A254-G256 PolarHBondContact O-N 3.13Å; A254-N257 WeakPolarHBondContact O-CB 3.4Å; A254-N257 PolarHBondContact O-N 2.84Å; A254-V258 HydrophobicContact CB-CG2 3.79Å; A254-V258 PolarHBondContact O-N 3.36Å; A254-L260 HydrophobicContact CB-CD1 4.47Å; A254-L260 HydrophobicContact CB-CD2 4.35Å
255V98.9Very high98.9Very high2 Ų222.9 Ų22.91%0.01211%0.106CC..THydrogen-bonded Turntrans-60.8131-177.473.30000110.9M120 I123 V124 L251 N257 L260 W272 Y277 L278M120-V255 HydrophobicContact CE-CG2 3.95Å; I123-V255 HydrophobicContact CG2-CG2 3.65Å; V124-V255 HydrophobicContact CG1-CG2 3.91Å; L251-V255 WeakPolarHBondContact O-CG1 3.35Å; L251-V255 PolarHBondContact O-N 2.67Å; V255-N257 PolarHBondContact O-N 3.32Å; V255-L260 HydrophobicContact CB-CD1 4.45Å; V255-W272 HydrophobicContact CB-CB 4.14Å; V255-W272 HydrophobicContact CB-CG 4.1Å; V255-W272 HydrophobicContact CG1-CB 3.67Å; V255-W272 HydrophobicContact CG1-CG 3.84Å; V255-W272 HydrophobicContact CG2-CD2 4.41Å; V255-W272 HydrophobicContact CG2-CG 4.13Å; V255-Y277 WeakPolarHBondContact O-CB 3.34Å; V255-L278 HydrophobicContact CB-CD1 4.48Å; V255-L278 HydrophobicContact CG1-CD1 3.82Å; V255-L278 HydrophobicContact CG1-CG 4.04Å; V255-L278 HydrophobicContact CG2-CD1 3.81Å; V255-L278 HydrophobicContact CG2-CD2 4.31Å; V255-L278 HydrophobicContact CG2-CG 4.27Å
256G98.9Very high98.9Very high8 Ų823 Ų238%0.08211%0.108CC..THydrogen-bonded Turntrans71.16.2-17600000115.2A254A254-G256 PolarHBondContact O-N 3.13Å
257N98.9Very high98.9Very high5 Ų519.8 Ų19.83%0.02710%0.096CC..THydrogen-bonded Turntrans-121-60.9-178.9171.126.5000112.1H253 A254 V255 Y277 G400 C401H253-N257 PolarHBondContact O-ND2 2.9Å; A254-N257 WeakPolarHBondContact O-CB 3.4Å; A254-N257 PolarHBondContact O-N 2.84Å; V255-N257 PolarHBondContact O-N 3.32Å; N257-Y277 HydrophobicContact CB-CD1 3.96Å; N257-Y277 HydrophobicContact CB-CD2 3.68Å; N257-Y277 HydrophobicContact CB-CE1 3.97Å; N257-Y277 HydrophobicContact CB-CE2 3.7Å; N257-Y277 HydrophobicContact CB-CG 3.8Å; N257-Y277 PolarHBondContact ND2-OH 2.93Å; N257-G400 WeakPolarHBondContact OD1-CA 3.45Å; N257-C401 PolarHBondContact OD1-N 3.15Å; N257-C401 PolarHBondContact OD1-SG 2.8Å
258V98.9Very high98.9Very high1 Ų120 Ų201%0.00610%0.097CC..SBendtrans-101.1158.6174.2-62.80000109.8V223 A254 L260 M354V223-V258 HydrophobicContact CG2-CG1 4.41Å; V223-V258 HydrophobicContact CG2-CG2 4.41Å; A254-V258 HydrophobicContact CB-CG2 3.79Å; A254-V258 PolarHBondContact O-N 3.36Å; V258-L260 HydrophobicContact CG2-CD2 4.17Å; V258-L260 HydrophobicContact CG2-CG 4.45Å; V258-M354 WeakPolarHBondContact O-CE 3.43Å
259E98.9Very high98.9Very high58 Ų5820 Ų2027%0.27110%0.097SC..  trans-72.7139.2172.7-66.8-180104.900109.8Y261 W265 M354 K355 R358E259-Y261 HydrophobicContact CB-CE2 3.85Å; E259-Y261 PolarHBondContact OE1-OH 2.72Å; E259-W265 WeakPolarHBondContact O-CH2 3.29Å; E259-M354 HydrophobicContact CG-CB 4.5Å; E259-K355 WeakPolarHBondContact OE1-CA 3.01Å; E259-R358 HydrophobicContact CG-CB 3.91Å; E259-R358 HydrophobicContact CG-CG 4.09Å
260L98.9Very high98.9Very high3 Ų320 Ų202%0.01610%0.097CC..  trans-130.5139.5-176.4-66.5170.9000109.5V124 G125 I233 L251 A254 V255 V258 W265V124-L260 CarbonylContact C-O 3.53Å; V124-L260 VanDerWaalsContact C-O 3.31Å; V124-L260 HydrophobicContact CG1-CD1 4.4Å; V124-L260 CarbonylContact O-C 3.52Å; G125-L260 WeakPolarHBondContact CA-O 3.44Å; G125-L260 PolarHBondContact N-O 3.34Å; I233-L260 HydrophobicContact CD1-CD2 3.64Å; L251-L260 HydrophobicContact CD1-CD1 4.08Å; L251-L260 HydrophobicContact CD2-CD2 4.34Å; A254-L260 HydrophobicContact CB-CD1 4.47Å; A254-L260 HydrophobicContact CB-CD2 4.35Å; V255-L260 HydrophobicContact CB-CD1 4.45Å; V258-L260 HydrophobicContact CG2-CD2 4.17Å; V258-L260 HydrophobicContact CG2-CG 4.45Å; L260-W265 HydrophobicContact CB-CZ3 4.46Å; L260-W265 HydrophobicContact CD2-CH2 4.38Å; L260-W265 HydrophobicContact CD2-CZ3 3.89Å
261Y98.9Very high98.9Very high93 Ų9319.5 Ų19.537%0.3659%0.094SC..  trans-134.658.7179.1-56.7-93.6000109.5G125 E259 H263 D264 W265G125-Y261 CarbonylContact O-C 3.29Å; E259-Y261 HydrophobicContact CB-CE2 3.85Å; E259-Y261 PolarHBondContact OE1-OH 2.72Å; Y261-H263 VanDerWaalsContact C-N 3.31Å; Y261-H263 PolarHBondContact O-N 3.01Å; Y261-D264 PolarHBondContact O-N 3.46Å; Y261-W265 AromaticContact CD2-CE2 3.92Å; Y261-W265 HydrophobicContact CD2-CH2 4.08Å; Y261-W265 AromaticContact CD2-CZ2 3.53Å; Y261-W265 HydrophobicContact CD2-CZ2 3.53Å; Y261-W265 HydrophobicContact CE2-CZ2 4.45Å; Y261-W265 HydrophobicContact CG-CZ2 4.33Å; Y261-W265 VanDerWaalsContact O-CB 3.27Å; Y261-W265 WeakPolarHBondContact O-CB 3.35Å; Y261-W265 PolarHBondContact O-N 2.83Å
262L98.9Very high98.9Very high0 Ų019.6 Ų19.60%010%0.095CC..Hα-helixtrans-58.4-40.5-166.8-63.3-177.6000113.2V124 G125 L251 G266 V267 A270 W272 F289V124-L262 HydrophobicContact CB-CD1 3.96Å; V124-L262 HydrophobicContact CB-CG 4.42Å; V124-L262 VanDerWaalsContact O-CG 3.27Å; V124-L262 WeakPolarHBondContact O-CG 3.3Å; V124-L262 PolarHBondContact O-N 2.78Å; G125-L262 PolarHBondContact O-N 3.24Å; L251-L262 HydrophobicContact CD1-CD1 3.71Å; L251-L262 HydrophobicContact CD1-CD2 3.76Å; L251-L262 HydrophobicContact CD1-CG 4.28Å; L262-G266 PolarHBondContact O-N 3.07Å; L262-V267 HydrophobicContact CB-CB 4.47Å; L262-V267 HydrophobicContact CD2-CB 4.33Å; L262-V267 HydrophobicContact CD2-CG1 4.4Å; L262-V267 HydrophobicContact CD2-CG2 3.99Å; L262-V267 PolarHBondContact O-N 2.57Å; L262-V267 VanDerWaalsContact O-N 3.1Å; L262-A270 HydrophobicContact CD1-CB 4.02Å; L262-W272 HydrophobicContact CD1-CZ3 4.42Å; L262-F289 HydrophobicContact CB-CD1 4.08Å; L262-F289 HydrophobicContact CB-CD2 4.33Å; L262-F289 HydrophobicContact CB-CE1 3.77Å; L262-F289 HydrophobicContact CB-CE2 4.02Å; L262-F289 HydrophobicContact CB-CG 4.35Å; L262-F289 HydrophobicContact CB-CZ 3.73Å; L262-F289 HydrophobicContact CD1-CB 3.96Å; L262-F289 HydrophobicContact CD1-CD1 3.82Å; L262-F289 HydrophobicContact CD1-CD2 4.24Å; L262-F289 HydrophobicContact CD1-CE1 4.38Å; L262-F289 HydrophobicContact CD1-CG 3.74Å
263H98.9Very high98.9Very high44 Ų4419.6 Ų19.620%0.20410%0.095CC..Hα-helixtrans-64.1-56175.8-178.3100000111.1G125 N127 E130 Y261 W265 G266 H291 E292G125-H263 WeakPolarHBondContact O-CB 3.44Å; G125-H263 PolarHBondContact O-N 2.9Å; N127-H263 PolarHBondContact OD1-CE1 3.42Å; N127-H263 PolarHBondContact OD1-ND1 3.22Å; E130-H263 VanDerWaalsContact CD-ND1 3.26Å; E130-H263 IonicContact OE1-CE1 3.87Å; E130-H263 IonicContact OE1-CG 3.58Å; E130-H263 IonicContact OE1-ND1 3.7Å; E130-H263 PolarHBondContact OE1-ND1 3.03Å; E130-H263 IonicContact OE2-CG 2.64Å; E130-H263 IonicContact OE2-ND1 2.82Å; E130-H263 PolarHBondContact OE2-ND1 3.1Å; Y261-H263 VanDerWaalsContact C-N 3.31Å; Y261-H263 PolarHBondContact O-N 3.01Å; H263-W265 VanDerWaalsContact C-N 3.31Å; H263-W265 PolarHBondContact O-N 3.41Å; H263-G266 WeakPolarHBondContact O-CA 3.43Å; H263-G266 PolarHBondContact O-N 2.95Å; H263-H291 AromaticContact CE1-CE1 3.73Å; H263-H291 AromaticContact ND1-CE1 3.69Å; H263-H291 AromaticContact ND1-ND1 3.84Å; H263-H291 PolarHBondContact O-NE2 3.25Å; H263-E292 IonicContact CE1-OE1 3.25Å
264D98.9Very high98.9Very high120 Ų12019.2 Ų19.264%0.6429%0.093SC*.Hα-helixtrans-65.9-33.4-174.8-64.4-30.1000112.8Y261 G266Y261-D264 PolarHBondContact O-N 3.46Å; D264-G266 PolarHBondContact O-N 3.36Å
265W98.9Very high98.9Very high53 Ų5322.4 Ų22.420%0.20111%0.105CC..Hα-helixtrans-71.2-15.8173.2-66.3-17.6000112.7I233 P234 E259 L260 Y261 H263 V267I233-W265 HydrophobicContact CB-CE3 4.04Å; I233-W265 HydrophobicContact CB-CZ3 3.91Å; I233-W265 HydrophobicContact CD1-CZ3 3.97Å; I233-W265 HydrophobicContact CG2-CD2 4.5Å; I233-W265 HydrophobicContact CG2-CE3 3.55Å; I233-W265 HydrophobicContact CG2-CZ3 3.83Å; P234-W265 HydrophobicContact CB-CB 4.19Å; P234-W265 HydrophobicContact CB-CD2 4.2Å; P234-W265 HydrophobicContact CB-CG 3.79Å; P234-W265 HydrophobicContact CG-CD2 4.17Å; P234-W265 HydrophobicContact CG-CG 4.26Å; P234-W265 HydrophobicContact CG-CZ2 4.4Å; E259-W265 WeakPolarHBondContact O-CH2 3.29Å; L260-W265 HydrophobicContact CB-CZ3 4.46Å; L260-W265 HydrophobicContact CD2-CH2 4.38Å; L260-W265 HydrophobicContact CD2-CZ3 3.89Å; Y261-W265 AromaticContact CD2-CE2 3.92Å; Y261-W265 HydrophobicContact CD2-CH2 4.08Å; Y261-W265 AromaticContact CD2-CZ2 3.53Å; Y261-W265 HydrophobicContact CD2-CZ2 3.53Å; Y261-W265 HydrophobicContact CE2-CZ2 4.45Å; Y261-W265 HydrophobicContact CG-CZ2 4.33Å; Y261-W265 VanDerWaalsContact O-CB 3.27Å; Y261-W265 WeakPolarHBondContact O-CB 3.35Å; Y261-W265 PolarHBondContact O-N 2.83Å; H263-W265 VanDerWaalsContact C-N 3.31Å; H263-W265 PolarHBondContact O-N 3.41Å; W265-V267 VanDerWaalsContact C-N 3.35Å; W265-V267 HydrophobicContact CB-CG2 4.16Å
266G98.9Very high98.9Very high7 Ų722.9 Ų22.97%0.07211%0.107CC..THydrogen-bonded Turntrans74.723.5178.600000113.5Q241 L262 H263 D264 K293Q241-G266 PolarHBondContact NE2-O 3.45Å; L262-G266 PolarHBondContact O-N 3.07Å; H263-G266 WeakPolarHBondContact O-CA 3.43Å; H263-G266 PolarHBondContact O-N 2.95Å; D264-G266 PolarHBondContact O-N 3.36Å; G266-K293 PolarHBondContact O-NZ 2.79Å
267V98.9Very high98.9Very high0 Ų022.9 Ų22.90%011%0.105CC..  trans-54.6141.4177.2174.10000109.4I233 T237 F249 L262 W265 F269 F289 H291I233-V267 HydrophobicContact CG2-CG2 3.81Å; T237-V267 HydrophobicContact CG2-CG2 4.38Å; F249-V267 HydrophobicContact CD2-CG1 3.78Å; F249-V267 HydrophobicContact CD2-CG2 4.3Å; F249-V267 HydrophobicContact CE2-CG1 4.15Å; F249-V267 HydrophobicContact CE2-CG2 4.11Å; L262-V267 HydrophobicContact CB-CB 4.47Å; L262-V267 HydrophobicContact CD2-CB 4.33Å; L262-V267 HydrophobicContact CD2-CG1 4.4Å; L262-V267 HydrophobicContact CD2-CG2 3.99Å; L262-V267 PolarHBondContact O-N 2.57Å; L262-V267 VanDerWaalsContact O-N 3.1Å; W265-V267 VanDerWaalsContact C-N 3.35Å; W265-V267 HydrophobicContact CB-CG2 4.16Å; V267-F269 WeakPolarHBondContact CG1-O 2.86Å; V267-F289 HydrophobicContact CB-CE1 4.14Å; V267-F289 HydrophobicContact CG1-CE1 4.22Å; V267-F289 WeakPolarHBondContact O-CE1 3.32Å; V267-H291 WeakPolarHBondContact O-CB 3.1Å; V267-H291 PolarHBondContact O-CD2 2.97Å
268D99Very high98.9Very high4 Ų422.7 Ų22.72%0.02110%0.104CC..  trans-80.6-44.3-175.9-64-61.7000112.3F148 Q241 Y246 V247 H291 K293 H294F148-D268 HydrophobicContact CE1-CB 4.1Å; Q241-D268 VanDerWaalsContact NE2-CG 3.32Å; Q241-D268 PolarHBondContact NE2-OD1 3.39Å; Q241-D268 PolarHBondContact NE2-OD2 3.22Å; Y246-D268 WeakPolarHBondContact CA-OD2 3.43Å; Y246-D268 HydrophobicContact CD1-CB 4.21Å; V247-D268 PolarHBondContact N-OD2 3.34Å; V247-D268 WeakPolarHBondContact O-CB 3.34Å; V247-D268 PolarHBondContact O-N 3.01Å; D268-H291 PolarHBondContact O-N 3.39Å; D268-K293 WeakPolarHBondContact OD1-CE 3.45Å; D268-K293 IonicContact OD1-NZ 2.99Å; D268-K293 PolarHBondContact OD1-NZ 2.85Å; D268-H294 IonicContact OD1-CD2 3.56Å; D268-H294 IonicContact OD1-CE1 2.77Å; D268-H294 IonicContact OD1-NE2 3.61Å; D268-H294 PolarHBondContact OD1-NE2 2.89Å
269F99Very high98.9Very high0 Ų022.7 Ų22.70%010%0.104CC..EExtended strand (participates in β ladder)trans-154.2161.1174.565.8-87.5000111.7L144 L145 F148 V217 L219 G248 F249 V267 F289 I290L144-F269 HydrophobicContact CB-CD2 3.94Å; L144-F269 HydrophobicContact CB-CE2 4.32Å; L144-F269 HydrophobicContact CB-CG 4.47Å; L144-F269 HydrophobicContact CD1-CB 4.47Å; L144-F269 HydrophobicContact CD1-CD2 3.89Å; L144-F269 HydrophobicContact CD2-CB 4.28Å; L144-F269 HydrophobicContact CG-CD2 4.4Å; L145-F269 HydrophobicContact CD2-CZ 4.15Å; F148-F269 HydrophobicContact CB-CD1 4.12Å; F148-F269 HydrophobicContact CB-CE1 3.82Å; F148-F269 HydrophobicContact CB-CZ 4.5Å; F148-F269 AromaticContact CD1-CD1 3.73Å; F148-F269 HydrophobicContact CD1-CD1 3.73Å; F148-F269 HydrophobicContact CD1-CE1 4.1Å; F148-F269 HydrophobicContact CD2-CB 4.14Å; F148-F269 AromaticContact CD2-CD1 3.56Å; F148-F269 HydrophobicContact CD2-CD1 3.56Å; F148-F269 HydrophobicContact CD2-CE1 4.12Å; F148-F269 AromaticContact CD2-CG 3.9Å; F148-F269 HydrophobicContact CD2-CG 3.9Å; F148-F269 AromaticContact CE1-CD1 3.96Å; F148-F269 HydrophobicContact CE1-CD1 3.96Å; F148-F269 HydrophobicContact CE2-CB 3.65Å; F148-F269 AromaticContact CE2-CD1 3.81Å; F148-F269 HydrophobicContact CE2-CD1 3.81Å; F148-F269 AromaticContact CE2-CG 3.94Å; F148-F269 HydrophobicContact CE2-CG 3.94Å; F148-F269 AromaticContact CG-CD1 3.52Å; F148-F269 HydrophobicContact CG-CD1 3.52Å; F148-F269 AromaticContact CG-CE1 3.75Å; F148-F269 HydrophobicContact CG-CE1 3.75Å; F148-F269 HydrophobicContact CG-CG 4.32Å; F148-F269 HydrophobicContact CZ-CB 3.96Å; F148-F269 AromaticContact CZ-CD1 3.99Å; F148-F269 HydrophobicContact CZ-CD1 3.99Å; F148-F269 HydrophobicContact CZ-CG 4.37Å; V217-F269 HydrophobicContact CG1-CE1 4.14Å; V217-F269 HydrophobicContact CG1-CZ 3.86Å; L219-F269 HydrophobicContact CD1-CE2 4.15Å; L219-F269 HydrophobicContact CD1-CZ 4.48Å; G248-F269 WeakPolarHBondContact CA-O 3.47Å; F249-F269 PolarHBondContact N-O 2.96Å; V267-F269 WeakPolarHBondContact CG1-O 2.86Å; F269-F289 CarbonylContact C-O 3.57Å; F269-F289 WeakPolarHBondContact CA-O 3.32Å; F269-F289 WeakPolarHBondContact CB-O 3.17Å; F269-I290 HydrophobicContact CB-CG1 4.4Å
270A99Very high98.9Very high0 Ų020.1 Ų20.10%09%0.092CC..EExtended strand (participates in β ladder)trans-152.8162.9170.600000111.4L144 F249 L251 L262 A288 F289L144-A270 WeakPolarHBondContact CD1-O 3.42Å; F249-A270 WeakPolarHBondContact O-CA 3.41Å; F249-A270 WeakPolarHBondContact O-CB 3.43Å; L251-A270 HydrophobicContact CD1-CB 3.55Å; L251-A270 HydrophobicContact CG-CB 4.05Å; L262-A270 HydrophobicContact CD1-CB 4.02Å; A270-A288 CarbonylContact O-C 3.13Å; A270-A288 WeakPolarHBondContact O-CA 3.44Å; A270-F289 HydrophobicContact CB-CB 4.24Å; A270-F289 HydrophobicContact CB-CD1 4.27Å; A270-F289 PolarHBondContact N-O 3.12Å; A270-F289 PolarHBondContact O-N 3.43Å
271C98.9Very high98.9Very high0 Ų021.5 Ų21.50%011%0.108CC..EExtended strand (participates in β ladder)trans-141.2155.2170.654.40000111.1L137 N140 L144 F249 L251 G287L137-C271 HydrophobicContact CD1-CB 3.85Å; N140-C271 HydrophobicContact CB-CB 4.16Å; L144-C271 HydrophobicContact CD1-CB 4.04Å; F249-C271 PolarHBondContact O-N 3.23Å; L251-C271 PolarHBondContact N-O 2.97Å; C271-G287 WeakPolarHBondContact CA-O 3.46Å
272W98.9Very high98.9Very high2 Ų221.3 Ų21.31%0.00813%0.125CC..EExtended strand (participates in β ladder)trans-152157.6177.257.790.1000112.3M120 V124 I131 L137 L251 V255 L262 A286 G287 F289M120-W272 HydrophobicContact CE-CZ2 3.76Å; V124-W272 HydrophobicContact CG1-CE3 4.49Å; V124-W272 HydrophobicContact CG1-CH2 3.94Å; V124-W272 HydrophobicContact CG1-CZ2 4.03Å; V124-W272 HydrophobicContact CG1-CZ3 4.17Å; V124-W272 HydrophobicContact CG2-CH2 4.36Å; I131-W272 HydrophobicContact CG2-CH2 4.08Å; I131-W272 HydrophobicContact CG2-CZ2 4.02Å; L137-W272 VanDerWaalsContact CD1-CA 3.46Å; L251-W272 HydrophobicContact CB-CB 4.12Å; L251-W272 HydrophobicContact CD1-CE3 4.35Å; V255-W272 HydrophobicContact CB-CB 4.14Å; V255-W272 HydrophobicContact CB-CG 4.1Å; V255-W272 HydrophobicContact CG1-CB 3.67Å; V255-W272 HydrophobicContact CG1-CG 3.84Å; V255-W272 HydrophobicContact CG2-CD2 4.41Å; V255-W272 HydrophobicContact CG2-CG 4.13Å; L262-W272 HydrophobicContact CD1-CZ3 4.42Å; W272-A286 WeakPolarHBondContact O-CA 3.36Å; W272-A286 VanDerWaalsContact O-CB 3.26Å; W272-A286 WeakPolarHBondContact O-CB 3.47Å; W272-G287 PolarHBondContact N-O 3.24Å; W272-G287 PolarHBondContact O-N 3.44Å; W272-F289 HydrophobicContact CH2-CB 4.05Å; W272-F289 HydrophobicContact CZ3-CB 3.74Å
273C98.9Very high98.8Very high2 Ų224 Ų241%0.01415%0.153CC..  trans-90.2166.1166.468.20000111.4L137 Y275L137-C273 HydrophobicContact CB-CB 4.03Å; L137-C273 HydrophobicContact CD2-CB 3.97Å; C273-Y275 HydrophobicContact CB-CD1 3.8Å; C273-Y275 HydrophobicContact CB-CE1 3.45Å; C273-Y275 VanDerWaalsContact CB-CE1 3.45Å
274S98.9Very high98.8Very high1 Ų122 Ų221%0.00714%0.144CC..SBendtrans-111-5.2-179.656.20000114.9L278 N279 A280 G284 I285S274-L278 CarbonylContact O-C 3.54Å; S274-L278 VanDerWaalsContact O-CB 3.23Å; S274-L278 WeakPolarHBondContact O-CB 3.48Å; S274-N279 PolarHBondContact O-N 3.11Å; S274-A280 VanDerWaalsContact O-CB 3.24Å; S274-A280 WeakPolarHBondContact O-CB 3.39Å; S274-A280 PolarHBondContact O-N 3.19Å; S274-A280 WeakPolarHBondContact OG-CB 3.33Å; S274-G284 PolarHBondContact OG-O 2.91Å; S274-I285 WeakPolarHBondContact CB-O 3.24Å; S274-I285 PolarHBondContact OG-N 3.27Å; S274-I285 PolarHBondContact OG-O 3.44Å
275Y98.8Very high98.8Very high67 Ų6716.4 Ų16.426%0.26311%0.114SC..SBendtrans-93.5-5-171.661.4-102.8000114.6S75 L76 G77 C273 G281S75-Y275 WeakPolarHBondContact O-CD2 3.43Å; L76-Y275 WeakPolarHBondContact CA-O 3.38Å; G77-Y275 PolarHBondContact N-O 3.03Å; C273-Y275 HydrophobicContact CB-CD1 3.8Å; C273-Y275 HydrophobicContact CB-CE1 3.45Å; C273-Y275 VanDerWaalsContact CB-CE1 3.45Å; Y275-G281 WeakPolarHBondContact CB-O 3.33Å
276K98.9Very high98.8Very high12 Ų1213.9 Ų13.95%0.05211%0.105CC..SBendtrans-84.8-119.1173.2-66.1176.2177.81740109.2G73 N74 S75 G77 A252 H253 L278 N279G73-K276 CarbonylContact O-C 3.35Å; N74-K276 VanDerWaalsContact O-CD 3.29Å; N74-K276 WeakPolarHBondContact O-CD 3.21Å; N74-K276 WeakPolarHBondContact O-CG 3.44Å; S75-K276 WeakPolarHBondContact O-CG 3.33Å; G77-K276 VanDerWaalsContact CA-O 3.29Å; G77-K276 WeakPolarHBondContact CA-O 3.34Å; G77-K276 PolarHBondContact N-O 3.49Å; A252-K276 HydrophobicContact CB-CD 4.33Å; A252-K276 VanDerWaalsContact O-CD 3.26Å; A252-K276 WeakPolarHBondContact O-CD 3.47Å; H253-K276 PolarHBondContact CD2-NZ 2.8Å; H253-K276 PolarHBondContact NE2-NZ 2.89Å; K276-L278 PolarHBondContact O-N 3.33Å; K276-L278 VanDerWaalsContact O-N 3.1Å; K276-N279 PolarHBondContact O-N 3.3Å; K276-N279 PolarHBondContact O-OD1 3.4Å
277Y98.9Very high98.8Very high9 Ų913.6 Ų13.64%0.03510%0.102CC..THydrogen-bonded Turntrans-59.3-26.1-179.2-60.5-79.5000114.1G73 N74 H253 V255 N257 N279 F349 C401 V438G73-Y277 PolarHBondContact O-N 2.88Å; N74-Y277 HydrophobicContact CB-CE1 3.96Å; N74-Y277 HydrophobicContact CB-CE2 3.99Å; N74-Y277 VanDerWaalsContact CB-CZ 3.45Å; N74-Y277 VanDerWaalsContact CB-OH 3.22Å; N74-Y277 WeakPolarHBondContact CB-OH 3.24Å; H253-Y277 HydrophobicContact CB-CE2 4.49Å; H253-Y277 VanDerWaalsContact O-CE2 3.27Å; H253-Y277 WeakPolarHBondContact O-CE2 3.26Å; V255-Y277 WeakPolarHBondContact O-CB 3.34Å; N257-Y277 HydrophobicContact CB-CD1 3.96Å; N257-Y277 HydrophobicContact CB-CD2 3.68Å; N257-Y277 HydrophobicContact CB-CE1 3.97Å; N257-Y277 HydrophobicContact CB-CE2 3.7Å; N257-Y277 HydrophobicContact CB-CG 3.8Å; N257-Y277 PolarHBondContact ND2-OH 2.93Å; Y277-N279 VanDerWaalsContact C-N 3.26Å; Y277-N279 PolarHBondContact O-N 3.22Å; Y277-N279 PolarHBondContact O-ND2 3.17Å; Y277-N279 PolarHBondContact O-OD1 3.12Å; Y277-F349 VanDerWaalsContact O-CZ 3.22Å; Y277-F349 WeakPolarHBondContact O-CZ 3.24Å; Y277-C401 HydrophobicContact CE1-CB 4.04Å; Y277-V438 HydrophobicContact CD1-CG1 3.72Å; Y277-V438 HydrophobicContact CE1-CG1 3.62Å
278L98.9Very high98.8Very high1 Ų113.6 Ų13.61%0.00510%0.102CC..THydrogen-bonded Turntrans-79.70.9176.5-64-177.7000113.9M120 I123 V255 S274 K276 A280 L342 S345 L346 F349M120-L278 HydrophobicContact CE-CD1 4.19Å; M120-L278 HydrophobicContact SD-CD1 4.36Å; I123-L278 HydrophobicContact CD1-CD2 4.28Å; I123-L278 HydrophobicContact CG2-CD2 4.25Å; V255-L278 HydrophobicContact CB-CD1 4.48Å; V255-L278 HydrophobicContact CG1-CD1 3.82Å; V255-L278 HydrophobicContact CG1-CG 4.04Å; V255-L278 HydrophobicContact CG2-CD1 3.81Å; V255-L278 HydrophobicContact CG2-CD2 4.31Å; V255-L278 HydrophobicContact CG2-CG 4.27Å; S274-L278 CarbonylContact O-C 3.54Å; S274-L278 VanDerWaalsContact O-CB 3.23Å; S274-L278 WeakPolarHBondContact O-CB 3.48Å; K276-L278 PolarHBondContact O-N 3.33Å; K276-L278 VanDerWaalsContact O-N 3.1Å; L278-A280 VanDerWaalsContact C-N 3.26Å; L278-A280 PolarHBondContact O-N 3.35Å; L278-L342 HydrophobicContact CB-CD1 4.5Å; L278-S345 WeakPolarHBondContact O-CB 3.41Å; L278-S345 PolarHBondContact O-OG 3.23Å; L278-L346 HydrophobicContact CD2-CD2 4.24Å; L278-F349 HydrophobicContact CD2-CE1 4.45Å; L278-F349 HydrophobicContact CD2-CE2 4.1Å; L278-F349 HydrophobicContact CD2-CZ 4.08Å
279N98.9Very high98.8Very high1 Ų113.4 Ų13.41%0.00510%0.101CC..  trans54.328.7165.2-48.6-50.6000116.7F46 G77 L78 P80 S274 K276 Y277 G281F46-N279 HydrophobicContact CE1-CB 4.17Å; G77-N279 WeakPolarHBondContact CA-OD1 3.33Å; L78-N279 WeakPolarHBondContact O-CB 3.49Å; P80-N279 VanDerWaalsContact CD-O 3.32Å; P80-N279 WeakPolarHBondContact CD-O 3.45Å; P80-N279 HydrophobicContact CG-CB 4.17Å; S274-N279 PolarHBondContact O-N 3.11Å; K276-N279 PolarHBondContact O-N 3.3Å; K276-N279 PolarHBondContact O-OD1 3.4Å; Y277-N279 VanDerWaalsContact C-N 3.26Å; Y277-N279 PolarHBondContact O-N 3.22Å; Y277-N279 PolarHBondContact O-ND2 3.17Å; Y277-N279 PolarHBondContact O-OD1 3.12Å; N279-G281 VanDerWaalsContact C-N 3.31Å; N279-G281 PolarHBondContact O-N 3.07Å
280A98.8Very high98.8Very high3 Ų313.5 Ų13.53%0.02510%0.101CC..  trans-84.42.3-174.200000115.2S274 L278 S341 L342S274-A280 VanDerWaalsContact O-CB 3.24Å; S274-A280 WeakPolarHBondContact O-CB 3.39Å; S274-A280 PolarHBondContact O-N 3.19Å; S274-A280 WeakPolarHBondContact OG-CB 3.33Å; L278-A280 VanDerWaalsContact C-N 3.26Å; L278-A280 PolarHBondContact O-N 3.35Å; A280-S341 VanDerWaalsContact O-CB 3.25Å; A280-S341 WeakPolarHBondContact O-CB 3.41Å; A280-S341 PolarHBondContact O-OG 2.96Å; A280-L342 HydrophobicContact CB-CB 4.06Å; A280-L342 HydrophobicContact CB-CD1 4.09Å
281G98.7Very high98.8Very high33 Ų3314.5 Ų14.534%0.3411%0.106SC..  trans83156.4-174.100000113.4Y275 N279 G283 G284Y275-G281 WeakPolarHBondContact CB-O 3.33Å; N279-G281 VanDerWaalsContact C-N 3.31Å; N279-G281 PolarHBondContact O-N 3.07Å; G281-G283 PolarHBondContact O-N 2.82Å; G281-G284 PolarHBondContact O-N 2.97Å
282A98.7Very high98.8Very high89 Ų8919.5 Ų19.574%0.73613%0.129SC*.THydrogen-bonded Turntrans-53.9129-170.800000112.9L76 G284L76-A282 HydrophobicContact CD2-CB 4.43Å; A282-G284 PolarHBondContact O-N 3.35Å
283G97.9Very high98.8Very high56 Ų5623.8 Ų23.858%0.57715%0.148SC*.THydrogen-bonded Turntrans68.418.7-179.200000114.7G281G281-G283 PolarHBondContact O-N 2.82Å
284G98.6Very high98.8Very high3 Ų324.6 Ų24.63%0.03115%0.151CC..  trans-54.1158.9176.400000113.9S274 G281 A282 A286S274-G284 PolarHBondContact OG-O 2.91Å; G281-G284 PolarHBondContact O-N 2.97Å; A282-G284 PolarHBondContact O-N 3.35Å; G284-A286 PolarHBondContact O-N 3.46Å
285I98.9Very high98.8Very high1 Ų125.1 Ų25.11%0.00516%0.156CC..  trans-55.2128.1-177.7-169.4171.9000110.9L133 S274 P335 L338 V339 L342L133-I285 HydrophobicContact CB-CD1 4.27Å; L133-I285 VanDerWaalsContact O-CD1 3.3Å; L133-I285 WeakPolarHBondContact O-CD1 3.38Å; S274-I285 WeakPolarHBondContact CB-O 3.24Å; S274-I285 PolarHBondContact OG-N 3.27Å; S274-I285 PolarHBondContact OG-O 3.44Å; I285-P335 HydrophobicContact CD1-CG 4.16Å; I285-L338 HydrophobicContact CB-CB 3.78Å; I285-L338 HydrophobicContact CB-CD1 4.2Å; I285-L338 HydrophobicContact CG2-CB 4.09Å; I285-V339 HydrophobicContact CD1-CG2 4.31Å; I285-L342 HydrophobicContact CG2-CB 4.17Å; I285-L342 HydrophobicContact CG2-CD2 3.6Å
286A98.9Very high98.8Very high1 Ų128.7 Ų28.71%0.00817%0.174CC..  trans-82.3174.3-178.500000112.2L133 M134 N135 L137 W272 G284L133-A286 CarbonylContact C-O 3.2Å; L133-A286 WeakPolarHBondContact CA-O 3.21Å; M134-A286 PolarHBondContact N-O 2.73Å; M134-A286 CarbonylContact O-C 3.54Å; N135-A286 PolarHBondContact O-N 3.24Å; L137-A286 VanDerWaalsContact N-CB 3.29Å; W272-A286 WeakPolarHBondContact O-CA 3.36Å; W272-A286 VanDerWaalsContact O-CB 3.26Å; W272-A286 WeakPolarHBondContact O-CB 3.47Å; G284-A286 PolarHBondContact O-N 3.46Å
287G98.9Very high98.7Very high0 Ų032.9 Ų32.90%020%0.201CC..EExtended strand (participates in β ladder)trans-122.5155.4172.900000112.6A132 N140 C271 W272A132-G287 CarbonylContact O-C 3.41Å; A132-G287 VanDerWaalsContact O-CA 3.29Å; A132-G287 WeakPolarHBondContact O-CA 3.14Å; N140-G287 PolarHBondContact ND2-O 3.41Å; C271-G287 WeakPolarHBondContact CA-O 3.46Å; W272-G287 PolarHBondContact N-O 3.24Å; W272-G287 PolarHBondContact O-N 3.44Å
288A99Very high98.7Very high0 Ų032.8 Ų32.80%020%0.201CC..EExtended strand (participates in β ladder)trans-135.4145.5171.200000109.4I131 A132 M134 N140 L144 A270 V326I131-A288 WeakPolarHBondContact CA-O 3.42Å; A132-A288 PolarHBondContact N-O 2.95Å; A132-A288 PolarHBondContact O-N 3.21Å; M134-A288 HydrophobicContact CE-CB 3.9Å; N140-A288 HydrophobicContact CB-CB 4.27Å; L144-A288 HydrophobicContact CD1-CB 4.31Å; A270-A288 CarbonylContact O-C 3.13Å; A270-A288 WeakPolarHBondContact O-CA 3.44Å; A288-V326 HydrophobicContact CB-CG2 3.88Å
289F99Very high98.7Very high0 Ų037.1 Ų37.10%022%0.22CC..EExtended strand (participates in β ladder)trans-123.9136.8173.2164.3-95.2000109.9A126 E130 L262 V267 F269 A270 W272 H291A126-F289 HydrophobicContact CB-CD2 3.58Å; A126-F289 HydrophobicContact CB-CE2 3.45Å; A126-F289 VanDerWaalsContact CB-CE2 3.45Å; E130-F289 HydrophobicContact CB-CD2 3.75Å; E130-F289 HydrophobicContact CB-CE2 3.61Å; E130-F289 HydrophobicContact CG-CE2 4.3Å; E130-F289 WeakPolarHBondContact O-CA 3.24Å; E130-F289 VanDerWaalsContact O-CD2 3.29Å; E130-F289 WeakPolarHBondContact O-CD2 3.48Å; L262-F289 HydrophobicContact CB-CD1 4.08Å; L262-F289 HydrophobicContact CB-CD2 4.33Å; L262-F289 HydrophobicContact CB-CE1 3.77Å; L262-F289 HydrophobicContact CB-CE2 4.02Å; L262-F289 HydrophobicContact CB-CG 4.35Å; L262-F289 HydrophobicContact CB-CZ 3.73Å; L262-F289 HydrophobicContact CD1-CB 3.96Å; L262-F289 HydrophobicContact CD1-CD1 3.82Å; L262-F289 HydrophobicContact CD1-CD2 4.24Å; L262-F289 HydrophobicContact CD1-CE1 4.38Å; L262-F289 HydrophobicContact CD1-CG 3.74Å; V267-F289 HydrophobicContact CB-CE1 4.14Å; V267-F289 HydrophobicContact CG1-CE1 4.22Å; V267-F289 WeakPolarHBondContact O-CE1 3.32Å; F269-F289 CarbonylContact C-O 3.57Å; F269-F289 WeakPolarHBondContact CA-O 3.32Å; F269-F289 WeakPolarHBondContact CB-O 3.17Å; A270-F289 HydrophobicContact CB-CB 4.24Å; A270-F289 HydrophobicContact CB-CD1 4.27Å; A270-F289 PolarHBondContact N-O 3.12Å; A270-F289 PolarHBondContact O-N 3.43Å; W272-F289 HydrophobicContact CH2-CB 4.05Å; W272-F289 HydrophobicContact CZ3-CB 3.74Å; F289-H291 HydrophobicContact CE1-CB 4Å; F289-H291 HydrophobicContact CZ-CB 3.68Å
290I99Very high98.7Very high3 Ų337.8 Ų37.82%0.01522%0.224CC..EExtended strand (participates in β ladder)trans-134.5126.3163.9-60.3177.9000107E130 L144 F148 F269 H294 V326 F329E130-I290 WeakPolarHBondContact CA-O 3.3Å; E130-I290 WeakPolarHBondContact CB-O 3.35Å; E130-I290 PolarHBondContact O-N 2.95Å; E130-I290 VanDerWaalsContact O-N 3.08Å; L144-I290 HydrophobicContact CD2-CD1 3.58Å; L144-I290 HydrophobicContact CD2-CG1 3.52Å; F148-I290 HydrophobicContact CE2-CD1 4.12Å; F148-I290 HydrophobicContact CE2-CG1 4.15Å; F148-I290 HydrophobicContact CE2-CG2 4.32Å; F148-I290 HydrophobicContact CZ-CG2 3.95Å; F269-I290 HydrophobicContact CB-CG1 4.4Å; I290-H294 HydrophobicContact CG2-CB 3.82Å; I290-V326 HydrophobicContact CB-CB 3.93Å; I290-V326 HydrophobicContact CB-CG2 4.43Å; I290-V326 HydrophobicContact CD1-CB 4.05Å; I290-V326 HydrophobicContact CD1-CG2 4.05Å; I290-V326 HydrophobicContact CG1-CB 3.89Å; I290-V326 HydrophobicContact CG1-CG2 3.88Å; I290-F329 HydrophobicContact CD1-CD1 4.37Å; I290-F329 HydrophobicContact CD1-CD2 3.61Å; I290-F329 HydrophobicContact CD1-CE1 4.16Å; I290-F329 HydrophobicContact CD1-CE2 3.37Å; I290-F329 HydrophobicContact CD1-CG 4.13Å; I290-F329 HydrophobicContact CD1-CZ 3.67Å
291H98.9Very high98.7Very high20 Ų2040.3 Ų40.39%0.09325%0.246CC..  trans-63.1138.2179.1-170.8-12000111.4E130 H263 V267 D268 F289 K293 H294E130-H291 WeakPolarHBondContact OE1-CA 3.43Å; E130-H291 IonicContact OE1-CE1 2.98Å; E130-H291 IonicContact OE1-CG 2.68Å; E130-H291 IonicContact OE1-ND1 3.1Å; E130-H291 PolarHBondContact OE1-ND1 3.33Å; H263-H291 AromaticContact CE1-CE1 3.73Å; H263-H291 AromaticContact ND1-CE1 3.69Å; H263-H291 AromaticContact ND1-ND1 3.84Å; H263-H291 PolarHBondContact O-NE2 3.25Å; V267-H291 WeakPolarHBondContact O-CB 3.1Å; V267-H291 PolarHBondContact O-CD2 2.97Å; D268-H291 PolarHBondContact O-N 3.39Å; F289-H291 HydrophobicContact CE1-CB 4Å; F289-H291 HydrophobicContact CZ-CB 3.68Å; H291-K293 HydrophobicContact CB-CG 4.15Å; H291-K293 PolarHBondContact O-N 3.07Å; H291-H294 WeakPolarHBondContact O-CB 3.47Å; H291-H294 PolarHBondContact O-N 3.5Å
292E98.8Very high98.7Very high105 Ų10543.2 Ų43.249%0.49125%0.253SS..G310 helixtrans-56.8-25.4-176.166.8173-152.800114.1E130 H263 H294 A295E130-E292 HydrophobicContact CG-CB 3.91Å; E130-E292 WeakPolarHBondContact OE1-CB 3.24Å; E130-E292 WeakPolarHBondContact OE1-CG 3.22Å; E130-E292 PolarHBondContact OE1-N 3.02Å; H263-E292 IonicContact CE1-OE1 3.25Å; E292-H294 PolarHBondContact O-N 3.19Å; E292-A295 VanDerWaalsContact O-CB 3.24Å; E292-A295 WeakPolarHBondContact O-CB 3.38Å; E292-A295 PolarHBondContact O-N 2.64Å
293K98.8Very high98.7Very high92 Ų9242.2 Ų42.240%0.424%0.237SC..G310 helixtrans-56.1-22.2172.871.8-175.9-177.6-179.30112.9Q241 G266 D268 H291Q241-K293 VanDerWaalsContact NE2-NZ 3.18Å; G266-K293 PolarHBondContact O-NZ 2.79Å; D268-K293 WeakPolarHBondContact OD1-CE 3.45Å; D268-K293 IonicContact OD1-NZ 2.99Å; D268-K293 PolarHBondContact OD1-NZ 2.85Å; H291-K293 HydrophobicContact CB-CG 4.15Å; H291-K293 PolarHBondContact O-N 3.07Å
294H98.9Very high98.8Very high19 Ų1940.2 Ų40.29%0.08822%0.217CC..G310 helixtrans-97.8-3.8179.6-65.7-45.8000114.3F148 Y246 D268 I290 H291 E292 H296 T297 I298F148-H294 AromaticContact CE1-CD2 3.81Å; F148-H294 AromaticContact CZ-CD2 3.91Å; Y246-H294 AromaticContact CE1-CE1 3.71Å; D268-H294 IonicContact OD1-CD2 3.56Å; D268-H294 IonicContact OD1-CE1 2.77Å; D268-H294 IonicContact OD1-NE2 3.61Å; D268-H294 PolarHBondContact OD1-NE2 2.89Å; I290-H294 HydrophobicContact CG2-CB 3.82Å; H291-H294 WeakPolarHBondContact O-CB 3.47Å; H291-H294 PolarHBondContact O-N 3.5Å; E292-H294 PolarHBondContact O-N 3.19Å; H294-H296 PolarHBondContact O-N 3.1Å; H294-T297 PolarHBondContact O-N 3.29Å; H294-T297 VanDerWaalsContact O-N 3.15Å; H294-I298 HydrophobicContact CB-CB 4.03Å; H294-I298 HydrophobicContact CB-CG1 3.73Å; H294-I298 PolarHBondContact O-N 2.91Å
295A98.4Very high98.8Very high12 Ų1245.5 Ų45.510%0.09924%0.236CC..THydrogen-bonded Turntrans-57.2-30-170.100000114.4E292 K299 P324 G325E292-A295 VanDerWaalsContact O-CB 3.24Å; E292-A295 WeakPolarHBondContact O-CB 3.38Å; E292-A295 PolarHBondContact O-N 2.64Å; A295-K299 PolarHBondContact O-NZ 3.22Å; A295-P324 HydrophobicContact CB-CB 4.06Å; A295-G325 PolarHBondContact O-N 2.98Å
296H98.3Very high98.8Very high142 Ų14245.6 Ų45.666%0.65724%0.237SC*.THydrogen-bonded Turntrans-105-15.5-178.2-60.2-69.7000114.4H294 K299H294-H296 PolarHBondContact O-N 3.1Å; H296-K299 VanDerWaalsContact O-CE 3.24Å; H296-K299 WeakPolarHBondContact O-CE 3.19Å
297T98.1Very high98.7Very high101 Ų10145.6 Ų45.662%0.6224%0.236SC*.THydrogen-bonded Turntrans-109.5-31-172.751.60000113.5H294H294-T297 PolarHBondContact O-N 3.29Å; H294-T297 VanDerWaalsContact O-N 3.15Å
298I98.8Very high98.7Very high6 Ų646.4 Ų46.43%0.03124%0.24CC..  trans-103.6122.7174.5-54.3-60.4000108.3F148 Y246 H294 F329F148-I298 HydrophobicContact CD2-CG2 4.21Å; F148-I298 HydrophobicContact CE1-CD1 4.47Å; F148-I298 HydrophobicContact CE1-CG1 3.95Å; F148-I298 HydrophobicContact CE1-CG2 4.26Å; F148-I298 HydrophobicContact CE2-CG2 3.91Å; F148-I298 HydrophobicContact CZ-CB 4.38Å; F148-I298 HydrophobicContact CZ-CG1 4.19Å; F148-I298 HydrophobicContact CZ-CG2 3.95Å; Y246-I298 HydrophobicContact CE1-CD1 4.34Å; H294-I298 HydrophobicContact CB-CB 4.03Å; H294-I298 HydrophobicContact CB-CG1 3.73Å; H294-I298 PolarHBondContact O-N 2.91Å; I298-F329 HydrophobicContact CG2-CZ 4.18Å
299K98.7Very high98.7Very high93 Ų9349.6 Ų49.640%0.40426%0.255SS..  trans-118.6146.2-176.3-60.4-58.4-178.8-172.50110.4S147 A295 H296 A301 L322S147-K299 VanDerWaalsContact CB-O 3.27Å; S147-K299 WeakPolarHBondContact CB-O 3.35Å; S147-K299 PolarHBondContact OG-O 3.21Å; A295-K299 PolarHBondContact O-NZ 3.22Å; H296-K299 VanDerWaalsContact O-CE 3.24Å; H296-K299 WeakPolarHBondContact O-CE 3.19Å; K299-A301 PolarHBondContact O-N 3.19Å; K299-L322 HydrophobicContact CD-CD2 4.19Å
300P98.8Very high98.7Very high14 Ų1452.8 Ų52.89%0.09127%0.271CS..  trans-58.2129.9175.926.5-37.2000110.9S147 L302 V303 L322 G328 F329S147-P300 WeakPolarHBondContact OG-CA 3.29Å; P300-L302 VanDerWaalsContact C-N 3.33Å; P300-V303 HydrophobicContact CB-CG2 4.29Å; P300-V303 HydrophobicContact CG-CG2 3.85Å; P300-L322 HydrophobicContact CG-CD1 3.99Å; P300-L322 HydrophobicContact CG-CD2 3.84Å; P300-L322 HydrophobicContact CG-CG 4.48Å; P300-G328 WeakPolarHBondContact CG-O 3.36Å; P300-F329 HydrophobicContact CB-CB 4.46Å; P300-F329 HydrophobicContact CB-CD1 4.01Å; P300-F329 HydrophobicContact CB-CD2 3.93Å; P300-F329 HydrophobicContact CB-CE1 4.21Å; P300-F329 HydrophobicContact CB-CE2 4.11Å; P300-F329 HydrophobicContact CB-CG 3.87Å; P300-F329 HydrophobicContact CB-CZ 4.24Å; P300-F329 HydrophobicContact CG-CD2 4.41Å
301A98.7Very high98.7Very high57 Ų5757.3 Ų57.347%0.47130%0.304SS..SBendtrans-71.3-32.417300000112L146 S147 K299L146-A301 HydrophobicContact CB-CB 3.6Å; S147-A301 PolarHBondContact OG-N 2.76Å; K299-A301 PolarHBondContact O-N 3.19Å
302L98.8Very high98.7Very high93 Ų9357.1 Ų57.149%0.48730%0.304SS..SBendtrans-116.2123.2176.9-56.2-179.5000109L143 L146 P300 I331L143-L302 HydrophobicContact CD2-CB 4.43Å; L143-L302 HydrophobicContact CD2-CD1 4.03Å; L146-L302 HydrophobicContact CD1-CD1 3.72Å; L146-L302 HydrophobicContact CD1-CG 3.93Å; P300-L302 VanDerWaalsContact C-N 3.33Å; L302-I331 HydrophobicContact CB-CD1 4Å
303V98.8Very high98.7Very high68 Ų6852.5 Ų52.541%0.41228%0.282SS..  trans-114.8135.8-177.7-178.40000109.9P300 L320 L322P300-V303 HydrophobicContact CB-CG2 4.29Å; P300-V303 HydrophobicContact CG-CG2 3.85Å; V303-L320 HydrophobicContact CG1-CD1 3.97Å; V303-L320 HydrophobicContact CG1-CD2 3.89Å; V303-L322 HydrophobicContact CG1-CD1 4.15Å; V303-L322 HydrophobicContact CG2-CD1 4.44Å
304G98.7Very high98.6Very high15 Ų1552.4 Ų52.416%0.15528%0.282CS..  trans-125.7171.516500000111.1F306 G307 I331G304-F306 PolarHBondContact O-N 3.38Å; G304-F306 VanDerWaalsContact O-N 3.09Å; G304-G307 PolarHBondContact O-N 2.66Å; G304-I331 CarbonylContact C-O 3.4Å; G304-I331 VanDerWaalsContact C-O 3.31Å; G304-I331 VanDerWaalsContact CA-O 3.28Å; G304-I331 WeakPolarHBondContact CA-O 3.3Å
305W98.8Very high98.6Very high113 Ų11358.4 Ų58.443%0.42831%0.307SS..G310 helixtrans-63.1-19.1-171.977.1-45.8000114.6G307 H308 R313 F314 M316 I331W305-G307 VanDerWaalsContact C-N 3.29Å; W305-G307 PolarHBondContact O-N 2.8Å; W305-H308 VanDerWaalsContact O-CB 3.24Å; W305-H308 WeakPolarHBondContact O-CB 3.22Å; W305-H308 PolarHBondContact O-N 2.97Å; W305-R313 HydrophobicContact CE3-CG 4.05Å; W305-R313 VanDerWaalsContact O-CD 3.28Å; W305-R313 WeakPolarHBondContact O-CD 3.31Å; W305-R313 WeakPolarHBondContact O-CG 3.41Å; W305-R313 PolarHBondContact O-NE 3.05Å; W305-F314 AromaticContact CH2-CE1 3.9Å; W305-F314 HydrophobicContact CH2-CE1 3.9Å; W305-F314 HydrophobicContact CH2-CZ 4.46Å; W305-F314 HydrophobicContact CZ3-CD1 4.21Å; W305-F314 AromaticContact CZ3-CE1 3.88Å; W305-F314 HydrophobicContact CZ3-CE1 3.88Å; W305-F314 HydrophobicContact CZ3-CZ 4.49Å; W305-M316 HydrophobicContact CZ3-CE 4.18Å; W305-I331 PolarHBondContact N-O 2.68Å
306F98.8Very high98.6Very high4 Ų463.8 Ų63.82%0.01833%0.332CS..G310 helixtrans-80.3-8.1176.4-97.3-117000114.6I110 G304 H308 R313 R330 I331 S332 N333 P334I110-F306 HydrophobicContact CG2-CZ 4.44Å; I110-F306 VanDerWaalsContact O-CE1 3.3Å; I110-F306 WeakPolarHBondContact O-CE1 3.44Å; G304-F306 PolarHBondContact O-N 3.38Å; G304-F306 VanDerWaalsContact O-N 3.09Å; F306-H308 VanDerWaalsContact C-N 3.29Å; F306-R313 PolarHBondContact O-NH2 3.05Å; F306-R313 VanDerWaalsContact O-NH2 3.14Å; F306-R330 CarbonylContact C-O 3.31Å; F306-R330 HydrophobicContact CB-CG 4.09Å; F306-R330 PolarHBondContact O-NE 3.42Å; F306-R330 PolarHBondContact O-NH2 3.12Å; F306-I331 PolarHBondContact N-O 3.29Å; F306-S332 WeakPolarHBondContact CB-O 3.37Å; F306-S332 WeakPolarHBondContact CG-O 3.42Å; F306-N333 HydrophobicContact CD1-CB 4.27Å; F306-N333 HydrophobicContact CD2-CB 4.1Å; F306-N333 VanDerWaalsContact CE1-CA 3.45Å; F306-N333 HydrophobicContact CE1-CB 3.7Å; F306-N333 HydrophobicContact CE2-CB 3.51Å; F306-N333 HydrophobicContact CG-CB 4.44Å; F306-N333 HydrophobicContact CZ-CB 3.27Å; F306-P334 VanDerWaalsContact CE1-CD 3.4Å
307G98.7Very high98.6Very high0 Ų060.4 Ų60.40%032%0.319CS..G310 helixtrans-83.6-8.3167.200000112.3G304 W305 I323 R330G304-G307 PolarHBondContact O-N 2.66Å; W305-G307 VanDerWaalsContact C-N 3.29Å; W305-G307 PolarHBondContact O-N 2.8Å; G307-I323 WeakPolarHBondContact O-CG1 3.2Å; G307-I323 PolarHBondContact O-N 2.79Å; G307-R330 WeakPolarHBondContact CA-O 3.49Å; G307-R330 PolarHBondContact N-O 3.27Å
308H98.9Very high98.6Very high17 Ų1763.3 Ų63.38%0.07933%0.33CS..BIsolated β-bridgetrans-81.5140.6174.5-173121.6000110.8W305 F306 L310 T312 R313 K319 L320 Q321W305-H308 VanDerWaalsContact O-CB 3.24Å; W305-H308 WeakPolarHBondContact O-CB 3.22Å; W305-H308 PolarHBondContact O-N 2.97Å; F306-H308 VanDerWaalsContact C-N 3.29Å; H308-L310 PolarHBondContact O-N 2.76Å; H308-T312 PolarHBondContact NE2-OG1 2.53Å; H308-R313 HydrophobicContact CB-CG 4.39Å; H308-R313 VanDerWaalsContact CD2-CA 3.45Å; H308-R313 WeakPolarHBondContact CD2-CA 3.21Å; H308-R313 PolarHBondContact CD2-N 2.96Å; H308-R313 VanDerWaalsContact O-CZ 3.24Å; H308-R313 PolarHBondContact O-NE 3.39Å; H308-R313 PolarHBondContact O-NH2 3.15Å; H308-K319 PolarHBondContact CE1-O 3.08Å; H308-L320 HydrophobicContact CB-CD1 4.02Å; H308-L320 WeakPolarHBondContact ND1-CA 3.27Å; H308-Q321 CarbonylContact C-O 3.48Å; H308-Q321 VanDerWaalsContact CA-O 3.26Å; H308-Q321 WeakPolarHBondContact CA-O 3.41Å; H308-Q321 PolarHBondContact CE1-N 2.9Å; H308-Q321 VanDerWaalsContact CE1-N 3.27Å; H308-Q321 PolarHBondContact ND1-N 3.09Å; H308-Q321 VanDerWaalsContact ND1-N 3.11Å
309E98.8Very high98.6Very high68 Ų6870 Ų7032%0.31836%0.359SS..  trans-49123.5178-77.6-65.9165.100113.5S311 T312 R313 Q321 I323E309-S311 PolarHBondContact O-N 3.05Å; E309-T312 PolarHBondContact O-N 3.27Å; E309-R313 PolarHBondContact O-N 3.37Å; E309-Q321 HydrophobicContact CB-CB 4.14Å; E309-Q321 HydrophobicContact CG-CB 4.18Å; E309-Q321 PolarHBondContact N-O 3.1Å; E309-I323 HydrophobicContact CG-CG1 4.07Å
310L98.6Very high98.6Very high66 Ų6670 Ų7035%0.34636%0.364SS..Hα-helixtrans-53-40-172.617659.5000113I110 T111 H308 T312 R313 F314I110-L310 HydrophobicContact CG2-CD1 3.46Å; I110-L310 VanDerWaalsContact CG2-CD1 3.46Å; T111-L310 HydrophobicContact CG2-CD2 3.64Å; H308-L310 PolarHBondContact O-N 2.76Å; L310-T312 PolarHBondContact O-N 3.32Å; L310-T312 VanDerWaalsContact O-N 3.08Å; L310-R313 PolarHBondContact O-N 2.9Å; L310-F314 HydrophobicContact CD1-CD2 4.46Å; L310-F314 HydrophobicContact CD1-CE2 3.94Å
311S98.6Very high98.6Very high99 Ų9973.5 Ų73.569%0.69238%0.378SS*.Hα-helixtrans-57.8-23.9-177.5630000114.5E309E309-S311 PolarHBondContact O-N 3.05Å
312T98.6Very high98.6Very high15 Ų1572.9 Ų72.99%0.09237%0.367CS..Hα-helixtrans-127.1-2.9179.459.50000113.9H308 E309 L310 F314 K315 Q321H308-T312 PolarHBondContact NE2-OG1 2.53Å; E309-T312 PolarHBondContact O-N 3.27Å; L310-T312 PolarHBondContact O-N 3.32Å; L310-T312 VanDerWaalsContact O-N 3.08Å; T312-F314 VanDerWaalsContact C-N 3.29Å; T312-F314 PolarHBondContact O-N 2.67Å; T312-K315 HydrophobicContact CG2-CD 4.16Å; T312-K315 VanDerWaalsContact O-CB 3.29Å; T312-K315 WeakPolarHBondContact O-CB 3.33Å; T312-K315 PolarHBondContact O-N 2.92Å; T312-Q321 VanDerWaalsContact OG1-CD 3.31Å; T312-Q321 PolarHBondContact OG1-NE2 3.45Å; T312-Q321 PolarHBondContact OG1-OE1 3.08Å
313R98.6Very high98.6Very high8 Ų869.5 Ų69.53%0.0335%0.349CS..Hα-helixtrans-52.9-43.6-178.2-171.7-178-59.6156.94.7113.1W305 F306 H308 E309 L310 K315 M316W305-R313 HydrophobicContact CE3-CG 4.05Å; W305-R313 VanDerWaalsContact O-CD 3.28Å; W305-R313 WeakPolarHBondContact O-CD 3.31Å; W305-R313 WeakPolarHBondContact O-CG 3.41Å; W305-R313 PolarHBondContact O-NE 3.05Å; F306-R313 PolarHBondContact O-NH2 3.05Å; F306-R313 VanDerWaalsContact O-NH2 3.14Å; H308-R313 HydrophobicContact CB-CG 4.39Å; H308-R313 VanDerWaalsContact CD2-CA 3.45Å; H308-R313 WeakPolarHBondContact CD2-CA 3.21Å; H308-R313 PolarHBondContact CD2-N 2.96Å; H308-R313 VanDerWaalsContact O-CZ 3.24Å; H308-R313 PolarHBondContact O-NE 3.39Å; H308-R313 PolarHBondContact O-NH2 3.15Å; E309-R313 PolarHBondContact O-N 3.37Å; L310-R313 PolarHBondContact O-N 2.9Å; R313-K315 VanDerWaalsContact C-N 3.27Å; R313-K315 PolarHBondContact O-N 2.68Å; R313-M316 PolarHBondContact O-N 3.31Å
314F98.4Very high98.6Very high91 Ų9168.6 Ų68.640%0.39935%0.345SS..THydrogen-bonded Turntrans-82.62.8-178.1-65.8-83.9000114.3I110 W305 L310 T312 M316I110-F314 HydrophobicContact CD1-CE1 4.32Å; I110-F314 HydrophobicContact CD1-CE2 3.74Å; I110-F314 HydrophobicContact CD1-CZ 3.46Å; I110-F314 VanDerWaalsContact CD1-CZ 3.46Å; I110-F314 HydrophobicContact CG1-CE2 4.31Å; I110-F314 HydrophobicContact CG1-CZ 3.81Å; I110-F314 HydrophobicContact CG2-CE2 3.92Å; I110-F314 HydrophobicContact CG2-CZ 4.08Å; W305-F314 AromaticContact CH2-CE1 3.9Å; W305-F314 HydrophobicContact CH2-CE1 3.9Å; W305-F314 HydrophobicContact CH2-CZ 4.46Å; W305-F314 HydrophobicContact CZ3-CD1 4.21Å; W305-F314 AromaticContact CZ3-CE1 3.88Å; W305-F314 HydrophobicContact CZ3-CE1 3.88Å; W305-F314 HydrophobicContact CZ3-CZ 4.49Å; L310-F314 HydrophobicContact CD1-CD2 4.46Å; L310-F314 HydrophobicContact CD1-CE2 3.94Å; T312-F314 VanDerWaalsContact C-N 3.29Å; T312-F314 PolarHBondContact O-N 2.67Å; F314-M316 VanDerWaalsContact C-N 3.28Å; F314-M316 HydrophobicContact CD1-CE 4.21Å
315K98.5Very high98.6Very high144 Ų14468.3 Ų68.363%0.62634%0.342SS*.THydrogen-bonded Turntrans-70.8-26.2167.7-67.9-175.5174.3174.20112.4T312 R313 D317T312-K315 HydrophobicContact CG2-CD 4.16Å; T312-K315 VanDerWaalsContact O-CB 3.29Å; T312-K315 WeakPolarHBondContact O-CB 3.33Å; T312-K315 PolarHBondContact O-N 2.92Å; R313-K315 VanDerWaalsContact C-N 3.27Å; R313-K315 PolarHBondContact O-N 2.68Å; K315-D317 PolarHBondContact O-N 2.79Å; K315-D317 VanDerWaalsContact O-N 3.16Å
316M97.2Very high98.6Very high125 Ų12562.9 Ų62.962%0.61632%0.321SS*.  trans52.735.7176.1-53.5-174.9-17500114W305 R313 F314 N318W305-M316 HydrophobicContact CZ3-CE 4.18Å; R313-M316 PolarHBondContact O-N 3.31Å; F314-M316 VanDerWaalsContact C-N 3.28Å; F314-M316 HydrophobicContact CD1-CE 4.21Å; M316-N318 VanDerWaalsContact C-N 3.28Å; M316-N318 PolarHBondContact O-N 3.13Å
317D98.3Very high98.6Very high71 Ų7163.5 Ų63.538%0.3833%0.325SS..  trans-87.94.9-178.165.52.5000113.6K315 K319K315-D317 PolarHBondContact O-N 2.79Å; K315-D317 VanDerWaalsContact O-N 3.16Å; D317-K319 PolarHBondContact O-N 2.92Å; D317-K319 VanDerWaalsContact O-N 3.17Å; D317-K319 WeakPolarHBondContact OD1-CB 3.48Å; D317-K319 PolarHBondContact OD1-N 3.28Å
318N98Very high98.6Very high162 Ų16263.5 Ų63.587%0.86633%0.325SS*.SBendtrans56.221.2-175-62.2-17.4000114.6M316M316-N318 VanDerWaalsContact C-N 3.28Å; M316-N318 PolarHBondContact O-N 3.13Å
319K98.6Very high98.6Very high146 Ų14662.8 Ų62.864%0.63532%0.322SS*.  trans-99.185.2174.4-64.1173.5-177.1-79.10110H308 D317 Q321H308-K319 PolarHBondContact CE1-O 3.08Å; D317-K319 PolarHBondContact O-N 2.92Å; D317-K319 VanDerWaalsContact O-N 3.17Å; D317-K319 WeakPolarHBondContact OD1-CB 3.48Å; D317-K319 PolarHBondContact OD1-N 3.28Å; K319-Q321 PolarHBondContact O-N 3.12Å; K319-Q321 VanDerWaalsContact O-N 3.16Å
320L98.8Very high98.6Very high95 Ų9559.7 Ų59.750%0.49731%0.308SS..  trans-51.6119.4-176.4178.164.8000112.5V303 H308 L322V303-L320 HydrophobicContact CG1-CD1 3.97Å; V303-L320 HydrophobicContact CG1-CD2 3.89Å; H308-L320 HydrophobicContact CB-CD1 4.02Å; H308-L320 WeakPolarHBondContact ND1-CA 3.27Å; L320-L322 HydrophobicContact CD1-CB 4.39Å; L320-L322 HydrophobicContact CD1-CD1 4.31Å; L320-L322 HydrophobicContact CD2-CB 4.29Å; L320-L322 HydrophobicContact CD2-CD1 4.42Å; L320-L322 HydrophobicContact CG-CB 4.15Å
321Q98.8Very high98.6Very high86 Ų8658.7 Ų58.740%0.40230%0.302SS..  trans-108.688.6166.3-64.3-176.926.100107.6H308 E309 T312 K319 I323H308-Q321 CarbonylContact C-O 3.48Å; H308-Q321 VanDerWaalsContact CA-O 3.26Å; H308-Q321 WeakPolarHBondContact CA-O 3.41Å; H308-Q321 PolarHBondContact CE1-N 2.9Å; H308-Q321 VanDerWaalsContact CE1-N 3.27Å; H308-Q321 PolarHBondContact ND1-N 3.09Å; H308-Q321 VanDerWaalsContact ND1-N 3.11Å; E309-Q321 HydrophobicContact CB-CB 4.14Å; E309-Q321 HydrophobicContact CG-CB 4.18Å; E309-Q321 PolarHBondContact N-O 3.1Å; T312-Q321 VanDerWaalsContact OG1-CD 3.31Å; T312-Q321 PolarHBondContact OG1-NE2 3.45Å; T312-Q321 PolarHBondContact OG1-OE1 3.08Å; K319-Q321 PolarHBondContact O-N 3.12Å; K319-Q321 VanDerWaalsContact O-N 3.16Å; Q321-I323 PolarHBondContact O-N 3.31Å
322L98.9Very high98.6Very high44 Ų4457 Ų5723%0.2329%0.29CS..BIsolated β-bridgetrans-73.5127-171.2-172.871.4000111.6K299 P300 V303 L320K299-L322 HydrophobicContact CD-CD2 4.19Å; P300-L322 HydrophobicContact CG-CD1 3.99Å; P300-L322 HydrophobicContact CG-CD2 3.84Å; P300-L322 HydrophobicContact CG-CG 4.48Å; V303-L322 HydrophobicContact CG1-CD1 4.15Å; V303-L322 HydrophobicContact CG2-CD1 4.44Å; L320-L322 HydrophobicContact CD1-CB 4.39Å; L320-L322 HydrophobicContact CD1-CD1 4.31Å; L320-L322 HydrophobicContact CD2-CB 4.29Å; L320-L322 HydrophobicContact CD2-CD1 4.42Å; L320-L322 HydrophobicContact CG-CB 4.15Å
323I98.9Very high98.6Very high23 Ų2360.7 Ų60.712%0.11831%0.309CS..PPolyproline II helixtrans-63.1129.7173.9-61.1164.4000109.1G307 E309 Q321 C327 G328G307-I323 WeakPolarHBondContact O-CG1 3.2Å; G307-I323 PolarHBondContact O-N 2.79Å; E309-I323 HydrophobicContact CG-CG1 4.07Å; Q321-I323 PolarHBondContact O-N 3.31Å; I323-C327 HydrophobicContact CB-CB 4.44Å; I323-C327 HydrophobicContact CG2-CB 3.73Å; I323-G328 WeakPolarHBondContact O-CA 3.48Å
324P98.8Very high98.6Very high49 Ų4960.7 Ų60.732%0.31831%0.31SS..SBendtrans-64147.2173.1-21.533.4000112.9A295A295-P324 HydrophobicContact CB-CB 4.06Å
325G98.8Very high98.6Very high8 Ų859.1 Ų59.18%0.08231%0.309CS..SBendtrans78.2-158.8176.100000114.3A295 C327 G328A295-G325 PolarHBondContact O-N 2.98Å; G325-C327 VanDerWaalsContact C-N 3.3Å; G325-C327 PolarHBondContact O-N 3.22Å; G325-G328 PolarHBondContact O-N 2.8Å; G325-G328 VanDerWaalsContact O-N 3.07Å
326V98.9Very high98.7Very high0 Ų053.6 Ų53.60%029%0.287CS..G310 helixtrans-65.1-29.9-169.770.80000113.5E130 I131 A132 A288 I290 G328 F329E130-V326 WeakPolarHBondContact O-CG1 3.37Å; I131-V326 VanDerWaalsContact C-CG1 3.44Å; A132-V326 HydrophobicContact CB-CB 4.47Å; A132-V326 HydrophobicContact CB-CG1 3.94Å; A132-V326 HydrophobicContact CB-CG2 3.86Å; A288-V326 HydrophobicContact CB-CG2 3.88Å; I290-V326 HydrophobicContact CB-CB 3.93Å; I290-V326 HydrophobicContact CB-CG2 4.43Å; I290-V326 HydrophobicContact CD1-CB 4.05Å; I290-V326 HydrophobicContact CD1-CG2 4.05Å; I290-V326 HydrophobicContact CG1-CB 3.89Å; I290-V326 HydrophobicContact CG1-CG2 3.88Å; V326-G328 PolarHBondContact O-N 2.97Å; V326-F329 WeakPolarHBondContact O-CA 3.49Å; V326-F329 VanDerWaalsContact O-CB 3.28Å; V326-F329 WeakPolarHBondContact O-CB 3.43Å; V326-F329 PolarHBondContact O-N 3.18Å
327C98.9Very high98.7Very high16 Ų1651.4 Ų51.411%0.10828%0.277CS..G310 helixtrans-64.4-22.5176.1-69.30000112.6I323 G325 F329 R330I323-C327 HydrophobicContact CB-CB 4.44Å; I323-C327 HydrophobicContact CG2-CB 3.73Å; G325-C327 VanDerWaalsContact C-N 3.3Å; G325-C327 PolarHBondContact O-N 3.22Å; C327-F329 PolarHBondContact O-N 3.47Å; C327-R330 WeakPolarHBondContact O-CB 3.47Å; C327-R330 PolarHBondContact O-N 3.36Å
328G98.8Very high98.8Very high0 Ų050.8 Ų50.80%027%0.273CS..G310 helixtrans-65.4-23.6169.400000113.5P300 I323 G325 V326 R330P300-G328 WeakPolarHBondContact CG-O 3.36Å; I323-G328 WeakPolarHBondContact O-CA 3.48Å; G325-G328 PolarHBondContact O-N 2.8Å; G325-G328 VanDerWaalsContact O-N 3.07Å; V326-G328 PolarHBondContact O-N 2.97Å; G328-R330 VanDerWaalsContact C-N 3.3Å
329F98.9Very high98.8Very high3 Ų343.1 Ų43.11%0.01323%0.232CC..G310 helixtrans-82.4-6.2176.6-71.1-115.7000113M134 L143 S147 I290 I298 P300 V326 C327 I331M134-F329 HydrophobicContact CE-CB 4.04Å; L143-F329 HydrophobicContact CB-CD1 4.44Å; L143-F329 WeakPolarHBondContact O-CE1 3.36Å; S147-F329 VanDerWaalsContact OG-CE1 3.22Å; S147-F329 WeakPolarHBondContact OG-CE1 3.44Å; S147-F329 WeakPolarHBondContact OG-CZ 3.14Å; I290-F329 HydrophobicContact CD1-CD1 4.37Å; I290-F329 HydrophobicContact CD1-CD2 3.61Å; I290-F329 HydrophobicContact CD1-CE1 4.16Å; I290-F329 HydrophobicContact CD1-CE2 3.37Å; I290-F329 HydrophobicContact CD1-CG 4.13Å; I290-F329 HydrophobicContact CD1-CZ 3.67Å; I298-F329 HydrophobicContact CG2-CZ 4.18Å; P300-F329 HydrophobicContact CB-CB 4.46Å; P300-F329 HydrophobicContact CB-CD1 4.01Å; P300-F329 HydrophobicContact CB-CD2 3.93Å; P300-F329 HydrophobicContact CB-CE1 4.21Å; P300-F329 HydrophobicContact CB-CE2 4.11Å; P300-F329 HydrophobicContact CB-CG 3.87Å; P300-F329 HydrophobicContact CB-CZ 4.24Å; P300-F329 HydrophobicContact CG-CD2 4.41Å; V326-F329 WeakPolarHBondContact O-CA 3.49Å; V326-F329 VanDerWaalsContact O-CB 3.28Å; V326-F329 WeakPolarHBondContact O-CB 3.43Å; V326-F329 PolarHBondContact O-N 3.18Å; C327-F329 PolarHBondContact O-N 3.47Å; F329-I331 PolarHBondContact O-N 2.93Å
330R98.9Very high98.8Very high3 Ų336.1 Ų36.11%0.01120%0.202CC..  trans-75.4110.4175.9-174.1178.455.2-151.5-4.1110.1D113 E114 M134 F306 G307 C327 G328D113-R330 IonicContact OD1-NH1 3Å; D113-R330 VanDerWaalsContact OD2-CD 3.24Å; D113-R330 WeakPolarHBondContact OD2-CD 3.38Å; D113-R330 IonicContact OD2-CZ 3.57Å; D113-R330 IonicContact OD2-NE 2.92Å; D113-R330 IonicContact OD2-NH1 3.87Å; D113-R330 PolarHBondContact OD2-NH1 3.16Å; E114-R330 IonicContact OE1-CZ 3.78Å; E114-R330 VanDerWaalsContact OE1-CZ 3.23Å; E114-R330 IonicContact OE1-NH1 3.68Å; E114-R330 PolarHBondContact OE1-NH1 2.98Å; E114-R330 IonicContact OE1-NH2 3.59Å; E114-R330 PolarHBondContact OE1-NH2 3.44Å; M134-R330 VanDerWaalsContact SD-CA 3.56Å; M134-R330 HydrophobicContact SD-CB 3.9Å; M134-R330 HydrophobicContact SD-CG 4.28Å; F306-R330 CarbonylContact C-O 3.31Å; F306-R330 HydrophobicContact CB-CG 4.09Å; F306-R330 PolarHBondContact O-NE 3.42Å; F306-R330 PolarHBondContact O-NH2 3.12Å; G307-R330 WeakPolarHBondContact CA-O 3.49Å; G307-R330 PolarHBondContact N-O 3.27Å; C327-R330 WeakPolarHBondContact O-CB 3.47Å; C327-R330 PolarHBondContact O-N 3.36Å; G328-R330 VanDerWaalsContact C-N 3.3Å
331I98.9Very high98.8Very high45 Ų4532.2 Ų32.223%0.23118%0.182CC..  trans-81.3-46.1-174.9-62.5175.4000111.4L143 L302 G304 W305 F306 F329L143-I331 HydrophobicContact CD1-CD1 4.19Å; L143-I331 HydrophobicContact CD2-CD1 3.69Å; L302-I331 HydrophobicContact CB-CD1 4Å; G304-I331 CarbonylContact C-O 3.4Å; G304-I331 VanDerWaalsContact C-O 3.31Å; G304-I331 VanDerWaalsContact CA-O 3.28Å; G304-I331 WeakPolarHBondContact CA-O 3.3Å; W305-I331 PolarHBondContact N-O 2.68Å; F306-I331 PolarHBondContact N-O 3.29Å; F329-I331 PolarHBondContact O-N 2.93Å
332S98.9Very high98.9Very high63 Ų6328.1 Ų28.144%0.44116%0.163SC..SBendtrans-120.1168.7-166.9-65.70000113F306F306-S332 WeakPolarHBondContact CB-O 3.37Å; F306-S332 WeakPolarHBondContact CG-O 3.42Å
333N98.6Very high98.9Very high92 Ų9226.6 Ų26.649%0.49216%0.155SC..  trans-64.5143.1171.97293000111.4F306F306-N333 HydrophobicContact CD1-CB 4.27Å; F306-N333 HydrophobicContact CD2-CB 4.1Å; F306-N333 VanDerWaalsContact CE1-CA 3.45Å; F306-N333 HydrophobicContact CE1-CB 3.7Å; F306-N333 HydrophobicContact CE2-CB 3.51Å; F306-N333 HydrophobicContact CG-CB 4.44Å; F306-N333 HydrophobicContact CZ-CB 3.27Å
334P98.7Very high98.9Very high8 Ų825.6 Ų25.65%0.05215%0.15CC..  trans-76140.9-173.731.5-37000112W109 D113 F306 I336W109-P334 WeakPolarHBondContact O-CG 3.49Å; D113-P334 HydrophobicContact CB-CB 3.87Å; D113-P334 HydrophobicContact CB-CG 4.31Å; D113-P334 WeakPolarHBondContact OD1-CG 3.42Å; F306-P334 VanDerWaalsContact CE1-CD 3.4Å; P334-I336 PolarHBondContact O-N 2.94Å; P334-I336 VanDerWaalsContact O-N 3.12Å
335P98.8Very high98.9Very high58 Ų5823.3 Ų23.338%0.37714%0.135SC..  trans-75.2101.2178.629.6-34.2000111.4I285 L337 L338 V339I285-P335 HydrophobicContact CD1-CG 4.16Å; P335-L337 VanDerWaalsContact C-N 3.28Å; P335-L337 PolarHBondContact O-N 2.93Å; P335-L337 VanDerWaalsContact O-N 3.14Å; P335-L338 HydrophobicContact CB-CB 4.45Å; P335-L338 HydrophobicContact CB-CD1 4.14Å; P335-L338 HydrophobicContact CB-CG 4.11Å; P335-L338 HydrophobicContact CG-CB 4.11Å; P335-L338 HydrophobicContact CG-CD1 3.69Å; P335-L338 HydrophobicContact CG-CG 4.02Å; P335-L338 PolarHBondContact O-N 2.87Å; P335-V339 PolarHBondContact O-N 2.9Å
336I98.9Very high98.9Very high29 Ų2922.9 Ų22.915%0.14913%0.131CC..Hα-helixtrans-55.1-37-172.6-173.965.4000114.3E90 R107 W109 P334 L338 V339 C340E90-I336 HydrophobicContact CB-CG1 4.16Å; E90-I336 HydrophobicContact CG-CD1 4.24Å; E90-I336 HydrophobicContact CG-CG1 3.83Å; R107-I336 HydrophobicContact CB-CD1 3.86Å; W109-I336 HydrophobicContact CG-CB 4.31Å; W109-I336 HydrophobicContact CG-CG1 4.27Å; P334-I336 PolarHBondContact O-N 2.94Å; P334-I336 VanDerWaalsContact O-N 3.12Å; I336-L338 VanDerWaalsContact C-N 3.29Å; I336-L338 PolarHBondContact O-N 3.38Å; I336-V339 HydrophobicContact CD1-CB 4.28Å; I336-V339 HydrophobicContact CD1-CG1 4.39Å; I336-V339 VanDerWaalsContact O-CB 3.31Å; I336-V339 WeakPolarHBondContact O-CB 3.41Å; I336-V339 PolarHBondContact O-N 3.46Å; I336-V339 VanDerWaalsContact O-N 3.12Å; I336-C340 PolarHBondContact O-N 2.69Å; I336-C340 PolarHBondContact O-SG 3.35Å
337L98.9Very high98.9Very high78 Ų7825.4 Ų25.441%0.40814%0.143SC..Hα-helixtrans-66.7-31.2-179.2-57.6-175.3000112.5L87 L91 P335 C340 S341L87-L337 HydrophobicContact CD2-CB 3.96Å; L87-L337 HydrophobicContact CD2-CD2 4.03Å; L91-L337 HydrophobicContact CD2-CD2 4.19Å; P335-L337 VanDerWaalsContact C-N 3.28Å; P335-L337 PolarHBondContact O-N 2.93Å; P335-L337 VanDerWaalsContact O-N 3.14Å; L337-C340 WeakPolarHBondContact O-CB 3.32Å; L337-C340 PolarHBondContact O-N 2.74Å; L337-S341 PolarHBondContact O-N 2.98Å
338L98.9Very high98.9Very high59 Ų5925.4 Ų25.431%0.30914%0.142SC..Hα-helixtrans-76-31.2174.1-55.6-172.5000111.6I285 P335 I336 C340 S341 L342I285-L338 HydrophobicContact CB-CB 3.78Å; I285-L338 HydrophobicContact CB-CD1 4.2Å; I285-L338 HydrophobicContact CG2-CB 4.09Å; P335-L338 HydrophobicContact CB-CB 4.45Å; P335-L338 HydrophobicContact CB-CD1 4.14Å; P335-L338 HydrophobicContact CB-CG 4.11Å; P335-L338 HydrophobicContact CG-CB 4.11Å; P335-L338 HydrophobicContact CG-CD1 3.69Å; P335-L338 HydrophobicContact CG-CG 4.02Å; P335-L338 PolarHBondContact O-N 2.87Å; I336-L338 VanDerWaalsContact C-N 3.29Å; I336-L338 PolarHBondContact O-N 3.38Å; L338-C340 VanDerWaalsContact C-N 3.29Å; L338-S341 PolarHBondContact O-OG 2.8Å; L338-L342 WeakPolarHBondContact O-CB 3.43Å; L338-L342 PolarHBondContact O-N 3.31Å
339V98.9Very high98.9Very high0 Ų025.7 Ų25.70%014%0.143CC..Hα-helixtrans-60.9-41.3170.1173.70000109.8G112 I116 I285 P335 I336 H343G112-V339 VanDerWaalsContact O-CG1 3.22Å; G112-V339 WeakPolarHBondContact O-CG1 3.41Å; I116-V339 HydrophobicContact CD1-CB 4.48Å; I116-V339 HydrophobicContact CD1-CG1 3.71Å; I116-V339 HydrophobicContact CG1-CG1 4.06Å; I116-V339 HydrophobicContact CG2-CG1 4.16Å; I285-V339 HydrophobicContact CD1-CG2 4.31Å; P335-V339 PolarHBondContact O-N 2.9Å; I336-V339 HydrophobicContact CD1-CB 4.28Å; I336-V339 HydrophobicContact CD1-CG1 4.39Å; I336-V339 VanDerWaalsContact O-CB 3.31Å; I336-V339 WeakPolarHBondContact O-CB 3.41Å; I336-V339 PolarHBondContact O-N 3.46Å; I336-V339 VanDerWaalsContact O-N 3.12Å; V339-H343 WeakPolarHBondContact O-CB 3.46Å; V339-H343 PolarHBondContact O-N 3.2Å
340C98.9Very high98.9Very high0 Ų031.3 Ų31.30%017%0.167CC..Hα-helixtrans-58.8-50.3178.7-65.10000113.1Y86 L87 E90 I336 L337 L338 H343 A344Y86-C340 PolarHBondContact O-SG 3.47Å; L87-C340 HydrophobicContact CD2-CB 3.86Å; L87-C340 HydrophobicContact CG-CB 4.16Å; E90-C340 WeakPolarHBondContact CG-SG 3.38Å; I336-C340 PolarHBondContact O-N 2.69Å; I336-C340 PolarHBondContact O-SG 3.35Å; L337-C340 WeakPolarHBondContact O-CB 3.32Å; L337-C340 PolarHBondContact O-N 2.74Å; L338-C340 VanDerWaalsContact C-N 3.29Å; C340-H343 PolarHBondContact O-N 2.82Å; C340-A344 PolarHBondContact O-N 3.34Å; C340-A344 VanDerWaalsContact O-N 3.09Å
341S98.9Very high98.9Very high12 Ų1237.1 Ų37.18%0.08420%0.195CC..Hα-helixtrans-67.7-41.1-177.264.60000111.9A280 L337 L338 A344 S345A280-S341 VanDerWaalsContact O-CB 3.25Å; A280-S341 WeakPolarHBondContact O-CB 3.41Å; A280-S341 PolarHBondContact O-OG 2.96Å; L337-S341 PolarHBondContact O-N 2.98Å; L338-S341 PolarHBondContact O-OG 2.8Å; S341-A344 PolarHBondContact O-N 2.89Å; S341-S345 PolarHBondContact O-N 2.89Å
342L98.9Very high98.9Very high1 Ų135 Ų351%0.00518%0.184CC..Hα-helixtrans-63.3-46.9174.4178.557.1000111.2I116 L133 L278 A280 I285 L338 A344 S345 L346I116-L342 HydrophobicContact CD1-CB 4.37Å; I116-L342 HydrophobicContact CD1-CD2 4.13Å; I116-L342 HydrophobicContact CD1-CG 4.15Å; L133-L342 HydrophobicContact CD1-CD2 3.99Å; L133-L342 HydrophobicContact CD2-CD2 4.2Å; L278-L342 HydrophobicContact CB-CD1 4.5Å; A280-L342 HydrophobicContact CB-CB 4.06Å; A280-L342 HydrophobicContact CB-CD1 4.09Å; I285-L342 HydrophobicContact CG2-CB 4.17Å; I285-L342 HydrophobicContact CG2-CD2 3.6Å; L338-L342 WeakPolarHBondContact O-CB 3.43Å; L338-L342 PolarHBondContact O-N 3.31Å; L342-A344 VanDerWaalsContact C-N 3.32Å; L342-A344 PolarHBondContact O-N 3.33Å; L342-S345 WeakPolarHBondContact O-CB 3.45Å; L342-S345 PolarHBondContact O-N 2.98Å; L342-L346 HydrophobicContact CD1-CD1 3.98Å; L342-L346 HydrophobicContact CD1-CD2 3.86Å; L342-L346 HydrophobicContact CD1-CG 3.69Å; L342-L346 HydrophobicContact CD2-CD1 4.32Å; L342-L346 HydrophobicContact CG-CD1 3.82Å; L342-L346 HydrophobicContact CG-CG 3.95Å; L342-L346 WeakPolarHBondContact O-CG 3.41Å; L342-L346 PolarHBondContact O-N 2.9Å
343H98.9Very high98.9Very high11 Ų1135.3 Ų35.35%0.05118%0.183CC..Hα-helixtrans-55.4-46.3178.6-171.5165.2000111.5Y86 R107 I116 V339 C340 S345 L346 E347Y86-H343 HydrophobicContact CD2-CB 3.97Å; Y86-H343 AromaticContact CD2-CG 3.84Å; Y86-H343 HydrophobicContact CE2-CB 4.15Å; Y86-H343 AromaticContact CE2-CD2 3.51Å; Y86-H343 AromaticContact CE2-CG 3.59Å; Y86-H343 AromaticContact CE2-ND1 3.93Å; Y86-H343 AromaticContact CE2-NE2 3.73Å; R107-H343 PolarHBondContact NE-ND1 3.43Å; I116-H343 HydrophobicContact CD1-CB 4.23Å; I116-H343 HydrophobicContact CG2-CB 3.91Å; I116-H343 WeakPolarHBondContact CG2-ND1 3.21Å; V339-H343 WeakPolarHBondContact O-CB 3.46Å; V339-H343 PolarHBondContact O-N 3.2Å; C340-H343 PolarHBondContact O-N 2.82Å; H343-S345 PolarHBondContact O-N 2.85Å; H343-L346 PolarHBondContact O-N 2.86Å; H343-L346 VanDerWaalsContact O-N 3.15Å; H343-E347 IonicContact NE2-OE1 2.68Å; H343-E347 PolarHBondContact O-N 2.75Å; H343-E347 VanDerWaalsContact O-N 3.09Å
344A98.9Very high98.9Very high3 Ų331.5 Ų31.53%0.02516%0.163CC..Hα-helixtrans-57.3-36.3177.800000113.1M82 V83 Y86 C340 S341 L342M82-A344 HydrophobicContact CB-CB 4.24Å; V83-A344 HydrophobicContact CG2-CB 3.92Å; Y86-A344 HydrophobicContact CD1-CB 4.36Å; Y86-A344 HydrophobicContact CD2-CB 4.11Å; Y86-A344 HydrophobicContact CG-CB 4.04Å; C340-A344 PolarHBondContact O-N 3.34Å; C340-A344 VanDerWaalsContact O-N 3.09Å; S341-A344 PolarHBondContact O-N 2.89Å; L342-A344 VanDerWaalsContact C-N 3.32Å; L342-A344 PolarHBondContact O-N 3.33Å
345S98.9Very high98.9Very high0 Ų038.6 Ų38.60%019%0.193CC..Hα-helixtrans-73.5-46.3173.4178.60000112.6L278 S341 L342 H343 E347 I348 F349L278-S345 WeakPolarHBondContact O-CB 3.41Å; L278-S345 PolarHBondContact O-OG 3.23Å; S341-S345 PolarHBondContact O-N 2.89Å; L342-S345 WeakPolarHBondContact O-CB 3.45Å; L342-S345 PolarHBondContact O-N 2.98Å; H343-S345 PolarHBondContact O-N 2.85Å; S345-E347 PolarHBondContact O-N 2.84Å; S345-I348 WeakPolarHBondContact O-CA 3.39Å; S345-I348 VanDerWaalsContact O-CB 3.29Å; S345-I348 WeakPolarHBondContact O-CB 3.21Å; S345-I348 PolarHBondContact O-N 2.82Å; S345-F349 WeakPolarHBondContact O-CD2 3.41Å; S345-F349 PolarHBondContact O-N 2.71Å; S345-F349 VanDerWaalsContact O-N 3.13Å
346L98.9Very high98.9Very high0 Ų037.4 Ų37.40%019%0.188CC..Hα-helixtrans-63.8-28.6-174.8-65.1-172.1000113.1L119 M120 I123 L278 L342 H343 I348 F349 K350L119-L346 HydrophobicContact CB-CB 3.78Å; L119-L346 HydrophobicContact CB-CD1 3.95Å; L119-L346 HydrophobicContact CB-CG 4.48Å; L119-L346 HydrophobicContact CD1-CB 3.78Å; L119-L346 HydrophobicContact CG-CB 4.42Å; M120-L346 HydrophobicContact CG-CD1 3.85Å; M120-L346 HydrophobicContact SD-CD1 3.7Å; M120-L346 HydrophobicContact SD-CD2 3.6Å; M120-L346 VanDerWaalsContact SD-CD2 3.6Å; M120-L346 HydrophobicContact SD-CG 4.32Å; I123-L346 HydrophobicContact CD1-CD2 3.62Å; L278-L346 HydrophobicContact CD2-CD2 4.24Å; L342-L346 HydrophobicContact CD1-CD1 3.98Å; L342-L346 HydrophobicContact CD1-CD2 3.86Å; L342-L346 HydrophobicContact CD1-CG 3.69Å; L342-L346 HydrophobicContact CD2-CD1 4.32Å; L342-L346 HydrophobicContact CG-CD1 3.82Å; L342-L346 HydrophobicContact CG-CG 3.95Å; L342-L346 WeakPolarHBondContact O-CG 3.41Å; L342-L346 PolarHBondContact O-N 2.9Å; H343-L346 PolarHBondContact O-N 2.86Å; H343-L346 VanDerWaalsContact O-N 3.15Å; L346-I348 VanDerWaalsContact C-N 3.32Å; L346-I348 PolarHBondContact O-N 3.24Å; L346-F349 PolarHBondContact O-N 3.18Å; L346-K350 WeakPolarHBondContact O-CB 3.26Å; L346-K350 PolarHBondContact O-N 3.33Å
347E98.9Very high98.9Very high52 Ų5236.1 Ų36.124%0.24318%0.181CC..Hα-helixtrans-64.2-36170.6-75.5-70176.700112.4L119 H343 S345 K350 Q351L119-E347 HydrophobicContact CD1-CG 4.33Å; H343-E347 IonicContact NE2-OE1 2.68Å; H343-E347 PolarHBondContact O-N 2.75Å; H343-E347 VanDerWaalsContact O-N 3.09Å; S345-E347 PolarHBondContact O-N 2.84Å; E347-K350 PolarHBondContact O-N 3.41Å; E347-Q351 WeakPolarHBondContact O-CG 3.38Å; E347-Q351 PolarHBondContact O-N 3Å; E347-Q351 VanDerWaalsContact O-N 3.15Å
348I98.9Very high98.9Very high17 Ų1732.7 Ų32.79%0.08716%0.163CC..Hα-helixtrans-65.5-44.7173.3-60173.3000109.8F42 C45 F46 P80 S345 L346 K350 Q351 A352 L440F42-I348 HydrophobicContact CD1-CG2 3.72Å; F42-I348 HydrophobicContact CE1-CG2 4.18Å; F42-I348 HydrophobicContact CG-CG2 4.45Å; C45-I348 HydrophobicContact CB-CD1 3.76Å; C45-I348 HydrophobicContact CB-CG1 4.42Å; F46-I348 HydrophobicContact CE1-CD1 4.32Å; F46-I348 HydrophobicContact CE2-CD1 4.07Å; F46-I348 HydrophobicContact CE2-CG2 4.27Å; F46-I348 HydrophobicContact CZ-CD1 3.74Å; F46-I348 HydrophobicContact CZ-CG2 4.24Å; P80-I348 HydrophobicContact CB-CD1 3.79Å; P80-I348 HydrophobicContact CG-CD1 4.27Å; S345-I348 WeakPolarHBondContact O-CA 3.39Å; S345-I348 VanDerWaalsContact O-CB 3.29Å; S345-I348 WeakPolarHBondContact O-CB 3.21Å; S345-I348 PolarHBondContact O-N 2.82Å; L346-I348 VanDerWaalsContact C-N 3.32Å; L346-I348 PolarHBondContact O-N 3.24Å; I348-K350 VanDerWaalsContact C-N 3.31Å; I348-K350 PolarHBondContact O-N 3.41Å; I348-Q351 PolarHBondContact O-N 3.47Å; I348-A352 WeakPolarHBondContact O-CB 3.38Å; I348-A352 PolarHBondContact O-N 2.96Å; I348-L440 HydrophobicContact CG2-CD2 3.63Å
349F98.9Very high98.9Very high6 Ų637 Ų373%0.02618%0.179CC..Hα-helixtrans-60.5-39.3176-85-89.1000112.5I123 Y277 L278 S345 L346 Q351 A352 T353 M354 L357 L440I123-F349 HydrophobicContact CD1-CB 3.87Å; I123-F349 HydrophobicContact CD1-CD1 4.23Å; I123-F349 HydrophobicContact CD1-CG 4.06Å; Y277-F349 VanDerWaalsContact O-CZ 3.22Å; Y277-F349 WeakPolarHBondContact O-CZ 3.24Å; L278-F349 HydrophobicContact CD2-CE1 4.45Å; L278-F349 HydrophobicContact CD2-CE2 4.1Å; L278-F349 HydrophobicContact CD2-CZ 4.08Å; S345-F349 WeakPolarHBondContact O-CD2 3.41Å; S345-F349 PolarHBondContact O-N 2.71Å; S345-F349 VanDerWaalsContact O-N 3.13Å; L346-F349 PolarHBondContact O-N 3.18Å; F349-Q351 VanDerWaalsContact C-N 3.32Å; F349-Q351 PolarHBondContact O-N 3.14Å; F349-A352 PolarHBondContact O-N 2.77Å; F349-T353 WeakPolarHBondContact O-CA 3.43Å; F349-T353 PolarHBondContact O-N 2.92Å; F349-M354 HydrophobicContact CD1-SD 3.74Å; F349-M354 HydrophobicContact CE1-SD 3.75Å; F349-L357 HydrophobicContact CD1-CD1 3.58Å; F349-L357 HydrophobicContact CE1-CD1 3.62Å; F349-L440 HydrophobicContact CD2-CD1 4.39Å; F349-L440 HydrophobicContact CE1-CD1 4.25Å; F349-L440 HydrophobicContact CE2-CD1 3.69Å; F349-L440 HydrophobicContact CZ-CD1 3.6Å
350K98.8Very high98.8Very high120 Ų12037.8 Ų37.852%0.52218%0.183SC..Hα-helixtrans-61.5-39.2175.5175.9168.5172.8-71.80112.3L119 L346 E347 I348L119-K350 HydrophobicContact CD2-CB 4.29Å; L119-K350 HydrophobicContact CD2-CD 3.41Å; L119-K350 VanDerWaalsContact CD2-CD 3.41Å; L119-K350 HydrophobicContact CD2-CG 4.43Å; L346-K350 WeakPolarHBondContact O-CB 3.26Å; L346-K350 PolarHBondContact O-N 3.33Å; E347-K350 PolarHBondContact O-N 3.41Å; I348-K350 VanDerWaalsContact C-N 3.31Å; I348-K350 PolarHBondContact O-N 3.41Å
351Q98.8Very high98.8Very high125 Ų12537.8 Ų37.858%0.58418%0.183SC*.Hα-helixtrans-75-39.8176.8-61.9-65.8-10.600112.3F42 E347 I348 F349F42-Q351 HydrophobicContact CE1-CB 3.74Å; F42-Q351 HydrophobicContact CZ-CB 3.72Å; E347-Q351 WeakPolarHBondContact O-CG 3.38Å; E347-Q351 PolarHBondContact O-N 3Å; E347-Q351 VanDerWaalsContact O-N 3.15Å; I348-Q351 PolarHBondContact O-N 3.47Å; F349-Q351 VanDerWaalsContact C-N 3.32Å; F349-Q351 PolarHBondContact O-N 3.14Å
352A98.8Very high98.8Very high2 Ų237.9 Ų37.92%0.01718%0.182CC..Hα-helixtrans-76.7-36.2-176.900000113F42 I348 F349 A356 L357 L440F42-A352 HydrophobicContact CD2-CB 4.06Å; F42-A352 HydrophobicContact CE1-CB 4.34Å; F42-A352 HydrophobicContact CE2-CB 3.65Å; F42-A352 HydrophobicContact CZ-CB 3.81Å; I348-A352 WeakPolarHBondContact O-CB 3.38Å; I348-A352 PolarHBondContact O-N 2.96Å; F349-A352 PolarHBondContact O-N 2.77Å; A352-A356 VanDerWaalsContact O-CB 3.31Å; A352-A356 WeakPolarHBondContact O-CB 3.42Å; A352-L357 HydrophobicContact CB-CD1 4.04Å; A352-L357 HydrophobicContact CB-CD2 3.95Å; A352-L357 HydrophobicContact CB-CG 3.96Å; A352-L440 HydrophobicContact CB-CD2 4.09Å
353T98.8Very high98.8Very high68 Ų6839.7 Ų39.742%0.41719%0.192SC..  trans65.5138.3-170.777.10000114.3F349 K355 A356 L357F349-T353 WeakPolarHBondContact O-CA 3.43Å; F349-T353 PolarHBondContact O-N 2.92Å; T353-K355 VanDerWaalsContact C-N 3.25Å; T353-K355 PolarHBondContact O-N 3.27Å; T353-A356 PolarHBondContact O-N 3.12Å; T353-A356 PolarHBondContact OG1-N 3.02Å; T353-L357 VanDerWaalsContact O-CG 3.27Å; T353-L357 WeakPolarHBondContact O-CG 3.41Å; T353-L357 PolarHBondContact O-N 3.22Å; T353-L357 VanDerWaalsContact O-N 3.09Å
354M98.8Very high98.8Very high13 Ų1339.2 Ų39.26%0.06419%0.189CC..Hα-helixtrans-58.9-37177.5-79.7-50.8-58.800113I123 V258 E259 F349 A356 L357 R358I123-M354 HydrophobicContact CB-CG 4.37Å; I123-M354 HydrophobicContact CG1-CG 4.16Å; I123-M354 HydrophobicContact CG2-CG 4.45Å; I123-M354 HydrophobicContact CG2-SD 4.46Å; V258-M354 WeakPolarHBondContact O-CE 3.43Å; E259-M354 HydrophobicContact CG-CB 4.5Å; F349-M354 HydrophobicContact CD1-SD 3.74Å; F349-M354 HydrophobicContact CE1-SD 3.75Å; M354-A356 PolarHBondContact O-N 2.91Å; M354-L357 PolarHBondContact O-N 2.97Å; M354-L357 HydrophobicContact SD-CD1 4.06Å; M354-R358 VanDerWaalsContact O-CB 3.31Å; M354-R358 WeakPolarHBondContact O-CB 3.31Å; M354-R358 PolarHBondContact O-N 3.32Å
355K98.7Very high98.8Very high156 Ų15639 Ų3968%0.67819%0.188SC*.Hα-helixtrans-59.3-46.8177.8-175.5175.1-177.6173.60112.8E259 T353 K359E259-K355 WeakPolarHBondContact OE1-CA 3.01Å; T353-K355 VanDerWaalsContact C-N 3.25Å; T353-K355 PolarHBondContact O-N 3.27Å; K355-K359 WeakPolarHBondContact O-CB 3.38Å; K355-K359 PolarHBondContact O-N 3.38Å; K355-K359 VanDerWaalsContact O-N 3.08Å
356A98.8Very high98.8Very high33 Ų3339.2 Ų39.227%0.27319%0.189SC..Hα-helixtrans-71.4-38.9179.100000111.4L39 A352 T353 M354 K359 K360L39-A356 HydrophobicContact CD1-CB 4.05Å; L39-A356 HydrophobicContact CD2-CB 4.09Å; A352-A356 VanDerWaalsContact O-CB 3.31Å; A352-A356 WeakPolarHBondContact O-CB 3.42Å; T353-A356 PolarHBondContact O-N 3.12Å; T353-A356 PolarHBondContact OG1-N 3.02Å; M354-A356 PolarHBondContact O-N 2.91Å; A356-K359 PolarHBondContact O-N 3.3Å; A356-K360 PolarHBondContact O-N 2.96Å
357L98.9Very high98.8Very high3 Ų339.2 Ų39.22%0.01619%0.189CC..Hα-helixtrans-59.7-49.7175.7-68.7171.4000111.4L39 F349 A352 T353 M354 K359 K360 S361 P439 L440L39-L357 HydrophobicContact CD1-CD2 3.98Å; F349-L357 HydrophobicContact CD1-CD1 3.58Å; F349-L357 HydrophobicContact CE1-CD1 3.62Å; A352-L357 HydrophobicContact CB-CD1 4.04Å; A352-L357 HydrophobicContact CB-CD2 3.95Å; A352-L357 HydrophobicContact CB-CG 3.96Å; T353-L357 VanDerWaalsContact O-CG 3.27Å; T353-L357 WeakPolarHBondContact O-CG 3.41Å; T353-L357 PolarHBondContact O-N 3.22Å; T353-L357 VanDerWaalsContact O-N 3.09Å; M354-L357 PolarHBondContact O-N 2.97Å; M354-L357 HydrophobicContact SD-CD1 4.06Å; L357-K359 VanDerWaalsContact C-N 3.34Å; L357-K359 PolarHBondContact O-N 3.39Å; L357-K360 PolarHBondContact O-N 3.1Å; L357-S361 WeakPolarHBondContact O-CB 3.39Å; L357-S361 PolarHBondContact O-N 2.95Å; L357-P439 HydrophobicContact CB-CB 4.45Å; L357-P439 HydrophobicContact CB-CG 3.85Å; L357-P439 HydrophobicContact CD2-CB 3.94Å; L357-P439 HydrophobicContact CD2-CG 3.76Å; L357-P439 HydrophobicContact CG-CG 4.42Å; L357-P439 WeakPolarHBondContact O-CB 3.46Å; L357-P439 WeakPolarHBondContact O-CG 3.25Å; L357-L440 HydrophobicContact CD1-CD2 4.42Å; L357-L440 HydrophobicContact CD1-CG 4.49Å; L357-L440 HydrophobicContact CD2-CD2 3.64Å; L357-L440 HydrophobicContact CD2-CG 3.69Å
358R98.8Very high98.8Very high6 Ų636.7 Ų36.72%0.02318%0.178CC..Hα-helixtrans-60.3-43.8177.2177.555.7-179.6163.32.6111.5E259 M354 K360 S361 I362 I396 E397 R399E259-R358 HydrophobicContact CG-CB 3.91Å; E259-R358 HydrophobicContact CG-CG 4.09Å; M354-R358 VanDerWaalsContact O-CB 3.31Å; M354-R358 WeakPolarHBondContact O-CB 3.31Å; M354-R358 PolarHBondContact O-N 3.32Å; R358-K360 PolarHBondContact O-N 2.98Å; R358-S361 WeakPolarHBondContact O-CB 3.47Å; R358-S361 PolarHBondContact O-N 2.88Å; R358-I362 HydrophobicContact CG-CD1 4.18Å; R358-I362 WeakPolarHBondContact O-CG1 3.23Å; R358-I362 PolarHBondContact O-N 3.49Å; R358-I396 PolarHBondContact NH2-O 2.84Å; R358-E397 IonicContact NH2-OE2 2.75Å; R358-E397 PolarHBondContact NH2-OE2 3.44Å; R358-R399 PolarHBondContact NH1-O 3.38Å; R358-R399 PolarHBondContact NH2-O 3.21Å
359K98.7Very high98.8Very high149 Ų14936.8 Ų36.865%0.64818%0.178SC*.Hα-helixtrans-58.2-46175.8-175.8175.6179.3175.80112.2K355 A356 L357 L363K355-K359 WeakPolarHBondContact O-CB 3.38Å; K355-K359 PolarHBondContact O-N 3.38Å; K355-K359 VanDerWaalsContact O-N 3.08Å; A356-K359 PolarHBondContact O-N 3.3Å; L357-K359 VanDerWaalsContact C-N 3.34Å; L357-K359 PolarHBondContact O-N 3.39Å; K359-L363 PolarHBondContact O-N 2.86Å
360K98.8Very high98.8Very high17 Ų1738 Ų387%0.07418%0.182CC..Hα-helixtrans-64.8-43.3175.4177.2176.8171.9-176.30111.3D37 L39 A356 L357 R358 I362 L363 L364 P439 N442D37-K360 WeakPolarHBondContact OD2-CE 3.34Å; D37-K360 IonicContact OD2-NZ 2.7Å; D37-K360 PolarHBondContact OD2-NZ 3.44Å; L39-K360 HydrophobicContact CB-CD 4.25Å; L39-K360 HydrophobicContact CD1-CB 4.13Å; L39-K360 HydrophobicContact CD1-CD 4.2Å; A356-K360 PolarHBondContact O-N 2.96Å; L357-K360 PolarHBondContact O-N 3.1Å; R358-K360 PolarHBondContact O-N 2.98Å; K360-I362 PolarHBondContact O-N 3.07Å; K360-L363 PolarHBondContact O-N 3.25Å; K360-L364 WeakPolarHBondContact O-CB 3.35Å; K360-L364 PolarHBondContact O-N 3.09Å; K360-P439 HydrophobicContact CB-CB 3.79Å; K360-P439 HydrophobicContact CD-CB 3.69Å; K360-P439 WeakPolarHBondContact CD-O 3.49Å; K360-P439 WeakPolarHBondContact CE-O 3.47Å; K360-P439 HydrophobicContact CG-CB 3.76Å; K360-P439 PolarHBondContact NZ-O 3.07Å; K360-N442 WeakPolarHBondContact CE-O 3.37Å; K360-N442 PolarHBondContact NZ-O 3.37Å
361S98.9Very high98.7Very high0 Ų032.3 Ų32.30%016%0.158CC..Hα-helixtrans-57.4-45.2178.2172.70000112.4L357 R358 L363 L364 T365 C401L357-S361 WeakPolarHBondContact O-CB 3.39Å; L357-S361 PolarHBondContact O-N 2.95Å; R358-S361 WeakPolarHBondContact O-CB 3.47Å; R358-S361 PolarHBondContact O-N 2.88Å; S361-L363 VanDerWaalsContact C-N 3.31Å; S361-L363 PolarHBondContact O-N 2.74Å; S361-L364 PolarHBondContact O-N 3.39Å; S361-T365 WeakPolarHBondContact O-CB 3.48Å; S361-T365 PolarHBondContact O-N 2.83Å; S361-T365 PolarHBondContact O-OG1 3.08Å; S361-C401 PolarHBondContact OG-SG 3.5Å
362I98.8Very high98.6Very high13 Ų1326.6 Ų26.67%0.06713%0.131CC..Hα-helixtrans-55.8-47.6177.2-71.6167.5000110.7P9 R358 K360 G366 I396P9-I362 HydrophobicContact CG-CG2 3.85Å; P9-I362 WeakPolarHBondContact CG-O 3.3Å; R358-I362 HydrophobicContact CG-CD1 4.18Å; R358-I362 WeakPolarHBondContact O-CG1 3.23Å; R358-I362 PolarHBondContact O-N 3.49Å; K360-I362 PolarHBondContact O-N 3.07Å; I362-G366 WeakPolarHBondContact O-CA 3.29Å; I362-G366 PolarHBondContact O-N 3.42Å; I362-I396 HydrophobicContact CG2-CB 4.32Å; I362-I396 HydrophobicContact CG2-CD1 4.23Å; I362-I396 HydrophobicContact CG2-CG2 4.39Å
363L98.8Very high98.4Very high40 Ų4031.4 Ų31.421%0.20915%0.152CC..Hα-helixtrans-72.4-40.9179.9-172.957.2000112.4P9 T12 L33 K359 K360 S361 G366 Y367 F444P9-L363 HydrophobicContact CB-CD1 4.05Å; T12-L363 HydrophobicContact CG2-CD1 3.83Å; T12-L363 HydrophobicContact CG2-CD2 4.3Å; L33-L363 HydrophobicContact CD2-CD2 4.05Å; K359-L363 PolarHBondContact O-N 2.86Å; K360-L363 PolarHBondContact O-N 3.25Å; S361-L363 VanDerWaalsContact C-N 3.31Å; S361-L363 PolarHBondContact O-N 2.74Å; L363-G366 PolarHBondContact O-N 2.79Å; L363-Y367 VanDerWaalsContact O-CB 3.31Å; L363-Y367 WeakPolarHBondContact O-CB 3.31Å; L363-Y367 PolarHBondContact O-N 3.42Å; L363-F444 HydrophobicContact CB-CE1 4.34Å; L363-F444 HydrophobicContact CB-CZ 4.27Å; L363-F444 HydrophobicContact CD2-CE1 4.32Å; L363-F444 HydrophobicContact CD2-CZ 4Å; L363-F444 HydrophobicContact CG-CE1 3.83Å; L363-F444 HydrophobicContact CG-CZ 3.93Å
364L98.9Very high98Very high0 Ų032.4 Ų32.40%015%0.152CC..Hα-helixtrans-67.6-51-177.9-175.763.2000112.1K360 S361 G366 Y367 L368 P437 N442 F444 V447K360-L364 WeakPolarHBondContact O-CB 3.35Å; K360-L364 PolarHBondContact O-N 3.09Å; S361-L364 PolarHBondContact O-N 3.39Å; L364-G366 VanDerWaalsContact C-N 3.32Å; L364-Y367 PolarHBondContact O-N 2.83Å; L364-L368 PolarHBondContact O-N 3.47Å; L364-L368 VanDerWaalsContact O-N 3.1Å; L364-P437 HydrophobicContact CD2-CB 3.86Å; L364-P437 HydrophobicContact CG-CB 4.01Å; L364-P437 HydrophobicContact CG-CG 4.37Å; L364-N442 HydrophobicContact CD2-CB 4.26Å; L364-F444 HydrophobicContact CB-CE1 4.01Å; L364-F444 HydrophobicContact CB-CZ 4.28Å; L364-F444 HydrophobicContact CD1-CB 4.4Å; L364-F444 HydrophobicContact CD1-CD1 3.59Å; L364-F444 HydrophobicContact CD1-CD2 4.37Å; L364-F444 HydrophobicContact CD1-CE1 3.86Å; L364-F444 HydrophobicContact CD1-CG 3.88Å; L364-F444 HydrophobicContact CD1-CZ 4.36Å; L364-V447 HydrophobicContact CD1-CG2 3.67Å; L364-V447 HydrophobicContact CG-CG2 4.2Å
365T98.9Very high97.6Very high0 Ų034.1 Ų34.10%016%0.161CC..Hα-helixtrans-69.5-33.1175.3-560000111.1S361 L368 E369 C401 L403S361-T365 WeakPolarHBondContact O-CB 3.48Å; S361-T365 PolarHBondContact O-N 2.83Å; S361-T365 PolarHBondContact O-OG1 3.08Å; T365-L368 WeakPolarHBondContact O-CB 3.43Å; T365-L368 PolarHBondContact O-N 2.91Å; T365-E369 WeakPolarHBondContact O-CB 3.5Å; T365-E369 PolarHBondContact O-N 2.8Å; T365-C401 WeakPolarHBondContact CG2-O 3.25Å; T365-C401 WeakPolarHBondContact OG1-CA 3.39Å; T365-C401 PolarHBondContact OG1-O 3.11Å; T365-L403 HydrophobicContact CG2-CD1 4Å; T365-L403 HydrophobicContact CG2-CD2 3.8Å; T365-L403 HydrophobicContact CG2-CG 3.62Å
366G98.8Very high97Very high3 Ų328 Ų283%0.03113%0.134CC..Hα-helixtrans-65.6-35.4172.300000113.5I362 L363 L364 E369 Y370I362-G366 WeakPolarHBondContact O-CA 3.29Å; I362-G366 PolarHBondContact O-N 3.42Å; L363-G366 PolarHBondContact O-N 2.79Å; L364-G366 VanDerWaalsContact C-N 3.32Å; G366-E369 PolarHBondContact O-N 2.82Å; G366-Y370 VanDerWaalsContact O-CB 3.31Å; G366-Y370 WeakPolarHBondContact O-CB 3.42Å; G366-Y370 PolarHBondContact O-N 2.9Å
367Y98.8Very high95.8Very high0 Ų028.2 Ų28.20%014%0.139CC..Hα-helixtrans-66.6-43172.7179.9-124.6000111.4V13 V29 A30 L363 L364 Y370 L371 F444 V447V13-Y367 HydrophobicContact CG1-CD2 4.12Å; V13-Y367 HydrophobicContact CG1-CE2 4.14Å; V13-Y367 HydrophobicContact CG2-CD2 3.63Å; V13-Y367 HydrophobicContact CG2-CE2 4.38Å; V13-Y367 HydrophobicContact CG2-CG 4.45Å; V29-Y367 HydrophobicContact CG1-CE2 4.31Å; A30-Y367 HydrophobicContact CB-CE1 4Å; L363-Y367 VanDerWaalsContact O-CB 3.31Å; L363-Y367 WeakPolarHBondContact O-CB 3.31Å; L363-Y367 PolarHBondContact O-N 3.42Å; L364-Y367 PolarHBondContact O-N 2.83Å; Y367-Y370 WeakPolarHBondContact O-CB 3.29Å; Y367-Y370 PolarHBondContact O-N 2.9Å; Y367-L371 HydrophobicContact CD1-CD1 4.35Å; Y367-L371 HydrophobicContact CD2-CD1 4.5Å; Y367-L371 HydrophobicContact CD2-CG 4.23Å; Y367-L371 HydrophobicContact CE1-CD1 3.77Å; Y367-L371 HydrophobicContact CE1-CG 4.49Å; Y367-L371 HydrophobicContact CE2-CD1 3.96Å; Y367-L371 HydrophobicContact CE2-CD2 3.92Å; Y367-L371 HydrophobicContact CE2-CG 3.86Å; Y367-L371 WeakPolarHBondContact O-CG 3.46Å; Y367-L371 PolarHBondContact O-N 2.62Å; Y367-F444 HydrophobicContact CD1-CB 4.4Å; Y367-F444 AromaticContact CD1-CD1 3.96Å; Y367-F444 HydrophobicContact CD1-CD1 3.96Å; Y367-F444 HydrophobicContact CE1-CB 4.46Å; Y367-F444 HydrophobicContact CG-CD1 4.32Å; Y367-V447 HydrophobicContact CD1-CB 3.97Å; Y367-V447 HydrophobicContact CD1-CG1 3.5Å; Y367-V447 HydrophobicContact CE1-CB 4.31Å; Y367-V447 HydrophobicContact CE1-CG1 3.95Å; Y367-V447 HydrophobicContact CG-CG1 4.34Å
368L98.8Very high94Very high0 Ų037.6 Ų37.60%018%0.18CC..Hα-helixtrans-57.8-49.7172.9174.661.8000111.5L364 T365 Y370 L371 I372 L403 V435 P437 V447 F450 T451L364-L368 PolarHBondContact O-N 3.47Å; L364-L368 VanDerWaalsContact O-N 3.1Å; T365-L368 WeakPolarHBondContact O-CB 3.43Å; T365-L368 PolarHBondContact O-N 2.91Å; L368-Y370 VanDerWaalsContact C-N 3.32Å; L368-Y370 PolarHBondContact O-N 2.94Å; L368-L371 PolarHBondContact O-N 3.2Å; L368-I372 HydrophobicContact CD1-CD1 3.7Å; L368-I372 HydrophobicContact CD1-CG1 4.26Å; L368-I372 HydrophobicContact CG-CD1 3.9Å; L368-I372 WeakPolarHBondContact O-CG1 3.35Å; L368-I372 PolarHBondContact O-N 2.96Å; L368-I372 VanDerWaalsContact O-N 3.07Å; L368-L403 HydrophobicContact CB-CD1 4.46Å; L368-L403 HydrophobicContact CD2-CD1 3.86Å; L368-L403 HydrophobicContact CD2-CG 4.44Å; L368-L403 HydrophobicContact CG-CD1 3.94Å; L368-V435 HydrophobicContact CD2-CG2 3.86Å; L368-P437 HydrophobicContact CD2-CG 4Å; L368-V447 VanDerWaalsContact CA-CG1 3.46Å; L368-V447 HydrophobicContact CB-CG1 3.63Å; L368-V447 HydrophobicContact CB-CG2 4.31Å; L368-V447 HydrophobicContact CD1-CG1 3.99Å; L368-V447 HydrophobicContact CG-CG1 4.41Å; L368-F450 HydrophobicContact CD1-CD1 3.58Å; L368-F450 HydrophobicContact CD1-CE1 3.72Å; L368-T451 HydrophobicContact CD1-CG2 3.68Å
369E98.6Very high91.8Very high19 Ų1944.6 Ų44.69%0.08922%0.218CC..Hα-helixtrans-58.5-43.5176175.6175.5-155.100111.8T365 G366 I372 K373 I390 R399 L403T365-E369 WeakPolarHBondContact O-CB 3.5Å; T365-E369 PolarHBondContact O-N 2.8Å; G366-E369 PolarHBondContact O-N 2.82Å; E369-I372 PolarHBondContact O-N 3.35Å; E369-K373 HydrophobicContact CG-CD 3.91Å; E369-K373 HydrophobicContact CG-CG 4.5Å; E369-K373 WeakPolarHBondContact O-CB 3.41Å; E369-K373 WeakPolarHBondContact O-CG 3.33Å; E369-K373 PolarHBondContact O-N 3.12Å; E369-K373 IonicContact OE1-NZ 2.71Å; E369-K373 PolarHBondContact OE1-NZ 3Å; E369-I390 HydrophobicContact CB-CD1 4.47Å; E369-I390 HydrophobicContact CG-CD1 4.02Å; E369-R399 IonicContact OE2-CZ 3.43Å; E369-R399 IonicContact OE2-NE 2.78Å; E369-R399 IonicContact OE2-NH2 3.19Å; E369-R399 PolarHBondContact OE2-NH2 2.85Å; E369-L403 HydrophobicContact CB-CD1 4.06Å
370Y98.1Very high89.1Confident30 Ų3046.1 Ų46.112%0.11823%0.225CC..Hα-helixtrans-60.1-50.5178.6177.4-94.3000111.8A10 V13 Q14 P24 G366 Y367 L368 K373 H374A10-Y370 HydrophobicContact CB-CD2 3.75Å; A10-Y370 HydrophobicContact CB-CE2 4.32Å; V13-Y370 HydrophobicContact CG1-CD1 3.74Å; V13-Y370 HydrophobicContact CG1-CE1 3.69Å; V13-Y370 HydrophobicContact CG1-CG 4.37Å; Q14-Y370 HydrophobicContact CG-CE2 4.4Å; P24-Y370 HydrophobicContact CB-CE1 3.73Å; P24-Y370 WeakPolarHBondContact CB-OH 3.45Å; G366-Y370 VanDerWaalsContact O-CB 3.31Å; G366-Y370 WeakPolarHBondContact O-CB 3.42Å; G366-Y370 PolarHBondContact O-N 2.9Å; Y367-Y370 WeakPolarHBondContact O-CB 3.29Å; Y367-Y370 PolarHBondContact O-N 2.9Å; L368-Y370 VanDerWaalsContact C-N 3.32Å; L368-Y370 PolarHBondContact O-N 2.94Å; Y370-K373 PolarHBondContact O-N 3.5Å; Y370-H374 VanDerWaalsContact O-CB 3.23Å; Y370-H374 WeakPolarHBondContact O-CB 3.43Å; Y370-H374 PolarHBondContact O-N 2.94Å
371L97.8Very high86.4Confident2 Ų250.7 Ų50.71%0.0127%0.266CS..Hα-helixtrans-63.7-42.4-179.8-68.8-176.2000112.2T25 Y367 L368 H374 N375 V447 T451T25-L371 HydrophobicContact CG2-CD2 3.92Å; Y367-L371 HydrophobicContact CD1-CD1 4.35Å; Y367-L371 HydrophobicContact CD2-CD1 4.5Å; Y367-L371 HydrophobicContact CD2-CG 4.23Å; Y367-L371 HydrophobicContact CE1-CD1 3.77Å; Y367-L371 HydrophobicContact CE1-CG 4.49Å; Y367-L371 HydrophobicContact CE2-CD1 3.96Å; Y367-L371 HydrophobicContact CE2-CD2 3.92Å; Y367-L371 HydrophobicContact CE2-CG 3.86Å; Y367-L371 WeakPolarHBondContact O-CG 3.46Å; Y367-L371 PolarHBondContact O-N 2.62Å; L368-L371 PolarHBondContact O-N 3.2Å; L371-H374 PolarHBondContact O-N 3.42Å; L371-N375 WeakPolarHBondContact O-CB 3.43Å; L371-N375 VanDerWaalsContact O-CG 3.29Å; L371-N375 PolarHBondContact O-N 3.39Å; L371-V447 HydrophobicContact CD1-CG1 4.27Å; L371-T451 HydrophobicContact CB-CG2 3.84Å; L371-T451 HydrophobicContact CD1-CG2 4.02Å; L371-T451 VanDerWaalsContact CD1-OG1 3.25Å; L371-T451 WeakPolarHBondContact CD1-OG1 3.32Å
372I95.8Very high84Confident5 Ų553.4 Ų53.43%0.02629%0.288CS..Hα-helixtrans-61-50.3176.2-68.9165.4000110.5L368 E369 H374 N375 Y376 V388 I390 I405 T451L368-I372 HydrophobicContact CD1-CD1 3.7Å; L368-I372 HydrophobicContact CD1-CG1 4.26Å; L368-I372 HydrophobicContact CG-CD1 3.9Å; L368-I372 WeakPolarHBondContact O-CG1 3.35Å; L368-I372 PolarHBondContact O-N 2.96Å; L368-I372 VanDerWaalsContact O-N 3.07Å; E369-I372 PolarHBondContact O-N 3.35Å; I372-H374 VanDerWaalsContact C-N 3.32Å; I372-H374 PolarHBondContact O-N 3.31Å; I372-N375 PolarHBondContact O-N 2.85Å; I372-Y376 PolarHBondContact O-N 3.33Å; I372-V388 HydrophobicContact CG2-CB 4.49Å; I372-V388 HydrophobicContact CG2-CG1 3.73Å; I372-I390 HydrophobicContact CB-CD1 4.42Å; I372-I390 HydrophobicContact CG2-CD1 4.08Å; I372-I390 HydrophobicContact CG2-CG1 4.32Å; I372-I405 HydrophobicContact CD1-CD1 3.54Å; I372-I405 HydrophobicContact CD1-CG1 4.43Å; I372-T451 HydrophobicContact CG1-CG2 4.31Å
373K94.4Very high81.8Confident103 Ų10359.9 Ų59.945%0.44833%0.328SS..Hα-helixtrans-65.8-33.7-179.9-77.1178.8168.71690112.6E369 Y370 G377 I390E369-K373 HydrophobicContact CG-CD 3.91Å; E369-K373 HydrophobicContact CG-CG 4.5Å; E369-K373 WeakPolarHBondContact O-CB 3.41Å; E369-K373 WeakPolarHBondContact O-CG 3.33Å; E369-K373 PolarHBondContact O-N 3.12Å; E369-K373 IonicContact OE1-NZ 2.71Å; E369-K373 PolarHBondContact OE1-NZ 3Å; Y370-K373 PolarHBondContact O-N 3.5Å; K373-G377 WeakPolarHBondContact O-CA 3.44Å; K373-G377 PolarHBondContact O-N 3.03Å; K373-I390 HydrophobicContact CG-CD1 4.41Å
374H92.4Very high79.9Confident89 Ų8966.1 Ų66.141%0.41236%0.356SS..Hα-helixtrans-67.7-43.7176.5-178.7-78.9000111.4H23 T25 Y370 L371 I372H23-H374 AromaticContact CE1-CE1 3.64Å; H23-H374 AromaticContact CE1-NE2 3.46Å; H23-H374 PolarHBondContact CE1-NE2 2.98Å; T25-H374 HydrophobicContact CG2-CB 4.39Å; T25-H374 WeakPolarHBondContact CG2-ND1 3.4Å; Y370-H374 VanDerWaalsContact O-CB 3.23Å; Y370-H374 WeakPolarHBondContact O-CB 3.43Å; Y370-H374 PolarHBondContact O-N 2.94Å; L371-H374 PolarHBondContact O-N 3.42Å; I372-H374 VanDerWaalsContact C-N 3.32Å; I372-H374 PolarHBondContact O-N 3.31Å
375N89.8Confident78.2Confident49 Ų4972.1 Ų72.126%0.26238%0.382SS..Hα-helixtrans-79.9-31.5-175.5-65.1-4.8000113.1L371 I372 T455L371-N375 WeakPolarHBondContact O-CB 3.43Å; L371-N375 VanDerWaalsContact O-CG 3.29Å; L371-N375 PolarHBondContact O-N 3.39Å; I372-N375 PolarHBondContact O-N 2.85Å; N375-T455 PolarHBondContact ND2-OG1 3.39Å
376Y86Confident76.8Confident26 Ų2672.7 Ų72.710%0.10239%0.386CS..Hα-helixtrans-130.414.6-171.7-60.7-72.6000114.6I372 P386 V388 T455 L458 D459I372-Y376 PolarHBondContact O-N 3.33Å; Y376-P386 HydrophobicContact CD1-CG 4.44Å; Y376-P386 HydrophobicContact CE1-CG 4.18Å; Y376-V388 HydrophobicContact CD1-CG2 3.9Å; Y376-V388 HydrophobicContact CD2-CG2 3.83Å; Y376-V388 HydrophobicContact CG-CB 4.17Å; Y376-V388 HydrophobicContact CG-CG2 3.47Å; Y376-V388 VanDerWaalsContact CG-CG2 3.47Å; Y376-T455 VanDerWaalsContact CE2-OG1 3.32Å; Y376-T455 WeakPolarHBondContact CE2-OG1 3.46Å; Y376-T455 WeakPolarHBondContact OH-CA 3.22Å; Y376-T455 VanDerWaalsContact OH-CB 3.23Å; Y376-T455 WeakPolarHBondContact OH-CB 3.31Å; Y376-T455 VanDerWaalsContact OH-CG2 3.3Å; Y376-T455 WeakPolarHBondContact OH-CG2 3.07Å; Y376-T455 PolarHBondContact OH-O 3.41Å; Y376-T455 PolarHBondContact OH-OG1 2.88Å; Y376-L458 HydrophobicContact CD1-CD1 4.3Å; Y376-L458 HydrophobicContact CD2-CD1 4.26Å; Y376-L458 HydrophobicContact CE1-CB 4.23Å; Y376-L458 HydrophobicContact CE1-CD1 3.86Å; Y376-L458 HydrophobicContact CE2-CD1 3.78Å; Y376-D459 PolarHBondContact OH-OD1 2.97Å; Y376-D459 VanDerWaalsContact OH-OD1 3.13Å
377G72.4Confident75.8Confident38 Ų3877 Ų7739%0.39241%0.408SS..  trans-65.7156.3177.400000113K373 D379K373-G377 WeakPolarHBondContact O-CA 3.44Å; K373-G377 PolarHBondContact O-N 3.03Å; G377-D379 PolarHBondContact O-N 3.02Å
378K62.1Low75.4Confident201 Ų20177.9 Ų77.987%0.87441%0.413SS*.SBendtrans-67.44.2-173.6-70.2-175.3176.9178.90115.6
379D51.4Low75.1Confident153 Ų15381.4 Ų81.482%0.81843%0.431SS*.  trans-93.5118.5-179-111.8-25.2000112.2G377G377-D379 PolarHBondContact O-N 3.02Å
380K44Very low75Confident181 Ų18181.8 Ų81.879%0.78743%0.434SS*.SBendtrans101.487.5162.7-58.5-177.9179.71790117.3A382K380-A382 VanDerWaalsContact C-N 3.29Å; K380-A382 PolarHBondContact O-N 3.01Å
381A41.6Very low74.9Confident113 Ų11381 Ų8193%0.93443%0.432SS*.SBend653.6127.500000120.1
382A48.9Very low74.9Confident57 Ų5781.2 Ų81.247%0.47143%0.433SS..  trans-114.9104.6174.700000110.4K380 E384 K385K380-A382 VanDerWaalsContact C-N 3.29Å; K380-A382 PolarHBondContact O-N 3.01Å; A382-E384 PolarHBondContact O-N 3.16Å; A382-K385 HydrophobicContact CB-CG 4.32Å
383T52.3Low75.1Confident148 Ų14881.7 Ų81.791%0.90844%0.436SS*.THydrogen-bonded Turntrans-67.76.6175.8400000114.2
384E58Low75.2Confident171 Ų17180.4 Ų80.480%0.79944%0.441SS*.THydrogen-bonded Turntrans-113.3-5.8-172.8-63.8-176.316800114A382A382-E384 PolarHBondContact O-N 3.16Å
385K62.9Low75.5Confident126 Ų12681 Ų8155%0.54844%0.443SS..SBendtrans-80.6145.1-178.1-72.7-166172.2-168.60113.5A382 I387 E462A382-K385 HydrophobicContact CB-CG 4.32Å; K385-I387 PolarHBondContact O-N 2.83Å; K385-E462 WeakPolarHBondContact CA-OE1 3.5Å
386P70.3Confident75.9Confident12 Ų1279.7 Ų79.78%0.07844%0.436CS..PPolyproline II helixtrans-62130.717426.7-33.9000110.7Y376 V388 V409 L458 E462Y376-P386 HydrophobicContact CD1-CG 4.44Å; Y376-P386 HydrophobicContact CE1-CG 4.18Å; P386-V388 PolarHBondContact O-N 3.39Å; P386-V409 HydrophobicContact CB-CG1 3.3Å; P386-V409 HydrophobicContact CG-CG1 4.48Å; P386-L458 HydrophobicContact CB-CD2 4.27Å; P386-L458 HydrophobicContact CG-CB 3.97Å; P386-L458 HydrophobicContact CG-CD2 4.46Å; P386-E462 WeakPolarHBondContact CD-OE1 3.33Å
387I77.7Confident76.5Confident95 Ų9582.8 Ų82.849%0.48745%0.452SS..EExtended strand (participates in β ladder)trans-82.8121.2178.2-54.9173.5000108.6K385 F407 S408K385-I387 PolarHBondContact O-N 2.83Å; I387-F407 WeakPolarHBondContact O-CA 3.12Å; I387-S408 PolarHBondContact O-N 3.27Å
388V90.3Very high77.7Confident17 Ų1785.1 Ų85.110%0.10345%0.452CS..EExtended strand (participates in β ladder)trans-105.8121.9170.2-173.30000108.4I372 Y376 P386 I405 F407 L458I372-V388 HydrophobicContact CG2-CB 4.49Å; I372-V388 HydrophobicContact CG2-CG1 3.73Å; Y376-V388 HydrophobicContact CD1-CG2 3.9Å; Y376-V388 HydrophobicContact CD2-CG2 3.83Å; Y376-V388 HydrophobicContact CG-CB 4.17Å; Y376-V388 HydrophobicContact CG-CG2 3.47Å; Y376-V388 VanDerWaalsContact CG-CG2 3.47Å; P386-V388 PolarHBondContact O-N 3.39Å; V388-I405 HydrophobicContact CG1-CG2 3.38Å; V388-F407 HydrophobicContact CG1-CD1 4.14Å; V388-F407 HydrophobicContact CG1-CE1 3.89Å; V388-F407 HydrophobicContact CG2-CD1 4.04Å; V388-F407 HydrophobicContact CG2-CE1 4.29Å; V388-L458 HydrophobicContact CG2-CD1 3.64Å
389N92.3Very high79.5Confident74 Ų7475.5 Ų75.540%0.39641%0.41SS..EExtended strand (participates in β ladder)trans-119.2131.7179.8-175.565.3000110.8I405 T406N389-I405 CarbonylContact O-C 3.49Å; N389-I405 VanDerWaalsContact O-CA 3.29Å; N389-I405 WeakPolarHBondContact O-CA 3.43Å; N389-T406 PolarHBondContact N-O 2.96Å; N389-T406 PolarHBondContact O-N 3.27Å
390I96.3Very high81.7Confident28 Ų2868.3 Ų68.314%0.14437%0.372CS..EExtended strand (participates in β ladder)trans-95114.7173.3-58.4174000107.1E369 I372 K373 L403 I405E369-I390 HydrophobicContact CB-CD1 4.47Å; E369-I390 HydrophobicContact CG-CD1 4.02Å; I372-I390 HydrophobicContact CB-CD1 4.42Å; I372-I390 HydrophobicContact CG2-CD1 4.08Å; I372-I390 HydrophobicContact CG2-CG1 4.32Å; K373-I390 HydrophobicContact CG-CD1 4.41Å; I390-L403 HydrophobicContact CG2-CD2 4.14Å; I390-I405 HydrophobicContact CG1-CG1 4.47Å
391I96.8Very high84.3Confident14 Ų1459.7 Ų59.77%0.07234%0.335CS..  trans-73.3-37.8176.4-68.8164.5000110.6E197 T198 T227 T404 T406E197-I391 HydrophobicContact CB-CG2 3.79Å; E197-I391 WeakPolarHBondContact OE1-CD1 3.44Å; E197-I391 WeakPolarHBondContact OE1-CG1 3.49Å; E197-I391 WeakPolarHBondContact OE2-CD1 3.48Å; T198-I391 HydrophobicContact CG2-CG2 4.4Å; T227-I391 HydrophobicContact CG2-CG2 3.99Å; I391-T404 HydrophobicContact CB-CG2 4.43Å; I391-T404 HydrophobicContact CD1-CG2 3.92Å; I391-T404 PolarHBondContact N-O 3.18Å; I391-T406 HydrophobicContact CD1-CG2 3.5Å; I391-T406 VanDerWaalsContact CD1-CG2 3.5Å; I391-T406 HydrophobicContact CG1-CG2 4.34Å
392T98.5Very high87Confident5 Ų554.4 Ų54.43%0.03129%0.291CS..SBendtrans-59.4137.4-177.1-54.70000111.3T227 S394 R399 L403 T404T227-T392 VanDerWaalsContact O-CA 3.24Å; T227-T392 WeakPolarHBondContact O-CA 3.49Å; T227-T392 WeakPolarHBondContact O-CB 3.5Å; T227-T392 PolarHBondContact O-OG1 3.42Å; T392-S394 PolarHBondContact O-N 2.95Å; T392-R399 HydrophobicContact CG2-CB 3.5Å; T392-R399 HydrophobicContact CG2-CG 4.31Å; T392-L403 HydrophobicContact CG2-CD2 3.97Å; T392-L403 WeakPolarHBondContact OG1-CA 3.24Å; T392-T404 PolarHBondContact OG1-N 3.5Å
393P98.6Very high89.4Confident15 Ų1551.7 Ų51.710%0.09727%0.268CS..  trans-53138.4179.1-28.336.4000113.1T198 Q229 E398 R399T198-P393 HydrophobicContact CG2-CG 4.02Å; Q229-P393 HydrophobicContact CB-CG 3.99Å; Q229-P393 HydrophobicContact CG-CG 4.01Å; P393-E398 HydrophobicContact CB-CB 3.69Å; P393-E398 HydrophobicContact CG-CB 4.32Å; P393-R399 WeakPolarHBondContact O-CD 3.31Å
394S97.6Very high91.6Very high77 Ų7744.6 Ų44.654%0.53823%0.225SC..SBendtrans-78.2-23.4-177.565.20000113.8T392 I396T392-S394 PolarHBondContact O-N 2.95Å; S394-I396 PolarHBondContact O-N 3.44Å
395H98.1Very high93.4Very high100 Ų10036.5 Ų36.546%0.46319%0.187SC..SBendtrans-68.2128.1177.8-169.8-83.5000109.7E397 E398H395-E397 PolarHBondContact ND1-N 3.17Å; H395-E397 PolarHBondContact O-N 3.4Å; H395-E397 VanDerWaalsContact O-N 3.12Å; H395-E398 HydrophobicContact CB-CB 4.19Å; H395-E398 HydrophobicContact CB-CG 3.95Å; H395-E398 PolarHBondContact O-N 2.93Å
396I97.8Very high94.8Very high23 Ų2331.9 Ų31.912%0.11817%0.17CC..G310 helixtrans-59.9-31-169.460.3173.4000113.3L8 P9 R358 I362 S394L8-I396 HydrophobicContact CD2-CD1 4.31Å; P9-I396 HydrophobicContact CG-CG2 4.39Å; R358-I396 PolarHBondContact NH2-O 2.84Å; I362-I396 HydrophobicContact CG2-CB 4.32Å; I362-I396 HydrophobicContact CG2-CD1 4.23Å; I362-I396 HydrophobicContact CG2-CG2 4.39Å; S394-I396 PolarHBondContact O-N 3.44Å
397E97.9Very high95.7Very high91 Ų9131.9 Ų31.943%0.42517%0.168SC..G310 helixtrans-82.2-11.7178-59.4-49.1141.900114.2H230 R358 H395H230-E397 PolarHBondContact ND1-O 3.35Å; R358-E397 IonicContact NH2-OE2 2.75Å; R358-E397 PolarHBondContact NH2-OE2 3.44Å; H395-E397 PolarHBondContact ND1-N 3.17Å; H395-E397 PolarHBondContact O-N 3.4Å; H395-E397 VanDerWaalsContact O-N 3.12Å
398E98.7Very high96Very high86 Ų8631 Ų3140%0.40217%0.17SC..G310 helixtrans-98.313.1-178.4-62.8175.9-174.200112.3H230 P393 H395H230-E398 PolarHBondContact N-O 3.02Å; P393-E398 HydrophobicContact CB-CB 3.69Å; P393-E398 HydrophobicContact CG-CB 4.32Å; H395-E398 HydrophobicContact CB-CB 4.19Å; H395-E398 HydrophobicContact CB-CG 3.95Å; H395-E398 PolarHBondContact O-N 2.93Å
399R98.8Very high95.4Very high0 Ų030.7 Ų30.70%017%0.168CC..BIsolated β-bridgetrans-149155.6174.460.3165.317677.8-6.6113.8R358 E369 T392 P393R358-R399 PolarHBondContact NH1-O 3.38Å; R358-R399 PolarHBondContact NH2-O 3.21Å; E369-R399 IonicContact OE2-CZ 3.43Å; E369-R399 IonicContact OE2-NE 2.78Å; E369-R399 IonicContact OE2-NH2 3.19Å; E369-R399 PolarHBondContact OE2-NH2 2.85Å; T392-R399 HydrophobicContact CG2-CB 3.5Å; T392-R399 HydrophobicContact CG2-CG 4.31Å; P393-R399 WeakPolarHBondContact O-CD 3.31Å
400G98.8Very high94.3Very high1 Ų133.2 Ų33.21%0.0119%0.189CC..  trans-94-145.8169.200000113N257 Q402N257-G400 WeakPolarHBondContact OD1-CA 3.45Å; G400-Q402 VanDerWaalsContact C-N 3.33Å; G400-Q402 PolarHBondContact O-N 2.85Å
401C98.9Very high93.1Very high1 Ų137.1 Ų37.11%0.00721%0.21CC..SBendtrans-64.5-34.1175.9-64.30000113.6N257 Y277 S361 T365 A436 V438N257-C401 PolarHBondContact OD1-N 3.15Å; N257-C401 PolarHBondContact OD1-SG 2.8Å; Y277-C401 HydrophobicContact CE1-CB 4.04Å; S361-C401 PolarHBondContact OG-SG 3.5Å; T365-C401 WeakPolarHBondContact CG2-O 3.25Å; T365-C401 WeakPolarHBondContact OG1-CA 3.39Å; T365-C401 PolarHBondContact OG1-O 3.11Å; C401-A436 HydrophobicContact CB-CB 4.36Å; C401-V438 HydrophobicContact CB-CG1 4.33Å
402Q98.8Very high92.1Very high1 Ų138.6 Ų38.61%0.00522%0.216CC..  trans-72.4137.5-172-176.8-178.6-59.600112.3N74 F225 Y226 G400 T404 R434 V435 A436N74-Q402 PolarHBondContact ND2-OE1 3.1Å; F225-Q402 PolarHBondContact O-NE2 3.4Å; F225-Q402 PolarHBondContact O-OE1 3.05Å; Y226-Q402 PolarHBondContact O-NE2 3.39Å; G400-Q402 VanDerWaalsContact C-N 3.33Å; G400-Q402 PolarHBondContact O-N 2.85Å; Q402-T404 PolarHBondContact NE2-OG1 2.88Å; Q402-R434 HydrophobicContact CG-CB 4.38Å; Q402-V435 CarbonylContact C-O 3.31Å; Q402-V435 WeakPolarHBondContact CA-O 3.37Å; Q402-A436 HydrophobicContact CB-CB 4.07Å
403L98.8Very high91.6Very high0 Ų040 Ų400%022%0.224CC..EExtended strand (participates in β ladder)trans-116.5135.8154.9-61.6-179.9000109.5T365 L368 E369 I390 T392 I405 V435T365-L403 HydrophobicContact CG2-CD1 4Å; T365-L403 HydrophobicContact CG2-CD2 3.8Å; T365-L403 HydrophobicContact CG2-CG 3.62Å; L368-L403 HydrophobicContact CB-CD1 4.46Å; L368-L403 HydrophobicContact CD2-CD1 3.86Å; L368-L403 HydrophobicContact CD2-CG 4.44Å; L368-L403 HydrophobicContact CG-CD1 3.94Å; E369-L403 HydrophobicContact CB-CD1 4.06Å; I390-L403 HydrophobicContact CG2-CD2 4.14Å; T392-L403 HydrophobicContact CG2-CD2 3.97Å; T392-L403 WeakPolarHBondContact OG1-CA 3.24Å; L403-I405 HydrophobicContact CB-CG1 4.28Å; L403-V435 HydrophobicContact CB-CG2 4.4Å; L403-V435 PolarHBondContact N-O 3.43Å; L403-V435 PolarHBondContact O-N 3Å
404T97.9Very high91.3Very high0 Ų039.3 Ų39.30%022%0.219CC..EExtended strand (participates in β ladder)trans-104123.2169.7-57.50000108.3Y226 I391 T392 Q402 I433 R434Y226-T404 HydrophobicContact CD2-CG2 4.36Å; Y226-T404 HydrophobicContact CE2-CG2 3.92Å; Y226-T404 WeakPolarHBondContact O-CB 3.47Å; Y226-T404 WeakPolarHBondContact O-CG2 3.39Å; Y226-T404 PolarHBondContact O-OG1 2.86Å; I391-T404 HydrophobicContact CB-CG2 4.43Å; I391-T404 HydrophobicContact CD1-CG2 3.92Å; I391-T404 PolarHBondContact N-O 3.18Å; T392-T404 PolarHBondContact OG1-N 3.5Å; Q402-T404 PolarHBondContact NE2-OG1 2.88Å; T404-I433 WeakPolarHBondContact CA-O 3.24Å; T404-R434 HydrophobicContact CG2-CG 4.17Å
405I96.1Very high91.1Very high0 Ų037.3 Ų37.30%020%0.201CC..EExtended strand (participates in β ladder)trans-125131.9-168.9-53.1162.7000108.1I372 V388 N389 I390 L403 F407 G432 I433 V435I372-I405 HydrophobicContact CD1-CD1 3.54Å; I372-I405 HydrophobicContact CD1-CG1 4.43Å; V388-I405 HydrophobicContact CG1-CG2 3.38Å; N389-I405 CarbonylContact O-C 3.49Å; N389-I405 VanDerWaalsContact O-CA 3.29Å; N389-I405 WeakPolarHBondContact O-CA 3.43Å; I390-I405 HydrophobicContact CG1-CG1 4.47Å; L403-I405 HydrophobicContact CB-CG1 4.28Å; I405-F407 HydrophobicContact CB-CZ 4.19Å; I405-F407 HydrophobicContact CG2-CD1 4.44Å; I405-F407 HydrophobicContact CG2-CE1 3.7Å; I405-F407 HydrophobicContact CG2-CE2 4.36Å; I405-F407 HydrophobicContact CG2-CZ 3.64Å; I405-G432 CarbonylContact O-C 3.53Å; I405-G432 WeakPolarHBondContact O-CA 3.49Å; I405-I433 HydrophobicContact CB-CG1 4.17Å; I405-I433 PolarHBondContact N-O 3.42Å; I405-I433 PolarHBondContact O-N 3.27Å; I405-V435 HydrophobicContact CD1-CG2 3.7Å
406T92.9Very high91Very high30 Ų3036.9 Ų36.918%0.18420%0.199CC..EExtended strand (participates in β ladder)trans-113.8153.1173.348.80000111.4N389 I391N389-T406 PolarHBondContact N-O 2.96Å; N389-T406 PolarHBondContact O-N 3.27Å; I391-T406 HydrophobicContact CD1-CG2 3.5Å; I391-T406 VanDerWaalsContact CD1-CG2 3.5Å; I391-T406 HydrophobicContact CG1-CG2 4.34Å
407F89.1Confident90.9Very high11 Ų1137.5 Ų37.55%0.04820%0.201CC..EExtended strand (participates in β ladder)trans-127.2132-176-49.3-80.9000110.9I387 V388 I405 V409 V414 N431 I433 L454 L458I387-F407 WeakPolarHBondContact O-CA 3.12Å; V388-F407 HydrophobicContact CG1-CD1 4.14Å; V388-F407 HydrophobicContact CG1-CE1 3.89Å; V388-F407 HydrophobicContact CG2-CD1 4.04Å; V388-F407 HydrophobicContact CG2-CE1 4.29Å; I405-F407 HydrophobicContact CB-CZ 4.19Å; I405-F407 HydrophobicContact CG2-CD1 4.44Å; I405-F407 HydrophobicContact CG2-CE1 3.7Å; I405-F407 HydrophobicContact CG2-CE2 4.36Å; I405-F407 HydrophobicContact CG2-CZ 3.64Å; F407-V409 HydrophobicContact CB-CG2 3.79Å; F407-V409 PolarHBondContact O-N 3.42Å; F407-V414 HydrophobicContact CB-CG2 4.17Å; F407-V414 HydrophobicContact CD1-CG2 4.35Å; F407-V414 HydrophobicContact CD2-CB 3.9Å; F407-V414 HydrophobicContact CD2-CG1 4.06Å; F407-V414 HydrophobicContact CD2-CG2 3.93Å; F407-V414 HydrophobicContact CE1-CG1 4.22Å; F407-V414 HydrophobicContact CE2-CB 4Å; F407-V414 HydrophobicContact CE2-CG1 3.71Å; F407-V414 HydrophobicContact CE2-CG2 4.43Å; F407-V414 HydrophobicContact CG-CB 4.34Å; F407-V414 HydrophobicContact CG-CG1 4.45Å; F407-V414 HydrophobicContact CG-CG2 3.89Å; F407-V414 HydrophobicContact CZ-CG1 3.8Å; F407-N431 PolarHBondContact N-O 2.99Å; F407-N431 VanDerWaalsContact N-O 3.13Å; F407-N431 PolarHBondContact O-ND2 3.19Å; F407-I433 HydrophobicContact CE2-CB 4.43Å; F407-I433 HydrophobicContact CE2-CD1 3.89Å; F407-I433 HydrophobicContact CE2-CG1 3.75Å; F407-I433 HydrophobicContact CE2-CG2 4.12Å; F407-I433 HydrophobicContact CZ-CD1 3.67Å; F407-I433 HydrophobicContact CZ-CG1 3.89Å; F407-L454 HydrophobicContact CE1-CD1 3.77Å; F407-L454 HydrophobicContact CE1-CD2 4.26Å; F407-L454 HydrophobicContact CZ-CD1 3.97Å; F407-L458 HydrophobicContact CD1-CD1 4.48Å; F407-L458 HydrophobicContact CD1-CD2 4.2Å
408S84.2Confident90.8Very high76 Ų7633.1 Ų33.153%0.53118%0.181SC..EExtended strand (participates in β ladder)trans-96.172.8168-56.80000109.8I387I387-S408 PolarHBondContact O-N 3.27Å
409V77.3Confident90.7Very high11 Ų1131.4 Ų31.47%0.06717%0.173CC..  trans-127.2104.5176.1-72.30000110P386 F407 N411 V414 L458P386-V409 HydrophobicContact CB-CG1 3.3Å; P386-V409 HydrophobicContact CG-CG1 4.48Å; F407-V409 HydrophobicContact CB-CG2 3.79Å; F407-V409 PolarHBondContact O-N 3.42Å; V409-N411 VanDerWaalsContact C-N 3.3Å; V409-N411 PolarHBondContact O-N 3.45Å; V409-V414 HydrophobicContact CG2-CG2 3.63Å; V409-L458 HydrophobicContact CG1-CD2 3.93Å; V409-L458 HydrophobicContact CG2-CD2 4.47Å
410P69.5Low90.7Very high127 Ų12734.8 Ų34.883%0.82519%0.187SC*.THydrogen-bonded Turntrans-65.1-31.7-175.3-22.632.9000114
411N69.6Low90.7Very high111 Ų11137 Ų3759%0.59420%0.195SC*.THydrogen-bonded Turntrans-104.26.8-164.7-61.8-19.1000114.1V409V409-N411 VanDerWaalsContact C-N 3.3Å; V409-N411 PolarHBondContact O-N 3.45Å
412K75.9Confident90.7Very high44 Ų4437 Ų3719%0.19120%0.195CC..  trans-141.7135.7179.2-75.3-156.7-175.6173.60113.9V414 I457 S460 A461K412-V414 PolarHBondContact O-N 3.5Å; K412-I457 HydrophobicContact CD-CG2 4.36Å; K412-I457 PolarHBondContact NZ-O 3.41Å; K412-S460 WeakPolarHBondContact CE-O 3.19Å; K412-S460 PolarHBondContact NZ-O 3.41Å; K412-A461 HydrophobicContact CD-CB 3.78Å; K412-A461 HydrophobicContact CG-CB 3.97Å
413D89.2Confident90.6Very high36 Ų3637 Ų3719%0.19320%0.196CC..  trans-85.593.4164-168.2-27.9000109F415 Q416 E417 K427D413-F415 PolarHBondContact O-N 3.13Å; D413-F415 WeakPolarHBondContact OD1-CB 3.37Å; D413-F415 PolarHBondContact OD1-N 2.92Å; D413-Q416 HydrophobicContact CB-CB 4.04Å; D413-Q416 HydrophobicContact CB-CG 4.08Å; D413-Q416 PolarHBondContact O-N 3.31Å; D413-Q416 PolarHBondContact OD1-N 3.37Å; D413-Q416 WeakPolarHBondContact OD2-CG 3.46Å; D413-E417 PolarHBondContact O-N 2.87Å; D413-E417 VanDerWaalsContact O-N 3.16Å; D413-K427 IonicContact OD1-NZ 2.58Å; D413-K427 PolarHBondContact OD1-NZ 3.07Å; D413-K427 IonicContact OD2-NZ 2.8Å; D413-K427 PolarHBondContact OD2-NZ 3.17Å
414V91.8Very high90.6Very high0 Ų038.3 Ų38.30%020%0.203CC..Hα-helixtrans-57.8-35.6-177178.10000111.4F407 V409 K412 E417 L418 L454 L458F407-V414 HydrophobicContact CB-CG2 4.17Å; F407-V414 HydrophobicContact CD1-CG2 4.35Å; F407-V414 HydrophobicContact CD2-CB 3.9Å; F407-V414 HydrophobicContact CD2-CG1 4.06Å; F407-V414 HydrophobicContact CD2-CG2 3.93Å; F407-V414 HydrophobicContact CE1-CG1 4.22Å; F407-V414 HydrophobicContact CE2-CB 4Å; F407-V414 HydrophobicContact CE2-CG1 3.71Å; F407-V414 HydrophobicContact CE2-CG2 4.43Å; F407-V414 HydrophobicContact CG-CB 4.34Å; F407-V414 HydrophobicContact CG-CG1 4.45Å; F407-V414 HydrophobicContact CG-CG2 3.89Å; F407-V414 HydrophobicContact CZ-CG1 3.8Å; V409-V414 HydrophobicContact CG2-CG2 3.63Å; K412-V414 PolarHBondContact O-N 3.5Å; V414-E417 PolarHBondContact O-N 2.95Å; V414-L418 HydrophobicContact CG1-CD1 3.9Å; V414-L418 HydrophobicContact CG1-CG 4.36Å; V414-L418 WeakPolarHBondContact O-CB 3.41Å; V414-L418 VanDerWaalsContact O-CG 3.25Å; V414-L418 WeakPolarHBondContact O-CG 3.3Å; V414-L418 PolarHBondContact O-N 3.15Å; V414-L454 HydrophobicContact CG1-CD1 3.62Å; V414-L458 HydrophobicContact CG2-CD2 3.96Å
415F94.1Very high90.6Very high35 Ų3538.7 Ų38.715%0.15421%0.206CC..Hα-helixtrans-63.4-48.9178.1170.3-94.9000111.5D413 E417 L418 E419 K427 I433D413-F415 PolarHBondContact O-N 3.13Å; D413-F415 WeakPolarHBondContact OD1-CB 3.37Å; D413-F415 PolarHBondContact OD1-N 2.92Å; F415-E417 VanDerWaalsContact C-N 3.29Å; F415-E417 PolarHBondContact O-N 2.9Å; F415-L418 WeakPolarHBondContact O-CB 3.23Å; F415-L418 PolarHBondContact O-N 3.38Å; F415-L418 VanDerWaalsContact O-N 3.17Å; F415-E419 HydrophobicContact CE1-CG 4.48Å; F415-E419 WeakPolarHBondContact CE1-OE2 3.46Å; F415-E419 PolarHBondContact O-N 3Å; F415-K427 HydrophobicContact CB-CB 4.2Å; F415-K427 HydrophobicContact CB-CD 4.01Å; F415-K427 HydrophobicContact CB-CG 4.05Å; F415-K427 HydrophobicContact CD1-CB 3.89Å; F415-K427 HydrophobicContact CD1-CD 3.78Å; F415-K427 HydrophobicContact CD1-CG 4.25Å; F415-K427 HydrophobicContact CD2-CB 3.66Å; F415-K427 HydrophobicContact CD2-CG 4.44Å; F415-K427 HydrophobicContact CE1-CB 4.18Å; F415-K427 HydrophobicContact CE2-CB 3.95Å; F415-K427 HydrophobicContact CG-CB 3.62Å; F415-K427 HydrophobicContact CG-CD 3.95Å; F415-K427 HydrophobicContact CG-CG 3.98Å; F415-K427 HydrophobicContact CZ-CB 4.2Å; F415-I433 HydrophobicContact CB-CG2 3.94Å; F415-I433 HydrophobicContact CD2-CG2 4.2Å
416Q94.6Very high90.4Very high90 Ų9040.1 Ų40.142%0.42121%0.214SC..Hα-helixtrans-61.4-39.1179.6-73.5-177.8-10.600112.1D413 L418 E419 K420D413-Q416 HydrophobicContact CB-CB 4.04Å; D413-Q416 HydrophobicContact CB-CG 4.08Å; D413-Q416 PolarHBondContact O-N 3.31Å; D413-Q416 PolarHBondContact OD1-N 3.37Å; D413-Q416 WeakPolarHBondContact OD2-CG 3.46Å; Q416-L418 VanDerWaalsContact C-N 3.33Å; Q416-L418 PolarHBondContact O-N 3.08Å; Q416-E419 WeakPolarHBondContact O-CG 3.25Å; Q416-K420 VanDerWaalsContact O-CG 3.24Å; Q416-K420 WeakPolarHBondContact O-CG 3.37Å; Q416-K420 PolarHBondContact O-N 3.17Å; Q416-K420 VanDerWaalsContact O-N 3.17Å
417E95.4Very high90.2Very high36 Ų3641.6 Ų41.617%0.16822%0.218CC..Hα-helixtrans-70-30.6178.3-70.1-57.6118.100113.1D413 V414 F415 K420 R421 I457D413-E417 PolarHBondContact O-N 2.87Å; D413-E417 VanDerWaalsContact O-N 3.16Å; V414-E417 PolarHBondContact O-N 2.95Å; F415-E417 VanDerWaalsContact C-N 3.29Å; F415-E417 PolarHBondContact O-N 2.9Å; E417-K420 IonicContact OE1-NZ 3.32Å; E417-K420 PolarHBondContact OE1-NZ 3.07Å; E417-R421 PolarHBondContact O-NH1 3.29Å; E417-R421 IonicContact OE2-CZ 3.02Å; E417-R421 IonicContact OE2-NH1 2.67Å; E417-R421 PolarHBondContact OE2-NH1 3.24Å; E417-R421 IonicContact OE2-NH2 2.73Å; E417-R421 PolarHBondContact OE2-NH2 3.11Å; E417-I457 HydrophobicContact CB-CB 4.48Å; E417-I457 HydrophobicContact CB-CD1 3.78Å; E417-I457 HydrophobicContact CB-CG1 3.92Å; E417-I457 HydrophobicContact CB-CG2 3.71Å; E417-I457 HydrophobicContact CG-CG2 4.21Å
418L96.9Very high89.9Confident0 Ų044.4 Ų44.40%023%0.228CC..Hα-helixtrans-71.1-47.2174.2-76.3169.4000111.8V414 F415 Q416 K420 R421 G422 V423 I433 F450 I457V414-L418 HydrophobicContact CG1-CD1 3.9Å; V414-L418 HydrophobicContact CG1-CG 4.36Å; V414-L418 WeakPolarHBondContact O-CB 3.41Å; V414-L418 VanDerWaalsContact O-CG 3.25Å; V414-L418 WeakPolarHBondContact O-CG 3.3Å; V414-L418 PolarHBondContact O-N 3.15Å; F415-L418 WeakPolarHBondContact O-CB 3.23Å; F415-L418 PolarHBondContact O-N 3.38Å; F415-L418 VanDerWaalsContact O-N 3.17Å; Q416-L418 VanDerWaalsContact C-N 3.33Å; Q416-L418 PolarHBondContact O-N 3.08Å; L418-K420 VanDerWaalsContact C-N 3.33Å; L418-K420 PolarHBondContact O-N 3.03Å; L418-R421 CarbonylContact O-C 3.52Å; L418-R421 PolarHBondContact O-N 3.43Å; L418-G422 PolarHBondContact O-N 3.46Å; L418-V423 HydrophobicContact CB-CB 4.04Å; L418-V423 HydrophobicContact CB-CG1 4.34Å; L418-V423 HydrophobicContact CD2-CB 4.33Å; L418-V423 HydrophobicContact CD2-CG1 4.43Å; L418-V423 HydrophobicContact CD2-CG2 4.05Å; L418-V423 WeakPolarHBondContact O-CB 3.07Å; L418-V423 PolarHBondContact O-N 3.4Å; L418-V423 VanDerWaalsContact O-N 3.15Å; L418-I433 HydrophobicContact CD1-CD1 3.62Å; L418-F450 HydrophobicContact CD1-CE2 4.11Å; L418-F450 HydrophobicContact CD2-CD2 4.37Å; L418-F450 HydrophobicContact CD2-CE2 4Å; L418-I457 HydrophobicContact CD2-CD1 3.69Å; L418-I457 HydrophobicContact CG-CD1 3.84Å
419E97.3Very high89.1Confident49 Ų4947 Ų4723%0.22924%0.236CC..Hα-helixtrans-66.2-35.4-178.568.9179.6162.700112.4P56 V57 F415 Q416 R421 G422 V423P56-E419 HydrophobicContact CB-CB 4.22Å; P56-E419 HydrophobicContact CB-CG 3.85Å; P56-E419 HydrophobicContact CG-CB 3.83Å; P56-E419 HydrophobicContact CG-CG 4.04Å; V57-E419 WeakPolarHBondContact CG2-O 3.21Å; F415-E419 HydrophobicContact CE1-CG 4.48Å; F415-E419 WeakPolarHBondContact CE1-OE2 3.46Å; F415-E419 PolarHBondContact O-N 3Å; Q416-E419 WeakPolarHBondContact O-CG 3.25Å; E419-R421 PolarHBondContact O-N 3.37Å; E419-R421 VanDerWaalsContact O-N 3.14Å; E419-G422 PolarHBondContact O-N 3.34Å; E419-G422 VanDerWaalsContact O-N 3.08Å; E419-V423 WeakPolarHBondContact CA-O 3.4Å
420K98.1Very high88.6Confident71 Ų7152.2 Ų52.231%0.30927%0.27SS..THydrogen-bonded Turntrans-56.8-28.3171.5-75.9173.4-169.3172.50113P56 D58 L61 Q416 E417 L418P56-K420 WeakPolarHBondContact O-CA 3.2Å; D58-K420 HydrophobicContact CB-CB 4.25Å; D58-K420 HydrophobicContact CB-CG 4.47Å; D58-K420 PolarHBondContact N-O 3.49Å; L61-K420 HydrophobicContact CD1-CB 4.33Å; Q416-K420 VanDerWaalsContact O-CG 3.24Å; Q416-K420 WeakPolarHBondContact O-CG 3.37Å; Q416-K420 PolarHBondContact O-N 3.17Å; Q416-K420 VanDerWaalsContact O-N 3.17Å; E417-K420 IonicContact OE1-NZ 3.32Å; E417-K420 PolarHBondContact OE1-NZ 3.07Å; L418-K420 VanDerWaalsContact C-N 3.33Å; L418-K420 PolarHBondContact O-N 3.03Å
421R98.3Very high88.7Confident48 Ų4848 Ų4818%0.18124%0.24CC..THydrogen-bonded Turntrans-100.814.2-177.9-67.9171.9179.476-1.9113.2L61 V62 E417 L418 E419 L453L61-R421 HydrophobicContact CB-CG 4.14Å; L61-R421 HydrophobicContact CD1-CG 4.22Å; V62-R421 HydrophobicContact CG1-CB 4.48Å; E417-R421 PolarHBondContact O-NH1 3.29Å; E417-R421 IonicContact OE2-CZ 3.02Å; E417-R421 IonicContact OE2-NH1 2.67Å; E417-R421 PolarHBondContact OE2-NH1 3.24Å; E417-R421 IonicContact OE2-NH2 2.73Å; E417-R421 PolarHBondContact OE2-NH2 3.11Å; L418-R421 CarbonylContact O-C 3.52Å; L418-R421 PolarHBondContact O-N 3.43Å; E419-R421 PolarHBondContact O-N 3.37Å; E419-R421 VanDerWaalsContact O-N 3.14Å; R421-L453 HydrophobicContact CB-CD1 4.34Å; R421-L453 HydrophobicContact CB-CD2 4.49Å
422G98.1Very high89.3Confident0 Ų042.8 Ų42.80%021%0.213CC..THydrogen-bonded Turntrans82.916.4172.900000115.3I69 L418 E419I69-G422 PolarHBondContact N-O 2.84Å; I69-G422 VanDerWaalsContact N-O 3.11Å; L418-G422 PolarHBondContact O-N 3.46Å; E419-G422 PolarHBondContact O-N 3.34Å; E419-G422 VanDerWaalsContact O-N 3.08Å
423V98.6Very high90.2Very high2 Ų240.8 Ų40.81%0.01221%0.205CC..EExtended strand (participates in β ladder)trans-88.3122170.7178.10000109.3I69 L418 E419 C425 F450 L453I69-V423 HydrophobicContact CB-CG2 4.17Å; I69-V423 HydrophobicContact CD1-CG2 4.12Å; I69-V423 HydrophobicContact CG2-CG2 4.48Å; L418-V423 HydrophobicContact CB-CB 4.04Å; L418-V423 HydrophobicContact CB-CG1 4.34Å; L418-V423 HydrophobicContact CD2-CB 4.33Å; L418-V423 HydrophobicContact CD2-CG1 4.43Å; L418-V423 HydrophobicContact CD2-CG2 4.05Å; L418-V423 WeakPolarHBondContact O-CB 3.07Å; L418-V423 PolarHBondContact O-N 3.4Å; L418-V423 VanDerWaalsContact O-N 3.15Å; E419-V423 WeakPolarHBondContact CA-O 3.4Å; V423-C425 HydrophobicContact CG1-CB 4.49Å; V423-F450 HydrophobicContact CG1-CD2 3.75Å; V423-F450 HydrophobicContact CG1-CE2 3.94Å; V423-F450 HydrophobicContact CG2-CD2 4.25Å; V423-L453 HydrophobicContact CG2-CD1 3.79Å
424V98.7Very high90.6Very high27 Ų2739.3 Ų39.316%0.16420%0.196CC..EExtended strand (participates in β ladder)trans-101.4109.7177-170.30000109.1L54 A68 I69 Y70 F71 L72L54-V424 HydrophobicContact CD1-CG2 3.71Å; L54-V424 HydrophobicContact CD2-CG2 3.96Å; A68-V424 HydrophobicContact CB-CG2 4.45Å; I69-V424 PolarHBondContact O-N 2.78Å; Y70-V424 HydrophobicContact CD2-CB 3.72Å; Y70-V424 HydrophobicContact CD2-CG1 3.9Å; Y70-V424 HydrophobicContact CD2-CG2 3.87Å; Y70-V424 HydrophobicContact CE2-CB 4.06Å; Y70-V424 HydrophobicContact CE2-CG1 3.68Å; Y70-V424 HydrophobicContact CE2-CG2 4.35Å; Y70-V424 HydrophobicContact CG-CB 4.39Å; F71-V424 CarbonylContact C-O 3.49Å; F71-V424 WeakPolarHBondContact CA-O 3.24Å; F71-V424 PolarHBondContact N-O 2.96Å; L72-V424 HydrophobicContact CB-CG1 3.94Å; L72-V424 HydrophobicContact CD2-CG1 3.81Å; L72-V424 PolarHBondContact N-O 3.36Å
425C97.2Very high90.9Very high8 Ų839.3 Ų39.35%0.05420%0.196CC..  trans-142.9-174.2179.267.80000110.3V423 R434 V435V423-C425 HydrophobicContact CG1-CB 4.49Å; C425-R434 WeakPolarHBondContact CB-O 3.39Å; C425-V435 HydrophobicContact CB-CG1 3.73Å
426D90.9Very high91.1Very high31 Ų3137.6 Ų37.617%0.16619%0.189CC..EExtended strand (participates in β ladder)trans-118.3134.8-179.6-157.2-14.1000111.8L72 R428 I433 R434L72-D426 HydrophobicContact CD1-CB 3.74Å; D426-R428 IonicContact OD1-CZ 3.81Å; D426-R428 IonicContact OD1-NH1 3.36Å; D426-R428 PolarHBondContact OD1-NH1 3.41Å; D426-R428 IonicContact OD1-NH2 2.76Å; D426-R428 IonicContact OD2-CZ 2.73Å; D426-R428 VanDerWaalsContact OD2-CZ 3.26Å; D426-R428 IonicContact OD2-NH1 2.73Å; D426-R428 PolarHBondContact OD2-NH1 3.08Å; D426-R428 IonicContact OD2-NH2 3.51Å; D426-R428 PolarHBondContact OD2-NH2 3.25Å; D426-I433 CarbonylContact O-C 3.44Å; D426-I433 VanDerWaalsContact O-CA 3.26Å; D426-I433 WeakPolarHBondContact O-CA 3.49Å; D426-R434 HydrophobicContact CB-CB 4.31Å; D426-R434 PolarHBondContact N-O 2.96Å; D426-R434 PolarHBondContact O-N 3.47Å; D426-R434 IonicContact OD2-CZ 3.57Å; D426-R434 IonicContact OD2-NE 3.2Å; D426-R434 IonicContact OD2-NH2 2.73Å; D426-R434 PolarHBondContact OD2-NH2 3.14Å
427K90Very high91.3Very high61 Ų6133.3 Ų33.327%0.26517%0.169SC..EExtended strand (participates in β ladder)trans-87.1138.8176-170.3174.8177.6174.90111.3D413 F415D413-K427 IonicContact OD1-NZ 2.58Å; D413-K427 PolarHBondContact OD1-NZ 3.07Å; D413-K427 IonicContact OD2-NZ 2.8Å; D413-K427 PolarHBondContact OD2-NZ 3.17Å; F415-K427 HydrophobicContact CB-CB 4.2Å; F415-K427 HydrophobicContact CB-CD 4.01Å; F415-K427 HydrophobicContact CB-CG 4.05Å; F415-K427 HydrophobicContact CD1-CB 3.89Å; F415-K427 HydrophobicContact CD1-CD 3.78Å; F415-K427 HydrophobicContact CD1-CG 4.25Å; F415-K427 HydrophobicContact CD2-CB 3.66Å; F415-K427 HydrophobicContact CD2-CG 4.44Å; F415-K427 HydrophobicContact CE1-CB 4.18Å; F415-K427 HydrophobicContact CE2-CB 3.95Å; F415-K427 HydrophobicContact CG-CB 3.62Å; F415-K427 HydrophobicContact CG-CD 3.95Å; F415-K427 HydrophobicContact CG-CG 3.98Å; F415-K427 HydrophobicContact CZ-CB 4.2Å
428R81.3Confident91.5Very high69 Ų6931.9 Ų31.926%0.2616%0.162SC..EExtended strand (participates in β ladder)trans-133.8129169.2-69.8-72.4178.8-84.1-3.7110.2Y226 D426 G432 R434Y226-R428 HydrophobicContact CD2-CB 3.95Å; Y226-R428 HydrophobicContact CD2-CG 3.74Å; Y226-R428 HydrophobicContact CE2-CB 3.48Å; Y226-R428 VanDerWaalsContact CE2-CB 3.48Å; Y226-R428 HydrophobicContact CE2-CG 3.83Å; D426-R428 IonicContact OD1-CZ 3.81Å; D426-R428 IonicContact OD1-NH1 3.36Å; D426-R428 PolarHBondContact OD1-NH1 3.41Å; D426-R428 IonicContact OD1-NH2 2.76Å; D426-R428 IonicContact OD2-CZ 2.73Å; D426-R428 VanDerWaalsContact OD2-CZ 3.26Å; D426-R428 IonicContact OD2-NH1 2.73Å; D426-R428 PolarHBondContact OD2-NH1 3.08Å; D426-R428 IonicContact OD2-NH2 3.51Å; D426-R428 PolarHBondContact OD2-NH2 3.25Å; R428-G432 PolarHBondContact N-O 3.27Å; R428-G432 PolarHBondContact O-N 3.16Å; R428-R434 HydrophobicContact CG-CG 4.39Å
429N69.1Low91.6Very high130 Ų13032.4 Ų32.470%0.69517%0.166SC*.THydrogen-bonded Turntrans-65.2148.3178.1-68-25.8000110.5
430P65.6Low91.7Very high121 Ų12130.4 Ų30.479%0.78616%0.157SC*.THydrogen-bonded Turncis-81.5-33.5529.3-32.8000115.4
431N71.6Confident91.7Very high39 Ų3927.1 Ų27.121%0.20914%0.142CC..THydrogen-bonded Turntrans-156.651.6-178.6-149.214.7000113F407F407-N431 PolarHBondContact N-O 2.99Å; F407-N431 VanDerWaalsContact N-O 3.13Å; F407-N431 PolarHBondContact O-ND2 3.19Å
432G82.1Confident91.7Very high2 Ų225.1 Ų25.12%0.02114%0.135CC..EExtended strand (participates in β ladder)trans-122.7156.4-179.900000114.1I405 R428I405-G432 CarbonylContact O-C 3.53Å; I405-G432 WeakPolarHBondContact O-CA 3.49Å; R428-G432 PolarHBondContact N-O 3.27Å; R428-G432 PolarHBondContact O-N 3.16Å
433I95.1Very high91.8Very high2 Ų225.3 Ų25.31%0.0114%0.136CC..EExtended strand (participates in β ladder)trans-120.5152.117166.2179.9000110.7T404 I405 F407 F415 L418 D426 V435 F450T404-I433 WeakPolarHBondContact CA-O 3.24Å; I405-I433 HydrophobicContact CB-CG1 4.17Å; I405-I433 PolarHBondContact N-O 3.42Å; I405-I433 PolarHBondContact O-N 3.27Å; F407-I433 HydrophobicContact CE2-CB 4.43Å; F407-I433 HydrophobicContact CE2-CD1 3.89Å; F407-I433 HydrophobicContact CE2-CG1 3.75Å; F407-I433 HydrophobicContact CE2-CG2 4.12Å; F407-I433 HydrophobicContact CZ-CD1 3.67Å; F407-I433 HydrophobicContact CZ-CG1 3.89Å; F415-I433 HydrophobicContact CB-CG2 3.94Å; F415-I433 HydrophobicContact CD2-CG2 4.2Å; L418-I433 HydrophobicContact CD1-CD1 3.62Å; D426-I433 CarbonylContact O-C 3.44Å; D426-I433 VanDerWaalsContact O-CA 3.26Å; D426-I433 WeakPolarHBondContact O-CA 3.49Å; I433-V435 HydrophobicContact CD1-CG1 4.08Å; I433-V435 HydrophobicContact CG1-CG1 4.44Å; I433-F450 HydrophobicContact CD1-CE2 4.44Å; I433-F450 HydrophobicContact CD1-CZ 4.02Å
434R97.6Very high91.8Very high4 Ų425.4 Ų25.42%0.01514%0.137CC..EExtended strand (participates in β ladder)trans-110.7123.7166.1-55.8-171.2-59.1144.63.8109F225 Q402 T404 C425 D426 R428F225-R434 WeakPolarHBondContact O-CD 3.37Å; F225-R434 PolarHBondContact O-NH1 3.41Å; Q402-R434 HydrophobicContact CG-CB 4.38Å; T404-R434 HydrophobicContact CG2-CG 4.17Å; C425-R434 WeakPolarHBondContact CB-O 3.39Å; D426-R434 HydrophobicContact CB-CB 4.31Å; D426-R434 PolarHBondContact N-O 2.96Å; D426-R434 PolarHBondContact O-N 3.47Å; D426-R434 IonicContact OD2-CZ 3.57Å; D426-R434 IonicContact OD2-NE 3.2Å; D426-R434 IonicContact OD2-NH2 2.73Å; D426-R434 PolarHBondContact OD2-NH2 3.14Å; R428-R434 HydrophobicContact CG-CG 4.39Å
435V98.6Very high91.8Very high0 Ų026 Ų260%014%0.138CC..EExtended strand (participates in β ladder)trans-123.2130.9175.1-70.90000109.3F71 L368 Q402 L403 I405 C425 I433 F450F71-V435 HydrophobicContact CB-CB 4.07Å; F71-V435 HydrophobicContact CB-CG1 4.25Å; F71-V435 HydrophobicContact CD2-CB 3.94Å; F71-V435 HydrophobicContact CD2-CG1 4.1Å; F71-V435 HydrophobicContact CG-CB 4.45Å; L368-V435 HydrophobicContact CD2-CG2 3.86Å; Q402-V435 CarbonylContact C-O 3.31Å; Q402-V435 WeakPolarHBondContact CA-O 3.37Å; L403-V435 HydrophobicContact CB-CG2 4.4Å; L403-V435 PolarHBondContact N-O 3.43Å; L403-V435 PolarHBondContact O-N 3Å; I405-V435 HydrophobicContact CD1-CG2 3.7Å; C425-V435 HydrophobicContact CB-CG1 3.73Å; I433-V435 HydrophobicContact CD1-CG1 4.08Å; I433-V435 HydrophobicContact CG1-CG1 4.44Å; V435-F450 HydrophobicContact CG1-CE2 3.88Å; V435-F450 HydrophobicContact CG1-CZ 3.84Å; V435-F450 HydrophobicContact CG2-CZ 4.44Å
436A98.8Very high91.9Very high0 Ų026.5 Ų26.50%014%0.14CC..BIsolated β-bridgetrans-132.484.2-179.100000110.4F71 N74 C401 Q402 V438F71-A436 PolarHBondContact O-N 2.86Å; N74-A436 HydrophobicContact CB-CB 3.6Å; N74-A436 VanDerWaalsContact CG-CB 3.44Å; C401-A436 HydrophobicContact CB-CB 4.36Å; Q402-A436 HydrophobicContact CB-CB 4.07Å; A436-V438 WeakPolarHBondContact O-CG1 3.44Å; A436-V438 PolarHBondContact O-N 3.41Å
437P98.9Very high92.3Very high0 Ų025 Ų250%013%0.132CC..  trans-65.4115.2170.528.3-34.9000109.7F71 L364 L368 N442 V447F71-P437 HydrophobicContact CD1-CB 4Å; F71-P437 HydrophobicContact CE1-CB 3.7Å; F71-P437 HydrophobicContact CZ-CB 4Å; L364-P437 HydrophobicContact CD2-CB 3.86Å; L364-P437 HydrophobicContact CG-CB 4.01Å; L364-P437 HydrophobicContact CG-CG 4.37Å; L368-P437 HydrophobicContact CD2-CG 4Å; P437-N442 WeakPolarHBondContact CA-OD1 3.42Å; P437-N442 HydrophobicContact CB-CB 4.26Å; P437-V447 HydrophobicContact CB-CG2 4.07Å; P437-V447 HydrophobicContact CG-CG2 4.3Å
438V98.9Very high92.7Very high6 Ų624 Ų244%0.03613%0.127CC..  trans-99.7142.4-177.1-56.80000112.3Y277 C401 A436 L440 Y441 N442Y277-V438 HydrophobicContact CD1-CG1 3.72Å; Y277-V438 HydrophobicContact CE1-CG1 3.62Å; C401-V438 HydrophobicContact CB-CG1 4.33Å; A436-V438 WeakPolarHBondContact O-CG1 3.44Å; A436-V438 PolarHBondContact O-N 3.41Å; V438-L440 VanDerWaalsContact C-N 3.29Å; V438-L440 PolarHBondContact O-N 2.96Å; V438-Y441 HydrophobicContact CG2-CD1 4.01Å; V438-Y441 HydrophobicContact CG2-CD2 3.67Å; V438-Y441 HydrophobicContact CG2-CE1 3.57Å; V438-Y441 HydrophobicContact CG2-CE2 3.19Å; V438-Y441 HydrophobicContact CG2-CG 4.08Å; V438-N442 WeakPolarHBondContact CG2-OD1 3.43Å; V438-N442 PolarHBondContact N-OD1 2.71Å; V438-N442 WeakPolarHBondContact O-CB 3.5Å; V438-N442 PolarHBondContact O-N 2.82Å
439P98.9Very high93.5Very high11 Ų1123.8 Ų23.87%0.07113%0.128CC..THydrogen-bonded Turntrans-68.2-21.7-170.625.7-36.5000115L357 K360L357-P439 HydrophobicContact CB-CB 4.45Å; L357-P439 HydrophobicContact CB-CG 3.85Å; L357-P439 HydrophobicContact CD2-CB 3.94Å; L357-P439 HydrophobicContact CD2-CG 3.76Å; L357-P439 HydrophobicContact CG-CG 4.42Å; L357-P439 WeakPolarHBondContact O-CB 3.46Å; L357-P439 WeakPolarHBondContact O-CG 3.25Å; K360-P439 HydrophobicContact CB-CB 3.79Å; K360-P439 HydrophobicContact CD-CB 3.69Å; K360-P439 WeakPolarHBondContact CD-O 3.49Å; K360-P439 WeakPolarHBondContact CE-O 3.47Å; K360-P439 HydrophobicContact CG-CB 3.76Å; K360-P439 PolarHBondContact NZ-O 3.07Å
440L98.9Very high94.9Very high7 Ų717.6 Ų17.64%0.03710%0.095CC..THydrogen-bonded Turntrans-68.2-39.5-178.4-80.3169.6000113.2F42 R43 F46 I348 F349 A352 L357 V438F42-L440 CarbonylContact C-O 3.55Å; F42-L440 VanDerWaalsContact C-O 3.31Å; F42-L440 HydrophobicContact CB-CD2 4.34Å; F42-L440 WeakPolarHBondContact CB-O 3.29Å; F42-L440 HydrophobicContact CG-CD2 4.49Å; R43-L440 PolarHBondContact N-O 2.96Å; F46-L440 HydrophobicContact CE2-CB 3.94Å; F46-L440 HydrophobicContact CE2-CD2 4.47Å; F46-L440 HydrophobicContact CZ-CB 4.14Å; F46-L440 HydrophobicContact CZ-CD1 4.02Å; F46-L440 HydrophobicContact CZ-CG 4.48Å; I348-L440 HydrophobicContact CG2-CD2 3.63Å; F349-L440 HydrophobicContact CD2-CD1 4.39Å; F349-L440 HydrophobicContact CE1-CD1 4.25Å; F349-L440 HydrophobicContact CE2-CD1 3.69Å; F349-L440 HydrophobicContact CZ-CD1 3.6Å; A352-L440 HydrophobicContact CB-CD2 4.09Å; L357-L440 HydrophobicContact CD1-CD2 4.42Å; L357-L440 HydrophobicContact CD1-CG 4.49Å; L357-L440 HydrophobicContact CD2-CD2 3.64Å; L357-L440 HydrophobicContact CD2-CG 3.69Å; V438-L440 VanDerWaalsContact C-N 3.29Å; V438-L440 PolarHBondContact O-N 2.96Å
441Y98.9Very high96.5Very high2 Ų212 Ų121%0.0086%0.058CC..THydrogen-bonded Turntrans-143.4-1.1-168.654.3-110.5000115R43 F46 Y70 G73 L78 V438R43-Y441 WeakPolarHBondContact CD-O 3.49Å; R43-Y441 WeakPolarHBondContact CG-O 3.36Å; F46-Y441 AromaticContact CD1-CD1 3.84Å; F46-Y441 HydrophobicContact CD1-CD1 3.84Å; F46-Y441 HydrophobicContact CD1-CE1 4.27Å; F46-Y441 AromaticContact CD2-CD1 3.86Å; F46-Y441 HydrophobicContact CD2-CD1 3.86Å; F46-Y441 HydrophobicContact CD2-CG 4.31Å; F46-Y441 AromaticContact CE1-CD1 3.95Å; F46-Y441 HydrophobicContact CE1-CD1 3.95Å; F46-Y441 HydrophobicContact CE1-CE1 4.24Å; F46-Y441 AromaticContact CE2-CD1 3.98Å; F46-Y441 HydrophobicContact CE2-CD1 3.98Å; F46-Y441 AromaticContact CG-CD1 3.8Å; F46-Y441 HydrophobicContact CG-CD1 3.8Å; F46-Y441 HydrophobicContact CG-CG 4.31Å; F46-Y441 HydrophobicContact CZ-CD1 4.03Å; Y70-Y441 HydrophobicContact CD1-CE2 4.35Å; G73-Y441 WeakPolarHBondContact CA-OH 3.46Å; L78-Y441 HydrophobicContact CB-CD1 4.32Å; L78-Y441 HydrophobicContact CB-CE1 3.95Å; L78-Y441 HydrophobicContact CB-CE2 4.33Å; L78-Y441 HydrophobicContact CD1-CD1 4.5Å; L78-Y441 HydrophobicContact CD1-CD2 3.59Å; L78-Y441 HydrophobicContact CD1-CE2 3.62Å; L78-Y441 HydrophobicContact CD1-CG 4.03Å; L78-Y441 HydrophobicContact CG-CD2 4.22Å; L78-Y441 HydrophobicContact CG-CE1 4.3Å; L78-Y441 HydrophobicContact CG-CE2 3.77Å; L78-Y441 PolarHBondContact N-OH 3.13Å; V438-Y441 HydrophobicContact CG2-CD1 4.01Å; V438-Y441 HydrophobicContact CG2-CD2 3.67Å; V438-Y441 HydrophobicContact CG2-CE1 3.57Å; V438-Y441 HydrophobicContact CG2-CE2 3.19Å; V438-Y441 HydrophobicContact CG2-CG 4.08Å
442N98.9Very high97.7Very high5 Ų513.5 Ų13.53%0.0277%0.066CC..  trans-96150166-60.8123.1000111.2Y70 F71 K360 L364 P437 V438 D446Y70-N442 PolarHBondContact O-ND2 3.46Å; Y70-N442 PolarHBondContact O-OD1 2.94Å; F71-N442 HydrophobicContact CE1-CB 4.19Å; K360-N442 WeakPolarHBondContact CE-O 3.37Å; K360-N442 PolarHBondContact NZ-O 3.37Å; L364-N442 HydrophobicContact CD2-CB 4.26Å; P437-N442 WeakPolarHBondContact CA-OD1 3.42Å; P437-N442 HydrophobicContact CB-CB 4.26Å; V438-N442 WeakPolarHBondContact CG2-OD1 3.43Å; V438-N442 PolarHBondContact N-OD1 2.71Å; V438-N442 WeakPolarHBondContact O-CB 3.5Å; V438-N442 PolarHBondContact O-N 2.82Å; N442-D446 WeakPolarHBondContact CA-OD2 3.45Å
443S98.9Very high98.4Very high4 Ų415.8 Ų15.83%0.0288%0.077CC..  trans-112.5160.7-17858.40000111.3D34 H445 D446 V447D34-S443 WeakPolarHBondContact OD1-CA 3.49Å; D34-S443 VanDerWaalsContact OD1-CB 3.25Å; D34-S443 WeakPolarHBondContact OD1-CB 3.33Å; D34-S443 WeakPolarHBondContact OD2-CB 3.24Å; S443-H445 PolarHBondContact O-N 2.82Å; S443-D446 PolarHBondContact N-OD2 2.94Å; S443-D446 WeakPolarHBondContact O-CB 3.48Å; S443-D446 PolarHBondContact O-N 3.35Å; S443-D446 PolarHBondContact OG-N 2.98Å; S443-D446 VanDerWaalsContact OG-N 3.09Å; S443-D446 PolarHBondContact OG-OD1 3.22Å; S443-D446 PolarHBondContact OG-OD2 3.13Å; S443-V447 PolarHBondContact O-N 2.73Å
444F98.9Very high98.4Very high5 Ų515.8 Ų15.82%0.0228%0.077CC..Hα-helixtrans-63.9-32.1170.4-66.8-85000110.6A30 L33 D34 L363 L364 Y367 D446 V447 Y448A30-F444 HydrophobicContact CB-CB 4.24Å; L33-F444 HydrophobicContact CB-CB 3.95Å; L33-F444 HydrophobicContact CB-CD1 3.9Å; L33-F444 HydrophobicContact CB-CD2 3.53Å; L33-F444 HydrophobicContact CB-CE1 4.27Å; L33-F444 HydrophobicContact CB-CE2 3.94Å; L33-F444 HydrophobicContact CB-CG 3.51Å; L33-F444 HydrophobicContact CB-CZ 4.3Å; L33-F444 HydrophobicContact CD1-CD1 3.72Å; L33-F444 HydrophobicContact CD1-CE1 4.06Å; L33-F444 HydrophobicContact CD1-CG 4.15Å; L33-F444 HydrophobicContact CG-CD1 4.41Å; L33-F444 HydrophobicContact CG-CG 4.47Å; D34-F444 WeakPolarHBondContact OD1-CD2 3.32Å; D34-F444 PolarHBondContact OD1-N 3.32Å; D34-F444 PolarHBondContact OD2-N 3.3Å; L363-F444 HydrophobicContact CB-CE1 4.34Å; L363-F444 HydrophobicContact CB-CZ 4.27Å; L363-F444 HydrophobicContact CD2-CE1 4.32Å; L363-F444 HydrophobicContact CD2-CZ 4Å; L363-F444 HydrophobicContact CG-CE1 3.83Å; L363-F444 HydrophobicContact CG-CZ 3.93Å; L364-F444 HydrophobicContact CB-CE1 4.01Å; L364-F444 HydrophobicContact CB-CZ 4.28Å; L364-F444 HydrophobicContact CD1-CB 4.4Å; L364-F444 HydrophobicContact CD1-CD1 3.59Å; L364-F444 HydrophobicContact CD1-CD2 4.37Å; L364-F444 HydrophobicContact CD1-CE1 3.86Å; L364-F444 HydrophobicContact CD1-CG 3.88Å; L364-F444 HydrophobicContact CD1-CZ 4.36Å; Y367-F444 HydrophobicContact CD1-CB 4.4Å; Y367-F444 AromaticContact CD1-CD1 3.96Å; Y367-F444 HydrophobicContact CD1-CD1 3.96Å; Y367-F444 HydrophobicContact CE1-CB 4.46Å; Y367-F444 HydrophobicContact CG-CD1 4.32Å; F444-D446 PolarHBondContact O-N 2.86Å; F444-V447 WeakPolarHBondContact O-CB 3.4Å; F444-V447 PolarHBondContact O-N 3.36Å; F444-Y448 PolarHBondContact O-N 2.83Å
445H98.9Very high98.2Very high39 Ų3916.9 Ų16.918%0.1819%0.085CC..Hα-helixtrans-63.6-36.4172.5-165.3-145.3000113.2E27 L31 D34 S443 V447 Y448 K449E27-H445 IonicContact OE1-CD2 3.24Å; E27-H445 IonicContact OE1-CE1 3.65Å; E27-H445 IonicContact OE1-NE2 3.9Å; E27-H445 PolarHBondContact OE1-NE2 3.47Å; L31-H445 HydrophobicContact CD2-CB 4.49Å; D34-H445 VanDerWaalsContact OD2-CB 3.29Å; D34-H445 WeakPolarHBondContact OD2-CB 3.28Å; D34-H445 PolarHBondContact OD2-N 2.84Å; S443-H445 PolarHBondContact O-N 2.82Å; H445-V447 VanDerWaalsContact C-N 3.28Å; H445-V447 PolarHBondContact O-N 3.49Å; H445-Y448 AromaticContact CD2-CD1 3.97Å; H445-Y448 PolarHBondContact O-N 3.26Å; H445-K449 WeakPolarHBondContact CE1-CE 3.28Å; H445-K449 WeakPolarHBondContact O-CB 3.1Å; H445-K449 WeakPolarHBondContact O-CG 3.43Å; H445-K449 PolarHBondContact O-N 2.94Å
446D98.9Very high97.9Very high18 Ų1819.8 Ų19.810%0.09611%0.105CC..Hα-helixtrans-59.6-41.1172.2-64.4-42.5000111.2I69 F71 N442 S443 F444 F450I69-D446 HydrophobicContact CG2-CB 4.4Å; F71-D446 HydrophobicContact CE1-CB 3.82Å; F71-D446 HydrophobicContact CZ-CB 3.93Å; N442-D446 WeakPolarHBondContact CA-OD2 3.45Å; S443-D446 PolarHBondContact N-OD2 2.94Å; S443-D446 WeakPolarHBondContact O-CB 3.48Å; S443-D446 PolarHBondContact O-N 3.35Å; S443-D446 PolarHBondContact OG-N 2.98Å; S443-D446 VanDerWaalsContact OG-N 3.09Å; S443-D446 PolarHBondContact OG-OD1 3.22Å; S443-D446 PolarHBondContact OG-OD2 3.13Å; F444-D446 PolarHBondContact O-N 2.86Å; D446-F450 VanDerWaalsContact O-CB 3.24Å; D446-F450 WeakPolarHBondContact O-CB 3.39Å; D446-F450 PolarHBondContact O-N 3.04Å
447V98.9Very high97.6Very high0 Ų019.9 Ų19.90%011%0.105CC..Hα-helixtrans-65-45.8176.6168.60000111F71 L364 Y367 L368 L371 P437 S443 F444 H445 F450 T451F71-V447 HydrophobicContact CZ-CG2 3.91Å; L364-V447 HydrophobicContact CD1-CG2 3.67Å; L364-V447 HydrophobicContact CG-CG2 4.2Å; Y367-V447 HydrophobicContact CD1-CB 3.97Å; Y367-V447 HydrophobicContact CD1-CG1 3.5Å; Y367-V447 HydrophobicContact CE1-CB 4.31Å; Y367-V447 HydrophobicContact CE1-CG1 3.95Å; Y367-V447 HydrophobicContact CG-CG1 4.34Å; L368-V447 VanDerWaalsContact CA-CG1 3.46Å; L368-V447 HydrophobicContact CB-CG1 3.63Å; L368-V447 HydrophobicContact CB-CG2 4.31Å; L368-V447 HydrophobicContact CD1-CG1 3.99Å; L368-V447 HydrophobicContact CG-CG1 4.41Å; L371-V447 HydrophobicContact CD1-CG1 4.27Å; P437-V447 HydrophobicContact CB-CG2 4.07Å; P437-V447 HydrophobicContact CG-CG2 4.3Å; S443-V447 PolarHBondContact O-N 2.73Å; F444-V447 WeakPolarHBondContact O-CB 3.4Å; F444-V447 PolarHBondContact O-N 3.36Å; H445-V447 VanDerWaalsContact C-N 3.28Å; H445-V447 PolarHBondContact O-N 3.49Å; V447-F450 PolarHBondContact O-N 3.2Å; V447-T451 WeakPolarHBondContact O-CG2 3.46Å; V447-T451 PolarHBondContact O-N 3.41Å; V447-T451 PolarHBondContact O-OG1 3.36Å
448Y98.9Very high97.1Very high41 Ų4119.9 Ų19.916%0.16111%0.106CC..Hα-helixtrans-58.2-52.1175.1172.9-96000111.3T25 E27 A30 F444 H445 F450 T451 N452T25-Y448 WeakPolarHBondContact O-CE2 3.42Å; E27-Y448 HydrophobicContact CB-CD1 4.27Å; E27-Y448 HydrophobicContact CB-CE1 3.66Å; E27-Y448 HydrophobicContact CB-CE2 3.94Å; E27-Y448 VanDerWaalsContact CB-CZ 3.47Å; E27-Y448 HydrophobicContact CG-CD1 3.84Å; E27-Y448 HydrophobicContact CG-CE1 3.51Å; E27-Y448 HydrophobicContact CG-CG 4.49Å; A30-Y448 HydrophobicContact CB-CG 4.36Å; F444-Y448 PolarHBondContact O-N 2.83Å; H445-Y448 AromaticContact CD2-CD1 3.97Å; H445-Y448 PolarHBondContact O-N 3.26Å; Y448-F450 VanDerWaalsContact C-N 3.35Å; Y448-F450 PolarHBondContact O-N 3.4Å; Y448-T451 PolarHBondContact O-N 3.26Å; Y448-T451 PolarHBondContact O-OG1 3.36Å; Y448-N452 WeakPolarHBondContact CD2-ND2 3.23Å; Y448-N452 WeakPolarHBondContact CE1-ND2 3.03Å; Y448-N452 WeakPolarHBondContact CE2-ND2 3.3Å; Y448-N452 PolarHBondContact O-N 3Å; Y448-N452 PolarHBondContact O-ND2 2.92Å
449K98.8Very high96.4Very high64 Ų6423 Ų2328%0.27812%0.122SC..Hα-helixtrans-57.5-47.1177.8-72.7-173.8175.7-168.60111.6E66 I69 H445 T451 N452 L453E66-K449 IonicContact OE2-NZ 3.4Å; E66-K449 PolarHBondContact OE2-NZ 3.32Å; I69-K449 HydrophobicContact CD1-CB 3.64Å; H445-K449 WeakPolarHBondContact CE1-CE 3.28Å; H445-K449 WeakPolarHBondContact O-CB 3.1Å; H445-K449 WeakPolarHBondContact O-CG 3.43Å; H445-K449 PolarHBondContact O-N 2.94Å; K449-T451 PolarHBondContact O-N 3.14Å; K449-N452 PolarHBondContact O-N 3.27Å; K449-L453 WeakPolarHBondContact O-CG 3.13Å; K449-L453 PolarHBondContact O-N 3.33Å
450F98.8Very high95.4Very high0 Ų025 Ų250%014%0.136CC..Hα-helixtrans-54.9-50.9177.4169.1-99.1000111.9I69 F71 L368 L418 V423 I433 V435 D446 V447 Y448 N452 L453 L454I69-F450 HydrophobicContact CG2-CB 4.17Å; F71-F450 HydrophobicContact CD2-CB 4.46Å; F71-F450 HydrophobicContact CD2-CD2 4.08Å; F71-F450 HydrophobicContact CD2-CG 4.12Å; F71-F450 HydrophobicContact CE2-CB 3.59Å; F71-F450 HydrophobicContact CE2-CD1 4.05Å; F71-F450 HydrophobicContact CE2-CD2 4.02Å; F71-F450 AromaticContact CE2-CG 3.6Å; F71-F450 HydrophobicContact CE2-CG 3.6Å; F71-F450 HydrophobicContact CZ-CB 4.2Å; L368-F450 HydrophobicContact CD1-CD1 3.58Å; L368-F450 HydrophobicContact CD1-CE1 3.72Å; L418-F450 HydrophobicContact CD1-CE2 4.11Å; L418-F450 HydrophobicContact CD2-CD2 4.37Å; L418-F450 HydrophobicContact CD2-CE2 4Å; V423-F450 HydrophobicContact CG1-CD2 3.75Å; V423-F450 HydrophobicContact CG1-CE2 3.94Å; V423-F450 HydrophobicContact CG2-CD2 4.25Å; I433-F450 HydrophobicContact CD1-CE2 4.44Å; I433-F450 HydrophobicContact CD1-CZ 4.02Å; V435-F450 HydrophobicContact CG1-CE2 3.88Å; V435-F450 HydrophobicContact CG1-CZ 3.84Å; V435-F450 HydrophobicContact CG2-CZ 4.44Å; D446-F450 VanDerWaalsContact O-CB 3.24Å; D446-F450 WeakPolarHBondContact O-CB 3.39Å; D446-F450 PolarHBondContact O-N 3.04Å; V447-F450 PolarHBondContact O-N 3.2Å; Y448-F450 VanDerWaalsContact C-N 3.35Å; Y448-F450 PolarHBondContact O-N 3.4Å; F450-N452 VanDerWaalsContact C-N 3.34Å; F450-N452 PolarHBondContact O-N 2.81Å; F450-L453 PolarHBondContact O-N 3.3Å; F450-L454 HydrophobicContact CE1-CD2 4.12Å; F450-L454 HydrophobicContact CZ-CD2 4.23Å; F450-L454 WeakPolarHBondContact O-CB 3.35Å; F450-L454 PolarHBondContact O-N 3.5Å
451T98.1Very high93.7Very high4 Ų425.4 Ų25.43%0.02514%0.141CC..Hα-helixtrans-68-33.3-176.656.70000112.8L368 L371 I372 V447 Y448 K449 L454 T455L368-T451 HydrophobicContact CD1-CG2 3.68Å; L371-T451 HydrophobicContact CB-CG2 3.84Å; L371-T451 HydrophobicContact CD1-CG2 4.02Å; L371-T451 VanDerWaalsContact CD1-OG1 3.25Å; L371-T451 WeakPolarHBondContact CD1-OG1 3.32Å; I372-T451 HydrophobicContact CG1-CG2 4.31Å; V447-T451 WeakPolarHBondContact O-CG2 3.46Å; V447-T451 PolarHBondContact O-N 3.41Å; V447-T451 PolarHBondContact O-OG1 3.36Å; Y448-T451 PolarHBondContact O-N 3.26Å; Y448-T451 PolarHBondContact O-OG1 3.36Å; K449-T451 PolarHBondContact O-N 3.14Å; T451-L454 PolarHBondContact O-N 2.73Å; T451-T455 WeakPolarHBondContact O-CB 3.37Å; T451-T455 PolarHBondContact O-N 3.22Å; T451-T455 PolarHBondContact O-OG1 2.83Å
452N97.6Very high91.8Very high70 Ų7029.1 Ų29.137%0.37416%0.158SC..Hα-helixtrans-67.7-40.9173-78.9-84.8000112.1Y448 K449 F450 T455 S456Y448-N452 WeakPolarHBondContact CD2-ND2 3.23Å; Y448-N452 WeakPolarHBondContact CE1-ND2 3.03Å; Y448-N452 WeakPolarHBondContact CE2-ND2 3.3Å; Y448-N452 PolarHBondContact O-N 3Å; Y448-N452 PolarHBondContact O-ND2 2.92Å; K449-N452 PolarHBondContact O-N 3.27Å; F450-N452 VanDerWaalsContact C-N 3.34Å; F450-N452 PolarHBondContact O-N 2.81Å; N452-T455 PolarHBondContact O-N 3.02Å; N452-S456 PolarHBondContact O-N 3.06Å
453L97Very high89.5Confident49 Ų4934.5 Ų34.526%0.25719%0.191SC..Hα-helixtrans-62.5-47173.4-68175.9000111.1I69 R421 V423 K449 F450 T455 S456 I457I69-L453 HydrophobicContact CD1-CD1 3.9Å; R421-L453 HydrophobicContact CB-CD1 4.34Å; R421-L453 HydrophobicContact CB-CD2 4.49Å; V423-L453 HydrophobicContact CG2-CD1 3.79Å; K449-L453 WeakPolarHBondContact O-CG 3.13Å; K449-L453 PolarHBondContact O-N 3.33Å; F450-L453 PolarHBondContact O-N 3.3Å; L453-T455 PolarHBondContact O-N 2.73Å; L453-S456 PolarHBondContact O-N 2.74Å; L453-I457 WeakPolarHBondContact O-CD1 3.42Å; L453-I457 WeakPolarHBondContact O-CG1 3.4Å; L453-I457 PolarHBondContact O-N 3.05Å
454L95.1Very high86.9Confident2 Ų239 Ų391%0.0122%0.219CC..Hα-helixtrans-56.9-43.4175.417960.8000110.6F407 V414 F450 T451 I457 L458F407-L454 HydrophobicContact CE1-CD1 3.77Å; F407-L454 HydrophobicContact CE1-CD2 4.26Å; F407-L454 HydrophobicContact CZ-CD1 3.97Å; V414-L454 HydrophobicContact CG1-CD1 3.62Å; F450-L454 HydrophobicContact CE1-CD2 4.12Å; F450-L454 HydrophobicContact CZ-CD2 4.23Å; F450-L454 WeakPolarHBondContact O-CB 3.35Å; F450-L454 PolarHBondContact O-N 3.5Å; T451-L454 PolarHBondContact O-N 2.73Å; L454-I457 PolarHBondContact O-N 2.77Å; L454-L458 HydrophobicContact CD1-CD1 3.92Å; L454-L458 HydrophobicContact CD1-CG 4.11Å; L454-L458 HydrophobicContact CG-CD1 3.93Å; L454-L458 HydrophobicContact CG-CG 4.48Å; L454-L458 VanDerWaalsContact O-CG 3.31Å; L454-L458 WeakPolarHBondContact O-CG 3.48Å; L454-L458 PolarHBondContact O-N 3.1Å
455T93.3Very high84Confident27 Ų2748.2 Ų48.217%0.16627%0.268CS..Hα-helixtrans-63.1-49179.1-76.30000112.5N375 Y376 T451 N452 L453 I457 L458 D459N375-T455 PolarHBondContact ND2-OG1 3.39Å; Y376-T455 VanDerWaalsContact CE2-OG1 3.32Å; Y376-T455 WeakPolarHBondContact CE2-OG1 3.46Å; Y376-T455 WeakPolarHBondContact OH-CA 3.22Å; Y376-T455 VanDerWaalsContact OH-CB 3.23Å; Y376-T455 WeakPolarHBondContact OH-CB 3.31Å; Y376-T455 VanDerWaalsContact OH-CG2 3.3Å; Y376-T455 WeakPolarHBondContact OH-CG2 3.07Å; Y376-T455 PolarHBondContact OH-O 3.41Å; Y376-T455 PolarHBondContact OH-OG1 2.88Å; T451-T455 WeakPolarHBondContact O-CB 3.37Å; T451-T455 PolarHBondContact O-N 3.22Å; T451-T455 PolarHBondContact O-OG1 2.83Å; N452-T455 PolarHBondContact O-N 3.02Å; L453-T455 PolarHBondContact O-N 2.73Å; T455-I457 VanDerWaalsContact C-N 3.27Å; T455-I457 PolarHBondContact O-N 3.14Å; T455-L458 PolarHBondContact O-N 3.09Å; T455-D459 WeakPolarHBondContact CG2-OD2 3.28Å; T455-D459 WeakPolarHBondContact O-CB 3.44Å; T455-D459 PolarHBondContact O-N 2.87Å
456S92.6Very high83.3Confident61 Ų6148.7 Ų48.743%0.42727%0.273SS..Hα-helixtrans-57.4-39.2176.2179.30000113N452 L453 S460N452-S456 PolarHBondContact O-N 3.06Å; L453-S456 PolarHBondContact O-N 2.74Å; S456-S460 VanDerWaalsContact O-CB 3.28Å; S456-S460 WeakPolarHBondContact O-CB 3.37Å; S456-S460 PolarHBondContact O-N 3.07Å; S456-S460 VanDerWaalsContact O-N 3.14Å; S456-S460 PolarHBondContact O-OG 2.63Å
457I91.9Very high82.5Confident2 Ų250.3 Ų50.31%0.0128%0.282CS..Hα-helixtrans-64.9-46.9178.4-70164000111.1K412 E417 L418 L453 L454 T455K412-I457 HydrophobicContact CD-CG2 4.36Å; K412-I457 PolarHBondContact NZ-O 3.41Å; E417-I457 HydrophobicContact CB-CB 4.48Å; E417-I457 HydrophobicContact CB-CD1 3.78Å; E417-I457 HydrophobicContact CB-CG1 3.92Å; E417-I457 HydrophobicContact CB-CG2 3.71Å; E417-I457 HydrophobicContact CG-CG2 4.21Å; L418-I457 HydrophobicContact CD2-CD1 3.69Å; L418-I457 HydrophobicContact CG-CD1 3.84Å; L453-I457 WeakPolarHBondContact O-CD1 3.42Å; L453-I457 WeakPolarHBondContact O-CG1 3.4Å; L453-I457 PolarHBondContact O-N 3.05Å; L454-I457 PolarHBondContact O-N 2.77Å; T455-I457 VanDerWaalsContact C-N 3.27Å; T455-I457 PolarHBondContact O-N 3.14Å
458L88.6Confident81.6Confident1 Ų153.1 Ų53.11%0.00530%0.298CS..Hα-helixtrans-69.2-45.1-177.9-70.2176000111.7Y376 P386 V388 F407 V409 V414 L454 T455 S460 A461Y376-L458 HydrophobicContact CD1-CD1 4.3Å; Y376-L458 HydrophobicContact CD2-CD1 4.26Å; Y376-L458 HydrophobicContact CE1-CB 4.23Å; Y376-L458 HydrophobicContact CE1-CD1 3.86Å; Y376-L458 HydrophobicContact CE2-CD1 3.78Å; P386-L458 HydrophobicContact CB-CD2 4.27Å; P386-L458 HydrophobicContact CG-CB 3.97Å; P386-L458 HydrophobicContact CG-CD2 4.46Å; V388-L458 HydrophobicContact CG2-CD1 3.64Å; F407-L458 HydrophobicContact CD1-CD1 4.48Å; F407-L458 HydrophobicContact CD1-CD2 4.2Å; V409-L458 HydrophobicContact CG1-CD2 3.93Å; V409-L458 HydrophobicContact CG2-CD2 4.47Å; V414-L458 HydrophobicContact CG2-CD2 3.96Å; L454-L458 HydrophobicContact CD1-CD1 3.92Å; L454-L458 HydrophobicContact CD1-CG 4.11Å; L454-L458 HydrophobicContact CG-CD1 3.93Å; L454-L458 HydrophobicContact CG-CG 4.48Å; L454-L458 VanDerWaalsContact O-CG 3.31Å; L454-L458 WeakPolarHBondContact O-CG 3.48Å; L454-L458 PolarHBondContact O-N 3.1Å; T455-L458 PolarHBondContact O-N 3.09Å; L458-S460 VanDerWaalsContact C-N 3.32Å; L458-S460 PolarHBondContact O-N 3.47Å; L458-A461 WeakPolarHBondContact O-CB 2.93Å; L458-A461 PolarHBondContact O-N 2.9Å
459D84.6Confident80.6Confident70 Ų7053.8 Ų53.837%0.37431%0.306SS..Hα-helixtrans-65.3-37.9-179.7-62.6-0.9000111.1Y376 T455 A461 E462Y376-D459 PolarHBondContact OH-OD1 2.97Å; Y376-D459 VanDerWaalsContact OH-OD1 3.13Å; T455-D459 WeakPolarHBondContact CG2-OD2 3.28Å; T455-D459 WeakPolarHBondContact O-CB 3.44Å; T455-D459 PolarHBondContact O-N 2.87Å; D459-A461 PolarHBondContact O-N 2.98Å; D459-A461 VanDerWaalsContact O-N 3.1Å; D459-E462 WeakPolarHBondContact O-CB 3.46Å; D459-E462 PolarHBondContact O-N 3.02Å; D459-E462 VanDerWaalsContact O-N 3.09Å
460S77Confident79.4Confident54 Ų5453.2 Ų53.238%0.37831%0.308SS..Hα-helixtrans-69.4-5.2174.9-570000113.3K412 S456 L458 T463 T464K412-S460 WeakPolarHBondContact CE-O 3.19Å; K412-S460 PolarHBondContact NZ-O 3.41Å; S456-S460 VanDerWaalsContact O-CB 3.28Å; S456-S460 WeakPolarHBondContact O-CB 3.37Å; S456-S460 PolarHBondContact O-N 3.07Å; S456-S460 VanDerWaalsContact O-N 3.14Å; S456-S460 PolarHBondContact O-OG 2.63Å; L458-S460 VanDerWaalsContact C-N 3.32Å; L458-S460 PolarHBondContact O-N 3.47Å; S460-T463 PolarHBondContact O-OG1 3.3Å; S460-T464 PolarHBondContact O-OG1 3.5Å
461A64.1Low78.1Confident16 Ų1656.7 Ų56.713%0.13233%0.328CS..Hα-helixtrans-84.3-27.2171.800000111.7K412 L458 D459 T464K412-A461 HydrophobicContact CD-CB 3.78Å; K412-A461 HydrophobicContact CG-CB 3.97Å; L458-A461 WeakPolarHBondContact O-CB 2.93Å; L458-A461 PolarHBondContact O-N 2.9Å; D459-A461 PolarHBondContact O-N 2.98Å; D459-A461 VanDerWaalsContact O-N 3.1Å; A461-T464 PolarHBondContact O-OG1 2.95Å
462E57.8Low76.7Confident80 Ų8060.5 Ų60.537%0.37435%0.35SS..Hα-helixtrans-70.6-32.2179.5-61.3-178.1169.900112K385 P386 D459 T464K385-E462 WeakPolarHBondContact CA-OE1 3.5Å; P386-E462 WeakPolarHBondContact CD-OE1 3.33Å; D459-E462 WeakPolarHBondContact O-CB 3.46Å; D459-E462 PolarHBondContact O-N 3.02Å; D459-E462 VanDerWaalsContact O-N 3.09Å; E462-T464 VanDerWaalsContact C-N 3.32Å; E462-T464 PolarHBondContact O-N 3.35Å
463T51.2Low75.1Confident117 Ų11759.8 Ų59.872%0.71835%0.348SS*.THydrogen-bonded Turntrans-81.70.9-174.350.50000115.6S460S460-T463 PolarHBondContact O-OG1 3.3Å
464T45Very low73.3Confident100 Ų10060.7 Ų60.761%0.61336%0.356SS*.THydrogen-bonded Turntrans-103.114.5-173.75.10000114.6S460 A461 E462S460-T464 PolarHBondContact O-OG1 3.5Å; A461-T464 PolarHBondContact O-OG1 2.95Å; E462-T464 VanDerWaalsContact C-N 3.32Å; E462-T464 PolarHBondContact O-N 3.35Å
465N38.2Very low71.3Confident198 Ų19866 Ų66100%1.05939%0.387SS*.  trans-89.80175.2-81.5-15.8000113

Retrieved 465 of 465 residues in 477.2 ms (Link to these results)

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