A0A087X9N3_POEFO Loading...

Ankyrin repeat and EF-hand domain containing 1a

AlphaFold DB , UniProt , Accession A0A087X9N3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 590 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
1M88.2Confident90.9Very high66 Ų6661.6 Ų61.633%0.32535%0.353SS..  0-55.60-62.4-175.7-165.700112.1A3 A4 K5 T24 D26 A32 Y35M1-A3 VanDerWaalsContact C-N 3.33Å; M1-A3 PolarHBondContact O-N 3.38Å; M1-A4 WeakPolarHBondContact O-CA 2.86Å; M1-A4 WeakPolarHBondContact O-CB 3.25Å; M1-A4 PolarHBondContact O-N 3.19Å; M1-K5 PolarHBondContact O-N 3.34Å; M1-T24 WeakPolarHBondContact CE-O 3.26Å; M1-T24 WeakPolarHBondContact CE-OG1 3.36Å; M1-D26 HydrophobicContact SD-CB 4.04Å; M1-A32 HydrophobicContact CG-CB 4.41Å; M1-Y35 HydrophobicContact CB-CD2 3.89Å; M1-Y35 HydrophobicContact CB-CE2 3.99Å; M1-Y35 HydrophobicContact CG-CD2 4.27Å; M1-Y35 HydrophobicContact CG-CE2 4.28Å; M1-Y35 HydrophobicContact SD-CD2 4.41Å; M1-Y35 HydrophobicContact SD-CE2 3.88Å
2E90.2Very high91.1Very high115 Ų11557.2 Ų57.254%0.53733%0.327SS..Hα-helixtrans-56.8-40.4178.2-69.6-56.613600114.3A4 K5 T6E2-A4 PolarHBondContact O-N 3.3Å; E2-K5 WeakPolarHBondContact O-CB 3.37Å; E2-K5 PolarHBondContact O-N 3.1Å; E2-T6 WeakPolarHBondContact O-CG2 3.32Å; E2-T6 PolarHBondContact O-N 3.26Å; E2-T6 PolarHBondContact O-OG1 3.34Å
3A92.1Very high91.2Very high17 Ų1758.8 Ų58.814%0.1433%0.325CS..Hα-helixtrans-60.8-32.9173.600000113M1 T6 G7 S8 V11 V12 I15M1-A3 VanDerWaalsContact C-N 3.33Å; M1-A3 PolarHBondContact O-N 3.38Å; A3-T6 WeakPolarHBondContact CA-OG1 3.44Å; A3-T6 PolarHBondContact O-OG1 3.12Å; A3-G7 PolarHBondContact O-N 3.48Å; A3-S8 PolarHBondContact O-N 2.97Å; A3-S8 VanDerWaalsContact O-N 3.1Å; A3-V11 HydrophobicContact CB-CB 4.38Å; A3-V11 HydrophobicContact CB-CG1 3.84Å; A3-V12 HydrophobicContact CB-CG2 3.71Å; A3-I15 HydrophobicContact CB-CD1 4.09Å
4A91.1Very high91.2Very high2 Ų261.9 Ų61.92%0.01734%0.336CS..Hα-helixtrans-77.5-36.1176.600000111.9M1 E2 T6 G7 V12 A32 A36 S39 V44M1-A4 WeakPolarHBondContact O-CA 2.86Å; M1-A4 WeakPolarHBondContact O-CB 3.25Å; M1-A4 PolarHBondContact O-N 3.19Å; E2-A4 PolarHBondContact O-N 3.3Å; A4-T6 VanDerWaalsContact C-N 3.35Å; A4-G7 PolarHBondContact O-N 3.36Å; A4-V12 HydrophobicContact CB-CG2 4.48Å; A4-A32 HydrophobicContact CB-CB 4.33Å; A4-A36 HydrophobicContact CB-CB 4.31Å; A4-S39 PolarHBondContact O-OG 2.98Å; A4-V44 HydrophobicContact CB-CG1 4.01Å
5K90.5Very high91.4Very high101 Ų10163.5 Ų63.544%0.43934%0.343SS..Hα-helixtrans-62.1-40.8173.5-171.5-178.5176.7-174.70112.1M1 E2 G7 Y35 S39M1-K5 PolarHBondContact O-N 3.34Å; E2-K5 WeakPolarHBondContact O-CB 3.37Å; E2-K5 PolarHBondContact O-N 3.1Å; K5-G7 VanDerWaalsContact C-N 3.33Å; K5-Y35 HydrophobicContact CB-CD1 4.21Å; K5-Y35 HydrophobicContact CB-CG 4.31Å; K5-Y35 HydrophobicContact CD-CD1 4.08Å; K5-Y35 HydrophobicContact CD-CE1 4.44Å; K5-Y35 HydrophobicContact CG-CD1 4.12Å; K5-S39 VanDerWaalsContact O-CB 3.24Å; K5-S39 WeakPolarHBondContact O-CB 3.28Å
6T90.4Very high91.4Very high104 Ų10460.4 Ų60.464%0.63833%0.326SS*.Hα-helixtrans-77.3-17.1176.352.60000113.5E2 A3 A4E2-T6 WeakPolarHBondContact O-CG2 3.32Å; E2-T6 PolarHBondContact O-N 3.26Å; E2-T6 PolarHBondContact O-OG1 3.34Å; A3-T6 WeakPolarHBondContact CA-OG1 3.44Å; A3-T6 PolarHBondContact O-OG1 3.12Å; A4-T6 VanDerWaalsContact C-N 3.35Å
7G89.3Confident91.2Very high22 Ų2262.9 Ų62.923%0.22733%0.33CS..THydrogen-bonded Turntrans79.515.7-179.400000114.8A3 A4 K5 L9 C41A3-G7 PolarHBondContact O-N 3.48Å; A4-G7 PolarHBondContact O-N 3.36Å; K5-G7 VanDerWaalsContact C-N 3.33Å; G7-L9 PolarHBondContact O-N 3.03Å; G7-C41 WeakPolarHBondContact CA-SG 3.38Å
8S91.6Very high91.1Very high42 Ų4271.4 Ų71.429%0.29436%0.357SS..  trans-78.191.5-176.6-173.90000112.1A3 V11 V12A3-S8 PolarHBondContact O-N 2.97Å; A3-S8 VanDerWaalsContact O-N 3.1Å; S8-V11 PolarHBondContact O-N 3.48Å; S8-V11 VanDerWaalsContact OG-CG2 3.31Å; S8-V11 WeakPolarHBondContact OG-CG2 3.31Å; S8-V12 WeakPolarHBondContact O-CG2 3.49Å; S8-V12 PolarHBondContact O-N 2.86Å
9L90.9Very high90.9Very high50 Ų5071.1 Ų71.126%0.26237%0.374SS..Hα-helixtrans-53.7-46.5-179.6-170.573.5000113.9G7 V11 V12 R13 E43 V44 V47G7-L9 PolarHBondContact O-N 3.03Å; L9-V11 VanDerWaalsContact C-N 3.34Å; L9-V11 PolarHBondContact O-N 3.46Å; L9-V12 PolarHBondContact O-N 3.1Å; L9-R13 WeakPolarHBondContact O-CB 3.32Å; L9-R13 PolarHBondContact O-N 2.82Å; L9-E43 HydrophobicContact CD1-CB 4.16Å; L9-V44 HydrophobicContact CD1-CG2 4.31Å; L9-V47 HydrophobicContact CD1-CB 4.47Å; L9-V47 HydrophobicContact CD1-CG2 3.65Å
10P92.4Very high90.8Very high89 Ų8968.9 Ų68.958%0.57837%0.368SS*.Hα-helixtrans-63.9-40.3-177.6-21.134.2000112.2Q14P10-Q14 VanDerWaalsContact O-CG 3.31Å; P10-Q14 WeakPolarHBondContact O-CG 3.4Å; P10-Q14 PolarHBondContact O-N 3.42Å; P10-Q14 VanDerWaalsContact O-N 3.09Å
11V93.5Very high90.7Very high70 Ų7070.1 Ų70.142%0.42438%0.375SS..Hα-helixtrans-69.5-43.9-179.31780000110.4A3 S8 L9 R13 Q14 I15A3-V11 HydrophobicContact CB-CB 4.38Å; A3-V11 HydrophobicContact CB-CG1 3.84Å; S8-V11 PolarHBondContact O-N 3.48Å; S8-V11 VanDerWaalsContact OG-CG2 3.31Å; S8-V11 WeakPolarHBondContact OG-CG2 3.31Å; L9-V11 VanDerWaalsContact C-N 3.34Å; L9-V11 PolarHBondContact O-N 3.46Å; V11-R13 PolarHBondContact O-N 3.3Å; V11-Q14 PolarHBondContact O-N 3.47Å; V11-I15 HydrophobicContact CG1-CD1 3.77Å; V11-I15 HydrophobicContact CG1-CG1 4.42Å; V11-I15 VanDerWaalsContact O-CG1 3.3Å; V11-I15 WeakPolarHBondContact O-CG1 3.29Å; V11-I15 PolarHBondContact O-N 3.08Å
12V92.8Very high90.8Very high8 Ų867.6 Ų67.65%0.04836%0.363CS..Hα-helixtrans-58.2-47.5176.2172.70000110.9A3 A4 S8 L9 Q14 I15 L16 V44 L48A3-V12 HydrophobicContact CB-CG2 3.71Å; A4-V12 HydrophobicContact CB-CG2 4.48Å; S8-V12 WeakPolarHBondContact O-CG2 3.49Å; S8-V12 PolarHBondContact O-N 2.86Å; L9-V12 PolarHBondContact O-N 3.1Å; V12-Q14 PolarHBondContact O-N 3.4Å; V12-I15 PolarHBondContact O-N 3.5Å; V12-L16 HydrophobicContact CG1-CD1 3.7Å; V12-L16 HydrophobicContact CG1-CG 4.38Å; V12-L16 VanDerWaalsContact O-CG 3.31Å; V12-L16 WeakPolarHBondContact O-CG 3.46Å; V12-L16 PolarHBondContact O-N 3.17Å; V12-V44 HydrophobicContact CG1-CG1 4.33Å; V12-V44 HydrophobicContact CG2-CG1 4.22Å; V12-L48 HydrophobicContact CG1-CD2 4.47Å
13R92.4Very high90.9Very high78 Ų7864.9 Ų64.929%0.29435%0.353SS..Hα-helixtrans-60-43.8178.4-177.5-178.5-73.8153.8-7.9112.3L9 V11 L16 R17 E147L9-R13 WeakPolarHBondContact O-CB 3.32Å; L9-R13 PolarHBondContact O-N 2.82Å; V11-R13 PolarHBondContact O-N 3.3Å; R13-L16 PolarHBondContact O-N 2.86Å; R13-R17 HydrophobicContact CG-CG 4.46Å; R13-R17 WeakPolarHBondContact O-CB 3.43Å; R13-R17 VanDerWaalsContact O-CG 3.3Å; R13-R17 WeakPolarHBondContact O-CG 3.34Å; R13-R17 PolarHBondContact O-N 3.31Å; R13-E147 WeakPolarHBondContact CD-OE1 3.29Å; R13-E147 IonicContact CZ-OE1 2.69Å; R13-E147 IonicContact CZ-OE2 2.64Å; R13-E147 IonicContact NE-OE1 3.16Å; R13-E147 PolarHBondContact NE-OE1 3.3Å; R13-E147 IonicContact NE-OE2 3.84Å; R13-E147 IonicContact NH2-OE1 2.96Å; R13-E147 PolarHBondContact NH2-OE1 3.3Å; R13-E147 IonicContact NH2-OE2 3.67Å; R13-E147 PolarHBondContact NH2-OE2 2.95Å
14Q91.9Very high90.8Very high102 Ų10267.2 Ų67.248%0.47737%0.366SS..Hα-helixtrans-66.3-39179.5-72-62.6-26.800112.6P10 V11 V12 R18P10-Q14 VanDerWaalsContact O-CG 3.31Å; P10-Q14 WeakPolarHBondContact O-CG 3.4Å; P10-Q14 PolarHBondContact O-N 3.42Å; P10-Q14 VanDerWaalsContact O-N 3.09Å; V11-Q14 PolarHBondContact O-N 3.47Å; V12-Q14 PolarHBondContact O-N 3.4Å; Q14-R18 WeakPolarHBondContact O-CG 3.45Å; Q14-R18 PolarHBondContact O-N 3.26Å; Q14-R18 VanDerWaalsContact O-N 3.15Å
15I93.1Very high90.9Very high86 Ų8672 Ų7244%0.44139%0.39SS..Hα-helixtrans-64.1-46.2176.3-68.1166.9000110.5A3 V11 V12 R18 G20A3-I15 HydrophobicContact CB-CD1 4.09Å; V11-I15 HydrophobicContact CG1-CD1 3.77Å; V11-I15 HydrophobicContact CG1-CG1 4.42Å; V11-I15 VanDerWaalsContact O-CG1 3.3Å; V11-I15 WeakPolarHBondContact O-CG1 3.29Å; V11-I15 PolarHBondContact O-N 3.08Å; V12-I15 PolarHBondContact O-N 3.5Å; I15-R18 PolarHBondContact O-N 2.98Å; I15-G20 PolarHBondContact O-N 2.89Å
16L91.2Very high90.8Very high14 Ų1470.1 Ų70.17%0.07339%0.385CS..Hα-helixtrans-65.8-41.8-179.6-66169.6000111.7V12 R13 R18 G19 G20 P22 V47 L48 F51V12-L16 HydrophobicContact CG1-CD1 3.7Å; V12-L16 HydrophobicContact CG1-CG 4.38Å; V12-L16 VanDerWaalsContact O-CG 3.31Å; V12-L16 WeakPolarHBondContact O-CG 3.46Å; V12-L16 PolarHBondContact O-N 3.17Å; R13-L16 PolarHBondContact O-N 2.86Å; L16-R18 PolarHBondContact O-N 3.48Å; L16-G19 PolarHBondContact O-N 2.93Å; L16-G20 WeakPolarHBondContact CD2-O 3.44Å; L16-P22 HydrophobicContact CD2-CB 4.03Å; L16-P22 HydrophobicContact CD2-CG 4.41Å; L16-V47 HydrophobicContact CD1-CG1 3.85Å; L16-L48 HydrophobicContact CD1-CD2 4.01Å; L16-L48 HydrophobicContact CD2-CD2 4.41Å; L16-F51 HydrophobicContact CB-CD1 3.82Å; L16-F51 HydrophobicContact CB-CD2 3.76Å; L16-F51 HydrophobicContact CB-CE1 3.78Å; L16-F51 HydrophobicContact CB-CE2 3.74Å; L16-F51 HydrophobicContact CB-CG 3.81Å; L16-F51 HydrophobicContact CB-CZ 3.75Å; L16-F51 HydrophobicContact CD1-CB 4.28Å; L16-F51 HydrophobicContact CD1-CD2 3.45Å; L16-F51 VanDerWaalsContact CD1-CD2 3.45Å; L16-F51 HydrophobicContact CD1-CE2 3.93Å; L16-F51 HydrophobicContact CD1-CG 3.94Å; L16-F51 HydrophobicContact CD2-CB 4.28Å; L16-F51 HydrophobicContact CD2-CG 4.35Å; L16-F51 HydrophobicContact CG-CD2 4.13Å; L16-F51 HydrophobicContact CG-CE2 4.47Å; L16-F51 HydrophobicContact CG-CG 4.24Å
17R88.7Confident90.8Very high104 Ų10474 Ų7439%0.39240%0.396SS..Hα-helixtrans-62.6-26.6174.8-75-177.8179.2-139.7-6.5113.5R13 G19 F51 E151R13-R17 HydrophobicContact CG-CG 4.46Å; R13-R17 WeakPolarHBondContact O-CB 3.43Å; R13-R17 VanDerWaalsContact O-CG 3.3Å; R13-R17 WeakPolarHBondContact O-CG 3.34Å; R13-R17 PolarHBondContact O-N 3.31Å; R17-G19 PolarHBondContact O-N 3.09Å; R17-F51 HydrophobicContact CG-CZ 4.11Å; R17-E151 IonicContact CZ-OE1 3.81Å; R17-E151 VanDerWaalsContact CZ-OE1 3.24Å; R17-E151 IonicContact NH1-OE1 3.64Å; R17-E151 PolarHBondContact NH1-OE1 3.3Å; R17-E151 IonicContact NH2-OE1 3.74Å; R17-E151 PolarHBondContact NH2-OE1 2.83Å; R17-E151 IonicContact NH2-OE2 2.64Å
18R90Very high90.7Very high215 Ų21577.3 Ų77.381%0.81141%0.408SS*.THydrogen-bonded Turntrans-84.19174-71.3-177.2179.8-134.51113.5Q14 I15 L16Q14-R18 WeakPolarHBondContact O-CG 3.45Å; Q14-R18 PolarHBondContact O-N 3.26Å; Q14-R18 VanDerWaalsContact O-N 3.15Å; I15-R18 PolarHBondContact O-N 2.98Å; L16-R18 PolarHBondContact O-N 3.48Å
19G86.9Confident90.6Very high66 Ų6675.9 Ų75.968%0.6840%0.401SS*.THydrogen-bonded Turntrans8818.9178.900000114.4L16 R17 N21L16-G19 PolarHBondContact O-N 2.93Å; R17-G19 PolarHBondContact O-N 3.09Å; G19-N21 PolarHBondContact O-N 3.18Å
20G88.7Confident90.5Very high26 Ų2675.4 Ų75.427%0.26840%0.395SS..  trans-63123.4172.500000111.2I15 L16 P22I15-G20 PolarHBondContact O-N 2.89Å; L16-G20 WeakPolarHBondContact CD2-O 3.44Å; G20-P22 WeakPolarHBondContact O-CD 3.39Å
21N89.8Confident90.5Very high96 Ų9671.1 Ų71.151%0.51337%0.368SS..  trans-75.7118.6178.8-179.6-2.7000110.6G19 N23 T24G19-N21 PolarHBondContact O-N 3.18Å; N21-N23 VanDerWaalsContact C-N 3.26Å; N21-N23 PolarHBondContact O-N 3.4Å; N21-N23 WeakPolarHBondContact OD1-CB 3.49Å; N21-N23 PolarHBondContact OD1-N 3.26Å; N21-T24 HydrophobicContact CB-CG2 4.01Å; N21-T24 WeakPolarHBondContact O-CG2 3.37Å; N21-T24 PolarHBondContact O-OG1 2.94Å
22P89.8Confident90.5Very high12 Ų1268.1 Ų68.18%0.07835%0.35CS..THydrogen-bonded Turntrans-72.8-1918029.7-34.6000113.5L16 G20 N31 L48 F51 A53L16-P22 HydrophobicContact CD2-CB 4.03Å; L16-P22 HydrophobicContact CD2-CG 4.41Å; G20-P22 WeakPolarHBondContact O-CD 3.39Å; P22-N31 PolarHBondContact O-OD1 2.99Å; P22-L48 HydrophobicContact CB-CD2 3.95Å; P22-F51 HydrophobicContact CG-CB 4.45Å; P22-F51 WeakPolarHBondContact CG-O 3.39Å; P22-A53 HydrophobicContact CB-CB 3.76Å; P22-A53 HydrophobicContact CG-CB 4.03Å
23N90.9Very high90.6Very high59 Ų5967.8 Ų67.832%0.31635%0.348SS..THydrogen-bonded Turntrans-92.36.6-174.5-64.3-36.3000113.8N21 A52 A53 D54N21-N23 VanDerWaalsContact C-N 3.26Å; N21-N23 PolarHBondContact O-N 3.4Å; N21-N23 WeakPolarHBondContact OD1-CB 3.49Å; N21-N23 PolarHBondContact OD1-N 3.26Å; N23-A52 PolarHBondContact ND2-O 3.37Å; N23-A52 VanDerWaalsContact ND2-O 3.15Å; N23-A53 VanDerWaalsContact OD1-CA 3.29Å; N23-A53 WeakPolarHBondContact OD1-CA 3.49Å; N23-D54 PolarHBondContact OD1-N 3.29Å
24T91Very high90.6Very high66 Ų6664.1 Ų64.141%0.40533%0.334SS..  trans-56141.5168.953.50000110M1 N21M1-T24 WeakPolarHBondContact CE-O 3.26Å; M1-T24 WeakPolarHBondContact CE-OG1 3.36Å; N21-T24 HydrophobicContact CB-CG2 4.01Å; N21-T24 WeakPolarHBondContact O-CG2 3.37Å; N21-T24 PolarHBondContact O-OG1 2.94Å
25L92.1Very high90.7Very high102 Ų10260.5 Ų60.553%0.53432%0.317SS..  trans-111.7138.2177.2-58.3178.2000109.7Y30 N31 V57L25-Y30 WeakPolarHBondContact CA-O 3.39Å; L25-N31 HydrophobicContact CD2-CB 3.92Å; L25-V57 HydrophobicContact CD2-CG1 3.69Å
26D90.3Very high90.7Very high62 Ų6256.4 Ų56.433%0.33230%0.296SS..  trans-75171.6169.8-169.922.6000110.9M1 N28 G29 Y30 Y35M1-D26 HydrophobicContact SD-CB 4.04Å; D26-N28 PolarHBondContact O-N 2.87Å; D26-G29 WeakPolarHBondContact O-CA 3.47Å; D26-G29 PolarHBondContact O-N 2.97Å; D26-Y30 PolarHBondContact N-O 3.39Å; D26-Y35 PolarHBondContact OD2-OH 2.8Å
27Q89.9Confident90.8Very high185 Ų18555.8 Ų55.886%0.86429%0.292SS*.THydrogen-bonded Turntrans-53.6-30.1176.6-61.9-178.70.300112.7
28N86.6Confident90.9Very high91 Ų9154.9 Ų54.949%0.48730%0.295SS..THydrogen-bonded Turntrans-91.87.6178.6-63.5-39.5000113.6D26 Y30 M60D26-N28 PolarHBondContact O-N 2.87Å; N28-Y30 VanDerWaalsContact C-N 3.35Å; N28-Y30 HydrophobicContact CB-CD2 3.53Å; N28-Y30 HydrophobicContact CB-CE2 3.7Å; N28-Y30 WeakPolarHBondContact O-CD2 3.12Å; N28-M60 WeakPolarHBondContact O-CG 3.21Å; N28-M60 PolarHBondContact O-N 3.14Å
29G89Confident90.8Very high13 Ų1346.9 Ų46.913%0.13427%0.272CS..SBendtrans7617.3-17800000114.5D26D26-G29 WeakPolarHBondContact O-CA 3.47Å; D26-G29 PolarHBondContact O-N 2.97Å
30Y90.3Very high90.8Very high39 Ų3944.7 Ų44.715%0.15325%0.249CC..  trans-83136.2178-73.9-106.8000111L25 D26 N28 H34 Y35 N59 Y68L25-Y30 WeakPolarHBondContact CA-O 3.39Å; D26-Y30 PolarHBondContact N-O 3.39Å; N28-Y30 VanDerWaalsContact C-N 3.35Å; N28-Y30 HydrophobicContact CB-CD2 3.53Å; N28-Y30 HydrophobicContact CB-CE2 3.7Å; N28-Y30 WeakPolarHBondContact O-CD2 3.12Å; Y30-H34 HydrophobicContact CD1-CB 3.69Å; Y30-H34 HydrophobicContact CE1-CB 4.48Å; Y30-H34 HydrophobicContact CG-CB 4.49Å; Y30-Y35 HydrophobicContact CD1-CE1 4.4Å; Y30-Y35 HydrophobicContact CD1-CE2 4.5Å; Y30-Y35 HydrophobicContact CG-CE2 4.31Å; Y30-N59 HydrophobicContact CD2-CB 4.29Å; Y30-N59 HydrophobicContact CE2-CB 4.31Å; Y30-N59 PolarHBondContact OH-ND2 2.99Å; Y30-Y68 HydrophobicContact CE1-CE1 4.39Å; Y30-Y68 HydrophobicContact CE1-CE2 4.05Å; Y30-Y68 AromaticContact CE1-CZ 3.75Å; Y30-Y68 PolarHBondContact OH-OH 3.21Å
31N92.6Very high90.9Very high0 Ų045 Ų450%025%0.247CC..  trans-102.5157.6171.8147.44.6000108.9P22 L25 V33 H34 Y35 D54 V57P22-N31 PolarHBondContact O-OD1 2.99Å; L25-N31 HydrophobicContact CD2-CB 3.92Å; N31-V33 PolarHBondContact O-N 2.94Å; N31-V33 VanDerWaalsContact O-N 3.12Å; N31-V33 WeakPolarHBondContact OD1-CG2 3.5Å; N31-V33 PolarHBondContact OD1-N 3.45Å; N31-H34 PolarHBondContact N-ND1 3.32Å; N31-H34 WeakPolarHBondContact O-CB 3.21Å; N31-H34 PolarHBondContact O-N 3.23Å; N31-Y35 WeakPolarHBondContact O-CD2 3.38Å; N31-Y35 PolarHBondContact O-N 2.92Å; N31-D54 PolarHBondContact ND2-O 3.14Å; N31-V57 HydrophobicContact CB-CG1 4.38Å
32A93Very high90.9Very high7 Ų740.9 Ų40.96%0.05823%0.225CC..Hα-helixtrans-43.4-38.5169.500000115.1M1 A4 H34 Y35 A36 L48M1-A32 HydrophobicContact CG-CB 4.41Å; A4-A32 HydrophobicContact CB-CB 4.33Å; A32-H34 PolarHBondContact O-N 3.17Å; A32-Y35 PolarHBondContact O-N 2.92Å; A32-A36 WeakPolarHBondContact O-CB 3.33Å; A32-A36 PolarHBondContact O-N 3Å; A32-L48 HydrophobicContact CB-CD1 4.12Å; A32-L48 HydrophobicContact CB-CD2 4.08Å
33V94Very high90.9Very high0 Ų045.7 Ų45.70%025%0.246CC..Hα-helixtrans-63.1-37.5176.2-177.70000111.7N31 A36 A37 L48 A53 M55 P65 L81N31-V33 PolarHBondContact O-N 2.94Å; N31-V33 VanDerWaalsContact O-N 3.12Å; N31-V33 WeakPolarHBondContact OD1-CG2 3.5Å; N31-V33 PolarHBondContact OD1-N 3.45Å; V33-A36 PolarHBondContact O-N 3.18Å; V33-A37 VanDerWaalsContact O-CB 3.25Å; V33-A37 WeakPolarHBondContact O-CB 3.09Å; V33-A37 PolarHBondContact O-N 2.82Å; V33-L48 HydrophobicContact CG2-CB 4.27Å; V33-L48 HydrophobicContact CG2-CD1 4.01Å; V33-A53 HydrophobicContact CG2-CB 3.79Å; V33-M55 HydrophobicContact CB-SD 4.24Å; V33-M55 HydrophobicContact CG1-SD 3.42Å; V33-M55 WeakPolarHBondContact CG1-SD 3.32Å; V33-M55 HydrophobicContact CG2-CE 4.18Å; V33-M55 HydrophobicContact CG2-SD 3.71Å; V33-P65 HydrophobicContact CB-CG 4.3Å; V33-P65 HydrophobicContact CG1-CB 3.73Å; V33-P65 HydrophobicContact CG1-CG 3.8Å; V33-L81 HydrophobicContact CG1-CD2 3.92Å
34H93Very high91Very high1 Ų143 Ų431%0.00523%0.231CC..Hα-helixtrans-62.6-45.3175.8-7187.7000110.8Y30 N31 A32 A37 L38 V57 C63 P65 Y68Y30-H34 HydrophobicContact CD1-CB 3.69Å; Y30-H34 HydrophobicContact CE1-CB 4.48Å; Y30-H34 HydrophobicContact CG-CB 4.49Å; N31-H34 PolarHBondContact N-ND1 3.32Å; N31-H34 WeakPolarHBondContact O-CB 3.21Å; N31-H34 PolarHBondContact O-N 3.23Å; A32-H34 PolarHBondContact O-N 3.17Å; H34-A37 PolarHBondContact O-N 3.37Å; H34-L38 WeakPolarHBondContact O-CB 3.49Å; H34-L38 PolarHBondContact O-N 3.18Å; H34-V57 PolarHBondContact CE1-O 2.87Å; H34-V57 PolarHBondContact NE2-O 3.05Å; H34-C63 PolarHBondContact NE2-O 3.18Å; H34-P65 WeakPolarHBondContact NE2-CD 3.2Å; H34-Y68 AromaticContact CD2-CD2 3.82Å; H34-Y68 AromaticContact CD2-CE2 3.76Å
35Y93.3Very high91.1Very high27 Ų2739.9 Ų39.911%0.10621%0.212CC..Hα-helixtrans-67.2-38.3177.6-68.1-69.7000112.6M1 K5 D26 Y30 N31 A32 A37 L38 S39M1-Y35 HydrophobicContact CB-CD2 3.89Å; M1-Y35 HydrophobicContact CB-CE2 3.99Å; M1-Y35 HydrophobicContact CG-CD2 4.27Å; M1-Y35 HydrophobicContact CG-CE2 4.28Å; M1-Y35 HydrophobicContact SD-CD2 4.41Å; M1-Y35 HydrophobicContact SD-CE2 3.88Å; K5-Y35 HydrophobicContact CB-CD1 4.21Å; K5-Y35 HydrophobicContact CB-CG 4.31Å; K5-Y35 HydrophobicContact CD-CD1 4.08Å; K5-Y35 HydrophobicContact CD-CE1 4.44Å; K5-Y35 HydrophobicContact CG-CD1 4.12Å; D26-Y35 PolarHBondContact OD2-OH 2.8Å; Y30-Y35 HydrophobicContact CD1-CE1 4.4Å; Y30-Y35 HydrophobicContact CD1-CE2 4.5Å; Y30-Y35 HydrophobicContact CG-CE2 4.31Å; N31-Y35 WeakPolarHBondContact O-CD2 3.38Å; N31-Y35 PolarHBondContact O-N 2.92Å; A32-Y35 PolarHBondContact O-N 2.92Å; Y35-A37 VanDerWaalsContact C-N 3.35Å; Y35-L38 PolarHBondContact O-N 3.13Å; Y35-S39 PolarHBondContact O-N 2.98Å; Y35-S39 PolarHBondContact O-OG 3.46Å
36A94.1Very high91Very high0 Ų037 Ų370%020%0.197CC..Hα-helixtrans-66-37.1174.300000112.4A4 A32 V33 S39 G40 C41 V44 I45 L48A4-A36 HydrophobicContact CB-CB 4.31Å; A32-A36 WeakPolarHBondContact O-CB 3.33Å; A32-A36 PolarHBondContact O-N 3Å; V33-A36 PolarHBondContact O-N 3.18Å; A36-S39 PolarHBondContact O-OG 3.23Å; A36-S39 VanDerWaalsContact O-OG 3.09Å; A36-G40 PolarHBondContact O-N 2.91Å; A36-C41 PolarHBondContact O-N 3.31Å; A36-V44 HydrophobicContact CB-CB 4.25Å; A36-V44 HydrophobicContact CB-CG1 3.8Å; A36-I45 HydrophobicContact CB-CG1 3.69Å; A36-L48 HydrophobicContact CB-CD1 4.12Å
37A93.4Very high91.1Very high0 Ų034.4 Ų34.40%018%0.183CC..Hα-helixtrans-69.4-38.1175.500000112.1V33 H34 Y35 G40 I45 P65 A69 L81V33-A37 VanDerWaalsContact O-CB 3.25Å; V33-A37 WeakPolarHBondContact O-CB 3.09Å; V33-A37 PolarHBondContact O-N 2.82Å; H34-A37 PolarHBondContact O-N 3.37Å; Y35-A37 VanDerWaalsContact C-N 3.35Å; A37-G40 PolarHBondContact O-N 2.96Å; A37-I45 HydrophobicContact CB-CD1 4.32Å; A37-P65 HydrophobicContact CB-CB 4.14Å; A37-P65 VanDerWaalsContact CB-O 3.28Å; A37-P65 WeakPolarHBondContact CB-O 3.25Å; A37-A69 HydrophobicContact CB-CB 4.15Å; A37-L81 HydrophobicContact CB-CD1 4.44Å
38L90.8Very high91.2Very high85 Ų8525.8 Ų25.845%0.44514%0.143SC..Hα-helixtrans-65.4-43.2175.5-179.268.9000112H34 Y35 G40 Y68H34-L38 WeakPolarHBondContact O-CB 3.49Å; H34-L38 PolarHBondContact O-N 3.18Å; Y35-L38 PolarHBondContact O-N 3.13Å; L38-G40 PolarHBondContact O-N 3.17Å; L38-Y68 HydrophobicContact CD1-CD1 3.85Å
39S87.1Confident91.4Very high47 Ų4721.6 Ų21.633%0.32912%0.121SC..Hα-helixtrans-73.4-12.4177.262.80000113.5A4 K5 Y35 A36 C41A4-S39 PolarHBondContact O-OG 2.98Å; K5-S39 VanDerWaalsContact O-CB 3.24Å; K5-S39 WeakPolarHBondContact O-CB 3.28Å; Y35-S39 PolarHBondContact O-N 2.98Å; Y35-S39 PolarHBondContact O-OG 3.46Å; A36-S39 PolarHBondContact O-OG 3.23Å; A36-S39 VanDerWaalsContact O-OG 3.09Å; S39-C41 VanDerWaalsContact C-N 3.26Å; S39-C41 PolarHBondContact O-N 3.22Å; S39-C41 PolarHBondContact OG-SG 3.02Å
40G87.7Confident91.4Very high20 Ų2021 Ų2121%0.20612%0.115CC..THydrogen-bonded Turntrans75.210.6-179.600000114.2A36 A37 L38 F42 N74A36-G40 PolarHBondContact O-N 2.91Å; A37-G40 PolarHBondContact O-N 2.96Å; L38-G40 PolarHBondContact O-N 3.17Å; G40-F42 PolarHBondContact O-N 3.26Å; G40-N74 PolarHBondContact O-ND2 2.77Å
41C89.3Confident91.4Very high32 Ų3220.8 Ų20.822%0.21611%0.114CC..  trans-8094.7-178.1-62.40000111.6G7 A36 S39 E43 V44 I45G7-C41 WeakPolarHBondContact CA-SG 3.38Å; A36-C41 PolarHBondContact O-N 3.31Å; S39-C41 VanDerWaalsContact C-N 3.26Å; S39-C41 PolarHBondContact O-N 3.22Å; S39-C41 PolarHBondContact OG-SG 3.02Å; C41-E43 PolarHBondContact O-N 3.39Å; C41-V44 HydrophobicContact CB-CB 4.12Å; C41-V44 HydrophobicContact CB-CG2 3.9Å; C41-V44 PolarHBondContact O-N 2.96Å; C41-I45 PolarHBondContact O-N 3.37Å
42F91.1Very high91.2Very high11 Ų1122.6 Ų22.65%0.04813%0.13CC..Hα-helixtrans-63.9-39.8-176.9173.3-115.9000113.1G40 V44 I45 M46 L76 F80 Y220G40-F42 PolarHBondContact O-N 3.26Å; F42-V44 VanDerWaalsContact C-N 3.29Å; F42-V44 PolarHBondContact O-N 3.39Å; F42-I45 WeakPolarHBondContact O-CB 3.22Å; F42-I45 PolarHBondContact O-N 3Å; F42-I45 VanDerWaalsContact O-N 3.15Å; F42-M46 HydrophobicContact CD1-SD 4.11Å; F42-M46 HydrophobicContact CE1-CG 4Å; F42-M46 HydrophobicContact CE1-SD 3.31Å; F42-M46 WeakPolarHBondContact CE1-SD 3.47Å; F42-M46 HydrophobicContact CE2-CG 4Å; F42-M46 HydrophobicContact CE2-SD 4.34Å; F42-M46 HydrophobicContact CZ-CG 3.67Å; F42-M46 HydrophobicContact CZ-SD 3.44Å; F42-M46 WeakPolarHBondContact CZ-SD 3.36Å; F42-M46 PolarHBondContact O-N 3.24Å; F42-L76 HydrophobicContact CD2-CB 4.16Å; F42-L76 HydrophobicContact CE2-CB 4.32Å; F42-L76 HydrophobicContact CG-CB 4.27Å; F42-F80 HydrophobicContact CE2-CB 3.65Å; F42-F80 HydrophobicContact CE2-CD1 4.34Å; F42-F80 HydrophobicContact CE2-CD2 4.2Å; F42-F80 AromaticContact CE2-CG 3.81Å; F42-F80 HydrophobicContact CE2-CG 3.81Å; F42-F80 HydrophobicContact CZ-CB 4.46Å; F42-F80 HydrophobicContact CZ-CD2 4.4Å; F42-F80 HydrophobicContact CZ-CG 4.45Å; F42-Y220 HydrophobicContact CE2-CD1 4.27Å; F42-Y220 AromaticContact CZ-CD1 3.73Å; F42-Y220 HydrophobicContact CZ-CD1 3.73Å; F42-Y220 AromaticContact CZ-CG 3.95Å; F42-Y220 HydrophobicContact CZ-CG 3.95Å
43E90.4Very high91Very high113 Ų11322.7 Ų22.753%0.52813%0.13SC..Hα-helixtrans-63.3-37.2-178.2-6476.1-170.200111.4L9 C41 M46 V47L9-E43 HydrophobicContact CD1-CB 4.16Å; C41-E43 PolarHBondContact O-N 3.39Å; E43-M46 WeakPolarHBondContact O-CB 3.35Å; E43-M46 PolarHBondContact O-N 3.36Å; E43-V47 PolarHBondContact O-N 3.35Å; E43-V47 VanDerWaalsContact O-N 3.08Å
44V92.3Very high90.7Very high2 Ų225.8 Ų25.81%0.01215%0.147CC..Hα-helixtrans-66.7-40.1176.4176.80000110.6A4 L9 V12 A36 C41 F42 M46 V47 L48A4-V44 HydrophobicContact CB-CG1 4.01Å; L9-V44 HydrophobicContact CD1-CG2 4.31Å; V12-V44 HydrophobicContact CG1-CG1 4.33Å; V12-V44 HydrophobicContact CG2-CG1 4.22Å; A36-V44 HydrophobicContact CB-CB 4.25Å; A36-V44 HydrophobicContact CB-CG1 3.8Å; C41-V44 HydrophobicContact CB-CB 4.12Å; C41-V44 HydrophobicContact CB-CG2 3.9Å; C41-V44 PolarHBondContact O-N 2.96Å; F42-V44 VanDerWaalsContact C-N 3.29Å; F42-V44 PolarHBondContact O-N 3.39Å; V44-M46 VanDerWaalsContact C-N 3.31Å; V44-M46 PolarHBondContact O-N 3.08Å; V44-V47 PolarHBondContact O-N 3.41Å; V44-L48 HydrophobicContact CG1-CD1 4Å; V44-L48 HydrophobicContact CG1-CG 4.43Å; V44-L48 WeakPolarHBondContact O-CB 3.27Å; V44-L48 VanDerWaalsContact O-CG 3.27Å; V44-L48 WeakPolarHBondContact O-CG 3.45Å; V44-L48 PolarHBondContact O-N 2.92Å
45I92.6Very high90.4Very high0 Ų026 Ų260%015%0.148CC..Hα-helixtrans-63.1-39.4175.6-60.5170.6000110.7A36 A37 C41 F42 L48 S49 M55 F80 L81A36-I45 HydrophobicContact CB-CG1 3.69Å; A37-I45 HydrophobicContact CB-CD1 4.32Å; C41-I45 PolarHBondContact O-N 3.37Å; F42-I45 WeakPolarHBondContact O-CB 3.22Å; F42-I45 PolarHBondContact O-N 3Å; F42-I45 VanDerWaalsContact O-N 3.15Å; I45-L48 PolarHBondContact O-N 3.41Å; I45-S49 PolarHBondContact O-N 3.43Å; I45-M55 HydrophobicContact CG2-CE 4.34Å; I45-M55 HydrophobicContact CG2-SD 4.27Å; I45-F80 HydrophobicContact CG2-CD1 3.82Å; I45-F80 HydrophobicContact CG2-CE1 3.96Å; I45-L81 HydrophobicContact CG2-CD2 3.82Å; I45-L81 HydrophobicContact CG2-CG 4.34Å
46M90.8Very high90.1Very high42 Ų4227.4 Ų27.421%0.20716%0.162CC..Hα-helixtrans-61.7-47.5175.6-76.1-174.850.400112.1F42 E43 V44 S49 G50 F80 L217F42-M46 HydrophobicContact CD1-SD 4.11Å; F42-M46 HydrophobicContact CE1-CG 4Å; F42-M46 HydrophobicContact CE1-SD 3.31Å; F42-M46 WeakPolarHBondContact CE1-SD 3.47Å; F42-M46 HydrophobicContact CE2-CG 4Å; F42-M46 HydrophobicContact CE2-SD 4.34Å; F42-M46 HydrophobicContact CZ-CG 3.67Å; F42-M46 HydrophobicContact CZ-SD 3.44Å; F42-M46 WeakPolarHBondContact CZ-SD 3.36Å; F42-M46 PolarHBondContact O-N 3.24Å; E43-M46 WeakPolarHBondContact O-CB 3.35Å; E43-M46 PolarHBondContact O-N 3.36Å; V44-M46 VanDerWaalsContact C-N 3.31Å; V44-M46 PolarHBondContact O-N 3.08Å; M46-S49 VanDerWaalsContact O-CB 3.28Å; M46-S49 WeakPolarHBondContact O-CB 3.15Å; M46-S49 PolarHBondContact O-N 3Å; M46-G50 PolarHBondContact O-N 3.24Å; M46-F80 HydrophobicContact CG-CE2 4.37Å; M46-F80 HydrophobicContact CG-CZ 4.27Å; M46-L217 HydrophobicContact CE-CB 4.47Å; M46-L217 HydrophobicContact CE-CD1 3.91Å; M46-L217 HydrophobicContact CE-CD2 3.71Å; M46-L217 HydrophobicContact CE-CG 4.24Å; M46-L217 HydrophobicContact SD-CD2 4.43Å
47V91.3Very high89.9Confident8 Ų828.4 Ų28.45%0.04817%0.168CC..Hα-helixtrans-62.2-45.6178.3173.50000110.4L9 L16 E43 V44 S49 G50 F51L9-V47 HydrophobicContact CD1-CB 4.47Å; L9-V47 HydrophobicContact CD1-CG2 3.65Å; L16-V47 HydrophobicContact CD1-CG1 3.85Å; E43-V47 PolarHBondContact O-N 3.35Å; E43-V47 VanDerWaalsContact O-N 3.08Å; V44-V47 PolarHBondContact O-N 3.41Å; V47-S49 PolarHBondContact O-N 2.84Å; V47-G50 PolarHBondContact O-N 2.83Å; V47-F51 HydrophobicContact CG1-CD2 3.99Å; V47-F51 HydrophobicContact CG1-CE2 3.91Å; V47-F51 WeakPolarHBondContact O-CD2 3.36Å; V47-F51 PolarHBondContact O-N 3.34Å
48L92.3Very high89.7Confident3 Ų332.5 Ų32.52%0.01619%0.189CC..Hα-helixtrans-57.5-37.9176.5-71169.3000112.2V12 L16 P22 A32 V33 A36 V44 I45 G50 F51 A53 M55V12-L48 HydrophobicContact CG1-CD2 4.47Å; L16-L48 HydrophobicContact CD1-CD2 4.01Å; L16-L48 HydrophobicContact CD2-CD2 4.41Å; P22-L48 HydrophobicContact CB-CD2 3.95Å; A32-L48 HydrophobicContact CB-CD1 4.12Å; A32-L48 HydrophobicContact CB-CD2 4.08Å; V33-L48 HydrophobicContact CG2-CB 4.27Å; V33-L48 HydrophobicContact CG2-CD1 4.01Å; A36-L48 HydrophobicContact CB-CD1 4.12Å; V44-L48 HydrophobicContact CG1-CD1 4Å; V44-L48 HydrophobicContact CG1-CG 4.43Å; V44-L48 WeakPolarHBondContact O-CB 3.27Å; V44-L48 VanDerWaalsContact O-CG 3.27Å; V44-L48 WeakPolarHBondContact O-CG 3.45Å; V44-L48 PolarHBondContact O-N 2.92Å; I45-L48 PolarHBondContact O-N 3.41Å; L48-G50 VanDerWaalsContact C-N 3.35Å; L48-G50 PolarHBondContact O-N 3.09Å; L48-F51 CarbonylContact O-C 3.57Å; L48-F51 PolarHBondContact O-N 3.37Å; L48-A53 HydrophobicContact CB-CB 3.88Å; L48-A53 WeakPolarHBondContact O-CB 3.23Å; L48-A53 PolarHBondContact O-N 3.37Å; L48-M55 HydrophobicContact CB-CE 4.45Å
49S91.2Very high89.7Confident3 Ų328.6 Ų28.62%0.02117%0.168CC..Hα-helixtrans-60.5-41.6174.1-160.20000112.8I45 M46 V47 F51 A52 D143I45-S49 PolarHBondContact O-N 3.43Å; M46-S49 VanDerWaalsContact O-CB 3.28Å; M46-S49 WeakPolarHBondContact O-CB 3.15Å; M46-S49 PolarHBondContact O-N 3Å; V47-S49 PolarHBondContact O-N 2.84Å; S49-F51 PolarHBondContact O-N 2.91Å; S49-A52 PolarHBondContact O-N 3.01Å; S49-A52 VanDerWaalsContact O-N 3.08Å; S49-D143 WeakPolarHBondContact CB-OD2 3.36Å; S49-D143 PolarHBondContact OG-OD2 3.14Å
50G88.9Confident89.7Confident1 Ų132.3 Ų32.31%0.0118%0.182CC..Hα-helixtrans-65.2-26.3177.600000113.7M46 V47 L48 A52 W144M46-G50 PolarHBondContact O-N 3.24Å; V47-G50 PolarHBondContact O-N 2.83Å; L48-G50 VanDerWaalsContact C-N 3.35Å; L48-G50 PolarHBondContact O-N 3.09Å; G50-A52 VanDerWaalsContact C-N 3.31Å; G50-W144 WeakPolarHBondContact O-CB 3.43Å
51F90Very high89.6Confident34 Ų3434.3 Ų34.315%0.14919%0.188CC..THydrogen-bonded Turntrans-93.423.3173-71.8-86.1000113.1L16 R17 P22 V47 L48 S49 A53 E147 Y148L16-F51 HydrophobicContact CB-CD1 3.82Å; L16-F51 HydrophobicContact CB-CD2 3.76Å; L16-F51 HydrophobicContact CB-CE1 3.78Å; L16-F51 HydrophobicContact CB-CE2 3.74Å; L16-F51 HydrophobicContact CB-CG 3.81Å; L16-F51 HydrophobicContact CB-CZ 3.75Å; L16-F51 HydrophobicContact CD1-CB 4.28Å; L16-F51 HydrophobicContact CD1-CD2 3.45Å; L16-F51 VanDerWaalsContact CD1-CD2 3.45Å; L16-F51 HydrophobicContact CD1-CE2 3.93Å; L16-F51 HydrophobicContact CD1-CG 3.94Å; L16-F51 HydrophobicContact CD2-CB 4.28Å; L16-F51 HydrophobicContact CD2-CG 4.35Å; L16-F51 HydrophobicContact CG-CD2 4.13Å; L16-F51 HydrophobicContact CG-CE2 4.47Å; L16-F51 HydrophobicContact CG-CG 4.24Å; R17-F51 HydrophobicContact CG-CZ 4.11Å; P22-F51 HydrophobicContact CG-CB 4.45Å; P22-F51 WeakPolarHBondContact CG-O 3.39Å; V47-F51 HydrophobicContact CG1-CD2 3.99Å; V47-F51 HydrophobicContact CG1-CE2 3.91Å; V47-F51 WeakPolarHBondContact O-CD2 3.36Å; V47-F51 PolarHBondContact O-N 3.34Å; L48-F51 CarbonylContact O-C 3.57Å; L48-F51 PolarHBondContact O-N 3.37Å; S49-F51 PolarHBondContact O-N 2.91Å; F51-A53 VanDerWaalsContact C-N 3.32Å; F51-A53 PolarHBondContact O-N 3.19Å; F51-E147 HydrophobicContact CE2-CG 4.24Å; F51-Y148 HydrophobicContact CE1-CE2 4.35Å; F51-Y148 WeakPolarHBondContact CE1-OH 3.36Å; F51-Y148 HydrophobicContact CZ-CE2 4.29Å
52A88Confident89.6Confident39 Ų3936.6 Ų36.632%0.32220%0.198SC..THydrogen-bonded Turntrans57.737.1177.300000114.6N23 S49 G50 P178N23-A52 PolarHBondContact ND2-O 3.37Å; N23-A52 VanDerWaalsContact ND2-O 3.15Å; S49-A52 PolarHBondContact O-N 3.01Å; S49-A52 VanDerWaalsContact O-N 3.08Å; G50-A52 VanDerWaalsContact C-N 3.31Å; A52-P178 HydrophobicContact CB-CB 4.22Å
53A89.6Confident89.6Confident8 Ų836.7 Ų36.77%0.06620%0.2CC..  trans-67.1134.5170.700000111.4P22 N23 V33 L48 F51 M55P22-A53 HydrophobicContact CB-CB 3.76Å; P22-A53 HydrophobicContact CG-CB 4.03Å; N23-A53 VanDerWaalsContact OD1-CA 3.29Å; N23-A53 WeakPolarHBondContact OD1-CA 3.49Å; V33-A53 HydrophobicContact CG2-CB 3.79Å; L48-A53 HydrophobicContact CB-CB 3.88Å; L48-A53 WeakPolarHBondContact O-CB 3.23Å; L48-A53 PolarHBondContact O-N 3.37Å; F51-A53 VanDerWaalsContact C-N 3.32Å; F51-A53 PolarHBondContact O-N 3.19Å; A53-M55 HydrophobicContact CB-CE 4.16Å; A53-M55 PolarHBondContact O-N 2.95Å
54D86.9Confident89.6Confident66 Ų6631.4 Ų31.435%0.35318%0.175SC..  trans-74.2116.3175.1-176.13.5000110.1N23 N31 S56 V57N23-D54 PolarHBondContact OD1-N 3.29Å; N31-D54 PolarHBondContact ND2-O 3.14Å; D54-S56 VanDerWaalsContact C-N 3.34Å; D54-S56 WeakPolarHBondContact OD1-CB 3.42Å; D54-S56 PolarHBondContact OD1-N 2.96Å; D54-S56 PolarHBondContact OD1-OG 3Å; D54-V57 HydrophobicContact CB-CG2 3.71Å; D54-V57 WeakPolarHBondContact O-CG2 3.38Å; D54-V57 WeakPolarHBondContact OD2-CG2 3.27Å
55M87.8Confident89.7Confident5 Ų531.3 Ų31.33%0.02518%0.175CC..SBendtrans-87.2-8.2-178.5-58.1-63.9172.600112.7V33 I45 L48 A53 L81 R84 C86V33-M55 HydrophobicContact CB-SD 4.24Å; V33-M55 HydrophobicContact CG1-SD 3.42Å; V33-M55 WeakPolarHBondContact CG1-SD 3.32Å; V33-M55 HydrophobicContact CG2-CE 4.18Å; V33-M55 HydrophobicContact CG2-SD 3.71Å; I45-M55 HydrophobicContact CG2-CE 4.34Å; I45-M55 HydrophobicContact CG2-SD 4.27Å; L48-M55 HydrophobicContact CB-CE 4.45Å; A53-M55 HydrophobicContact CB-CE 4.16Å; A53-M55 PolarHBondContact O-N 2.95Å; M55-L81 HydrophobicContact CB-CD2 4.12Å; M55-L81 HydrophobicContact CG-CD2 4.23Å; M55-L81 HydrophobicContact SD-CD2 3.6Å; M55-L81 VanDerWaalsContact SD-CD2 3.6Å; M55-R84 HydrophobicContact CG-CB 4.14Å; M55-C86 PolarHBondContact O-SG 2.88Å
56S86.8Confident89.7Confident56 Ų5631.3 Ų31.339%0.39218%0.175SC..  trans-101.5-0.4-174.173.10000114.1D54D54-S56 VanDerWaalsContact C-N 3.34Å; D54-S56 WeakPolarHBondContact OD1-CB 3.42Å; D54-S56 PolarHBondContact OD1-N 2.96Å; D54-S56 PolarHBondContact OD1-OG 3Å
57V89.5Confident89.8Confident21 Ų2129.5 Ų29.513%0.12717%0.166CC..  trans-53.9138.7179.1-178.50000110.9L25 N31 H34 D54 P65L25-V57 HydrophobicContact CD2-CG1 3.69Å; N31-V57 HydrophobicContact CB-CG1 4.38Å; H34-V57 PolarHBondContact CE1-O 2.87Å; H34-V57 PolarHBondContact NE2-O 3.05Å; D54-V57 HydrophobicContact CB-CG2 3.71Å; D54-V57 WeakPolarHBondContact O-CG2 3.38Å; D54-V57 WeakPolarHBondContact OD2-CG2 3.27Å; V57-P65 VanDerWaalsContact O-CD 3.27Å; V57-P65 WeakPolarHBondContact O-CD 3.35Å
58I90.2Very high89.9Confident86 Ų8630.6 Ų30.644%0.44117%0.169SC..  trans-113.1127.8178.4-60170.6000107.2N62 T64I58-N62 VanDerWaalsContact CG2-CA 3.41Å; I58-N62 HydrophobicContact CG2-CB 4.27Å; I58-T64 HydrophobicContact CG1-CG2 3.86Å
59N89.9Confident89.9Confident4 Ų430.5 Ų30.52%0.02117%0.169CC..  trans-81.3-180175.973.90.2000112Y30 D61 N62 C63 Y68Y30-N59 HydrophobicContact CD2-CB 4.29Å; Y30-N59 HydrophobicContact CE2-CB 4.31Å; Y30-N59 PolarHBondContact OH-ND2 2.99Å; N59-D61 PolarHBondContact O-N 3.45Å; N59-D61 WeakPolarHBondContact OD1-CA 3.49Å; N59-D61 PolarHBondContact OD1-N 3.42Å; N59-N62 PolarHBondContact O-N 3.48Å; N59-N62 PolarHBondContact OD1-N 2.94Å; N59-C63 PolarHBondContact N-O 3.29Å; N59-C63 VanDerWaalsContact N-O 3.11Å; N59-C63 WeakPolarHBondContact OD1-CA 3.39Å; N59-C63 WeakPolarHBondContact OD1-CB 3.44Å; N59-C63 PolarHBondContact OD1-N 3.07Å; N59-C63 PolarHBondContact OD1-O 3.03Å; N59-Y68 PolarHBondContact ND2-OH 3.48Å
60M86.9Confident90Very high124 Ų12430.3 Ų30.361%0.61117%0.168SC*.THydrogen-bonded Turntrans-58.8-20.8179.4-70.8-62.9-73.400113.8N28 N62 K93N28-M60 WeakPolarHBondContact O-CG 3.21Å; N28-M60 PolarHBondContact O-N 3.14Å; M60-N62 VanDerWaalsContact C-N 3.33Å; M60-K93 WeakPolarHBondContact O-CE 3.5Å; M60-K93 PolarHBondContact O-NZ 2.91Å
61D86.3Confident90.1Very high63 Ų6331.9 Ų31.934%0.33718%0.181SC..THydrogen-bonded Turntrans-9212179-61.5-40.1000114.4N59 C63 K93N59-D61 PolarHBondContact O-N 3.45Å; N59-D61 WeakPolarHBondContact OD1-CA 3.49Å; N59-D61 PolarHBondContact OD1-N 3.42Å; D61-C63 PolarHBondContact O-N 2.97Å; D61-C63 VanDerWaalsContact O-N 3.16Å; D61-K93 HydrophobicContact CB-CD 4.4Å; D61-K93 WeakPolarHBondContact O-CG 3.45Å; D61-K93 PolarHBondContact O-N 3.09Å; D61-K93 IonicContact OD1-NZ 2.65Å; D61-K93 PolarHBondContact OD1-NZ 3.42Å
62N89.7Confident90.1Very high79 Ų7932.6 Ų32.642%0.42219%0.192SC..SBendtrans56.920.4-170.8-69.3-22.8000113.4I58 N59 M60I58-N62 VanDerWaalsContact CG2-CA 3.41Å; I58-N62 HydrophobicContact CG2-CB 4.27Å; N59-N62 PolarHBondContact O-N 3.48Å; N59-N62 PolarHBondContact OD1-N 2.94Å; M60-N62 VanDerWaalsContact C-N 3.33Å
63C89.5Confident90.1Very high13 Ų1331.8 Ų31.89%0.08819%0.188CC..  trans-89.7126.2176-68.80000109.5H34 N59 D61 H67 Y68 N92H34-C63 PolarHBondContact NE2-O 3.18Å; N59-C63 PolarHBondContact N-O 3.29Å; N59-C63 VanDerWaalsContact N-O 3.11Å; N59-C63 WeakPolarHBondContact OD1-CA 3.39Å; N59-C63 WeakPolarHBondContact OD1-CB 3.44Å; N59-C63 PolarHBondContact OD1-N 3.07Å; N59-C63 PolarHBondContact OD1-O 3.03Å; D61-C63 PolarHBondContact O-N 2.97Å; D61-C63 VanDerWaalsContact O-N 3.16Å; C63-H67 HydrophobicContact CB-CB 4.31Å; C63-Y68 HydrophobicContact CB-CD2 4.44Å; C63-Y68 HydrophobicContact CB-CE2 3.54Å; C63-N92 VanDerWaalsContact SG-CB 3.52Å
64T92.2Very high90Very high2 Ų233.1 Ų33.11%0.01219%0.194CC..  trans-85.2164.3166.761.70000110.7I58 L66 H67 V90I58-T64 HydrophobicContact CG1-CG2 3.86Å; T64-L66 PolarHBondContact O-N 2.95Å; T64-H67 PolarHBondContact N-ND1 3.14Å; T64-H67 VanDerWaalsContact N-ND1 3.18Å; T64-H67 WeakPolarHBondContact O-CB 3.26Å; T64-H67 PolarHBondContact O-N 3.4Å; T64-H67 PolarHBondContact OG1-CE1 3.14Å; T64-H67 PolarHBondContact OG1-ND1 3.24Å; T64-V90 HydrophobicContact CG2-CB 4.26Å; T64-V90 HydrophobicContact CG2-CG1 4.13Å; T64-V90 HydrophobicContact CG2-CG2 4.43Å
65P93.2Very high90.2Very high0 Ų031 Ų310%019%0.185CC..Hα-helixtrans-55.4-26.6173.8-25.633.9000113.2V33 H34 A37 V57 H67 Y68 A69 L81V33-P65 HydrophobicContact CB-CG 4.3Å; V33-P65 HydrophobicContact CG1-CB 3.73Å; V33-P65 HydrophobicContact CG1-CG 3.8Å; H34-P65 WeakPolarHBondContact NE2-CD 3.2Å; A37-P65 HydrophobicContact CB-CB 4.14Å; A37-P65 VanDerWaalsContact CB-O 3.28Å; A37-P65 WeakPolarHBondContact CB-O 3.25Å; V57-P65 VanDerWaalsContact O-CD 3.27Å; V57-P65 WeakPolarHBondContact O-CD 3.35Å; P65-H67 VanDerWaalsContact C-N 3.33Å; P65-H67 PolarHBondContact O-N 2.5Å; P65-Y68 PolarHBondContact O-N 2.95Å; P65-A69 WeakPolarHBondContact O-CB 3.45Å; P65-A69 PolarHBondContact O-N 3.49Å; P65-L81 HydrophobicContact CB-CD1 4.16Å; P65-L81 HydrophobicContact CB-CD2 4.41Å
66L93.1Very high90.3Very high0 Ų034 Ų340%020%0.201CC..Hα-helixtrans-65.8-31.9176.8-170.665000113.2T64 A70 C78 L81 P88 A98 L114T64-L66 PolarHBondContact O-N 2.95Å; L66-A70 VanDerWaalsContact O-CB 3.26Å; L66-A70 WeakPolarHBondContact O-CB 3.5Å; L66-A70 PolarHBondContact O-N 3.14Å; L66-C78 HydrophobicContact CD1-CB 4.15Å; L66-C78 WeakPolarHBondContact CD1-O 3.49Å; L66-L81 HydrophobicContact CD1-CB 4.13Å; L66-P88 HydrophobicContact CD2-CB 3.79Å; L66-A98 HydrophobicContact CG-CB 4.14Å; L66-L114 HydrophobicContact CD1-CD2 3.72Å; L66-L114 HydrophobicContact CD2-CD2 4.02Å; L66-L114 HydrophobicContact CG-CD2 3.88Å
67H92.8Very high90.5Very high4 Ų431.4 Ų31.42%0.01918%0.183CC..Hα-helixtrans-66.1-42.5174.7-67.183.5000110.7C63 T64 P65 A70 A71 V90 A98 I101C63-H67 HydrophobicContact CB-CB 4.31Å; T64-H67 PolarHBondContact N-ND1 3.14Å; T64-H67 VanDerWaalsContact N-ND1 3.18Å; T64-H67 WeakPolarHBondContact O-CB 3.26Å; T64-H67 PolarHBondContact O-N 3.4Å; T64-H67 PolarHBondContact OG1-CE1 3.14Å; T64-H67 PolarHBondContact OG1-ND1 3.24Å; P65-H67 VanDerWaalsContact C-N 3.33Å; P65-H67 PolarHBondContact O-N 2.5Å; H67-A70 WeakPolarHBondContact O-CB 3.33Å; H67-A70 PolarHBondContact O-N 3.29Å; H67-A71 PolarHBondContact O-N 3.36Å; H67-V90 PolarHBondContact CE1-O 3.4Å; H67-V90 PolarHBondContact NE2-O 3.11Å; H67-V90 VanDerWaalsContact NE2-O 3.14Å; H67-A98 PolarHBondContact CD2-N 2.78Å; H67-A98 PolarHBondContact NE2-N 3.39Å; H67-I101 HydrophobicContact CB-CD1 4.04Å
68Y92.4Very high90.6Very high32 Ų3230.4 Ų30.413%0.12518%0.177CC..Hα-helixtrans-69.3-41.1176.3-65.2-72.5000112.5Y30 H34 L38 N59 C63 P65 A70 A71 A72Y30-Y68 HydrophobicContact CE1-CE1 4.39Å; Y30-Y68 HydrophobicContact CE1-CE2 4.05Å; Y30-Y68 AromaticContact CE1-CZ 3.75Å; Y30-Y68 PolarHBondContact OH-OH 3.21Å; H34-Y68 AromaticContact CD2-CD2 3.82Å; H34-Y68 AromaticContact CD2-CE2 3.76Å; L38-Y68 HydrophobicContact CD1-CD1 3.85Å; N59-Y68 PolarHBondContact ND2-OH 3.48Å; C63-Y68 HydrophobicContact CB-CD2 4.44Å; C63-Y68 HydrophobicContact CB-CE2 3.54Å; P65-Y68 PolarHBondContact O-N 2.95Å; Y68-A70 PolarHBondContact O-N 3.29Å; Y68-A71 PolarHBondContact O-N 3.21Å; Y68-A72 WeakPolarHBondContact O-CB 3.42Å; Y68-A72 PolarHBondContact O-N 3.2Å
69A93.4Very high90.6Very high0 Ų028.7 Ų28.70%017%0.166CC..Hα-helixtrans-61.5-34.417400000112.1A37 P65 G73 N74 L81A37-A69 HydrophobicContact CB-CB 4.15Å; P65-A69 WeakPolarHBondContact O-CB 3.45Å; P65-A69 PolarHBondContact O-N 3.49Å; A69-G73 PolarHBondContact O-N 3.37Å; A69-G73 VanDerWaalsContact O-N 3.11Å; A69-N74 PolarHBondContact O-N 3.4Å; A69-L81 HydrophobicContact CB-CD1 3.81Å
70A92.6Very high90.6Very high0 Ų028.5 Ų28.50%017%0.165CC..Hα-helixtrans-70.4-39.5175.700000112.3L66 H67 Y68 G73 A98 A102 L107 L114L66-A70 VanDerWaalsContact O-CB 3.26Å; L66-A70 WeakPolarHBondContact O-CB 3.5Å; L66-A70 PolarHBondContact O-N 3.14Å; H67-A70 WeakPolarHBondContact O-CB 3.33Å; H67-A70 PolarHBondContact O-N 3.29Å; Y68-A70 PolarHBondContact O-N 3.29Å; A70-G73 PolarHBondContact O-N 3.34Å; A70-A98 HydrophobicContact CB-CB 3.99Å; A70-A98 VanDerWaalsContact CB-O 3.23Å; A70-A98 WeakPolarHBondContact CB-O 3.37Å; A70-A102 HydrophobicContact CB-CB 4.19Å; A70-L107 WeakPolarHBondContact O-CD1 3.35Å; A70-L114 HydrophobicContact CB-CD1 3.83Å
71A90.7Very high90.8Very high34 Ų3422.6 Ų22.628%0.28114%0.136SC..Hα-helixtrans-65.8-40.5173.100000112.2H67 Y68 G73 I101 F105H67-A71 PolarHBondContact O-N 3.36Å; Y68-A71 PolarHBondContact O-N 3.21Å; A71-G73 PolarHBondContact O-N 3.47Å; A71-I101 HydrophobicContact CB-CG2 3.93Å; A71-F105 HydrophobicContact CB-CD2 4.44Å; A71-F105 HydrophobicContact CB-CE2 4.04Å
72A89.6Confident90.9Very high48 Ų4820.5 Ų20.540%0.39713%0.128SC..Hα-helixtrans-70.8-18.1176.300000113.5Y68 N74Y68-A72 WeakPolarHBondContact O-CB 3.42Å; Y68-A72 PolarHBondContact O-N 3.2Å; A72-N74 VanDerWaalsContact C-N 3.33Å; A72-N74 PolarHBondContact O-N 3.23Å
73G87.9Confident90.8Very high22 Ų2218.3 Ų18.323%0.22712%0.115CC..THydrogen-bonded Turntrans76.313177.700000116.3A69 A70 A71 A75 L107A69-G73 PolarHBondContact O-N 3.37Å; A69-G73 VanDerWaalsContact O-N 3.11Å; A70-G73 PolarHBondContact O-N 3.34Å; A71-G73 PolarHBondContact O-N 3.47Å; G73-A75 PolarHBondContact O-N 3.28Å; G73-A75 VanDerWaalsContact O-N 3.16Å; G73-L107 VanDerWaalsContact CA-CD1 3.42Å
74N89.2Confident90.6Very high36 Ų3617.9 Ų17.919%0.19311%0.112CC..  trans-79.8100.4175.3-168-26.6000111.1G40 A69 A72 L76 S77 C78G40-N74 PolarHBondContact O-ND2 2.77Å; A69-N74 PolarHBondContact O-N 3.4Å; A72-N74 VanDerWaalsContact C-N 3.33Å; A72-N74 PolarHBondContact O-N 3.23Å; N74-L76 VanDerWaalsContact C-N 3.29Å; N74-L76 PolarHBondContact O-N 2.93Å; N74-L76 WeakPolarHBondContact OD1-CB 3.49Å; N74-L76 PolarHBondContact OD1-N 3.34Å; N74-S77 PolarHBondContact ND2-OG 2.81Å; N74-S77 PolarHBondContact O-N 3.31Å; N74-S77 PolarHBondContact OD1-N 3.02Å; N74-C78 PolarHBondContact O-N 3.47Å; N74-C78 PolarHBondContact O-SG 3.02Å
75A90.5Very high90.1Very high21 Ų2119.6 Ų19.617%0.17413%0.129CC..Hα-helixtrans-64-31.1-179.500000113.4G73 K79 A109 E113G73-A75 PolarHBondContact O-N 3.28Å; G73-A75 VanDerWaalsContact O-N 3.16Å; A75-K79 WeakPolarHBondContact O-CB 3.45Å; A75-K79 PolarHBondContact O-N 3.37Å; A75-A109 HydrophobicContact CB-CB 4Å; A75-E113 HydrophobicContact CB-CG 4.34Å
76L90.6Very high89.7Confident69 Ų6919.6 Ų19.636%0.36113%0.129SC..Hα-helixtrans-70.7-45.6177.5-65.3177.2000110.6F42 N74 C78 K79 F80 Y220F42-L76 HydrophobicContact CD2-CB 4.16Å; F42-L76 HydrophobicContact CE2-CB 4.32Å; F42-L76 HydrophobicContact CG-CB 4.27Å; N74-L76 VanDerWaalsContact C-N 3.29Å; N74-L76 PolarHBondContact O-N 2.93Å; N74-L76 WeakPolarHBondContact OD1-CB 3.49Å; N74-L76 PolarHBondContact OD1-N 3.34Å; L76-C78 VanDerWaalsContact C-N 3.34Å; L76-C78 PolarHBondContact O-N 3.21Å; L76-K79 PolarHBondContact O-N 3.32Å; L76-F80 WeakPolarHBondContact O-CB 3.27Å; L76-F80 PolarHBondContact O-N 3.31Å; L76-Y220 HydrophobicContact CD2-CD1 4.4Å
77S90.7Very high89.3Confident1 Ų122 Ų221%0.00714%0.142CC..Hα-helixtrans-59.3-44.2174.4-56.10000111.5N74 K79 F80 L81N74-S77 PolarHBondContact ND2-OG 2.81Å; N74-S77 PolarHBondContact O-N 3.31Å; N74-S77 PolarHBondContact OD1-N 3.02Å; S77-K79 VanDerWaalsContact C-N 3.35Å; S77-K79 PolarHBondContact O-N 3.05Å; S77-F80 PolarHBondContact O-N 2.88Å; S77-L81 WeakPolarHBondContact O-CB 3.35Å; S77-L81 VanDerWaalsContact O-CG 3.27Å; S77-L81 WeakPolarHBondContact O-CG 3.33Å; S77-L81 PolarHBondContact O-N 3.44Å
78C90.6Very high89.1Confident0 Ų022 Ų220%014%0.142CC..Hα-helixtrans-58.9-45.4175.8-67.90000112.5L66 N74 L76 A82 L114L66-C78 HydrophobicContact CD1-CB 4.15Å; L66-C78 WeakPolarHBondContact CD1-O 3.49Å; N74-C78 PolarHBondContact O-N 3.47Å; N74-C78 PolarHBondContact O-SG 3.02Å; L76-C78 VanDerWaalsContact C-N 3.34Å; L76-C78 PolarHBondContact O-N 3.21Å; C78-A82 WeakPolarHBondContact O-CB 3.48Å; C78-A82 PolarHBondContact O-N 3.25Å; C78-L114 HydrophobicContact CB-CD2 4.07Å; C78-L114 HydrophobicContact CB-CG 4.23Å
79K90Very high88.8Confident51 Ų5125.9 Ų25.922%0.22216%0.16CC..Hα-helixtrans-65.6-43.9179-177.5-169.4165.2-158.70111.4A75 L76 S77 Q83 E113 Y220A75-K79 WeakPolarHBondContact O-CB 3.45Å; A75-K79 PolarHBondContact O-N 3.37Å; L76-K79 PolarHBondContact O-N 3.32Å; S77-K79 VanDerWaalsContact C-N 3.35Å; S77-K79 PolarHBondContact O-N 3.05Å; K79-Q83 WeakPolarHBondContact O-CG 3.21Å; K79-Q83 PolarHBondContact O-N 2.93Å; K79-Q83 VanDerWaalsContact O-N 3.16Å; K79-E113 HydrophobicContact CB-CB 4.33Å; K79-E113 HydrophobicContact CB-CG 4.44Å; K79-Y220 HydrophobicContact CB-CE1 4.26Å; K79-Y220 HydrophobicContact CD-CE1 3.7Å; K79-Y220 WeakPolarHBondContact CE-OH 3.48Å; K79-Y220 HydrophobicContact CG-CE1 4Å
80F91.1Very high88.5Confident0 Ų027.3 Ų27.30%017%0.168CC..Hα-helixtrans-68.1-49.9-177-177.4-97.3000112.1F42 I45 M46 L76 S77 A82 Q83 R84 L217 Y220F42-F80 HydrophobicContact CE2-CB 3.65Å; F42-F80 HydrophobicContact CE2-CD1 4.34Å; F42-F80 HydrophobicContact CE2-CD2 4.2Å; F42-F80 AromaticContact CE2-CG 3.81Å; F42-F80 HydrophobicContact CE2-CG 3.81Å; F42-F80 HydrophobicContact CZ-CB 4.46Å; F42-F80 HydrophobicContact CZ-CD2 4.4Å; F42-F80 HydrophobicContact CZ-CG 4.45Å; I45-F80 HydrophobicContact CG2-CD1 3.82Å; I45-F80 HydrophobicContact CG2-CE1 3.96Å; M46-F80 HydrophobicContact CG-CE2 4.37Å; M46-F80 HydrophobicContact CG-CZ 4.27Å; L76-F80 WeakPolarHBondContact O-CB 3.27Å; L76-F80 PolarHBondContact O-N 3.31Å; S77-F80 PolarHBondContact O-N 2.88Å; F80-A82 VanDerWaalsContact C-N 3.31Å; F80-A82 PolarHBondContact O-N 2.84Å; F80-Q83 WeakPolarHBondContact O-CB 3.37Å; F80-Q83 PolarHBondContact O-N 3.4Å; F80-R84 HydrophobicContact CD1-CG 4.38Å; F80-R84 HydrophobicContact CE1-CG 3.98Å; F80-R84 HydrophobicContact CE2-CG 4.29Å; F80-R84 HydrophobicContact CZ-CG 3.93Å; F80-R84 PolarHBondContact O-N 3.43Å; F80-L217 HydrophobicContact CD2-CD2 4.5Å; F80-L217 HydrophobicContact CE2-CD2 3.69Å; F80-L217 HydrophobicContact CZ-CD2 4.49Å; F80-Y220 HydrophobicContact CB-CD1 4.47Å; F80-Y220 HydrophobicContact CB-CE1 3.9Å; F80-Y220 HydrophobicContact CD2-CD2 4.47Å; F80-Y220 HydrophobicContact CD2-CE1 4.26Å; F80-Y220 HydrophobicContact CD2-CE2 4.19Å
81L90.4Very high88.4Confident0 Ų033.1 Ų33.10%019%0.194CC..Hα-helixtrans-57.7-43.9177.7-71.8170000111.5V33 A37 I45 M55 P65 L66 A69 S77 Q83 R84 C86V33-L81 HydrophobicContact CG1-CD2 3.92Å; A37-L81 HydrophobicContact CB-CD1 4.44Å; I45-L81 HydrophobicContact CG2-CD2 3.82Å; I45-L81 HydrophobicContact CG2-CG 4.34Å; M55-L81 HydrophobicContact CB-CD2 4.12Å; M55-L81 HydrophobicContact CG-CD2 4.23Å; M55-L81 HydrophobicContact SD-CD2 3.6Å; M55-L81 VanDerWaalsContact SD-CD2 3.6Å; P65-L81 HydrophobicContact CB-CD1 4.16Å; P65-L81 HydrophobicContact CB-CD2 4.41Å; L66-L81 HydrophobicContact CD1-CB 4.13Å; A69-L81 HydrophobicContact CB-CD1 3.81Å; S77-L81 WeakPolarHBondContact O-CB 3.35Å; S77-L81 VanDerWaalsContact O-CG 3.27Å; S77-L81 WeakPolarHBondContact O-CG 3.33Å; S77-L81 PolarHBondContact O-N 3.44Å; L81-Q83 VanDerWaalsContact C-N 3.28Å; L81-Q83 PolarHBondContact O-N 3.39Å; L81-R84 PolarHBondContact O-N 2.95Å; L81-C86 HydrophobicContact CB-CB 4.18Å; L81-C86 WeakPolarHBondContact O-CB 3.37Å; L81-C86 PolarHBondContact O-N 3.07Å
82A88.6Confident88.4Confident19 Ų1932.1 Ų32.116%0.15718%0.184CC..Hα-helixtrans-64.8-31.6177.300000113.4C78 F80 A117C78-A82 WeakPolarHBondContact O-CB 3.48Å; C78-A82 PolarHBondContact O-N 3.25Å; F80-A82 VanDerWaalsContact C-N 3.31Å; F80-A82 PolarHBondContact O-N 2.84Å; A82-A117 HydrophobicContact CB-CB 3.49Å; A82-A117 VanDerWaalsContact CB-CB 3.49Å
83Q86.8Confident88.4Confident32 Ų3235.9 Ų35.915%0.1519%0.191CC..Hα-helixtrans-75.2-27.5175.7-81.5-169.22.300113.4K79 F80 L81 G85 V214 F215 Y220K79-Q83 WeakPolarHBondContact O-CG 3.21Å; K79-Q83 PolarHBondContact O-N 2.93Å; K79-Q83 VanDerWaalsContact O-N 3.16Å; F80-Q83 WeakPolarHBondContact O-CB 3.37Å; F80-Q83 PolarHBondContact O-N 3.4Å; L81-Q83 VanDerWaalsContact C-N 3.28Å; L81-Q83 PolarHBondContact O-N 3.39Å; Q83-G85 VanDerWaalsContact C-N 3.27Å; Q83-G85 PolarHBondContact O-N 2.94Å; Q83-V214 PolarHBondContact NE2-O 2.91Å; Q83-V214 PolarHBondContact OE1-O 3.4Å; Q83-F215 HydrophobicContact CB-CD1 3.76Å; Q83-F215 HydrophobicContact CB-CE1 3.83Å; Q83-F215 HydrophobicContact CG-CD1 3.84Å; Q83-F215 HydrophobicContact CG-CE1 3.74Å; Q83-Y220 PolarHBondContact NE2-OH 3.3Å; Q83-Y220 PolarHBondContact OE1-OH 3.01Å
84R86.6Confident88.2Confident5 Ų541.9 Ų41.92%0.01921%0.213CC..THydrogen-bonded Turntrans-92.425.9178-63.1-66.6-176.9-94.45112.7M55 F80 L81 L136 D143 F215M55-R84 HydrophobicContact CG-CB 4.14Å; F80-R84 HydrophobicContact CD1-CG 4.38Å; F80-R84 HydrophobicContact CE1-CG 3.98Å; F80-R84 HydrophobicContact CE2-CG 4.29Å; F80-R84 HydrophobicContact CZ-CG 3.93Å; F80-R84 PolarHBondContact O-N 3.43Å; L81-R84 PolarHBondContact O-N 2.95Å; R84-L136 HydrophobicContact CB-CD1 4.48Å; R84-L136 VanDerWaalsContact O-CD1 3.25Å; R84-L136 WeakPolarHBondContact O-CD1 3.35Å; R84-D143 IonicContact CZ-OD1 3.43Å; R84-D143 IonicContact CZ-OD2 2.7Å; R84-D143 IonicContact NE-OD1 2.74Å; R84-D143 IonicContact NE-OD2 3.63Å; R84-D143 PolarHBondContact NE-OD2 3.39Å; R84-D143 IonicContact NH2-OD1 3.29Å; R84-D143 PolarHBondContact NH2-OD1 3.43Å; R84-D143 IonicContact NH2-OD2 3.56Å; R84-D143 PolarHBondContact NH2-OD2 3.49Å; R84-F215 PolarHBondContact NH2-O 3.11Å
85G80.5Confident88.1Confident37 Ų3741.8 Ų41.838%0.38122%0.22SC..THydrogen-bonded Turntrans94.9-0.7170.100000116.1Q83 N87Q83-G85 VanDerWaalsContact C-N 3.27Å; Q83-G85 PolarHBondContact O-N 2.94Å; G85-N87 PolarHBondContact O-N 3.37Å
86C85.8Confident88.1Confident0 Ų043.1 Ų43.10%022%0.224CC..  trans-69.2121.2175.9-160.60000110.7M55 L81 P88M55-C86 PolarHBondContact O-SG 2.88Å; L81-C86 HydrophobicContact CB-CB 4.18Å; L81-C86 WeakPolarHBondContact O-CB 3.37Å; L81-C86 PolarHBondContact O-N 3.07Å; C86-P88 VanDerWaalsContact O-CD 3.28Å; C86-P88 WeakPolarHBondContact O-CD 3.41Å
87N85.4Confident88.2Confident51 Ų5140.9 Ų40.927%0.27321%0.213SC..  trans-76.5115.8-176.2179.40.5000111.2G85 K89 V90 F121G85-N87 PolarHBondContact O-N 3.37Å; N87-K89 PolarHBondContact O-N 3.38Å; N87-K89 WeakPolarHBondContact OD1-CB 3.25Å; N87-K89 PolarHBondContact OD1-N 3.07Å; N87-V90 HydrophobicContact CB-CG2 3.83Å; N87-F121 HydrophobicContact CB-CE1 4.35Å; N87-F121 HydrophobicContact CB-CE2 3.99Å; N87-F121 HydrophobicContact CB-CZ 3.73Å; N87-F121 WeakPolarHBondContact OD1-CE1 3.46Å
88P87.3Confident88.1Confident3 Ų340.9 Ų40.92%0.01921%0.213CC..THydrogen-bonded Turntrans-75.3-6.4-178.533.1-37.1000114.3L66 C86 A117 E118 F121L66-P88 HydrophobicContact CD2-CB 3.79Å; C86-P88 VanDerWaalsContact O-CD 3.28Å; C86-P88 WeakPolarHBondContact O-CD 3.41Å; P88-A117 HydrophobicContact CB-CB 4.36Å; P88-A117 HydrophobicContact CG-CB 4.3Å; P88-E118 HydrophobicContact CB-CG 3.95Å; P88-E118 HydrophobicContact CG-CG 4.1Å; P88-F121 HydrophobicContact CG-CB 4.14Å; P88-F121 HydrophobicContact CG-CG 4.41Å
89K86.3Confident88.2Confident114 Ų11445.1 Ų45.150%0.49623%0.229SC..THydrogen-bonded Turntrans-97.6-1-179-61.5-175.1177.1-176.40113.8N87N87-K89 PolarHBondContact O-N 3.38Å; N87-K89 WeakPolarHBondContact OD1-CB 3.25Å; N87-K89 PolarHBondContact OD1-N 3.07Å
90V88.3Confident88.2Confident30 Ų3046 Ų4618%0.18223%0.234CC..  trans-66138.9173.4178.90000108.3T64 H67 N87T64-V90 HydrophobicContact CG2-CB 4.26Å; T64-V90 HydrophobicContact CG2-CG1 4.13Å; T64-V90 HydrophobicContact CG2-CG2 4.43Å; H67-V90 PolarHBondContact CE1-O 3.4Å; H67-V90 PolarHBondContact NE2-O 3.11Å; H67-V90 VanDerWaalsContact NE2-O 3.14Å; N87-V90 HydrophobicContact CB-CG2 3.83Å
91K90.4Very high88.2Confident123 Ų12346.9 Ų46.954%0.53524%0.238SC..BIsolated β-bridgetrans-106.5139.4175.7-66.1179.6174.2-173.10108.7G95 L96 L97K91-G95 WeakPolarHBondContact CD-O 3.22Å; K91-L96 WeakPolarHBondContact CA-O 3.4Å; K91-L97 HydrophobicContact CD-CD1 4.32Å; K91-L97 HydrophobicContact CG-CD1 3.86Å; K91-L97 HydrophobicContact CG-CG 4.17Å
92N89.9Confident88.3Confident12 Ų1246.9 Ų46.96%0.06424%0.238CC..  trans-69.6177.7170.271.6-7.1000111.2C63 E94 G95 L96C63-N92 VanDerWaalsContact SG-CB 3.52Å; N92-E94 PolarHBondContact ND2-OE2 2.92Å; N92-E94 PolarHBondContact O-N 3.45Å; N92-E94 WeakPolarHBondContact OD1-CA 3.33Å; N92-E94 WeakPolarHBondContact OD1-CB 3.46Å; N92-E94 PolarHBondContact OD1-N 3.28Å; N92-E94 VanDerWaalsContact OD1-N 3.14Å; N92-G95 PolarHBondContact O-N 3.38Å; N92-G95 PolarHBondContact OD1-N 3.4Å; N92-G95 VanDerWaalsContact OD1-N 3.09Å; N92-L96 PolarHBondContact N-O 3.29Å; N92-L96 VanDerWaalsContact N-O 3.08Å; N92-L96 WeakPolarHBondContact OD1-CA 3.27Å; N92-L96 WeakPolarHBondContact OD1-CB 3.25Å; N92-L96 PolarHBondContact OD1-N 3.36Å; N92-L96 PolarHBondContact OD1-O 3.15Å
93K88.7Confident88.4Confident128 Ų12853.1 Ų53.156%0.55726%0.262SS*.THydrogen-bonded Turntrans-53.8-31.7173.8-82.2179.8-178.2156.50114.1M60 D61 G95M60-K93 WeakPolarHBondContact O-CE 3.5Å; M60-K93 PolarHBondContact O-NZ 2.91Å; D61-K93 HydrophobicContact CB-CD 4.4Å; D61-K93 WeakPolarHBondContact O-CG 3.45Å; D61-K93 PolarHBondContact O-N 3.09Å; D61-K93 IonicContact OD1-NZ 2.65Å; D61-K93 PolarHBondContact OD1-NZ 3.42Å; K93-G95 PolarHBondContact O-N 3.35Å
94E84.6Confident88.6Confident148 Ų14856.9 Ų56.969%0.69228%0.283SS*.THydrogen-bonded Turntrans-78.5-1.8178.2-55.8167.1160.700112.6N92 L96N92-E94 PolarHBondContact ND2-OE2 2.92Å; N92-E94 PolarHBondContact O-N 3.45Å; N92-E94 WeakPolarHBondContact OD1-CA 3.33Å; N92-E94 WeakPolarHBondContact OD1-CB 3.46Å; N92-E94 PolarHBondContact OD1-N 3.28Å; N92-E94 VanDerWaalsContact OD1-N 3.14Å; E94-L96 VanDerWaalsContact C-N 3.26Å; E94-L96 HydrophobicContact CB-CD1 4.28Å; E94-L96 HydrophobicContact CB-CG 4.11Å; E94-L96 PolarHBondContact O-N 3.29Å
95G87.8Confident88.6Confident33 Ų3363 Ų6334%0.3431%0.31SS..SBendtrans78.17-178.500000114.4K91 N92 K93K91-G95 WeakPolarHBondContact CD-O 3.22Å; N92-G95 PolarHBondContact O-N 3.38Å; N92-G95 PolarHBondContact OD1-N 3.4Å; N92-G95 VanDerWaalsContact OD1-N 3.09Å; K93-G95 PolarHBondContact O-N 3.35Å
96L90.3Very high89Confident49 Ų4963.8 Ų63.826%0.25732%0.318SS..  trans-85.2137.4-179.1-57.7178.7000111.3K91 N92 E94 Q100 I101K91-L96 WeakPolarHBondContact CA-O 3.4Å; N92-L96 PolarHBondContact N-O 3.29Å; N92-L96 VanDerWaalsContact N-O 3.08Å; N92-L96 WeakPolarHBondContact OD1-CA 3.27Å; N92-L96 WeakPolarHBondContact OD1-CB 3.25Å; N92-L96 PolarHBondContact OD1-N 3.36Å; N92-L96 PolarHBondContact OD1-O 3.15Å; E94-L96 VanDerWaalsContact C-N 3.26Å; E94-L96 HydrophobicContact CB-CD1 4.28Å; E94-L96 HydrophobicContact CB-CG 4.11Å; E94-L96 PolarHBondContact O-N 3.29Å; L96-Q100 HydrophobicContact CD2-CB 4.44Å; L96-I101 HydrophobicContact CB-CG1 4.15Å; L96-I101 HydrophobicContact CD1-CG1 4.44Å
97L91.3Very high89.3Confident23 Ų2366.3 Ų66.312%0.1233%0.331CS..BIsolated β-bridgetrans-83.6153.7167.4-7384.7000110.1K91 R99 Q100 I101K91-L97 HydrophobicContact CD-CD1 4.32Å; K91-L97 HydrophobicContact CG-CD1 3.86Å; K91-L97 HydrophobicContact CG-CG 4.17Å; L97-R99 PolarHBondContact O-N 3.44Å; L97-Q100 WeakPolarHBondContact O-CA 3.48Å; L97-Q100 WeakPolarHBondContact O-CB 3.45Å; L97-Q100 PolarHBondContact O-N 3.2Å; L97-I101 PolarHBondContact O-N 3.11Å; L97-I101 VanDerWaalsContact O-N 3.08Å
98A90.2Very high89.5Confident1 Ų172.5 Ų72.51%0.00836%0.356CS..Hα-helixtrans-48.5-36171.400000113.4L66 H67 A70 I101 A102 L114L66-A98 HydrophobicContact CG-CB 4.14Å; H67-A98 PolarHBondContact CD2-N 2.78Å; H67-A98 PolarHBondContact NE2-N 3.39Å; A70-A98 HydrophobicContact CB-CB 3.99Å; A70-A98 VanDerWaalsContact CB-O 3.23Å; A70-A98 WeakPolarHBondContact CB-O 3.37Å; A98-I101 PolarHBondContact O-N 3.43Å; A98-A102 PolarHBondContact O-N 2.89Å; A98-L114 HydrophobicContact CB-CD1 4.44Å; A98-L114 HydrophobicContact CB-CD2 4.35Å
99R91.6Very high89.6Confident88 Ų8875.3 Ų75.333%0.33238%0.379SS..Hα-helixtrans-66.8-36.4175.7-172.8-170.968.5-164.5-2.1113.3L97 K103 I111 L114 E118L97-R99 PolarHBondContact O-N 3.44Å; R99-K103 PolarHBondContact O-N 3.46Å; R99-K103 VanDerWaalsContact O-N 3.12Å; R99-I111 HydrophobicContact CG-CG2 4.36Å; R99-L114 HydrophobicContact CB-CB 4.26Å; R99-L114 HydrophobicContact CB-CD1 4.45Å; R99-L114 HydrophobicContact CG-CB 4.44Å; R99-E118 WeakPolarHBondContact CD-OE1 3.3Å; R99-E118 IonicContact CZ-OE1 3.42Å; R99-E118 IonicContact CZ-OE2 2.66Å; R99-E118 IonicContact NE-OE1 3.92Å; R99-E118 IonicContact NE-OE2 3.55Å; R99-E118 IonicContact NH1-OE1 3.58Å; R99-E118 PolarHBondContact NH1-OE1 3.19Å; R99-E118 IonicContact NH1-OE2 2.86Å; R99-E118 PolarHBondContact NH1-OE2 2.93Å
100Q90.9Very high89.8Confident69 Ų6970 Ų7032%0.32236%0.356SS..Hα-helixtrans-69.7-44.1177.1-72.8169.4-4200109.9L96 L97 A102 K103 D104L96-Q100 HydrophobicContact CD2-CB 4.44Å; L97-Q100 WeakPolarHBondContact O-CA 3.48Å; L97-Q100 WeakPolarHBondContact O-CB 3.45Å; L97-Q100 PolarHBondContact O-N 3.2Å; Q100-A102 VanDerWaalsContact C-N 3.34Å; Q100-A102 PolarHBondContact O-N 3.49Å; Q100-K103 WeakPolarHBondContact O-CA 3.39Å; Q100-K103 VanDerWaalsContact O-CB 3.24Å; Q100-K103 WeakPolarHBondContact O-CB 3.17Å; Q100-K103 PolarHBondContact O-N 3.42Å; Q100-D104 VanDerWaalsContact O-CG 3.25Å; Q100-D104 PolarHBondContact O-N 2.82Å
101I90.6Very high89.9Confident20 Ų2070.6 Ų70.610%0.10336%0.358CS..Hα-helixtrans-54.1-50.4172.5-60.6178.3000110.7H67 A71 L96 L97 A98 K103 D104 F105H67-I101 HydrophobicContact CB-CD1 4.04Å; A71-I101 HydrophobicContact CB-CG2 3.93Å; L96-I101 HydrophobicContact CB-CG1 4.15Å; L96-I101 HydrophobicContact CD1-CG1 4.44Å; L97-I101 PolarHBondContact O-N 3.11Å; L97-I101 VanDerWaalsContact O-N 3.08Å; A98-I101 PolarHBondContact O-N 3.43Å; I101-K103 PolarHBondContact O-N 3.15Å; I101-D104 PolarHBondContact O-N 3.3Å; I101-D104 VanDerWaalsContact O-N 3.15Å; I101-F105 HydrophobicContact CG2-CD2 3.89Å; I101-F105 HydrophobicContact CG2-CE2 3.77Å; I101-F105 VanDerWaalsContact O-CD2 3.23Å; I101-F105 WeakPolarHBondContact O-CD2 3.34Å; I101-F105 PolarHBondContact O-N 3.39Å; I101-F105 VanDerWaalsContact O-N 3.17Å
102A91.7Very high90Very high0 Ų071.1 Ų71.10%036%0.36CS..Hα-helixtrans-61.9-26.6176.500000113.8A70 A98 Q100 G106 L107 A110 I111 L114A70-A102 HydrophobicContact CB-CB 4.19Å; A98-A102 PolarHBondContact O-N 2.89Å; Q100-A102 VanDerWaalsContact C-N 3.34Å; Q100-A102 PolarHBondContact O-N 3.49Å; A102-G106 PolarHBondContact O-N 2.94Å; A102-L107 PolarHBondContact O-N 3.27Å; A102-A110 HydrophobicContact CB-CB 4.3Å; A102-I111 HydrophobicContact CB-CG1 3.82Å; A102-L114 HydrophobicContact CB-CD1 4.07Å
103K92.1Very high89.9Confident150 Ų15072.4 Ų72.465%0.65237%0.366SS*.Hα-helixtrans-73.5-41.7175.8-172.1-171.5174.2-165.20110.9R99 Q100 I101 F105 G106 I111R99-K103 PolarHBondContact O-N 3.46Å; R99-K103 VanDerWaalsContact O-N 3.12Å; Q100-K103 WeakPolarHBondContact O-CA 3.39Å; Q100-K103 VanDerWaalsContact O-CB 3.24Å; Q100-K103 WeakPolarHBondContact O-CB 3.17Å; Q100-K103 PolarHBondContact O-N 3.42Å; I101-K103 PolarHBondContact O-N 3.15Å; K103-F105 VanDerWaalsContact C-N 3.28Å; K103-F105 PolarHBondContact O-N 3.05Å; K103-G106 PolarHBondContact O-N 3.05Å; K103-I111 HydrophobicContact CB-CD1 4.21Å
104D90.2Very high90Very high111 Ų11166.4 Ų66.459%0.59434%0.34SS*.Hα-helixtrans-65.3-35.7-179.4-58.3-23.4000110.8Q100 I101 G106Q100-D104 VanDerWaalsContact O-CG 3.25Å; Q100-D104 PolarHBondContact O-N 2.82Å; I101-D104 PolarHBondContact O-N 3.3Å; I101-D104 VanDerWaalsContact O-N 3.15Å; D104-G106 VanDerWaalsContact C-N 3.35Å; D104-G106 PolarHBondContact O-N 3.29Å
105F87.4Confident90.2Very high134 Ų13464.1 Ų64.159%0.58833%0.328SS*.THydrogen-bonded Turntrans-81.8-0.9171.6-70.6-72.6000115A71 I101 K103 L107A71-F105 HydrophobicContact CB-CD2 4.44Å; A71-F105 HydrophobicContact CB-CE2 4.04Å; I101-F105 HydrophobicContact CG2-CD2 3.89Å; I101-F105 HydrophobicContact CG2-CE2 3.77Å; I101-F105 VanDerWaalsContact O-CD2 3.23Å; I101-F105 WeakPolarHBondContact O-CD2 3.34Å; I101-F105 PolarHBondContact O-N 3.39Å; I101-F105 VanDerWaalsContact O-N 3.17Å; K103-F105 VanDerWaalsContact C-N 3.28Å; K103-F105 PolarHBondContact O-N 3.05Å; F105-L107 HydrophobicContact CB-CD1 3.6Å; F105-L107 HydrophobicContact CB-CG 3.98Å; F105-L107 HydrophobicContact CG-CD1 4.48Å; F105-L107 PolarHBondContact O-N 3.36Å
106G88.8Confident90.2Very high53 Ų5367.2 Ų67.255%0.54633%0.332SS..THydrogen-bonded Turntrans73.518.1176.900000116.3A102 K103 D104 K108A102-G106 PolarHBondContact O-N 2.94Å; K103-G106 PolarHBondContact O-N 3.05Å; D104-G106 VanDerWaalsContact C-N 3.35Å; D104-G106 PolarHBondContact O-N 3.29Å; G106-K108 PolarHBondContact O-N 3.07Å; G106-K108 VanDerWaalsContact O-N 3.1Å
107L91.1Very high90Very high52 Ų5265.7 Ų65.727%0.27233%0.326SS..  trans-86.880.1-168.6-64.4160.9000113.1A70 G73 A102 F105 A109 A110 I111A70-L107 WeakPolarHBondContact O-CD1 3.35Å; G73-L107 VanDerWaalsContact CA-CD1 3.42Å; A102-L107 PolarHBondContact O-N 3.27Å; F105-L107 HydrophobicContact CB-CD1 3.6Å; F105-L107 HydrophobicContact CB-CG 3.98Å; F105-L107 HydrophobicContact CG-CD1 4.48Å; F105-L107 PolarHBondContact O-N 3.36Å; L107-A109 VanDerWaalsContact C-N 3.32Å; L107-A109 PolarHBondContact O-N 2.98Å; L107-A109 VanDerWaalsContact O-N 3.16Å; L107-A110 HydrophobicContact CB-CB 4.34Å; L107-A110 PolarHBondContact O-N 2.93Å; L107-I111 VanDerWaalsContact O-CG1 3.28Å; L107-I111 WeakPolarHBondContact O-CG1 3.2Å; L107-I111 PolarHBondContact O-N 2.99Å; L107-I111 VanDerWaalsContact O-N 3.16Å
108K90.9Very high89.8Confident182 Ų18265.6 Ų65.679%0.79133%0.325SS*.Hα-helixtrans-53.9-37.4-173.5-64.1-179.1-177174.40115.3G106 K112G106-K108 PolarHBondContact O-N 3.07Å; G106-K108 VanDerWaalsContact O-N 3.1Å; K108-K112 PolarHBondContact O-N 3.38Å
109A89.6Confident89.5Confident62 Ų6273.2 Ų73.251%0.51235%0.353SS..Hα-helixtrans-70.6-46.1-177.900000112.4A75 L107 K112 E113A75-A109 HydrophobicContact CB-CB 4Å; L107-A109 VanDerWaalsContact C-N 3.32Å; L107-A109 PolarHBondContact O-N 2.98Å; L107-A109 VanDerWaalsContact O-N 3.16Å; A109-K112 PolarHBondContact O-N 3.23Å; A109-E113 PolarHBondContact O-N 3.33Å
110A89.8Confident88.8Confident1 Ų171.8 Ų71.81%0.00836%0.361CS..Hα-helixtrans-63.1-41.9176.700000111.3A102 L107 K112 E113 L114A102-A110 HydrophobicContact CB-CB 4.3Å; L107-A110 HydrophobicContact CB-CB 4.34Å; L107-A110 PolarHBondContact O-N 2.93Å; A110-K112 VanDerWaalsContact C-N 3.29Å; A110-K112 PolarHBondContact O-N 2.83Å; A110-E113 PolarHBondContact O-N 3.48Å; A110-L114 WeakPolarHBondContact O-CB 3.46Å; A110-L114 VanDerWaalsContact O-CG 3.31Å; A110-L114 WeakPolarHBondContact O-CG 3.48Å; A110-L114 PolarHBondContact O-N 3.11Å
111I90.5Very high87.9Confident44 Ų4472 Ų7223%0.22636%0.361CS..Hα-helixtrans-56.8-42.6176.2-64.1165.4000111.6R99 A102 K103 L107 K115R99-I111 HydrophobicContact CG-CG2 4.36Å; A102-I111 HydrophobicContact CB-CG1 3.82Å; K103-I111 HydrophobicContact CB-CD1 4.21Å; L107-I111 VanDerWaalsContact O-CG1 3.28Å; L107-I111 WeakPolarHBondContact O-CG1 3.2Å; L107-I111 PolarHBondContact O-N 2.99Å; L107-I111 VanDerWaalsContact O-N 3.16Å; I111-K115 VanDerWaalsContact O-CB 3.28Å; I111-K115 WeakPolarHBondContact O-CB 3.29Å; I111-K115 PolarHBondContact O-N 3.32Å
112K91.6Very high86.5Confident133 Ų13373.5 Ų73.558%0.57838%0.381SS*.Hα-helixtrans-64.1-42.3-179.8-175.4178.2-179-179.30111.8K108 A109 A110 K116K108-K112 PolarHBondContact O-N 3.38Å; A109-K112 PolarHBondContact O-N 3.23Å; A110-K112 VanDerWaalsContact C-N 3.29Å; A110-K112 PolarHBondContact O-N 2.83Å; K112-K116 WeakPolarHBondContact O-CG 3.08Å; K112-K116 PolarHBondContact O-N 2.96Å
113E89.4Confident85Confident39 Ų3981.4 Ų81.418%0.18242%0.416CS..Hα-helixtrans-73.3-40.8178.7-65.5-52.7127.100112A75 K79 A109 A110 K115 K116 A117A75-E113 HydrophobicContact CB-CG 4.34Å; K79-E113 HydrophobicContact CB-CB 4.33Å; K79-E113 HydrophobicContact CB-CG 4.44Å; A109-E113 PolarHBondContact O-N 3.33Å; A110-E113 PolarHBondContact O-N 3.48Å; E113-K115 VanDerWaalsContact C-N 3.34Å; E113-K115 PolarHBondContact O-N 3.46Å; E113-K116 WeakPolarHBondContact O-CB 3.37Å; E113-K116 PolarHBondContact O-N 2.9Å; E113-K116 VanDerWaalsContact O-N 3.08Å; E113-K116 IonicContact OE1-NZ 2.79Å; E113-K116 PolarHBondContact OE1-NZ 3.02Å; E113-K116 IonicContact OE2-NZ 2.7Å; E113-A117 PolarHBondContact O-N 3.41Å
114L89.5Confident83.2Confident2 Ų278.2 Ų78.21%0.0141%0.412CS..Hα-helixtrans-61.1-41174.3-70.4168.4000111.8L66 A70 C78 A98 R99 A102 A110 K116 A117 E118L66-L114 HydrophobicContact CD1-CD2 3.72Å; L66-L114 HydrophobicContact CD2-CD2 4.02Å; L66-L114 HydrophobicContact CG-CD2 3.88Å; A70-L114 HydrophobicContact CB-CD1 3.83Å; C78-L114 HydrophobicContact CB-CD2 4.07Å; C78-L114 HydrophobicContact CB-CG 4.23Å; A98-L114 HydrophobicContact CB-CD1 4.44Å; A98-L114 HydrophobicContact CB-CD2 4.35Å; R99-L114 HydrophobicContact CB-CB 4.26Å; R99-L114 HydrophobicContact CB-CD1 4.45Å; R99-L114 HydrophobicContact CG-CB 4.44Å; A102-L114 HydrophobicContact CB-CD1 4.07Å; A110-L114 WeakPolarHBondContact O-CB 3.46Å; A110-L114 VanDerWaalsContact O-CG 3.31Å; A110-L114 WeakPolarHBondContact O-CG 3.48Å; A110-L114 PolarHBondContact O-N 3.11Å; L114-K116 VanDerWaalsContact C-N 3.28Å; L114-K116 PolarHBondContact O-N 3.5Å; L114-A117 WeakPolarHBondContact O-CB 3.14Å; L114-A117 PolarHBondContact O-N 2.94Å; L114-E118 WeakPolarHBondContact O-CG 3.44Å; L114-E118 PolarHBondContact O-N 3.15Å
115K88.4Confident81.2Confident100 Ų10082.1 Ų82.144%0.43542%0.424SS..Hα-helixtrans-62.9-33.5174.4-171.1173.9-174.1173.60112.6I111 E113 R119I111-K115 VanDerWaalsContact O-CB 3.28Å; I111-K115 WeakPolarHBondContact O-CB 3.29Å; I111-K115 PolarHBondContact O-N 3.32Å; E113-K115 VanDerWaalsContact C-N 3.34Å; E113-K115 PolarHBondContact O-N 3.46Å; K115-R119 WeakPolarHBondContact O-CD 3.45Å; K115-R119 VanDerWaalsContact O-CG 3.25Å; K115-R119 WeakPolarHBondContact O-CG 3.33Å; K115-R119 PolarHBondContact O-N 3.46Å
116K87.7Confident78.9Confident99 Ų9985.2 Ų85.243%0.4344%0.437SS..Hα-helixtrans-71.8-42.8173.2-70.5170.5-177.3171.70111.1K112 E113 L114 R119 A120K112-K116 WeakPolarHBondContact O-CG 3.08Å; K112-K116 PolarHBondContact O-N 2.96Å; E113-K116 WeakPolarHBondContact O-CB 3.37Å; E113-K116 PolarHBondContact O-N 2.9Å; E113-K116 VanDerWaalsContact O-N 3.08Å; E113-K116 IonicContact OE1-NZ 2.79Å; E113-K116 PolarHBondContact OE1-NZ 3.02Å; E113-K116 IonicContact OE2-NZ 2.7Å; L114-K116 VanDerWaalsContact C-N 3.28Å; L114-K116 PolarHBondContact O-N 3.5Å; K116-R119 PolarHBondContact O-N 3.37Å; K116-A120 WeakPolarHBondContact O-CB 3.49Å; K116-A120 PolarHBondContact O-N 3.5Å
117A86.1Confident76.6Confident16 Ų1686.3 Ų86.313%0.13244%0.436CS..Hα-helixtrans-58.5-48.117700000112A82 P88 E113 L114 R119 A120 F121A82-A117 HydrophobicContact CB-CB 3.49Å; A82-A117 VanDerWaalsContact CB-CB 3.49Å; P88-A117 HydrophobicContact CB-CB 4.36Å; P88-A117 HydrophobicContact CG-CB 4.3Å; E113-A117 PolarHBondContact O-N 3.41Å; L114-A117 WeakPolarHBondContact O-CB 3.14Å; L114-A117 PolarHBondContact O-N 2.94Å; A117-R119 VanDerWaalsContact C-N 3.29Å; A117-R119 PolarHBondContact O-N 3.16Å; A117-A120 PolarHBondContact O-N 3.44Å; A117-A120 VanDerWaalsContact O-N 3.12Å; A117-F121 WeakPolarHBondContact O-CB 3.23Å; A117-F121 PolarHBondContact O-N 3.01Å
118E87.1Confident73.9Confident22 Ų2291.2 Ų91.210%0.10347%0.469CS..Hα-helixtrans-57.6-40.6176.7-71.6170.4167.500112.8P88 R99 L114 G122P88-E118 HydrophobicContact CB-CG 3.95Å; P88-E118 HydrophobicContact CG-CG 4.1Å; R99-E118 WeakPolarHBondContact CD-OE1 3.3Å; R99-E118 IonicContact CZ-OE1 3.42Å; R99-E118 IonicContact CZ-OE2 2.66Å; R99-E118 IonicContact NE-OE1 3.92Å; R99-E118 IonicContact NE-OE2 3.55Å; R99-E118 IonicContact NH1-OE1 3.58Å; R99-E118 PolarHBondContact NH1-OE1 3.19Å; R99-E118 IonicContact NH1-OE2 2.86Å; R99-E118 PolarHBondContact NH1-OE2 2.93Å; L114-E118 WeakPolarHBondContact O-CG 3.44Å; L114-E118 PolarHBondContact O-N 3.15Å; E118-G122 PolarHBondContact O-N 3.32Å
119R83.9Confident71Confident160 Ų16085.6 Ų85.660%0.60446%0.462SS*.Hα-helixtrans-69.1-38.2177-71.7170.2175.7-173.4-5.8112K115 K116 A117K115-R119 WeakPolarHBondContact O-CD 3.45Å; K115-R119 VanDerWaalsContact O-CG 3.25Å; K115-R119 WeakPolarHBondContact O-CG 3.33Å; K115-R119 PolarHBondContact O-N 3.46Å; K116-R119 PolarHBondContact O-N 3.37Å; A117-R119 VanDerWaalsContact C-N 3.29Å; A117-R119 PolarHBondContact O-N 3.16Å
120A77.4Confident68.4Low59 Ų5987 Ų8749%0.48848%0.482SS..Hα-helixtrans-70.1-41178.900000111.5K116 A117 G122 K123 S124K116-A120 WeakPolarHBondContact O-CB 3.49Å; K116-A120 PolarHBondContact O-N 3.5Å; A117-A120 PolarHBondContact O-N 3.44Å; A117-A120 VanDerWaalsContact O-N 3.12Å; A120-G122 VanDerWaalsContact C-N 3.26Å; A120-G122 PolarHBondContact O-N 3.17Å; A120-K123 PolarHBondContact O-N 3.04Å; A120-S124 PolarHBondContact O-N 2.98Å
121F72.9Confident66.3Low73 Ų7389.8 Ų89.832%0.3251%0.511SS..Hα-helixtrans-60.4-34.5178.7-159.9-94.1000112.4N87 P88 A117 K123N87-F121 HydrophobicContact CB-CE1 4.35Å; N87-F121 HydrophobicContact CB-CE2 3.99Å; N87-F121 HydrophobicContact CB-CZ 3.73Å; N87-F121 WeakPolarHBondContact OD1-CE1 3.46Å; P88-F121 HydrophobicContact CG-CB 4.14Å; P88-F121 HydrophobicContact CG-CG 4.41Å; A117-F121 WeakPolarHBondContact O-CB 3.23Å; A117-F121 PolarHBondContact O-N 3.01Å; F121-K123 VanDerWaalsContact C-N 3.3Å; F121-K123 PolarHBondContact O-N 3.11Å
122G60.3Low64.4Low52 Ų5292 Ų9254%0.53652%0.522SS..THydrogen-bonded Turntrans-69.8-19.4174.300000115.3E118 A120E118-G122 PolarHBondContact O-N 3.32Å; A120-G122 VanDerWaalsContact C-N 3.26Å; A120-G122 PolarHBondContact O-N 3.17Å
123K60.8Low62.6Low166 Ų16687.6 Ų87.672%0.72250%0.504SS*.THydrogen-bonded Turntrans-96.9-23.5-178.9-66.6-177.3178.9-171.80113.4A120 F121 K125 K126A120-K123 PolarHBondContact O-N 3.04Å; F121-K123 VanDerWaalsContact C-N 3.3Å; F121-K123 PolarHBondContact O-N 3.11Å; K123-K125 VanDerWaalsContact C-N 3.29Å; K123-K125 PolarHBondContact O-N 2.98Å; K123-K126 PolarHBondContact O-N 3.13Å
124S53.8Low61.2Low82 Ų8287.5 Ų87.557%0.57351%0.507SS*.G310 helixtrans-67.3-22.2-174.2-161.50000114.5A120 K126A120-S124 PolarHBondContact O-N 2.98Å; S124-K126 PolarHBondContact O-N 3.46Å
125K47.6Very low60.4Low194 Ų19491.2 Ų91.284%0.84353%0.527SS*.G310 helixtrans-73.3-4.9178.2-81.2-170173.9-171.70114.8K123K123-K125 VanDerWaalsContact C-N 3.29Å; K123-K125 PolarHBondContact O-N 2.98Å
126K39.9Very low60Low199 Ų19990.9 Ų90.987%0.86553%0.53SS*.G310 helixtrans-109.70.7-171.6-95.6-174.3176.5-176.20116.1K123 S124K123-K126 PolarHBondContact O-N 3.13Å; S124-K126 PolarHBondContact O-N 3.46Å
127S39.8Very low59.8Low76 Ų7688.2 Ų88.253%0.53152%0.517SS..  trans-120.969.2-176.269.20000113.3G129S127-G129 VanDerWaalsContact C-N 3.25Å; S127-G129 PolarHBondContact O-N 3.46Å
128T35.3Very low59.8Low155 Ų15587.5 Ų87.595%0.95151%0.511SS*.  trans-88.864.7156.534.80000108.8
129G29.8Very low59.8Low63 Ų6386.5 Ų86.565%0.64951%0.506SS*.SBendtrans-160.4103.3-177.800000112.1S127S127-G129 VanDerWaalsContact C-N 3.25Å; S127-G129 PolarHBondContact O-N 3.46Å
130G36Very low59.9Low91 Ų9180 Ų8094%0.93848%0.484SS*.SBendtrans30.593.2160.400000118.5
131G43.9Very low60.4Low60 Ų6077.1 Ų77.162%0.61946%0.461SS*.SBendtrans161125.8162.400000113.9
132M51Low61.2Low90 Ų9073.8 Ų73.844%0.44345%0.446SS..SBendtrans28.8110.4178.3-80.3-175.8172.600115.2S134 K212M132-S134 PolarHBondContact O-N 2.83Å; M132-K212 HydrophobicContact CB-CG 3.61Å; M132-K212 VanDerWaalsContact O-CE 3.23Å; M132-K212 WeakPolarHBondContact O-CE 3.42Å; M132-K212 HydrophobicContact SD-CG 4.42Å
133M54.3Low62.6Low42 Ų4271.6 Ų71.621%0.20742%0.422CS..  trans-49.3123.9-177.1-53.8-56.2-81.100111.1D135 W137 A138 M186 Y210M133-D135 WeakPolarHBondContact CE-OD2 3.49Å; M133-W137 HydrophobicContact CE-CH2 4.36Å; M133-W137 HydrophobicContact CE-CZ2 3.51Å; M133-A138 HydrophobicContact CB-CB 3.89Å; M133-M186 HydrophobicContact CE-CE 3.33Å; M133-M186 HydrophobicContact CE-SD 4.26Å; M133-M186 HydrophobicContact SD-CE 4.08Å; M133-Y210 WeakPolarHBondContact CB-O 3.33Å; M133-Y210 PolarHBondContact N-O 2.7Å
134S59.4Low64Low36 Ų3663.9 Ų63.925%0.25239%0.389SS..  trans-117.28.7174.8-171.30000110.9M132M132-S134 PolarHBondContact O-N 2.83Å
135D73.2Confident65.7Low80 Ų8060 Ų6043%0.42836%0.361SS..  trans-72.2148.3-176-58-33.5000109.7M133 W137 A138 L139M133-D135 WeakPolarHBondContact CE-OD2 3.49Å; D135-W137 VanDerWaalsContact C-N 3.26Å; D135-W137 HydrophobicContact CB-CG 4.42Å; D135-W137 PolarHBondContact O-N 3.19Å; D135-A138 PolarHBondContact O-N 3.3Å; D135-L139 PolarHBondContact O-N 3.48Å
136L79.5Confident67.6Low93 Ų9353 Ų5349%0.48733%0.333SS..Hα-helixtrans-59-39.6-171.5-174.759000111.9R84 A138 L139 T140R84-L136 HydrophobicContact CB-CD1 4.48Å; R84-L136 VanDerWaalsContact O-CD1 3.25Å; R84-L136 WeakPolarHBondContact O-CD1 3.35Å; L136-A138 VanDerWaalsContact C-N 3.32Å; L136-A138 PolarHBondContact O-N 3.4Å; L136-L139 WeakPolarHBondContact O-CB 3.49Å; L136-L139 PolarHBondContact O-N 3.14Å; L136-L139 VanDerWaalsContact O-N 3.16Å; L136-T140 WeakPolarHBondContact O-CG2 3.39Å; L136-T140 PolarHBondContact O-N 3.43Å; L136-T140 PolarHBondContact O-OG1 3.48Å
137W84.3Confident69.9Low44 Ų4445.1 Ų45.117%0.16730%0.299CS..Hα-helixtrans-62-35.9177.870.4-100.6000113M133 D135 L139 T140 L141 V179 Q183 M186 V187M133-W137 HydrophobicContact CE-CH2 4.36Å; M133-W137 HydrophobicContact CE-CZ2 3.51Å; D135-W137 VanDerWaalsContact C-N 3.26Å; D135-W137 HydrophobicContact CB-CG 4.42Å; D135-W137 PolarHBondContact O-N 3.19Å; W137-L139 VanDerWaalsContact C-N 3.31Å; W137-L139 PolarHBondContact O-N 3.4Å; W137-T140 VanDerWaalsContact CA-OG1 3.31Å; W137-T140 WeakPolarHBondContact CA-OG1 3.45Å; W137-T140 PolarHBondContact O-N 3.47Å; W137-T140 PolarHBondContact O-OG1 2.86Å; W137-L141 WeakPolarHBondContact O-CB 3.41Å; W137-L141 PolarHBondContact O-N 3.46Å; W137-V179 HydrophobicContact CE3-CG1 4.25Å; W137-V179 HydrophobicContact CZ3-CG1 4.32Å; W137-Q183 HydrophobicContact CD2-CB 4.26Å; W137-Q183 HydrophobicContact CD2-CG 4.06Å; W137-Q183 HydrophobicContact CE3-CB 3.87Å; W137-Q183 HydrophobicContact CE3-CG 4.18Å; W137-Q183 HydrophobicContact CH2-CB 3.7Å; W137-Q183 HydrophobicContact CH2-CG 4.19Å; W137-Q183 WeakPolarHBondContact CH2-O 3.18Å; W137-Q183 HydrophobicContact CZ2-CB 4.06Å; W137-Q183 HydrophobicContact CZ2-CG 4.03Å; W137-Q183 HydrophobicContact CZ3-CB 3.61Å; W137-Q183 HydrophobicContact CZ3-CG 4.28Å; W137-M186 HydrophobicContact CZ2-SD 4.2Å; W137-V187 HydrophobicContact CH2-CG2 4Å; W137-V187 HydrophobicContact CZ3-CG2 3.94Å
138A85.1Confident72.1Confident0 Ų043.1 Ų43.10%028%0.281CS..Hα-helixtrans-73.2-29.9178.900000111.3M133 D135 L136 H142M133-A138 HydrophobicContact CB-CB 3.89Å; D135-A138 PolarHBondContact O-N 3.3Å; L136-A138 VanDerWaalsContact C-N 3.32Å; L136-A138 PolarHBondContact O-N 3.4Å; A138-H142 PolarHBondContact O-N 3.43Å; A138-H142 VanDerWaalsContact O-N 3.14Å
139L87.1Confident74.6Confident2 Ų239.9 Ų39.91%0.0126%0.255CS..Hα-helixtrans-75-39.6175-62.4178.8000111.8D135 L136 W137 H142 D143 I211 F215D135-L139 PolarHBondContact O-N 3.48Å; L136-L139 WeakPolarHBondContact O-CB 3.49Å; L136-L139 PolarHBondContact O-N 3.14Å; L136-L139 VanDerWaalsContact O-N 3.16Å; W137-L139 VanDerWaalsContact C-N 3.31Å; W137-L139 PolarHBondContact O-N 3.4Å; L139-H142 VanDerWaalsContact O-CB 3.3Å; L139-H142 WeakPolarHBondContact O-CB 3.39Å; L139-H142 PolarHBondContact O-N 3.1Å; L139-D143 VanDerWaalsContact O-CG 3.3Å; L139-D143 PolarHBondContact O-N 3.47Å; L139-I211 HydrophobicContact CD2-CG2 3.98Å; L139-F215 HydrophobicContact CD1-CD1 3.96Å; L139-F215 HydrophobicContact CD1-CE1 4.44Å; L139-F215 HydrophobicContact CD2-CB 3.57Å; L139-F215 HydrophobicContact CD2-CD1 4.29Å; L139-F215 HydrophobicContact CD2-CG 4.08Å
140T86.9Confident77.2Confident22 Ų2240.4 Ų40.414%0.13525%0.253CS..Hα-helixtrans-66.1-41.5174.352.70000111.1L136 W137 H142 D143 W144L136-T140 WeakPolarHBondContact O-CG2 3.39Å; L136-T140 PolarHBondContact O-N 3.43Å; L136-T140 PolarHBondContact O-OG1 3.48Å; W137-T140 VanDerWaalsContact CA-OG1 3.31Å; W137-T140 WeakPolarHBondContact CA-OG1 3.45Å; W137-T140 PolarHBondContact O-N 3.47Å; W137-T140 PolarHBondContact O-OG1 2.86Å; T140-H142 VanDerWaalsContact C-N 3.27Å; T140-H142 PolarHBondContact O-N 3.23Å; T140-D143 PolarHBondContact O-N 3.19Å; T140-W144 WeakPolarHBondContact O-CB 2.9Å; T140-W144 PolarHBondContact O-N 2.92Å
141L88.4Confident79.5Confident0 Ų038.7 Ų38.70%022%0.22CC..Hα-helixtrans-59.2-38.3172.2-178.759.2000112.1W137 W144 S145 L172 A177 V179 L184 V187 F204W137-L141 WeakPolarHBondContact O-CB 3.41Å; W137-L141 PolarHBondContact O-N 3.46Å; L141-W144 HydrophobicContact CD1-CE3 4.04Å; L141-S145 WeakPolarHBondContact O-CB 3.45Å; L141-S145 PolarHBondContact O-N 3.33Å; L141-S145 PolarHBondContact O-OG 3.23Å; L141-S145 VanDerWaalsContact O-OG 3.06Å; L141-L172 HydrophobicContact CD1-CD2 4.48Å; L141-A177 HydrophobicContact CD1-CB 4.5Å; L141-V179 HydrophobicContact CB-CG2 3.78Å; L141-V179 HydrophobicContact CD1-CG2 3.66Å; L141-V179 HydrophobicContact CD2-CG2 4.01Å; L141-V179 HydrophobicContact CG-CG2 3.98Å; L141-L184 HydrophobicContact CD2-CD2 4.29Å; L141-V187 HydrophobicContact CD2-CG2 4.15Å; L141-F204 HydrophobicContact CD1-CZ 4.08Å; L141-F204 HydrophobicContact CD2-CE2 4.01Å; L141-F204 HydrophobicContact CD2-CZ 4.13Å; L141-F204 HydrophobicContact CG-CE2 4.37Å; L141-F204 HydrophobicContact CG-CZ 4.1Å
142H88.8Confident81.5Confident3 Ų335.8 Ų35.81%0.01419%0.191CC..Hα-helixtrans-62-49.3175-165.4-119.1000112A138 L139 T140 W144 S145 N146 V205 I211A138-H142 PolarHBondContact O-N 3.43Å; A138-H142 VanDerWaalsContact O-N 3.14Å; L139-H142 VanDerWaalsContact O-CB 3.3Å; L139-H142 WeakPolarHBondContact O-CB 3.39Å; L139-H142 PolarHBondContact O-N 3.1Å; T140-H142 VanDerWaalsContact C-N 3.27Å; T140-H142 PolarHBondContact O-N 3.23Å; H142-W144 VanDerWaalsContact C-N 3.31Å; H142-W144 PolarHBondContact O-N 3.31Å; H142-S145 PolarHBondContact O-N 3.41Å; H142-S145 PolarHBondContact O-OG 3.19Å; H142-N146 PolarHBondContact CE1-ND2 3.16Å; H142-N146 PolarHBondContact NE2-ND2 3.42Å; H142-N146 VanDerWaalsContact NE2-ND2 3.11Å; H142-N146 PolarHBondContact O-N 2.96Å; H142-N146 VanDerWaalsContact O-N 3.13Å; H142-N146 PolarHBondContact O-ND2 3.04Å; H142-V205 PolarHBondContact CD2-O 3.09Å; H142-V205 PolarHBondContact NE2-O 3.1Å; H142-I211 HydrophobicContact CB-CD1 3.24Å; H142-I211 VanDerWaalsContact CD2-CD1 3.42Å; H142-I211 WeakPolarHBondContact CD2-CD1 3Å
143D89Confident83Confident6 Ų634.9 Ų34.93%0.03219%0.19CC..Hα-helixtrans-64.8-41.1-178.4-64.1-19.6000110.4S49 R84 L139 T140 N146 E147 L217S49-D143 WeakPolarHBondContact CB-OD2 3.36Å; S49-D143 PolarHBondContact OG-OD2 3.14Å; R84-D143 IonicContact CZ-OD1 3.43Å; R84-D143 IonicContact CZ-OD2 2.7Å; R84-D143 IonicContact NE-OD1 2.74Å; R84-D143 IonicContact NE-OD2 3.63Å; R84-D143 PolarHBondContact NE-OD2 3.39Å; R84-D143 IonicContact NH2-OD1 3.29Å; R84-D143 PolarHBondContact NH2-OD1 3.43Å; R84-D143 IonicContact NH2-OD2 3.56Å; R84-D143 PolarHBondContact NH2-OD2 3.49Å; L139-D143 VanDerWaalsContact O-CG 3.3Å; L139-D143 PolarHBondContact O-N 3.47Å; T140-D143 PolarHBondContact O-N 3.19Å; D143-N146 PolarHBondContact O-N 3.44Å; D143-E147 PolarHBondContact O-N 3.11Å; D143-L217 WeakPolarHBondContact OD1-CD1 3.38Å; D143-L217 WeakPolarHBondContact OD1-CD2 3.24Å
144W90.8Very high84.4Confident4 Ų437.6 Ų37.62%0.01520%0.202CC..Hα-helixtrans-59-52.7173.5-179.790000111.5G50 T140 L141 H142 N146 E147 Y148 L152 L172 L175 A177 P178G50-W144 WeakPolarHBondContact O-CB 3.43Å; T140-W144 WeakPolarHBondContact O-CB 2.9Å; T140-W144 PolarHBondContact O-N 2.92Å; L141-W144 HydrophobicContact CD1-CE3 4.04Å; H142-W144 VanDerWaalsContact C-N 3.31Å; H142-W144 PolarHBondContact O-N 3.31Å; W144-N146 PolarHBondContact O-N 3.38Å; W144-N146 VanDerWaalsContact O-N 3.17Å; W144-E147 PolarHBondContact O-N 3.28Å; W144-Y148 AromaticContact CD1-CD2 3.68Å; W144-Y148 AromaticContact CD1-CE2 3.5Å; W144-Y148 AromaticContact CD2-CD2 3.95Å; W144-Y148 HydrophobicContact CD2-CD2 3.95Å; W144-Y148 HydrophobicContact CD2-CE2 4.47Å; W144-Y148 HydrophobicContact CD2-CG 4.48Å; W144-Y148 AromaticContact CE2-CD2 3.59Å; W144-Y148 AromaticContact CE2-CE2 3.84Å; W144-Y148 AromaticContact CE2-CG 3.97Å; W144-Y148 AromaticContact CG-CD2 4Å; W144-Y148 HydrophobicContact CG-CD2 4Å; W144-Y148 HydrophobicContact CG-CE2 4.27Å; W144-Y148 HydrophobicContact CZ2-CD1 4.33Å; W144-Y148 HydrophobicContact CZ2-CD2 4.14Å; W144-Y148 HydrophobicContact CZ2-CE2 4.5Å; W144-Y148 HydrophobicContact CZ2-CG 4.05Å; W144-Y148 AromaticContact NE1-CD2 3.43Å; W144-Y148 AromaticContact NE1-CE2 3.21Å; W144-Y148 AromaticContact NE1-CZ 3.78Å; W144-Y148 WeakPolarHBondContact O-CD2 3.45Å; W144-Y148 PolarHBondContact O-N 3.43Å; W144-L152 HydrophobicContact CZ3-CD1 4.29Å; W144-L172 HydrophobicContact CE3-CD2 4.39Å; W144-L172 HydrophobicContact CH2-CD2 3.78Å; W144-L172 HydrophobicContact CZ3-CD2 3.41Å; W144-L172 VanDerWaalsContact CZ3-CD2 3.41Å; W144-L175 HydrophobicContact CH2-CB 3.83Å; W144-L175 HydrophobicContact CH2-CD1 4.3Å; W144-L175 HydrophobicContact CZ2-CB 3.7Å; W144-A177 HydrophobicContact CD2-CB 4.36Å; W144-A177 HydrophobicContact CE3-CB 4.24Å; W144-A177 HydrophobicContact CH2-CB 3.78Å; W144-A177 HydrophobicContact CZ2-CB 3.86Å; W144-A177 HydrophobicContact CZ3-CB 3.98Å; W144-P178 HydrophobicContact CB-CG 4.38Å; W144-P178 HydrophobicContact CG-CG 4.31Å
145S89.8Confident85.4Confident0 Ų038.1 Ų38.10%021%0.209CC..Hα-helixtrans-62.1-27.1-178.662.10000113.9L141 H142 Q149L141-S145 WeakPolarHBondContact O-CB 3.45Å; L141-S145 PolarHBondContact O-N 3.33Å; L141-S145 PolarHBondContact O-OG 3.23Å; L141-S145 VanDerWaalsContact O-OG 3.06Å; H142-S145 PolarHBondContact O-N 3.41Å; H142-S145 PolarHBondContact O-OG 3.19Å; S145-Q149 WeakPolarHBondContact O-CA 3.27Å; S145-Q149 PolarHBondContact O-N 3.23Å
146N88.4Confident85.7Confident47 Ų4734.5 Ų34.525%0.25119%0.189SC..Hα-helixtrans-75.5-34.8174-79.4-86.3000112.3H142 D143 W144 Q149 V205 L217H142-N146 PolarHBondContact CE1-ND2 3.16Å; H142-N146 PolarHBondContact NE2-ND2 3.42Å; H142-N146 VanDerWaalsContact NE2-ND2 3.11Å; H142-N146 PolarHBondContact O-N 2.96Å; H142-N146 VanDerWaalsContact O-N 3.13Å; H142-N146 PolarHBondContact O-ND2 3.04Å; D143-N146 PolarHBondContact O-N 3.44Å; W144-N146 PolarHBondContact O-N 3.38Å; W144-N146 VanDerWaalsContact O-N 3.17Å; N146-Q149 WeakPolarHBondContact O-CB 3.3Å; N146-V205 PolarHBondContact ND2-O 3.39Å; N146-V205 VanDerWaalsContact ND2-O 3.13Å; N146-L217 HydrophobicContact CB-CD1 3.83Å
147E86.5Confident85.3Confident34 Ų3437.7 Ų37.716%0.15920%0.195CC..Hα-helixtrans-73.1-36.6176.4-178.259.6-155.500111.7R13 F51 D143 W144 Q149R13-E147 WeakPolarHBondContact CD-OE1 3.29Å; R13-E147 IonicContact CZ-OE1 2.69Å; R13-E147 IonicContact CZ-OE2 2.64Å; R13-E147 IonicContact NE-OE1 3.16Å; R13-E147 PolarHBondContact NE-OE1 3.3Å; R13-E147 IonicContact NE-OE2 3.84Å; R13-E147 IonicContact NH2-OE1 2.96Å; R13-E147 PolarHBondContact NH2-OE1 3.3Å; R13-E147 IonicContact NH2-OE2 3.67Å; R13-E147 PolarHBondContact NH2-OE2 2.95Å; F51-E147 HydrophobicContact CE2-CG 4.24Å; D143-E147 PolarHBondContact O-N 3.11Å; W144-E147 PolarHBondContact O-N 3.28Å; E147-Q149 VanDerWaalsContact C-N 3.3Å; E147-Q149 PolarHBondContact O-N 3.38Å
148Y87.1Confident84.6Confident34 Ų3442.2 Ų42.213%0.13322%0.222CC..THydrogen-bonded Turntrans-90.515.5177-73.3-97.1000113.4F51 W144 A150 E151 L152F51-Y148 HydrophobicContact CE1-CE2 4.35Å; F51-Y148 WeakPolarHBondContact CE1-OH 3.36Å; F51-Y148 HydrophobicContact CZ-CE2 4.29Å; W144-Y148 AromaticContact CD1-CD2 3.68Å; W144-Y148 AromaticContact CD1-CE2 3.5Å; W144-Y148 AromaticContact CD2-CD2 3.95Å; W144-Y148 HydrophobicContact CD2-CD2 3.95Å; W144-Y148 HydrophobicContact CD2-CE2 4.47Å; W144-Y148 HydrophobicContact CD2-CG 4.48Å; W144-Y148 AromaticContact CE2-CD2 3.59Å; W144-Y148 AromaticContact CE2-CE2 3.84Å; W144-Y148 AromaticContact CE2-CG 3.97Å; W144-Y148 AromaticContact CG-CD2 4Å; W144-Y148 HydrophobicContact CG-CD2 4Å; W144-Y148 HydrophobicContact CG-CE2 4.27Å; W144-Y148 HydrophobicContact CZ2-CD1 4.33Å; W144-Y148 HydrophobicContact CZ2-CD2 4.14Å; W144-Y148 HydrophobicContact CZ2-CE2 4.5Å; W144-Y148 HydrophobicContact CZ2-CG 4.05Å; W144-Y148 AromaticContact NE1-CD2 3.43Å; W144-Y148 AromaticContact NE1-CE2 3.21Å; W144-Y148 AromaticContact NE1-CZ 3.78Å; W144-Y148 WeakPolarHBondContact O-CD2 3.45Å; W144-Y148 PolarHBondContact O-N 3.43Å; Y148-A150 VanDerWaalsContact C-N 3.27Å; Y148-A150 PolarHBondContact O-N 3.29Å; Y148-E151 WeakPolarHBondContact CA-OE2 3.38Å; Y148-E151 PolarHBondContact O-N 2.96Å; Y148-L152 WeakPolarHBondContact O-CB 3.36Å; Y148-L152 VanDerWaalsContact O-CG 3.31Å; Y148-L152 WeakPolarHBondContact O-CG 3.23Å; Y148-L152 PolarHBondContact O-N 3.18Å
149Q86.5Confident83.7Confident87 Ų8745.1 Ų45.141%0.40724%0.236SC..Hα-helixtrans-58.1-39.3-174.8178.2-177-31.200112.2S145 N146 E147 V153 V205S145-Q149 WeakPolarHBondContact O-CA 3.27Å; S145-Q149 PolarHBondContact O-N 3.23Å; N146-Q149 WeakPolarHBondContact O-CB 3.3Å; E147-Q149 VanDerWaalsContact C-N 3.3Å; E147-Q149 PolarHBondContact O-N 3.38Å; Q149-V153 HydrophobicContact CG-CG2 4.42Å; Q149-V153 WeakPolarHBondContact O-CB 3.43Å; Q149-V153 WeakPolarHBondContact O-CG2 3.18Å; Q149-V153 PolarHBondContact O-N 2.93Å; Q149-V205 HydrophobicContact CB-CG1 4.16Å; Q149-V205 HydrophobicContact CG-CG1 3.96Å
150A84.9Confident82.4Confident74 Ų7454.3 Ų54.361%0.61228%0.276SS*.Hα-helixtrans-67.9-44.9-178.500000111.1Y148 V153 E154Y148-A150 VanDerWaalsContact C-N 3.27Å; Y148-A150 PolarHBondContact O-N 3.29Å; A150-V153 PolarHBondContact O-N 3.28Å; A150-E154 PolarHBondContact O-N 3.33Å
151E85.2Confident81.3Confident54 Ų5454 Ų5425%0.25228%0.277SS..Hα-helixtrans-65.7-39.4178.1-63.885.8170.900111.6R17 Y148 E154 A155 L175R17-E151 IonicContact CZ-OE1 3.81Å; R17-E151 VanDerWaalsContact CZ-OE1 3.24Å; R17-E151 IonicContact NH1-OE1 3.64Å; R17-E151 PolarHBondContact NH1-OE1 3.3Å; R17-E151 IonicContact NH2-OE1 3.74Å; R17-E151 PolarHBondContact NH2-OE1 2.83Å; R17-E151 IonicContact NH2-OE2 2.64Å; Y148-E151 WeakPolarHBondContact CA-OE2 3.38Å; Y148-E151 PolarHBondContact O-N 2.96Å; E151-E154 PolarHBondContact O-N 3.46Å; E151-A155 WeakPolarHBondContact O-CB 3.34Å; E151-A155 PolarHBondContact O-N 2.88Å; E151-L175 HydrophobicContact CB-CD2 4.47Å
152L84.8Confident80.5Confident0 Ų057.4 Ų57.40%030%0.295CS..Hα-helixtrans-64.9-45.3174.4-71.8168.7000111.6W144 Y148 E154 A155 F156 V171 L175 V201 V205W144-L152 HydrophobicContact CZ3-CD1 4.29Å; Y148-L152 WeakPolarHBondContact O-CB 3.36Å; Y148-L152 VanDerWaalsContact O-CG 3.31Å; Y148-L152 WeakPolarHBondContact O-CG 3.23Å; Y148-L152 PolarHBondContact O-N 3.18Å; L152-E154 PolarHBondContact O-N 2.95Å; L152-A155 PolarHBondContact O-N 3.37Å; L152-F156 HydrophobicContact CD2-CE2 4.06Å; L152-F156 WeakPolarHBondContact O-CD2 3.45Å; L152-F156 PolarHBondContact O-N 3.47Å; L152-F156 VanDerWaalsContact O-N 3.08Å; L152-V171 HydrophobicContact CD2-CG1 4.33Å; L152-L175 HydrophobicContact CD2-CD1 3.64Å; L152-L175 HydrophobicContact CG-CD1 4.2Å; L152-V201 HydrophobicContact CB-CG1 4.41Å; L152-V205 HydrophobicContact CD1-CG2 4.2Å
153V82.9Confident79.7Confident71 Ų7157.2 Ų57.243%0.4330%0.295SS..Hα-helixtrans-62-34.9177.4169.80000111.3Q149 A150 R157Q149-V153 HydrophobicContact CG-CG2 4.42Å; Q149-V153 WeakPolarHBondContact O-CB 3.43Å; Q149-V153 WeakPolarHBondContact O-CG2 3.18Å; Q149-V153 PolarHBondContact O-N 2.93Å; A150-V153 PolarHBondContact O-N 3.28Å; V153-R157 PolarHBondContact O-N 3.28Å
154E84.3Confident79.2Confident98 Ų9861 Ų6146%0.45832%0.315SS..Hα-helixtrans-69.4-46.9175.4-168.361.7-167.300112.3A150 E151 L152 F156 R157A150-E154 PolarHBondContact O-N 3.33Å; E151-E154 PolarHBondContact O-N 3.46Å; L152-E154 PolarHBondContact O-N 2.95Å; E154-F156 PolarHBondContact O-N 3.11Å; E154-R157 VanDerWaalsContact O-CB 3.26Å; E154-R157 WeakPolarHBondContact O-CB 3.14Å; E154-R157 PolarHBondContact O-N 3.36Å; E154-R157 VanDerWaalsContact O-N 3.15Å; E154-R157 IonicContact OE1-CZ 3.13Å; E154-R157 IonicContact OE1-NE 3.58Å; E154-R157 PolarHBondContact OE1-NE 3.26Å; E154-R157 IonicContact OE1-NH1 3.65Å; E154-R157 IonicContact OE1-NH2 3.69Å; E154-R157 PolarHBondContact OE1-NH2 3.45Å; E154-R157 IonicContact OE2-CZ 2.69Å; E154-R157 IonicContact OE2-NE 2.79Å; E154-R157 PolarHBondContact OE2-NE 2.75Å; E154-R157 VanDerWaalsContact OE2-NE 3.1Å; E154-R157 IonicContact OE2-NH2 2.81Å; E154-R157 PolarHBondContact OE2-NH2 3.38Å
155A80.4Confident78.6Confident47 Ų4763.2 Ų63.239%0.38833%0.327SS..Hα-helixtrans-61.3-29.6179.700000112.9E151 L152 V171E151-A155 WeakPolarHBondContact O-CB 3.34Å; E151-A155 PolarHBondContact O-N 2.88Å; L152-A155 PolarHBondContact O-N 3.37Å; A155-V171 HydrophobicContact CB-CG1 3.74Å
156F78.5Confident78.2Confident4 Ų469.2 Ų69.22%0.01836%0.359CS..THydrogen-bonded Turntrans-103.614.1179.3-64.7-69.8000114L152 E154 D158 Q159 A163 F168 V171 V201L152-F156 HydrophobicContact CD2-CE2 4.06Å; L152-F156 WeakPolarHBondContact O-CD2 3.45Å; L152-F156 PolarHBondContact O-N 3.47Å; L152-F156 VanDerWaalsContact O-N 3.08Å; E154-F156 PolarHBondContact O-N 3.11Å; F156-D158 PolarHBondContact O-N 3.46Å; F156-Q159 PolarHBondContact O-N 2.9Å; F156-A163 HydrophobicContact CD1-CB 3.74Å; F156-A163 HydrophobicContact CE1-CB 3.44Å; F156-A163 VanDerWaalsContact CE1-CB 3.44Å; F156-A163 HydrophobicContact CZ-CB 4.23Å; F156-F168 HydrophobicContact CE1-CD2 4.5Å; F156-F168 HydrophobicContact CE2-CD2 4.31Å; F156-F168 AromaticContact CZ-CD2 3.79Å; F156-F168 HydrophobicContact CZ-CD2 3.79Å; F156-V171 HydrophobicContact CE1-CB 4.37Å; F156-V171 HydrophobicContact CE1-CG2 4.08Å; F156-V171 HydrophobicContact CE2-CB 4.27Å; F156-V171 HydrophobicContact CE2-CG1 3.73Å; F156-V171 HydrophobicContact CZ-CB 3.7Å; F156-V171 HydrophobicContact CZ-CG1 3.7Å; F156-V171 HydrophobicContact CZ-CG2 3.91Å; F156-V201 HydrophobicContact CB-CG2 3.94Å; F156-V201 HydrophobicContact CD1-CG2 4.16Å; F156-V201 HydrophobicContact CD2-CB 4.32Å; F156-V201 HydrophobicContact CD2-CG1 3.84Å; F156-V201 HydrophobicContact CD2-CG2 3.51Å; F156-V201 HydrophobicContact CE2-CG1 4.35Å; F156-V201 HydrophobicContact CE2-CG2 4.04Å; F156-V201 HydrophobicContact CG-CG2 3.6Å
157R72.6Confident77.9Confident160 Ų16069.3 Ų69.360%0.60436%0.361SS*.G310 helixtrans-57-38.7179-173.9-171.1-76.5-160.7-1.5111.6V153 E154 Q159V153-R157 PolarHBondContact O-N 3.28Å; E154-R157 VanDerWaalsContact O-CB 3.26Å; E154-R157 WeakPolarHBondContact O-CB 3.14Å; E154-R157 PolarHBondContact O-N 3.36Å; E154-R157 VanDerWaalsContact O-N 3.15Å; E154-R157 IonicContact OE1-CZ 3.13Å; E154-R157 IonicContact OE1-NE 3.58Å; E154-R157 PolarHBondContact OE1-NE 3.26Å; E154-R157 IonicContact OE1-NH1 3.65Å; E154-R157 IonicContact OE1-NH2 3.69Å; E154-R157 PolarHBondContact OE1-NH2 3.45Å; E154-R157 IonicContact OE2-CZ 2.69Å; E154-R157 IonicContact OE2-NE 2.79Å; E154-R157 PolarHBondContact OE2-NE 2.75Å; E154-R157 VanDerWaalsContact OE2-NE 3.1Å; E154-R157 IonicContact OE2-NH2 2.81Å; E154-R157 PolarHBondContact OE2-NH2 3.38Å; R157-Q159 VanDerWaalsContact C-N 3.35Å; R157-Q159 PolarHBondContact O-N 3.22Å
158D69.6Low77.7Confident140 Ų14067.7 Ų67.775%0.74935%0.354SS*.G310 helixtrans-76.7-20.6-175.6-61.3-26.4000113.3F156F156-D158 PolarHBondContact O-N 3.46Å
159Q64.6Low77.5Confident61 Ų6167.5 Ų67.529%0.28535%0.354SS..G310 helixtrans-100.315.7-176.2-58.8-170.1-26.500113.4F156 R157 G161 N162F156-Q159 PolarHBondContact O-N 2.9Å; R157-Q159 VanDerWaalsContact C-N 3.35Å; R157-Q159 PolarHBondContact O-N 3.22Å; Q159-G161 PolarHBondContact O-N 3.2Å; Q159-N162 WeakPolarHBondContact CB-O 3.39Å; Q159-N162 PolarHBondContact O-N 3.2Å
160F60.5Low77.4Confident195 Ų19565.5 Ų65.586%0.85535%0.35SS*.THydrogen-bonded Turntrans50.627.7-178.6-62.3-84.7000114.1
161G63.1Low77.4Confident16 Ų1663 Ų6317%0.16533%0.327CS..THydrogen-bonded Turntrans808.1178.500000116.3Q159 N200 V201Q159-G161 PolarHBondContact O-N 3.2Å; G161-N200 WeakPolarHBondContact O-CA 3.16Å; G161-V201 PolarHBondContact O-N 3.08Å
162N71.7Confident77.4Confident70 Ų7060.4 Ų60.437%0.37432%0.315SS..EExtended strand (participates in β ladder)trans-115.7118.9171.9-70.1-23.6000109.9Q159 L198 I199 N200Q159-N162 WeakPolarHBondContact CB-O 3.39Å; Q159-N162 PolarHBondContact O-N 3.2Å; N162-L198 HydrophobicContact CB-CB 4.34Å; N162-L198 HydrophobicContact CB-CD2 4.22Å; N162-I199 CarbonylContact C-O 3.58Å; N162-I199 WeakPolarHBondContact CA-O 3.39Å; N162-N200 PolarHBondContact OD1-ND2 3.41Å
163A72.8Confident77.5Confident0 Ų066.3 Ų66.30%034%0.342CS..EExtended strand (participates in β ladder)trans-113.8140.8-176.600000112.2F156 F168 I199F156-A163 HydrophobicContact CD1-CB 3.74Å; F156-A163 HydrophobicContact CE1-CB 3.44Å; F156-A163 VanDerWaalsContact CE1-CB 3.44Å; F156-A163 HydrophobicContact CZ-CB 4.23Å; A163-F168 HydrophobicContact CB-CB 4.12Å; A163-F168 HydrophobicContact CB-CD2 4.35Å; A163-I199 PolarHBondContact N-O 2.95Å; A163-I199 PolarHBondContact O-N 3.2Å
164D78.4Confident77.6Confident86 Ų8669.6 Ų69.646%0.4636%0.358SS..  trans-73157167.4-64.9-25.4000110.6D166 T167 F168 L198D164-D166 PolarHBondContact O-N 3.03Å; D164-T167 PolarHBondContact O-N 3.38Å; D164-F168 VanDerWaalsContact O-CB 3.25Å; D164-F168 WeakPolarHBondContact O-CB 3.49Å; D164-F168 PolarHBondContact O-N 3.18Å; D164-L198 WeakPolarHBondContact OD1-CD2 3.27Å
165L78.4Confident77.6Confident49 Ų4967.4 Ų67.426%0.25735%0.349SS..Hα-helixtrans-52.6-52.6-176.1177.360.6000112.8T167 F168 M169 F188L165-T167 VanDerWaalsContact C-N 3.35Å; L165-T167 PolarHBondContact O-N 3.29Å; L165-F168 WeakPolarHBondContact O-CB 3.39Å; L165-F168 PolarHBondContact O-N 3.19Å; L165-M169 HydrophobicContact CD1-CG 4.01Å; L165-M169 HydrophobicContact CD1-SD 3.63Å; L165-M169 HydrophobicContact CG-SD 3.92Å; L165-M169 WeakPolarHBondContact O-CG 3.23Å; L165-M169 PolarHBondContact O-N 3.04Å; L165-F188 HydrophobicContact CB-CD2 3.94Å; L165-F188 HydrophobicContact CB-CE1 4.36Å; L165-F188 HydrophobicContact CB-CE2 3.49Å; L165-F188 VanDerWaalsContact CB-CE2 3.49Å; L165-F188 HydrophobicContact CB-CZ 3.73Å; L165-F188 HydrophobicContact CD1-CB 3.9Å; L165-F188 HydrophobicContact CD1-CD1 4.07Å; L165-F188 HydrophobicContact CD1-CD2 3.26Å; L165-F188 HydrophobicContact CD1-CE1 4.46Å; L165-F188 HydrophobicContact CD1-CE2 3.79Å; L165-F188 HydrophobicContact CD1-CG 3.49Å; L165-F188 VanDerWaalsContact CD1-CG 3.49Å; L165-F188 HydrophobicContact CD1-CZ 4.36Å; L165-F188 HydrophobicContact CD2-CE1 4.48Å; L165-F188 HydrophobicContact CG-CD2 4.13Å; L165-F188 HydrophobicContact CG-CE2 4.17Å; L165-F188 HydrophobicContact CG-CG 4.48Å; L165-F188 HydrophobicContact CG-CZ 4.46Å
166D80.3Confident77.7Confident127 Ų12767.7 Ų67.768%0.67936%0.357SS*.Hα-helixtrans-68-37.3-173.8-56.8-28.8000111.8D164 S170D164-D166 PolarHBondContact O-N 3.03Å; D166-S170 WeakPolarHBondContact O-CB 3.5Å; D166-S170 PolarHBondContact O-N 3.44Å; D166-S170 PolarHBondContact O-OG 3.4Å
167T82.9Confident78Confident48 Ų4868.4 Ų68.429%0.29436%0.363SS..Hα-helixtrans-70.3-37.3175.5-33.30000111.1D164 L165 S170 V171D164-T167 PolarHBondContact O-N 3.38Å; L165-T167 VanDerWaalsContact C-N 3.35Å; L165-T167 PolarHBondContact O-N 3.29Å; T167-S170 WeakPolarHBondContact CA-OG 3.24Å; T167-S170 PolarHBondContact O-OG 3.12Å; T167-V171 WeakPolarHBondContact O-CB 3.23Å; T167-V171 VanDerWaalsContact O-CG2 3.24Å; T167-V171 WeakPolarHBondContact O-CG2 3.34Å; T167-V171 PolarHBondContact O-N 3.12Å; T167-V171 VanDerWaalsContact O-N 3.13Å
168F82.6Confident78.3Confident1 Ų163.1 Ų63.10%0.00435%0.349CS..Hα-helixtrans-65.8-47177.6-176.8-108.8000111.7F156 A163 D164 L165 V171 L172 I199 F204F156-F168 HydrophobicContact CE1-CD2 4.5Å; F156-F168 HydrophobicContact CE2-CD2 4.31Å; F156-F168 AromaticContact CZ-CD2 3.79Å; F156-F168 HydrophobicContact CZ-CD2 3.79Å; A163-F168 HydrophobicContact CB-CB 4.12Å; A163-F168 HydrophobicContact CB-CD2 4.35Å; D164-F168 VanDerWaalsContact O-CB 3.25Å; D164-F168 WeakPolarHBondContact O-CB 3.49Å; D164-F168 PolarHBondContact O-N 3.18Å; L165-F168 WeakPolarHBondContact O-CB 3.39Å; L165-F168 PolarHBondContact O-N 3.19Å; F168-V171 PolarHBondContact O-N 3.05Å; F168-L172 HydrophobicContact CD1-CD1 3.52Å; F168-L172 HydrophobicContact CD2-CD1 4.17Å; F168-L172 HydrophobicContact CE1-CD1 3.2Å; F168-L172 HydrophobicContact CE2-CD1 3.89Å; F168-L172 HydrophobicContact CG-CD1 4Å; F168-L172 HydrophobicContact CZ-CD1 3.41Å; F168-L172 VanDerWaalsContact CZ-CD1 3.41Å; F168-L172 HydrophobicContact CZ-CG 4.47Å; F168-L172 WeakPolarHBondContact O-CD1 3.46Å; F168-L172 WeakPolarHBondContact O-CG 3.46Å; F168-L172 PolarHBondContact O-N 3.23Å; F168-L172 VanDerWaalsContact O-N 3.1Å; F168-I199 HydrophobicContact CD1-CD1 3.85Å; F168-I199 HydrophobicContact CE1-CD1 3.85Å; F168-I199 HydrophobicContact CE2-CG2 4.3Å; F168-I199 HydrophobicContact CG-CD1 4.3Å; F168-I199 HydrophobicContact CZ-CD1 4.33Å; F168-I199 HydrophobicContact CZ-CG2 4.47Å; F168-F204 HydrophobicContact CE2-CD1 4.03Å; F168-F204 HydrophobicContact CE2-CE1 4.27Å; F168-F204 HydrophobicContact CE2-CG 4.23Å; F168-F204 AromaticContact CZ-CD1 3.84Å; F168-F204 HydrophobicContact CZ-CD1 3.84Å; F168-F204 AromaticContact CZ-CD2 3.8Å; F168-F204 HydrophobicContact CZ-CD2 3.8Å; F168-F204 AromaticContact CZ-CE1 3.88Å; F168-F204 HydrophobicContact CZ-CE1 3.88Å; F168-F204 AromaticContact CZ-CE2 3.85Å; F168-F204 HydrophobicContact CZ-CE2 3.85Å; F168-F204 AromaticContact CZ-CG 3.8Å; F168-F204 HydrophobicContact CZ-CG 3.8Å; F168-F204 AromaticContact CZ-CZ 3.88Å; F168-F204 HydrophobicContact CZ-CZ 3.88Å
169M83.1Confident78.7Confident29 Ų2957.4 Ų57.414%0.14332%0.32CS..Hα-helixtrans-62.2-48177.8-71.417868.500111.9L165 V171 L172 E173 P181L165-M169 HydrophobicContact CD1-CG 4.01Å; L165-M169 HydrophobicContact CD1-SD 3.63Å; L165-M169 HydrophobicContact CG-SD 3.92Å; L165-M169 WeakPolarHBondContact O-CG 3.23Å; L165-M169 PolarHBondContact O-N 3.04Å; M169-V171 PolarHBondContact O-N 3.28Å; M169-L172 WeakPolarHBondContact O-CB 3.39Å; M169-L172 PolarHBondContact O-N 3.28Å; M169-L172 VanDerWaalsContact O-N 3.15Å; M169-E173 WeakPolarHBondContact O-CG 3.37Å; M169-E173 PolarHBondContact O-N 3.42Å; M169-P181 HydrophobicContact CE-CB 4.25Å
170S84.4Confident79.6Confident46 Ų4660.6 Ų60.632%0.32233%0.334SS..Hα-helixtrans-61.6-39.5179.2540000113.1D166 T167 E173 N174D166-S170 WeakPolarHBondContact O-CB 3.5Å; D166-S170 PolarHBondContact O-N 3.44Å; D166-S170 PolarHBondContact O-OG 3.4Å; T167-S170 WeakPolarHBondContact CA-OG 3.24Å; T167-S170 PolarHBondContact O-OG 3.12Å; S170-E173 PolarHBondContact O-N 2.97Å; S170-N174 VanDerWaalsContact O-CB 3.32Å; S170-N174 WeakPolarHBondContact O-CB 3.42Å; S170-N174 PolarHBondContact O-N 3.44Å; S170-N174 PolarHBondContact O-ND2 2.98Å; S170-N174 VanDerWaalsContact O-ND2 3.08Å
171V84.9Confident80.4Confident21 Ų2154 Ų5413%0.12731%0.312CS..Hα-helixtrans-65-41.2175.11710000111.5L152 A155 F156 T167 F168 M169 N174 L175L152-V171 HydrophobicContact CD2-CG1 4.33Å; A155-V171 HydrophobicContact CB-CG1 3.74Å; F156-V171 HydrophobicContact CE1-CB 4.37Å; F156-V171 HydrophobicContact CE1-CG2 4.08Å; F156-V171 HydrophobicContact CE2-CB 4.27Å; F156-V171 HydrophobicContact CE2-CG1 3.73Å; F156-V171 HydrophobicContact CZ-CB 3.7Å; F156-V171 HydrophobicContact CZ-CG1 3.7Å; F156-V171 HydrophobicContact CZ-CG2 3.91Å; T167-V171 WeakPolarHBondContact O-CB 3.23Å; T167-V171 VanDerWaalsContact O-CG2 3.24Å; T167-V171 WeakPolarHBondContact O-CG2 3.34Å; T167-V171 PolarHBondContact O-N 3.12Å; T167-V171 VanDerWaalsContact O-N 3.13Å; F168-V171 PolarHBondContact O-N 3.05Å; M169-V171 PolarHBondContact O-N 3.28Å; V171-N174 PolarHBondContact O-N 3.09Å; V171-L175 HydrophobicContact CG1-CD1 4Å; V171-L175 WeakPolarHBondContact O-CB 3.26Å; V171-L175 VanDerWaalsContact O-CG 3.31Å; V171-L175 WeakPolarHBondContact O-CG 3.39Å; V171-L175 PolarHBondContact O-N 3.16Å; V171-L175 VanDerWaalsContact O-N 3.09Å
172L85.2Confident81.3Confident0 Ų058.8 Ų58.80%033%0.333CS..Hα-helixtrans-65.2-42.3177.3-83.5155.3000112.5L141 W144 F168 M169 L175 G176 A177 L184 F204L141-L172 HydrophobicContact CD1-CD2 4.48Å; W144-L172 HydrophobicContact CE3-CD2 4.39Å; W144-L172 HydrophobicContact CH2-CD2 3.78Å; W144-L172 HydrophobicContact CZ3-CD2 3.41Å; W144-L172 VanDerWaalsContact CZ3-CD2 3.41Å; F168-L172 HydrophobicContact CD1-CD1 3.52Å; F168-L172 HydrophobicContact CD2-CD1 4.17Å; F168-L172 HydrophobicContact CE1-CD1 3.2Å; F168-L172 HydrophobicContact CE2-CD1 3.89Å; F168-L172 HydrophobicContact CG-CD1 4Å; F168-L172 HydrophobicContact CZ-CD1 3.41Å; F168-L172 VanDerWaalsContact CZ-CD1 3.41Å; F168-L172 HydrophobicContact CZ-CG 4.47Å; F168-L172 WeakPolarHBondContact O-CD1 3.46Å; F168-L172 WeakPolarHBondContact O-CG 3.46Å; F168-L172 PolarHBondContact O-N 3.23Å; F168-L172 VanDerWaalsContact O-N 3.1Å; M169-L172 WeakPolarHBondContact O-CB 3.39Å; M169-L172 PolarHBondContact O-N 3.28Å; M169-L172 VanDerWaalsContact O-N 3.15Å; L172-L175 PolarHBondContact O-N 3.27Å; L172-G176 PolarHBondContact O-N 3.31Å; L172-A177 HydrophobicContact CB-CB 4.18Å; L172-A177 HydrophobicContact CD2-CB 3.74Å; L172-A177 WeakPolarHBondContact O-CB 3.5Å; L172-A177 PolarHBondContact O-N 2.99Å; L172-L184 HydrophobicContact CD1-CD1 4.46Å; L172-L184 HydrophobicContact CD1-CD2 3.99Å; L172-F204 HydrophobicContact CD2-CE1 4.39Å; L172-F204 HydrophobicContact CD2-CZ 4.25Å
173E85.4Confident81.8Confident124 Ų12457.8 Ų57.858%0.57933%0.326SS*.Hα-helixtrans-63.7-45.5175.3-74.3176.1-18000111.3M169 S170 L175 G176M169-E173 WeakPolarHBondContact O-CG 3.37Å; M169-E173 PolarHBondContact O-N 3.42Å; S170-E173 PolarHBondContact O-N 2.97Å; E173-L175 VanDerWaalsContact C-N 3.25Å; E173-L175 PolarHBondContact O-N 2.97Å; E173-G176 PolarHBondContact O-N 2.72Å
174N86.4Confident82.2Confident140 Ų14058 Ų5875%0.74933%0.328SS*.Hα-helixtrans-60.8-33.9177.4-75-28.1000112.9S170 V171 G176S170-N174 VanDerWaalsContact O-CB 3.32Å; S170-N174 WeakPolarHBondContact O-CB 3.42Å; S170-N174 PolarHBondContact O-N 3.44Å; S170-N174 PolarHBondContact O-ND2 2.98Å; S170-N174 VanDerWaalsContact O-ND2 3.08Å; V171-N174 PolarHBondContact O-N 3.09Å; N174-G176 VanDerWaalsContact C-N 3.31Å
175L84.1Confident82.2Confident51 Ų5158.9 Ų58.927%0.26733%0.329SS..THydrogen-bonded Turntrans-84.5-3.4177.3-67.1174.2000113.3W144 E151 L152 V171 L172 E173W144-L175 HydrophobicContact CH2-CB 3.83Å; W144-L175 HydrophobicContact CH2-CD1 4.3Å; W144-L175 HydrophobicContact CZ2-CB 3.7Å; E151-L175 HydrophobicContact CB-CD2 4.47Å; L152-L175 HydrophobicContact CD2-CD1 3.64Å; L152-L175 HydrophobicContact CG-CD1 4.2Å; V171-L175 HydrophobicContact CG1-CD1 4Å; V171-L175 WeakPolarHBondContact O-CB 3.26Å; V171-L175 VanDerWaalsContact O-CG 3.31Å; V171-L175 WeakPolarHBondContact O-CG 3.39Å; V171-L175 PolarHBondContact O-N 3.16Å; V171-L175 VanDerWaalsContact O-N 3.09Å; L172-L175 PolarHBondContact O-N 3.27Å; E173-L175 VanDerWaalsContact C-N 3.25Å; E173-L175 PolarHBondContact O-N 2.97Å
176G82.2Confident82.2Confident54 Ų5460.9 Ų60.956%0.55734%0.338SS*.THydrogen-bonded Turntrans71.343.9178.100000113.5L172 E173 N174L172-G176 PolarHBondContact O-N 3.31Å; E173-G176 PolarHBondContact O-N 2.72Å; N174-G176 VanDerWaalsContact C-N 3.31Å
177A84.2Confident82.3Confident19 Ų1954.9 Ų54.916%0.15731%0.306CS..  trans-60.6135.1176.100000111.5L141 W144 L172 V179L141-A177 HydrophobicContact CD1-CB 4.5Å; W144-A177 HydrophobicContact CD2-CB 4.36Å; W144-A177 HydrophobicContact CE3-CB 4.24Å; W144-A177 HydrophobicContact CH2-CB 3.78Å; W144-A177 HydrophobicContact CZ2-CB 3.86Å; W144-A177 HydrophobicContact CZ3-CB 3.98Å; L172-A177 HydrophobicContact CB-CB 4.18Å; L172-A177 HydrophobicContact CD2-CB 3.74Å; L172-A177 WeakPolarHBondContact O-CB 3.5Å; L172-A177 PolarHBondContact O-N 2.99Å; A177-V179 PolarHBondContact O-N 3.26Å
178P78.5Confident82.1Confident48 Ų4853.7 Ų53.731%0.31230%0.297SS..SBendtrans-82.458.4-175.334.4-37.4000112A52 W144A52-P178 HydrophobicContact CB-CB 4.22Å; W144-P178 HydrophobicContact CB-CG 4.38Å; W144-P178 HydrophobicContact CG-CG 4.31Å
179V79.9Confident82Confident21 Ų2157.4 Ų57.413%0.12732%0.323CS..SBendtrans-147.3139.5-171.8-1780000111.1W137 L141 A177 Q183 L184W137-V179 HydrophobicContact CE3-CG1 4.25Å; W137-V179 HydrophobicContact CZ3-CG1 4.32Å; L141-V179 HydrophobicContact CB-CG2 3.78Å; L141-V179 HydrophobicContact CD1-CG2 3.66Å; L141-V179 HydrophobicContact CD2-CG2 4.01Å; L141-V179 HydrophobicContact CG-CG2 3.98Å; A177-V179 PolarHBondContact O-N 3.26Å; V179-Q183 HydrophobicContact CG1-CB 3.44Å; V179-Q183 VanDerWaalsContact CG1-CB 3.44Å; V179-Q183 HydrophobicContact CG1-CG 4.48Å; V179-L184 HydrophobicContact CB-CD2 4.26Å; V179-L184 HydrophobicContact CB-CG 4.4Å; V179-L184 HydrophobicContact CG1-CD2 3.85Å; V179-L184 HydrophobicContact CG1-CG 3.83Å
180E82.1Confident81.8Confident127 Ų12756.9 Ų56.959%0.59332%0.323SS*.  trans-74.3149.2174.6-61.4-58.9146.900111.5D182 Q183 L184E180-D182 VanDerWaalsContact C-N 3.29Å; E180-D182 PolarHBondContact O-N 3.44Å; E180-Q183 HydrophobicContact CB-CG 4.37Å; E180-Q183 WeakPolarHBondContact O-CB 3.41Å; E180-Q183 PolarHBondContact O-N 3.25Å; E180-L184 PolarHBondContact O-N 3.13Å
181P77.4Confident81.3Confident58 Ų5855 Ų5538%0.37731%0.31SS..Hα-helixtrans-55.6-41.5-176.620.2-31.9000112.9M169 Q183 L184 E185M169-P181 HydrophobicContact CE-CB 4.25Å; P181-Q183 PolarHBondContact O-N 3.46Å; P181-L184 WeakPolarHBondContact O-CB 2.99Å; P181-L184 PolarHBondContact O-N 3.24Å; P181-E185 PolarHBondContact O-N 2.94Å
182D82.1Confident80.7Confident116 Ų11656.5 Ų56.562%0.6232%0.316SS*.Hα-helixtrans-57.9-34.8177.2-58.9-6000112.9E180 M186E180-D182 VanDerWaalsContact C-N 3.29Å; E180-D182 PolarHBondContact O-N 3.44Å; D182-M186 WeakPolarHBondContact O-CG 3.38Å; D182-M186 PolarHBondContact O-N 2.97Å
183Q82.8Confident79.8Confident48 Ų4864.7 Ų64.722%0.22435%0.352CS..Hα-helixtrans-74.9-31.1179.9-70.5176.1-4.100111.7W137 V179 E180 P181 M186 V187W137-Q183 HydrophobicContact CD2-CB 4.26Å; W137-Q183 HydrophobicContact CD2-CG 4.06Å; W137-Q183 HydrophobicContact CE3-CB 3.87Å; W137-Q183 HydrophobicContact CE3-CG 4.18Å; W137-Q183 HydrophobicContact CH2-CB 3.7Å; W137-Q183 HydrophobicContact CH2-CG 4.19Å; W137-Q183 WeakPolarHBondContact CH2-O 3.18Å; W137-Q183 HydrophobicContact CZ2-CB 4.06Å; W137-Q183 HydrophobicContact CZ2-CG 4.03Å; W137-Q183 HydrophobicContact CZ3-CB 3.61Å; W137-Q183 HydrophobicContact CZ3-CG 4.28Å; V179-Q183 HydrophobicContact CG1-CB 3.44Å; V179-Q183 VanDerWaalsContact CG1-CB 3.44Å; V179-Q183 HydrophobicContact CG1-CG 4.48Å; E180-Q183 HydrophobicContact CB-CG 4.37Å; E180-Q183 WeakPolarHBondContact O-CB 3.41Å; E180-Q183 PolarHBondContact O-N 3.25Å; P181-Q183 PolarHBondContact O-N 3.46Å; Q183-M186 WeakPolarHBondContact O-CB 3.23Å; Q183-M186 PolarHBondContact O-N 3.25Å; Q183-V187 PolarHBondContact O-N 3.06Å
184L79.8Confident78.7Confident6 Ų666.7 Ų66.73%0.03136%0.359CS..Hα-helixtrans-68-38.6173.8-68175.6000111.3L141 L172 V179 E180 P181 M186 V187 F188L141-L184 HydrophobicContact CD2-CD2 4.29Å; L172-L184 HydrophobicContact CD1-CD1 4.46Å; L172-L184 HydrophobicContact CD1-CD2 3.99Å; V179-L184 HydrophobicContact CB-CD2 4.26Å; V179-L184 HydrophobicContact CB-CG 4.4Å; V179-L184 HydrophobicContact CG1-CD2 3.85Å; V179-L184 HydrophobicContact CG1-CG 3.83Å; E180-L184 PolarHBondContact O-N 3.13Å; P181-L184 WeakPolarHBondContact O-CB 2.99Å; P181-L184 PolarHBondContact O-N 3.24Å; L184-M186 VanDerWaalsContact C-N 3.28Å; L184-M186 PolarHBondContact O-N 2.94Å; L184-V187 PolarHBondContact O-N 3.04Å; L184-V187 VanDerWaalsContact O-N 3.13Å; L184-F188 WeakPolarHBondContact O-CB 3.28Å; L184-F188 PolarHBondContact O-N 3.39Å
185E78.7Confident77.4Confident103 Ų10363.1 Ų63.148%0.48136%0.356SS..Hα-helixtrans-61.5-36.3174-66.1-172172.200112.3P181 F188 S189P181-E185 PolarHBondContact O-N 2.94Å; E185-F188 PolarHBondContact O-N 3.35Å; E185-S189 VanDerWaalsContact O-CB 3.3Å; E185-S189 WeakPolarHBondContact O-CB 3.47Å; E185-S189 PolarHBondContact O-N 3.06Å; E185-S189 PolarHBondContact O-OG 3.03Å
186M80.1Confident76.3Confident92 Ų9266.9 Ų66.945%0.45337%0.372SS..Hα-helixtrans-64.1-41.7173.7-65-178.574.400112M133 W137 D182 Q183 L184 A190M133-M186 HydrophobicContact CE-CE 3.33Å; M133-M186 HydrophobicContact CE-SD 4.26Å; M133-M186 HydrophobicContact SD-CE 4.08Å; W137-M186 HydrophobicContact CZ2-SD 4.2Å; D182-M186 WeakPolarHBondContact O-CG 3.38Å; D182-M186 PolarHBondContact O-N 2.97Å; Q183-M186 WeakPolarHBondContact O-CB 3.23Å; Q183-M186 PolarHBondContact O-N 3.25Å; L184-M186 VanDerWaalsContact C-N 3.28Å; L184-M186 PolarHBondContact O-N 2.94Å; M186-A190 WeakPolarHBondContact O-CB 3.39Å; M186-A190 PolarHBondContact O-N 2.87Å
187V80.6Confident75.6Confident1 Ų165.8 Ų65.81%0.00636%0.36CS..Hα-helixtrans-66.4-41.8175.8176.80000110.2W137 L141 Q183 L184 A190 H191 F204 Y210W137-V187 HydrophobicContact CH2-CG2 4Å; W137-V187 HydrophobicContact CZ3-CG2 3.94Å; L141-V187 HydrophobicContact CD2-CG2 4.15Å; Q183-V187 PolarHBondContact O-N 3.06Å; L184-V187 PolarHBondContact O-N 3.04Å; L184-V187 VanDerWaalsContact O-N 3.13Å; V187-A190 WeakPolarHBondContact O-CB 3.43Å; V187-A190 PolarHBondContact O-N 3.08Å; V187-H191 PolarHBondContact O-CD2 3.46Å; V187-H191 VanDerWaalsContact O-CD2 3.25Å; V187-H191 PolarHBondContact O-N 3.35Å; V187-H191 VanDerWaalsContact O-N 3.12Å; V187-F204 HydrophobicContact CG1-CD2 4Å; V187-F204 HydrophobicContact CG1-CE2 3.96Å; V187-Y210 HydrophobicContact CG1-CD1 3.96Å; V187-Y210 HydrophobicContact CG1-CD2 4.29Å; V187-Y210 HydrophobicContact CG1-CE1 4.24Å; V187-Y210 HydrophobicContact CG1-CG 4.01Å; V187-Y210 HydrophobicContact CG2-CD2 4.05Å; V187-Y210 HydrophobicContact CG2-CE2 4.47Å; V187-Y210 HydrophobicContact CG2-CG 4.39Å
188F78.9Confident75.1Confident22 Ų2268.2 Ų68.210%0.09637%0.37CS..Hα-helixtrans-60.6-48.6176.4-173.7-86.7000111.7L165 L184 E185 A190 H191 N192 G197 I199L165-F188 HydrophobicContact CB-CD2 3.94Å; L165-F188 HydrophobicContact CB-CE1 4.36Å; L165-F188 HydrophobicContact CB-CE2 3.49Å; L165-F188 VanDerWaalsContact CB-CE2 3.49Å; L165-F188 HydrophobicContact CB-CZ 3.73Å; L165-F188 HydrophobicContact CD1-CB 3.9Å; L165-F188 HydrophobicContact CD1-CD1 4.07Å; L165-F188 HydrophobicContact CD1-CD2 3.26Å; L165-F188 HydrophobicContact CD1-CE1 4.46Å; L165-F188 HydrophobicContact CD1-CE2 3.79Å; L165-F188 HydrophobicContact CD1-CG 3.49Å; L165-F188 VanDerWaalsContact CD1-CG 3.49Å; L165-F188 HydrophobicContact CD1-CZ 4.36Å; L165-F188 HydrophobicContact CD2-CE1 4.48Å; L165-F188 HydrophobicContact CG-CD2 4.13Å; L165-F188 HydrophobicContact CG-CE2 4.17Å; L165-F188 HydrophobicContact CG-CG 4.48Å; L165-F188 HydrophobicContact CG-CZ 4.46Å; L184-F188 WeakPolarHBondContact O-CB 3.28Å; L184-F188 PolarHBondContact O-N 3.39Å; E185-F188 PolarHBondContact O-N 3.35Å; F188-A190 PolarHBondContact O-N 3.08Å; F188-H191 WeakPolarHBondContact O-CA 3.49Å; F188-H191 PolarHBondContact O-N 3.41Å; F188-N192 HydrophobicContact CD1-CB 4.35Å; F188-N192 HydrophobicContact CE1-CB 4.09Å; F188-N192 PolarHBondContact O-N 3.21Å; F188-G197 WeakPolarHBondContact CZ-O 3.38Å; F188-I199 HydrophobicContact CB-CD1 4.17Å; F188-I199 HydrophobicContact CD2-CD1 3.15Å; F188-I199 HydrophobicContact CD2-CG1 3.65Å; F188-I199 HydrophobicContact CE2-CD1 3.74Å; F188-I199 HydrophobicContact CE2-CG1 3.7Å; F188-I199 HydrophobicContact CG-CD1 3.96Å
189S80.9Confident75Confident79 Ų7966 Ų6655%0.55236%0.356SS*.Hα-helixtrans-57.6-36.9175.1-63.50000112.2E185 H191E185-S189 VanDerWaalsContact O-CB 3.3Å; E185-S189 WeakPolarHBondContact O-CB 3.47Å; E185-S189 PolarHBondContact O-N 3.06Å; E185-S189 PolarHBondContact O-OG 3.03Å; S189-H191 VanDerWaalsContact C-N 3.29Å; S189-H191 PolarHBondContact O-N 3.36Å
190A78.6Confident75.1Confident19 Ų1967.3 Ų67.316%0.15736%0.362CS..Hα-helixtrans-67.7-28.5175.300000113.2M186 V187 F188M186-A190 WeakPolarHBondContact O-CB 3.39Å; M186-A190 PolarHBondContact O-N 2.87Å; V187-A190 WeakPolarHBondContact O-CB 3.43Å; V187-A190 PolarHBondContact O-N 3.08Å; F188-A190 PolarHBondContact O-N 3.08Å
191H74.4Confident75Confident7 Ų761.5 Ų61.53%0.03234%0.336CS..Hα-helixtrans-84.8-32.7178.3-83.6-109.5000113.4V187 F188 S189 K193 I199 K209 Y210V187-H191 PolarHBondContact O-CD2 3.46Å; V187-H191 VanDerWaalsContact O-CD2 3.25Å; V187-H191 PolarHBondContact O-N 3.35Å; V187-H191 VanDerWaalsContact O-N 3.12Å; F188-H191 WeakPolarHBondContact O-CA 3.49Å; F188-H191 PolarHBondContact O-N 3.41Å; S189-H191 VanDerWaalsContact C-N 3.29Å; S189-H191 PolarHBondContact O-N 3.36Å; H191-K193 VanDerWaalsContact C-N 3.3Å; H191-K193 PolarHBondContact O-N 3.5Å; H191-I199 HydrophobicContact CB-CD1 4.38Å; H191-I199 HydrophobicContact CB-CG1 4.08Å; H191-K209 HydrophobicContact CB-CD 4.28Å; H191-K209 PolarHBondContact O-NZ 3.12Å; H191-Y210 AromaticContact NE2-CD1 3.34Å; H191-Y210 VanDerWaalsContact NE2-CD1 3.34Å; H191-Y210 WeakPolarHBondContact NE2-CD1 3.47Å; H191-Y210 AromaticContact NE2-CE1 3.86Å
192N72.9Confident75.2Confident51 Ų5162.3 Ų62.327%0.27334%0.336SS..  trans-86.622.9-175.6-162.113.1000114.7F188 K194 G195 E196 G197F188-N192 HydrophobicContact CD1-CB 4.35Å; F188-N192 HydrophobicContact CE1-CB 4.09Å; F188-N192 PolarHBondContact O-N 3.21Å; N192-K194 PolarHBondContact O-N 2.93Å; N192-G195 PolarHBondContact O-N 3.42Å; N192-G195 WeakPolarHBondContact OD1-CA 3.41Å; N192-G195 PolarHBondContact OD1-N 3.42Å; N192-E196 PolarHBondContact OD1-N 3.01Å; N192-E196 VanDerWaalsContact OD1-N 3.13Å; N192-G197 PolarHBondContact OD1-N 3.37Å
193K66.5Low75.2Confident173 Ų17359 Ų5975%0.75232%0.319SS*.THydrogen-bonded Turntrans-60.9-11.1178.1-70.6-175.6178.9-177.40114.8H191H191-K193 VanDerWaalsContact C-N 3.3Å; H191-K193 PolarHBondContact O-N 3.5Å
194K61.5Low75.3Confident165 Ų16556.8 Ų56.872%0.71731%0.308SS*.THydrogen-bonded Turntrans-100.8-4.6178.2-67.5-172.1176.9-174.30114.2N192 E196N192-K194 PolarHBondContact O-N 2.93Å; K194-E196 VanDerWaalsContact C-N 3.33Å; K194-E196 HydrophobicContact CB-CG 4.22Å
195G59.5Low75.6Confident66 Ų6656.7 Ų56.768%0.6831%0.308SS*.SBendtrans72.321.4-179.500000114.8N192N192-G195 PolarHBondContact O-N 3.42Å; N192-G195 WeakPolarHBondContact OD1-CA 3.41Å; N192-G195 PolarHBondContact OD1-N 3.42Å
196E61.3Low75.7Confident129 Ų12957 Ų5760%0.60331%0.308SS*.  trans-87.4-9.2-177-71.2170.6-175.400112.8N192 K194 L198N192-E196 PolarHBondContact OD1-N 3.01Å; N192-E196 VanDerWaalsContact OD1-N 3.13Å; K194-E196 VanDerWaalsContact C-N 3.33Å; K194-E196 HydrophobicContact CB-CG 4.22Å; E196-L198 WeakPolarHBondContact O-CG 3.49Å; E196-L198 PolarHBondContact O-N 3.15Å
197G66.4Low75.7Confident31 Ų3152.7 Ų52.732%0.3229%0.287SS..  trans67-6177.900000115.5F188 N192F188-G197 WeakPolarHBondContact CZ-O 3.38Å; N192-G197 PolarHBondContact OD1-N 3.37Å
198L74.4Confident75.7Confident70 Ų7054.7 Ų54.737%0.36630%0.299SS..  trans-113.1133.8-172.2-68.4159.5000111.4N162 D164 E196N162-L198 HydrophobicContact CB-CB 4.34Å; N162-L198 HydrophobicContact CB-CD2 4.22Å; D164-L198 WeakPolarHBondContact OD1-CD2 3.27Å; E196-L198 WeakPolarHBondContact O-CG 3.49Å; E196-L198 PolarHBondContact O-N 3.15Å
199I76.1Confident75.6Confident1 Ų156.9 Ų56.91%0.00531%0.308CS..EExtended strand (participates in β ladder)trans-97.4124.1171.5-68.1-173.9000110.3N162 A163 F168 F188 H191 V201 F204N162-I199 CarbonylContact C-O 3.58Å; N162-I199 WeakPolarHBondContact CA-O 3.39Å; A163-I199 PolarHBondContact N-O 2.95Å; A163-I199 PolarHBondContact O-N 3.2Å; F168-I199 HydrophobicContact CD1-CD1 3.85Å; F168-I199 HydrophobicContact CE1-CD1 3.85Å; F168-I199 HydrophobicContact CE2-CG2 4.3Å; F168-I199 HydrophobicContact CG-CD1 4.3Å; F168-I199 HydrophobicContact CZ-CD1 4.33Å; F168-I199 HydrophobicContact CZ-CG2 4.47Å; F188-I199 HydrophobicContact CB-CD1 4.17Å; F188-I199 HydrophobicContact CD2-CD1 3.15Å; F188-I199 HydrophobicContact CD2-CG1 3.65Å; F188-I199 HydrophobicContact CE2-CD1 3.74Å; F188-I199 HydrophobicContact CE2-CG1 3.7Å; F188-I199 HydrophobicContact CG-CD1 3.96Å; H191-I199 HydrophobicContact CB-CD1 4.38Å; H191-I199 HydrophobicContact CB-CG1 4.08Å; I199-V201 PolarHBondContact O-N 2.59Å; I199-F204 HydrophobicContact CG2-CB 4.33Å
200N81.4Confident75.6Confident50 Ų5053.1 Ų53.127%0.26728%0.282SS..EExtended strand (participates in β ladder)trans-76.1115.5164.4-166.7-65000110.9G161 N162 N202 D203 F204G161-N200 WeakPolarHBondContact O-CA 3.16Å; N162-N200 PolarHBondContact OD1-ND2 3.41Å; N200-N202 VanDerWaalsContact C-N 3.27Å; N200-N202 PolarHBondContact O-N 2.98Å; N200-N202 WeakPolarHBondContact OD1-CB 3.17Å; N200-N202 PolarHBondContact OD1-N 3.23Å; N200-D203 HydrophobicContact CB-CB 4.2Å; N200-D203 WeakPolarHBondContact O-CB 3.33Å; N200-D203 PolarHBondContact O-N 3.26Å; N200-D203 VanDerWaalsContact O-N 3.08Å; N200-D203 PolarHBondContact OD1-N 2.82Å; N200-F204 PolarHBondContact O-N 3.45Å
201V80.1Confident75.8Confident5 Ų552.2 Ų52.23%0.0328%0.275CS..Hα-helixtrans-61.3-35-176.4-179.10000111.7L152 F156 G161 I199 D203 F204 V205L152-V201 HydrophobicContact CB-CG1 4.41Å; F156-V201 HydrophobicContact CB-CG2 3.94Å; F156-V201 HydrophobicContact CD1-CG2 4.16Å; F156-V201 HydrophobicContact CD2-CB 4.32Å; F156-V201 HydrophobicContact CD2-CG1 3.84Å; F156-V201 HydrophobicContact CD2-CG2 3.51Å; F156-V201 HydrophobicContact CE2-CG1 4.35Å; F156-V201 HydrophobicContact CE2-CG2 4.04Å; F156-V201 HydrophobicContact CG-CG2 3.6Å; G161-V201 PolarHBondContact O-N 3.08Å; I199-V201 PolarHBondContact O-N 2.59Å; V201-D203 VanDerWaalsContact C-N 3.34Å; V201-D203 PolarHBondContact O-N 3.42Å; V201-F204 WeakPolarHBondContact O-CB 3.48Å; V201-F204 PolarHBondContact O-N 2.99Å; V201-V205 WeakPolarHBondContact O-CG2 3.39Å; V201-V205 PolarHBondContact O-N 3.06Å
202N82Confident76Confident74 Ų7455.2 Ų55.240%0.39629%0.287SS..Hα-helixtrans-68.9-32.4177.7-75-49.9000112.7N200 F204 K206N200-N202 VanDerWaalsContact C-N 3.27Å; N200-N202 PolarHBondContact O-N 2.98Å; N200-N202 WeakPolarHBondContact OD1-CB 3.17Å; N200-N202 PolarHBondContact OD1-N 3.23Å; N202-F204 VanDerWaalsContact C-N 3.33Å; N202-K206 WeakPolarHBondContact O-CB 3.02Å; N202-K206 WeakPolarHBondContact O-CD 3.4Å; N202-K206 WeakPolarHBondContact O-CG 3.1Å; N202-K206 PolarHBondContact O-N 3.19Å
203D82.8Confident76.3Confident48 Ų4861 Ų6126%0.25731%0.31SS..Hα-helixtrans-71.8-32.8175.2-80.5-10.3000111.6N200 V201 G207 T208 K209N200-D203 HydrophobicContact CB-CB 4.2Å; N200-D203 WeakPolarHBondContact O-CB 3.33Å; N200-D203 PolarHBondContact O-N 3.26Å; N200-D203 VanDerWaalsContact O-N 3.08Å; N200-D203 PolarHBondContact OD1-N 2.82Å; V201-D203 VanDerWaalsContact C-N 3.34Å; V201-D203 PolarHBondContact O-N 3.42Å; D203-G207 PolarHBondContact O-N 3Å; D203-T208 PolarHBondContact O-N 2.81Å; D203-T208 PolarHBondContact O-OG1 2.69Å; D203-K209 IonicContact OD2-NZ 2.72Å
204F85.3Confident76.8Confident0 Ų057.4 Ų57.40%030%0.303CS..Hα-helixtrans-65.3-56.1174.9171.6-108.1000111L141 F168 L172 V187 I199 N200 V201 N202 K206 G207 Y210L141-F204 HydrophobicContact CD1-CZ 4.08Å; L141-F204 HydrophobicContact CD2-CE2 4.01Å; L141-F204 HydrophobicContact CD2-CZ 4.13Å; L141-F204 HydrophobicContact CG-CE2 4.37Å; L141-F204 HydrophobicContact CG-CZ 4.1Å; F168-F204 HydrophobicContact CE2-CD1 4.03Å; F168-F204 HydrophobicContact CE2-CE1 4.27Å; F168-F204 HydrophobicContact CE2-CG 4.23Å; F168-F204 AromaticContact CZ-CD1 3.84Å; F168-F204 HydrophobicContact CZ-CD1 3.84Å; F168-F204 AromaticContact CZ-CD2 3.8Å; F168-F204 HydrophobicContact CZ-CD2 3.8Å; F168-F204 AromaticContact CZ-CE1 3.88Å; F168-F204 HydrophobicContact CZ-CE1 3.88Å; F168-F204 AromaticContact CZ-CE2 3.85Å; F168-F204 HydrophobicContact CZ-CE2 3.85Å; F168-F204 AromaticContact CZ-CG 3.8Å; F168-F204 HydrophobicContact CZ-CG 3.8Å; F168-F204 AromaticContact CZ-CZ 3.88Å; F168-F204 HydrophobicContact CZ-CZ 3.88Å; L172-F204 HydrophobicContact CD2-CE1 4.39Å; L172-F204 HydrophobicContact CD2-CZ 4.25Å; V187-F204 HydrophobicContact CG1-CD2 4Å; V187-F204 HydrophobicContact CG1-CE2 3.96Å; I199-F204 HydrophobicContact CG2-CB 4.33Å; N200-F204 PolarHBondContact O-N 3.45Å; V201-F204 WeakPolarHBondContact O-CB 3.48Å; V201-F204 PolarHBondContact O-N 2.99Å; N202-F204 VanDerWaalsContact C-N 3.33Å; F204-K206 PolarHBondContact O-N 3.25Å; F204-G207 WeakPolarHBondContact O-CA 3.01Å; F204-G207 PolarHBondContact O-N 2.92Å; F204-Y210 AromaticContact CD2-CE1 3.79Å; F204-Y210 HydrophobicContact CD2-CE1 3.79Å; F204-Y210 HydrophobicContact CE2-CE1 4.22Å; F204-Y210 WeakPolarHBondContact O-CE1 3.42Å; F204-Y210 PolarHBondContact O-OH 3.25Å
205V84.6Confident77.7Confident4 Ų451.3 Ų51.32%0.02428%0.276CS..Hα-helixtrans-56.7-38.1178.4175.90000112.1H142 N146 Q149 L152 V201 G207H142-V205 PolarHBondContact CD2-O 3.09Å; H142-V205 PolarHBondContact NE2-O 3.1Å; N146-V205 PolarHBondContact ND2-O 3.39Å; N146-V205 VanDerWaalsContact ND2-O 3.13Å; Q149-V205 HydrophobicContact CB-CG1 4.16Å; Q149-V205 HydrophobicContact CG-CG1 3.96Å; L152-V205 HydrophobicContact CD1-CG2 4.2Å; V201-V205 WeakPolarHBondContact O-CG2 3.39Å; V201-V205 PolarHBondContact O-N 3.06Å; V205-G207 PolarHBondContact O-N 2.9Å
206K81.3Confident78.8Confident111 Ų11150 Ų5048%0.48325%0.251SS..THydrogen-bonded Turntrans-73.9-11177.4-70.4171.9-171.7162.50113.9N202 F204 T208N202-K206 WeakPolarHBondContact O-CB 3.02Å; N202-K206 WeakPolarHBondContact O-CD 3.4Å; N202-K206 WeakPolarHBondContact O-CG 3.1Å; N202-K206 PolarHBondContact O-N 3.19Å; F204-K206 PolarHBondContact O-N 3.25Å; K206-T208 VanDerWaalsContact C-N 3.26Å; K206-T208 HydrophobicContact CB-CG2 3.7Å; K206-T208 PolarHBondContact O-N 3.43Å
207G80.6Confident79.4Confident0 Ų044.4 Ų44.40%023%0.225CC..THydrogen-bonded Turntrans64.128179.800000113.6D203 F204 V205 K209 I211 R216D203-G207 PolarHBondContact O-N 3Å; F204-G207 WeakPolarHBondContact O-CA 3.01Å; F204-G207 PolarHBondContact O-N 2.92Å; V205-G207 PolarHBondContact O-N 2.9Å; G207-K209 PolarHBondContact O-N 2.81Å; G207-I211 WeakPolarHBondContact O-CB 3.3Å; G207-I211 PolarHBondContact O-N 3Å; G207-R216 PolarHBondContact O-NE 3.32Å; G207-R216 PolarHBondContact O-NH2 3.1Å
208T79.6Confident79.4Confident43 Ų4346.8 Ų46.826%0.26423%0.233SC..THydrogen-bonded Turntrans-72.7-31.4-165.658.60000114.2D203 K206 R216D203-T208 PolarHBondContact O-N 2.81Å; D203-T208 PolarHBondContact O-OG1 2.69Å; K206-T208 VanDerWaalsContact C-N 3.26Å; K206-T208 HydrophobicContact CB-CG2 3.7Å; K206-T208 PolarHBondContact O-N 3.43Å; T208-R216 PolarHBondContact O-NH2 3.47Å
209K78.3Confident78.7Confident68 Ų6845.9 Ų45.930%0.29624%0.241SC..THydrogen-bonded Turntrans-101.3-32.2-173-59.2-175.6-174.81720113.4H191 D203 G207H191-K209 HydrophobicContact CB-CD 4.28Å; H191-K209 PolarHBondContact O-NZ 3.12Å; D203-K209 IonicContact OD2-NZ 2.72Å; G207-K209 PolarHBondContact O-N 2.81Å
210Y79.7Confident78.2Confident1 Ų146.1 Ų46.10%0.00424%0.242CC..THydrogen-bonded Turntrans-102.6-16.7-176.767.9-76.5000114.8M133 V187 H191 F204M133-Y210 WeakPolarHBondContact CB-O 3.33Å; M133-Y210 PolarHBondContact N-O 2.7Å; V187-Y210 HydrophobicContact CG1-CD1 3.96Å; V187-Y210 HydrophobicContact CG1-CD2 4.29Å; V187-Y210 HydrophobicContact CG1-CE1 4.24Å; V187-Y210 HydrophobicContact CG1-CG 4.01Å; V187-Y210 HydrophobicContact CG2-CD2 4.05Å; V187-Y210 HydrophobicContact CG2-CE2 4.47Å; V187-Y210 HydrophobicContact CG2-CG 4.39Å; H191-Y210 AromaticContact NE2-CD1 3.34Å; H191-Y210 VanDerWaalsContact NE2-CD1 3.34Å; H191-Y210 WeakPolarHBondContact NE2-CD1 3.47Å; H191-Y210 AromaticContact NE2-CE1 3.86Å; F204-Y210 AromaticContact CD2-CE1 3.79Å; F204-Y210 HydrophobicContact CD2-CE1 3.79Å; F204-Y210 HydrophobicContact CE2-CE1 4.22Å; F204-Y210 WeakPolarHBondContact O-CE1 3.42Å; F204-Y210 PolarHBondContact O-OH 3.25Å
211I82.3Confident76.6Confident0 Ų047.6 Ų47.60%025%0.253CS..SBendtrans-116.8137.5-177-59.6167.1000112.5L139 H142 G207 F215 R216L139-I211 HydrophobicContact CD2-CG2 3.98Å; H142-I211 HydrophobicContact CB-CD1 3.24Å; H142-I211 VanDerWaalsContact CD2-CD1 3.42Å; H142-I211 WeakPolarHBondContact CD2-CD1 3Å; G207-I211 WeakPolarHBondContact O-CB 3.3Å; G207-I211 PolarHBondContact O-N 3Å; I211-F215 HydrophobicContact CG2-CB 3.97Å; I211-R216 HydrophobicContact CG2-CG 4.15Å; I211-R216 PolarHBondContact O-NE 3.13Å; I211-R216 VanDerWaalsContact O-NE 3.16Å; I211-R216 PolarHBondContact O-NH2 3.43Å
212K80.4Confident74.6Confident69 Ų6953.6 Ų53.630%0.329%0.29SS..  trans-60.1134172.2-72.4176.5-175.5165.10111.3M132 V214 F215M132-K212 HydrophobicContact CB-CG 3.61Å; M132-K212 VanDerWaalsContact O-CE 3.23Å; M132-K212 WeakPolarHBondContact O-CE 3.42Å; M132-K212 HydrophobicContact SD-CG 4.42Å; K212-V214 PolarHBondContact O-N 3.09Å; K212-F215 HydrophobicContact CB-CD2 3.8Å; K212-F215 HydrophobicContact CB-CE2 4.25Å; K212-F215 HydrophobicContact CD-CE2 4.27Å; K212-F215 PolarHBondContact O-N 3.08Å
213K77.9Confident72.2Confident172 Ų17255.9 Ų55.975%0.74830%0.298SS*.G310 helixtrans-49-30.9-177.5-173.8178.3178.2-179.20114.9F215K213-F215 VanDerWaalsContact C-N 3.28Å; K213-F215 PolarHBondContact O-N 2.9Å
214V77.9Confident69.8Low98 Ų9861.7 Ų61.759%0.59432%0.321SS*.G310 helixtrans-69.1-23.6-177.5-178.30000113.2Q83 K212Q83-V214 PolarHBondContact NE2-O 2.91Å; Q83-V214 PolarHBondContact OE1-O 3.4Å; K212-V214 PolarHBondContact O-N 3.09Å
215F80.5Confident67.1Low37 Ų3771.9 Ų71.916%0.16237%0.365CS..G310 helixtrans-102.7-3-175.2-63.1-88.6000114.2Q83 R84 L139 I211 K212 K213Q83-F215 HydrophobicContact CB-CD1 3.76Å; Q83-F215 HydrophobicContact CB-CE1 3.83Å; Q83-F215 HydrophobicContact CG-CD1 3.84Å; Q83-F215 HydrophobicContact CG-CE1 3.74Å; R84-F215 PolarHBondContact NH2-O 3.11Å; L139-F215 HydrophobicContact CD1-CD1 3.96Å; L139-F215 HydrophobicContact CD1-CE1 4.44Å; L139-F215 HydrophobicContact CD2-CB 3.57Å; L139-F215 HydrophobicContact CD2-CD1 4.29Å; L139-F215 HydrophobicContact CD2-CG 4.08Å; I211-F215 HydrophobicContact CG2-CB 3.97Å; K212-F215 HydrophobicContact CB-CD2 3.8Å; K212-F215 HydrophobicContact CB-CE2 4.25Å; K212-F215 HydrophobicContact CD-CE2 4.27Å; K212-F215 PolarHBondContact O-N 3.08Å; K213-F215 VanDerWaalsContact C-N 3.28Å; K213-F215 PolarHBondContact O-N 2.9Å
216R82.4Confident64.4Low38 Ų3879.9 Ų79.914%0.14340%0.4CS..SBendtrans-74.9137.8-179.3-60.7-178.1-168.6173.13.3111.1G207 T208 I211 T218 G219G207-R216 PolarHBondContact O-NE 3.32Å; G207-R216 PolarHBondContact O-NH2 3.1Å; T208-R216 PolarHBondContact O-NH2 3.47Å; I211-R216 HydrophobicContact CG2-CG 4.15Å; I211-R216 PolarHBondContact O-NE 3.13Å; I211-R216 VanDerWaalsContact O-NE 3.16Å; I211-R216 PolarHBondContact O-NH2 3.43Å; R216-T218 PolarHBondContact O-N 2.85Å; R216-T218 VanDerWaalsContact O-N 3.13Å; R216-G219 PolarHBondContact O-N 2.91Å; R216-G219 VanDerWaalsContact O-N 3.09Å
217L74.6Confident62Low12 Ų1283.3 Ų83.36%0.06342%0.415CS..G310 helixtrans-57.4-27.1179-66.5179.2000114.6M46 F80 D143 N146 G219 Y220 T221M46-L217 HydrophobicContact CE-CB 4.47Å; M46-L217 HydrophobicContact CE-CD1 3.91Å; M46-L217 HydrophobicContact CE-CD2 3.71Å; M46-L217 HydrophobicContact CE-CG 4.24Å; M46-L217 HydrophobicContact SD-CD2 4.43Å; F80-L217 HydrophobicContact CD2-CD2 4.5Å; F80-L217 HydrophobicContact CE2-CD2 3.69Å; F80-L217 HydrophobicContact CZ-CD2 4.49Å; D143-L217 WeakPolarHBondContact OD1-CD1 3.38Å; D143-L217 WeakPolarHBondContact OD1-CD2 3.24Å; N146-L217 HydrophobicContact CB-CD1 3.83Å; L217-G219 PolarHBondContact O-N 2.91Å; L217-Y220 WeakPolarHBondContact O-CB 3.38Å; L217-Y220 PolarHBondContact O-N 2.8Å; L217-T221 PolarHBondContact O-N 2.93Å
218T65Low59.5Low81 Ų8192.7 Ų92.750%0.49746%0.458SS..G310 helixtrans-58.4-18.117559.20000114.7R216 T221R216-T218 PolarHBondContact O-N 2.85Å; R216-T218 VanDerWaalsContact O-N 3.13Å; T218-T221 PolarHBondContact O-OG1 3.22Å
219G60.1Low57.2Low51 Ų51100.7 Ų100.753%0.52649%0.489SS..G310 helixtrans-88.8-4175.600000114.5R216 L217R216-G219 PolarHBondContact O-N 2.91Å; R216-G219 VanDerWaalsContact O-N 3.09Å; L217-G219 PolarHBondContact O-N 2.91Å
220Y65.8Low54.7Low7 Ų7101.2 Ų101.23%0.02752%0.515CS..THydrogen-bonded Turntrans-109.9-34.2-179.6-70.4-84000112.6F42 L76 K79 F80 Q83 L217 T222F42-Y220 HydrophobicContact CE2-CD1 4.27Å; F42-Y220 AromaticContact CZ-CD1 3.73Å; F42-Y220 HydrophobicContact CZ-CD1 3.73Å; F42-Y220 AromaticContact CZ-CG 3.95Å; F42-Y220 HydrophobicContact CZ-CG 3.95Å; L76-Y220 HydrophobicContact CD2-CD1 4.4Å; K79-Y220 HydrophobicContact CB-CE1 4.26Å; K79-Y220 HydrophobicContact CD-CE1 3.7Å; K79-Y220 WeakPolarHBondContact CE-OH 3.48Å; K79-Y220 HydrophobicContact CG-CE1 4Å; F80-Y220 HydrophobicContact CB-CD1 4.47Å; F80-Y220 HydrophobicContact CB-CE1 3.9Å; F80-Y220 HydrophobicContact CD2-CD2 4.47Å; F80-Y220 HydrophobicContact CD2-CE1 4.26Å; F80-Y220 HydrophobicContact CD2-CE2 4.19Å; Q83-Y220 PolarHBondContact NE2-OH 3.3Å; Q83-Y220 PolarHBondContact OE1-OH 3.01Å; L217-Y220 WeakPolarHBondContact O-CB 3.38Å; L217-Y220 PolarHBondContact O-N 2.8Å; Y220-T222 PolarHBondContact O-N 3.34Å
221T48.5Very low52.2Low80 Ų80106 Ų10649%0.49155%0.554SS.*SBendtrans-65.1119.5168.256.70000108.5L217 T218 Q223L217-T221 PolarHBondContact O-N 2.93Å; T218-T221 PolarHBondContact O-OG1 3.22Å; T221-Q223 PolarHBondContact O-N 3.48Å
222T38Very low49.9Very low132 Ų132116.5 Ų116.581%0.8160%0.6SS**  trans-52.1106.5169.837.20000108.3Y220 K224Y220-T222 PolarHBondContact O-N 3.34Å; T222-K224 PolarHBondContact O-N 2.99Å
223Q31.2Very low47.6Very low122 Ų122122.6 Ų122.657%0.5763%0.626SS**  trans-58.6116.1168.3-69.3-152.53.400106.9T221 K225T221-Q223 PolarHBondContact O-N 3.48Å; Q223-K225 PolarHBondContact O-N 2.98Å
224K31.3Very low45.4Very low170 Ų170124.7 Ų124.774%0.73964%0.635SS**  trans-40.6110.8143.4-84.9-178174.5175.50105.4T222 K226T222-K224 PolarHBondContact O-N 2.99Å; K224-K226 PolarHBondContact O-N 3.3Å
225K29.8Very low43.3Very low214 Ų214129.2 Ų129.293%0.9365%0.647SS**  trans-36.395.3-170-80.6178175.9172.20111.3Q223Q223-K225 PolarHBondContact O-N 2.98Å
226K27.6Very low41.2Very low172 Ų172137.6 Ų137.675%0.74868%0.683SS**  trans-89.1113.3168.8-125.9177.9-176.1174.80105.8K224 E228K224-K226 PolarHBondContact O-N 3.3Å; K226-E228 PolarHBondContact O-N 3.04Å
227K30.6Very low39Very low183 Ų183145.4 Ų145.480%0.79672%0.718SS**  trans-29.4114.6175.8-72.5172.4173.7172.80112.1K229K227-K229 PolarHBondContact O-N 2.88Å
228E27.5Very low37.4Very low197 Ų197147.5 Ų147.592%0.92174%0.743SS**  trans-60.7114.9166.8-81.1-175.4141.900109.5K226K226-E228 PolarHBondContact O-N 3.04Å
229K31.2Very low36.4Very low210 Ų210149.9 Ų149.991%0.91376%0.759SS**  trans-93.7111.9158.4-80.3-173.6176.1179.60108.7K227K227-K229 PolarHBondContact O-N 2.88Å
230G27Very low35.5Very low80 Ų80155.9 Ų155.983%0.82577%0.772SS**  87.781127.800000118.8
231A27.8Very low34.4Very low100 Ų100161.3 Ų161.383%0.82681%0.805SS**  trans-101.5125.5144.900000108.7K233A231-K233 PolarHBondContact O-N 3.06Å
232K33.5Very low34.2Very low221 Ų221163.7 Ų163.796%0.96181%0.814SS**  trans-56.4103.3179.9-77175.5175.3174.70110.9
233K30.5Very low34.4Very low198 Ų198161.8 Ų161.886%0.86180%0.804SS**  trans-130.7133.9156.3-98.9-176.4175.9179.20108.9A231 K235A231-K233 PolarHBondContact O-N 3.06Å; K233-K235 PolarHBondContact O-N 3.49Å
234K33.3Very low35.1Very low215 Ų215162.2 Ų162.294%0.93581%0.809SS**  trans-46.9122.4-174.9-73.5176173178.10111.3K236K234-K236 PolarHBondContact O-N 2.67Å
235K33.3Very low35.8Very low194 Ų194158.8 Ų158.884%0.84380%0.804SS**  trans-70.8113.4175.6-74.1179.6175.7177.50110K233K233-K235 PolarHBondContact O-N 3.49Å
236K36.4Very low36.8Very low212 Ų212155.9 Ų155.992%0.92280%0.797SS**  trans-88.7119.7141.5-83.1-171.7174.8-176.40106.3K234 G238K234-K236 PolarHBondContact O-N 2.67Å; K236-G238 PolarHBondContact O-N 2.83Å; K236-G238 VanDerWaalsContact O-N 3.12Å
237K36.2Very low38.1Very low203 Ų203149.9 Ų149.988%0.88378%0.776SS**  trans-72.698.6178.1-70.5-177.4178.6178.50108.4
238G41.8Very low39.3Very low56 Ų56143.9 Ų143.958%0.57776%0.755SS**  trans-74159.8152.700000109.7K236 F240K236-G238 PolarHBondContact O-N 2.83Å; K236-G238 VanDerWaalsContact O-N 3.12Å; G238-F240 PolarHBondContact O-N 2.9Å
239P42.1Very low40.6Very low130 Ų130138.1 Ų138.184%0.84473%0.73SS**  trans-58129.1-179.223.5-31.1000110.2V241P239-V241 PolarHBondContact O-N 2.96Å
240F41.2Very low42Very low178 Ų178131.1 Ų131.178%0.78171%0.705SS**  trans-71.2106.9-178.4-179.3-95.3000109.2G238 L242G238-F240 PolarHBondContact O-N 2.9Å; F240-L242 HydrophobicContact CE1-CD2 4.1Å; F240-L242 HydrophobicContact CE1-CG 4.27Å
241V44Very low43.5Very low121 Ų121131.8 Ų131.873%0.73370%0.695SS**  trans-85.3118.2170.1-177.50000107.8P239P239-V241 PolarHBondContact O-N 2.96Å
242L44.1Very low45.1Very low129 Ų129134.5 Ų134.568%0.67569%0.69SS**  trans-54.8126.1168.8-79.1155.1000108.2F240 I244F240-L242 HydrophobicContact CE1-CD2 4.1Å; F240-L242 HydrophobicContact CE1-CG 4.27Å; L242-I244 VanDerWaalsContact C-N 3.29Å; L242-I244 PolarHBondContact O-N 3.14Å
243P42.3Very low46.4Very low93 Ų93129.6 Ų129.660%0.60467%0.674SS**  trans-66.699167.726.1-28.6000106.6
244I46.5Very low48.2Very low131 Ų131121.1 Ų121.167%0.67264%0.637SS**  trans-55122.8170.1-53.4172.8000105.1L242 I246L242-I244 VanDerWaalsContact C-N 3.29Å; L242-I244 PolarHBondContact O-N 3.14Å; I244-I246 PolarHBondContact O-N 3.24Å
245P45.7Very low49.8Very low98 Ų98115.7 Ų115.764%0.63662%0.624SS**  trans-54.5137.8173.924-31.4000107.2C247P245-C247 VanDerWaalsContact C-N 3.32Å; P245-C247 PolarHBondContact O-N 3.13Å; P245-C247 PolarHBondContact O-SG 3.43Å
246I49.6Very low51.9Low152 Ų152115 Ų11578%0.77962%0.616SS**  trans-59.5105.7170.4-64.4166.9000104.9I244 T248I244-I246 PolarHBondContact O-N 3.24Å; I246-T248 WeakPolarHBondContact CG2-OG1 3.21Å; I246-T248 PolarHBondContact O-N 3.31Å
247C55.3Low53.8Low47 Ų47106.8 Ų106.832%0.31858%0.579SS.*  trans-74.328-172-64.10000112.6P245 Q367P245-C247 VanDerWaalsContact C-N 3.32Å; P245-C247 PolarHBondContact O-N 3.13Å; P245-C247 PolarHBondContact O-SG 3.43Å; C247-Q367 HydrophobicContact CB-CB 4.29Å
248T55.4Low55.6Low57 Ų57102.8 Ų102.835%0.3557%0.574SS.*SBendtrans-114.5119.3174.357.90000108.5I246 V250 F335I246-T248 WeakPolarHBondContact CG2-OG1 3.21Å; I246-T248 PolarHBondContact O-N 3.31Å; T248-V250 PolarHBondContact O-N 2.93Å; T248-F335 HydrophobicContact CG2-CD1 4.12Å; T248-F335 HydrophobicContact CG2-CE1 3.8Å
249L55.5Low57Low75 Ų75107 Ų10739%0.39358%0.583SS.*  trans-62.6120.1170-81.6154.8000107.9K254 Y336L249-K254 HydrophobicContact CB-CG 4.21Å; L249-K254 WeakPolarHBondContact O-CE 3.26Å; L249-Y336 HydrophobicContact CD1-CE1 4.36Å; L249-Y336 WeakPolarHBondContact CD1-OH 3.43Å
250V60.9Low58.5Low64 Ų64103.3 Ų103.339%0.38857%0.569SS.*  trans-53.8133.9174.4-174.70000108.1T248 E252 L253T248-V250 PolarHBondContact O-N 2.93Å; V250-E252 HydrophobicContact CG1-CB 4.2Å; V250-E252 HydrophobicContact CG1-CG 4.25Å; V250-E252 PolarHBondContact O-N 3.07Å; V250-L253 HydrophobicContact CB-CD1 4.38Å; V250-L253 PolarHBondContact O-N 2.99Å
251P59.1Low60.2Low94 Ų9495.7 Ų95.761%0.6154%0.54SS*.G310 helixtrans-50.5-27.8-177.6-30.635.8000114.9
252E61.1Low62.1Low156 Ų15691.1 Ų91.173%0.72951%0.513SS*.G310 helixtrans-69.3-24.6176.8-62.2165.2-178.400114.5V250V250-E252 HydrophobicContact CG1-CB 4.2Å; V250-E252 HydrophobicContact CG1-CG 4.25Å; V250-E252 PolarHBondContact O-N 3.07Å
253L60.4Low64Low118 Ų11886 Ų8662%0.61849%0.488SS*.G310 helixtrans-98.72.9-177.4-67.5172.5000112.8V250V250-L253 HydrophobicContact CB-CD1 4.38Å; V250-L253 PolarHBondContact O-N 2.99Å
254K68.4Low66Low20 Ų2084.5 Ų84.59%0.08747%0.473CS..SBendtrans-83.3126.8179.7-59.3-168.6-168173.60109.6L249 R256 P263 F265 E334L249-K254 HydrophobicContact CB-CG 4.21Å; L249-K254 WeakPolarHBondContact O-CE 3.26Å; K254-R256 PolarHBondContact O-N 2.85Å; K254-R256 VanDerWaalsContact O-N 3.15Å; K254-P263 HydrophobicContact CB-CG 4.04Å; K254-F265 HydrophobicContact CD-CE1 3.45Å; K254-F265 VanDerWaalsContact CD-CE1 3.45Å; K254-F265 HydrophobicContact CD-CZ 3.62Å; K254-F265 VanDerWaalsContact NZ-CZ 3.33Å; K254-E334 VanDerWaalsContact NZ-CD 3.29Å; K254-E334 IonicContact NZ-OE1 3.99Å; K254-E334 PolarHBondContact NZ-OE1 3.34Å
255P67.6Low67.8Low102 Ų10279 Ų7966%0.66244%0.444SS*.PPolyproline II helixtrans-60.7121.5178.223.3-30.6000109.4
256R76.7Confident69.8Low178 Ų17877.2 Ų77.267%0.67243%0.428SS*.PPolyproline II helixtrans-72.5160.2170.8-70.8-178.8177-109.9-0.5109.5K254K254-R256 PolarHBondContact O-N 2.85Å; K254-R256 VanDerWaalsContact O-N 3.15Å
257R76.6Confident71.6Confident40 Ų4070 Ų7015%0.15139%0.391CS..PPolyproline II helixtrans-60.3150.9172.1-73.4168.7-169.5-109.15.9110.1D259 G260 G261 P262 H264 M266R257-D259 PolarHBondContact O-N 2.84Å; R257-D259 VanDerWaalsContact O-N 3.14Å; R257-G260 PolarHBondContact O-N 2.8Å; R257-G261 PolarHBondContact N-O 3.21Å; R257-P262 WeakPolarHBondContact CD-O 3.5Å; R257-P262 VanDerWaalsContact CG-O 3.26Å; R257-P262 WeakPolarHBondContact CG-O 3.48Å; R257-P262 PolarHBondContact NE-O 2.79Å; R257-P262 VanDerWaalsContact NE-O 3.15Å; R257-H264 PolarHBondContact NH2-O 3.45Å; R257-M266 PolarHBondContact NH2-O 3.15Å
258P74.4Confident73Confident120 Ų12070 Ų7078%0.77939%0.386SS*.THydrogen-bonded Turntrans-56.5-27.5174.323.2-32.8000112.4G260P258-G260 PolarHBondContact O-N 3.08Å
259D69.9Low74.3Confident144 Ų14471.4 Ų71.477%0.7739%0.387SS*.THydrogen-bonded Turntrans-77.34.3177.3-48.9-52.7000114.2R257 G261R257-D259 PolarHBondContact O-N 2.84Å; R257-D259 VanDerWaalsContact O-N 3.14Å; D259-G261 PolarHBondContact O-N 3.17Å
260G73.6Confident75.3Confident53 Ų5370.7 Ų70.755%0.54638%0.38SS..SBendtrans78.1-0.9-176.700000114.7R257 P258R257-G260 PolarHBondContact O-N 2.8Å; P258-G260 PolarHBondContact O-N 3.08Å
261G76.8Confident75.5Confident17 Ų1770.7 Ų70.718%0.17538%0.376CS..PPolyproline II helixtrans-67.9174176.100000114.3R257 D259R257-G261 PolarHBondContact N-O 3.21Å; D259-G261 PolarHBondContact O-N 3.17Å
262P83.2Confident75.6Confident25 Ų2568.8 Ų68.816%0.16236%0.36CS..SBendtrans-62.8163.4177.429.2-34.1000111.4R257 M266 Y304R257-P262 WeakPolarHBondContact CD-O 3.5Å; R257-P262 VanDerWaalsContact CG-O 3.26Å; R257-P262 WeakPolarHBondContact CG-O 3.48Å; R257-P262 PolarHBondContact NE-O 2.79Å; R257-P262 VanDerWaalsContact NE-O 3.15Å; P262-M266 HydrophobicContact CB-CB 3.91Å; P262-M266 HydrophobicContact CG-CB 4.17Å; P262-Y304 HydrophobicContact CG-CD1 3.38Å; P262-Y304 HydrophobicContact CG-CD2 4.05Å; P262-Y304 HydrophobicContact CG-CE1 3.39Å; P262-Y304 HydrophobicContact CG-CE2 4.08Å; P262-Y304 HydrophobicContact CG-CG 3.7Å
263P84.9Confident75.2Confident22 Ų2263.2 Ų63.214%0.14334%0.335CS..PPolyproline II helixtrans-54.1158.8179.4-26.835.9000113.5K254 F265 M266K254-P263 HydrophobicContact CB-CG 4.04Å; P263-F265 VanDerWaalsContact C-N 3.26Å; P263-F265 HydrophobicContact CB-CD1 3.67Å; P263-F265 HydrophobicContact CB-CE1 3.21Å; P263-F265 HydrophobicContact CB-CZ 3.89Å; P263-F265 HydrophobicContact CG-CE1 3.79Å; P263-F265 HydrophobicContact CG-CZ 4.06Å; P263-F265 PolarHBondContact O-N 3.49Å; P263-F265 VanDerWaalsContact O-N 3.13Å; P263-M266 WeakPolarHBondContact O-CB 3.47Å; P263-M266 PolarHBondContact O-N 2.95Å
264H83.6Confident74.8Confident62 Ų6260.1 Ų60.129%0.28732%0.321SS..THydrogen-bonded Turntrans-57.5-30.4-173.4-64.791000115.2R257 M266 P328 A331R257-H264 PolarHBondContact NH2-O 3.45Å; H264-M266 PolarHBondContact O-N 3.28Å; H264-P328 HydrophobicContact CB-CG 4.25Å; H264-A331 HydrophobicContact CB-CB 4.4Å
265F84.5Confident73.9Confident16 Ų1662.8 Ų62.87%0.0734%0.336CS..THydrogen-bonded Turntrans-73.3-10.9176.566.9-91.2000113.8K254 P263 N306 I307 D333K254-F265 HydrophobicContact CD-CE1 3.45Å; K254-F265 VanDerWaalsContact CD-CE1 3.45Å; K254-F265 HydrophobicContact CD-CZ 3.62Å; K254-F265 VanDerWaalsContact NZ-CZ 3.33Å; P263-F265 VanDerWaalsContact C-N 3.26Å; P263-F265 HydrophobicContact CB-CD1 3.67Å; P263-F265 HydrophobicContact CB-CE1 3.21Å; P263-F265 HydrophobicContact CB-CZ 3.89Å; P263-F265 HydrophobicContact CG-CE1 3.79Å; P263-F265 HydrophobicContact CG-CZ 4.06Å; P263-F265 PolarHBondContact O-N 3.49Å; P263-F265 VanDerWaalsContact O-N 3.13Å; F265-N306 WeakPolarHBondContact O-CA 3.45Å; F265-I307 HydrophobicContact CB-CG2 4.19Å; F265-I307 PolarHBondContact O-N 3.07Å; F265-D333 WeakPolarHBondContact CD2-OD1 3.47Å
266M88.1Confident73Confident59 Ų5962.7 Ų62.729%0.29133%0.334SS..EExtended strand (participates in β ladder)trans-97.6112.1170.6-72.9-74.6-175.400108.5R257 P262 P263 H264 I305R257-M266 PolarHBondContact NH2-O 3.15Å; P262-M266 HydrophobicContact CB-CB 3.91Å; P262-M266 HydrophobicContact CG-CB 4.17Å; P263-M266 WeakPolarHBondContact O-CB 3.47Å; P263-M266 PolarHBondContact O-N 2.95Å; H264-M266 PolarHBondContact O-N 3.28Å; M266-I305 WeakPolarHBondContact CA-O 3.46Å
267I87.6Confident71.8Confident1 Ų164.7 Ų64.71%0.00534%0.341CS..EExtended strand (participates in β ladder)trans-109.1153.1-177.360.9165.3000110.9K269 Y304 I305 I307 C310 L319 A322 V327I267-K269 PolarHBondContact O-N 3.04Å; I267-Y304 CarbonylContact O-C 3.56Å; I267-Y304 VanDerWaalsContact O-CA 3.28Å; I267-Y304 WeakPolarHBondContact O-CA 3.18Å; I267-I305 HydrophobicContact CG1-CG2 4.06Å; I267-I305 WeakPolarHBondContact CG1-O 3.34Å; I267-I305 PolarHBondContact N-O 3.13Å; I267-I305 PolarHBondContact O-N 3.34Å; I267-I307 HydrophobicContact CD1-CB 4.26Å; I267-I307 HydrophobicContact CD1-CG1 4.08Å; I267-I307 HydrophobicContact CG1-CB 4.31Å; I267-I307 HydrophobicContact CG2-CB 4.13Å; I267-I307 HydrophobicContact CG2-CD1 4.18Å; I267-I307 HydrophobicContact CG2-CG1 4.32Å; I267-C310 HydrophobicContact CD1-CB 4.08Å; I267-L319 HydrophobicContact CD1-CD2 4.08Å; I267-A322 HydrophobicContact CB-CB 3.87Å; I267-A322 HydrophobicContact CD1-CB 4.12Å; I267-A322 HydrophobicContact CG2-CB 3.65Å; I267-V327 HydrophobicContact CG2-CG1 4.2Å; I267-V327 HydrophobicContact CG2-CG2 4.43Å
268E85.6Confident70.6Confident46 Ų4668 Ų6822%0.21535%0.354CS..EExtended strand (participates in β ladder)trans-68.4124.1174.7-66-173.5-167.400108.7Y270 K302 Y304 L321E268-Y270 PolarHBondContact O-N 3.41Å; E268-K302 WeakPolarHBondContact OE1-CD 3.37Å; E268-K302 IonicContact OE1-NZ 4Å; E268-K302 PolarHBondContact OE1-NZ 2.91Å; E268-K302 WeakPolarHBondContact OE2-CE 3.19Å; E268-K302 IonicContact OE2-NZ 3.09Å; E268-K302 PolarHBondContact OE2-NZ 3Å; E268-Y304 HydrophobicContact CG-CD1 3.89Å; E268-Y304 HydrophobicContact CG-CE1 3.41Å; E268-Y304 VanDerWaalsContact CG-CE1 3.41Å; E268-Y304 PolarHBondContact OE1-OH 3.04Å; E268-L321 HydrophobicContact CB-CD2 4.47Å
269K82.2Confident69.9Low87 Ų8764.8 Ų64.838%0.37833%0.328SS..PPolyproline II helixtrans-68.8124.4173.6-174.1-178179.6-176.40107.9I267 H271 V303 I305I267-K269 PolarHBondContact O-N 3.04Å; K269-H271 PolarHBondContact O-CE1 2.64Å; K269-H271 VanDerWaalsContact O-CE1 3.29Å; K269-H271 PolarHBondContact O-N 2.94Å; K269-H271 PolarHBondContact O-ND1 2.79Å; K269-V303 PolarHBondContact N-O 3.32Å; K269-I305 HydrophobicContact CB-CB 4.41Å; K269-I305 HydrophobicContact CB-CG2 3.79Å; K269-I305 HydrophobicContact CD-CD1 4.42Å; K269-I305 HydrophobicContact CG-CG2 4.34Å
270Y75.4Confident69.1Low60 Ų6061.5 Ų61.524%0.23531%0.31CS..PPolyproline II helixtrans-63.4120.4169.1-176.5-103.1000108.9E268 N272 E317 S318 L321E268-Y270 PolarHBondContact O-N 3.41Å; Y270-N272 HydrophobicContact CE1-CB 4.08Å; Y270-E317 HydrophobicContact CD1-CB 3.55Å; Y270-E317 HydrophobicContact CD1-CG 4.31Å; Y270-E317 VanDerWaalsContact CD1-OE2 3.26Å; Y270-E317 WeakPolarHBondContact CD1-OE2 3.46Å; Y270-E317 HydrophobicContact CE1-CB 4.09Å; Y270-E317 HydrophobicContact CE1-CG 4.44Å; Y270-E317 VanDerWaalsContact CE1-OE2 3.3Å; Y270-E317 WeakPolarHBondContact CE1-OE2 3.31Å; Y270-E317 HydrophobicContact CG-CB 3.91Å; Y270-S318 WeakPolarHBondContact CB-OG 3.24Å; Y270-S318 PolarHBondContact N-OG 3.19Å; Y270-L321 HydrophobicContact CD2-CD2 4.4Å
271H66.2Low67.9Low65 Ų6565 Ų6530%0.30132%0.316SS..  trans-102.1112.9172.1-65.574.8000106.7K269 L273 P300K269-H271 PolarHBondContact O-CE1 2.64Å; K269-H271 VanDerWaalsContact O-CE1 3.29Å; K269-H271 PolarHBondContact O-N 2.94Å; K269-H271 PolarHBondContact O-ND1 2.79Å; H271-L273 PolarHBondContact O-N 3.38Å; H271-L273 VanDerWaalsContact O-N 3.09Å; H271-P300 HydrophobicContact CB-CG 4.49Å
272N60Low66.6Low53 Ų5371.8 Ų71.828%0.28334%0.344SS..  trans-68.9108.5167.5-164.3-26000107.5Y270 T274Y270-N272 HydrophobicContact CE1-CB 4.08Å; N272-T274 PolarHBondContact O-N 2.69Å; N272-T274 VanDerWaalsContact O-N 3.1Å
273L53.8Low65.5Low40 Ų4077.1 Ų77.121%0.20937%0.366CS..  trans-78.719.4-170.7-80161000113.8H271 D275 W294 I297 P300H271-L273 PolarHBondContact O-N 3.38Å; H271-L273 VanDerWaalsContact O-N 3.09Å; L273-D275 PolarHBondContact O-N 2.84Å; L273-W294 HydrophobicContact CB-CD2 4.46Å; L273-W294 HydrophobicContact CB-CE3 3.99Å; L273-W294 HydrophobicContact CB-CH2 4.35Å; L273-W294 HydrophobicContact CB-CZ3 3.93Å; L273-W294 HydrophobicContact CD1-CZ2 4.45Å; L273-I297 HydrophobicContact CD2-CB 4.48Å; L273-I297 HydrophobicContact CD2-CD1 4.48Å; L273-I297 HydrophobicContact CD2-CG2 3.65Å; L273-I297 WeakPolarHBondContact O-CD1 3.28Å; L273-P300 HydrophobicContact CD1-CG 4.3Å; L273-P300 HydrophobicContact CD2-CB 4.32Å; L273-P300 HydrophobicContact CD2-CG 3.75Å; L273-P300 HydrophobicContact CG-CG 4.36Å
274T51.3Low64.4Low53 Ų5380.6 Ų80.633%0.32539%0.388SS..SBendtrans-72.2119.2167.653.60000108.8N272 V276N272-T274 PolarHBondContact O-N 2.69Å; N272-T274 VanDerWaalsContact O-N 3.1Å; T274-V276 VanDerWaalsContact C-N 3.32Å; T274-V276 PolarHBondContact O-N 3.5Å
275D49.4Very low63.3Low75 Ų7579.8 Ų79.840%0.40139%0.389SS..  trans-55.498.8166.9-177.60.4000108.5L273 R277 R278L273-D275 PolarHBondContact O-N 2.84Å; D275-R277 PolarHBondContact O-N 3.2Å; D275-R277 VanDerWaalsContact O-N 3.08Å; D275-R277 PolarHBondContact OD1-N 3.25Å; D275-R277 VanDerWaalsContact OD1-N 3.16Å; D275-R278 HydrophobicContact CB-CB 4.06Å; D275-R278 PolarHBondContact O-N 2.97Å; D275-R278 VanDerWaalsContact O-N 3.09Å
276V49.9Very low62.5Low101 Ų10187.5 Ų87.561%0.61243%0.43SS*.THydrogen-bonded Turntrans-60.4-25.2-173.4-148.50000110.1T274 F279T274-V276 VanDerWaalsContact C-N 3.32Å; T274-V276 PolarHBondContact O-N 3.5Å; V276-F279 CarbonylContact O-C 3.1Å
277R50.5Low61.3Low219 Ų21989.5 Ų89.583%0.82644%0.438SS*.THydrogen-bonded Turntrans-87.2-12.5-177.8-63.1-173.6176.1-174.9-0.9114.4D275D275-R277 PolarHBondContact O-N 3.2Å; D275-R277 VanDerWaalsContact O-N 3.08Å; D275-R277 PolarHBondContact OD1-N 3.25Å; D275-R277 VanDerWaalsContact OD1-N 3.16Å
278R52.4Low59.9Low111 Ų11194.1 Ų94.142%0.41947%0.468SS..THydrogen-bonded Turntrans-86.9-34177.5-172.7169.8177.3-152.9-3.7111.8D275 D292D275-R278 HydrophobicContact CB-CB 4.06Å; D275-R278 PolarHBondContact O-N 2.97Å; D275-R278 VanDerWaalsContact O-N 3.09Å; R278-D292 IonicContact CZ-OD1 3.27Å; R278-D292 IonicContact NH1-OD1 3.1Å; R278-D292 PolarHBondContact NH1-OD1 2.78Å; R278-D292 IonicContact NH2-OD1 3.99Å; R278-D292 PolarHBondContact NH2-OD1 3.28Å; R278-D292 IonicContact NH2-OD2 3.67Å
279F58.2Low58.7Low51 Ų5198.8 Ų98.822%0.22449%0.493CS..SBendtrans-132.996.1172.7-61-67.8000109.9V276 H283 P285 N291V276-F279 CarbonylContact O-C 3.1Å; F279-H283 VanDerWaalsContact CA-O 3.28Å; F279-H283 WeakPolarHBondContact CA-O 3.4Å; F279-P285 VanDerWaalsContact CD1-CA 3.48Å; F279-P285 HydrophobicContact CD1-CB 3.62Å; F279-P285 HydrophobicContact CD1-CG 4.32Å; F279-P285 HydrophobicContact CD2-CB 4.24Å; F279-P285 HydrophobicContact CE1-CB 3.66Å; F279-P285 HydrophobicContact CE2-CB 4.27Å; F279-P285 HydrophobicContact CG-CB 3.92Å; F279-P285 HydrophobicContact CG-CG 4.26Å; F279-P285 HydrophobicContact CZ-CB 3.98Å; F279-N291 HydrophobicContact CD2-CB 4.31Å; F279-N291 WeakPolarHBondContact CD2-OD1 3.45Å; F279-N291 HydrophobicContact CE2-CB 4.05Å; F279-N291 WeakPolarHBondContact CE2-OD1 3.29Å
280D53.8Low57.6Low75 Ų7598.4 Ų98.440%0.40150%0.498SS..  trans-91.1171.4178-83.4-53.9000111.5E282 H283D280-E282 PolarHBondContact O-N 2.85Å; D280-E282 VanDerWaalsContact O-N 3.11Å; D280-H283 PolarHBondContact N-O 2.86Å; D280-H283 CarbonylContact O-C 3.55Å; D280-H283 PolarHBondContact O-N 3.46Å
281N49.5Very low56.9Low127 Ų12797.9 Ų97.968%0.67950%0.499SS*.THydrogen-bonded Turntrans-59.1-22.4172.6-156.342.2000112.2K546N281-K546 PolarHBondContact OD1-NZ 2.96Å
282E48.6Very low56.5Low160 Ų16097.7 Ų97.775%0.74850%0.5SS*.THydrogen-bonded Turntrans-86.8-18.6174-62.9-71.3128.800113.2D280D280-E282 PolarHBondContact O-N 2.85Å; D280-E282 VanDerWaalsContact O-N 3.11Å
283H59.2Low56.4Low137 Ų13795.3 Ų95.363%0.63449%0.488SS*.SBendtrans-139.872.3-178.5-65.291000110.7F279 D280F279-H283 VanDerWaalsContact CA-O 3.28Å; F279-H283 WeakPolarHBondContact CA-O 3.4Å; D280-H283 PolarHBondContact N-O 2.86Å; D280-H283 CarbonylContact O-C 3.55Å; D280-H283 PolarHBondContact O-N 3.46Å
284P63.4Low56.3Low94 Ų9498.7 Ų98.761%0.6150%0.498SS*.  trans-67.4152.4179.228.5-34.4000111.1L286P284-L286 PolarHBondContact O-N 3.36Å
285P60.3Low56.6Low45 Ų45106.3 Ų106.329%0.29252%0.521SS..  trans-64.6133175.427.6-29.7000109.5F279 H287 N291F279-P285 VanDerWaalsContact CD1-CA 3.48Å; F279-P285 HydrophobicContact CD1-CB 3.62Å; F279-P285 HydrophobicContact CD1-CG 4.32Å; F279-P285 HydrophobicContact CD2-CB 4.24Å; F279-P285 HydrophobicContact CE1-CB 3.66Å; F279-P285 HydrophobicContact CE2-CB 4.27Å; F279-P285 HydrophobicContact CG-CB 3.92Å; F279-P285 HydrophobicContact CG-CG 4.26Å; F279-P285 HydrophobicContact CZ-CB 3.98Å; P285-H287 PolarHBondContact O-N 3.33Å; P285-H287 VanDerWaalsContact O-N 3.07Å; P285-N291 HydrophobicContact CB-CB 4.47Å
286L67.8Low56.8Low179 Ų179110.4 Ų110.494%0.93753%0.532SS*.SBendtrans-54.2-30.1-179.7-78.8154000113.2P284P284-L286 PolarHBondContact O-N 3.36Å
287H63.2Low57Low101 Ų101108.9 Ų108.947%0.46852%0.52SS..SBendtrans-150.6144.8176-169.5-90.3000110P285 I289 V290P285-H287 PolarHBondContact O-N 3.33Å; P285-H287 VanDerWaalsContact O-N 3.07Å; H287-I289 PolarHBondContact ND1-N 3.04Å; H287-I289 PolarHBondContact O-N 2.85Å; H287-I289 VanDerWaalsContact O-N 3.07Å; H287-V290 HydrophobicContact CB-CG2 3.94Å; H287-V290 WeakPolarHBondContact O-CB 3.47Å; H287-V290 PolarHBondContact O-N 2.7Å
288P56.6Low57.4Low98 Ų98107 Ų10764%0.63652%0.52SS*.G310 helixtrans-55.7-30.2-176.5-27.834.7000115
289I61.9Low57.8Low143 Ų143110.5 Ų110.573%0.73354%0.539SS*.G310 helixtrans-75.9-21.4179.2-64.1175.4000112.6H287 N291H287-I289 PolarHBondContact ND1-N 3.04Å; H287-I289 PolarHBondContact O-N 2.85Å; H287-I289 VanDerWaalsContact O-N 3.07Å; I289-N291 PolarHBondContact O-N 2.96Å
290V57.8Low58Low80 Ų80110.6 Ų110.649%0.48555%0.545SS..G310 helixtrans-79.4-8.1-176.1178.50000111.9H287 D292H287-V290 HydrophobicContact CB-CG2 3.94Å; H287-V290 WeakPolarHBondContact O-CB 3.47Å; H287-V290 PolarHBondContact O-N 2.7Å; V290-D292 VanDerWaalsContact C-N 3.3Å; V290-D292 PolarHBondContact O-N 3.29Å
291N60.2Low58.6Low49 Ų49114.1 Ų114.126%0.26256%0.563SS.*  trans-8077.4175-167-1.1000111.4F279 P285 I289 S293F279-N291 HydrophobicContact CD2-CB 4.31Å; F279-N291 WeakPolarHBondContact CD2-OD1 3.45Å; F279-N291 HydrophobicContact CE2-CB 4.05Å; F279-N291 WeakPolarHBondContact CE2-OD1 3.29Å; P285-N291 HydrophobicContact CB-CB 4.47Å; I289-N291 PolarHBondContact O-N 2.96Å; N291-S293 PolarHBondContact O-N 2.79Å; N291-S293 VanDerWaalsContact OD1-CB 3.23Å; N291-S293 WeakPolarHBondContact OD1-CB 2.99Å; N291-S293 PolarHBondContact OD1-N 3.47Å; N291-S293 PolarHBondContact OD1-OG 3.16Å
292D59.2Low60Low60 Ų60114.3 Ų114.332%0.32156%0.558SS.*G310 helixtrans-84.611.4174.770.9-19.2000113.2R278 V290 W294 W295R278-D292 IonicContact CZ-OD1 3.27Å; R278-D292 IonicContact NH1-OD1 3.1Å; R278-D292 PolarHBondContact NH1-OD1 2.78Å; R278-D292 IonicContact NH2-OD1 3.99Å; R278-D292 PolarHBondContact NH2-OD1 3.28Å; R278-D292 IonicContact NH2-OD2 3.67Å; V290-D292 VanDerWaalsContact C-N 3.3Å; V290-D292 PolarHBondContact O-N 3.29Å; D292-W294 PolarHBondContact O-N 3.19Å; D292-W295 WeakPolarHBondContact O-CB 3.33Å; D292-W295 PolarHBondContact O-N 2.97Å
293S56.4Low61.6Low4 Ų4110.1 Ų110.13%0.02854%0.543CS..G310 helixtrans-56-24178.9-48.60000112.4N291 W295 I297N291-S293 PolarHBondContact O-N 2.79Å; N291-S293 VanDerWaalsContact OD1-CB 3.23Å; N291-S293 WeakPolarHBondContact OD1-CB 2.99Å; N291-S293 PolarHBondContact OD1-N 3.47Å; N291-S293 PolarHBondContact OD1-OG 3.16Å; S293-W295 VanDerWaalsContact C-N 3.28Å; S293-W295 PolarHBondContact O-N 3.41Å; S293-I297 WeakPolarHBondContact O-CD1 3.21Å; S293-I297 WeakPolarHBondContact O-CG1 3.36Å
294W53.7Low62.9Low111 Ų111108 Ų10842%0.4253%0.53SS..G310 helixtrans-66.8-22.7175.5-162.8-77.7000114L273 D292 W529L273-W294 HydrophobicContact CB-CD2 4.46Å; L273-W294 HydrophobicContact CB-CE3 3.99Å; L273-W294 HydrophobicContact CB-CH2 4.35Å; L273-W294 HydrophobicContact CB-CZ3 3.93Å; L273-W294 HydrophobicContact CD1-CZ2 4.45Å; D292-W294 PolarHBondContact O-N 3.19Å; W294-W529 HydrophobicContact CZ2-CZ3 4.08Å
295W56.1Low64Low213 Ų213104.7 Ų104.781%0.80751%0.507SS*.G310 helixtrans-83.2-19.2-171.6-132.744.9000113.9D292 S293D292-W295 WeakPolarHBondContact O-CB 3.33Å; D292-W295 PolarHBondContact O-N 2.97Å; S293-W295 VanDerWaalsContact C-N 3.28Å; S293-W295 PolarHBondContact O-N 3.41Å
296Y53.6Low65.4Low160 Ų160104 Ų10463%0.62750%0.501SS*.SBendtrans-115.69.8-169.9-59.2-74.8000114.5
297I55.6Low66.5Low70 Ų7095.5 Ų95.536%0.35946%0.457SS..PPolyproline II helixtrans-99.9121.2-177.8-62.9165.6000109.8L273 S293 K299L273-I297 HydrophobicContact CD2-CB 4.48Å; L273-I297 HydrophobicContact CD2-CD1 4.48Å; L273-I297 HydrophobicContact CD2-CG2 3.65Å; L273-I297 WeakPolarHBondContact O-CD1 3.28Å; S293-I297 WeakPolarHBondContact O-CD1 3.21Å; S293-I297 WeakPolarHBondContact O-CG1 3.36Å; I297-K299 PolarHBondContact O-N 3.15Å
298E57.5Low67.8Low179 Ų17991 Ų9184%0.83644%0.436SS*.PPolyproline II helixtrans-54.5137.5165.5-69-175.5168.600109.1
299K60.3Low69.2Low184 Ų18492.2 Ų92.280%0.843%0.429SS*.PPolyproline II helixtrans-49.1119.8179.8-74.7-176178.9-179.80109I297I297-K299 PolarHBondContact O-N 3.15Å
300P64.3Low70.4Confident54 Ų5485.4 Ų85.435%0.35139%0.394SS..PPolyproline II helixtrans-60.9148.4-176.429.6-38.9000108.9H271 L273 K302H271-P300 HydrophobicContact CB-CG 4.49Å; L273-P300 HydrophobicContact CD1-CG 4.3Å; L273-P300 HydrophobicContact CD2-CB 4.32Å; L273-P300 HydrophobicContact CD2-CG 3.75Å; L273-P300 HydrophobicContact CG-CG 4.36Å; P300-K302 PolarHBondContact O-N 2.65Å
301N66.5Low71.9Confident148 Ų14881.6 Ų81.679%0.79137%0.371SS*.PPolyproline II helixtrans-57.6133170.4-70.5-38.1000109.2V303N301-V303 PolarHBondContact O-N 3.31Å
302K78.3Confident73Confident132 Ų13286.1 Ų86.157%0.57438%0.384SS*.  trans-63.2110.9176.7-66.5-180166.3-136.20109.5E268 P300 Y304E268-K302 WeakPolarHBondContact OE1-CD 3.37Å; E268-K302 IonicContact OE1-NZ 4Å; E268-K302 PolarHBondContact OE1-NZ 2.91Å; E268-K302 WeakPolarHBondContact OE2-CE 3.19Å; E268-K302 IonicContact OE2-NZ 3.09Å; E268-K302 PolarHBondContact OE2-NZ 3Å; P300-K302 PolarHBondContact O-N 2.65Å; K302-Y304 HydrophobicContact CB-CE2 4.2Å
303V82.1Confident74.1Confident72 Ų7286.7 Ų86.744%0.43639%0.387SS..  trans-96.2127.1171.9-173.40000108.2K269 N301K269-V303 PolarHBondContact N-O 3.32Å; N301-V303 PolarHBondContact O-N 3.31Å
304Y86.9Confident75.4Confident91 Ų9186.9 Ų86.936%0.35739%0.39SS..EExtended strand (participates in β ladder)trans-96.8139.8176.2-63.6-87.4000110.7P262 I267 E268 K302P262-Y304 HydrophobicContact CG-CD1 3.38Å; P262-Y304 HydrophobicContact CG-CD2 4.05Å; P262-Y304 HydrophobicContact CG-CE1 3.39Å; P262-Y304 HydrophobicContact CG-CE2 4.08Å; P262-Y304 HydrophobicContact CG-CG 3.7Å; I267-Y304 CarbonylContact O-C 3.56Å; I267-Y304 VanDerWaalsContact O-CA 3.28Å; I267-Y304 WeakPolarHBondContact O-CA 3.18Å; E268-Y304 HydrophobicContact CG-CD1 3.89Å; E268-Y304 HydrophobicContact CG-CE1 3.41Å; E268-Y304 VanDerWaalsContact CG-CE1 3.41Å; E268-Y304 PolarHBondContact OE1-OH 3.04Å; K302-Y304 HydrophobicContact CB-CE2 4.2Å
305I86.6Confident76.8Confident26 Ų2683 Ų8313%0.13338%0.378CS..EExtended strand (participates in β ladder)trans-133.9152.2-179.6-169.1165.5000109.2M266 I267 K269 I307 Y309 C310M266-I305 WeakPolarHBondContact CA-O 3.46Å; I267-I305 HydrophobicContact CG1-CG2 4.06Å; I267-I305 WeakPolarHBondContact CG1-O 3.34Å; I267-I305 PolarHBondContact N-O 3.13Å; I267-I305 PolarHBondContact O-N 3.34Å; K269-I305 HydrophobicContact CB-CB 4.41Å; K269-I305 HydrophobicContact CB-CG2 3.79Å; K269-I305 HydrophobicContact CD-CD1 4.42Å; K269-I305 HydrophobicContact CG-CG2 4.34Å; I305-I307 PolarHBondContact O-N 2.85Å; I305-Y309 HydrophobicContact CD1-CD1 3.51Å; I305-Y309 HydrophobicContact CD1-CE1 3.96Å; I305-Y309 HydrophobicContact CG1-CD1 3.85Å; I305-C310 WeakPolarHBondContact CG2-SG 3.26Å
306N89.8Confident78.2Confident31 Ų3174.9 Ų74.917%0.16635%0.35CS..EExtended strand (participates in β ladder)trans-69.2130.4177.6-171.8-43.2000110.1F265 N308 Y309 C310 D333F265-N306 WeakPolarHBondContact O-CA 3.45Å; N306-N308 PolarHBondContact O-N 3.2Å; N306-N308 WeakPolarHBondContact OD1-CB 3.35Å; N306-N308 PolarHBondContact OD1-N 2.82Å; N306-Y309 WeakPolarHBondContact O-CA 3.39Å; N306-Y309 WeakPolarHBondContact O-CB 3.33Å; N306-Y309 PolarHBondContact O-N 2.82Å; N306-C310 PolarHBondContact O-N 2.96Å; N306-D333 PolarHBondContact ND2-OD1 2.91Å; N306-D333 PolarHBondContact ND2-OD2 3.31Å
307I89.9Confident79.6Confident0 Ų068.8 Ų68.80%033%0.327CS..Hα-helixtrans-54.6-39.7-180-167.9166.6000112.4F265 I267 I305 Y309 C310 V311 L319 F323 A331 P339F265-I307 HydrophobicContact CB-CG2 4.19Å; F265-I307 PolarHBondContact O-N 3.07Å; I267-I307 HydrophobicContact CD1-CB 4.26Å; I267-I307 HydrophobicContact CD1-CG1 4.08Å; I267-I307 HydrophobicContact CG1-CB 4.31Å; I267-I307 HydrophobicContact CG2-CB 4.13Å; I267-I307 HydrophobicContact CG2-CD1 4.18Å; I267-I307 HydrophobicContact CG2-CG1 4.32Å; I305-I307 PolarHBondContact O-N 2.85Å; I307-Y309 VanDerWaalsContact C-N 3.31Å; I307-Y309 PolarHBondContact O-N 2.94Å; I307-C310 WeakPolarHBondContact O-CB 3.13Å; I307-C310 PolarHBondContact O-N 3.23Å; I307-V311 WeakPolarHBondContact O-CG2 3.33Å; I307-V311 PolarHBondContact O-N 2.91Å; I307-L319 HydrophobicContact CD1-CD2 4.17Å; I307-L319 HydrophobicContact CG1-CD2 3.62Å; I307-F323 HydrophobicContact CD1-CE1 4.06Å; I307-F323 HydrophobicContact CD1-CZ 4.43Å; I307-A331 HydrophobicContact CD1-CB 4.46Å; I307-P339 HydrophobicContact CD1-CG 3.63Å; I307-P339 HydrophobicContact CG1-CG 3.82Å; I307-P339 HydrophobicContact CG2-CG 4.07Å
308N90Very high81Confident7 Ų765.4 Ų65.44%0.03731%0.31CS..Hα-helixtrans-68-33.6178.2-68.8-19.9000111.5N306 V311 R312 D333 K337 T338 P339 E342N306-N308 PolarHBondContact O-N 3.2Å; N306-N308 WeakPolarHBondContact OD1-CB 3.35Å; N306-N308 PolarHBondContact OD1-N 2.82Å; N308-V311 PolarHBondContact O-N 2.97Å; N308-R312 PolarHBondContact O-N 3.1Å; N308-D333 WeakPolarHBondContact ND2-CB 3.5Å; N308-K337 PolarHBondContact ND2-O 2.87Å; N308-T338 PolarHBondContact OD1-O 2.9Å; N308-P339 WeakPolarHBondContact OD1-CA 3.37Å; N308-E342 HydrophobicContact CB-CB 4.24Å; N308-E342 HydrophobicContact CB-CG 4.18Å; N308-E342 WeakPolarHBondContact O-CG 3.41Å
309Y87.2Confident82.5Confident123 Ų12356.9 Ų56.948%0.48227%0.27SS..Hα-helixtrans-70.9-34.5175-170.5-97.8000111.8I305 N306 I307 R312 N313I305-Y309 HydrophobicContact CD1-CD1 3.51Å; I305-Y309 HydrophobicContact CD1-CE1 3.96Å; I305-Y309 HydrophobicContact CG1-CD1 3.85Å; N306-Y309 WeakPolarHBondContact O-CA 3.39Å; N306-Y309 WeakPolarHBondContact O-CB 3.33Å; N306-Y309 PolarHBondContact O-N 2.82Å; I307-Y309 VanDerWaalsContact C-N 3.31Å; I307-Y309 PolarHBondContact O-N 2.94Å; Y309-R312 PolarHBondContact O-N 3.27Å; Y309-N313 VanDerWaalsContact CD1-ND2 3.29Å; Y309-N313 WeakPolarHBondContact CD1-ND2 3.45Å; Y309-N313 WeakPolarHBondContact CE1-ND2 3.22Å; Y309-N313 VanDerWaalsContact O-CG 3.25Å; Y309-N313 PolarHBondContact O-N 3.3Å; Y309-N313 PolarHBondContact O-ND2 2.86Å
310C87.3Confident83.8Confident0 Ų050.8 Ų50.80%025%0.246CC..Hα-helixtrans-61.1-44.8169.5-77.10000112.1I267 I305 N306 I307 N313 G314 D315 L319I267-C310 HydrophobicContact CD1-CB 4.08Å; I305-C310 WeakPolarHBondContact CG2-SG 3.26Å; N306-C310 PolarHBondContact O-N 2.96Å; I307-C310 WeakPolarHBondContact O-CB 3.13Å; I307-C310 PolarHBondContact O-N 3.23Å; C310-N313 PolarHBondContact O-N 3.02Å; C310-G314 PolarHBondContact O-N 2.63Å; C310-D315 HydrophobicContact CB-CB 4.44Å; C310-D315 PolarHBondContact O-N 3.49Å; C310-L319 HydrophobicContact CB-CD2 4.32Å; C310-L319 HydrophobicContact CB-CG 4.42Å
311V88.1Confident84.8Confident0 Ų050.9 Ų50.90%024%0.243CC..Hα-helixtrans-60-47.9175.4174.50000110.9I307 N308 N313 G314 L319 P339 E342 A343 L351I307-V311 WeakPolarHBondContact O-CG2 3.33Å; I307-V311 PolarHBondContact O-N 2.91Å; N308-V311 PolarHBondContact O-N 2.97Å; V311-N313 PolarHBondContact O-N 3.35Å; V311-G314 WeakPolarHBondContact O-CA 3.49Å; V311-G314 PolarHBondContact O-N 3.19Å; V311-L319 HydrophobicContact CG2-CD1 3.91Å; V311-L319 HydrophobicContact CG2-CD2 4.15Å; V311-P339 HydrophobicContact CG2-CB 3.84Å; V311-E342 HydrophobicContact CG1-CB 4.27Å; V311-A343 HydrophobicContact CG1-CB 3.75Å; V311-L351 HydrophobicContact CG1-CD1 4.16Å; V311-L351 VanDerWaalsContact O-CD1 3.23Å; V311-L351 WeakPolarHBondContact O-CD1 3.4Å
312R84.4Confident85.8Confident143 Ų14344 Ų4454%0.5421%0.207SC..Hα-helixtrans-57.4-37.6177.7-176.2-179.6-70.9-173-3.9112.7N308 Y309 G314 E342N308-R312 PolarHBondContact O-N 3.1Å; Y309-R312 PolarHBondContact O-N 3.27Å; R312-G314 VanDerWaalsContact C-N 3.3Å; R312-E342 HydrophobicContact CB-CG 4.35Å; R312-E342 IonicContact CZ-OE1 3.22Å; R312-E342 IonicContact NE-OE1 3.88Å; R312-E342 PolarHBondContact NE-OE1 3.09Å; R312-E342 IonicContact NH2-OE1 3.34Å; R312-E342 PolarHBondContact NH2-OE1 3.48Å; R312-E342 IonicContact NH2-OE2 3.35Å
313N82.8Confident86.3Confident72 Ų7238.9 Ų38.939%0.38519%0.185SC..Hα-helixtrans-79.7-13.7177.1-64.3-20.4000113.1Y309 C310 V311 R548Y309-N313 VanDerWaalsContact CD1-ND2 3.29Å; Y309-N313 WeakPolarHBondContact CD1-ND2 3.45Å; Y309-N313 WeakPolarHBondContact CE1-ND2 3.22Å; Y309-N313 VanDerWaalsContact O-CG 3.25Å; Y309-N313 PolarHBondContact O-N 3.3Å; Y309-N313 PolarHBondContact O-ND2 2.86Å; C310-N313 PolarHBondContact O-N 3.02Å; V311-N313 PolarHBondContact O-N 3.35Å; N313-R548 PolarHBondContact O-NH1 3.18Å; N313-R548 VanDerWaalsContact O-NH1 3.1Å
314G82.6Confident86.5Confident8 Ų840.7 Ų40.78%0.08219%0.192CC..THydrogen-bonded Turntrans67.235.6-173.200000114C310 V311 R312 L316C310-G314 PolarHBondContact O-N 2.63Å; V311-G314 WeakPolarHBondContact O-CA 3.49Å; V311-G314 PolarHBondContact O-N 3.19Å; R312-G314 VanDerWaalsContact C-N 3.3Å; G314-L316 PolarHBondContact O-N 3.23Å
315D83.2Confident86.4Confident31 Ų3141 Ų4117%0.16620%0.2CC..  trans-83.383.9175.9-174.31.1000110.8C310 E317 S318 L319C310-D315 HydrophobicContact CB-CB 4.44Å; C310-D315 PolarHBondContact O-N 3.49Å; D315-E317 VanDerWaalsContact C-N 3.32Å; D315-E317 PolarHBondContact OD1-N 3.21Å; D315-S318 PolarHBondContact OD1-N 3.04Å; D315-S318 PolarHBondContact OD1-OG 3.35Å; D315-S318 WeakPolarHBondContact OD2-CB 3.42Å; D315-S318 PolarHBondContact OD2-OG 3.12Å; D315-L319 WeakPolarHBondContact O-CG 3.37Å; D315-L319 PolarHBondContact O-N 2.97Å
316L84.6Confident86.2Confident42 Ų4242.6 Ų42.622%0.2222%0.222CC..Hα-helixtrans-65.7-33.9178.2-71.4170.5000112.5G314 S318 L319 D320 L351 Y354G314-L316 PolarHBondContact O-N 3.23Å; L316-S318 PolarHBondContact O-N 3.29Å; L316-L319 PolarHBondContact O-N 3.05Å; L316-L319 VanDerWaalsContact O-N 3.12Å; L316-D320 PolarHBondContact O-N 3.23Å; L316-L351 HydrophobicContact CD2-CD2 3.35Å; L316-L351 HydrophobicContact CG-CD2 4.15Å; L316-Y354 HydrophobicContact CD2-CD1 3.76Å; L316-Y354 HydrophobicContact CD2-CE1 3.98Å; L316-Y354 HydrophobicContact CD2-CG 4.06Å
317E83.3Confident86Confident31 Ų3141.5 Ų41.515%0.14522%0.217CC..Hα-helixtrans-64.6-43.6-176.1-64.4166.8-173.500110.8Y270 D315 L319 L321 N541 R545Y270-E317 HydrophobicContact CD1-CB 3.55Å; Y270-E317 HydrophobicContact CD1-CG 4.31Å; Y270-E317 VanDerWaalsContact CD1-OE2 3.26Å; Y270-E317 WeakPolarHBondContact CD1-OE2 3.46Å; Y270-E317 HydrophobicContact CE1-CB 4.09Å; Y270-E317 HydrophobicContact CE1-CG 4.44Å; Y270-E317 VanDerWaalsContact CE1-OE2 3.3Å; Y270-E317 WeakPolarHBondContact CE1-OE2 3.31Å; Y270-E317 HydrophobicContact CG-CB 3.91Å; D315-E317 VanDerWaalsContact C-N 3.32Å; D315-E317 PolarHBondContact OD1-N 3.21Å; E317-L319 VanDerWaalsContact C-N 3.33Å; E317-L319 PolarHBondContact O-N 3.43Å; E317-L321 PolarHBondContact O-N 3.02Å; E317-L321 VanDerWaalsContact O-N 3.13Å; E317-N541 PolarHBondContact OE1-ND2 3.06Å; E317-N541 VanDerWaalsContact OE1-ND2 3.14Å; E317-R545 IonicContact OE1-NH2 2.63Å; E317-R545 PolarHBondContact OE1-NH2 3.15Å; E317-R545 IonicContact OE2-NH2 3.05Å; E317-R545 PolarHBondContact OE2-NH2 3.33Å
318S86.6Confident86Confident0 Ų044.4 Ų44.40%024%0.235CC..Hα-helixtrans-65-35.1173-65.50000113Y270 D315 L316 A322Y270-S318 WeakPolarHBondContact CB-OG 3.24Å; Y270-S318 PolarHBondContact N-OG 3.19Å; D315-S318 PolarHBondContact OD1-N 3.04Å; D315-S318 PolarHBondContact OD1-OG 3.35Å; D315-S318 WeakPolarHBondContact OD2-CB 3.42Å; D315-S318 PolarHBondContact OD2-OG 3.12Å; L316-S318 PolarHBondContact O-N 3.29Å; S318-A322 WeakPolarHBondContact O-CB 3.31Å; S318-A322 PolarHBondContact O-N 3.39Å; S318-A322 VanDerWaalsContact O-N 3.08Å
319L88.6Confident86Confident0 Ų045 Ų450%024%0.24CC..Hα-helixtrans-71.7-44.3179-69.5170.4000111.7I267 I307 C310 V311 D315 L316 E317 L321 A322 F323 L351 Y354I267-L319 HydrophobicContact CD1-CD2 4.08Å; I307-L319 HydrophobicContact CD1-CD2 4.17Å; I307-L319 HydrophobicContact CG1-CD2 3.62Å; C310-L319 HydrophobicContact CB-CD2 4.32Å; C310-L319 HydrophobicContact CB-CG 4.42Å; V311-L319 HydrophobicContact CG2-CD1 3.91Å; V311-L319 HydrophobicContact CG2-CD2 4.15Å; D315-L319 WeakPolarHBondContact O-CG 3.37Å; D315-L319 PolarHBondContact O-N 2.97Å; L316-L319 PolarHBondContact O-N 3.05Å; L316-L319 VanDerWaalsContact O-N 3.12Å; E317-L319 VanDerWaalsContact C-N 3.33Å; E317-L319 PolarHBondContact O-N 3.43Å; L319-L321 VanDerWaalsContact C-N 3.33Å; L319-L321 PolarHBondContact O-N 2.91Å; L319-A322 PolarHBondContact O-N 3.08Å; L319-F323 HydrophobicContact CB-CD2 4.5Å; L319-F323 HydrophobicContact CB-CE2 4.04Å; L319-F323 HydrophobicContact CB-CZ 4.5Å; L319-F323 HydrophobicContact CD2-CZ 4.22Å; L319-F323 VanDerWaalsContact O-CD2 3.22Å; L319-F323 WeakPolarHBondContact O-CD2 3.42Å; L319-F323 VanDerWaalsContact O-CG 3.27Å; L319-F323 WeakPolarHBondContact O-CG 3.47Å; L319-F323 PolarHBondContact O-N 2.98Å; L319-L351 HydrophobicContact CD1-CD2 4.2Å; L319-Y354 HydrophobicContact CB-CE1 4.41Å
320D87.4Confident86.1Confident56 Ų5641.2 Ų41.230%0.29923%0.227SC..Hα-helixtrans-59.1-45.5175.1-85.7-43.8000111.2L316 A322 F323 N324 Y354 K358L316-D320 PolarHBondContact O-N 3.23Å; D320-A322 VanDerWaalsContact C-N 3.34Å; D320-A322 PolarHBondContact O-N 3.03Å; D320-F323 PolarHBondContact O-N 2.89Å; D320-N324 WeakPolarHBondContact O-CB 3.25Å; D320-N324 PolarHBondContact O-N 3.26Å; D320-N324 PolarHBondContact O-ND2 3.17Å; D320-N324 VanDerWaalsContact O-ND2 3.14Å; D320-Y354 PolarHBondContact OD1-OH 3.42Å; D320-K358 IonicContact OD1-NZ 3.79Å
321L86Confident86.1Confident56 Ų5641.5 Ų41.529%0.29323%0.23SC..Hα-helixtrans-57.6-48.5174.7-17964.8000111E268 Y270 E317 L319 F323 N324 D325E268-L321 HydrophobicContact CB-CD2 4.47Å; Y270-L321 HydrophobicContact CD2-CD2 4.4Å; E317-L321 PolarHBondContact O-N 3.02Å; E317-L321 VanDerWaalsContact O-N 3.13Å; L319-L321 VanDerWaalsContact C-N 3.33Å; L319-L321 PolarHBondContact O-N 2.91Å; L321-F323 PolarHBondContact O-N 3.3Å; L321-N324 PolarHBondContact O-N 3.24Å; L321-D325 WeakPolarHBondContact O-CB 3.34Å; L321-D325 PolarHBondContact O-N 2.81Å
322A86.9Confident86.2Confident4 Ų444.6 Ų44.63%0.03325%0.245CC..Hα-helixtrans-61.4-44.4-179.500000112.7I267 S318 L319 D320 D325 G326 V327I267-A322 HydrophobicContact CB-CB 3.87Å; I267-A322 HydrophobicContact CD1-CB 4.12Å; I267-A322 HydrophobicContact CG2-CB 3.65Å; S318-A322 WeakPolarHBondContact O-CB 3.31Å; S318-A322 PolarHBondContact O-N 3.39Å; S318-A322 VanDerWaalsContact O-N 3.08Å; L319-A322 PolarHBondContact O-N 3.08Å; D320-A322 VanDerWaalsContact C-N 3.34Å; D320-A322 PolarHBondContact O-N 3.03Å; A322-D325 PolarHBondContact O-N 2.91Å; A322-G326 PolarHBondContact O-N 3.37Å; A322-V327 HydrophobicContact CB-CB 4.24Å; A322-V327 HydrophobicContact CB-CG2 4.07Å; A322-V327 WeakPolarHBondContact O-CB 3.31Å; A322-V327 WeakPolarHBondContact O-CG2 3.17Å; A322-V327 PolarHBondContact O-N 2.64Å
323F88.6Confident86.2Confident24 Ų2438.9 Ų38.911%0.10523%0.225CC..Hα-helixtrans-70.4-35.7-179.5-60.5-33.1000112.3I307 L319 D320 L321 D325 G326 V329 Y354 L355 K358I307-F323 HydrophobicContact CD1-CE1 4.06Å; I307-F323 HydrophobicContact CD1-CZ 4.43Å; L319-F323 HydrophobicContact CB-CD2 4.5Å; L319-F323 HydrophobicContact CB-CE2 4.04Å; L319-F323 HydrophobicContact CB-CZ 4.5Å; L319-F323 HydrophobicContact CD2-CZ 4.22Å; L319-F323 VanDerWaalsContact O-CD2 3.22Å; L319-F323 WeakPolarHBondContact O-CD2 3.42Å; L319-F323 VanDerWaalsContact O-CG 3.27Å; L319-F323 WeakPolarHBondContact O-CG 3.47Å; L319-F323 PolarHBondContact O-N 2.98Å; D320-F323 PolarHBondContact O-N 2.89Å; L321-F323 PolarHBondContact O-N 3.3Å; F323-D325 VanDerWaalsContact C-N 3.3Å; F323-D325 PolarHBondContact O-N 3.2Å; F323-G326 PolarHBondContact O-N 3.22Å; F323-G326 VanDerWaalsContact O-N 3.11Å; F323-V329 HydrophobicContact CD1-CG2 3.95Å; F323-V329 HydrophobicContact CE1-CB 4.2Å; F323-V329 HydrophobicContact CE1-CG1 4.29Å; F323-V329 HydrophobicContact CE1-CG2 3.93Å; F323-V329 HydrophobicContact CG-CG2 4.37Å; F323-V329 HydrophobicContact CZ-CB 4.49Å; F323-V329 HydrophobicContact CZ-CG1 4.09Å; F323-V329 HydrophobicContact CZ-CG2 4.3Å; F323-Y354 HydrophobicContact CD2-CE1 4.32Å; F323-Y354 AromaticContact CE2-CE1 3.89Å; F323-Y354 HydrophobicContact CE2-CE1 3.89Å; F323-L355 HydrophobicContact CE2-CD2 3.92Å; F323-L355 HydrophobicContact CZ-CD2 3.77Å; F323-K358 HydrophobicContact CD2-CG 4.22Å; F323-K358 HydrophobicContact CE2-CG 4.48Å
324N86.9Confident86.2Confident110 Ų11038.6 Ų38.659%0.58822%0.221SC*.Hα-helixtrans-65.3-34.1172.7-71.4-25.6000112.4D320 L321 G326D320-N324 WeakPolarHBondContact O-CB 3.25Å; D320-N324 PolarHBondContact O-N 3.26Å; D320-N324 PolarHBondContact O-ND2 3.17Å; D320-N324 VanDerWaalsContact O-ND2 3.14Å; L321-N324 PolarHBondContact O-N 3.24Å; N324-G326 PolarHBondContact O-N 3.34Å
325D83.2Confident86.3Confident98 Ų9842.1 Ų42.152%0.52423%0.234SC..THydrogen-bonded Turntrans-73.52174-74.8-13.1000113.4L321 A322 F323L321-D325 WeakPolarHBondContact O-CB 3.34Å; L321-D325 PolarHBondContact O-N 2.81Å; A322-D325 PolarHBondContact O-N 2.91Å; F323-D325 VanDerWaalsContact C-N 3.3Å; F323-D325 PolarHBondContact O-N 3.2Å
326G83Confident86.5Confident58 Ų5844.6 Ų44.660%0.59824%0.242SC*.THydrogen-bonded Turntrans82.921177.300000114.3A322 F323 N324A322-G326 PolarHBondContact O-N 3.37Å; F323-G326 PolarHBondContact O-N 3.22Å; F323-G326 VanDerWaalsContact O-N 3.11Å; N324-G326 PolarHBondContact O-N 3.34Å
327V86.1Confident86.7Confident8 Ų844.8 Ų44.85%0.04824%0.241CC..  trans-67.4130.4169.9-179.30000109.5I267 A322 V329 A331I267-V327 HydrophobicContact CG2-CG1 4.2Å; I267-V327 HydrophobicContact CG2-CG2 4.43Å; A322-V327 HydrophobicContact CB-CB 4.24Å; A322-V327 HydrophobicContact CB-CG2 4.07Å; A322-V327 WeakPolarHBondContact O-CB 3.31Å; A322-V327 WeakPolarHBondContact O-CG2 3.17Å; A322-V327 PolarHBondContact O-N 2.64Å; V327-V329 PolarHBondContact O-N 2.98Å; V327-A331 HydrophobicContact CG1-CB 4.49Å
328P88.5Confident87.2Confident61 Ų6143.3 Ų43.340%0.39623%0.234SC..  trans-63.913417526.4-33.6000110.6H264 D330 A331H264-P328 HydrophobicContact CB-CG 4.25Å; P328-D330 PolarHBondContact O-N 2.75Å; P328-A331 HydrophobicContact CG-CB 4.44Å; P328-A331 WeakPolarHBondContact O-CB 3.5Å; P328-A331 PolarHBondContact O-N 2.87Å
329V90Very high87.5Confident21 Ų2143.3 Ų43.313%0.12723%0.234CC..THydrogen-bonded Turntrans-61-34.4179.7-176.50000111.4F323 V327 A331 P339 L355 K358 A360F323-V329 HydrophobicContact CD1-CG2 3.95Å; F323-V329 HydrophobicContact CE1-CB 4.2Å; F323-V329 HydrophobicContact CE1-CG1 4.29Å; F323-V329 HydrophobicContact CE1-CG2 3.93Å; F323-V329 HydrophobicContact CG-CG2 4.37Å; F323-V329 HydrophobicContact CZ-CB 4.49Å; F323-V329 HydrophobicContact CZ-CG1 4.09Å; F323-V329 HydrophobicContact CZ-CG2 4.3Å; V327-V329 PolarHBondContact O-N 2.98Å; V329-A331 PolarHBondContact O-N 3.09Å; V329-P339 VanDerWaalsContact O-CD 3.3Å; V329-P339 WeakPolarHBondContact O-CD 3.24Å; V329-P339 VanDerWaalsContact O-CG 3.27Å; V329-P339 WeakPolarHBondContact O-CG 3.32Å; V329-L355 HydrophobicContact CG1-CD2 4.13Å; V329-K358 HydrophobicContact CG2-CB 4.05Å; V329-A360 HydrophobicContact CG1-CB 3.76Å
330D90.1Very high87.8Confident42 Ų4243.4 Ų43.423%0.22523%0.234CC..THydrogen-bonded Turntrans-86.427.5179.2-55-54.9000113.8P328 Q332 E361P328-D330 PolarHBondContact O-N 2.75Å; D330-Q332 PolarHBondContact O-N 2.93Å; D330-E361 PolarHBondContact OD1-N 3.41Å; D330-E361 WeakPolarHBondContact OD2-CG 3.5Å
331A88.5Confident88.2Confident7 Ų740.7 Ų40.76%0.05822%0.22CC..  trans-59.2113.2178.100000111.2H264 I307 V327 P328 V329 P339H264-A331 HydrophobicContact CB-CB 4.4Å; I307-A331 HydrophobicContact CD1-CB 4.46Å; V327-A331 HydrophobicContact CG1-CB 4.49Å; P328-A331 HydrophobicContact CG-CB 4.44Å; P328-A331 WeakPolarHBondContact O-CB 3.5Å; P328-A331 PolarHBondContact O-N 2.87Å; V329-A331 PolarHBondContact O-N 3.09Å; A331-P339 WeakPolarHBondContact O-CD 3.31Å
332Q88.3Confident88.5Confident65 Ų6538.3 Ų38.330%0.30421%0.207SC..  trans-84.8133.9179.6-74.4-175.2-42.100112.3D330 Y336 T338 M364 C365D330-Q332 PolarHBondContact O-N 2.93Å; Q332-Y336 PolarHBondContact NE2-O 3.32Å; Q332-Y336 VanDerWaalsContact NE2-O 3.13Å; Q332-T338 HydrophobicContact CG-CG2 3.83Å; Q332-M364 HydrophobicContact CG-CE 4.39Å; Q332-C365 PolarHBondContact NE2-O 2.91Å
333D85.5Confident88.8Confident22 Ų2238.1 Ų38.112%0.11821%0.206CC..  trans-82.5-173.6175.1-169.919.6000112.7F265 N306 N308 F335 Y336 K337F265-D333 WeakPolarHBondContact CD2-OD1 3.47Å; N306-D333 PolarHBondContact ND2-OD1 2.91Å; N306-D333 PolarHBondContact ND2-OD2 3.31Å; N308-D333 WeakPolarHBondContact ND2-CB 3.5Å; D333-F335 PolarHBondContact O-N 3.45Å; D333-Y336 PolarHBondContact O-N 3.33Å; D333-K337 PolarHBondContact N-O 2.87Å
334E83Confident89.1Confident66 Ų6637 Ų3731%0.30820%0.201SC..THydrogen-bonded Turntrans-55.8-23.3-178.4-28.8-152.2115.900114.1K254K254-E334 VanDerWaalsContact NZ-CD 3.29Å; K254-E334 IonicContact NZ-OE1 3.99Å; K254-E334 PolarHBondContact NZ-OE1 3.34Å
335F83.9Confident89.4Confident82 Ų8234.3 Ų34.336%0.3619%0.186SC..THydrogen-bonded Turntrans-10514.8-179.7-56.5-69.5000113.5T248 D333 K337 Q367T248-F335 HydrophobicContact CG2-CD1 4.12Å; T248-F335 HydrophobicContact CG2-CE1 3.8Å; D333-F335 PolarHBondContact O-N 3.45Å; F335-K337 HydrophobicContact CB-CG 4.24Å; F335-K337 PolarHBondContact O-N 3.37Å; F335-Q367 PolarHBondContact O-N 3.03Å
336Y86.6Confident89.6Confident83 Ų8331.9 Ų31.933%0.32518%0.177SC..SBendtrans61.117.3-173.9-62.1-94.9000114.4L249 Q332 D333 Q367L249-Y336 HydrophobicContact CD1-CE1 4.36Å; L249-Y336 WeakPolarHBondContact CD1-OH 3.43Å; Q332-Y336 PolarHBondContact NE2-O 3.32Å; Q332-Y336 VanDerWaalsContact NE2-O 3.13Å; D333-Y336 PolarHBondContact O-N 3.33Å; Y336-Q367 HydrophobicContact CD2-CB 4.28Å
337K90.4Very high89.9Confident47 Ų4730.3 Ų30.320%0.20416%0.16CC..  trans-78.3130.2176.6-72.8-172.2170.4-165.50110.6N308 D333 F335 E342 D366N308-K337 PolarHBondContact ND2-O 2.87Å; D333-K337 PolarHBondContact N-O 2.87Å; F335-K337 HydrophobicContact CB-CG 4.24Å; F335-K337 PolarHBondContact O-N 3.37Å; K337-E342 IonicContact NZ-OE2 3.8Å; K337-D366 HydrophobicContact CG-CB 4.31Å
338T92.9Very high90Very high0 Ų031.5 Ų31.50%017%0.166CC..  trans-90.1161172.562.30000111.2N308 Q332 L340 M341 E342 M364N308-T338 PolarHBondContact OD1-O 2.9Å; Q332-T338 HydrophobicContact CG-CG2 3.83Å; T338-L340 PolarHBondContact O-N 3.47Å; T338-M341 HydrophobicContact CG2-CE 4.39Å; T338-M341 WeakPolarHBondContact O-CB 3.42Å; T338-M341 PolarHBondContact O-N 3.01Å; T338-M341 VanDerWaalsContact O-N 3.13Å; T338-M341 WeakPolarHBondContact OG1-CG 3.46Å; T338-M341 PolarHBondContact OG1-N 3.08Å; T338-E342 PolarHBondContact O-N 2.95Å; T338-M364 HydrophobicContact CG2-CB 3.99Å; T338-M364 HydrophobicContact CG2-CE 4.48Å; T338-M364 HydrophobicContact CG2-CG 4.39Å
339P93.4Very high90.1Very high0 Ų033 Ų330%017%0.165CC..Hα-helixtrans-53.5-40.5174-31.240.3000112.6I307 N308 V311 V329 A331 M341 E342 A343 L355I307-P339 HydrophobicContact CD1-CG 3.63Å; I307-P339 HydrophobicContact CG1-CG 3.82Å; I307-P339 HydrophobicContact CG2-CG 4.07Å; N308-P339 WeakPolarHBondContact OD1-CA 3.37Å; V311-P339 HydrophobicContact CG2-CB 3.84Å; V329-P339 VanDerWaalsContact O-CD 3.3Å; V329-P339 WeakPolarHBondContact O-CD 3.24Å; V329-P339 VanDerWaalsContact O-CG 3.27Å; V329-P339 WeakPolarHBondContact O-CG 3.32Å; A331-P339 WeakPolarHBondContact O-CD 3.31Å; P339-M341 PolarHBondContact O-N 3.49Å; P339-E342 PolarHBondContact O-N 3.13Å; P339-A343 PolarHBondContact O-N 3.38Å; P339-L355 HydrophobicContact CB-CD1 4.03Å; P339-L355 HydrophobicContact CB-CD2 4.11Å
340L95.1Very high90.1Very high1 Ų137.3 Ų37.31%0.00518%0.183CC..Hα-helixtrans-62.5-41.2178.9-176.463.1000112.2T338 E342 A343 C344 V352 L355 L356 A360 P372 L388T338-L340 PolarHBondContact O-N 3.47Å; L340-E342 PolarHBondContact O-N 3.38Å; L340-A343 PolarHBondContact O-N 3.18Å; L340-C344 PolarHBondContact O-N 3.3Å; L340-C344 PolarHBondContact O-SG 3.13Å; L340-V352 HydrophobicContact CD1-CG1 3.95Å; L340-L355 HydrophobicContact CD1-CB 4.24Å; L340-L356 HydrophobicContact CD1-CD2 4.32Å; L340-L356 HydrophobicContact CD1-CG 4.26Å; L340-L356 HydrophobicContact CD2-CD2 4.11Å; L340-A360 HydrophobicContact CB-CB 4.3Å; L340-A360 HydrophobicContact CD2-CB 4.07Å; L340-P372 HydrophobicContact CD2-CB 4.19Å; L340-P372 HydrophobicContact CD2-CG 3.86Å; L340-P372 HydrophobicContact CG-CB 4.14Å; L340-P372 HydrophobicContact CG-CG 4.07Å; L340-L388 HydrophobicContact CD1-CD2 4.38Å; L340-L388 HydrophobicContact CD2-CD2 4.31Å
341M94.8Very high90.2Very high0 Ų035.4 Ų35.40%017%0.173CC..Hα-helixtrans-62.7-43.4176.1-68.5169.1-172.300111.5T338 P339 A343 C344 I345 M364 C365 D366 P372T338-M341 HydrophobicContact CG2-CE 4.39Å; T338-M341 WeakPolarHBondContact O-CB 3.42Å; T338-M341 PolarHBondContact O-N 3.01Å; T338-M341 VanDerWaalsContact O-N 3.13Å; T338-M341 WeakPolarHBondContact OG1-CG 3.46Å; T338-M341 PolarHBondContact OG1-N 3.08Å; P339-M341 PolarHBondContact O-N 3.49Å; M341-A343 VanDerWaalsContact C-N 3.34Å; M341-C344 WeakPolarHBondContact O-CB 3.4Å; M341-C344 PolarHBondContact O-N 3.08Å; M341-I345 VanDerWaalsContact O-CG1 3.27Å; M341-I345 WeakPolarHBondContact O-CG1 3.21Å; M341-I345 PolarHBondContact O-N 3.28Å; M341-M364 HydrophobicContact CE-CB 4.01Å; M341-M364 WeakPolarHBondContact CE-O 3.47Å; M341-C365 VanDerWaalsContact CE-C 3.46Å; M341-D366 HydrophobicContact CE-CB 4.46Å; M341-D366 HydrophobicContact SD-CB 3.91Å; M341-P372 HydrophobicContact CG-CG 3.87Å
342E93.6Very high90.4Very high6 Ų635 Ų353%0.02817%0.17CC..Hα-helixtrans-67.8-36.1179.6-166.864.3-156.500111.7N308 V311 R312 K337 T338 P339 L340 C344 I345 S346N308-E342 HydrophobicContact CB-CB 4.24Å; N308-E342 HydrophobicContact CB-CG 4.18Å; N308-E342 WeakPolarHBondContact O-CG 3.41Å; V311-E342 HydrophobicContact CG1-CB 4.27Å; R312-E342 HydrophobicContact CB-CG 4.35Å; R312-E342 IonicContact CZ-OE1 3.22Å; R312-E342 IonicContact NE-OE1 3.88Å; R312-E342 PolarHBondContact NE-OE1 3.09Å; R312-E342 IonicContact NH2-OE1 3.34Å; R312-E342 PolarHBondContact NH2-OE1 3.48Å; R312-E342 IonicContact NH2-OE2 3.35Å; K337-E342 IonicContact NZ-OE2 3.8Å; T338-E342 PolarHBondContact O-N 2.95Å; P339-E342 PolarHBondContact O-N 3.13Å; L340-E342 PolarHBondContact O-N 3.38Å; E342-C344 VanDerWaalsContact C-N 3.33Å; E342-C344 PolarHBondContact O-N 3.49Å; E342-I345 PolarHBondContact O-N 3.38Å; E342-S346 PolarHBondContact O-N 3.33Å; E342-S346 PolarHBondContact O-OG 2.92Å
343A93.4Very high90.6Very high0 Ų035.4 Ų35.40%017%0.172CC..Hα-helixtrans-59.2-44.5171.100000111.4V311 P339 L340 M341 I345 S346 G347 N348 L351 V352 L355V311-A343 HydrophobicContact CG1-CB 3.75Å; P339-A343 PolarHBondContact O-N 3.38Å; L340-A343 PolarHBondContact O-N 3.18Å; M341-A343 VanDerWaalsContact C-N 3.34Å; A343-I345 PolarHBondContact O-N 3.02Å; A343-S346 PolarHBondContact O-N 3.25Å; A343-S346 PolarHBondContact O-OG 3.45Å; A343-G347 PolarHBondContact O-N 3.25Å; A343-G347 VanDerWaalsContact O-N 3.14Å; A343-N348 PolarHBondContact O-N 3.2Å; A343-L351 HydrophobicContact CB-CB 4.09Å; A343-V352 HydrophobicContact CB-CG2 3.7Å; A343-L355 HydrophobicContact CB-CD1 3.91Å
344C94.1Very high90.9Very high0 Ų035.9 Ų35.90%017%0.173CC..Hα-helixtrans-64.9-36.8176-62.50000113.1L340 M341 E342 G347 H375 A376 Y381 I384L340-C344 PolarHBondContact O-N 3.3Å; L340-C344 PolarHBondContact O-SG 3.13Å; M341-C344 WeakPolarHBondContact O-CB 3.4Å; M341-C344 PolarHBondContact O-N 3.08Å; E342-C344 VanDerWaalsContact C-N 3.33Å; E342-C344 PolarHBondContact O-N 3.49Å; C344-G347 PolarHBondContact O-N 3.45Å; C344-H375 HydrophobicContact CB-CB 4.13Å; C344-A376 HydrophobicContact CB-CB 4.22Å; C344-Y381 WeakPolarHBondContact O-CD2 3.42Å; C344-Y381 WeakPolarHBondContact O-CE2 3.41Å; C344-I384 HydrophobicContact CB-CG2 4.45Å
345I92.4Very high91.4Very high54 Ų5432.8 Ų32.828%0.27716%0.158SC..Hα-helixtrans-65.1-41.4175.8-68.7166.1000111M341 E342 A343 G347 H375M341-I345 VanDerWaalsContact O-CG1 3.27Å; M341-I345 WeakPolarHBondContact O-CG1 3.21Å; M341-I345 PolarHBondContact O-N 3.28Å; E342-I345 PolarHBondContact O-N 3.38Å; A343-I345 PolarHBondContact O-N 3.02Å; I345-G347 VanDerWaalsContact C-N 3.29Å; I345-G347 PolarHBondContact O-N 2.99Å; I345-H375 HydrophobicContact CG1-CB 3.76Å; I345-H375 WeakPolarHBondContact CG1-ND1 3.42Å
346S88.4Confident91.9Very high47 Ų4730.5 Ų30.533%0.32915%0.15SC..Hα-helixtrans-76.2-12.6-179.660.70000114.4E342 A343 N348E342-S346 PolarHBondContact O-N 3.33Å; E342-S346 PolarHBondContact O-OG 2.92Å; A343-S346 PolarHBondContact O-N 3.25Å; A343-S346 PolarHBondContact O-OG 3.45Å; S346-N348 VanDerWaalsContact C-N 3.28Å; S346-N348 PolarHBondContact O-N 3.32Å
347G88.8Confident92.1Very high25 Ų2533 Ų3326%0.25816%0.164SC..THydrogen-bonded Turntrans71.918.8-179.100000114.2A343 C344 I345 Y349 I384A343-G347 PolarHBondContact O-N 3.25Å; A343-G347 VanDerWaalsContact O-N 3.14Å; C344-G347 PolarHBondContact O-N 3.45Å; I345-G347 VanDerWaalsContact C-N 3.29Å; I345-G347 PolarHBondContact O-N 2.99Å; G347-Y349 PolarHBondContact O-N 3.01Å; G347-I384 VanDerWaalsContact C-CD1 3.47Å
348N88.3Confident92.1Very high32 Ų3235 Ų3517%0.17117%0.173CC..  trans-89.596.8-176.5-171.2-20.4000111.3A343 S346 E350 L351 V352A343-N348 PolarHBondContact O-N 3.2Å; S346-N348 VanDerWaalsContact C-N 3.28Å; S346-N348 PolarHBondContact O-N 3.32Å; N348-E350 PolarHBondContact O-N 2.95Å; N348-E350 PolarHBondContact OD1-N 3.23Å; N348-L351 HydrophobicContact CB-CB 4.16Å; N348-L351 HydrophobicContact CB-CD1 3.93Å; N348-L351 HydrophobicContact CB-CG 4.38Å; N348-L351 WeakPolarHBondContact ND2-CD1 3.38Å; N348-L351 PolarHBondContact O-N 3.13Å; N348-L351 PolarHBondContact OD1-N 3.39Å; N348-V352 WeakPolarHBondContact O-CG2 3.35Å; N348-V352 PolarHBondContact O-N 3.13Å; N348-V352 VanDerWaalsContact O-N 3.14Å
349Y90.7Very high91.9Very high94 Ų9437.5 Ų37.537%0.36920%0.198SC..Hα-helixtrans-53.9-47.7-179.6-178.5-89.2000113.2G347 L351 V352 Q353 E383 I384 L387G347-Y349 PolarHBondContact O-N 3.01Å; Y349-L351 VanDerWaalsContact C-N 3.28Å; Y349-L351 PolarHBondContact O-N 3.5Å; Y349-V352 PolarHBondContact O-N 3.26Å; Y349-V352 VanDerWaalsContact O-N 3.14Å; Y349-Q353 PolarHBondContact O-N 3.22Å; Y349-E383 HydrophobicContact CD2-CB 3.97Å; Y349-E383 HydrophobicContact CE2-CB 4.17Å; Y349-I384 HydrophobicContact CD2-CG1 4.38Å; Y349-L387 HydrophobicContact CD2-CD2 4.18Å; Y349-L387 HydrophobicContact CE2-CB 4.31Å; Y349-L387 HydrophobicContact CE2-CD2 3.8Å; Y349-L387 HydrophobicContact CE2-CG 4.5Å
350E90.2Very high91.9Very high110 Ų11037.9 Ų37.951%0.51420%0.202SC..Hα-helixtrans-58.4-41-178.6-62.4178.2171.800111.7N348 Y354 R544N348-E350 PolarHBondContact O-N 2.95Å; N348-E350 PolarHBondContact OD1-N 3.23Å; E350-Y354 VanDerWaalsContact O-CB 3.27Å; E350-Y354 WeakPolarHBondContact O-CB 3.39Å; E350-Y354 PolarHBondContact O-N 3.15Å; E350-R544 IonicContact OE2-NH1 3.16Å; E350-R544 PolarHBondContact OE2-NH1 3.17Å
351L91.1Very high91.8Very high2 Ų243.3 Ų43.31%0.0123%0.227CC..Hα-helixtrans-70.2-38.7178.4-81.4170.8000112.5V311 L316 L319 A343 N348 Y349 Y354 L355V311-L351 HydrophobicContact CG1-CD1 4.16Å; V311-L351 VanDerWaalsContact O-CD1 3.23Å; V311-L351 WeakPolarHBondContact O-CD1 3.4Å; L316-L351 HydrophobicContact CD2-CD2 3.35Å; L316-L351 HydrophobicContact CG-CD2 4.15Å; L319-L351 HydrophobicContact CD1-CD2 4.2Å; A343-L351 HydrophobicContact CB-CB 4.09Å; N348-L351 HydrophobicContact CB-CB 4.16Å; N348-L351 HydrophobicContact CB-CD1 3.93Å; N348-L351 HydrophobicContact CB-CG 4.38Å; N348-L351 WeakPolarHBondContact ND2-CD1 3.38Å; N348-L351 PolarHBondContact O-N 3.13Å; N348-L351 PolarHBondContact OD1-N 3.39Å; Y349-L351 VanDerWaalsContact C-N 3.28Å; Y349-L351 PolarHBondContact O-N 3.5Å; L351-Y354 PolarHBondContact O-N 3.45Å; L351-L355 WeakPolarHBondContact O-CB 3.3Å; L351-L355 VanDerWaalsContact O-CG 3.25Å; L351-L355 WeakPolarHBondContact O-CG 3.48Å; L351-L355 PolarHBondContact O-N 3.44Å
352V93.7Very high91.7Very high0 Ų043.9 Ų43.90%023%0.23CC..Hα-helixtrans-62.6-47.8176.4175.90000109.5L340 A343 N348 Y349 L355 L356 I384 L387 L388L340-V352 HydrophobicContact CD1-CG1 3.95Å; A343-V352 HydrophobicContact CB-CG2 3.7Å; N348-V352 WeakPolarHBondContact O-CG2 3.35Å; N348-V352 PolarHBondContact O-N 3.13Å; N348-V352 VanDerWaalsContact O-N 3.14Å; Y349-V352 PolarHBondContact O-N 3.26Å; Y349-V352 VanDerWaalsContact O-N 3.14Å; V352-L355 PolarHBondContact O-N 2.89Å; V352-L356 HydrophobicContact CG1-CD1 3.92Å; V352-L356 HydrophobicContact CG1-CG 4.46Å; V352-L356 VanDerWaalsContact O-CG 3.27Å; V352-L356 WeakPolarHBondContact O-CG 3.3Å; V352-L356 PolarHBondContact O-N 3.27Å; V352-I384 HydrophobicContact CG1-CG2 4.23Å; V352-I384 HydrophobicContact CG2-CD1 4.29Å; V352-I384 HydrophobicContact CG2-CG2 4.03Å; V352-L387 HydrophobicContact CB-CD2 4.11Å; V352-L387 HydrophobicContact CG1-CD2 3.68Å; V352-L387 HydrophobicContact CG1-CG 4.39Å; V352-L388 HydrophobicContact CG1-CD2 4.27Å
353Q93.3Very high91.7Very high73 Ų7347.1 Ų47.134%0.34125%0.248SC..Hα-helixtrans-59.5-49.6177.2-174.5-179.2-12.500111.5Y349 L355 L356 E357 L387Y349-Q353 PolarHBondContact O-N 3.22Å; Q353-L355 VanDerWaalsContact C-N 3.35Å; Q353-L355 PolarHBondContact O-N 3.27Å; Q353-L356 PolarHBondContact O-N 3.04Å; Q353-E357 WeakPolarHBondContact CG-OE1 3.31Å; Q353-E357 PolarHBondContact NE2-OE1 3.42Å; Q353-E357 WeakPolarHBondContact O-CG 3.5Å; Q353-E357 PolarHBondContact O-N 3Å; Q353-L387 HydrophobicContact CB-CD2 4.02Å
354Y91.9Very high91.6Very high32 Ų3249.9 Ų49.913%0.12526%0.262CS..Hα-helixtrans-58.2-43.6178.9169.3-98.2000112.6L316 L319 D320 F323 E350 L351 E357 K358L316-Y354 HydrophobicContact CD2-CD1 3.76Å; L316-Y354 HydrophobicContact CD2-CE1 3.98Å; L316-Y354 HydrophobicContact CD2-CG 4.06Å; L319-Y354 HydrophobicContact CB-CE1 4.41Å; D320-Y354 PolarHBondContact OD1-OH 3.42Å; F323-Y354 HydrophobicContact CD2-CE1 4.32Å; F323-Y354 AromaticContact CE2-CE1 3.89Å; F323-Y354 HydrophobicContact CE2-CE1 3.89Å; E350-Y354 VanDerWaalsContact O-CB 3.27Å; E350-Y354 WeakPolarHBondContact O-CB 3.39Å; E350-Y354 PolarHBondContact O-N 3.15Å; L351-Y354 PolarHBondContact O-N 3.45Å; Y354-E357 PolarHBondContact O-N 2.94Å; Y354-K358 HydrophobicContact CE1-CG 4.39Å; Y354-K358 VanDerWaalsContact CE2-CE 3.49Å; Y354-K358 HydrophobicContact CE2-CG 4.31Å; Y354-K358 WeakPolarHBondContact O-CG 3.33Å; Y354-K358 PolarHBondContact O-N 3.29Å; Y354-K358 VanDerWaalsContact O-N 3.09Å; Y354-K358 WeakPolarHBondContact OH-CE 3.42Å
355L93.3Very high91.5Very high0 Ų052 Ų520%028%0.276CS..Hα-helixtrans-67.8-36.4178.1-71.4169.5000112.4F323 V329 P339 L340 A343 L351 V352 Q353 K358 G359 A360F323-L355 HydrophobicContact CE2-CD2 3.92Å; F323-L355 HydrophobicContact CZ-CD2 3.77Å; V329-L355 HydrophobicContact CG1-CD2 4.13Å; P339-L355 HydrophobicContact CB-CD1 4.03Å; P339-L355 HydrophobicContact CB-CD2 4.11Å; L340-L355 HydrophobicContact CD1-CB 4.24Å; A343-L355 HydrophobicContact CB-CD1 3.91Å; L351-L355 WeakPolarHBondContact O-CB 3.3Å; L351-L355 VanDerWaalsContact O-CG 3.25Å; L351-L355 WeakPolarHBondContact O-CG 3.48Å; L351-L355 PolarHBondContact O-N 3.44Å; V352-L355 PolarHBondContact O-N 2.89Å; Q353-L355 VanDerWaalsContact C-N 3.35Å; Q353-L355 PolarHBondContact O-N 3.27Å; L355-K358 PolarHBondContact O-N 3.44Å; L355-G359 PolarHBondContact O-N 3.04Å; L355-A360 HydrophobicContact CB-CB 4.31Å; L355-A360 WeakPolarHBondContact O-CB 3.48Å; L355-A360 PolarHBondContact O-N 3.41Å; L355-A360 VanDerWaalsContact O-N 3.08Å
356L93.1Very high91.5Very high35 Ų3550 Ų5018%0.18327%0.265CS..Hα-helixtrans-66.2-40.6174.2-70.2170.9000111.6L340 V352 Q353 K358 G359 V362 L387 P391L340-L356 HydrophobicContact CD1-CD2 4.32Å; L340-L356 HydrophobicContact CD1-CG 4.26Å; L340-L356 HydrophobicContact CD2-CD2 4.11Å; V352-L356 HydrophobicContact CG1-CD1 3.92Å; V352-L356 HydrophobicContact CG1-CG 4.46Å; V352-L356 VanDerWaalsContact O-CG 3.27Å; V352-L356 WeakPolarHBondContact O-CG 3.3Å; V352-L356 PolarHBondContact O-N 3.27Å; Q353-L356 PolarHBondContact O-N 3.04Å; L356-K358 VanDerWaalsContact C-N 3.26Å; L356-K358 PolarHBondContact O-N 3.32Å; L356-G359 WeakPolarHBondContact O-CA 3.46Å; L356-G359 PolarHBondContact O-N 3.03Å; L356-V362 HydrophobicContact CD2-CG2 3.74Å; L356-L387 HydrophobicContact CD1-CD1 4.4Å; L356-L387 HydrophobicContact CD1-CD2 4.16Å; L356-L387 HydrophobicContact CD1-CG 3.79Å; L356-P391 HydrophobicContact CD1-CG 4.48Å; L356-P391 HydrophobicContact CD2-CG 4.41Å
357E92.4Very high91.4Very high135 Ų13550 Ų5063%0.63126%0.26SS*.Hα-helixtrans-62.6-32.2174.5-73.4174.3-171.500112.5Q353 Y354 G359Q353-E357 WeakPolarHBondContact CG-OE1 3.31Å; Q353-E357 PolarHBondContact NE2-OE1 3.42Å; Q353-E357 WeakPolarHBondContact O-CG 3.5Å; Q353-E357 PolarHBondContact O-N 3Å; Y354-E357 PolarHBondContact O-N 2.94Å; E357-G359 PolarHBondContact O-N 3.42Å
358K89.4Confident91.4Very high90 Ų9053.5 Ų53.539%0.39127%0.269SS..THydrogen-bonded Turntrans-77.7-1.4172.7-64.3-65.7-176.1176.10113.8D320 F323 V329 Y354 L355 L356D320-K358 IonicContact OD1-NZ 3.79Å; F323-K358 HydrophobicContact CD2-CG 4.22Å; F323-K358 HydrophobicContact CE2-CG 4.48Å; V329-K358 HydrophobicContact CG2-CB 4.05Å; Y354-K358 HydrophobicContact CE1-CG 4.39Å; Y354-K358 VanDerWaalsContact CE2-CE 3.49Å; Y354-K358 HydrophobicContact CE2-CG 4.31Å; Y354-K358 WeakPolarHBondContact O-CG 3.33Å; Y354-K358 PolarHBondContact O-N 3.29Å; Y354-K358 VanDerWaalsContact O-N 3.09Å; Y354-K358 WeakPolarHBondContact OH-CE 3.42Å; L355-K358 PolarHBondContact O-N 3.44Å; L356-K358 VanDerWaalsContact C-N 3.26Å; L356-K358 PolarHBondContact O-N 3.32Å
359G89.3Confident91.6Very high51 Ų5157.3 Ų57.353%0.52628%0.284SS..THydrogen-bonded Turntrans8930.6174.900000115.1L355 L356 E357L355-G359 PolarHBondContact O-N 3.04Å; L356-G359 WeakPolarHBondContact O-CA 3.46Å; L356-G359 PolarHBondContact O-N 3.03Å; E357-G359 PolarHBondContact O-N 3.42Å
360A92.7Very high91.8Very high9 Ų955 Ų557%0.07427%0.274CS..  trans-62.8139175.100000112.9V329 L340 L355 V362V329-A360 HydrophobicContact CG1-CB 3.76Å; L340-A360 HydrophobicContact CB-CB 4.3Å; L340-A360 HydrophobicContact CD2-CB 4.07Å; L355-A360 HydrophobicContact CB-CB 4.31Å; L355-A360 WeakPolarHBondContact O-CB 3.48Å; L355-A360 PolarHBondContact O-N 3.41Å; L355-A360 VanDerWaalsContact O-N 3.08Å; A360-V362 PolarHBondContact O-N 3.38Å
361E93Very high92Very high114 Ų11449.9 Ų49.953%0.53325%0.251SS..  trans-77.3115.2178.9-74.4-71.9166.200111.7D330 N363 M364D330-E361 PolarHBondContact OD1-N 3.41Å; D330-E361 WeakPolarHBondContact OD2-CG 3.5Å; E361-N363 VanDerWaalsContact C-N 3.33Å; E361-N363 PolarHBondContact O-N 3.31Å; E361-M364 HydrophobicContact CB-CG 3.59Å; E361-M364 HydrophobicContact CB-SD 4.48Å
362V93.6Very high92.2Very high13 Ų1349.8 Ų49.88%0.07925%0.251CS..THydrogen-bonded Turntrans-72.4-24.5-170.2-163.40000113.3L356 A360 P372 L388 P391 A393L356-V362 HydrophobicContact CD2-CG2 3.74Å; A360-V362 PolarHBondContact O-N 3.38Å; V362-P372 VanDerWaalsContact O-CD 3.27Å; V362-P372 WeakPolarHBondContact O-CD 3.43Å; V362-P372 WeakPolarHBondContact O-CG 3.34Å; V362-L388 HydrophobicContact CG1-CB 4.28Å; V362-L388 HydrophobicContact CG1-CD2 3.82Å; V362-P391 HydrophobicContact CG2-CB 4.16Å; V362-P391 HydrophobicContact CG2-CG 4.06Å; V362-A393 HydrophobicContact CG1-CB 3.74Å
363N92.9Very high92.3Very high74 Ų7449.9 Ų49.940%0.39625%0.251SS..THydrogen-bonded Turntrans-10413.4-173.3-69.7-52.1000113.8E361 G392 A393 D394E361-N363 VanDerWaalsContact C-N 3.33Å; E361-N363 PolarHBondContact O-N 3.31Å; N363-G392 PolarHBondContact ND2-O 3.46Å; N363-A393 WeakPolarHBondContact OD1-CA 3.49Å; N363-D394 PolarHBondContact OD1-N 3.09Å
364M92.1Very high92.4Very high58 Ų5846.4 Ų46.429%0.28624%0.235SC..  trans-62.9153173.8-72-65.1-76.600111.3Q332 T338 M341 E361 T371 P372Q332-M364 HydrophobicContact CG-CE 4.39Å; T338-M364 HydrophobicContact CG2-CB 3.99Å; T338-M364 HydrophobicContact CG2-CE 4.48Å; T338-M364 HydrophobicContact CG2-CG 4.39Å; M341-M364 HydrophobicContact CE-CB 4.01Å; M341-M364 WeakPolarHBondContact CE-O 3.47Å; E361-M364 HydrophobicContact CB-CG 3.59Å; E361-M364 HydrophobicContact CB-SD 4.48Å; M364-T371 WeakPolarHBondContact O-CA 3.41Å; M364-P372 VanDerWaalsContact O-CD 3.24Å; M364-P372 WeakPolarHBondContact O-CD 3.41Å
365C91.6Very high92.5Very high45 Ų4545.6 Ų45.630%0.30423%0.232SC..  trans-125.3140.2-174.3-76.40000111.7Q332 M341 F369 W370Q332-C365 PolarHBondContact NE2-O 2.91Å; M341-C365 VanDerWaalsContact CE-C 3.46Å; C365-F369 HydrophobicContact CB-CD1 4.33Å; C365-W370 WeakPolarHBondContact CA-O 3.38Å
366D90.8Very high92.6Very high10 Ų1045.6 Ų45.65%0.05323%0.232CC..  trans-81.6-174.1171.877.61.9000112.6K337 M341 F368 F369 W370 H375K337-D366 HydrophobicContact CG-CB 4.31Å; M341-D366 HydrophobicContact CE-CB 4.46Å; M341-D366 HydrophobicContact SD-CB 3.91Å; D366-F368 PolarHBondContact O-N 3.2Å; D366-F368 VanDerWaalsContact O-N 3.07Å; D366-F368 WeakPolarHBondContact OD1-CA 3.48Å; D366-F368 WeakPolarHBondContact OD1-CB 3.48Å; D366-F368 PolarHBondContact OD1-N 2.99Å; D366-F369 PolarHBondContact O-N 3.1Å; D366-F369 PolarHBondContact OD1-N 3.46Å; D366-W370 PolarHBondContact N-O 3.01Å; D366-W370 WeakPolarHBondContact OD1-CB 3.49Å; D366-W370 PolarHBondContact OD1-N 3.02Å; D366-H375 IonicContact OD2-CE1 3.24Å; D366-H375 IonicContact OD2-NE2 3.21Å; D366-H375 PolarHBondContact OD2-NE2 3.15Å
367Q87.4Confident92.6Very high47 Ų4744 Ų4422%0.2222%0.223CC..THydrogen-bonded Turntrans-58.7-19178.166.9179-2700115C247 F335 Y336C247-Q367 HydrophobicContact CB-CB 4.29Å; F335-Q367 PolarHBondContact O-N 3.03Å; Y336-Q367 HydrophobicContact CD2-CB 4.28Å
368F89.7Confident92.7Very high99 Ų9940.8 Ų40.843%0.43421%0.211SC..THydrogen-bonded Turntrans-104.112.8177.1-57.7-63.3000112.2D366 W370 L400D366-F368 PolarHBondContact O-N 3.2Å; D366-F368 VanDerWaalsContact O-N 3.07Å; D366-F368 WeakPolarHBondContact OD1-CA 3.48Å; D366-F368 WeakPolarHBondContact OD1-CB 3.48Å; D366-F368 PolarHBondContact OD1-N 2.99Å; F368-W370 HydrophobicContact CB-CG 4.45Å; F368-W370 PolarHBondContact O-N 3.13Å; F368-L400 HydrophobicContact CD1-CD2 4.22Å; F368-L400 VanDerWaalsContact O-CB 3.3Å; F368-L400 WeakPolarHBondContact O-CB 3.41Å; F368-L400 PolarHBondContact O-N 3.23Å
369F91.3Very high92.7Very high113 Ų11338.1 Ų38.150%0.49621%0.209SC..  trans5828.3-172.2-59.8-75.7000113.5C365 D366 L400C365-F369 HydrophobicContact CB-CD1 4.33Å; D366-F369 PolarHBondContact O-N 3.1Å; D366-F369 PolarHBondContact OD1-N 3.46Å; F369-L400 HydrophobicContact CD2-CB 4.08Å; F369-L400 HydrophobicContact CD2-CD1 3.98Å; F369-L400 HydrophobicContact CE2-CD1 3.98Å
370W94Very high92.7Very high44 Ų4436.6 Ų36.617%0.16719%0.193CC..  trans-82.3129.5172-73.428.8000109.5C365 D366 F368 H374 H375 N378C365-W370 WeakPolarHBondContact CA-O 3.38Å; D366-W370 PolarHBondContact N-O 3.01Å; D366-W370 WeakPolarHBondContact OD1-CB 3.49Å; D366-W370 PolarHBondContact OD1-N 3.02Å; F368-W370 HydrophobicContact CB-CG 4.45Å; F368-W370 PolarHBondContact O-N 3.13Å; W370-H374 HydrophobicContact CB-CB 3.98Å; W370-H374 HydrophobicContact CD2-CB 4.15Å; W370-H374 HydrophobicContact CE3-CB 4.13Å; W370-H374 HydrophobicContact CG-CB 4.1Å; W370-H375 AromaticContact CE3-CE1 3.39Å; W370-H375 AromaticContact CE3-ND1 3.5Å; W370-H375 AromaticContact CE3-NE2 3.94Å; W370-H375 AromaticContact CZ3-ND1 3.93Å; W370-N378 HydrophobicContact CZ3-CB 4.26Å
371T94.8Very high92.8Very high4 Ų440.4 Ų40.43%0.02521%0.206CC..  trans-85.7163.6171.162.70000110.9M364 L373 H374 H375 A397M364-T371 WeakPolarHBondContact O-CA 3.41Å; T371-L373 PolarHBondContact O-N 2.88Å; T371-L373 VanDerWaalsContact O-N 3.15Å; T371-H374 PolarHBondContact N-ND1 3.41Å; T371-H374 WeakPolarHBondContact O-CB 3.37Å; T371-H374 PolarHBondContact O-N 3.19Å; T371-H374 PolarHBondContact OG1-N 2.91Å; T371-H374 PolarHBondContact OG1-ND1 3.06Å; T371-H375 PolarHBondContact O-CD2 2.94Å; T371-H375 PolarHBondContact O-N 3.05Å; T371-A397 HydrophobicContact CG2-CB 3.82Å
372P95.5Very high92.8Very high0 Ų037.3 Ų37.30%019%0.193CC..Hα-helixtrans-46.5-39.8168.7-29.833.9000113.3L340 M341 V362 M364 H374 H375 A376 L388L340-P372 HydrophobicContact CD2-CB 4.19Å; L340-P372 HydrophobicContact CD2-CG 3.86Å; L340-P372 HydrophobicContact CG-CB 4.14Å; L340-P372 HydrophobicContact CG-CG 4.07Å; M341-P372 HydrophobicContact CG-CG 3.87Å; V362-P372 VanDerWaalsContact O-CD 3.27Å; V362-P372 WeakPolarHBondContact O-CD 3.43Å; V362-P372 WeakPolarHBondContact O-CG 3.34Å; M364-P372 VanDerWaalsContact O-CD 3.24Å; M364-P372 WeakPolarHBondContact O-CD 3.41Å; P372-H374 PolarHBondContact O-N 3.29Å; P372-H375 PolarHBondContact O-N 2.85Å; P372-H375 VanDerWaalsContact O-N 3.16Å; P372-A376 PolarHBondContact O-N 3.1Å; P372-L388 HydrophobicContact CB-CD1 4.16Å; P372-L388 HydrophobicContact CB-CD2 4.15Å
373L95.7Very high92.8Very high1 Ų143 Ų431%0.00522%0.219CC..Hα-helixtrans-63.8-35.6177.3-172.162.9000113.1T371 A377 V385 L388 V389 A393 P405 L421T371-L373 PolarHBondContact O-N 2.88Å; T371-L373 VanDerWaalsContact O-N 3.15Å; L373-A377 WeakPolarHBondContact O-CB 3.47Å; L373-A377 PolarHBondContact O-N 2.99Å; L373-V385 HydrophobicContact CD1-CB 4.38Å; L373-V385 HydrophobicContact CD1-CG1 3.95Å; L373-V385 HydrophobicContact CD1-CG2 4.31Å; L373-L388 HydrophobicContact CD1-CB 4.33Å; L373-L388 HydrophobicContact CD1-CD1 4.4Å; L373-V389 HydrophobicContact CD1-CG2 4.09Å; L373-V389 HydrophobicContact CD2-CG2 4.36Å; L373-A393 HydrophobicContact CB-CB 4.4Å; L373-A393 HydrophobicContact CD2-CB 4.06Å; L373-P405 HydrophobicContact CD2-CB 4.09Å; L373-P405 HydrophobicContact CD2-CG 3.92Å; L373-P405 HydrophobicContact CG-CB 3.93Å; L373-P405 HydrophobicContact CG-CG 4.06Å; L373-L421 HydrophobicContact CD1-CD2 4.42Å; L373-L421 HydrophobicContact CD2-CD2 4.45Å
374H95.1Very high92.9Very high0 Ų039.6 Ų39.60%020%0.201CC..Hα-helixtrans-63.6-42.3173.2-73.885.8000111.6W370 T371 P372 N378 A397 G403 P405W370-H374 HydrophobicContact CB-CB 3.98Å; W370-H374 HydrophobicContact CD2-CB 4.15Å; W370-H374 HydrophobicContact CE3-CB 4.13Å; W370-H374 HydrophobicContact CG-CB 4.1Å; T371-H374 PolarHBondContact N-ND1 3.41Å; T371-H374 WeakPolarHBondContact O-CB 3.37Å; T371-H374 PolarHBondContact O-N 3.19Å; T371-H374 PolarHBondContact OG1-N 2.91Å; T371-H374 PolarHBondContact OG1-ND1 3.06Å; P372-H374 PolarHBondContact O-N 3.29Å; H374-N378 VanDerWaalsContact O-CB 3.23Å; H374-N378 WeakPolarHBondContact O-CB 3.35Å; H374-N378 PolarHBondContact O-N 2.85Å; H374-A397 PolarHBondContact CE1-O 3.25Å; H374-A397 VanDerWaalsContact CE1-O 3.29Å; H374-A397 PolarHBondContact NE2-O 3.35Å; H374-G403 PolarHBondContact NE2-O 3.21Å; H374-P405 WeakPolarHBondContact NE2-CD 3.4Å
375H94.4Very high93Very high16 Ų1636.9 Ų36.97%0.07419%0.187CC..Hα-helixtrans-66.9-44.5178.9-71.1-69.2000111.5C344 I345 D366 W370 T371 P372 N378 G379C344-H375 HydrophobicContact CB-CB 4.13Å; I345-H375 HydrophobicContact CG1-CB 3.76Å; I345-H375 WeakPolarHBondContact CG1-ND1 3.42Å; D366-H375 IonicContact OD2-CE1 3.24Å; D366-H375 IonicContact OD2-NE2 3.21Å; D366-H375 PolarHBondContact OD2-NE2 3.15Å; W370-H375 AromaticContact CE3-CE1 3.39Å; W370-H375 AromaticContact CE3-ND1 3.5Å; W370-H375 AromaticContact CE3-NE2 3.94Å; W370-H375 AromaticContact CZ3-ND1 3.93Å; T371-H375 PolarHBondContact O-CD2 2.94Å; T371-H375 PolarHBondContact O-N 3.05Å; P372-H375 PolarHBondContact O-N 2.85Å; P372-H375 VanDerWaalsContact O-N 3.16Å; H375-N378 PolarHBondContact O-N 3.35Å; H375-G379 PolarHBondContact O-N 2.89Å
376A94.8Very high93.1Very high0 Ų038.3 Ų38.30%019%0.19CC..Hα-helixtrans-62.8-44.7176.300000112.3C344 P372 G379 G380 Y381 I384 V385 L388C344-A376 HydrophobicContact CB-CB 4.22Å; P372-A376 PolarHBondContact O-N 3.1Å; A376-G379 PolarHBondContact O-N 3.25Å; A376-G380 PolarHBondContact O-N 3.17Å; A376-G380 VanDerWaalsContact O-N 3.1Å; A376-Y381 PolarHBondContact O-N 3.42Å; A376-I384 HydrophobicContact CB-CB 4.36Å; A376-I384 HydrophobicContact CB-CG2 3.72Å; A376-V385 HydrophobicContact CB-CG2 3.86Å; A376-L388 HydrophobicContact CB-CD1 3.83Å
377A93.8Very high93.3Very high0 Ų039.2 Ų39.20%019%0.194CC..Hα-helixtrans-64.3-4017700000112.2L373 G379 G380 P405 R408 A409 S412 L421L373-A377 WeakPolarHBondContact O-CB 3.47Å; L373-A377 PolarHBondContact O-N 2.99Å; A377-G379 VanDerWaalsContact C-N 3.29Å; A377-G379 PolarHBondContact O-N 3.02Å; A377-G380 PolarHBondContact O-N 3.19Å; A377-G380 VanDerWaalsContact O-N 3.15Å; A377-P405 HydrophobicContact CB-CB 4.29Å; A377-P405 WeakPolarHBondContact CB-O 3.42Å; A377-R408 HydrophobicContact CB-CB 4.26Å; A377-A409 HydrophobicContact CB-CB 4.2Å; A377-A409 WeakPolarHBondContact O-CA 3.5Å; A377-S412 PolarHBondContact O-OG 3.24Å; A377-L421 HydrophobicContact CB-CD1 4.31Å
378N94Very high93.6Very high69 Ų6937 Ų3737%0.36918%0.184SC..Hα-helixtrans-66.9-29.6175.8-17187.2000112.8W370 H374 H375 G380 R408 S412W370-N378 HydrophobicContact CZ3-CB 4.26Å; H374-N378 VanDerWaalsContact O-CB 3.23Å; H374-N378 WeakPolarHBondContact O-CB 3.35Å; H374-N378 PolarHBondContact O-N 2.85Å; H375-N378 PolarHBondContact O-N 3.35Å; N378-G380 VanDerWaalsContact C-N 3.33Å; N378-R408 HydrophobicContact CB-CB 4.07Å; N378-S412 VanDerWaalsContact O-CB 3.23Å; N378-S412 WeakPolarHBondContact O-CB 3.3Å
379G89.4Confident93.7Very high33 Ų3333.5 Ų33.534%0.3417%0.171SC..Hα-helixtrans-80.2-12173.200000114H375 A376 A377 Y381H375-G379 PolarHBondContact O-N 2.89Å; A376-G379 PolarHBondContact O-N 3.25Å; A377-G379 VanDerWaalsContact C-N 3.29Å; A377-G379 PolarHBondContact O-N 3.02Å; G379-Y381 VanDerWaalsContact C-N 3.28Å; G379-Y381 PolarHBondContact O-N 3.23Å
380G90.8Very high93.6Very high20 Ų2034.2 Ų34.221%0.20618%0.18CC..THydrogen-bonded Turntrans70.419.4-176.900000114.5A376 A377 N378 L382 S414 C417A376-G380 PolarHBondContact O-N 3.17Å; A376-G380 VanDerWaalsContact O-N 3.1Å; A377-G380 PolarHBondContact O-N 3.19Å; A377-G380 VanDerWaalsContact O-N 3.15Å; N378-G380 VanDerWaalsContact C-N 3.33Å; G380-L382 PolarHBondContact O-N 3.33Å; G380-S414 PolarHBondContact O-OG 3.47Å; G380-C417 VanDerWaalsContact C-SG 3.51Å; G380-C417 PolarHBondContact O-SG 2.93Å; G380-C417 VanDerWaalsContact O-SG 3.4Å
381Y93.8Very high93.2Very high88 Ų8835.6 Ų35.635%0.34519%0.194SC..  trans-84.287.9-176-55.4-53.8000111.7C344 A376 G379 E383 I384 V385C344-Y381 WeakPolarHBondContact O-CD2 3.42Å; C344-Y381 WeakPolarHBondContact O-CE2 3.41Å; A376-Y381 PolarHBondContact O-N 3.42Å; G379-Y381 VanDerWaalsContact C-N 3.28Å; G379-Y381 PolarHBondContact O-N 3.23Å; Y381-E383 PolarHBondContact O-N 3.31Å; Y381-I384 HydrophobicContact CD2-CD1 4.2Å; Y381-I384 HydrophobicContact CG-CD1 4.15Å; Y381-I384 PolarHBondContact O-N 3.18Å; Y381-V385 WeakPolarHBondContact O-CG2 3.47Å; Y381-V385 PolarHBondContact O-N 3.25Å
382L93Very high92.9Very high50 Ų5037.5 Ų37.526%0.26222%0.215SC..Hα-helixtrans-54.2-49.7-176.8177.165.7000112.6G380 I384 V385 E386 C417 F420G380-L382 PolarHBondContact O-N 3.33Å; L382-I384 PolarHBondContact O-N 3.41Å; L382-V385 WeakPolarHBondContact O-CA 3.34Å; L382-V385 WeakPolarHBondContact O-CB 3.47Å; L382-V385 PolarHBondContact O-N 2.74Å; L382-E386 HydrophobicContact CD1-CG 4.2Å; L382-E386 HydrophobicContact CG-CG 4.37Å; L382-E386 WeakPolarHBondContact O-CG 3.39Å; L382-E386 PolarHBondContact O-N 2.84Å; L382-C417 VanDerWaalsContact CA-SG 3.57Å; L382-C417 PolarHBondContact N-SG 3.43Å; L382-F420 HydrophobicContact CD1-CB 3.68Å; L382-F420 HydrophobicContact CD1-CG 4.03Å
383E93.8Very high92.7Very high133 Ų13337.9 Ų37.962%0.62122%0.218SC*.Hα-helixtrans-59.1-36.1-176.4-62.4154.617300111.9Y349 Y381 L387Y349-E383 HydrophobicContact CD2-CB 3.97Å; Y349-E383 HydrophobicContact CE2-CB 4.17Å; Y381-E383 PolarHBondContact O-N 3.31Å; E383-L387 VanDerWaalsContact O-CB 3.29Å; E383-L387 WeakPolarHBondContact O-CB 3.38Å; E383-L387 PolarHBondContact O-N 3.36Å; E383-L387 VanDerWaalsContact O-N 3.09Å
384I94.8Very high92.6Very high2 Ų241.7 Ų41.71%0.0124%0.238CC..Hα-helixtrans-75.2-38.8176.5-62.8177.4000110.6C344 G347 Y349 V352 A376 Y381 L382 L387 L388C344-I384 HydrophobicContact CB-CG2 4.45Å; G347-I384 VanDerWaalsContact C-CD1 3.47Å; Y349-I384 HydrophobicContact CD2-CG1 4.38Å; V352-I384 HydrophobicContact CG1-CG2 4.23Å; V352-I384 HydrophobicContact CG2-CD1 4.29Å; V352-I384 HydrophobicContact CG2-CG2 4.03Å; A376-I384 HydrophobicContact CB-CB 4.36Å; A376-I384 HydrophobicContact CB-CG2 3.72Å; Y381-I384 HydrophobicContact CD2-CD1 4.2Å; Y381-I384 HydrophobicContact CG-CD1 4.15Å; Y381-I384 PolarHBondContact O-N 3.18Å; L382-I384 PolarHBondContact O-N 3.41Å; I384-L387 PolarHBondContact O-N 3.06Å; I384-L388 HydrophobicContact CG2-CD1 3.97Å; I384-L388 HydrophobicContact CG2-CG 4.35Å; I384-L388 VanDerWaalsContact O-CG 3.23Å; I384-L388 WeakPolarHBondContact O-CG 3.35Å; I384-L388 PolarHBondContact O-N 2.84Å
385V94.6Very high92.5Very high0 Ų042.3 Ų42.30%024%0.242CC..Hα-helixtrans-59.5-46.7174.8167.80000110.5L373 A376 Y381 L382 L388 V389 F420 L421L373-V385 HydrophobicContact CD1-CB 4.38Å; L373-V385 HydrophobicContact CD1-CG1 3.95Å; L373-V385 HydrophobicContact CD1-CG2 4.31Å; A376-V385 HydrophobicContact CB-CG2 3.86Å; Y381-V385 WeakPolarHBondContact O-CG2 3.47Å; Y381-V385 PolarHBondContact O-N 3.25Å; L382-V385 WeakPolarHBondContact O-CA 3.34Å; L382-V385 WeakPolarHBondContact O-CB 3.47Å; L382-V385 PolarHBondContact O-N 2.74Å; V385-L388 PolarHBondContact O-N 3.11Å; V385-V389 WeakPolarHBondContact O-CG2 3.28Å; V385-V389 PolarHBondContact O-N 3.18Å; V385-F420 HydrophobicContact CG1-CD1 3.74Å; V385-F420 HydrophobicContact CG1-CE1 4.04Å; V385-L421 HydrophobicContact CG1-CD2 3.9Å; V385-L421 HydrophobicContact CG1-CG 4.2Å
386E94.2Very high92.4Very high76 Ų7643.3 Ų43.336%0.35525%0.248SC..Hα-helixtrans-60.1-47175.5-66.1-175.4175.700111.4L382 L388 V389 N390 F420L382-E386 HydrophobicContact CD1-CG 4.2Å; L382-E386 HydrophobicContact CG-CG 4.37Å; L382-E386 WeakPolarHBondContact O-CG 3.39Å; L382-E386 PolarHBondContact O-N 2.84Å; E386-L388 PolarHBondContact O-N 2.88Å; E386-V389 PolarHBondContact O-N 3.16Å; E386-N390 PolarHBondContact O-N 2.87Å; E386-N390 VanDerWaalsContact O-N 3.1Å; E386-N390 PolarHBondContact O-ND2 3.48Å; E386-F420 HydrophobicContact CB-CE1 4.44Å; E386-F420 HydrophobicContact CB-CZ 4.14Å; E386-F420 HydrophobicContact CG-CD1 4.21Å; E386-F420 HydrophobicContact CG-CD2 3.95Å; E386-F420 HydrophobicContact CG-CE1 3.9Å; E386-F420 HydrophobicContact CG-CE2 3.65Å; E386-F420 HydrophobicContact CG-CG 4.23Å; E386-F420 HydrophobicContact CG-CZ 3.63Å
387L93.6Very high92.2Very high29 Ų2943.8 Ų43.815%0.15225%0.252CS..Hα-helixtrans-61.8-29.5179.5-173.464.8000113.2Y349 V352 Q353 L356 E383 I384 P391Y349-L387 HydrophobicContact CD2-CD2 4.18Å; Y349-L387 HydrophobicContact CE2-CB 4.31Å; Y349-L387 HydrophobicContact CE2-CD2 3.8Å; Y349-L387 HydrophobicContact CE2-CG 4.5Å; V352-L387 HydrophobicContact CB-CD2 4.11Å; V352-L387 HydrophobicContact CG1-CD2 3.68Å; V352-L387 HydrophobicContact CG1-CG 4.39Å; Q353-L387 HydrophobicContact CB-CD2 4.02Å; L356-L387 HydrophobicContact CD1-CD1 4.4Å; L356-L387 HydrophobicContact CD1-CD2 4.16Å; L356-L387 HydrophobicContact CD1-CG 3.79Å; E383-L387 VanDerWaalsContact O-CB 3.29Å; E383-L387 WeakPolarHBondContact O-CB 3.38Å; E383-L387 PolarHBondContact O-N 3.36Å; E383-L387 VanDerWaalsContact O-N 3.09Å; I384-L387 PolarHBondContact O-N 3.06Å; L387-P391 WeakPolarHBondContact O-CD 3.31Å; L387-P391 VanDerWaalsContact O-CG 3.28Å; L387-P391 WeakPolarHBondContact O-CG 3.47Å
388L93.8Very high92.1Very high0 Ų049.8 Ų49.80%028%0.278CS..Hα-helixtrans-84.4-34.6176.2-68169.1000113L340 V352 V362 P372 L373 A376 I384 V385 E386 P391 A393L340-L388 HydrophobicContact CD1-CD2 4.38Å; L340-L388 HydrophobicContact CD2-CD2 4.31Å; V352-L388 HydrophobicContact CG1-CD2 4.27Å; V362-L388 HydrophobicContact CG1-CB 4.28Å; V362-L388 HydrophobicContact CG1-CD2 3.82Å; P372-L388 HydrophobicContact CB-CD1 4.16Å; P372-L388 HydrophobicContact CB-CD2 4.15Å; L373-L388 HydrophobicContact CD1-CB 4.33Å; L373-L388 HydrophobicContact CD1-CD1 4.4Å; A376-L388 HydrophobicContact CB-CD1 3.83Å; I384-L388 HydrophobicContact CG2-CD1 3.97Å; I384-L388 HydrophobicContact CG2-CG 4.35Å; I384-L388 VanDerWaalsContact O-CG 3.23Å; I384-L388 WeakPolarHBondContact O-CG 3.35Å; I384-L388 PolarHBondContact O-N 2.84Å; V385-L388 PolarHBondContact O-N 3.11Å; E386-L388 PolarHBondContact O-N 2.88Å; L388-P391 VanDerWaalsContact O-CD 3.25Å; L388-P391 WeakPolarHBondContact O-CD 3.27Å; L388-P391 VanDerWaalsContact O-CG 3.32Å; L388-P391 WeakPolarHBondContact O-CG 3.44Å; L388-A393 HydrophobicContact CB-CB 4.28Å; L388-A393 WeakPolarHBondContact O-CB 3.46Å; L388-A393 PolarHBondContact O-N 3.04Å
389V92.7Very high92Very high26 Ų2646.7 Ų46.716%0.15826%0.262CS..Hα-helixtrans-70.2-37.9179.7171.10000111.4L373 V385 E386 G392 V395 F420L373-V389 HydrophobicContact CD1-CG2 4.09Å; L373-V389 HydrophobicContact CD2-CG2 4.36Å; V385-V389 WeakPolarHBondContact O-CG2 3.28Å; V385-V389 PolarHBondContact O-N 3.18Å; E386-V389 PolarHBondContact O-N 3.16Å; V389-G392 PolarHBondContact O-N 2.78Å; V389-V395 HydrophobicContact CG1-CG2 4.34Å; V389-V395 HydrophobicContact CG2-CG2 4.15Å; V389-F420 HydrophobicContact CB-CE1 4.1Å; V389-F420 HydrophobicContact CB-CZ 4.47Å; V389-F420 HydrophobicContact CG1-CE1 4.34Å; V389-F420 HydrophobicContact CG1-CZ 4.48Å; V389-F420 HydrophobicContact CG2-CE1 4.06Å
390N88.8Confident92Very high128 Ų12848.9 Ų48.968%0.68427%0.266SS*.THydrogen-bonded Turntrans-53.8-47.1177.3-70.9-25.1000114.8E386 G392E386-N390 PolarHBondContact O-N 2.87Å; E386-N390 VanDerWaalsContact O-N 3.1Å; E386-N390 PolarHBondContact O-ND2 3.48Å; N390-G392 PolarHBondContact O-N 2.72Å
391P85.7Confident92Very high72 Ų7250.6 Ų50.647%0.46827%0.27SS..THydrogen-bonded Turntrans-77.75.6175.228.7-34.9000114.4L356 V362 L387 L388L356-P391 HydrophobicContact CD1-CG 4.48Å; L356-P391 HydrophobicContact CD2-CG 4.41Å; V362-P391 HydrophobicContact CG2-CB 4.16Å; V362-P391 HydrophobicContact CG2-CG 4.06Å; L387-P391 WeakPolarHBondContact O-CD 3.31Å; L387-P391 VanDerWaalsContact O-CG 3.28Å; L387-P391 WeakPolarHBondContact O-CG 3.47Å; L388-P391 VanDerWaalsContact O-CD 3.25Å; L388-P391 WeakPolarHBondContact O-CD 3.27Å; L388-P391 VanDerWaalsContact O-CG 3.32Å; L388-P391 WeakPolarHBondContact O-CG 3.44Å
392G88.4Confident91.8Very high45 Ų4548.8 Ų48.846%0.46427%0.266SS..THydrogen-bonded Turntrans97.634.8172.300000115.5N363 V389 N390N363-G392 PolarHBondContact ND2-O 3.46Å; V389-G392 PolarHBondContact O-N 2.78Å; N390-G392 PolarHBondContact O-N 2.72Å
393A92.4Very high91.6Very high8 Ų846.4 Ų46.47%0.06625%0.254CS..  trans-59.6137.1168.600000111.8V362 N363 L373 L388 V395V362-A393 HydrophobicContact CG1-CB 3.74Å; N363-A393 WeakPolarHBondContact OD1-CA 3.49Å; L373-A393 HydrophobicContact CB-CB 4.4Å; L373-A393 HydrophobicContact CD2-CB 4.06Å; L388-A393 HydrophobicContact CB-CB 4.28Å; L388-A393 WeakPolarHBondContact O-CB 3.46Å; L388-A393 PolarHBondContact O-N 3.04Å; A393-V395 PolarHBondContact O-N 3.22Å
394D92Very high91.5Very high81 Ų8140.2 Ų40.243%0.43323%0.225SC..  trans-72.6101.1173.6-177.68.2000110.8N363 N396 A397N363-D394 PolarHBondContact OD1-N 3.09Å; D394-N396 PolarHBondContact O-N 2.99Å; D394-N396 VanDerWaalsContact O-N 3.13Å; D394-N396 WeakPolarHBondContact OD1-CA 3.49Å; D394-N396 PolarHBondContact OD1-N 3Å; D394-A397 HydrophobicContact CB-CB 4.18Å; D394-A397 WeakPolarHBondContact O-CB 3.5Å; D394-A397 PolarHBondContact O-N 2.98Å; D394-A397 VanDerWaalsContact O-N 3.15Å; D394-A397 PolarHBondContact OD1-N 3.3Å
395V93.4Very high91.5Very high12 Ų1240.1 Ų40.17%0.07323%0.225CC..THydrogen-bonded Turntrans-58.6-22.9177.2-174.50000112.4V389 A393 P405 L421 A426V389-V395 HydrophobicContact CG1-CG2 4.34Å; V389-V395 HydrophobicContact CG2-CG2 4.15Å; A393-V395 PolarHBondContact O-N 3.22Å; V395-P405 WeakPolarHBondContact O-CD 3.39Å; V395-L421 HydrophobicContact CG1-CD2 4Å; V395-A426 HydrophobicContact CG1-CB 3.72Å
396N92.1Very high91.4Very high38 Ų3840.1 Ų40.120%0.20323%0.225CC..THydrogen-bonded Turntrans-109.916.8-177.2-67.5-66.6000113.3D394 G425 K427D394-N396 PolarHBondContact O-N 2.99Å; D394-N396 VanDerWaalsContact O-N 3.13Å; D394-N396 WeakPolarHBondContact OD1-CA 3.49Å; D394-N396 PolarHBondContact OD1-N 3Å; N396-G425 PolarHBondContact ND2-O 3.16Å; N396-K427 WeakPolarHBondContact OD1-CB 3.43Å; N396-K427 WeakPolarHBondContact OD1-CG 3.25Å; N396-K427 PolarHBondContact OD1-N 2.92Å
397A91.9Very high91.3Very high10 Ų1036.6 Ų36.68%0.08321%0.208CC..  trans-54.9140.6176.200000110.9T371 H374 D394 P405T371-A397 HydrophobicContact CG2-CB 3.82Å; H374-A397 PolarHBondContact CE1-O 3.25Å; H374-A397 VanDerWaalsContact CE1-O 3.29Å; H374-A397 PolarHBondContact NE2-O 3.35Å; D394-A397 HydrophobicContact CB-CB 4.18Å; D394-A397 WeakPolarHBondContact O-CB 3.5Å; D394-A397 PolarHBondContact O-N 2.98Å; D394-A397 VanDerWaalsContact O-N 3.15Å; D394-A397 PolarHBondContact OD1-N 3.3Å; A397-P405 WeakPolarHBondContact O-CD 3.49Å
398K91.9Very high91.2Very high126 Ų12636.2 Ų36.255%0.54821%0.205SC..  trans-108.2123.7-177.7-68.5-172.8174.4-166.90111.3
399A91.6Very high91.1Very high4 Ų436.2 Ų36.23%0.03321%0.205CC..  trans-72.8175.917000000112.4N401 D402 G403A399-N401 WeakPolarHBondContact CB-OD1 3.35Å; A399-N401 PolarHBondContact O-N 3.48Å; A399-N401 VanDerWaalsContact O-N 3.08Å; A399-D402 WeakPolarHBondContact O-CA 3.46Å; A399-D402 PolarHBondContact O-N 3.24Å; A399-G403 WeakPolarHBondContact CB-O 3.42Å; A399-G403 PolarHBondContact N-O 2.96Å
400L89.8Confident91Very high79 Ų7935.1 Ų35.141%0.41420%0.198SC..THydrogen-bonded Turntrans-56.7-27.6178.8-176.565.7000113.1F368 F369 D402 K433F368-L400 HydrophobicContact CD1-CD2 4.22Å; F368-L400 VanDerWaalsContact O-CB 3.3Å; F368-L400 WeakPolarHBondContact O-CB 3.41Å; F368-L400 PolarHBondContact O-N 3.23Å; F369-L400 HydrophobicContact CD2-CB 4.08Å; F369-L400 HydrophobicContact CD2-CD1 3.98Å; F369-L400 HydrophobicContact CE2-CD1 3.98Å; L400-D402 VanDerWaalsContact C-N 3.34Å; L400-K433 WeakPolarHBondContact O-CD 3.43Å; L400-K433 WeakPolarHBondContact O-CE 3.45Å; L400-K433 PolarHBondContact O-NZ 3.03Å
401N88.9Confident91Very high55 Ų5531.3 Ų31.329%0.29418%0.176SC..THydrogen-bonded Turntrans-93.413176.167.7-34.2000113.5A399 G403 R408 T432 K433A399-N401 WeakPolarHBondContact CB-OD1 3.35Å; A399-N401 PolarHBondContact O-N 3.48Å; A399-N401 VanDerWaalsContact O-N 3.08Å; N401-G403 PolarHBondContact O-N 3.34Å; N401-G403 PolarHBondContact OD1-N 3.08Å; N401-R408 PolarHBondContact ND2-NH2 3.19Å; N401-R408 PolarHBondContact OD1-NH2 3.27Å; N401-R408 VanDerWaalsContact OD1-NH2 3.17Å; N401-T432 CarbonylContact O-C 3.57Å; N401-T432 WeakPolarHBondContact O-CA 3.24Å; N401-T432 WeakPolarHBondContact O-CB 3.48Å; N401-K433 PolarHBondContact O-N 3.04Å
402D89.7Confident91Very high50 Ų5029.7 Ų29.727%0.26717%0.166SC..SBendtrans57.817.3-168.3-64.3-56.1000113.5A399 L400 K433A399-D402 WeakPolarHBondContact O-CA 3.46Å; A399-D402 PolarHBondContact O-N 3.24Å; L400-D402 VanDerWaalsContact C-N 3.34Å; D402-K433 HydrophobicContact CB-CG 4.26Å; D402-K433 WeakPolarHBondContact OD2-CE 3.3Å; D402-K433 WeakPolarHBondContact OD2-CG 3.28Å
403G89.6Confident91Very high1 Ų130 Ų301%0.0116%0.162CC..  trans-70.8140.1172.200000111H374 A399 N401H374-G403 PolarHBondContact NE2-O 3.21Å; A399-G403 WeakPolarHBondContact CB-O 3.42Å; A399-G403 PolarHBondContact N-O 2.96Å; N401-G403 PolarHBondContact O-N 3.34Å; N401-G403 PolarHBondContact OD1-N 3.08Å
404T92.8Very high90.6Very high2 Ų230.7 Ų30.71%0.01217%0.166CC..  trans-102164.5177.159.80000111.3L406 M407 R408T404-L406 PolarHBondContact O-N 3.05Å; T404-M407 WeakPolarHBondContact O-CB 3.46Å; T404-M407 PolarHBondContact O-N 2.93Å; T404-R408 PolarHBondContact O-N 3.2Å
405P93.6Very high90.5Very high0 Ų030.2 Ų30.20%016%0.16CC..Hα-helixtrans-55.5-37.7174-26.234000113L373 H374 A377 V395 A397 M407 R408 A409L373-P405 HydrophobicContact CD2-CB 4.09Å; L373-P405 HydrophobicContact CD2-CG 3.92Å; L373-P405 HydrophobicContact CG-CB 3.93Å; L373-P405 HydrophobicContact CG-CG 4.06Å; H374-P405 WeakPolarHBondContact NE2-CD 3.4Å; A377-P405 HydrophobicContact CB-CB 4.29Å; A377-P405 WeakPolarHBondContact CB-O 3.42Å; V395-P405 WeakPolarHBondContact O-CD 3.39Å; A397-P405 WeakPolarHBondContact O-CD 3.49Å; P405-M407 VanDerWaalsContact C-N 3.33Å; P405-M407 PolarHBondContact O-N 3.18Å; P405-R408 WeakPolarHBondContact O-CB 3.49Å; P405-R408 PolarHBondContact O-N 3.45Å; P405-A409 PolarHBondContact O-N 3.46Å
406L92.5Very high90.3Very high1 Ų132.5 Ų32.51%0.00518%0.177CC..Hα-helixtrans-57.8-43.6174.9-179.265.3000112T404 R408 A409 I410 V418 L421 I422 A426 V428T404-L406 PolarHBondContact O-N 3.05Å; L406-R408 VanDerWaalsContact C-N 3.26Å; L406-R408 PolarHBondContact O-N 3.15Å; L406-A409 PolarHBondContact O-N 3.43Å; L406-I410 HydrophobicContact CG-CD1 4.27Å; L406-I410 WeakPolarHBondContact O-CG1 3.32Å; L406-I410 PolarHBondContact O-N 3.29Å; L406-V418 HydrophobicContact CD1-CB 4.48Å; L406-V418 HydrophobicContact CD1-CG1 3.99Å; L406-L421 HydrophobicContact CD1-CB 4.05Å; L406-I422 HydrophobicContact CD1-CD1 4.42Å; L406-I422 HydrophobicContact CD1-CG1 3.91Å; L406-I422 HydrophobicContact CD2-CG1 4.31Å; L406-A426 HydrophobicContact CB-CB 4.08Å; L406-A426 HydrophobicContact CD2-CB 3.92Å; L406-A426 HydrophobicContact CG-CB 4.39Å; L406-V428 HydrophobicContact CD2-CG2 4.32Å
407M91.4Very high90.3Very high1 Ų130.7 Ų30.71%0.00517%0.167CC..Hα-helixtrans-63.4-33.7177-68.1174.8171.900112T404 P405 I410 E411 S430 T432 C438T404-M407 WeakPolarHBondContact O-CB 3.46Å; T404-M407 PolarHBondContact O-N 2.93Å; P405-M407 VanDerWaalsContact C-N 3.33Å; P405-M407 PolarHBondContact O-N 3.18Å; M407-I410 PolarHBondContact O-N 3.22Å; M407-E411 WeakPolarHBondContact O-CG 3.44Å; M407-E411 PolarHBondContact O-N 3.41Å; M407-S430 VanDerWaalsContact CE-C 3.49Å; M407-S430 WeakPolarHBondContact CE-O 3.36Å; M407-T432 HydrophobicContact CE-CG2 4Å; M407-T432 HydrophobicContact SD-CG2 3.45Å; M407-T432 WeakPolarHBondContact SD-CG2 3.43Å; M407-C438 VanDerWaalsContact CE-SG 3.59Å; M407-C438 VanDerWaalsContact CG-SG 3.53Å
408R92.1Very high90.2Very high22 Ų2230.2 Ų30.28%0.08316%0.163CC..Hα-helixtrans-71.6-37.4176.1-59.4-55.9176.3-169.7-6.5112.9A377 N378 N401 T404 P405 L406 I410 E411 S412A377-R408 HydrophobicContact CB-CB 4.26Å; N378-R408 HydrophobicContact CB-CB 4.07Å; N401-R408 PolarHBondContact ND2-NH2 3.19Å; N401-R408 PolarHBondContact OD1-NH2 3.27Å; N401-R408 VanDerWaalsContact OD1-NH2 3.17Å; T404-R408 PolarHBondContact O-N 3.2Å; P405-R408 WeakPolarHBondContact O-CB 3.49Å; P405-R408 PolarHBondContact O-N 3.45Å; L406-R408 VanDerWaalsContact C-N 3.26Å; L406-R408 PolarHBondContact O-N 3.15Å; R408-I410 VanDerWaalsContact C-N 3.28Å; R408-I410 PolarHBondContact O-N 3.21Å; R408-E411 WeakPolarHBondContact CD-OE2 3.29Å; R408-E411 IonicContact CZ-OE1 2.81Å; R408-E411 IonicContact CZ-OE2 3.56Å; R408-E411 IonicContact NE-OE2 3.39Å; R408-E411 IonicContact NH1-OE1 2.91Å; R408-E411 PolarHBondContact NH1-OE1 3.36Å; R408-E411 IonicContact NH1-OE2 3.4Å; R408-E411 PolarHBondContact NH1-OE2 3.05Å; R408-E411 WeakPolarHBondContact O-CB 3.09Å; R408-E411 PolarHBondContact O-N 3.09Å; R408-S412 PolarHBondContact O-N 3.18Å
409A91.6Very high90.2Very high0 Ų028.2 Ų28.20%016%0.156CC..Hα-helixtrans-64.3-33.8172.200000112.5A377 P405 L406 S412 S413 S414 C417 V418 L421A377-A409 HydrophobicContact CB-CB 4.2Å; A377-A409 WeakPolarHBondContact O-CA 3.5Å; P405-A409 PolarHBondContact O-N 3.46Å; L406-A409 PolarHBondContact O-N 3.43Å; A409-S412 PolarHBondContact O-N 2.85Å; A409-S412 PolarHBondContact O-OG 3.37Å; A409-S413 PolarHBondContact O-N 3.31Å; A409-S414 PolarHBondContact O-N 2.95Å; A409-C417 HydrophobicContact CB-CB 3.96Å; A409-V418 HydrophobicContact CB-CG2 3.79Å; A409-L421 HydrophobicContact CB-CD1 3.8Å
410I90.3Very high90.3Very high2 Ų230.3 Ų30.31%0.0116%0.164CC..Hα-helixtrans-69.4-42.8172.7-64.4167.6000110.7L406 M407 R408 S412 S413 V418 C438 M441 A442 I450 V454L406-I410 HydrophobicContact CG-CD1 4.27Å; L406-I410 WeakPolarHBondContact O-CG1 3.32Å; L406-I410 PolarHBondContact O-N 3.29Å; M407-I410 PolarHBondContact O-N 3.22Å; R408-I410 VanDerWaalsContact C-N 3.28Å; R408-I410 PolarHBondContact O-N 3.21Å; I410-S412 PolarHBondContact O-N 2.95Å; I410-S413 PolarHBondContact O-N 3.32Å; I410-V418 HydrophobicContact CG1-CG1 4.45Å; I410-V418 HydrophobicContact CG1-CG2 3.78Å; I410-C438 HydrophobicContact CD1-CB 3.87Å; I410-M441 HydrophobicContact CG2-CB 4.23Å; I410-M441 HydrophobicContact CG2-CG 4.29Å; I410-A442 HydrophobicContact CG2-CB 3.98Å; I410-I450 HydrophobicContact CG1-CG2 4.08Å; I410-I450 HydrophobicContact CG2-CG2 4.3Å; I410-V454 HydrophobicContact CD1-CG2 4.31Å
411E89.3Confident90.3Very high48 Ų4826.5 Ų26.522%0.22414%0.144CC..Hα-helixtrans-61-31.8174.9-74.2172.6-171.900112.5M407 R408 S413 M441 F445M407-E411 WeakPolarHBondContact O-CG 3.44Å; M407-E411 PolarHBondContact O-N 3.41Å; R408-E411 WeakPolarHBondContact CD-OE2 3.29Å; R408-E411 IonicContact CZ-OE1 2.81Å; R408-E411 IonicContact CZ-OE2 3.56Å; R408-E411 IonicContact NE-OE2 3.39Å; R408-E411 IonicContact NH1-OE1 2.91Å; R408-E411 PolarHBondContact NH1-OE1 3.36Å; R408-E411 IonicContact NH1-OE2 3.4Å; R408-E411 PolarHBondContact NH1-OE2 3.05Å; R408-E411 WeakPolarHBondContact O-CB 3.09Å; R408-E411 PolarHBondContact O-N 3.09Å; E411-S413 VanDerWaalsContact C-N 3.3Å; E411-M441 HydrophobicContact CG-CG 4.27Å; E411-F445 HydrophobicContact CB-CE2 4.23Å; E411-F445 HydrophobicContact CB-CZ 4.25Å; E411-F445 HydrophobicContact CG-CD2 4.42Å; E411-F445 HydrophobicContact CG-CE2 3.62Å; E411-F445 HydrophobicContact CG-CZ 3.85Å
412S86.9Confident90.4Very high38 Ų3824.9 Ų24.927%0.26614%0.135SC..THydrogen-bonded Turntrans-84.90.7176.280.10000113.7A377 N378 R408 A409 I410 S414A377-S412 PolarHBondContact O-OG 3.24Å; N378-S412 VanDerWaalsContact O-CB 3.23Å; N378-S412 WeakPolarHBondContact O-CB 3.3Å; R408-S412 PolarHBondContact O-N 3.18Å; A409-S412 PolarHBondContact O-N 2.85Å; A409-S412 PolarHBondContact O-OG 3.37Å; I410-S412 PolarHBondContact O-N 2.95Å; S412-S414 PolarHBondContact O-N 3.33Å; S412-S414 VanDerWaalsContact O-N 3.16Å
413S86.5Confident90.5Very high52 Ų5227.6 Ų27.636%0.36415%0.15SC..THydrogen-bonded Turntrans49.834.8-175.2-57.70000114.5A409 I410 E411 F415A409-S413 PolarHBondContact O-N 3.31Å; I410-S413 PolarHBondContact O-N 3.32Å; E411-S413 VanDerWaalsContact C-N 3.3Å; S413-F415 PolarHBondContact O-N 3.16Å
414S85.8Confident90.4Very high23 Ų2329.5 Ų29.516%0.16116%0.163CC..  trans-95.494.9-178.9-176.90000110.9G380 A409 S412 S416 C417 V418G380-S414 PolarHBondContact O-OG 3.47Å; A409-S414 PolarHBondContact O-N 2.95Å; S412-S414 PolarHBondContact O-N 3.33Å; S412-S414 VanDerWaalsContact O-N 3.16Å; S414-S416 VanDerWaalsContact C-N 3.34Å; S414-S416 PolarHBondContact O-N 2.99Å; S414-C417 PolarHBondContact O-N 2.82Å; S414-C417 PolarHBondContact OG-SG 3.2Å; S414-V418 WeakPolarHBondContact O-CG2 3.38Å; S414-V418 PolarHBondContact O-N 3.38Å; S414-V418 VanDerWaalsContact O-N 3.07Å
415F88.3Confident90.1Very high71 Ų7131.6 Ų31.631%0.31119%0.185SC..Hα-helixtrans-52.6-49.4-177.8179.4-88.9000112.2S413 C417 V418 E419 I450 L453S413-F415 PolarHBondContact O-N 3.16Å; F415-C417 VanDerWaalsContact C-N 3.34Å; F415-C417 PolarHBondContact O-N 3.26Å; F415-V418 WeakPolarHBondContact O-CB 3.45Å; F415-V418 PolarHBondContact O-N 2.83Å; F415-V418 VanDerWaalsContact O-N 3.14Å; F415-E419 HydrophobicContact CE1-CB 4.45Å; F415-E419 PolarHBondContact O-N 3.13Å; F415-I450 HydrophobicContact CB-CG1 4.28Å; F415-I450 HydrophobicContact CD2-CG1 4.06Å; F415-L453 HydrophobicContact CE2-CB 4.27Å; F415-L453 HydrophobicContact CE2-CD2 3.91Å; F415-L453 HydrophobicContact CZ-CD2 4.1Å
416S91Very high89.9Confident60 Ų6032.1 Ų32.142%0.4219%0.19SC..Hα-helixtrans-63.9-37.8-176.6-41.60000112.6S414 F420S414-S416 VanDerWaalsContact C-N 3.34Å; S414-S416 PolarHBondContact O-N 2.99Å; S416-F420 WeakPolarHBondContact O-CB 3.46Å; S416-F420 PolarHBondContact O-N 3.32Å
417C90.7Very high89.7Confident0 Ų038.5 Ų38.50%022%0.217CC..Hα-helixtrans-66.3-40.9175.1-71.40000111.6G380 L382 A409 S414 F415 L421G380-C417 VanDerWaalsContact C-SG 3.51Å; G380-C417 PolarHBondContact O-SG 2.93Å; G380-C417 VanDerWaalsContact O-SG 3.4Å; L382-C417 VanDerWaalsContact CA-SG 3.57Å; L382-C417 PolarHBondContact N-SG 3.43Å; A409-C417 HydrophobicContact CB-CB 3.96Å; S414-C417 PolarHBondContact O-N 2.82Å; S414-C417 PolarHBondContact OG-SG 3.2Å; F415-C417 VanDerWaalsContact C-N 3.34Å; F415-C417 PolarHBondContact O-N 3.26Å; C417-L421 WeakPolarHBondContact O-CB 3.49Å; C417-L421 WeakPolarHBondContact O-CD1 3.42Å; C417-L421 WeakPolarHBondContact O-CG 3.37Å; C417-L421 PolarHBondContact O-N 3.03Å
418V91.2Very high89.4Confident0 Ų038.8 Ų38.80%022%0.219CC..Hα-helixtrans-63-48.1177.5172.50000110.5L406 A409 I410 S414 F415 L421 I422 I450 L453 V454L406-V418 HydrophobicContact CD1-CB 4.48Å; L406-V418 HydrophobicContact CD1-CG1 3.99Å; A409-V418 HydrophobicContact CB-CG2 3.79Å; I410-V418 HydrophobicContact CG1-CG1 4.45Å; I410-V418 HydrophobicContact CG1-CG2 3.78Å; S414-V418 WeakPolarHBondContact O-CG2 3.38Å; S414-V418 PolarHBondContact O-N 3.38Å; S414-V418 VanDerWaalsContact O-N 3.07Å; F415-V418 WeakPolarHBondContact O-CB 3.45Å; F415-V418 PolarHBondContact O-N 2.83Å; F415-V418 VanDerWaalsContact O-N 3.14Å; V418-L421 PolarHBondContact O-N 3.35Å; V418-I422 HydrophobicContact CG1-CD1 3.79Å; V418-I422 WeakPolarHBondContact O-CB 3.27Å; V418-I422 VanDerWaalsContact O-CG1 3.25Å; V418-I422 WeakPolarHBondContact O-CG1 3.32Å; V418-I422 PolarHBondContact O-N 3.12Å; V418-I450 HydrophobicContact CG1-CG2 4.32Å; V418-I450 HydrophobicContact CG2-CD1 4.39Å; V418-I450 HydrophobicContact CG2-CG1 4.45Å; V418-I450 HydrophobicContact CG2-CG2 4.44Å; V418-L453 HydrophobicContact CG1-CD2 4.18Å; V418-V454 HydrophobicContact CG1-CG2 4.31Å
419E91Very high88.9Confident83 Ų8342.9 Ų42.939%0.38824%0.235SC..Hα-helixtrans-58.7-48.9177.2-177.3175-148.900111.5F415 L421 I422 N423 L453F415-E419 HydrophobicContact CE1-CB 4.45Å; F415-E419 PolarHBondContact O-N 3.13Å; E419-L421 PolarHBondContact O-N 3.05Å; E419-I422 PolarHBondContact O-N 3.22Å; E419-N423 WeakPolarHBondContact O-CB 3.35Å; E419-N423 VanDerWaalsContact O-CG 3.28Å; E419-N423 PolarHBondContact O-N 2.93Å; E419-N423 PolarHBondContact O-ND2 2.98Å; E419-L453 HydrophobicContact CB-CD2 4.05Å
420F92.9Very high88.4Confident48 Ų4843.7 Ų43.721%0.21124%0.24CC..Hα-helixtrans-62-44.8179.3-178.4-95.1000112.6L382 V385 E386 V389 S416 I422 N423 S424L382-F420 HydrophobicContact CD1-CB 3.68Å; L382-F420 HydrophobicContact CD1-CG 4.03Å; V385-F420 HydrophobicContact CG1-CD1 3.74Å; V385-F420 HydrophobicContact CG1-CE1 4.04Å; E386-F420 HydrophobicContact CB-CE1 4.44Å; E386-F420 HydrophobicContact CB-CZ 4.14Å; E386-F420 HydrophobicContact CG-CD1 4.21Å; E386-F420 HydrophobicContact CG-CD2 3.95Å; E386-F420 HydrophobicContact CG-CE1 3.9Å; E386-F420 HydrophobicContact CG-CE2 3.65Å; E386-F420 HydrophobicContact CG-CG 4.23Å; E386-F420 HydrophobicContact CG-CZ 3.63Å; V389-F420 HydrophobicContact CB-CE1 4.1Å; V389-F420 HydrophobicContact CB-CZ 4.47Å; V389-F420 HydrophobicContact CG1-CE1 4.34Å; V389-F420 HydrophobicContact CG1-CZ 4.48Å; V389-F420 HydrophobicContact CG2-CE1 4.06Å; S416-F420 WeakPolarHBondContact O-CB 3.46Å; S416-F420 PolarHBondContact O-N 3.32Å; F420-I422 PolarHBondContact O-N 3.18Å; F420-N423 PolarHBondContact O-N 2.91Å; F420-S424 WeakPolarHBondContact CE1-OG 3.15Å; F420-S424 VanDerWaalsContact O-CB 3.31Å; F420-S424 WeakPolarHBondContact O-CB 3.39Å; F420-S424 PolarHBondContact O-N 2.84Å; F420-S424 PolarHBondContact O-OG 3.14Å
421L91.4Very high88.2Confident0 Ų049.8 Ų49.80%027%0.269CS..Hα-helixtrans-65.1-38.5179.1-73169.5000111.9L373 A377 V385 V395 L406 A409 C417 V418 E419 S424 G425 A426L373-L421 HydrophobicContact CD1-CD2 4.42Å; L373-L421 HydrophobicContact CD2-CD2 4.45Å; A377-L421 HydrophobicContact CB-CD1 4.31Å; V385-L421 HydrophobicContact CG1-CD2 3.9Å; V385-L421 HydrophobicContact CG1-CG 4.2Å; V395-L421 HydrophobicContact CG1-CD2 4Å; L406-L421 HydrophobicContact CD1-CB 4.05Å; A409-L421 HydrophobicContact CB-CD1 3.8Å; C417-L421 WeakPolarHBondContact O-CB 3.49Å; C417-L421 WeakPolarHBondContact O-CD1 3.42Å; C417-L421 WeakPolarHBondContact O-CG 3.37Å; C417-L421 PolarHBondContact O-N 3.03Å; V418-L421 PolarHBondContact O-N 3.35Å; E419-L421 PolarHBondContact O-N 3.05Å; L421-S424 CarbonylContact O-C 3.59Å; L421-S424 PolarHBondContact O-N 3.49Å; L421-G425 PolarHBondContact O-N 3.26Å; L421-A426 HydrophobicContact CB-CB 4.29Å; L421-A426 WeakPolarHBondContact O-CB 2.92Å; L421-A426 PolarHBondContact O-N 2.98Å
422I90.3Very high88.1Confident20 Ų2048 Ų4810%0.10326%0.262CS..Hα-helixtrans-63.7-47.1174.3-70.4170000110.4L406 V418 E419 F420 S424 G425 V428 L453 V454 K457L406-I422 HydrophobicContact CD1-CD1 4.42Å; L406-I422 HydrophobicContact CD1-CG1 3.91Å; L406-I422 HydrophobicContact CD2-CG1 4.31Å; V418-I422 HydrophobicContact CG1-CD1 3.79Å; V418-I422 WeakPolarHBondContact O-CB 3.27Å; V418-I422 VanDerWaalsContact O-CG1 3.25Å; V418-I422 WeakPolarHBondContact O-CG1 3.32Å; V418-I422 PolarHBondContact O-N 3.12Å; E419-I422 PolarHBondContact O-N 3.22Å; F420-I422 PolarHBondContact O-N 3.18Å; I422-S424 PolarHBondContact O-N 3.49Å; I422-G425 PolarHBondContact O-N 3.36Å; I422-V428 HydrophobicContact CG1-CG2 4.39Å; I422-L453 HydrophobicContact CD1-CD2 4.33Å; I422-L453 HydrophobicContact CD1-CG 4.44Å; I422-V454 HydrophobicContact CD1-CG2 4.46Å; I422-K457 HydrophobicContact CG2-CD 4.05Å; I422-K457 HydrophobicContact CG2-CG 3.99Å
423N90.6Very high88Confident107 Ų10752.8 Ų52.857%0.57228%0.277SS*.Hα-helixtrans-63-29.7177.3-70.2-21.7000112.1E419 F420 G425E419-N423 WeakPolarHBondContact O-CB 3.35Å; E419-N423 VanDerWaalsContact O-CG 3.28Å; E419-N423 PolarHBondContact O-N 2.93Å; E419-N423 PolarHBondContact O-ND2 2.98Å; F420-N423 PolarHBondContact O-N 2.91Å; N423-G425 PolarHBondContact O-N 3.26Å
424S89.1Confident87.8Confident42 Ų4259.2 Ų59.229%0.29430%0.299SS..THydrogen-bonded Turntrans-80.35.6174.8-57.70000114.2F420 L421 I422F420-S424 WeakPolarHBondContact CE1-OG 3.15Å; F420-S424 VanDerWaalsContact O-CB 3.31Å; F420-S424 WeakPolarHBondContact O-CB 3.39Å; F420-S424 PolarHBondContact O-N 2.84Å; F420-S424 PolarHBondContact O-OG 3.14Å; L421-S424 CarbonylContact O-C 3.59Å; L421-S424 PolarHBondContact O-N 3.49Å; I422-S424 PolarHBondContact O-N 3.49Å
425G86.7Confident87.8Confident46 Ų4660.1 Ų60.147%0.47431%0.312SS..THydrogen-bonded Turntrans90.726.2173.900000115.5N396 L421 I422 N423N396-G425 PolarHBondContact ND2-O 3.16Å; L421-G425 PolarHBondContact O-N 3.26Å; I422-G425 PolarHBondContact O-N 3.36Å; N423-G425 PolarHBondContact O-N 3.26Å
426A89.3Confident87.7Confident11 Ų1158.8 Ų58.89%0.09131%0.309CS..  trans-64.7135.6172.400000112.4V395 L406 L421 V428V395-A426 HydrophobicContact CG1-CB 3.72Å; L406-A426 HydrophobicContact CB-CB 4.08Å; L406-A426 HydrophobicContact CD2-CB 3.92Å; L406-A426 HydrophobicContact CG-CB 4.39Å; L421-A426 HydrophobicContact CB-CB 4.29Å; L421-A426 WeakPolarHBondContact O-CB 2.92Å; L421-A426 PolarHBondContact O-N 2.98Å; A426-V428 PolarHBondContact O-N 3.35Å
427K87.6Confident87.5Confident135 Ų13558 Ų5859%0.58730%0.302SS*.  trans-77.5105.3177.6-70.2172.3-175.2171.40110.9N396 Y429 S430N396-K427 WeakPolarHBondContact OD1-CB 3.43Å; N396-K427 WeakPolarHBondContact OD1-CG 3.25Å; N396-K427 PolarHBondContact OD1-N 2.92Å; K427-Y429 VanDerWaalsContact C-N 3.34Å; K427-Y429 PolarHBondContact O-N 2.74Å; K427-S430 WeakPolarHBondContact CB-OG 3.33Å; K427-S430 WeakPolarHBondContact O-CB 3.49Å; K427-S430 PolarHBondContact O-N 3.29Å; K427-S430 PolarHBondContact O-OG 3.29Å
428V84.4Confident87.3Confident6 Ų658 Ų584%0.03630%0.302CS..THydrogen-bonded Turntrans-68.7-29-178.9-169.50000113.1L406 I422 A426 S430 C438 V454 V458L406-V428 HydrophobicContact CD2-CG2 4.32Å; I422-V428 HydrophobicContact CG1-CG2 4.39Å; A426-V428 PolarHBondContact O-N 3.35Å; V428-S430 PolarHBondContact O-N 2.94Å; V428-C438 HydrophobicContact CG1-CB 4.49Å; V428-C438 WeakPolarHBondContact O-CB 3.28Å; V428-C438 PolarHBondContact O-SG 3.04Å; V428-C438 VanDerWaalsContact O-SG 3.39Å; V428-V454 HydrophobicContact CG1-CG1 3.74Å; V428-V458 HydrophobicContact CB-CG2 4.48Å; V428-V458 HydrophobicContact CG1-CG2 3.61Å
429Y82.5Confident87Confident109 Ų10958.9 Ų58.943%0.42731%0.307SS..THydrogen-bonded Turntrans-84.215179-51.8-78000114.4K427 V458 L461K427-Y429 VanDerWaalsContact C-N 3.34Å; K427-Y429 PolarHBondContact O-N 2.74Å; Y429-V458 HydrophobicContact CE1-CB 4.41Å; Y429-V458 HydrophobicContact CE1-CG1 3.99Å; Y429-V458 HydrophobicContact CE1-CG2 4.16Å; Y429-V458 PolarHBondContact OH-O 2.6Å; Y429-L461 HydrophobicContact CE2-CB 4.17Å; Y429-L461 HydrophobicContact CE2-CD1 4.25Å; Y429-L461 VanDerWaalsContact OH-CB 3.26Å; Y429-L461 WeakPolarHBondContact OH-CB 3.31Å; Y429-L461 PolarHBondContact OH-O 2.91Å
430S81.8Confident86.9Confident16 Ų1658.1 Ų58.111%0.11231%0.305CS..  trans-68.7140.3178.2-56.40000109.7M407 K427 V428M407-S430 VanDerWaalsContact CE-C 3.49Å; M407-S430 WeakPolarHBondContact CE-O 3.36Å; K427-S430 WeakPolarHBondContact CB-OG 3.33Å; K427-S430 WeakPolarHBondContact O-CB 3.49Å; K427-S430 PolarHBondContact O-N 3.29Å; K427-S430 PolarHBondContact O-OG 3.29Å; V428-S430 PolarHBondContact O-N 2.94Å
431E85.8Confident86.5Confident131 Ų13157 Ų5761%0.61230%0.301SS*.BIsolated β-bridgetrans-115.4139.4176.863.1-178.5174.500110.5
432T87.3Confident86.3Confident11 Ų1157.1 Ų57.17%0.06730%0.302CS..  trans-75.2169.9170.462.30000110.9N401 M407 K434 G435 V436N401-T432 CarbonylContact O-C 3.57Å; N401-T432 WeakPolarHBondContact O-CA 3.24Å; N401-T432 WeakPolarHBondContact O-CB 3.48Å; M407-T432 HydrophobicContact CE-CG2 4Å; M407-T432 HydrophobicContact SD-CG2 3.45Å; M407-T432 WeakPolarHBondContact SD-CG2 3.43Å; T432-K434 PolarHBondContact O-N 3.41Å; T432-K434 PolarHBondContact OG1-N 2.9Å; T432-G435 PolarHBondContact O-N 3.15Å; T432-V436 PolarHBondContact N-O 3.32Å; T432-V436 VanDerWaalsContact N-O 3.08Å; T432-V436 WeakPolarHBondContact OG1-CB 3.44Å; T432-V436 PolarHBondContact OG1-N 3.32Å; T432-V436 PolarHBondContact OG1-O 3.02Å
433K83.5Confident86.1Confident137 Ų13761.9 Ų61.960%0.59632%0.319SS*.THydrogen-bonded Turntrans-55.1-20.5172-71.5-173.1177174.10114.8L400 N401 D402 G435L400-K433 WeakPolarHBondContact O-CD 3.43Å; L400-K433 WeakPolarHBondContact O-CE 3.45Å; L400-K433 PolarHBondContact O-NZ 3.03Å; N401-K433 PolarHBondContact O-N 3.04Å; D402-K433 HydrophobicContact CB-CG 4.26Å; D402-K433 WeakPolarHBondContact OD2-CE 3.3Å; D402-K433 WeakPolarHBondContact OD2-CG 3.28Å; K433-G435 VanDerWaalsContact C-N 3.33Å
434K84Confident85.8Confident188 Ų18863.9 Ų63.982%0.81732%0.324SS*.THydrogen-bonded Turntrans-890.7177.1-65.3-178.2179.5177.60112.8T432 V436T432-K434 PolarHBondContact O-N 3.41Å; T432-K434 PolarHBondContact OG1-N 2.9Å; K434-V436 VanDerWaalsContact C-N 3.26Å; K434-V436 HydrophobicContact CB-CG2 4.02Å; K434-V436 PolarHBondContact O-N 3.08Å
435G84.4Confident85.4Confident42 Ų4266 Ų6643%0.43333%0.329SS..  trans73.215.4-174.300000113.8T432 K433T432-G435 PolarHBondContact O-N 3.15Å; K433-G435 VanDerWaalsContact C-N 3.33Å
436V85.4Confident84.3Confident42 Ų4266.5 Ų66.526%0.25533%0.334SS..  trans-81.7123.9177.9-177.10000108.7T432 K434 D440 M441T432-V436 PolarHBondContact N-O 3.32Å; T432-V436 VanDerWaalsContact N-O 3.08Å; T432-V436 WeakPolarHBondContact OG1-CB 3.44Å; T432-V436 PolarHBondContact OG1-N 3.32Å; T432-V436 PolarHBondContact OG1-O 3.02Å; K434-V436 VanDerWaalsContact C-N 3.26Å; K434-V436 HydrophobicContact CB-CG2 4.02Å; K434-V436 PolarHBondContact O-N 3.08Å; V436-D440 HydrophobicContact CG1-CB 3.97Å; V436-M441 HydrophobicContact CB-CE 4.31Å; V436-M441 HydrophobicContact CG1-CB 4.42Å; V436-M441 HydrophobicContact CG1-CE 3.64Å; V436-M441 HydrophobicContact CG1-SD 4.11Å
437T88.6Confident83.5Confident43 Ų4369 Ų6926%0.26434%0.343SS..BIsolated β-bridgetrans-85.1159.5175.8-39.90000110.6L439 D440 M441T437-L439 PolarHBondContact O-N 3.35Å; T437-D440 VanDerWaalsContact CB-OD2 3.23Å; T437-D440 WeakPolarHBondContact CB-OD2 3.46Å; T437-D440 PolarHBondContact N-OD2 3.4Å; T437-D440 PolarHBondContact O-N 3.17Å; T437-D440 VanDerWaalsContact O-N 3.12Å; T437-D440 PolarHBondContact OG1-OD2 3.24Å; T437-M441 PolarHBondContact O-N 2.72Å
438C85.2Confident83.1Confident0 Ų067.7 Ų67.70%035%0.347CS..Hα-helixtrans-52.1-39.8172.4-63.90000113M407 I410 V428 M441 A442M407-C438 VanDerWaalsContact CE-SG 3.59Å; M407-C438 VanDerWaalsContact CG-SG 3.53Å; I410-C438 HydrophobicContact CD1-CB 3.87Å; V428-C438 HydrophobicContact CG1-CB 4.49Å; V428-C438 WeakPolarHBondContact O-CB 3.28Å; V428-C438 PolarHBondContact O-SG 3.04Å; V428-C438 VanDerWaalsContact O-SG 3.39Å; C438-M441 WeakPolarHBondContact O-CB 3.47Å; C438-M441 PolarHBondContact O-N 3.01Å; C438-A442 PolarHBondContact O-N 3.03Å
439L86.3Confident83.1Confident20 Ų2070 Ų7011%0.10536%0.363CS..Hα-helixtrans-66-42.1177.7-178.565.3000112.6T437 M441 A442 R443 E451 V454 Q455T437-L439 PolarHBondContact O-N 3.35Å; L439-M441 VanDerWaalsContact C-N 3.26Å; L439-M441 PolarHBondContact O-N 2.92Å; L439-A442 PolarHBondContact O-N 3.16Å; L439-R443 PolarHBondContact O-N 2.56Å; L439-E451 HydrophobicContact CD1-CG 4.21Å; L439-V454 HydrophobicContact CB-CG1 4.19Å; L439-V454 HydrophobicContact CD1-CG1 4.17Å; L439-Q455 HydrophobicContact CD1-CB 4.2Å; L439-Q455 VanDerWaalsContact CD2-OE1 3.25Å
440D87.2Confident83.1Confident66 Ų6665 Ų6535%0.35334%0.344SS..Hα-helixtrans-65.6-35176.7-57-43.5000110.9V436 T437 R443 H444V436-D440 HydrophobicContact CG1-CB 3.97Å; T437-D440 VanDerWaalsContact CB-OD2 3.23Å; T437-D440 WeakPolarHBondContact CB-OD2 3.46Å; T437-D440 PolarHBondContact N-OD2 3.4Å; T437-D440 PolarHBondContact O-N 3.17Å; T437-D440 VanDerWaalsContact O-N 3.12Å; T437-D440 PolarHBondContact OG1-OD2 3.24Å; D440-R443 IonicContact OD1-NH1 2.97Å; D440-H444 PolarHBondContact O-N 3.35Å; D440-H444 VanDerWaalsContact O-N 3.12Å
441M85Confident83.3Confident24 Ų2467 Ų6712%0.11835%0.351CS..Hα-helixtrans-65.1-47173.3-154.368.281.600111.2I410 E411 V436 T437 C438 L439 R443 H444 F445I410-M441 HydrophobicContact CG2-CB 4.23Å; I410-M441 HydrophobicContact CG2-CG 4.29Å; E411-M441 HydrophobicContact CG-CG 4.27Å; V436-M441 HydrophobicContact CB-CE 4.31Å; V436-M441 HydrophobicContact CG1-CB 4.42Å; V436-M441 HydrophobicContact CG1-CE 3.64Å; V436-M441 HydrophobicContact CG1-SD 4.11Å; T437-M441 PolarHBondContact O-N 2.72Å; C438-M441 WeakPolarHBondContact O-CB 3.47Å; C438-M441 PolarHBondContact O-N 3.01Å; L439-M441 VanDerWaalsContact C-N 3.26Å; L439-M441 PolarHBondContact O-N 2.92Å; M441-R443 VanDerWaalsContact C-N 3.32Å; M441-R443 PolarHBondContact O-N 2.86Å; M441-H444 WeakPolarHBondContact O-CB 3.36Å; M441-H444 PolarHBondContact O-N 3.19Å; M441-F445 HydrophobicContact CG-CD2 3.87Å; M441-F445 HydrophobicContact CG-CE2 3.68Å; M441-F445 VanDerWaalsContact O-CD2 3.24Å; M441-F445 WeakPolarHBondContact O-CD2 3.38Å; M441-F445 PolarHBondContact O-N 3.45Å; M441-F445 VanDerWaalsContact O-N 3.08Å; M441-F445 HydrophobicContact SD-CD2 4.28Å; M441-F445 HydrophobicContact SD-CE2 3.6Å
442A86.8Confident83.2Confident3 Ų364.1 Ų64.13%0.02535%0.346CS..Hα-helixtrans-57.5-43.7177.700000112I410 C438 L439 H444 F445 G446 I450 E451I410-A442 HydrophobicContact CG2-CB 3.98Å; C438-A442 PolarHBondContact O-N 3.03Å; L439-A442 PolarHBondContact O-N 3.16Å; A442-H444 VanDerWaalsContact C-N 3.32Å; A442-H444 PolarHBondContact O-N 3.36Å; A442-F445 PolarHBondContact O-N 3.22Å; A442-G446 PolarHBondContact O-N 3.33Å; A442-I450 HydrophobicContact CB-CG2 4.08Å; A442-E451 HydrophobicContact CB-CB 4.44Å
443R86.1Confident83Confident120 Ų12064.5 Ų64.545%0.45335%0.347SS..Hα-helixtrans-60.8-38.7174.1-74.8178.8-171.9142.50.3113.4L439 D440 M441 E451L439-R443 PolarHBondContact O-N 2.56Å; D440-R443 IonicContact OD1-NH1 2.97Å; M441-R443 VanDerWaalsContact C-N 3.32Å; M441-R443 PolarHBondContact O-N 2.86Å; R443-E451 HydrophobicContact CG-CG 4.33Å; R443-E451 WeakPolarHBondContact CG-OE1 3.5Å; R443-E451 IonicContact NE-OE1 3.49Å; R443-E451 PolarHBondContact NE-OE1 3.42Å; R443-E451 VanDerWaalsContact NE-OE1 3.09Å
444H84.7Confident83Confident149 Ų14958 Ų5869%0.6932%0.319SS*.Hα-helixtrans-69.1-36.1-179.1-174.7-79.5000112.2D440 M441 A442D440-H444 PolarHBondContact O-N 3.35Å; D440-H444 VanDerWaalsContact O-N 3.12Å; M441-H444 WeakPolarHBondContact O-CB 3.36Å; M441-H444 PolarHBondContact O-N 3.19Å; A442-H444 VanDerWaalsContact C-N 3.32Å; A442-H444 PolarHBondContact O-N 3.36Å
445F80.8Confident82.9Confident88 Ų8851.5 Ų51.539%0.38629%0.292SS..Hα-helixtrans-88.1-8.9179.2-69.7-77.4000113.9E411 M441 A442 E447E411-F445 HydrophobicContact CB-CE2 4.23Å; E411-F445 HydrophobicContact CB-CZ 4.25Å; E411-F445 HydrophobicContact CG-CD2 4.42Å; E411-F445 HydrophobicContact CG-CE2 3.62Å; E411-F445 HydrophobicContact CG-CZ 3.85Å; M441-F445 HydrophobicContact CG-CD2 3.87Å; M441-F445 HydrophobicContact CG-CE2 3.68Å; M441-F445 VanDerWaalsContact O-CD2 3.24Å; M441-F445 WeakPolarHBondContact O-CD2 3.38Å; M441-F445 PolarHBondContact O-N 3.45Å; M441-F445 VanDerWaalsContact O-N 3.08Å; M441-F445 HydrophobicContact SD-CD2 4.28Å; M441-F445 HydrophobicContact SD-CE2 3.6Å; A442-F445 PolarHBondContact O-N 3.22Å; F445-E447 PolarHBondContact O-N 3.06Å
446G63.6Low82.9Confident56 Ų5655.4 Ų55.458%0.57730%0.298SS*.THydrogen-bonded Turntrans77.319.4158.300000116A442A442-G446 PolarHBondContact O-N 3.33Å
447E73.6Confident82.6Confident63 Ų6356.7 Ų56.729%0.29430%0.3SS..  trans-95.6105.6177.1-144.9-94.9173.100108.9F445 S449 I450 E451F445-E447 PolarHBondContact O-N 3.06Å; E447-S449 PolarHBondContact O-N 2.7Å; E447-S449 WeakPolarHBondContact OE2-CB 3.13Å; E447-I450 HydrophobicContact CB-CB 4.46Å; E447-I450 HydrophobicContact CB-CD1 4.21Å; E447-I450 HydrophobicContact CG-CD1 4.32Å; E447-I450 PolarHBondContact O-N 2.91Å; E447-I450 WeakPolarHBondContact OE2-CB 3.23Å; E447-I450 WeakPolarHBondContact OE2-CD1 3.25Å; E447-I450 WeakPolarHBondContact OE2-CG1 3.31Å; E447-I450 PolarHBondContact OE2-N 3.12Å; E447-E451 PolarHBondContact O-N 3.39Å
448T79.3Confident82.1Confident108 Ų10856 Ų5666%0.66330%0.297SS*.Hα-helixtrans-64.6-27-170.849.80000112.9S452T448-S452 WeakPolarHBondContact O-CB 3.13Å; T448-S452 PolarHBondContact O-N 2.93Å; T448-S452 PolarHBondContact O-OG 3.5Å
449S82.8Confident81.5Confident55 Ų5561.5 Ų61.539%0.38533%0.326SS..Hα-helixtrans-74.6-41.8178-70.10000112.5E447 S452 L453E447-S449 PolarHBondContact O-N 2.7Å; E447-S449 WeakPolarHBondContact OE2-CB 3.13Å; S449-S452 PolarHBondContact O-OG 3.42Å; S449-L453 WeakPolarHBondContact O-CB 3.34Å; S449-L453 PolarHBondContact O-N 2.85Å; S449-L453 VanDerWaalsContact O-N 3.09Å
450I83.8Confident80.8Confident2 Ų264 Ų641%0.0135%0.349CS..Hα-helixtrans-67.5-40.1172.1-72.5162.7000110.5I410 F415 V418 A442 E447 L453 V454I410-I450 HydrophobicContact CG1-CG2 4.08Å; I410-I450 HydrophobicContact CG2-CG2 4.3Å; F415-I450 HydrophobicContact CB-CG1 4.28Å; F415-I450 HydrophobicContact CD2-CG1 4.06Å; V418-I450 HydrophobicContact CG1-CG2 4.32Å; V418-I450 HydrophobicContact CG2-CD1 4.39Å; V418-I450 HydrophobicContact CG2-CG1 4.45Å; V418-I450 HydrophobicContact CG2-CG2 4.44Å; A442-I450 HydrophobicContact CB-CG2 4.08Å; E447-I450 HydrophobicContact CB-CB 4.46Å; E447-I450 HydrophobicContact CB-CD1 4.21Å; E447-I450 HydrophobicContact CG-CD1 4.32Å; E447-I450 PolarHBondContact O-N 2.91Å; E447-I450 WeakPolarHBondContact OE2-CB 3.23Å; E447-I450 WeakPolarHBondContact OE2-CD1 3.25Å; E447-I450 WeakPolarHBondContact OE2-CG1 3.31Å; E447-I450 PolarHBondContact OE2-N 3.12Å; I450-L453 PolarHBondContact O-N 3.31Å; I450-V454 HydrophobicContact CG2-CG2 4.15Å; I450-V454 WeakPolarHBondContact O-CB 3.43Å; I450-V454 VanDerWaalsContact O-CG2 3.22Å; I450-V454 WeakPolarHBondContact O-CG2 3.44Å; I450-V454 PolarHBondContact O-N 3.25Å
451E84.6Confident79.5Confident59 Ų5965.4 Ų65.428%0.27636%0.356SS..Hα-helixtrans-60.1-48.2176.1-176.5178.2-172.800111.4L439 A442 R443 E447 L453 V454 Q455L439-E451 HydrophobicContact CD1-CG 4.21Å; A442-E451 HydrophobicContact CB-CB 4.44Å; R443-E451 HydrophobicContact CG-CG 4.33Å; R443-E451 WeakPolarHBondContact CG-OE1 3.5Å; R443-E451 IonicContact NE-OE1 3.49Å; R443-E451 PolarHBondContact NE-OE1 3.42Å; R443-E451 VanDerWaalsContact NE-OE1 3.09Å; E447-E451 PolarHBondContact O-N 3.39Å; E451-L453 PolarHBondContact O-N 3.34Å; E451-V454 PolarHBondContact O-N 3.16Å; E451-Q455 WeakPolarHBondContact O-CB 3.39Å; E451-Q455 PolarHBondContact O-N 3.29Å
452S84.2Confident77.6Confident70 Ų7070 Ų7049%0.4939%0.388SS..Hα-helixtrans-63.4-42.1-179.667.60000111.8T448 S449 Q455 E456T448-S452 WeakPolarHBondContact O-CB 3.13Å; T448-S452 PolarHBondContact O-N 2.93Å; T448-S452 PolarHBondContact O-OG 3.5Å; S449-S452 PolarHBondContact O-OG 3.42Å; S452-Q455 PolarHBondContact O-N 3.3Å; S452-E456 VanDerWaalsContact O-CB 3.29Å; S452-E456 WeakPolarHBondContact O-CB 3.41Å; S452-E456 PolarHBondContact O-N 3.29Å
453L83.6Confident75.5Confident19 Ų1976.5 Ų76.510%0.09942%0.422CS..Hα-helixtrans-62.8-47.9176.5-178.369.7000112.1F415 V418 E419 I422 S449 I450 E451 Q455 E456 K457F415-L453 HydrophobicContact CE2-CB 4.27Å; F415-L453 HydrophobicContact CE2-CD2 3.91Å; F415-L453 HydrophobicContact CZ-CD2 4.1Å; V418-L453 HydrophobicContact CG1-CD2 4.18Å; E419-L453 HydrophobicContact CB-CD2 4.05Å; I422-L453 HydrophobicContact CD1-CD2 4.33Å; I422-L453 HydrophobicContact CD1-CG 4.44Å; S449-L453 WeakPolarHBondContact O-CB 3.34Å; S449-L453 PolarHBondContact O-N 2.85Å; S449-L453 VanDerWaalsContact O-N 3.09Å; I450-L453 PolarHBondContact O-N 3.31Å; E451-L453 PolarHBondContact O-N 3.34Å; L453-Q455 VanDerWaalsContact C-N 3.35Å; L453-E456 PolarHBondContact O-N 3.03Å; L453-K457 VanDerWaalsContact O-CG 3.32Å; L453-K457 WeakPolarHBondContact O-CG 3.42Å; L453-K457 PolarHBondContact O-N 3.37Å; L453-K457 VanDerWaalsContact O-N 3.08Å
454V82.3Confident73.5Confident0 Ų076 Ų760%043%0.434CS..Hα-helixtrans-64.8-42.2178.7172.10000110.2I410 V418 I422 V428 L439 I450 E451 K457 V458I410-V454 HydrophobicContact CD1-CG2 4.31Å; V418-V454 HydrophobicContact CG1-CG2 4.31Å; I422-V454 HydrophobicContact CD1-CG2 4.46Å; V428-V454 HydrophobicContact CG1-CG1 3.74Å; L439-V454 HydrophobicContact CB-CG1 4.19Å; L439-V454 HydrophobicContact CD1-CG1 4.17Å; I450-V454 HydrophobicContact CG2-CG2 4.15Å; I450-V454 WeakPolarHBondContact O-CB 3.43Å; I450-V454 VanDerWaalsContact O-CG2 3.22Å; I450-V454 WeakPolarHBondContact O-CG2 3.44Å; I450-V454 PolarHBondContact O-N 3.25Å; E451-V454 PolarHBondContact O-N 3.16Å; V454-K457 PolarHBondContact O-N 3.4Å; V454-V458 HydrophobicContact CG1-CG2 4.41Å; V454-V458 WeakPolarHBondContact O-CB 3.37Å; V454-V458 WeakPolarHBondContact O-CG2 3.27Å; V454-V458 PolarHBondContact O-N 3.37Å
455Q83.4Confident71.5Confident53 Ų5377.7 Ų77.725%0.24844%0.44CS..Hα-helixtrans-65.2-41.7177.7-174.264.16900112.1L439 E451 S452 L453 K457 V458 N459L439-Q455 HydrophobicContact CD1-CB 4.2Å; L439-Q455 VanDerWaalsContact CD2-OE1 3.25Å; E451-Q455 WeakPolarHBondContact O-CB 3.39Å; E451-Q455 PolarHBondContact O-N 3.29Å; S452-Q455 PolarHBondContact O-N 3.3Å; L453-Q455 VanDerWaalsContact C-N 3.35Å; Q455-K457 PolarHBondContact O-N 2.91Å; Q455-V458 PolarHBondContact O-N 3.35Å; Q455-N459 PolarHBondContact NE2-OD1 3.32Å; Q455-N459 WeakPolarHBondContact O-CB 3.43Å; Q455-N459 PolarHBondContact O-N 3.43Å; Q455-N459 PolarHBondContact O-ND2 3.39Å; Q455-N459 PolarHBondContact O-OD1 3.19Å
456E83.3Confident69.3Low123 Ų12383.3 Ų83.358%0.57546%0.464SS*.Hα-helixtrans-59.1-47.1175.3-174.3-173.8166.500110.8S452 L453 N459 A460S452-E456 VanDerWaalsContact O-CB 3.29Å; S452-E456 WeakPolarHBondContact O-CB 3.41Å; S452-E456 PolarHBondContact O-N 3.29Å; L453-E456 PolarHBondContact O-N 3.03Å; E456-N459 PolarHBondContact O-N 2.87Å; E456-A460 WeakPolarHBondContact O-CB 3.26Å; E456-A460 PolarHBondContact O-N 3.16Å
457K79.1Confident67.7Low69 Ų6985 Ų8530%0.347%0.472SS..Hα-helixtrans-70.8-32.5-179.9-65.5-72.8-175.6-177.50112.8I422 L453 V454 Q455 N459 A460 L461I422-K457 HydrophobicContact CG2-CD 4.05Å; I422-K457 HydrophobicContact CG2-CG 3.99Å; L453-K457 VanDerWaalsContact O-CG 3.32Å; L453-K457 WeakPolarHBondContact O-CG 3.42Å; L453-K457 PolarHBondContact O-N 3.37Å; L453-K457 VanDerWaalsContact O-N 3.08Å; V454-K457 PolarHBondContact O-N 3.4Å; Q455-K457 PolarHBondContact O-N 2.91Å; K457-N459 VanDerWaalsContact C-N 3.31Å; K457-A460 PolarHBondContact O-N 3.11Å; K457-L461 PolarHBondContact O-N 3.1Å
458V77.8Confident65.5Low30 Ų3091.2 Ų91.218%0.18250%0.498CS..Hα-helixtrans-63.5-37.5169.9162.70000111.4V428 Y429 V454 Q455V428-V458 HydrophobicContact CB-CG2 4.48Å; V428-V458 HydrophobicContact CG1-CG2 3.61Å; Y429-V458 HydrophobicContact CE1-CB 4.41Å; Y429-V458 HydrophobicContact CE1-CG1 3.99Å; Y429-V458 HydrophobicContact CE1-CG2 4.16Å; Y429-V458 PolarHBondContact OH-O 2.6Å; V454-V458 HydrophobicContact CG1-CG2 4.41Å; V454-V458 WeakPolarHBondContact O-CB 3.37Å; V454-V458 WeakPolarHBondContact O-CG2 3.27Å; V454-V458 PolarHBondContact O-N 3.37Å; Q455-V458 PolarHBondContact O-N 3.35Å
459N74.5Confident63.2Low115 Ų11592 Ų9262%0.61551%0.506SS*.Hα-helixtrans-78.5-30.6178.6-66-18000112.6Q455 E456 K457 L461Q455-N459 PolarHBondContact NE2-OD1 3.32Å; Q455-N459 WeakPolarHBondContact O-CB 3.43Å; Q455-N459 PolarHBondContact O-N 3.43Å; Q455-N459 PolarHBondContact O-ND2 3.39Å; Q455-N459 PolarHBondContact O-OD1 3.19Å; E456-N459 PolarHBondContact O-N 2.87Å; K457-N459 VanDerWaalsContact C-N 3.31Å; N459-L461 VanDerWaalsContact C-N 3.28Å; N459-L461 PolarHBondContact O-N 3.43Å
460A71.1Confident60.6Low71 Ų7199 Ų9959%0.58753%0.529SS*.Hα-helixtrans-71.6-18.1179.300000113.9E456 K457E456-A460 WeakPolarHBondContact O-CB 3.26Å; E456-A460 PolarHBondContact O-N 3.16Å; K457-A460 PolarHBondContact O-N 3.11Å
461L59.3Low57.9Low96 Ų96104.7 Ų104.750%0.50357%0.566SS.*SBendtrans-108.9113.6179.9-75.9161.7000110Y429 K457 N459Y429-L461 HydrophobicContact CE2-CB 4.17Å; Y429-L461 HydrophobicContact CE2-CD1 4.25Å; Y429-L461 VanDerWaalsContact OH-CB 3.26Å; Y429-L461 WeakPolarHBondContact OH-CB 3.31Å; Y429-L461 PolarHBondContact OH-O 2.91Å; K457-L461 PolarHBondContact O-N 3.1Å; N459-L461 VanDerWaalsContact C-N 3.28Å; N459-L461 PolarHBondContact O-N 3.43Å
462P44.7Very low55.5Low122 Ų122105.4 Ų105.479%0.79259%0.59SS**  trans-78.1151.7179.128.7-30.9000113.1
463D43.5Very low52.8Low139 Ų139112.1 Ų112.174%0.74361%0.61SS**  trans-34.3133.4-173.7-84.7-42.9000117.8K465D463-K465 PolarHBondContact O-N 2.85Å; D463-K465 VanDerWaalsContact O-N 3.12Å
464P43Very low50.1Low108 Ų108120.4 Ų120.470%0.70165%0.645SS**G310 helixtrans-74.35.217130.1-32.4000114.2K466P464-K466 VanDerWaalsContact C-N 3.29Å; P464-K466 PolarHBondContact O-N 3.21Å
465K43.3Very low47.5Very low186 Ų186130.7 Ų130.781%0.80969%0.69SS**G310 helixtrans-81.111.6-174.1-81.3-176.9177.9171.30115.9D463D463-K465 PolarHBondContact O-N 2.85Å; D463-K465 VanDerWaalsContact O-N 3.12Å
466K34.3Very low44.8Very low205 Ų205134.5 Ų134.589%0.89172%0.717SS**G310 helixtrans-132.340.5173.3-71.7-173.5-178172.70114.6P464P464-K466 VanDerWaalsContact C-N 3.29Å; P464-K466 PolarHBondContact O-N 3.21Å
467A31.2Very low42Very low92 Ų92132.8 Ų132.876%0.7672%0.723SS**  trans-98.292.7159.300000109.7
468K27.4Very low39.5Very low193 Ų193137.8 Ų137.884%0.83975%0.752SS**PPolyproline II helixtrans-59.1140167.2-78-177.5176.2178.30109.4K470K468-K470 PolarHBondContact O-N 3.2Å
469P30.3Very low37Very low126 Ų126139 Ų13982%0.81877%0.77SS**PPolyproline II helixtrans-69.3119.9175.728.6-30.8000108.9
470K27.8Very low35.1Very low200 Ų200145.8 Ų145.887%0.8779%0.787SS**PPolyproline II helixtrans-81.8137.9165.9-82.8-173.5178.5176.90109.4K468K468-K470 PolarHBondContact O-N 3.2Å
471P28.1Very low32.8Very low123 Ų123145.9 Ų145.980%0.79980%0.795SS**PPolyproline II helixtrans-78138.6-172.532-33.2000111.4
472G32.5Very low31.2Very low74 Ų74145.2 Ų145.276%0.76380%0.803SS**  trans43.4103.4149.500000119.1
473K28Very low30.3Very low210 Ų210146 Ų14691%0.91381%0.806SS**  trans-130.8106.3137.9-82.8-171.8178.5176.10110.8
474K26.9Very low29.4Very low194 Ų194147.3 Ų147.384%0.84381%0.807SS**  trans47105.5152.5-63-176178.4-178.20117.7V476K474-V476 PolarHBondContact O-N 3.35Å; K474-V476 VanDerWaalsContact O-N 3.1Å
475K27.9Very low28.8Very low216 Ų216146.9 Ų146.994%0.93981%0.807SS**  trans-44.7111.1147.5-70178175.2178.60108.9
476V26.3Very low27.9Very low133 Ų133146.1 Ų146.181%0.80680%0.803SS**  trans-89.4117.7154.4-179.60000105.6K474 I478K474-V476 PolarHBondContact O-N 3.35Å; K474-V476 VanDerWaalsContact O-N 3.1Å; V476-I478 PolarHBondContact O-N 3.37Å
477A24.8Very low27.6Very low87 Ų87141.8 Ų141.872%0.71979%0.794SS**  trans-56.7121.417600000109.5G479A477-G479 PolarHBondContact O-N 2.97Å
478I27.3Very low27.2Very low174 Ų174145.3 Ų145.389%0.89280%0.797SS**  trans-70.690.3155-63.6173.1000104.6V476 R480V476-I478 PolarHBondContact O-N 3.37Å; I478-R480 PolarHBondContact O-N 3.07Å
479G25.6Very low27.2Very low56 Ų56141.8 Ų141.858%0.57779%0.792SS**  trans-58.4131.1167.500000108.6A477 G481A477-G479 PolarHBondContact O-N 2.97Å; G479-G481 VanDerWaalsContact C-N 3.27Å; G479-G481 PolarHBondContact O-N 3.22Å
480R32.9Very low27Very low257 Ų257139 Ų13997%0.9779%0.786SS**  trans-55.196.9158.2-75.1174.6168171.1-4.7107.5I478 A482I478-R480 PolarHBondContact O-N 3.07Å; R480-A482 PolarHBondContact O-N 3.39Å
481G24.2Very low27Very low73 Ų73136 Ų13675%0.75379%0.785SS**  trans-76103167.600000108.3G479 V483G479-G481 VanDerWaalsContact C-N 3.27Å; G479-G481 PolarHBondContact O-N 3.22Å; G481-V483 PolarHBondContact O-N 3.26Å
482A24.4Very low27Very low81 Ų81135.7 Ų135.767%0.66979%0.785SS**  trans-51131.2166.700000110R480 H484R480-A482 PolarHBondContact O-N 3.39Å; A482-H484 PolarHBondContact O-N 2.75Å
483V26.4Very low26.7Very low139 Ų139135.5 Ų135.584%0.84278%0.784SS**  trans-50.6101.6166.8177.60000108.1G481 S485G481-V483 PolarHBondContact O-N 3.26Å; V483-S485 PolarHBondContact O-N 3.33Å
484H25.5Very low26.7Very low166 Ų166137 Ų13777%0.76978%0.784SS**  trans-82.1100158.3-90.658.6000106.6A482 K486A482-H484 PolarHBondContact O-N 2.75Å; H484-K486 VanDerWaalsContact C-N 3.28Å; H484-K486 PolarHBondContact O-N 3.21Å
485S29.2Very low26.8Very low100 Ų100133.7 Ų133.770%0.69978%0.78SS**  trans-58.794.6158.354.70000108.2V483 T487V483-S485 PolarHBondContact O-N 3.33Å; S485-T487 PolarHBondContact O-N 3.47Å
486K24Very low26.9Very low170 Ų170129.3 Ų129.374%0.73977%0.773SS**  trans-84.996.5156-83.2-172.9177179.60107.1H484 M488H484-K486 VanDerWaalsContact C-N 3.28Å; H484-K486 PolarHBondContact O-N 3.21Å; K486-M488 VanDerWaalsContact C-N 3.33Å; K486-M488 PolarHBondContact O-N 2.91Å
487T27.7Very low27.2Very low114 Ų114129.5 Ų129.570%0.69978%0.775SS**  trans-5299157.7-31.40000107.3S485 T489S485-T487 PolarHBondContact O-N 3.47Å; T487-T489 VanDerWaalsContact C-N 3.35Å; T487-T489 HydrophobicContact CG2-CG2 4.18Å; T487-T489 PolarHBondContact O-N 3.37Å
488M24.4Very low27.9Very low165 Ų165134.1 Ų134.181%0.81378%0.782SS**  trans-8591.5160.7-77.6-70.2160.600106.1K486 G490K486-M488 VanDerWaalsContact C-N 3.33Å; K486-M488 PolarHBondContact O-N 2.91Å; M488-G490 PolarHBondContact O-N 3.26Å
489T27.5Very low28.3Very low119 Ų119134.3 Ų134.373%0.7378%0.781SS**  trans-6484158.545.30000107.8T487 T491T487-T489 VanDerWaalsContact C-N 3.35Å; T487-T489 HydrophobicContact CG2-CG2 4.18Å; T487-T489 PolarHBondContact O-N 3.37Å; T489-T491 PolarHBondContact O-N 3.29Å
490G25.8Very low29.2Very low68 Ų68137.4 Ų137.470%0.70178%0.784SS**  trans-86.582.3163.600000108.5M488 S492M488-G490 PolarHBondContact O-N 3.26Å; G490-S492 VanDerWaalsContact C-N 3.32Å; G490-S492 PolarHBondContact O-N 3.08Å
491T27.6Very low30Very low138 Ų138130.2 Ų130.285%0.84777%0.773SS**  trans-62.492.8161.9350000108.8T489 G493T489-T491 PolarHBondContact O-N 3.29Å; T491-G493 PolarHBondContact O-N 2.86Å
492S27.6Very low31.3Very low115 Ų115136 Ų13680%0.80478%0.778SS**  trans-8797.6154.754.70000107.2G490 R494G490-S492 VanDerWaalsContact C-N 3.32Å; G490-S492 PolarHBondContact O-N 3.08Å; S492-R494 PolarHBondContact O-N 3.41Å; S492-R494 VanDerWaalsContact O-N 3.14Å
493G25.9Very low32.6Very low71 Ų71134 Ų13473%0.73276%0.759SS**  trans-54.9118.2175.400000110T491 T495T491-G493 PolarHBondContact O-N 2.86Å; G493-T495 PolarHBondContact O-N 3.26Å
494R28.5Very low34Very low241 Ų241131.9 Ų131.991%0.90974%0.742SS**  trans-61.7112.6150.1-78.3-179.8175.8175.1-0.4106.1S492S492-R494 PolarHBondContact O-N 3.41Å; S492-R494 VanDerWaalsContact O-N 3.14Å
495T29.3Very low35.4Very low125 Ų125129.3 Ų129.377%0.76773%0.733SS**  trans-54.9130160.4320000108G493 T497G493-T495 PolarHBondContact O-N 3.26Å; T495-T497 PolarHBondContact O-N 2.89Å
496P29.4Very low36.7Very low124 Ų124129.3 Ų129.381%0.80573%0.725SS**  trans-72.3111.517219.3-12.9000107.2Q498P496-Q498 PolarHBondContact O-N 3.26Å
497T33.2Very low38Very low136 Ų136127.8 Ų127.883%0.83472%0.72SS**  trans-59.2123.1168.9-3.80000108.1T495 M499T495-T497 PolarHBondContact O-N 2.89Å; T497-M499 PolarHBondContact O-N 3.35Å
498Q39.1Very low39.4Very low184 Ų184127.6 Ų127.686%0.8671%0.714SS**  trans-50.9124.1171.5-81.3177.2-24.100109.4P496 N500P496-Q498 PolarHBondContact O-N 3.26Å; Q498-N500 PolarHBondContact O-N 3.24Å
499M35.6Very low40.9Very low179 Ų179124.5 Ų124.588%0.88271%0.705SS**  trans-65.2104.8170.9-75.4-166.916800108.6T497 S501T497-M499 PolarHBondContact O-N 3.35Å; M499-S501 PolarHBondContact O-N 3.34Å
500N43.9Very low42.2Very low121 Ų121128.1 Ų128.165%0.64771%0.705SS**  trans-72.4115.2167.8-108.3-24000107.9Q498 K502Q498-N500 PolarHBondContact O-N 3.24Å; N500-K502 PolarHBondContact O-N 3.02Å
501S50.9Low43.5Very low106 Ų106133 Ų13374%0.74171%0.714SS**THydrogen-bonded Turntrans-67.618-178.660.30000114.8M499M499-S501 PolarHBondContact O-N 3.34Å
502K50.8Low44.6Very low193 Ų193132.7 Ų132.784%0.83971%0.711SS**THydrogen-bonded Turntrans-107.2-4.5-174.1-67.7-175.8-179.6177.60114.3N500N500-K502 PolarHBondContact O-N 3.02Å
503S51.8Low46Very low40 Ų40132 Ų13228%0.2870%0.702SS.*SBendtrans-11937.4-17548.70000113.7I521S503-I521 WeakPolarHBondContact O-CG1 3.28Å
504I55.5Low47.4Very low95 Ų95131.8 Ų131.849%0.48770%0.701SS.*EExtended strand (participates in β ladder)trans-121.1121.1173.8-56.9170000107.2T518I504-T518 HydrophobicContact CG2-CG2 3.89Å
505I56.2Low48.5Very low112 Ų112128.3 Ų128.357%0.57469%0.692SS**EExtended strand (participates in β ladder)trans-109.7131.7173-59.4178.5000108.4I521I505-I521 HydrophobicContact CD1-CD1 3.73Å; I505-I521 HydrophobicContact CG1-CD1 4.05Å
506L56.3Low49.7Very low100 Ų100125.4 Ų125.452%0.52467%0.674SS.*EExtended strand (participates in β ladder)trans-88.9112.8177.5-67.7160.4000108.8T516 T518L506-T516 HydrophobicContact CB-CG2 4.16Å; L506-T516 HydrophobicContact CD2-CG2 4.18Å; L506-T518 HydrophobicContact CD2-CG2 3.5Å
507H51.6Low51Low138 Ų138124.1 Ų124.164%0.63966%0.661SS**EExtended strand (participates in β ladder)trans-95.3114.3177.1-140.15.2000110.4T509 N517H507-T509 PolarHBondContact O-N 3.31Å; H507-N517 PolarHBondContact N-O 2.93Å
508N56.6Low52.1Low109 Ų109122.3 Ų122.358%0.58365%0.649SS**  trans-81.599.7174.8-87.9-19.9000109.7T516N508-T516 WeakPolarHBondContact OD1-CG2 3.42Å
509T55.7Low53Low101 Ų101120 Ų12062%0.6264%0.639SS**  trans-89.4-14.4-177.9540000113.7H507H507-T509 PolarHBondContact O-N 3.31Å
510R55Low53.7Low194 Ų194116.4 Ų116.473%0.73262%0.623SS**  trans-150.4114.6173.9-68.6-173172.1164.2-4.2112.6T512R510-T512 PolarHBondContact O-N 2.91Å
511I52.5Low54.3Low172 Ų172115.7 Ų115.788%0.88262%0.618SS**THydrogen-bonded Turntrans-61.3-16.1-170.8-63.9169.2000113.9
512T52Low54.2Low130 Ų130113.6 Ų113.680%0.79860%0.604SS**THydrogen-bonded Turntrans-102.9-5.7-170.951.70000116.4R510R510-T512 PolarHBondContact O-N 2.91Å
513T56.1Low54.1Low100 Ų100113 Ų11361%0.61360%0.601SS**THydrogen-bonded Turntrans-126.13.7-175.553.90000115.7K515T513-K515 PolarHBondContact O-N 3.45Å
514G55.2Low53.7Low68 Ų68116.4 Ų116.470%0.70162%0.62SS**  trans61.511.1166.800000116.9
515K52.8Low52.8Low168 Ų168115.6 Ų115.673%0.7362%0.621SS**  trans-91113175.8-76.6-176176.2-179.40110.3T513T513-K515 PolarHBondContact O-N 3.45Å
516T53.8Low52.2Low63 Ų63119.9 Ų119.939%0.38764%0.636SS.*  trans-92.7130.417349.60000110.6L506 N508L506-T516 HydrophobicContact CB-CG2 4.16Å; L506-T516 HydrophobicContact CD2-CG2 4.18Å; N508-T516 WeakPolarHBondContact OD1-CG2 3.42Å
517N56.5Low51.4Low98 Ų98118.6 Ų118.652%0.52463%0.632SS.*EExtended strand (participates in β ladder)trans-88.8130.9166.4-71.5-14.5000109H507H507-N517 PolarHBondContact N-O 2.93Å
518T57.1Low50.6Low97 Ų97119 Ų11960%0.59564%0.644SS**EExtended strand (participates in β ladder)trans-91.7115.3172.449.40000109I504 L506I504-T518 HydrophobicContact CG2-CG2 3.89Å; L506-T518 HydrophobicContact CD2-CG2 3.5Å
519E56.2Low50.1Low136 Ų136121.2 Ų121.264%0.63664%0.644SS**EExtended strand (participates in β ladder)trans-108.2132169.7-64.7-161.517800110.4
520D51Low49.9Very low103 Ų103118.5 Ų118.555%0.55164%0.636SS**EExtended strand (participates in β ladder)trans-89.9114177.2-176.3-1.1000109S522D520-S522 VanDerWaalsContact CG-OG 3.31Å; D520-S522 VanDerWaalsContact OD1-CB 3.25Å; D520-S522 WeakPolarHBondContact OD1-CB 3.5Å; D520-S522 PolarHBondContact OD1-N 2.99Å; D520-S522 PolarHBondContact OD1-OG 2.87Å; D520-S522 PolarHBondContact OD2-OG 3.2Å
521I56.7Low49.5Very low106 Ų106118.7 Ų118.754%0.54465%0.645SS.*  trans-101.918.6-178.545.3167.8000112.2S503 I505 F523S503-I521 WeakPolarHBondContact O-CG1 3.28Å; I505-I521 HydrophobicContact CD1-CD1 3.73Å; I505-I521 HydrophobicContact CG1-CD1 4.05Å; I521-F523 PolarHBondContact O-N 3.28Å
522S49.6Very low49.3Very low63 Ų63116.3 Ų116.344%0.44163%0.634SS.*  trans-63.399.6175.256.80000111.3D520 V524D520-S522 VanDerWaalsContact CG-OG 3.31Å; D520-S522 VanDerWaalsContact OD1-CB 3.25Å; D520-S522 WeakPolarHBondContact OD1-CB 3.5Å; D520-S522 PolarHBondContact OD1-N 2.99Å; D520-S522 PolarHBondContact OD1-OG 2.87Å; D520-S522 PolarHBondContact OD2-OG 3.2Å; S522-V524 PolarHBondContact O-N 3.3Å; S522-V524 VanDerWaalsContact O-N 3.16Å
523F48.6Very low49.4Very low180 Ų180112.1 Ų112.179%0.78961%0.609SS**  trans-72.4103.8171.4178.5-102.9000109.1I521 P525I521-F523 PolarHBondContact O-N 3.28Å; F523-P525 HydrophobicContact CD1-CB 4.45Å; F523-P525 HydrophobicContact CE1-CB 3.75Å; F523-P525 HydrophobicContact CE1-CG 4.31Å; F523-P525 HydrophobicContact CZ-CB 4.24Å; F523-P525 VanDerWaalsContact O-CD 3.29Å; F523-P525 WeakPolarHBondContact O-CD 3.49Å
524V43.3Very low49.3Very low112 Ų112111.1 Ų111.168%0.67960%0.603SS**  trans-90106.7166.1-177.30000107.3S522 K526S522-V524 PolarHBondContact O-N 3.3Å; S522-V524 VanDerWaalsContact O-N 3.16Å; V524-K526 PolarHBondContact O-N 2.94Å
525P35.3Very low49Very low77 Ų77112.6 Ų112.650%0.560%0.598SS.*  trans-62110175.523-30.3000109.1F523 T527F523-P525 HydrophobicContact CD1-CB 4.45Å; F523-P525 HydrophobicContact CE1-CB 3.75Å; F523-P525 HydrophobicContact CE1-CG 4.31Å; F523-P525 HydrophobicContact CZ-CB 4.24Å; F523-P525 VanDerWaalsContact O-CD 3.29Å; F523-P525 WeakPolarHBondContact O-CD 3.49Å; P525-T527 PolarHBondContact O-N 3.16Å
526K44.4Very low49Very low203 Ų203108.1 Ų108.188%0.88359%0.588SS**  trans-7867.8168.1-76.5-172.2178-179.70109.6V524V524-K526 PolarHBondContact O-N 2.94Å
527T39.4Very low48.9Very low72 Ų72110.1 Ų110.144%0.44259%0.593SS.*  trans-150104.9170.356.20000111.3P525 W529P525-T527 PolarHBondContact O-N 3.16Å; T527-W529 VanDerWaalsContact C-N 3.34Å; T527-W529 HydrophobicContact CG2-CD2 4.42Å; T527-W529 HydrophobicContact CG2-CG 4.45Å; T527-W529 HydrophobicContact CG2-CZ2 4.1Å; T527-W529 PolarHBondContact OG1-NE1 3.06Å; T527-W529 VanDerWaalsContact OG1-NE1 3.11Å
528V35.2Very low48.6Very low148 Ų148108.2 Ų108.290%0.89758%0.583SS**  trans-85.394.5135-174.50000103.2G530V528-G530 PolarHBondContact O-N 2.84Å
529W46.5Very low48.3Very low154 Ų154109.7 Ų109.758%0.58358%0.584SS**  trans-61.8130.7163-61.679.5000104.4W294 T527W294-W529 HydrophobicContact CZ2-CZ3 4.08Å; T527-W529 VanDerWaalsContact C-N 3.34Å; T527-W529 HydrophobicContact CG2-CD2 4.42Å; T527-W529 HydrophobicContact CG2-CG 4.45Å; T527-W529 HydrophobicContact CG2-CZ2 4.1Å; T527-W529 PolarHBondContact OG1-NE1 3.06Å; T527-W529 VanDerWaalsContact OG1-NE1 3.11Å
530G51.6Low48.2Very low44 Ų44106.7 Ų106.745%0.45458%0.579SS.*  trans-50.2161.717200000110.6V528 L532V528-G530 PolarHBondContact O-N 2.84Å; G530-L532 PolarHBondContact O-N 2.86Å
531E45.3Very low48.2Very low198 Ų198103.3 Ų103.393%0.92556%0.56SS**  trans-50.9115.5-179.9-65.7-172.3168.700109.7
532L48.3Very low47.9Very low123 Ų123102.1 Ų102.164%0.64455%0.554SS**PPolyproline II helixtrans-57131.7176.2-74.5160.6000107.2G530 T534G530-L532 PolarHBondContact O-N 2.86Å; L532-T534 PolarHBondContact O-N 2.82Å
533P54.7Low48Very low41 Ų41102 Ų10227%0.26656%0.557SS.*PPolyproline II helixtrans-55.9129.7176.819.7-29.3000108.8Q537 L538P533-Q537 VanDerWaalsContact CA-OE1 3.26Å; P533-Q537 HydrophobicContact CB-CB 4.23Å; P533-L538 HydrophobicContact CB-CG 4.28Å; P533-L538 HydrophobicContact CG-CD1 4.3Å; P533-L538 HydrophobicContact CG-CD2 4.45Å; P533-L538 HydrophobicContact CG-CG 4.13Å; P533-L538 WeakPolarHBondContact O-CD1 3.46Å
534T54.4Low48.3Very low79 Ų7997 Ų9749%0.48553%0.533SS..PPolyproline II helixtrans-58.9149.5-179.3-57.40000108.7L532 S536 Q537 L538L532-T534 PolarHBondContact O-N 2.82Å; T534-S536 WeakPolarHBondContact CG2-OG 3.23Å; T534-S536 PolarHBondContact O-N 3Å; T534-Q537 WeakPolarHBondContact O-CA 3.23Å; T534-Q537 WeakPolarHBondContact O-CB 3.34Å; T534-Q537 PolarHBondContact O-N 3.33Å; T534-L538 PolarHBondContact O-N 3.04Å
535T49.3Very low48.6Very low99 Ų9997.8 Ų97.861%0.60752%0.524SS*.Hα-helixtrans-49.3-34.4177.541.50000112.8M539T535-M539 WeakPolarHBondContact O-CB 3.36Å; T535-M539 WeakPolarHBondContact O-CG 3.46Å; T535-M539 PolarHBondContact O-N 3.35Å
536S52Low49.1Very low75 Ų7599.3 Ų99.352%0.52452%0.523SS..Hα-helixtrans-62.7-43.1172.257.70000113.8T534 M539 S540T534-S536 WeakPolarHBondContact CG2-OG 3.23Å; T534-S536 PolarHBondContact O-N 3Å; S536-M539 PolarHBondContact O-N 3.17Å; S536-S540 WeakPolarHBondContact O-CB 3.44Å; S536-S540 PolarHBondContact O-N 3.44Å
537Q50.8Low48.9Very low105 Ų10591.9 Ų91.949%0.49150%0.504SS..Hα-helixtrans-68.1-40178.3-68.1171.9-26.600111.4P533 T534 S540 N541P533-Q537 VanDerWaalsContact CA-OE1 3.26Å; P533-Q537 HydrophobicContact CB-CB 4.23Å; T534-Q537 WeakPolarHBondContact O-CA 3.23Å; T534-Q537 WeakPolarHBondContact O-CB 3.34Å; T534-Q537 PolarHBondContact O-N 3.33Å; Q537-S540 PolarHBondContact O-N 3.5Å; Q537-N541 WeakPolarHBondContact O-CB 3.28Å; Q537-N541 PolarHBondContact O-N 3.19Å
538L50.6Low49.1Very low58 Ų5894.8 Ų94.830%0.30451%0.507SS..Hα-helixtrans-61.1-46.2172.8-83.6155.8000111.5P533 T534 N541 I542P533-L538 HydrophobicContact CB-CG 4.28Å; P533-L538 HydrophobicContact CG-CD1 4.3Å; P533-L538 HydrophobicContact CG-CD2 4.45Å; P533-L538 HydrophobicContact CG-CG 4.13Å; P533-L538 WeakPolarHBondContact O-CD1 3.46Å; T534-L538 PolarHBondContact O-N 3.04Å; L538-N541 PolarHBondContact O-N 2.89Å; L538-I542 VanDerWaalsContact O-CG1 3.26Å; L538-I542 WeakPolarHBondContact O-CG1 3.46Å; L538-I542 PolarHBondContact O-N 3.32Å
539M50.4Low49.4Very low128 Ų12894.5 Ų94.563%0.63150%0.498SS*.Hα-helixtrans-64.8-38.7177-71.3-64.1-70.300112.3T535 S536 I542 A543T535-M539 WeakPolarHBondContact O-CB 3.36Å; T535-M539 WeakPolarHBondContact O-CG 3.46Å; T535-M539 PolarHBondContact O-N 3.35Å; S536-M539 PolarHBondContact O-N 3.17Å; M539-I542 PolarHBondContact O-N 3.15Å; M539-I542 HydrophobicContact SD-CD1 4.37Å; M539-A543 WeakPolarHBondContact O-CB 3.48Å; M539-A543 PolarHBondContact O-N 3.01Å
540S55.1Low48.9Very low73 Ų7391 Ų9151%0.5150%0.495SS..Hα-helixtrans-63.7-44.1173.5-177.10000111.8S536 Q537 I542 A543 R544S536-S540 WeakPolarHBondContact O-CB 3.44Å; S536-S540 PolarHBondContact O-N 3.44Å; Q537-S540 PolarHBondContact O-N 3.5Å; S540-I542 VanDerWaalsContact C-N 3.34Å; S540-I542 PolarHBondContact O-N 2.69Å; S540-A543 PolarHBondContact O-N 2.85Å; S540-R544 WeakPolarHBondContact O-CB 3.36Å; S540-R544 PolarHBondContact O-N 3.28Å
541N50.3Low48.3Very low32 Ų3297 Ų9717%0.17152%0.515CS..Hα-helixtrans-63.5-38175.4-88.7-17.4000112.5E317 Q537 L538 R544 R545E317-N541 PolarHBondContact OE1-ND2 3.06Å; E317-N541 VanDerWaalsContact OE1-ND2 3.14Å; Q537-N541 WeakPolarHBondContact O-CB 3.28Å; Q537-N541 PolarHBondContact O-N 3.19Å; L538-N541 PolarHBondContact O-N 2.89Å; N541-R544 PolarHBondContact O-N 3.31Å; N541-R544 PolarHBondContact OD1-NH2 3.27Å; N541-R545 WeakPolarHBondContact O-CB 3.25Å; N541-R545 WeakPolarHBondContact O-CG 3.38Å; N541-R545 PolarHBondContact O-N 3.28Å
542I50.7Low48Very low81 Ų8195.3 Ų95.342%0.41551%0.507SS..Hα-helixtrans-63.6-47173.8-69.7163.9000110.4L538 M539 S540 R544 R545 K546L538-I542 VanDerWaalsContact O-CG1 3.26Å; L538-I542 WeakPolarHBondContact O-CG1 3.46Å; L538-I542 PolarHBondContact O-N 3.32Å; M539-I542 PolarHBondContact O-N 3.15Å; M539-I542 HydrophobicContact SD-CD1 4.37Å; S540-I542 VanDerWaalsContact C-N 3.34Å; S540-I542 PolarHBondContact O-N 2.69Å; I542-R544 VanDerWaalsContact C-N 3.32Å; I542-R544 PolarHBondContact O-N 3.12Å; I542-R545 PolarHBondContact O-N 3.25Å; I542-K546 WeakPolarHBondContact O-CG 3.35Å; I542-K546 PolarHBondContact O-N 2.89Å
543A52.7Low47.8Very low61 Ų6194.1 Ų94.150%0.50451%0.505SS..Hα-helixtrans-60.7-40.6175.900000112M539 S540 K546 G547M539-A543 WeakPolarHBondContact O-CB 3.48Å; M539-A543 PolarHBondContact O-N 3.01Å; S540-A543 PolarHBondContact O-N 2.85Å; A543-K546 WeakPolarHBondContact O-CB 3.48Å; A543-K546 PolarHBondContact O-N 2.91Å; A543-G547 PolarHBondContact O-N 3.44Å; A543-G547 VanDerWaalsContact O-N 3.11Å
544R54.4Low47Very low74 Ų7498.8 Ų98.828%0.27953%0.527SS..Hα-helixtrans-67.4-36.9177.8-164.3172.467125.63.5112.8E350 S540 N541 I542 K546 G547 R548E350-R544 IonicContact OE2-NH1 3.16Å; E350-R544 PolarHBondContact OE2-NH1 3.17Å; S540-R544 WeakPolarHBondContact O-CB 3.36Å; S540-R544 PolarHBondContact O-N 3.28Å; N541-R544 PolarHBondContact O-N 3.31Å; N541-R544 PolarHBondContact OD1-NH2 3.27Å; I542-R544 VanDerWaalsContact C-N 3.32Å; I542-R544 PolarHBondContact O-N 3.12Å; R544-K546 VanDerWaalsContact C-N 3.34Å; R544-G547 PolarHBondContact O-N 2.94Å; R544-R548 PolarHBondContact O-N 3.15Å
545R48.3Very low46.3Very low128 Ų128102.1 Ų102.148%0.48354%0.536SS..Hα-helixtrans-66.6-35172.5-74.1177.1-170.5174.86.9111.8E317 N541 I542E317-R545 IonicContact OE1-NH2 2.63Å; E317-R545 PolarHBondContact OE1-NH2 3.15Å; E317-R545 IonicContact OE2-NH2 3.05Å; E317-R545 PolarHBondContact OE2-NH2 3.33Å; N541-R545 WeakPolarHBondContact O-CB 3.25Å; N541-R545 WeakPolarHBondContact O-CG 3.38Å; N541-R545 PolarHBondContact O-N 3.28Å; I542-R545 PolarHBondContact O-N 3.25Å
546K46.5Very low46.2Very low110 Ų110105.6 Ų105.648%0.47855%0.55SS.*Hα-helixtrans-62.8-44.4173-72.4-178.1176-170.80111.6N281 I542 A543 R544 R548 I549 T550N281-K546 PolarHBondContact OD1-NZ 2.96Å; I542-K546 WeakPolarHBondContact O-CG 3.35Å; I542-K546 PolarHBondContact O-N 2.89Å; A543-K546 WeakPolarHBondContact O-CB 3.48Å; A543-K546 PolarHBondContact O-N 2.91Å; R544-K546 VanDerWaalsContact C-N 3.34Å; K546-R548 VanDerWaalsContact C-N 3.34Å; K546-R548 PolarHBondContact O-N 2.85Å; K546-I549 PolarHBondContact O-N 3.18Å; K546-T550 PolarHBondContact O-N 3.35Å
547G40.7Very low46Very low47 Ų47109.2 Ų109.249%0.48556%0.564SS.*Hα-helixtrans-66.4-24.618000000115.9A543 R544 T550A543-G547 PolarHBondContact O-N 3.44Å; A543-G547 VanDerWaalsContact O-N 3.11Å; R544-G547 PolarHBondContact O-N 2.94Å; G547-T550 PolarHBondContact O-OG1 3.11Å
548R43.6Very low45.8Very low133 Ų133110.4 Ų110.450%0.50257%0.573SS.*Hα-helixtrans-78.2-17.9177.1-78.5-174.8178.4173.6-0.1114.1N313 R544 K546N313-R548 PolarHBondContact O-NH1 3.18Å; N313-R548 VanDerWaalsContact O-NH1 3.1Å; R544-R548 PolarHBondContact O-N 3.15Å; K546-R548 VanDerWaalsContact C-N 3.34Å; K546-R548 PolarHBondContact O-N 2.85Å
549I40.7Very low45.9Very low141 Ų141111.7 Ų111.772%0.72358%0.58SS**Hα-helixtrans-97.5-23.9-177.4-60.6170.4000110.6K546 L551K546-I549 PolarHBondContact O-N 3.18Å; I549-L551 PolarHBondContact O-N 3.43Å
550T36.5Very low46Very low82 Ų82111.6 Ų111.650%0.50358%0.58SS.*  trans-79.366.2173.455.80000110.9K546 G547K546-T550 PolarHBondContact O-N 3.35Å; G547-T550 PolarHBondContact O-OG1 3.11Å
551L38.8Very low45.8Very low168 Ų168112.8 Ų112.888%0.8859%0.586SS**  trans-102.128.7149.9-130139.8000109I549I549-L551 PolarHBondContact O-N 3.43Å
552E39.2Very low45.9Very low164 Ų164118.5 Ų118.577%0.76661%0.61SS**SBendtrans-90.4128152.9-74.3-173.7163.700106.9D554E552-D554 PolarHBondContact O-N 3.42Å
553V43.3Very low46.4Very low98 Ų98116.4 Ų116.459%0.59460%0.603SS**  trans-67.893.6-175.1178.20000108.6F555V553-F555 HydrophobicContact CG1-CD2 3.25Å; V553-F555 HydrophobicContact CG1-CE2 3.11Å; V553-F555 HydrophobicContact CG1-CG 4.03Å; V553-F555 HydrophobicContact CG1-CZ 3.8Å; V553-F555 PolarHBondContact O-N 3.32Å; V553-F555 VanDerWaalsContact O-N 3.13Å
554D38.8Very low46.6Very low138 Ų138117 Ų11774%0.73860%0.595SS**  trans-77.289.7165.6-78.9-26.8000108.3E552E552-D554 PolarHBondContact O-N 3.42Å
555F39.2Very low46.8Very low150 Ų150123.2 Ų123.266%0.65862%0.618SS**  trans-87.3129.1153.2-68.2-62.6000107.3V553 D557 L558V553-F555 HydrophobicContact CG1-CD2 3.25Å; V553-F555 HydrophobicContact CG1-CE2 3.11Å; V553-F555 HydrophobicContact CG1-CG 4.03Å; V553-F555 HydrophobicContact CG1-CZ 3.8Å; V553-F555 PolarHBondContact O-N 3.32Å; V553-F555 VanDerWaalsContact O-N 3.13Å; F555-D557 PolarHBondContact O-N 2.66Å; F555-L558 PolarHBondContact O-N 3.19Å
556D48.5Very low47.7Very low172 Ų172122.8 Ų122.892%0.9262%0.62SS**THydrogen-bonded Turntrans-56.8-6.2-179.4-74.2-39.8000114.8
557D46.1Very low48.7Very low150 Ų150122.4 Ų122.480%0.80262%0.62SS**THydrogen-bonded Turntrans-105.52.6-174.7-74.7-28.1000115.7F555 L559F555-D557 PolarHBondContact O-N 2.66Å; D557-L559 PolarHBondContact O-N 2.97Å
558L46.5Very low49.9Very low130 Ų130128 Ų12868%0.68163%0.626SS**  trans-89.280.4-179.6-84.8162.2000112.9F555 I560F555-L558 PolarHBondContact O-N 3.19Å; L558-I560 PolarHBondContact O-N 3.38Å
559L54.7Low50.9Low86 Ų86130 Ų13045%0.4563%0.634SS.*  trans-66.6129.4162.5-78.5164.8000110.4D557 Q564D557-L559 PolarHBondContact O-N 2.97Å; L559-Q564 HydrophobicContact CB-CG 3.88Å; L559-Q564 WeakPolarHBondContact O-CG 3.43Å; L559-Q564 PolarHBondContact O-NE2 2.82Å
560I52.5Low52.3Low125 Ų125127.4 Ų127.464%0.64162%0.621SS**  trans-51.3139.4178.9-50.4170.9000110.2L558 F562 S563 Q564L558-I560 PolarHBondContact O-N 3.38Å; I560-F562 PolarHBondContact O-N 2.85Å; I560-S563 PolarHBondContact N-OG 3.42Å; I560-S563 PolarHBondContact O-N 3.43Å; I560-S563 PolarHBondContact O-OG 3.5Å; I560-Q564 PolarHBondContact O-N 3.37Å
561P50.3Low53.8Low99 Ų99128.7 Ų128.764%0.64362%0.624SS**Hα-helixtrans-54-26.3-173.2-3035.3000115.7R565P561-R565 PolarHBondContact O-N 3.16Å
562F51Low55.2Low152 Ų152127.5 Ų127.567%0.66761%0.614SS**Hα-helixtrans-69.1-44.6175.5-174.7-100.1000112.5I560 R565 F566I560-F562 PolarHBondContact O-N 2.85Å; F562-R565 PolarHBondContact O-N 3.12Å; F562-F566 HydrophobicContact CE1-CD2 4.24Å; F562-F566 HydrophobicContact CZ-CD2 4.21Å; F562-F566 HydrophobicContact CZ-CE2 4.47Å; F562-F566 PolarHBondContact O-N 3.02Å
563S61.3Low56.6Low37 Ų37126.1 Ų126.126%0.25961%0.611SS.*Hα-helixtrans-69.9-34.2178.236.30000111.9I560 F566 Q567I560-S563 PolarHBondContact N-OG 3.42Å; I560-S563 PolarHBondContact O-N 3.43Å; I560-S563 PolarHBondContact O-OG 3.5Å; S563-F566 PolarHBondContact O-N 3.01Å; S563-Q567 WeakPolarHBondContact O-CB 3.41Å; S563-Q567 PolarHBondContact O-N 2.94Å
564Q58.3Low57.6Low74 Ų74125.9 Ų125.935%0.34661%0.609SS.*Hα-helixtrans-62.4-43.5171.6-66.7-172.911.500112.5L559 I560 F566 R568L559-Q564 HydrophobicContact CB-CG 3.88Å; L559-Q564 WeakPolarHBondContact O-CG 3.43Å; L559-Q564 PolarHBondContact O-NE2 2.82Å; I560-Q564 PolarHBondContact O-N 3.37Å; Q564-F566 VanDerWaalsContact C-N 3.32Å; Q564-R568 WeakPolarHBondContact O-CB 3.43Å; Q564-R568 WeakPolarHBondContact O-CG 3.33Å; Q564-R568 PolarHBondContact O-N 3.08Å
565R57.2Low58.6Low204 Ų204127 Ų12777%0.7761%0.607SS**Hα-helixtrans-64-39.4175.4-98.5-176.7172.4-177-0.7111.7P561 F562 R569P561-R565 PolarHBondContact O-N 3.16Å; F562-R565 PolarHBondContact O-N 3.12Å; R565-R569 WeakPolarHBondContact O-CB 3.44Å; R565-R569 PolarHBondContact O-N 3.31Å
566F68.1Low59.6Low119 Ų119125.2 Ų125.252%0.52261%0.611SS.*Hα-helixtrans-67.3-45.3179.6-139.1-88.8000111.8F562 S563 Q564 R569 I570F562-F566 HydrophobicContact CE1-CD2 4.24Å; F562-F566 HydrophobicContact CZ-CD2 4.21Å; F562-F566 HydrophobicContact CZ-CE2 4.47Å; F562-F566 PolarHBondContact O-N 3.02Å; S563-F566 PolarHBondContact O-N 3.01Å; Q564-F566 VanDerWaalsContact C-N 3.32Å; F566-R569 PolarHBondContact O-N 3.19Å; F566-I570 HydrophobicContact CD1-CD1 3.8Å; F566-I570 HydrophobicContact CD1-CG1 4.42Å; F566-I570 HydrophobicContact CE1-CD1 4.17Å; F566-I570 WeakPolarHBondContact O-CG1 3.41Å; F566-I570 PolarHBondContact O-N 3.4Å
567Q68.5Low60.1Low102 Ų102125.8 Ų125.848%0.47761%0.605SS.*Hα-helixtrans-65.2-41176.1-78.1-179.9-22.700112.6S563 R569 I570 L571S563-Q567 WeakPolarHBondContact O-CB 3.41Å; S563-Q567 PolarHBondContact O-N 2.94Å; Q567-R569 VanDerWaalsContact C-N 3.33Å; Q567-R569 PolarHBondContact O-N 3.41Å; Q567-I570 PolarHBondContact O-N 3.38Å; Q567-L571 WeakPolarHBondContact O-CB 3.48Å; Q567-L571 PolarHBondContact O-N 2.93Å
568R65.1Low60.4Low163 Ų163123.5 Ų123.562%0.61560%0.597SS**Hα-helixtrans-59.8-43.6173.2-80.3-173.8-166166.57.7111.9Q564 I570 L571 E572Q564-R568 WeakPolarHBondContact O-CB 3.43Å; Q564-R568 WeakPolarHBondContact O-CG 3.33Å; Q564-R568 PolarHBondContact O-N 3.08Å; R568-I570 VanDerWaalsContact C-N 3.35Å; R568-I570 PolarHBondContact O-N 2.98Å; R568-L571 PolarHBondContact O-N 3.14Å; R568-E572 WeakPolarHBondContact O-CB 3.45Å; R568-E572 WeakPolarHBondContact O-CG 3.24Å; R568-E572 PolarHBondContact O-N 3.28Å
569R64Low60.8Low177 Ų177126.2 Ų126.267%0.66860%0.603SS**Hα-helixtrans-65.4-38.7179.4-142.2-178.5-158.2-173.24.3112R565 F566 Q567 E572 I573R565-R569 WeakPolarHBondContact O-CB 3.44Å; R565-R569 PolarHBondContact O-N 3.31Å; F566-R569 PolarHBondContact O-N 3.19Å; Q567-R569 VanDerWaalsContact C-N 3.33Å; Q567-R569 PolarHBondContact O-N 3.41Å; R569-E572 PolarHBondContact O-N 3Å; R569-I573 HydrophobicContact CG-CD1 4.44Å; R569-I573 WeakPolarHBondContact O-CB 2.86Å; R569-I573 WeakPolarHBondContact O-CD1 3.46Å; R569-I573 WeakPolarHBondContact O-CG1 3.43Å; R569-I573 PolarHBondContact O-N 2.73Å
570I71.6Confident60.8Low86 Ų86128.7 Ų128.744%0.44162%0.616SS.*Hα-helixtrans-63.7-47.7174-69.5169.2000110.1F566 Q567 R568 E572 I573 T574F566-I570 HydrophobicContact CD1-CD1 3.8Å; F566-I570 HydrophobicContact CD1-CG1 4.42Å; F566-I570 HydrophobicContact CE1-CD1 4.17Å; F566-I570 WeakPolarHBondContact O-CG1 3.41Å; F566-I570 PolarHBondContact O-N 3.4Å; Q567-I570 PolarHBondContact O-N 3.38Å; R568-I570 VanDerWaalsContact C-N 3.35Å; R568-I570 PolarHBondContact O-N 2.98Å; I570-E572 VanDerWaalsContact C-N 3.31Å; I570-E572 PolarHBondContact O-N 3.03Å; I570-I573 PolarHBondContact O-N 3.46Å; I570-I573 VanDerWaalsContact O-N 3.11Å; I570-T574 HydrophobicContact CG2-CG2 4.23Å; I570-T574 WeakPolarHBondContact O-CG2 3.48Å; I570-T574 PolarHBondContact O-N 3.19Å; I570-T574 PolarHBondContact O-OG1 2.92Å
571L67.1Low60.9Low108 Ų108128.6 Ų128.657%0.56561%0.613SS**Hα-helixtrans-61.9-34.4177.8-83.8158.7000113.6Q567 R568 T574 K575Q567-L571 WeakPolarHBondContact O-CB 3.48Å; Q567-L571 PolarHBondContact O-N 2.93Å; R568-L571 PolarHBondContact O-N 3.14Å; L571-T574 WeakPolarHBondContact CA-OG1 3.45Å; L571-K575 WeakPolarHBondContact O-CG 3.44Å; L571-K575 PolarHBondContact O-N 3.03Å
572E69Low61.1Low143 Ų143130.8 Ų130.867%0.66862%0.615SS**Hα-helixtrans-69-37.7173.2-77.5173.5-179.800112.2R568 R569 I570R568-E572 WeakPolarHBondContact O-CB 3.45Å; R568-E572 WeakPolarHBondContact O-CG 3.24Å; R568-E572 PolarHBondContact O-N 3.28Å; R569-E572 PolarHBondContact O-N 3Å; I570-E572 VanDerWaalsContact C-N 3.31Å; I570-E572 PolarHBondContact O-N 3.03Å
573I68.6Low61.3Low136 Ų136126.7 Ų126.770%0.69761%0.605SS**Hα-helixtrans-75.5-31.6178.8-66.8164.7000111.4R569 I570R569-I573 HydrophobicContact CG-CD1 4.44Å; R569-I573 WeakPolarHBondContact O-CB 2.86Å; R569-I573 WeakPolarHBondContact O-CD1 3.46Å; R569-I573 WeakPolarHBondContact O-CG1 3.43Å; R569-I573 PolarHBondContact O-N 2.73Å; I570-I573 PolarHBondContact O-N 3.46Å; I570-I573 VanDerWaalsContact O-N 3.11Å
574T62.8Low61Low92 Ų92131.7 Ų131.756%0.56462%0.624SS**Hα-helixtrans-91.6-3.2-177.257.40000114.6I570 L571 P576I570-T574 HydrophobicContact CG2-CG2 4.23Å; I570-T574 WeakPolarHBondContact O-CG2 3.48Å; I570-T574 PolarHBondContact O-N 3.19Å; I570-T574 PolarHBondContact O-OG1 2.92Å; L571-T574 WeakPolarHBondContact CA-OG1 3.45Å; T574-P576 WeakPolarHBondContact O-CD 3.47Å
575K60Low60.8Low161 Ų161138.4 Ų138.470%0.765%0.646SS**  trans-71.3119.5176.3-95.5177.9-179.6-179.60110.3L571 K577L571-K575 WeakPolarHBondContact O-CG 3.44Å; L571-K575 PolarHBondContact O-N 3.03Å; K575-K577 PolarHBondContact O-N 3.08Å
576P60.2Low60.8Low113 Ų113136.3 Ų136.373%0.73465%0.645SS**  trans-66.6128173.226.8-31.8000109.4T574 T578T574-P576 WeakPolarHBondContact O-CD 3.47Å; P576-T578 PolarHBondContact O-N 3.25Å; P576-T578 VanDerWaalsContact O-N 3.11Å
577K58.5Low60.2Low184 Ų184140.9 Ų140.980%0.866%0.659SS**  trans-60.8114.2174.4-70.7179.9178.5176.10109.2K575K575-K577 PolarHBondContact O-N 3.08Å
578T53.5Low59.5Low102 Ų102144.3 Ų144.363%0.62668%0.675SS**  trans-73.8140.417644.20000110.6P576 L580 E581P576-T578 PolarHBondContact O-N 3.25Å; P576-T578 VanDerWaalsContact O-N 3.11Å; T578-L580 PolarHBondContact O-N 2.86Å; T578-E581 PolarHBondContact O-N 3.14Å
579K54.5Low59.2Low188 Ų188142.9 Ų142.982%0.81768%0.684SS**THydrogen-bonded Turntrans-52.1-1.8-176.2-69.3-178174.6-178.80117.1
580L54.8Low58.2Low137 Ų137142.9 Ų142.972%0.71771%0.711SS**THydrogen-bonded Turntrans-80.3-27.3177.1-128.984.2000113.2T578T578-L580 PolarHBondContact O-N 2.86Å
581E55.6Low57.6Low124 Ų124145.7 Ų145.758%0.57973%0.725SS**THydrogen-bonded Turntrans-82.7-24.8-178.8-70-171.916100113.5T578 R585T578-E581 PolarHBondContact O-N 3.14Å; E581-R585 PolarHBondContact O-N 3.34Å
582E54.6Low57.1Low145 Ų145147.7 Ų147.768%0.67873%0.733SS**Hα-helixtrans-73.4-31.4172.8-77.9179.2159.100112.2Q584 R585 Q586E582-Q584 VanDerWaalsContact C-N 3.28Å; E582-Q584 PolarHBondContact O-N 3.42Å; E582-R585 PolarHBondContact O-N 2.79Å; E582-Q586 PolarHBondContact O-N 3.09Å
583S53.6Low56.4Low66 Ų66147.9 Ų147.946%0.46274%0.737SS.*Hα-helixtrans-68.6-23.4175.1174.70000113.5
584Q55Low55.7Low141 Ų141148.6 Ų148.666%0.65974%0.739SS**Hα-helixtrans-90.2-22.5179.1-71-171.1-14.600113E582E582-Q584 VanDerWaalsContact C-N 3.28Å; E582-Q584 PolarHBondContact O-N 3.42Å
585R54.8Low55.2Low215 Ų215152.2 Ų152.281%0.81175%0.75SS**Hα-helixtrans-78.2-24.9172.7-78.3-171.3-178.8-141.4-0.8114E581 E582 R587E581-R585 PolarHBondContact O-N 3.34Å; E582-R585 PolarHBondContact O-N 2.79Å; R585-R587 VanDerWaalsContact C-N 3.34Å
586Q56.4Low54.9Low160 Ų160151.6 Ų151.675%0.74875%0.753SS**THydrogen-bonded Turntrans-79.4-8.2175.7-78.9-178.8-13.600114.6E582E582-Q586 PolarHBondContact O-N 3.09Å
587R55.8Low54.5Low215 Ų215154.4 Ų154.481%0.81176%0.755SS**THydrogen-bonded Turntrans-993176.6-75.5-172.4-176.4-177.62115.2R585R585-R587 VanDerWaalsContact C-N 3.34Å
588Q54.9Low54.2Low175 Ų175152.1 Ų152.182%0.81875%0.751SS**SBendtrans-114.410.1176.9-77.1-172.8-8.700113.9
589V57.8Low54.3Low132 Ų132156.3 Ų156.380%0.876%0.761SS**  trans-132.748172.8-162.70000110.4
590S43.8Very low54.3Low177 Ų177153.4 Ų153.4100%1.23876%0.756SS**  trans-130.10165.4-55.70000108.8

Retrieved 590 of 590 residues in 1396.4 ms (Link to these results)

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