A0A060D7S7_MAIZE Loading...

Duplicated homeodomain-like superfamily protein

AlphaFold DB , UniProt , Accession A0A060D7S7, Species MAIZE (Zea mays, Maize), Gene MYBR29, Length 153 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M37.8Very low52.7Low229 Ų229122.5 Ų122.5100%1.12866%0.663SS**  084.10-65.5-61.6-176.800105.7P3M1-P3 WeakPolarHBondContact O-CD 3.44Å
2D36.2Very low55.1Low153 Ų153118.9 Ų118.982%0.81865%0.654SS**  trans-61.8121.7179.6-73.8-82.2000108.9M4D2-M4 PolarHBondContact O-N 2.91Å
3P45Very low57.5Low117 Ų117111.8 Ų111.876%0.7661%0.613SS**  trans-60.9107.9-177.623.3-31.2000108.5M1 F5M1-P3 WeakPolarHBondContact O-CD 3.44Å; P3-F5 PolarHBondContact O-N 3.31Å; P3-F5 VanDerWaalsContact O-N 3.12Å
4M36.3Very low59.5Low163 Ų163107.6 Ų107.680%0.80359%0.589SS**  trans-46.5114.5176.7-66.8169.862.600110.6D2 S6D2-M4 PolarHBondContact O-N 2.91Å; M4-S6 PolarHBondContact O-N 2.97Å; M4-S6 VanDerWaalsContact O-N 3.08Å
5F36.1Very low61.3Low166 Ų166110.9 Ų110.973%0.72860%0.595SS**  trans39.962146.8-69.3-94.3000114.3P3 S7P3-F5 PolarHBondContact O-N 3.31Å; P3-F5 VanDerWaalsContact O-N 3.12Å; F5-S7 PolarHBondContact O-N 2.91Å
6S40.1Very low62.9Low87 Ų87109.8 Ų109.861%0.60859%0.586SS**  trans-64.791.7154.137.50000106.4M4 E8M4-S6 PolarHBondContact O-N 2.97Å; M4-S6 VanDerWaalsContact O-N 3.08Å; S6-E8 PolarHBondContact O-N 3.25Å
7S50Low64.2Low70 Ų70103.3 Ų103.349%0.4955%0.552SS.*  trans-65.853.7169.41770000110.1F5 W9F5-S7 PolarHBondContact O-N 2.91Å; S7-W9 PolarHBondContact O-N 3.08Å
8E61.4Low65.4Low161 Ų161100.8 Ų100.875%0.75254%0.535SS*.  trans-89.187.9167.4-65.8-173101.300105.3S6 S10S6-E8 PolarHBondContact O-N 3.25Å; E8-S10 PolarHBondContact O-N 3.16Å
9W75.8Confident66.4Low28 Ų2899.7 Ų99.711%0.10654%0.536CS..  trans-55.8123.6163.9-70.393000107.9S7 E13 I14 F52 K55 V60 L63S7-W9 PolarHBondContact O-N 3.08Å; W9-E13 HydrophobicContact CE3-CB 3.61Å; W9-E13 HydrophobicContact CE3-CG 4.31Å; W9-E13 HydrophobicContact CZ3-CB 4.14Å; W9-I14 HydrophobicContact CB-CD1 3.93Å; W9-I14 HydrophobicContact CB-CG1 3.48Å; W9-I14 VanDerWaalsContact CB-CG1 3.48Å; W9-I14 WeakPolarHBondContact O-CD1 3.44Å; W9-F52 HydrophobicContact CH2-CB 4.33Å; W9-F52 AromaticContact CH2-CD2 3.69Å; W9-F52 HydrophobicContact CH2-CD2 3.69Å; W9-F52 HydrophobicContact CH2-CE2 4.23Å; W9-F52 HydrophobicContact CH2-CG 4.04Å; W9-F52 HydrophobicContact CZ3-CB 4.36Å; W9-F52 HydrophobicContact CZ3-CD1 4.1Å; W9-F52 AromaticContact CZ3-CD2 3.45Å; W9-F52 HydrophobicContact CZ3-CD2 3.45Å; W9-F52 VanDerWaalsContact CZ3-CD2 3.45Å; W9-F52 HydrophobicContact CZ3-CE1 4.3Å; W9-F52 AromaticContact CZ3-CE2 3.65Å; W9-F52 HydrophobicContact CZ3-CE2 3.65Å; W9-F52 AromaticContact CZ3-CG 3.68Å; W9-F52 HydrophobicContact CZ3-CG 3.68Å; W9-F52 HydrophobicContact CZ3-CZ 4.08Å; W9-K55 HydrophobicContact CD2-CD 4.19Å; W9-K55 HydrophobicContact CE3-CD 3.77Å; W9-K55 VanDerWaalsContact CE3-NZ 3.28Å; W9-K55 HydrophobicContact CH2-CD 3.09Å; W9-K55 HydrophobicContact CH2-CG 4.45Å; W9-K55 HydrophobicContact CZ2-CD 3.48Å; W9-K55 VanDerWaalsContact CZ2-CD 3.48Å; W9-K55 HydrophobicContact CZ3-CD 3.24Å; W9-V60 HydrophobicContact CH2-CG2 4.25Å; W9-V60 HydrophobicContact CZ2-CG2 4.5Å; W9-L63 HydrophobicContact CD2-CB 4.45Å; W9-L63 HydrophobicContact CD2-CD1 4.1Å; W9-L63 HydrophobicContact CD2-CD2 3.72Å; W9-L63 HydrophobicContact CD2-CG 4.31Å; W9-L63 HydrophobicContact CE3-CD2 3.68Å; W9-L63 HydrophobicContact CG-CD1 4.05Å; W9-L63 HydrophobicContact CG-CD2 4.5Å; W9-L63 HydrophobicContact CH2-CB 4.25Å; W9-L63 HydrophobicContact CH2-CD2 3.35Å; W9-L63 HydrophobicContact CH2-CG 4.38Å; W9-L63 HydrophobicContact CZ2-CB 3.55Å; W9-L63 HydrophobicContact CZ2-CD2 3.49Å; W9-L63 VanDerWaalsContact CZ2-CD2 3.49Å; W9-L63 HydrophobicContact CZ2-CG 4.06Å; W9-L63 HydrophobicContact CZ3-CD2 3.47Å; W9-L63 VanDerWaalsContact CZ3-CD2 3.47Å
10S81.4Confident67.4Low49 Ų4996.5 Ų96.534%0.34352%0.519SS..  trans-61.5149.3174.262.20000109.6E8 S12 E13 I14E8-S10 PolarHBondContact O-N 3.16Å; S10-S12 PolarHBondContact O-N 3.08Å; S10-S12 PolarHBondContact OG-OG 3.42Å; S10-E13 WeakPolarHBondContact CB-OE2 3.18Å; S10-E13 PolarHBondContact N-OE2 3.17Å; S10-E13 WeakPolarHBondContact O-CA 3.44Å; S10-E13 WeakPolarHBondContact O-CB 3.45Å; S10-E13 PolarHBondContact O-N 3.04Å; S10-E13 WeakPolarHBondContact OG-CG 3.41Å; S10-E13 PolarHBondContact OG-OE2 3.12Å; S10-I14 PolarHBondContact O-N 3.13Å
11V79.9Confident68.2Low124 Ų12491.9 Ų91.975%0.75249%0.494SS*.Hα-helixtrans-52.8-34.8-178.6178.90000111.7K15V11-K15 VanDerWaalsContact O-CB 3.23Å; V11-K15 WeakPolarHBondContact O-CB 3.31Å; V11-K15 PolarHBondContact O-N 2.64Å
12S81.6Confident70.3Confident80 Ų8082.4 Ų82.456%0.55945%0.452SS*.Hα-helixtrans-63.9-42.4173.538.30000113.7S10 M16S10-S12 PolarHBondContact O-N 3.08Å; S10-S12 PolarHBondContact OG-OG 3.42Å; S12-M16 WeakPolarHBondContact O-CB 3.33Å; S12-M16 PolarHBondContact O-N 2.89Å
13E86.2Confident72.3Confident27 Ų2778.4 Ų78.413%0.12644%0.436CS..Hα-helixtrans-70.3-43179.6-64.3165.811900110.8W9 S10 K15 M16 A17 F52 K55W9-E13 HydrophobicContact CE3-CB 3.61Å; W9-E13 HydrophobicContact CE3-CG 4.31Å; W9-E13 HydrophobicContact CZ3-CB 4.14Å; S10-E13 WeakPolarHBondContact CB-OE2 3.18Å; S10-E13 PolarHBondContact N-OE2 3.17Å; S10-E13 WeakPolarHBondContact O-CA 3.44Å; S10-E13 WeakPolarHBondContact O-CB 3.45Å; S10-E13 PolarHBondContact O-N 3.04Å; S10-E13 WeakPolarHBondContact OG-CG 3.41Å; S10-E13 PolarHBondContact OG-OE2 3.12Å; E13-K15 PolarHBondContact O-N 2.9Å; E13-M16 PolarHBondContact O-N 3.18Å; E13-A17 WeakPolarHBondContact O-CB 3.48Å; E13-A17 PolarHBondContact O-N 2.98Å; E13-F52 HydrophobicContact CB-CE1 3.93Å; E13-F52 HydrophobicContact CB-CZ 3.88Å; E13-F52 HydrophobicContact CG-CD1 4.33Å; E13-F52 HydrophobicContact CG-CE1 3.61Å; E13-F52 HydrophobicContact CG-CZ 4.1Å; E13-K55 VanDerWaalsContact CD-NZ 3.35Å; E13-K55 WeakPolarHBondContact OE1-CE 3.26Å; E13-K55 IonicContact OE1-NZ 2.96Å; E13-K55 PolarHBondContact OE1-NZ 3.41Å; E13-K55 IonicContact OE2-NZ 2.6Å; E13-K55 PolarHBondContact OE2-NZ 2.68Å
14I85Confident73.5Confident52 Ų5276.6 Ų76.627%0.26741%0.414SS..Hα-helixtrans-57.7-50173.9-63.1179.7000109.6W9 S10 M16 A17 K18 L67W9-I14 HydrophobicContact CB-CD1 3.93Å; W9-I14 HydrophobicContact CB-CG1 3.48Å; W9-I14 VanDerWaalsContact CB-CG1 3.48Å; W9-I14 WeakPolarHBondContact O-CD1 3.44Å; S10-I14 PolarHBondContact O-N 3.13Å; I14-M16 PolarHBondContact O-N 3.25Å; I14-A17 PolarHBondContact O-N 3.5Å; I14-K18 HydrophobicContact CG2-CD 3.99Å; I14-K18 VanDerWaalsContact CG2-CE 3.47Å; I14-K18 HydrophobicContact CG2-CG 4.39Å; I14-K18 WeakPolarHBondContact O-CB 3.44Å; I14-K18 VanDerWaalsContact O-CG 3.29Å; I14-K18 WeakPolarHBondContact O-CG 3.37Å; I14-K18 PolarHBondContact O-N 3.37Å; I14-L67 HydrophobicContact CG2-CD2 4.03Å
15K86.3Confident75.1Confident157 Ų15772.9 Ų72.968%0.68340%0.398SS*.Hα-helixtrans-61.8-41.9-179.9-174.3175.5-178.7175.80112.3V11 E13 S19V11-K15 VanDerWaalsContact O-CB 3.23Å; V11-K15 WeakPolarHBondContact O-CB 3.31Å; V11-K15 PolarHBondContact O-N 2.64Å; E13-K15 PolarHBondContact O-N 2.9Å; K15-S19 WeakPolarHBondContact O-CB 3.32Å; K15-S19 PolarHBondContact O-N 3.31Å
16M87.2Confident76.5Confident93 Ų9370.4 Ų70.446%0.45840%0.396SS..Hα-helixtrans-63.8-46.7176.5-177.5-176.3-63.700111.6S12 E13 I14 S19 L20 F52S12-M16 WeakPolarHBondContact O-CB 3.33Å; S12-M16 PolarHBondContact O-N 2.89Å; E13-M16 PolarHBondContact O-N 3.18Å; I14-M16 PolarHBondContact O-N 3.25Å; M16-S19 WeakPolarHBondContact O-CB 3.45Å; M16-S19 PolarHBondContact O-N 3.42Å; M16-L20 PolarHBondContact O-N 3.46Å; M16-F52 HydrophobicContact SD-CE1 4.5Å; M16-F52 HydrophobicContact SD-CZ 4.03Å
17A85.3Confident77.1Confident0 Ų070.6 Ų70.60%040%0.398CS..Hα-helixtrans-63.7-43.217800000111.7E13 I14 S19 L20 I21 L48 L63 L67E13-A17 WeakPolarHBondContact O-CB 3.48Å; E13-A17 PolarHBondContact O-N 2.98Å; I14-A17 PolarHBondContact O-N 3.5Å; A17-S19 VanDerWaalsContact C-N 3.32Å; A17-S19 PolarHBondContact O-N 3.36Å; A17-L20 PolarHBondContact O-N 2.82Å; A17-I21 VanDerWaalsContact O-CG1 3.26Å; A17-I21 WeakPolarHBondContact O-CG1 3.48Å; A17-I21 PolarHBondContact O-N 3.34Å; A17-L48 HydrophobicContact CB-CD2 3.47Å; A17-L48 VanDerWaalsContact CB-CD2 3.47Å; A17-L63 HydrophobicContact CB-CD2 3.56Å; A17-L63 HydrophobicContact CB-CG 4.39Å; A17-L67 HydrophobicContact CB-CD1 3.4Å; A17-L67 VanDerWaalsContact CB-CD1 3.4Å
18K85.4Confident77.2Confident59 Ų5969.8 Ų69.826%0.25739%0.392SS..Hα-helixtrans-55.9-47.4172.1-76.4179.8-178.7-171.90111.1I14 L20 I21 A22 L67 E70I14-K18 HydrophobicContact CG2-CD 3.99Å; I14-K18 VanDerWaalsContact CG2-CE 3.47Å; I14-K18 HydrophobicContact CG2-CG 4.39Å; I14-K18 WeakPolarHBondContact O-CB 3.44Å; I14-K18 VanDerWaalsContact O-CG 3.29Å; I14-K18 WeakPolarHBondContact O-CG 3.37Å; I14-K18 PolarHBondContact O-N 3.37Å; K18-L20 VanDerWaalsContact C-N 3.34Å; K18-L20 PolarHBondContact O-N 2.94Å; K18-I21 PolarHBondContact O-N 3.33Å; K18-A22 VanDerWaalsContact O-CB 3.26Å; K18-A22 WeakPolarHBondContact O-CB 3.24Å; K18-A22 PolarHBondContact O-N 3.16Å; K18-L67 HydrophobicContact CD-CD2 3.95Å; K18-L67 HydrophobicContact CG-CD1 3.92Å; K18-L67 HydrophobicContact CG-CD2 3.43Å; K18-L67 VanDerWaalsContact CG-CD2 3.43Å; K18-L67 HydrophobicContact CG-CG 4.18Å; K18-E70 WeakPolarHBondContact CE-OE1 3.49Å; K18-E70 IonicContact NZ-OE1 3.11Å; K18-E70 PolarHBondContact NZ-OE1 3.24Å; K18-E70 IonicContact NZ-OE2 3.84Å; K18-E70 PolarHBondContact NZ-OE2 3.25Å
19S85.4Confident76.6Confident79 Ų7968.7 Ų68.755%0.55239%0.391SS*.Hα-helixtrans-61-39.5178.2-176.90000112.6K15 M16 A17 S23K15-S19 WeakPolarHBondContact O-CB 3.32Å; K15-S19 PolarHBondContact O-N 3.31Å; M16-S19 WeakPolarHBondContact O-CB 3.45Å; M16-S19 PolarHBondContact O-N 3.42Å; A17-S19 VanDerWaalsContact C-N 3.32Å; A17-S19 PolarHBondContact O-N 3.36Å; S19-S23 WeakPolarHBondContact O-CB 3.5Å; S19-S23 PolarHBondContact O-N 2.98Å
20L85.9Confident75.3Confident35 Ų3575.3 Ų75.318%0.18343%0.428CS..Hα-helixtrans-65.1-45.2175.5-77.3166.9000112.7M16 A17 K18 S23 R24 E47 L48 R51M16-L20 PolarHBondContact O-N 3.46Å; A17-L20 PolarHBondContact O-N 2.82Å; K18-L20 VanDerWaalsContact C-N 3.34Å; K18-L20 PolarHBondContact O-N 2.94Å; L20-S23 PolarHBondContact O-N 3.44Å; L20-R24 PolarHBondContact O-N 3.38Å; L20-E47 HydrophobicContact CD1-CG 4.35Å; L20-E47 HydrophobicContact CD2-CG 4.16Å; L20-L48 HydrophobicContact CD1-CD2 3.92Å; L20-R51 HydrophobicContact CD1-CG 3.94Å
21I83.8Confident73.7Confident0 Ų076.3 Ų76.30%044%0.439CS..Hα-helixtrans-64.3-48.4178.6-62.4165.8000109.8A17 K18 S23 R24 N25 I44 Y64 L67 T68 M71A17-I21 VanDerWaalsContact O-CG1 3.26Å; A17-I21 WeakPolarHBondContact O-CG1 3.48Å; A17-I21 PolarHBondContact O-N 3.34Å; K18-I21 PolarHBondContact O-N 3.33Å; I21-S23 PolarHBondContact O-N 3.45Å; I21-R24 PolarHBondContact O-N 3.45Å; I21-N25 PolarHBondContact O-N 3.35Å; I21-I44 HydrophobicContact CG1-CG2 3.97Å; I21-Y64 HydrophobicContact CD1-CD2 3.71Å; I21-Y64 HydrophobicContact CD1-CE2 4.06Å; I21-Y64 HydrophobicContact CG1-CD2 3.88Å; I21-Y64 HydrophobicContact CG1-CE2 3.87Å; I21-Y64 HydrophobicContact CG2-CE2 4.36Å; I21-L67 HydrophobicContact CD1-CB 3.41Å; I21-L67 VanDerWaalsContact CD1-CB 3.41Å; I21-L67 HydrophobicContact CD1-CD1 3.62Å; I21-L67 HydrophobicContact CD1-CG 4.16Å; I21-T68 HydrophobicContact CD1-CG2 4.46Å; I21-T68 HydrophobicContact CG2-CG2 3.79Å; I21-M71 HydrophobicContact CB-SD 4.04Å; I21-M71 HydrophobicContact CG2-SD 3.66Å
22A82Confident72.5Confident30 Ų3075.7 Ų75.725%0.24844%0.44CS..Hα-helixtrans-58.3-46.7177.200000111.9K18 R24 N25 T26 M71K18-A22 VanDerWaalsContact O-CB 3.26Å; K18-A22 WeakPolarHBondContact O-CB 3.24Å; K18-A22 PolarHBondContact O-N 3.16Å; A22-R24 VanDerWaalsContact C-N 3.26Å; A22-R24 PolarHBondContact O-N 2.88Å; A22-N25 PolarHBondContact O-N 3.37Å; A22-T26 PolarHBondContact O-N 3.48Å; A22-T26 PolarHBondContact O-OG1 3.16Å; A22-T26 VanDerWaalsContact O-OG1 3.06Å; A22-M71 HydrophobicContact CB-CE 3.51Å; A22-M71 HydrophobicContact CB-SD 4.3Å
23S78Confident71.1Confident70 Ų7077.3 Ų77.349%0.4944%0.443SS..Hα-helixtrans-55.5-40.6178.2177.80000112.3S19 L20 I21 S27S19-S23 WeakPolarHBondContact O-CB 3.5Å; S19-S23 PolarHBondContact O-N 2.98Å; L20-S23 PolarHBondContact O-N 3.44Å; I21-S23 PolarHBondContact O-N 3.45Å; S23-S27 WeakPolarHBondContact O-CB 3.39Å; S23-S27 PolarHBondContact O-N 3.05Å; S23-S27 PolarHBondContact O-OG 2.74Å
24R71.3Confident69.8Low79 Ų7982.6 Ų82.630%0.29847%0.472SS..Hα-helixtrans-80.4-30178.8-84.6134.678.6106.75.9114.6L20 I21 A22 S27 D43 I44L20-R24 PolarHBondContact O-N 3.38Å; I21-R24 PolarHBondContact O-N 3.45Å; A22-R24 VanDerWaalsContact C-N 3.26Å; A22-R24 PolarHBondContact O-N 2.88Å; R24-S27 PolarHBondContact O-N 2.81Å; R24-D43 PolarHBondContact NH2-O 3Å; R24-I44 HydrophobicContact CB-CD1 4.41Å; R24-I44 HydrophobicContact CB-CG1 4.45Å; R24-I44 VanDerWaalsContact NH2-CG1 3.34Å
25N69Low68.4Low85 Ų8586.2 Ų86.246%0.45549%0.492SS..Hα-helixtrans-67.1-42.3172.7-72.6-6.8000111.4I21 A22 S27I21-N25 PolarHBondContact O-N 3.35Å; A22-N25 PolarHBondContact O-N 3.37Å; N25-S27 VanDerWaalsContact C-N 3.26Å; N25-S27 PolarHBondContact O-N 2.91Å
26T64.8Low67.2Low113 Ų11380.3 Ų80.369%0.69347%0.472SS*.Hα-helixtrans-65.4-30.4176.5-53.90000112.5A22 S28A22-T26 PolarHBondContact O-N 3.48Å; A22-T26 PolarHBondContact O-OG1 3.16Å; A22-T26 VanDerWaalsContact O-OG1 3.06Å; T26-S28 VanDerWaalsContact C-N 3.32Å; T26-S28 PolarHBondContact O-N 2.65Å
27S53.3Low66.1Low92 Ų9278.2 Ų78.264%0.64347%0.467SS*.THydrogen-bonded Turntrans-75.8-13.5-173.5-60.80000114.6S23 R24 N25S23-S27 WeakPolarHBondContact O-CB 3.39Å; S23-S27 PolarHBondContact O-N 3.05Å; S23-S27 PolarHBondContact O-OG 2.74Å; R24-S27 PolarHBondContact O-N 2.81Å; N25-S27 VanDerWaalsContact C-N 3.26Å; N25-S27 PolarHBondContact O-N 2.91Å
28S51.5Low65.1Low52 Ų5283.7 Ų83.736%0.36450%0.496SS..  trans-104.175.718083.80000112.4T26 K40T26-S28 VanDerWaalsContact C-N 3.32Å; T26-S28 PolarHBondContact O-N 2.65Å; S28-K40 VanDerWaalsContact CB-NZ 3.32Å; S28-K40 PolarHBondContact OG-NZ 3.01Å
29N49.7Very low64.5Low139 Ų13987 Ų8774%0.74351%0.511SS*.  trans-81.1141.6139.6-70.6-58.7000106.3
30L48.2Very low64Low166 Ų16686.8 Ų86.887%0.86950%0.499SS*.SBendtrans97.8122174.8-47169.6000116
31A48.6Very low63.7Low70 Ų7089.2 Ų89.258%0.57951%0.51SS*.  trans65.891.7167.300000117.2D33A31-D33 PolarHBondContact O-N 2.67Å
32S54.8Low63.5Low112 Ų11292.3 Ų92.378%0.78353%0.531SS*.  trans-73.769.4161.7-171.40000109.6
33D52.2Low63.6Low113 Ų11394.1 Ų94.160%0.60454%0.537SS*.  trans-87.3120.3158.2-73.3-56.9000106.7A31 D35 A36A31-D33 PolarHBondContact O-N 2.67Å; D33-D35 PolarHBondContact O-N 2.73Å; D33-A36 WeakPolarHBondContact O-CB 3.44Å; D33-A36 PolarHBondContact O-N 3.01Å
34D57.9Low64Low139 Ų13991 Ų9174%0.74351%0.514SS*.Hα-helixtrans-52.1-26.3-173.7-69.6-68.8000113.8
35D56.9Low64.6Low128 Ų12888.4 Ų88.468%0.68451%0.507SS*.Hα-helixtrans-66.9-35.1176.8-170.366.9000113D33 S37 N38 K39D33-D35 PolarHBondContact O-N 2.73Å; D35-S37 VanDerWaalsContact C-N 3.32Å; D35-S37 PolarHBondContact O-N 3.35Å; D35-N38 PolarHBondContact O-N 3.31Å; D35-K39 PolarHBondContact O-N 3.48Å
36A59.6Low65.5Low33 Ų3389 Ų8927%0.27351%0.51SS..Hα-helixtrans-67.3-32.4-175.300000112.3D33 K39 K40D33-A36 WeakPolarHBondContact O-CB 3.44Å; D33-A36 PolarHBondContact O-N 3.01Å; A36-K39 PolarHBondContact O-N 3.19Å; A36-K40 WeakPolarHBondContact O-CG 3.47Å; A36-K40 PolarHBondContact O-N 3.46Å
37S64.3Low66.6Low48 Ų4886.1 Ų86.134%0.33649%0.489SS..Hα-helixtrans-64.5-46-179.6-640000111.8D35 K39 K40 H41D35-S37 VanDerWaalsContact C-N 3.32Å; D35-S37 PolarHBondContact O-N 3.35Å; S37-K39 VanDerWaalsContact C-N 3.31Å; S37-K39 PolarHBondContact O-N 2.95Å; S37-K40 WeakPolarHBondContact O-CB 3.45Å; S37-K40 PolarHBondContact O-N 3.4Å; S37-H41 PolarHBondContact O-CD2 3.14Å; S37-H41 PolarHBondContact O-N 3.39Å; S37-H41 VanDerWaalsContact O-N 3.09Å
38N64Low68.2Low115 Ų11581.8 Ų81.862%0.61546%0.459SS*.Hα-helixtrans-63.2-39.7176.9-66.3-35.8000111.6D35 H41 S42D35-N38 PolarHBondContact O-N 3.31Å; N38-H41 PolarHBondContact O-N 3.16Å; N38-S42 PolarHBondContact O-N 2.86Å; N38-S42 VanDerWaalsContact O-N 3.1Å
39K73.9Confident69.9Low130 Ų13081 Ų8157%0.56545%0.449SS*.Hα-helixtrans-63.4-44.1175-175.4170-179.5167.80112.2D35 A36 S37 H41 S42 D43D35-K39 PolarHBondContact O-N 3.48Å; A36-K39 PolarHBondContact O-N 3.19Å; S37-K39 VanDerWaalsContact C-N 3.31Å; S37-K39 PolarHBondContact O-N 2.95Å; K39-H41 VanDerWaalsContact C-N 3.32Å; K39-H41 PolarHBondContact O-N 2.94Å; K39-S42 PolarHBondContact O-N 2.92Å; K39-D43 VanDerWaalsContact O-CG 3.29Å; K39-D43 PolarHBondContact O-N 3.17Å
40K75Confident71.7Confident73 Ų7377.5 Ų77.532%0.31744%0.44SS..Hα-helixtrans-56.4-46.4176-72.7168.2-168-179.90111.4S28 A36 S37 D43 I44S28-K40 VanDerWaalsContact CB-NZ 3.32Å; S28-K40 PolarHBondContact OG-NZ 3.01Å; A36-K40 WeakPolarHBondContact O-CG 3.47Å; A36-K40 PolarHBondContact O-N 3.46Å; S37-K40 WeakPolarHBondContact O-CB 3.45Å; S37-K40 PolarHBondContact O-N 3.4Å; K40-D43 PolarHBondContact O-N 2.83Å; K40-I44 WeakPolarHBondContact O-CD1 3.45Å; K40-I44 WeakPolarHBondContact O-CG1 3.04Å; K40-I44 PolarHBondContact O-N 2.97Å
41H78.1Confident73.5Confident87 Ų8775.6 Ų75.640%0.40342%0.421SS..Hα-helixtrans-59.9-48.3178.4-63.3-52.2000111.1S37 N38 K39 I44 V45 Y64S37-H41 PolarHBondContact O-CD2 3.14Å; S37-H41 PolarHBondContact O-N 3.39Å; S37-H41 VanDerWaalsContact O-N 3.09Å; N38-H41 PolarHBondContact O-N 3.16Å; K39-H41 VanDerWaalsContact C-N 3.32Å; K39-H41 PolarHBondContact O-N 2.94Å; H41-I44 PolarHBondContact O-N 3.21Å; H41-V45 WeakPolarHBondContact O-CG2 3.25Å; H41-V45 PolarHBondContact O-N 2.85Å; H41-V45 VanDerWaalsContact O-N 3.11Å; H41-Y64 HydrophobicContact CB-CE1 4.15Å; H41-Y64 AromaticContact ND1-CE1 3.76Å; H41-Y64 AromaticContact ND1-CZ 3.63Å; H41-Y64 PolarHBondContact ND1-OH 3.15Å
42S80.9Confident75.3Confident65 Ų6572.5 Ų72.546%0.45540%0.395SS..Hα-helixtrans-58.6-50.5176.9-168.30000111.7N38 K39 I44 V45 D46N38-S42 PolarHBondContact O-N 2.86Å; N38-S42 VanDerWaalsContact O-N 3.1Å; K39-S42 PolarHBondContact O-N 2.92Å; S42-I44 PolarHBondContact O-N 2.84Å; S42-V45 PolarHBondContact O-N 3.22Å; S42-D46 PolarHBondContact O-N 3.24Å
43D84.4Confident76.4Confident68 Ų6871.3 Ų71.336%0.36439%0.385SS..Hα-helixtrans-61.4-32.5-178.4-67.3-27.1000110.9R24 K39 K40 E47R24-D43 PolarHBondContact NH2-O 3Å; K39-D43 VanDerWaalsContact O-CG 3.29Å; K39-D43 PolarHBondContact O-N 3.17Å; K40-D43 PolarHBondContact O-N 2.83Å; D43-E47 WeakPolarHBondContact O-CB 3.41Å; D43-E47 PolarHBondContact O-N 3.1Å; D43-E47 VanDerWaalsContact O-N 3.08Å
44I84.9Confident78Confident3 Ų374.6 Ų74.62%0.01539%0.389CS..Hα-helixtrans-72.7-43-178.6-68.9158.7000108.9I21 R24 K40 H41 S42 D46 E47 L48 Y64I21-I44 HydrophobicContact CG1-CG2 3.97Å; R24-I44 HydrophobicContact CB-CD1 4.41Å; R24-I44 HydrophobicContact CB-CG1 4.45Å; R24-I44 VanDerWaalsContact NH2-CG1 3.34Å; K40-I44 WeakPolarHBondContact O-CD1 3.45Å; K40-I44 WeakPolarHBondContact O-CG1 3.04Å; K40-I44 PolarHBondContact O-N 2.97Å; H41-I44 PolarHBondContact O-N 3.21Å; S42-I44 PolarHBondContact O-N 2.84Å; I44-D46 VanDerWaalsContact C-N 3.32Å; I44-D46 PolarHBondContact O-N 3.01Å; I44-E47 WeakPolarHBondContact O-CB 3.47Å; I44-E47 PolarHBondContact O-N 3.37Å; I44-L48 HydrophobicContact CG2-CD1 3.92Å; I44-L48 HydrophobicContact CG2-CG 4.21Å; I44-L48 VanDerWaalsContact O-CG 3.3Å; I44-L48 WeakPolarHBondContact O-CG 3.5Å; I44-L48 PolarHBondContact O-N 2.96Å; I44-Y64 HydrophobicContact CB-CD2 4.24Å; I44-Y64 HydrophobicContact CB-CE2 3.78Å; I44-Y64 HydrophobicContact CD1-CE2 3.74Å; I44-Y64 VanDerWaalsContact CD1-OH 3.31Å; I44-Y64 WeakPolarHBondContact CD1-OH 3.31Å; I44-Y64 HydrophobicContact CG1-CE2 4.3Å; I44-Y64 HydrophobicContact CG2-CD2 3.47Å; I44-Y64 VanDerWaalsContact CG2-CD2 3.47Å; I44-Y64 HydrophobicContact CG2-CE2 3.33Å; I44-Y64 HydrophobicContact CG2-CG 4.5Å
45V85.6Confident79.2Confident25 Ų2569.5 Ų69.515%0.15236%0.36CS..Hα-helixtrans-61.4-43.7176.9171.30000110.4H41 S42 E47 L48 Q49 I61 Y64H41-V45 WeakPolarHBondContact O-CG2 3.25Å; H41-V45 PolarHBondContact O-N 2.85Å; H41-V45 VanDerWaalsContact O-N 3.11Å; S42-V45 PolarHBondContact O-N 3.22Å; V45-E47 VanDerWaalsContact C-N 3.33Å; V45-E47 PolarHBondContact O-N 3.41Å; V45-L48 PolarHBondContact O-N 2.58Å; V45-Q49 VanDerWaalsContact O-CB 3.26Å; V45-Q49 WeakPolarHBondContact O-CB 3.08Å; V45-Q49 PolarHBondContact O-N 2.79Å; V45-I61 HydrophobicContact CG1-CD1 4.46Å; V45-I61 HydrophobicContact CG1-CG1 3.6Å; V45-I61 HydrophobicContact CG2-CG1 4.46Å; V45-Y64 HydrophobicContact CG2-CD1 3.73Å; V45-Y64 HydrophobicContact CG2-CE1 4.38Å; V45-Y64 HydrophobicContact CG2-CG 3.93Å
46D87.4Confident80.3Confident97 Ų9765 Ų6552%0.51934%0.343SS..Hα-helixtrans-63-40177-74-38000111.9S42 I44 Q49 A50S42-D46 PolarHBondContact O-N 3.24Å; I44-D46 VanDerWaalsContact C-N 3.32Å; I44-D46 PolarHBondContact O-N 3.01Å; D46-Q49 PolarHBondContact O-N 3.25Å; D46-A50 WeakPolarHBondContact O-CB 3.47Å; D46-A50 PolarHBondContact O-N 2.8Å
47E87.9Confident81.1Confident54 Ų5470.6 Ų70.625%0.25236%0.361SS..Hα-helixtrans-64-48.8174.5-174.966.9-15000111.5L20 D43 I44 V45 Q49 A50 R51L20-E47 HydrophobicContact CD1-CG 4.35Å; L20-E47 HydrophobicContact CD2-CG 4.16Å; D43-E47 WeakPolarHBondContact O-CB 3.41Å; D43-E47 PolarHBondContact O-N 3.1Å; D43-E47 VanDerWaalsContact O-N 3.08Å; I44-E47 WeakPolarHBondContact O-CB 3.47Å; I44-E47 PolarHBondContact O-N 3.37Å; V45-E47 VanDerWaalsContact C-N 3.33Å; V45-E47 PolarHBondContact O-N 3.41Å; E47-Q49 PolarHBondContact O-N 3.21Å; E47-A50 CarbonylContact O-C 3.41Å; E47-A50 WeakPolarHBondContact O-CA 3.45Å; E47-A50 WeakPolarHBondContact O-CB 3.37Å; E47-A50 PolarHBondContact O-N 2.85Å; E47-A50 VanDerWaalsContact O-N 3.07Å; E47-R51 VanDerWaalsContact O-CG 3.29Å; E47-R51 WeakPolarHBondContact O-CG 3.23Å; E47-R51 PolarHBondContact O-N 3.42Å; E47-R51 IonicContact OE1-CZ 2.77Å; E47-R51 IonicContact OE1-NE 2.56Å; E47-R51 PolarHBondContact OE1-NE 3.13Å; E47-R51 VanDerWaalsContact OE1-NE 3.11Å; E47-R51 IonicContact OE1-NH1 2.9Å; E47-R51 IonicContact OE1-NH2 3.35Å; E47-R51 PolarHBondContact OE1-NH2 3.27Å
48L87.4Confident81.7Confident0 Ų075.6 Ų75.60%038%0.379CS..Hα-helixtrans-60.2-38175.9-69170.7000111.2A17 L20 I44 V45 A50 R51 F52 V60 Y64A17-L48 HydrophobicContact CB-CD2 3.47Å; A17-L48 VanDerWaalsContact CB-CD2 3.47Å; L20-L48 HydrophobicContact CD1-CD2 3.92Å; I44-L48 HydrophobicContact CG2-CD1 3.92Å; I44-L48 HydrophobicContact CG2-CG 4.21Å; I44-L48 VanDerWaalsContact O-CG 3.3Å; I44-L48 WeakPolarHBondContact O-CG 3.5Å; I44-L48 PolarHBondContact O-N 2.96Å; V45-L48 PolarHBondContact O-N 2.58Å; L48-A50 VanDerWaalsContact C-N 3.34Å; L48-R51 PolarHBondContact O-N 3.1Å; L48-F52 HydrophobicContact CD2-CE2 4.35Å; L48-F52 WeakPolarHBondContact O-CD2 3.34Å; L48-F52 PolarHBondContact O-N 2.95Å; L48-V60 HydrophobicContact CB-CG1 3.4Å; L48-V60 HydrophobicContact CD1-CG1 4.45Å; L48-Y64 HydrophobicContact CD1-CD2 3.93Å; L48-Y64 HydrophobicContact CD1-CG 4.28Å
49Q86.7Confident82.3Confident35 Ų3572.2 Ų72.216%0.16436%0.36CS..Hα-helixtrans-67-36.5175.6-174.964.364.200111.6V45 D46 E47 R51 F52 P53 K55 K57 V60V45-Q49 VanDerWaalsContact O-CB 3.26Å; V45-Q49 WeakPolarHBondContact O-CB 3.08Å; V45-Q49 PolarHBondContact O-N 2.79Å; D46-Q49 PolarHBondContact O-N 3.25Å; E47-Q49 PolarHBondContact O-N 3.21Å; Q49-R51 VanDerWaalsContact C-N 3.33Å; Q49-F52 PolarHBondContact NE2-O 2.94Å; Q49-F52 CarbonylContact O-C 3.58Å; Q49-F52 VanDerWaalsContact O-C 3.22Å; Q49-F52 PolarHBondContact O-N 3.17Å; Q49-P53 VanDerWaalsContact O-CA 3.28Å; Q49-P53 WeakPolarHBondContact O-CA 3.26Å; Q49-K55 PolarHBondContact NE2-O 2.6Å; Q49-K55 VanDerWaalsContact NE2-O 3.17Å; Q49-K57 VanDerWaalsContact OE1-CA 3.24Å; Q49-V60 HydrophobicContact CB-CG1 4.35Å
50A87.8Confident82.7Confident67 Ų6766 Ų6655%0.55433%0.333SS*.Hα-helixtrans-69.2-30.5173.800000112.4D46 E47 L48D46-A50 WeakPolarHBondContact O-CB 3.47Å; D46-A50 PolarHBondContact O-N 2.8Å; E47-A50 CarbonylContact O-C 3.41Å; E47-A50 WeakPolarHBondContact O-CA 3.45Å; E47-A50 WeakPolarHBondContact O-CB 3.37Å; E47-A50 PolarHBondContact O-N 2.85Å; E47-A50 VanDerWaalsContact O-N 3.07Å; L48-A50 VanDerWaalsContact C-N 3.34Å
51R85.6Confident83.1Confident125 Ų12566.1 Ų66.147%0.47234%0.336SS..Hα-helixtrans-75.4-34173.3-62.6-65.9172.3-133.12.2112.6L20 E47 L48 Q49 P53 W54L20-R51 HydrophobicContact CD1-CG 3.94Å; E47-R51 VanDerWaalsContact O-CG 3.29Å; E47-R51 WeakPolarHBondContact O-CG 3.23Å; E47-R51 PolarHBondContact O-N 3.42Å; E47-R51 IonicContact OE1-CZ 2.77Å; E47-R51 IonicContact OE1-NE 2.56Å; E47-R51 PolarHBondContact OE1-NE 3.13Å; E47-R51 VanDerWaalsContact OE1-NE 3.11Å; E47-R51 IonicContact OE1-NH1 2.9Å; E47-R51 IonicContact OE1-NH2 3.35Å; E47-R51 PolarHBondContact OE1-NH2 3.27Å; L48-R51 PolarHBondContact O-N 3.1Å; Q49-R51 VanDerWaalsContact C-N 3.33Å; R51-P53 WeakPolarHBondContact O-CD 3.47Å; R51-W54 WeakPolarHBondContact O-CH2 2.95Å
52F85.1Confident83.3Confident6 Ų662.5 Ų62.53%0.02632%0.322CS..  trans-125.161-178.2-49.5-66.6000112.1W9 E13 M16 L48 Q49 W54 K55W9-F52 HydrophobicContact CH2-CB 4.33Å; W9-F52 AromaticContact CH2-CD2 3.69Å; W9-F52 HydrophobicContact CH2-CD2 3.69Å; W9-F52 HydrophobicContact CH2-CE2 4.23Å; W9-F52 HydrophobicContact CH2-CG 4.04Å; W9-F52 HydrophobicContact CZ3-CB 4.36Å; W9-F52 HydrophobicContact CZ3-CD1 4.1Å; W9-F52 AromaticContact CZ3-CD2 3.45Å; W9-F52 HydrophobicContact CZ3-CD2 3.45Å; W9-F52 VanDerWaalsContact CZ3-CD2 3.45Å; W9-F52 HydrophobicContact CZ3-CE1 4.3Å; W9-F52 AromaticContact CZ3-CE2 3.65Å; W9-F52 HydrophobicContact CZ3-CE2 3.65Å; W9-F52 AromaticContact CZ3-CG 3.68Å; W9-F52 HydrophobicContact CZ3-CG 3.68Å; W9-F52 HydrophobicContact CZ3-CZ 4.08Å; E13-F52 HydrophobicContact CB-CE1 3.93Å; E13-F52 HydrophobicContact CB-CZ 3.88Å; E13-F52 HydrophobicContact CG-CD1 4.33Å; E13-F52 HydrophobicContact CG-CE1 3.61Å; E13-F52 HydrophobicContact CG-CZ 4.1Å; M16-F52 HydrophobicContact SD-CE1 4.5Å; M16-F52 HydrophobicContact SD-CZ 4.03Å; L48-F52 HydrophobicContact CD2-CE2 4.35Å; L48-F52 WeakPolarHBondContact O-CD2 3.34Å; L48-F52 PolarHBondContact O-N 2.95Å; Q49-F52 PolarHBondContact NE2-O 2.94Å; Q49-F52 CarbonylContact O-C 3.58Å; Q49-F52 VanDerWaalsContact O-C 3.22Å; Q49-F52 PolarHBondContact O-N 3.17Å; F52-W54 HydrophobicContact CD1-CH2 4.03Å; F52-W54 AromaticContact CD1-CZ2 3.71Å; F52-W54 HydrophobicContact CD1-CZ2 3.71Å; F52-W54 HydrophobicContact CE1-CZ2 4.48Å; F52-W54 PolarHBondContact O-N 3.28Å; F52-W54 VanDerWaalsContact O-N 3.15Å; F52-K55 HydrophobicContact CB-CB 4.13Å; F52-K55 HydrophobicContact CB-CD 3.74Å; F52-K55 HydrophobicContact CB-CG 3.97Å; F52-K55 HydrophobicContact CG-CD 4.16Å; F52-K55 WeakPolarHBondContact O-CB 3.32Å; F52-K55 PolarHBondContact O-N 3.05Å
53P79.7Confident83.4Confident87 Ų8759.9 Ų59.957%0.56530%0.303SS*.THydrogen-bonded Turntrans-65.5-20.3-176.626.5-35.5000113.2Q49 R51 K55Q49-P53 VanDerWaalsContact O-CA 3.28Å; Q49-P53 WeakPolarHBondContact O-CA 3.26Å; R51-P53 WeakPolarHBondContact O-CD 3.47Å; P53-K55 VanDerWaalsContact C-N 3.29Å
54W85.3Confident83.4Confident181 Ų18157.2 Ų57.269%0.68629%0.288SS*.THydrogen-bonded Turntrans-80.3-8174.761.888.9000113.6R51 F52R51-W54 WeakPolarHBondContact O-CH2 2.95Å; F52-W54 HydrophobicContact CD1-CH2 4.03Å; F52-W54 AromaticContact CD1-CZ2 3.71Å; F52-W54 HydrophobicContact CD1-CZ2 3.71Å; F52-W54 HydrophobicContact CE1-CZ2 4.48Å; F52-W54 PolarHBondContact O-N 3.28Å; F52-W54 VanDerWaalsContact O-N 3.15Å
55K83Confident83.2Confident33 Ų3359.8 Ų59.814%0.14330%0.303CS..SBendtrans-93.1149174.2-65.1-176.1-165.9-100.70110.8W9 E13 Q49 F52 P53 V60W9-K55 HydrophobicContact CD2-CD 4.19Å; W9-K55 HydrophobicContact CE3-CD 3.77Å; W9-K55 VanDerWaalsContact CE3-NZ 3.28Å; W9-K55 HydrophobicContact CH2-CD 3.09Å; W9-K55 HydrophobicContact CH2-CG 4.45Å; W9-K55 HydrophobicContact CZ2-CD 3.48Å; W9-K55 VanDerWaalsContact CZ2-CD 3.48Å; W9-K55 HydrophobicContact CZ3-CD 3.24Å; E13-K55 VanDerWaalsContact CD-NZ 3.35Å; E13-K55 WeakPolarHBondContact OE1-CE 3.26Å; E13-K55 IonicContact OE1-NZ 2.96Å; E13-K55 PolarHBondContact OE1-NZ 3.41Å; E13-K55 IonicContact OE2-NZ 2.6Å; E13-K55 PolarHBondContact OE2-NZ 2.68Å; Q49-K55 PolarHBondContact NE2-O 2.6Å; Q49-K55 VanDerWaalsContact NE2-O 3.17Å; F52-K55 HydrophobicContact CB-CB 4.13Å; F52-K55 HydrophobicContact CB-CD 3.74Å; F52-K55 HydrophobicContact CB-CG 3.97Å; F52-K55 HydrophobicContact CG-CD 4.16Å; F52-K55 WeakPolarHBondContact O-CB 3.32Å; F52-K55 PolarHBondContact O-N 3.05Å; P53-K55 VanDerWaalsContact C-N 3.29Å; K55-V60 HydrophobicContact CB-CG2 3.97Å
56G79.4Confident82.9Confident32 Ų3262.3 Ų62.333%0.3332%0.316SS..  trans-65.7142.1176.400000111.2H58 E59 V60G56-H58 PolarHBondContact O-N 2.93Å; G56-H58 VanDerWaalsContact O-N 3.13Å; G56-E59 WeakPolarHBondContact CA-OE2 2.99Å; G56-E59 PolarHBondContact N-OE2 3.31Å; G56-E59 WeakPolarHBondContact O-CA 3.42Å; G56-E59 WeakPolarHBondContact O-CB 3.44Å; G56-E59 PolarHBondContact O-N 3.44Å; G56-V60 PolarHBondContact O-N 3.47Å; G56-V60 VanDerWaalsContact O-N 3.1Å
57K76.8Confident82.7Confident151 Ų15157.9 Ų57.966%0.65729%0.292SS*.Hα-helixtrans-48.8-42.8176.3-63.7-176.2176.9-171.60112.9Q49 E59 V60 I61Q49-K57 VanDerWaalsContact OE1-CA 3.24Å; K57-E59 VanDerWaalsContact C-N 3.32Å; K57-E59 PolarHBondContact O-N 2.95Å; K57-V60 PolarHBondContact O-N 2.87Å; K57-I61 WeakPolarHBondContact O-CB 3.42Å; K57-I61 VanDerWaalsContact O-CD1 3.32Å; K57-I61 WeakPolarHBondContact O-CD1 3.41Å; K57-I61 WeakPolarHBondContact O-CG1 3.24Å; K57-I61 PolarHBondContact O-N 3Å
58H76.6Confident82.3Confident153 Ų15356.4 Ų56.471%0.70829%0.287SS*.Hα-helixtrans-67-30.3178.4-58.7101000113.5G56 G62G56-H58 PolarHBondContact O-N 2.93Å; G56-H58 VanDerWaalsContact O-N 3.13Å; H58-G62 PolarHBondContact O-N 2.83Å
59E77.1Confident81.5Confident44 Ų4460.7 Ų60.721%0.20631%0.308CS..Hα-helixtrans-73.7-42.1177.4-60.4176.210400110.9G56 K57 G62 L63G56-E59 WeakPolarHBondContact CA-OE2 2.99Å; G56-E59 PolarHBondContact N-OE2 3.31Å; G56-E59 WeakPolarHBondContact O-CA 3.42Å; G56-E59 WeakPolarHBondContact O-CB 3.44Å; G56-E59 PolarHBondContact O-N 3.44Å; K57-E59 VanDerWaalsContact C-N 3.32Å; K57-E59 PolarHBondContact O-N 2.95Å; E59-G62 PolarHBondContact O-N 3.42Å; E59-L63 PolarHBondContact O-N 2.7Å
60V82.8Confident80.8Confident0 Ų063.2 Ų63.20%032%0.32CS..Hα-helixtrans-62.5-45.3175.3177.10000110.9W9 L48 Q49 K55 G56 K57 L63 Y64W9-V60 HydrophobicContact CH2-CG2 4.25Å; W9-V60 HydrophobicContact CZ2-CG2 4.5Å; L48-V60 HydrophobicContact CB-CG1 3.4Å; L48-V60 HydrophobicContact CD1-CG1 4.45Å; Q49-V60 HydrophobicContact CB-CG1 4.35Å; K55-V60 HydrophobicContact CB-CG2 3.97Å; G56-V60 PolarHBondContact O-N 3.47Å; G56-V60 VanDerWaalsContact O-N 3.1Å; K57-V60 PolarHBondContact O-N 2.87Å; V60-L63 PolarHBondContact O-N 2.77Å; V60-Y64 PolarHBondContact O-N 3.39Å
61I83.5Confident79.9Confident76 Ų7662.5 Ų62.539%0.3931%0.306SS..Hα-helixtrans-62.3-44.7175.6-66.5162.2000110.5V45 K57 L63 Y64 V65V45-I61 HydrophobicContact CG1-CD1 4.46Å; V45-I61 HydrophobicContact CG1-CG1 3.6Å; V45-I61 HydrophobicContact CG2-CG1 4.46Å; K57-I61 WeakPolarHBondContact O-CB 3.42Å; K57-I61 VanDerWaalsContact O-CD1 3.32Å; K57-I61 WeakPolarHBondContact O-CD1 3.41Å; K57-I61 WeakPolarHBondContact O-CG1 3.24Å; K57-I61 PolarHBondContact O-N 3Å; I61-L63 PolarHBondContact O-N 2.73Å; I61-Y64 WeakPolarHBondContact O-CB 3.29Å; I61-Y64 PolarHBondContact O-N 3.01Å; I61-V65 HydrophobicContact CG2-CG2 4.5Å; I61-V65 WeakPolarHBondContact O-CG2 3.08Å; I61-V65 PolarHBondContact O-N 3.13Å
62G80.6Confident79Confident10 Ų1063.2 Ų63.210%0.10332%0.317CS..Hα-helixtrans-58.1-47.3176.300000112.2H58 E59 Y64 V65 D66H58-G62 PolarHBondContact O-N 2.83Å; E59-G62 PolarHBondContact O-N 3.42Å; G62-Y64 VanDerWaalsContact C-N 3.34Å; G62-Y64 PolarHBondContact O-N 2.81Å; G62-V65 PolarHBondContact O-N 2.83Å; G62-D66 WeakPolarHBondContact O-CB 2.81Å; G62-D66 VanDerWaalsContact O-CG 3.29Å; G62-D66 PolarHBondContact O-N 3.03Å
63L83.2Confident77.9Confident10 Ų1069.1 Ų69.15%0.05235%0.349CS..Hα-helixtrans-57.7-47.1174.6177.771.3000111.5W9 A17 E59 V60 I61 V65 D66 L67W9-L63 HydrophobicContact CD2-CB 4.45Å; W9-L63 HydrophobicContact CD2-CD1 4.1Å; W9-L63 HydrophobicContact CD2-CD2 3.72Å; W9-L63 HydrophobicContact CD2-CG 4.31Å; W9-L63 HydrophobicContact CE3-CD2 3.68Å; W9-L63 HydrophobicContact CG-CD1 4.05Å; W9-L63 HydrophobicContact CG-CD2 4.5Å; W9-L63 HydrophobicContact CH2-CB 4.25Å; W9-L63 HydrophobicContact CH2-CD2 3.35Å; W9-L63 HydrophobicContact CH2-CG 4.38Å; W9-L63 HydrophobicContact CZ2-CB 3.55Å; W9-L63 HydrophobicContact CZ2-CD2 3.49Å; W9-L63 VanDerWaalsContact CZ2-CD2 3.49Å; W9-L63 HydrophobicContact CZ2-CG 4.06Å; W9-L63 HydrophobicContact CZ3-CD2 3.47Å; W9-L63 VanDerWaalsContact CZ3-CD2 3.47Å; A17-L63 HydrophobicContact CB-CD2 3.56Å; A17-L63 HydrophobicContact CB-CG 4.39Å; E59-L63 PolarHBondContact O-N 2.7Å; V60-L63 PolarHBondContact O-N 2.77Å; I61-L63 PolarHBondContact O-N 2.73Å; L63-V65 VanDerWaalsContact C-N 3.32Å; L63-V65 PolarHBondContact O-N 3.35Å; L63-D66 PolarHBondContact O-N 3.44Å; L63-L67 HydrophobicContact CD1-CD1 3.81Å; L63-L67 HydrophobicContact CD1-CD2 4.27Å; L63-L67 HydrophobicContact CD1-CG 3.8Å; L63-L67 HydrophobicContact CD2-CD1 4.19Å; L63-L67 HydrophobicContact CG-CD1 3.74Å; L63-L67 HydrophobicContact CG-CG 4.05Å; L63-L67 WeakPolarHBondContact O-CB 3.5Å; L63-L67 WeakPolarHBondContact O-CG 3.46Å; L63-L67 PolarHBondContact O-N 3.43Å
64Y84.5Confident76.7Confident13 Ų1368.1 Ų68.15%0.05134%0.342CS..Hα-helixtrans-57.7-46.3-179.8176.4-111.2000112.3I21 H41 I44 V45 L48 V60 I61 G62 L67 T68I21-Y64 HydrophobicContact CD1-CD2 3.71Å; I21-Y64 HydrophobicContact CD1-CE2 4.06Å; I21-Y64 HydrophobicContact CG1-CD2 3.88Å; I21-Y64 HydrophobicContact CG1-CE2 3.87Å; I21-Y64 HydrophobicContact CG2-CE2 4.36Å; H41-Y64 HydrophobicContact CB-CE1 4.15Å; H41-Y64 AromaticContact ND1-CE1 3.76Å; H41-Y64 AromaticContact ND1-CZ 3.63Å; H41-Y64 PolarHBondContact ND1-OH 3.15Å; I44-Y64 HydrophobicContact CB-CD2 4.24Å; I44-Y64 HydrophobicContact CB-CE2 3.78Å; I44-Y64 HydrophobicContact CD1-CE2 3.74Å; I44-Y64 VanDerWaalsContact CD1-OH 3.31Å; I44-Y64 WeakPolarHBondContact CD1-OH 3.31Å; I44-Y64 HydrophobicContact CG1-CE2 4.3Å; I44-Y64 HydrophobicContact CG2-CD2 3.47Å; I44-Y64 VanDerWaalsContact CG2-CD2 3.47Å; I44-Y64 HydrophobicContact CG2-CE2 3.33Å; I44-Y64 HydrophobicContact CG2-CG 4.5Å; V45-Y64 HydrophobicContact CG2-CD1 3.73Å; V45-Y64 HydrophobicContact CG2-CE1 4.38Å; V45-Y64 HydrophobicContact CG2-CG 3.93Å; L48-Y64 HydrophobicContact CD1-CD2 3.93Å; L48-Y64 HydrophobicContact CD1-CG 4.28Å; V60-Y64 PolarHBondContact O-N 3.39Å; I61-Y64 WeakPolarHBondContact O-CB 3.29Å; I61-Y64 PolarHBondContact O-N 3.01Å; G62-Y64 VanDerWaalsContact C-N 3.34Å; G62-Y64 PolarHBondContact O-N 2.81Å; Y64-L67 PolarHBondContact O-N 3.38Å; Y64-T68 HydrophobicContact CD2-CG2 4.03Å; Y64-T68 HydrophobicContact CE1-CG2 4.12Å; Y64-T68 HydrophobicContact CE2-CG2 3.4Å; Y64-T68 VanDerWaalsContact CZ-CG2 3.47Å; Y64-T68 WeakPolarHBondContact O-CB 3.42Å; Y64-T68 WeakPolarHBondContact O-CG2 3.1Å; Y64-T68 PolarHBondContact O-N 2.99Å; Y64-T68 PolarHBondContact O-OG1 2.85Å
65V81.3Confident74.9Confident56 Ų5664.6 Ų64.634%0.33934%0.342SS..Hα-helixtrans-65-44.5177.6176.10000110.8I61 G62 L63 L67 T68 M69I61-V65 HydrophobicContact CG2-CG2 4.5Å; I61-V65 WeakPolarHBondContact O-CG2 3.08Å; I61-V65 PolarHBondContact O-N 3.13Å; G62-V65 PolarHBondContact O-N 2.83Å; L63-V65 VanDerWaalsContact C-N 3.32Å; L63-V65 PolarHBondContact O-N 3.35Å; V65-L67 PolarHBondContact O-N 2.89Å; V65-T68 WeakPolarHBondContact CA-OG1 3.44Å; V65-T68 PolarHBondContact O-N 2.96Å; V65-T68 PolarHBondContact O-OG1 3.33Å; V65-T68 VanDerWaalsContact O-OG1 3.07Å; V65-M69 HydrophobicContact CG1-CE 3.7Å; V65-M69 HydrophobicContact CG1-SD 4.22Å; V65-M69 WeakPolarHBondContact O-CB 3.4Å; V65-M69 WeakPolarHBondContact O-CG 3.41Å; V65-M69 PolarHBondContact O-N 3.41Å
66D79.3Confident73.3Confident78 Ų7868.2 Ų68.242%0.41737%0.369SS..Hα-helixtrans-61.7-44178.8-73.8-25.2000111.2G62 L63 E70G62-D66 WeakPolarHBondContact O-CB 2.81Å; G62-D66 VanDerWaalsContact O-CG 3.29Å; G62-D66 PolarHBondContact O-N 3.03Å; L63-D66 PolarHBondContact O-N 3.44Å; D66-E70 WeakPolarHBondContact O-CB 3.16Å; D66-E70 PolarHBondContact O-N 3.41Å
67L83.4Confident71.7Confident5 Ų576.1 Ų76.13%0.02640%0.397CS..Hα-helixtrans-70.8-40.1179.7-69.1-175.3000113.5I14 A17 K18 I21 L63 Y64 V65 E70 M71I14-L67 HydrophobicContact CG2-CD2 4.03Å; A17-L67 HydrophobicContact CB-CD1 3.4Å; A17-L67 VanDerWaalsContact CB-CD1 3.4Å; K18-L67 HydrophobicContact CD-CD2 3.95Å; K18-L67 HydrophobicContact CG-CD1 3.92Å; K18-L67 HydrophobicContact CG-CD2 3.43Å; K18-L67 VanDerWaalsContact CG-CD2 3.43Å; K18-L67 HydrophobicContact CG-CG 4.18Å; I21-L67 HydrophobicContact CD1-CB 3.41Å; I21-L67 VanDerWaalsContact CD1-CB 3.41Å; I21-L67 HydrophobicContact CD1-CD1 3.62Å; I21-L67 HydrophobicContact CD1-CG 4.16Å; L63-L67 HydrophobicContact CD1-CD1 3.81Å; L63-L67 HydrophobicContact CD1-CD2 4.27Å; L63-L67 HydrophobicContact CD1-CG 3.8Å; L63-L67 HydrophobicContact CD2-CD1 4.19Å; L63-L67 HydrophobicContact CG-CD1 3.74Å; L63-L67 HydrophobicContact CG-CG 4.05Å; L63-L67 WeakPolarHBondContact O-CB 3.5Å; L63-L67 WeakPolarHBondContact O-CG 3.46Å; L63-L67 PolarHBondContact O-N 3.43Å; Y64-L67 PolarHBondContact O-N 3.38Å; V65-L67 PolarHBondContact O-N 2.89Å; L67-E70 PolarHBondContact O-N 2.63Å; L67-M71 WeakPolarHBondContact O-CB 3.5Å; L67-M71 VanDerWaalsContact O-CG 3.31Å; L67-M71 WeakPolarHBondContact O-CG 3.37Å; L67-M71 PolarHBondContact O-N 3.48Å
68T79.6Confident70.3Confident22 Ų2275.2 Ų75.214%0.13540%0.404CS..Hα-helixtrans-67.8-39.9177.145.90000111.3I21 Y64 V65 E70 M71 I72I21-T68 HydrophobicContact CD1-CG2 4.46Å; I21-T68 HydrophobicContact CG2-CG2 3.79Å; Y64-T68 HydrophobicContact CD2-CG2 4.03Å; Y64-T68 HydrophobicContact CE1-CG2 4.12Å; Y64-T68 HydrophobicContact CE2-CG2 3.4Å; Y64-T68 VanDerWaalsContact CZ-CG2 3.47Å; Y64-T68 WeakPolarHBondContact O-CB 3.42Å; Y64-T68 WeakPolarHBondContact O-CG2 3.1Å; Y64-T68 PolarHBondContact O-N 2.99Å; Y64-T68 PolarHBondContact O-OG1 2.85Å; V65-T68 WeakPolarHBondContact CA-OG1 3.44Å; V65-T68 PolarHBondContact O-N 2.96Å; V65-T68 PolarHBondContact O-OG1 3.33Å; V65-T68 VanDerWaalsContact O-OG1 3.07Å; T68-E70 VanDerWaalsContact C-N 3.34Å; T68-M71 PolarHBondContact O-N 3.05Å; T68-I72 WeakPolarHBondContact O-CB 3.28Å; T68-I72 WeakPolarHBondContact O-CD1 3.13Å; T68-I72 WeakPolarHBondContact O-CG1 3.43Å; T68-I72 PolarHBondContact O-N 3.34Å
69M69.4Low68.7Low91 Ų9170.6 Ų70.645%0.44840%0.398SS..Hα-helixtrans-61.7-43.6170.8-73.2-175.1-176.600111V65 I72 N73V65-M69 HydrophobicContact CG1-CE 3.7Å; V65-M69 HydrophobicContact CG1-SD 4.22Å; V65-M69 WeakPolarHBondContact O-CB 3.4Å; V65-M69 WeakPolarHBondContact O-CG 3.41Å; V65-M69 PolarHBondContact O-N 3.41Å; M69-I72 PolarHBondContact O-N 2.94Å; M69-N73 WeakPolarHBondContact O-CB 3.32Å; M69-N73 PolarHBondContact O-N 2.88Å; M69-N73 VanDerWaalsContact O-N 3.09Å; M69-N73 PolarHBondContact O-ND2 3.3Å
70E73.1Confident66.9Low87 Ų8776.5 Ų76.541%0.40743%0.431SS..Hα-helixtrans-59.6-49.3175.6-160.5-162.291.500111K18 D66 L67 T68 I72 N73 T74K18-E70 WeakPolarHBondContact CE-OE1 3.49Å; K18-E70 IonicContact NZ-OE1 3.11Å; K18-E70 PolarHBondContact NZ-OE1 3.24Å; K18-E70 IonicContact NZ-OE2 3.84Å; K18-E70 PolarHBondContact NZ-OE2 3.25Å; D66-E70 WeakPolarHBondContact O-CB 3.16Å; D66-E70 PolarHBondContact O-N 3.41Å; L67-E70 PolarHBondContact O-N 2.63Å; T68-E70 VanDerWaalsContact C-N 3.34Å; E70-I72 PolarHBondContact O-N 3.44Å; E70-N73 CarbonylContact O-C 2.85Å; E70-N73 WeakPolarHBondContact O-CA 3.47Å; E70-N73 PolarHBondContact O-N 2.7Å; E70-T74 HydrophobicContact CG-CG2 4.34Å; E70-T74 VanDerWaalsContact O-CG2 3.32Å; E70-T74 WeakPolarHBondContact O-CG2 3.45Å; E70-T74 PolarHBondContact O-N 3.02Å; E70-T74 PolarHBondContact O-OG1 2.89Å
71M68.2Low65Low52 Ų5284 Ų8426%0.25647%0.471SS..Hα-helixtrans-64.8-35.3-178.5-75.7-170.175.800114.4I21 A22 L67 T68 N73 T74I21-M71 HydrophobicContact CB-SD 4.04Å; I21-M71 HydrophobicContact CG2-SD 3.66Å; A22-M71 HydrophobicContact CB-CE 3.51Å; A22-M71 HydrophobicContact CB-SD 4.3Å; L67-M71 WeakPolarHBondContact O-CB 3.5Å; L67-M71 VanDerWaalsContact O-CG 3.31Å; L67-M71 WeakPolarHBondContact O-CG 3.37Å; L67-M71 PolarHBondContact O-N 3.48Å; T68-M71 PolarHBondContact O-N 3.05Å; M71-N73 VanDerWaalsContact C-N 3.29Å; M71-T74 VanDerWaalsContact CA-OG1 3.25Å; M71-T74 WeakPolarHBondContact CA-OG1 3.32Å; M71-T74 PolarHBondContact O-OG1 3.49Å
72I67.3Low62.8Low140 Ų14083.2 Ų83.272%0.71848%0.482SS*.Hα-helixtrans-70.8-30.5174.9-67164.3000110.4T68 M69 E70T68-I72 WeakPolarHBondContact O-CB 3.28Å; T68-I72 WeakPolarHBondContact O-CD1 3.13Å; T68-I72 WeakPolarHBondContact O-CG1 3.43Å; T68-I72 PolarHBondContact O-N 3.34Å; M69-I72 PolarHBondContact O-N 2.94Å; E70-I72 PolarHBondContact O-N 3.44Å
73N62.1Low60.8Low131 Ų13190.3 Ų90.370%0.70152%0.517SS*.Hα-helixtrans-88.5-15.8176.5-72.6-72.3000113.6M69 E70 M71 P75M69-N73 WeakPolarHBondContact O-CB 3.32Å; M69-N73 PolarHBondContact O-N 2.88Å; M69-N73 VanDerWaalsContact O-N 3.09Å; M69-N73 PolarHBondContact O-ND2 3.3Å; E70-N73 CarbonylContact O-C 2.85Å; E70-N73 WeakPolarHBondContact O-CA 3.47Å; E70-N73 PolarHBondContact O-N 2.7Å; M71-N73 VanDerWaalsContact C-N 3.29Å; N73-P75 WeakPolarHBondContact O-CD 3.33Å
74T53.5Low58.7Low66 Ų6695.3 Ų95.341%0.40555%0.547SS..SBendtrans-76.9118.3174.2500000108.7E70 M71E70-T74 HydrophobicContact CG-CG2 4.34Å; E70-T74 VanDerWaalsContact O-CG2 3.32Å; E70-T74 WeakPolarHBondContact O-CG2 3.45Å; E70-T74 PolarHBondContact O-N 3.02Å; E70-T74 PolarHBondContact O-OG1 2.89Å; M71-T74 VanDerWaalsContact CA-OG1 3.25Å; M71-T74 WeakPolarHBondContact CA-OG1 3.32Å; M71-T74 PolarHBondContact O-OG1 3.49Å
75P48.4Very low56.6Low107 Ų107101.7 Ų101.770%0.69558%0.581SS**PPolyproline II helixtrans-52.9136.8164.7-15.828.8000107.4N73 E77N73-P75 WeakPolarHBondContact O-CD 3.33Å; P75-E77 PolarHBondContact O-N 2.93Å
76P48.5Very low54.7Low109 Ų109106 Ų10671%0.70860%0.603SS**PPolyproline II helixtrans-51.9124.3171.622.9-31.4000106.7V78P76-V78 PolarHBondContact O-N 2.85Å
77E46.6Very low52.8Low198 Ų198109 Ų10993%0.92562%0.619SS**  trans-56.593.2165.1-81.2-173.89400105.6P75 G79P75-E77 PolarHBondContact O-N 2.93Å; E77-G79 PolarHBondContact O-N 3.33Å; E77-G79 VanDerWaalsContact O-N 3.08Å
78V47Very low51.2Low131 Ų131115.5 Ų115.579%0.79465%0.654SS**  trans-58.8117.7171.1178.10000103.8P76 D80P76-V78 PolarHBondContact O-N 2.85Å; V78-D80 PolarHBondContact O-N 2.89Å
79G43.3Very low49.3Very low56 Ų56121.6 Ų121.658%0.57769%0.685SS**  trans-46.1133.6179.900000110.2E77 D81E77-G79 PolarHBondContact O-N 3.33Å; E77-G79 VanDerWaalsContact O-N 3.08Å; G79-D81 PolarHBondContact O-N 2.89Å
80D39.3Very low48.3Very low169 Ų169126.1 Ų126.190%0.90470%0.703SS**  trans-2476.7151.3-175.3-132.2000113.4V78V78-D80 PolarHBondContact O-N 2.89Å
81D43.9Very low46.4Very low157 Ų157124.9 Ų124.984%0.8471%0.713SS**  trans-129.7108.7165-124.2-62.7000104.9G79G79-D81 PolarHBondContact O-N 2.89Å
82G35.3Very low45.1Very low60 Ų60129.8 Ų129.862%0.61974%0.737SS**  trans-67.6-161.2-168.200000114.2
83L38.7Very low43.9Very low159 Ų159128.6 Ų128.683%0.83274%0.739SS**  trans94.685.2177.9-47-172.5000112.2
84V40.8Very low43.2Very low115 Ų115128.2 Ų128.270%0.69774%0.741SS**  67.1117.294.6-660000113.7
85L38.8Very low42.7Very low146 Ų146132.8 Ų132.876%0.76476%0.758SS**  trans52.6115.1138.9-46.5176.3000115.3
86D42.3Very low42.3Very low147 Ų147135.9 Ų135.979%0.78676%0.763SS**  -172.5133.476.1-77.5-57.2000106.9
87D39.7Very low42Very low142 Ų142137.9 Ų137.976%0.75976%0.763SS**  4594.8113.8-154.5-121.5000113.9
88D50.1Low42Very low141 Ų141132.3 Ų132.375%0.75474%0.744SS**  trans169.196.8138.2-92-52.9000111.1F90D88-F90 PolarHBondContact O-N 3.24Å
89N39.5Very low41.9Very low150 Ų150134.8 Ų134.880%0.80275%0.747SS**  31.383.2129.4-172.253.9000117.8
90F48.6Very low41.9Very low186 Ų186135.8 Ų135.882%0.81674%0.737SS**  trans-129.689.6144.6-148.7-97.4000110D88 M92D88-F90 PolarHBondContact O-N 3.24Å; F90-M92 HydrophobicContact CE1-CE 4.43Å; F90-M92 PolarHBondContact O-N 3.07Å; F90-M92 VanDerWaalsContact O-N 3.09Å
91G32.3Very low42.2Very low61 Ų61136.2 Ų136.263%0.62973%0.731SS**  trans-59105.5166.400000111.1
92M41.5Very low42.3Very low154 Ų154137.2 Ų137.276%0.75972%0.724SS**  -109.1122126.5-73.9-169.8-159.300105.6F90 V94F90-M92 HydrophobicContact CE1-CE 4.43Å; F90-M92 PolarHBondContact O-N 3.07Å; F90-M92 VanDerWaalsContact O-N 3.09Å; M92-V94 PolarHBondContact O-N 2.84Å
93P42.7Very low42.8Very low116 Ų116138.1 Ų138.175%0.75372%0.718SS**  trans-53.6117.7159.210-3.4000104E95P93-E95 PolarHBondContact O-N 3.33Å
94V46.5Very low43.2Very low123 Ų123133.2 Ų133.275%0.74571%0.706SS**  trans-44.9103152.91590000102.4M92 E96M92-V94 PolarHBondContact O-N 2.84Å; V94-E96 WeakPolarHBondContact O-CA 3.23Å; V94-E96 PolarHBondContact O-N 2.9Å
95E43.7Very low43.9Very low161 Ų161138.7 Ų138.775%0.75271%0.714SS**  trans-53.4103.2177.4-166176.6-159.100101.9P93 Q97P93-E95 PolarHBondContact O-N 3.33Å; E95-Q97 PolarHBondContact O-N 2.56Å
96E39.8Very low45.4Very low172 Ų172139.4 Ų139.480%0.80471%0.711SS**  trans-58.795.8-167.6-78.5-179.575.900104V94 P98V94-E96 WeakPolarHBondContact O-CA 3.23Å; V94-E96 PolarHBondContact O-N 2.9Å; E96-P98 VanDerWaalsContact C-N 3.29Å; E96-P98 VanDerWaalsContact O-CA 3.32Å; E96-P98 WeakPolarHBondContact O-CA 3.29Å; E96-P98 WeakPolarHBondContact O-CD 3.39Å
97Q42.6Very low47.1Very low151 Ų151135.9 Ų135.971%0.70669%0.687SS**  trans-53.9105.9178.8-73.9-69.1-16.700102.7E95 Q99E95-Q97 PolarHBondContact O-N 2.56Å; Q97-Q99 WeakPolarHBondContact O-CA 3.42Å; Q97-Q99 PolarHBondContact O-N 3.34Å
98P44.9Very low49.1Very low81 Ų81132.6 Ų132.653%0.52667%0.672SS.*  trans-58.7112.3-157.316.1-29.4000104.4E96 M100E96-P98 VanDerWaalsContact C-N 3.29Å; E96-P98 VanDerWaalsContact O-CA 3.32Å; E96-P98 WeakPolarHBondContact O-CA 3.29Å; E96-P98 WeakPolarHBondContact O-CD 3.39Å; P98-M100 HydrophobicContact CG-CE 4.36Å; P98-M100 WeakPolarHBondContact O-CA 3.39Å; P98-M100 VanDerWaalsContact O-CB 3.26Å; P98-M100 WeakPolarHBondContact O-CB 3.49Å; P98-M100 WeakPolarHBondContact O-CG 3.29Å; P98-M100 PolarHBondContact O-N 3.5Å
99Q45.1Very low50.6Low183 Ų183137.1 Ų137.186%0.85568%0.679SS**  trans-44.792.9-165.7-69.1-159-21.800107.9Q97 K101Q97-Q99 WeakPolarHBondContact O-CA 3.42Å; Q97-Q99 PolarHBondContact O-N 3.34Å; Q99-K101 PolarHBondContact O-N 2.94Å
100M44.7Very low52.6Low77 Ų77135.8 Ų135.838%0.37967%0.667SS.*  trans-81.497.6-152.9-123.7172.7-162.800101.7P98 Y102 P136P98-M100 HydrophobicContact CG-CE 4.36Å; P98-M100 WeakPolarHBondContact O-CA 3.39Å; P98-M100 VanDerWaalsContact O-CB 3.26Å; P98-M100 WeakPolarHBondContact O-CB 3.49Å; P98-M100 WeakPolarHBondContact O-CG 3.29Å; P98-M100 PolarHBondContact O-N 3.5Å; M100-Y102 WeakPolarHBondContact O-CD2 3.2Å; M100-Y102 PolarHBondContact O-N 2.82Å; M100-P136 VanDerWaalsContact CE-C 3.4Å; M100-P136 HydrophobicContact CE-CB 3.37Å; M100-P136 WeakPolarHBondContact CE-O 3.31Å
101K45Very low54.4Low179 Ų179127.6 Ų127.678%0.77863%0.632SS**  trans-54.597.9174.5-68177.8-178.8176.60103.4Q99 T103Q99-K101 PolarHBondContact O-N 2.94Å; K101-T103 HydrophobicContact CB-CG2 4.3Å; K101-T103 WeakPolarHBondContact O-CG2 3.2Å; K101-T103 PolarHBondContact O-N 3.34Å
102Y45.1Very low57Low177 Ų177127.2 Ų127.269%0.69461%0.614SS**  trans-6482.5176-68.5-83.8000104.4M100 G104 T139M100-Y102 WeakPolarHBondContact O-CD2 3.2Å; M100-Y102 PolarHBondContact O-N 2.82Å; Y102-G104 PolarHBondContact O-N 2.86Å; Y102-T139 HydrophobicContact CE1-CG2 4.04Å
103T46.3Very low59.2Low79 Ų79127.6 Ų127.649%0.48561%0.607SS.*  trans-68.5113.3-174.148.30000105.2K101 R105K101-T103 HydrophobicContact CB-CG2 4.3Å; K101-T103 WeakPolarHBondContact O-CG2 3.2Å; K101-T103 PolarHBondContact O-N 3.34Å; T103-R105 PolarHBondContact O-N 3.22Å
104G48.3Very low61.3Low56 Ų56123.9 Ų123.958%0.57758%0.581SS**  trans-52.6134.5-164.500000113.1Y102 F106Y102-G104 PolarHBondContact O-N 2.86Å; G104-F106 VanDerWaalsContact C-N 3.31Å; G104-F106 PolarHBondContact O-N 3.47Å
105R54.8Low63.2Low231 Ų231118 Ų11887%0.87255%0.545SS*.SBendtrans69.4-21.4140.9-57.3-152.8-79.3-139.70.7120.3T103T103-R105 PolarHBondContact O-N 3.22Å
106F70Confident65.4Low160 Ų160113.5 Ų113.570%0.70253%0.526SS*.  trans-123.1142.2-176.9-62.7-77000113.7G104 T108 K138G104-F106 VanDerWaalsContact C-N 3.31Å; G104-F106 PolarHBondContact O-N 3.47Å; F106-T108 PolarHBondContact O-N 2.93Å; F106-K138 PolarHBondContact O-NZ 3.48Å
107W78.8Confident67.6Low73 Ų73113.4 Ų113.428%0.27752%0.518SS..  trans-79.2112.6168-77.486.9000108.6E111 F115 V135 K138 I143 H146W107-E111 HydrophobicContact CE3-CB 4.03Å; W107-E111 HydrophobicContact CZ3-CB 4.37Å; W107-F115 HydrophobicContact CH2-CB 4.46Å; W107-F115 HydrophobicContact CH2-CG 4.5Å; W107-F115 HydrophobicContact CZ3-CB 3.91Å; W107-F115 HydrophobicContact CZ3-CG 4.31Å; W107-V135 HydrophobicContact CZ3-CG1 4.35Å; W107-K138 HydrophobicContact CH2-CB 4.47Å; W107-K138 HydrophobicContact CH2-CG 4.18Å; W107-K138 HydrophobicContact CZ2-CG 4.3Å; W107-K138 HydrophobicContact CZ3-CG 4.41Å; W107-I143 HydrophobicContact CH2-CG1 4.06Å; W107-H146 AromaticContact CD1-CE1 3.88Å; W107-H146 AromaticContact CD1-ND1 3.58Å; W107-H146 HydrophobicContact CD2-CB 4.42Å; W107-H146 AromaticContact CD2-CD2 3.75Å; W107-H146 AromaticContact CD2-CE1 3.79Å; W107-H146 AromaticContact CD2-CG 3.77Å; W107-H146 AromaticContact CD2-ND1 3.83Å; W107-H146 AromaticContact CD2-NE2 3.75Å; W107-H146 VanDerWaalsContact CE2-CB 3.46Å; W107-H146 AromaticContact CE2-CD2 3.64Å; W107-H146 AromaticContact CE2-CE1 4Å; W107-H146 AromaticContact CE2-CG 3.26Å; W107-H146 AromaticContact CE2-ND1 3.55Å; W107-H146 AromaticContact CE3-CD2 3.84Å; W107-H146 AromaticContact CE3-NE2 3.88Å; W107-H146 AromaticContact CG-CE1 3.75Å; W107-H146 AromaticContact CG-ND1 3.87Å; W107-H146 HydrophobicContact CH2-CB 3.9Å; W107-H146 AromaticContact CH2-CD2 3.69Å; W107-H146 AromaticContact CH2-CG 3.93Å; W107-H146 HydrophobicContact CZ2-CB 3.16Å; W107-H146 AromaticContact CZ2-CD2 3.65Å; W107-H146 AromaticContact CZ2-CG 3.39Å; W107-H146 AromaticContact CZ3-CD2 3.8Å; W107-H146 AromaticContact NE1-CG 3.53Å; W107-H146 AromaticContact NE1-ND1 3.37Å; W107-H146 PolarHBondContact NE1-ND1 2.95Å
108T80.7Confident69.8Low73 Ų73106.2 Ų106.245%0.44848%0.484SS..  trans-71.8158170.9660000110.2F106 E110 E111 H112F106-T108 PolarHBondContact O-N 2.93Å; T108-E110 PolarHBondContact O-N 3.5Å; T108-E111 PolarHBondContact N-OE2 3.46Å; T108-E111 PolarHBondContact O-N 2.86Å; T108-E111 WeakPolarHBondContact OG1-CB 3.1Å; T108-E111 WeakPolarHBondContact OG1-CG 3.26Å; T108-E111 PolarHBondContact OG1-N 3.27Å; T108-E111 VanDerWaalsContact OG1-N 3.16Å; T108-E111 PolarHBondContact OG1-OE2 2.8Å; T108-E111 VanDerWaalsContact OG1-OE2 3.08Å; T108-H112 PolarHBondContact O-N 3.45Å
109R82.2Confident71.7Confident236 Ų236103.4 Ų103.489%0.89147%0.465SS*.Hα-helixtrans-58-33.5175-77.2-175.6-77.6177.7-4.1112R113R109-R113 WeakPolarHBondContact O-CB 3.3Å; R109-R113 PolarHBondContact O-N 2.94Å
110E81.5Confident73.6Confident122 Ų122101.7 Ų101.757%0.5746%0.461SS*.Hα-helixtrans-71.2-47.6178.5-169.4171132.100112T108 H112 R113 N114T108-E110 PolarHBondContact O-N 3.5Å; E110-H112 VanDerWaalsContact C-N 3.3Å; E110-H112 PolarHBondContact O-N 3.31Å; E110-R113 WeakPolarHBondContact O-CB 3.38Å; E110-R113 PolarHBondContact O-N 3.07Å; E110-R113 VanDerWaalsContact O-N 3.13Å; E110-N114 PolarHBondContact O-N 2.99Å
111E86.1Confident75.4Confident15 Ų15104.1 Ų104.17%0.0747%0.473CS..Hα-helixtrans-60.2-41175.3-70.9171.5132.800111.6W107 T108 N114 F115 V135 T137 K138W107-E111 HydrophobicContact CE3-CB 4.03Å; W107-E111 HydrophobicContact CZ3-CB 4.37Å; T108-E111 PolarHBondContact N-OE2 3.46Å; T108-E111 PolarHBondContact O-N 2.86Å; T108-E111 WeakPolarHBondContact OG1-CB 3.1Å; T108-E111 WeakPolarHBondContact OG1-CG 3.26Å; T108-E111 PolarHBondContact OG1-N 3.27Å; T108-E111 VanDerWaalsContact OG1-N 3.16Å; T108-E111 PolarHBondContact OG1-OE2 2.8Å; T108-E111 VanDerWaalsContact OG1-OE2 3.08Å; E111-N114 PolarHBondContact O-N 3.41Å; E111-F115 VanDerWaalsContact O-CB 3.31Å; E111-F115 WeakPolarHBondContact O-CB 3.45Å; E111-F115 PolarHBondContact O-N 2.97Å; E111-V135 HydrophobicContact CB-CG1 3.94Å; E111-V135 HydrophobicContact CG-CG1 3.93Å; E111-V135 WeakPolarHBondContact O-CG2 3.47Å; E111-T137 PolarHBondContact OE1-OG1 2.93Å; E111-K138 VanDerWaalsContact CD-NZ 3.25Å; E111-K138 IonicContact OE1-NZ 2.68Å; E111-K138 PolarHBondContact OE1-NZ 2.9Å; E111-K138 IonicContact OE2-NZ 3.17Å; E111-K138 PolarHBondContact OE2-NZ 3.44Å; E111-K138 VanDerWaalsContact OE2-NZ 3.17Å
112H86.5Confident77.2Confident53 Ų5399.1 Ų99.125%0.24545%0.45CS..Hα-helixtrans-63.9-41.3175.8-174.748.8000111.8T108 E110 F115 L116 H146 F150T108-H112 PolarHBondContact O-N 3.45Å; E110-H112 VanDerWaalsContact C-N 3.3Å; E110-H112 PolarHBondContact O-N 3.31Å; H112-F115 AromaticContact ND1-CD1 3.82Å; H112-F115 WeakPolarHBondContact O-CB 3.34Å; H112-F115 PolarHBondContact O-N 3.25Å; H112-L116 WeakPolarHBondContact O-CG 3.34Å; H112-L116 PolarHBondContact O-N 2.71Å; H112-H146 AromaticContact CE1-NE2 3.71Å; H112-H146 AromaticContact ND1-NE2 3.16Å; H112-H146 PolarHBondContact ND1-NE2 3.34Å; H112-H146 VanDerWaalsContact ND1-NE2 3.16Å; H112-F150 AromaticContact CE1-CD2 3.83Å; H112-F150 AromaticContact CE1-CE2 3.86Å; H112-F150 AromaticContact NE2-CE2 3.99Å
113R87.4Confident78.9Confident161 Ų16192.1 Ų92.161%0.60843%0.431SS*.Hα-helixtrans-62.8-42.8175.5-171.6-177.869.1-163.2-1.5111.5R109 E110 L116 R117R109-R113 WeakPolarHBondContact O-CB 3.3Å; R109-R113 PolarHBondContact O-N 2.94Å; E110-R113 WeakPolarHBondContact O-CB 3.38Å; E110-R113 PolarHBondContact O-N 3.07Å; E110-R113 VanDerWaalsContact O-N 3.13Å; R113-L116 PolarHBondContact O-N 2.94Å; R113-R117 PolarHBondContact O-N 3.42Å
114N87.4Confident80.3Confident39 Ų3997.3 Ų97.321%0.20944%0.442CS..Hα-helixtrans-66.2-41.6177.1-68.4-13000111.3E110 E111 L116 R117 G118 F134 V135E110-N114 PolarHBondContact O-N 2.99Å; E111-N114 PolarHBondContact O-N 3.41Å; N114-L116 PolarHBondContact O-N 3Å; N114-R117 CarbonylContact O-C 3.6Å; N114-R117 WeakPolarHBondContact O-CB 3.41Å; N114-R117 PolarHBondContact O-N 3.42Å; N114-R117 VanDerWaalsContact O-N 3.16Å; N114-G118 PolarHBondContact O-N 2.6Å; N114-F134 HydrophobicContact CB-CB 4.13Å; N114-F134 VanDerWaalsContact CB-O 3.24Å; N114-F134 WeakPolarHBondContact CB-O 3.45Å; N114-F134 PolarHBondContact ND2-O 3.11Å; N114-F134 WeakPolarHBondContact O-CB 3.4Å; N114-F134 WeakPolarHBondContact O-CD1 3.39Å; N114-V135 HydrophobicContact CB-CG2 3.97Å
115F87.1Confident81.5Confident0 Ų096.9 Ų96.90%044%0.438CS..Hα-helixtrans-56.6-46.6171.8163.7-105000112.4W107 E111 H112 R117 G118 L119 W127 I130 V135 I143 H146 A147W107-F115 HydrophobicContact CH2-CB 4.46Å; W107-F115 HydrophobicContact CH2-CG 4.5Å; W107-F115 HydrophobicContact CZ3-CB 3.91Å; W107-F115 HydrophobicContact CZ3-CG 4.31Å; E111-F115 VanDerWaalsContact O-CB 3.31Å; E111-F115 WeakPolarHBondContact O-CB 3.45Å; E111-F115 PolarHBondContact O-N 2.97Å; H112-F115 AromaticContact ND1-CD1 3.82Å; H112-F115 WeakPolarHBondContact O-CB 3.34Å; H112-F115 PolarHBondContact O-N 3.25Å; F115-R117 VanDerWaalsContact C-N 3.3Å; F115-R117 PolarHBondContact O-N 2.86Å; F115-G118 PolarHBondContact O-N 2.9Å; F115-L119 HydrophobicContact CD1-CD1 4.15Å; F115-L119 HydrophobicContact CD2-CG 4.38Å; F115-L119 HydrophobicContact CE1-CD1 3.41Å; F115-L119 VanDerWaalsContact CE1-CD1 3.41Å; F115-L119 HydrophobicContact CE1-CG 4.24Å; F115-L119 HydrophobicContact CE2-CD1 3.89Å; F115-L119 HydrophobicContact CE2-CD2 4.37Å; F115-L119 HydrophobicContact CE2-CG 3.85Å; F115-L119 HydrophobicContact CZ-CD1 3.26Å; F115-L119 HydrophobicContact CZ-CD2 4.35Å; F115-L119 HydrophobicContact CZ-CG 3.78Å; F115-L119 PolarHBondContact O-N 3.18Å; F115-W127 HydrophobicContact CE2-CZ3 4.06Å; F115-I130 HydrophobicContact CD2-CG2 4.24Å; F115-V135 HydrophobicContact CB-CG2 4.05Å; F115-I143 HydrophobicContact CD2-CG2 3.48Å; F115-I143 VanDerWaalsContact CD2-CG2 3.48Å; F115-I143 HydrophobicContact CE2-CG2 3.46Å; F115-I143 VanDerWaalsContact CE2-CG2 3.46Å; F115-H146 AromaticContact CD1-CD2 3.83Å; F115-H146 AromaticContact CE1-CD2 3.82Å; F115-A147 HydrophobicContact CE2-CB 3.88Å; F115-A147 HydrophobicContact CZ-CB 3.51Å
116L88.2Confident82.9Confident66 Ų6689.5 Ų89.535%0.34642%0.415SS..Hα-helixtrans-62.8-38.3176.2-68.8174.8000111.8H112 R113 N114 L119 N120 F150H112-L116 WeakPolarHBondContact O-CG 3.34Å; H112-L116 PolarHBondContact O-N 2.71Å; R113-L116 PolarHBondContact O-N 2.94Å; N114-L116 PolarHBondContact O-N 3Å; L116-L119 HydrophobicContact CD2-CD1 4.36Å; L116-L119 WeakPolarHBondContact O-CB 3.41Å; L116-L119 PolarHBondContact O-N 3.31Å; L116-N120 PolarHBondContact O-N 3.2Å; L116-F150 HydrophobicContact CD2-CE1 3.86Å; L116-F150 HydrophobicContact CD2-CE2 4.11Å; L116-F150 HydrophobicContact CD2-CZ 3.59Å
117R86.2Confident83.6Confident170 Ų17083.8 Ų83.864%0.64239%0.389SS*.Hα-helixtrans-66-40.2175.1-162.5178.4179.3-1711.4111.6R113 N114 F115 N120 M121 F134R113-R117 PolarHBondContact O-N 3.42Å; N114-R117 CarbonylContact O-C 3.6Å; N114-R117 WeakPolarHBondContact O-CB 3.41Å; N114-R117 PolarHBondContact O-N 3.42Å; N114-R117 VanDerWaalsContact O-N 3.16Å; F115-R117 VanDerWaalsContact C-N 3.3Å; F115-R117 PolarHBondContact O-N 2.86Å; R117-N120 WeakPolarHBondContact O-CB 3.36Å; R117-N120 PolarHBondContact O-N 3.2Å; R117-M121 PolarHBondContact O-N 3.23Å; R117-F134 HydrophobicContact CB-CD1 4Å; R117-F134 HydrophobicContact CB-CE1 3.76Å; R117-F134 HydrophobicContact CG-CD1 4.31Å; R117-F134 HydrophobicContact CG-CE1 3.61Å; R117-F134 HydrophobicContact CG-CZ 4.41Å
118G88.7Confident83.8Confident0 Ų086 Ų860%040%0.404CS..Hα-helixtrans-67-39.3174.900000113.1N114 F115 N120 M121 Y122N114-G118 PolarHBondContact O-N 2.6Å; F115-G118 PolarHBondContact O-N 2.9Å; G118-N120 VanDerWaalsContact C-N 3.28Å; G118-N120 PolarHBondContact O-N 3.42Å; G118-M121 PolarHBondContact O-N 3.28Å; G118-Y122 PolarHBondContact O-N 3.08Å
119L86Confident84.1Confident22 Ų2288 Ų8812%0.11540%0.404CS..Hα-helixtrans-59.1-39.2170.6-86.4178.8000112.3F115 L116 G123 W127 I130 F151F115-L119 HydrophobicContact CD1-CD1 4.15Å; F115-L119 HydrophobicContact CD2-CG 4.38Å; F115-L119 HydrophobicContact CE1-CD1 3.41Å; F115-L119 VanDerWaalsContact CE1-CD1 3.41Å; F115-L119 HydrophobicContact CE1-CG 4.24Å; F115-L119 HydrophobicContact CE2-CD1 3.89Å; F115-L119 HydrophobicContact CE2-CD2 4.37Å; F115-L119 HydrophobicContact CE2-CG 3.85Å; F115-L119 HydrophobicContact CZ-CD1 3.26Å; F115-L119 HydrophobicContact CZ-CD2 4.35Å; F115-L119 HydrophobicContact CZ-CG 3.78Å; F115-L119 PolarHBondContact O-N 3.18Å; L116-L119 HydrophobicContact CD2-CD1 4.36Å; L116-L119 WeakPolarHBondContact O-CB 3.41Å; L116-L119 PolarHBondContact O-N 3.31Å; L119-G123 VanDerWaalsContact O-CA 3.23Å; L119-G123 WeakPolarHBondContact O-CA 3.47Å; L119-G123 PolarHBondContact O-N 3.11Å; L119-G123 VanDerWaalsContact O-N 3.1Å; L119-W127 HydrophobicContact CD2-CH2 3.75Å; L119-W127 HydrophobicContact CD2-CZ3 3.5Å; L119-W127 VanDerWaalsContact CD2-CZ3 3.5Å; L119-W127 HydrophobicContact CG-CZ3 4.44Å; L119-I130 HydrophobicContact CD2-CD1 4.35Å; L119-F151 HydrophobicContact CD1-CE1 4.44Å; L119-F151 HydrophobicContact CD1-CE2 4.37Å; L119-F151 HydrophobicContact CD1-CZ 3.69Å; L119-F151 HydrophobicContact CD2-CE2 4.23Å; L119-F151 HydrophobicContact CD2-CZ 3.88Å; L119-F151 HydrophobicContact CG-CZ 4.46Å
120N84.2Confident84.2Confident146 Ų14676.7 Ų76.778%0.78136%0.362SS*.Hα-helixtrans-70.3-34.6177.4-175.2-105.5000112.3L116 R117 G118L116-N120 PolarHBondContact O-N 3.2Å; R117-N120 WeakPolarHBondContact O-CB 3.36Å; R117-N120 PolarHBondContact O-N 3.2Å; G118-N120 VanDerWaalsContact C-N 3.28Å; G118-N120 PolarHBondContact O-N 3.42Å
121M82.3Confident84.3Confident128 Ų12871.5 Ų71.563%0.63134%0.339SS*.Hα-helixtrans-81.4-53.1-178-17365.375.800113.4R117 G118 F134R117-M121 PolarHBondContact O-N 3.23Å; G118-M121 PolarHBondContact O-N 3.28Å; M121-F134 HydrophobicContact CB-CE2 4.18Å; M121-F134 HydrophobicContact CB-CZ 3.92Å; M121-F134 HydrophobicContact CG-CZ 4.31Å
122Y83.5Confident84.1Confident75 Ų7578.8 Ų78.829%0.29437%0.366SS..Hα-helixtrans-97.3-12.3-173.5-69-68.4000113.7G118 N126 Y129 I130 D133 F134G118-Y122 PolarHBondContact O-N 3.08Å; Y122-N126 HydrophobicContact CG-CB 4.45Å; Y122-N126 PolarHBondContact O-ND2 3Å; Y122-Y129 HydrophobicContact CD1-CG 4.32Å; Y122-Y129 HydrophobicContact CE1-CD1 4.39Å; Y122-Y129 HydrophobicContact CE1-CG 4.13Å; Y122-I130 HydrophobicContact CD2-CG1 3.93Å; Y122-I130 HydrophobicContact CG-CG1 4.46Å; Y122-D133 HydrophobicContact CE2-CB 4.43Å; Y122-D133 PolarHBondContact OH-OD2 3.1Å; Y122-F134 HydrophobicContact CD2-CD2 4.25Å; Y122-F134 AromaticContact CD2-CE2 3.76Å; Y122-F134 HydrophobicContact CD2-CE2 3.76Å; Y122-F134 HydrophobicContact CE2-CD2 4.04Å; Y122-F134 AromaticContact CE2-CE2 3.49Å; Y122-F134 HydrophobicContact CE2-CE2 3.49Å; Y122-F134 VanDerWaalsContact CE2-CE2 3.49Å
123G80.7Confident84Confident29 Ų2979.8 Ų79.830%0.29937%0.373SS..  trans76.3-169.3-175.200000113.9L119L119-G123 VanDerWaalsContact O-CA 3.23Å; L119-G123 WeakPolarHBondContact O-CA 3.47Å; L119-G123 PolarHBondContact O-N 3.11Å; L119-G123 VanDerWaalsContact O-N 3.1Å
124R75.3Confident83.9Confident189 Ų18973.7 Ų73.771%0.71335%0.351SS*.SBendtrans-81.3132.2178.5-65.8171.1175.6171.4-1.3109.5F151R124-F151 HydrophobicContact CG-CE2 4.21Å; R124-F151 HydrophobicContact CG-CZ 4.14Å
125G73.3Confident83.7Confident47 Ų4771.9 Ų71.949%0.48534%0.341SS..SBendtrans107.7-25.5174.300000114.8W127G125-W127 PolarHBondContact O-N 3.01Å
126N84.8Confident83.5Confident75 Ų7574.5 Ų74.540%0.40136%0.358SS..  trans-8547.3-179.8-73.9-36000112.8Y122 M128 Y129 I130Y122-N126 HydrophobicContact CG-CB 4.45Å; Y122-N126 PolarHBondContact O-ND2 3Å; N126-M128 PolarHBondContact O-N 3.41Å; N126-Y129 HydrophobicContact CB-CD2 4.21Å; N126-Y129 PolarHBondContact O-N 2.94Å; N126-I130 WeakPolarHBondContact O-CG1 3.32Å; N126-I130 PolarHBondContact O-N 3.39Å; N126-I130 VanDerWaalsContact O-N 3.13Å
127W83.9Confident83Confident40 Ų4073.8 Ų73.815%0.15236%0.356CS..Hα-helixtrans-63-29.8-174.3-47.1120.7000113.2F115 L119 G125 I130 S131 P140 I143 Y144 A147 F151F115-W127 HydrophobicContact CE2-CZ3 4.06Å; L119-W127 HydrophobicContact CD2-CH2 3.75Å; L119-W127 HydrophobicContact CD2-CZ3 3.5Å; L119-W127 VanDerWaalsContact CD2-CZ3 3.5Å; L119-W127 HydrophobicContact CG-CZ3 4.44Å; G125-W127 PolarHBondContact O-N 3.01Å; W127-I130 HydrophobicContact CE3-CD1 3.8Å; W127-I130 HydrophobicContact CZ3-CD1 3.95Å; W127-I130 PolarHBondContact O-N 2.84Å; W127-S131 VanDerWaalsContact O-CB 3.24Å; W127-S131 WeakPolarHBondContact O-CB 3.49Å; W127-S131 PolarHBondContact O-N 2.73Å; W127-P140 HydrophobicContact CB-CB 4.05Å; W127-I143 HydrophobicContact CD2-CG2 4.48Å; W127-I143 HydrophobicContact CE3-CG2 3.69Å; W127-I143 HydrophobicContact CZ3-CG2 4.3Å; W127-Y144 AromaticContact CE2-CD2 3.98Å; W127-Y144 HydrophobicContact CZ2-CD2 4.33Å; W127-Y144 AromaticContact NE1-CD2 3.5Å; W127-A147 HydrophobicContact CH2-CB 3.52Å; W127-A147 HydrophobicContact CZ2-CB 4.15Å; W127-A147 HydrophobicContact CZ3-CB 3.77Å; W127-F151 HydrophobicContact CH2-CE2 4.41Å
128M83.9Confident82.6Confident121 Ų12166 Ų6660%0.59633%0.327SS*.Hα-helixtrans-60.1-48.7176.1-73.3178.7173.700111.6N126 S131 R132 P140N126-M128 PolarHBondContact O-N 3.41Å; M128-S131 PolarHBondContact O-N 3.09Å; M128-R132 WeakPolarHBondContact O-CB 3.26Å; M128-R132 PolarHBondContact O-N 3.5Å; M128-P140 HydrophobicContact CG-CB 4.24Å; M128-P140 HydrophobicContact CG-CG 4.14Å
129Y86.2Confident82.2Confident113 Ų11368.3 Ų68.344%0.44334%0.341SS..Hα-helixtrans-68.9-39.8177.4-64.8-78000111.9Y122 N126 S131 R132 D133Y122-Y129 HydrophobicContact CD1-CG 4.32Å; Y122-Y129 HydrophobicContact CE1-CD1 4.39Å; Y122-Y129 HydrophobicContact CE1-CG 4.13Å; N126-Y129 HydrophobicContact CB-CD2 4.21Å; N126-Y129 PolarHBondContact O-N 2.94Å; Y129-S131 VanDerWaalsContact C-N 3.33Å; Y129-S131 PolarHBondContact O-N 3.09Å; Y129-R132 PolarHBondContact O-N 3.43Å; Y129-D133 VanDerWaalsContact O-CB 3.29Å; Y129-D133 WeakPolarHBondContact O-CB 3.26Å; Y129-D133 PolarHBondContact O-N 2.89Å
130I85Confident82Confident0 Ų069.5 Ų69.50%035%0.35CS..Hα-helixtrans-62.8-42.3176.9-61.9170.5000110.9F115 L119 Y122 N126 W127 F134 V135 I143F115-I130 HydrophobicContact CD2-CG2 4.24Å; L119-I130 HydrophobicContact CD2-CD1 4.35Å; Y122-I130 HydrophobicContact CD2-CG1 3.93Å; Y122-I130 HydrophobicContact CG-CG1 4.46Å; N126-I130 WeakPolarHBondContact O-CG1 3.32Å; N126-I130 PolarHBondContact O-N 3.39Å; N126-I130 VanDerWaalsContact O-N 3.13Å; W127-I130 HydrophobicContact CE3-CD1 3.8Å; W127-I130 HydrophobicContact CZ3-CD1 3.95Å; W127-I130 PolarHBondContact O-N 2.84Å; I130-F134 HydrophobicContact CG2-CB 4.34Å; I130-F134 WeakPolarHBondContact O-CA 3.25Å; I130-F134 VanDerWaalsContact O-CB 3.25Å; I130-F134 WeakPolarHBondContact O-CB 3.35Å; I130-F134 PolarHBondContact O-N 2.76Å; I130-V135 PolarHBondContact O-N 3.07Å; I130-I143 HydrophobicContact CB-CD1 4.49Å; I130-I143 HydrophobicContact CG2-CD1 4.03Å; I130-I143 HydrophobicContact CG2-CG2 4.13Å
131S82.7Confident81.8Confident12 Ų1266.4 Ų66.48%0.08433%0.333CS..Hα-helixtrans-61.3-57.5174.6172.20000110.2W127 M128 Y129 D133 V135 P136 K138 P140W127-S131 VanDerWaalsContact O-CB 3.24Å; W127-S131 WeakPolarHBondContact O-CB 3.49Å; W127-S131 PolarHBondContact O-N 2.73Å; M128-S131 PolarHBondContact O-N 3.09Å; Y129-S131 VanDerWaalsContact C-N 3.33Å; Y129-S131 PolarHBondContact O-N 3.09Å; S131-D133 VanDerWaalsContact C-N 3.35Å; S131-D133 PolarHBondContact O-N 3.22Å; S131-V135 CarbonylContact O-C 3.22Å; S131-V135 PolarHBondContact O-N 3.38Å; S131-V135 VanDerWaalsContact O-O 3.04Å; S131-P136 WeakPolarHBondContact O-CA 3.2Å; S131-K138 WeakPolarHBondContact CB-O 3.43Å; S131-K138 PolarHBondContact OG-O 2.91Å; S131-P140 WeakPolarHBondContact OG-CD 3.41Å
132R82.9Confident81.9Confident168 Ų16864.1 Ų64.163%0.63432%0.32SS*.Hα-helixtrans-61.8-41.6-174.1-163.9177.669.2-177.94.1113.4M128 Y129M128-R132 WeakPolarHBondContact O-CB 3.26Å; M128-R132 PolarHBondContact O-N 3.5Å; Y129-R132 PolarHBondContact O-N 3.43Å
133D84.7Confident82Confident74 Ų7460.6 Ų60.640%0.39631%0.306SS..Hα-helixtrans-99.4-27.3-167.6-56.7-14.7000113Y122 Y129 S131Y122-D133 HydrophobicContact CE2-CB 4.43Å; Y122-D133 PolarHBondContact OH-OD2 3.1Å; Y129-D133 VanDerWaalsContact O-CB 3.29Å; Y129-D133 WeakPolarHBondContact O-CB 3.26Å; Y129-D133 PolarHBondContact O-N 2.89Å; S131-D133 VanDerWaalsContact C-N 3.35Å; S131-D133 PolarHBondContact O-N 3.22Å
134F85.4Confident82.1Confident33 Ų3363.9 Ų63.915%0.14531%0.311CS..Hα-helixtrans-112.7-42.5-176.6-70.1-87.9000113.8N114 R117 M121 Y122 I130 P136N114-F134 HydrophobicContact CB-CB 4.13Å; N114-F134 VanDerWaalsContact CB-O 3.24Å; N114-F134 WeakPolarHBondContact CB-O 3.45Å; N114-F134 PolarHBondContact ND2-O 3.11Å; N114-F134 WeakPolarHBondContact O-CB 3.4Å; N114-F134 WeakPolarHBondContact O-CD1 3.39Å; R117-F134 HydrophobicContact CB-CD1 4Å; R117-F134 HydrophobicContact CB-CE1 3.76Å; R117-F134 HydrophobicContact CG-CD1 4.31Å; R117-F134 HydrophobicContact CG-CE1 3.61Å; R117-F134 HydrophobicContact CG-CZ 4.41Å; M121-F134 HydrophobicContact CB-CE2 4.18Å; M121-F134 HydrophobicContact CB-CZ 3.92Å; M121-F134 HydrophobicContact CG-CZ 4.31Å; Y122-F134 HydrophobicContact CD2-CD2 4.25Å; Y122-F134 AromaticContact CD2-CE2 3.76Å; Y122-F134 HydrophobicContact CD2-CE2 3.76Å; Y122-F134 HydrophobicContact CE2-CD2 4.04Å; Y122-F134 AromaticContact CE2-CE2 3.49Å; Y122-F134 HydrophobicContact CE2-CE2 3.49Å; Y122-F134 VanDerWaalsContact CE2-CE2 3.49Å; I130-F134 HydrophobicContact CG2-CB 4.34Å; I130-F134 WeakPolarHBondContact O-CA 3.25Å; I130-F134 VanDerWaalsContact O-CB 3.25Å; I130-F134 WeakPolarHBondContact O-CB 3.35Å; I130-F134 PolarHBondContact O-N 2.76Å; F134-P136 VanDerWaalsContact C-CD 3.42Å
135V83.8Confident82.5Confident2 Ų258.2 Ų58.21%0.01230%0.3CS..  trans-131.765.9-176-162.40000110W107 E111 N114 F115 I130 S131 T137 K138 I143W107-V135 HydrophobicContact CZ3-CG1 4.35Å; E111-V135 HydrophobicContact CB-CG1 3.94Å; E111-V135 HydrophobicContact CG-CG1 3.93Å; E111-V135 WeakPolarHBondContact O-CG2 3.47Å; N114-V135 HydrophobicContact CB-CG2 3.97Å; F115-V135 HydrophobicContact CB-CG2 4.05Å; I130-V135 PolarHBondContact O-N 3.07Å; S131-V135 CarbonylContact O-C 3.22Å; S131-V135 PolarHBondContact O-N 3.38Å; S131-V135 VanDerWaalsContact O-O 3.04Å; V135-T137 PolarHBondContact O-N 3.4Å; V135-T137 VanDerWaalsContact O-N 3.14Å; V135-K138 HydrophobicContact CB-CB 4.36Å; V135-K138 HydrophobicContact CG1-CB 3.66Å; V135-K138 HydrophobicContact CG1-CG 3.44Å; V135-K138 VanDerWaalsContact CG1-CG 3.44Å; V135-K138 PolarHBondContact O-N 3.09Å; V135-I143 HydrophobicContact CB-CD1 3.99Å; V135-I143 HydrophobicContact CG2-CD1 4.49Å
136P81.8Confident83.1Confident55 Ų5557.7 Ų57.736%0.35728%0.284SS..THydrogen-bonded Turntrans-62-28.1-174.624.4-34.7000111M100 S131 F134 K138M100-P136 VanDerWaalsContact CE-C 3.4Å; M100-P136 HydrophobicContact CE-CB 3.37Å; M100-P136 WeakPolarHBondContact CE-O 3.31Å; S131-P136 WeakPolarHBondContact O-CA 3.2Å; F134-P136 VanDerWaalsContact C-CD 3.42Å; P136-K138 PolarHBondContact O-N 2.71Å; P136-K138 VanDerWaalsContact O-N 3.16Å
137T77.3Confident83.1Confident50 Ų5054.1 Ų54.131%0.30727%0.266SS..THydrogen-bonded Turntrans-66.3-10.4174.3530000115.3E111 V135E111-T137 PolarHBondContact OE1-OG1 2.93Å; V135-T137 PolarHBondContact O-N 3.4Å; V135-T137 VanDerWaalsContact O-N 3.14Å
138K78Confident83.1Confident6 Ų656.3 Ų56.33%0.02628%0.278CS..SBendtrans-121.7133-179.4-64.2-65.2-173.8-810109.8F106 W107 E111 S131 V135 P136 Q142 I143F106-K138 PolarHBondContact O-NZ 3.48Å; W107-K138 HydrophobicContact CH2-CB 4.47Å; W107-K138 HydrophobicContact CH2-CG 4.18Å; W107-K138 HydrophobicContact CZ2-CG 4.3Å; W107-K138 HydrophobicContact CZ3-CG 4.41Å; E111-K138 VanDerWaalsContact CD-NZ 3.25Å; E111-K138 IonicContact OE1-NZ 2.68Å; E111-K138 PolarHBondContact OE1-NZ 2.9Å; E111-K138 IonicContact OE2-NZ 3.17Å; E111-K138 PolarHBondContact OE2-NZ 3.44Å; E111-K138 VanDerWaalsContact OE2-NZ 3.17Å; S131-K138 WeakPolarHBondContact CB-O 3.43Å; S131-K138 PolarHBondContact OG-O 2.91Å; V135-K138 HydrophobicContact CB-CB 4.36Å; V135-K138 HydrophobicContact CG1-CB 3.66Å; V135-K138 HydrophobicContact CG1-CG 3.44Å; V135-K138 VanDerWaalsContact CG1-CG 3.44Å; V135-K138 PolarHBondContact O-N 3.09Å; P136-K138 PolarHBondContact O-N 2.71Å; P136-K138 VanDerWaalsContact O-N 3.16Å; K138-Q142 HydrophobicContact CB-CB 4.33Å; K138-Q142 HydrophobicContact CD-CB 4.49Å; K138-I143 HydrophobicContact CB-CD1 4.39Å; K138-I143 HydrophobicContact CB-CG1 3.94Å
139T80.1Confident83.2Confident49 Ų4958.2 Ų58.230%0.30128%0.282SS..  trans-68.3153.6177.4680000110.9Y102 M141 Q142 I143Y102-T139 HydrophobicContact CE1-CG2 4.04Å; T139-M141 PolarHBondContact O-N 3.25Å; T139-Q142 WeakPolarHBondContact O-CB 3.5Å; T139-Q142 PolarHBondContact O-N 2.97Å; T139-Q142 WeakPolarHBondContact OG1-CG 3.43Å; T139-Q142 PolarHBondContact OG1-N 3.2Å; T139-I143 WeakPolarHBondContact O-CG1 3.31Å; T139-I143 PolarHBondContact O-N 3.23Å
140P82Confident83Confident47 Ų4756.9 Ų56.931%0.30528%0.279SS..Hα-helixtrans-51-35.1176.8-26.334.1000112.7W127 M128 S131 I143 Y144W127-P140 HydrophobicContact CB-CB 4.05Å; M128-P140 HydrophobicContact CG-CB 4.24Å; M128-P140 HydrophobicContact CG-CG 4.14Å; S131-P140 WeakPolarHBondContact OG-CD 3.41Å; P140-I143 PolarHBondContact O-N 3.05Å; P140-Y144 PolarHBondContact O-N 3.22Å
141M79.7Confident82.7Confident82 Ų8260.6 Ų60.640%0.40430%0.296SS..Hα-helixtrans-68.2-43.1176.4-173.554.117400113T139 I143 Y144 S145T139-M141 PolarHBondContact O-N 3.25Å; M141-I143 VanDerWaalsContact C-N 3.27Å; M141-I143 PolarHBondContact O-N 2.97Å; M141-Y144 PolarHBondContact O-N 3.06Å; M141-Y144 HydrophobicContact SD-CD1 4.03Å; M141-S145 PolarHBondContact O-N 2.88Å
142Q84.5Confident82.2Confident80 Ų8070.2 Ų70.237%0.37433%0.33SS..Hα-helixtrans-61.2-39.2173.3-72.8178.2-5700111.4K138 T139 S145 H146K138-Q142 HydrophobicContact CB-CB 4.33Å; K138-Q142 HydrophobicContact CD-CB 4.49Å; T139-Q142 WeakPolarHBondContact O-CB 3.5Å; T139-Q142 PolarHBondContact O-N 2.97Å; T139-Q142 WeakPolarHBondContact OG1-CG 3.43Å; T139-Q142 PolarHBondContact OG1-N 3.2Å; Q142-S145 PolarHBondContact O-N 3.25Å; Q142-H146 WeakPolarHBondContact O-CB 3.4Å; Q142-H146 PolarHBondContact O-N 3.41Å
143I85.7Confident81.1Confident0 Ų075.8 Ų75.80%035%0.351CS..Hα-helixtrans-64-45.9176.5-62.2-169.5000111W107 F115 W127 I130 V135 K138 T139 P140 M141 H146 A147W107-I143 HydrophobicContact CH2-CG1 4.06Å; F115-I143 HydrophobicContact CD2-CG2 3.48Å; F115-I143 VanDerWaalsContact CD2-CG2 3.48Å; F115-I143 HydrophobicContact CE2-CG2 3.46Å; F115-I143 VanDerWaalsContact CE2-CG2 3.46Å; W127-I143 HydrophobicContact CD2-CG2 4.48Å; W127-I143 HydrophobicContact CE3-CG2 3.69Å; W127-I143 HydrophobicContact CZ3-CG2 4.3Å; I130-I143 HydrophobicContact CB-CD1 4.49Å; I130-I143 HydrophobicContact CG2-CD1 4.03Å; I130-I143 HydrophobicContact CG2-CG2 4.13Å; V135-I143 HydrophobicContact CB-CD1 3.99Å; V135-I143 HydrophobicContact CG2-CD1 4.49Å; K138-I143 HydrophobicContact CB-CD1 4.39Å; K138-I143 HydrophobicContact CB-CG1 3.94Å; T139-I143 WeakPolarHBondContact O-CG1 3.31Å; T139-I143 PolarHBondContact O-N 3.23Å; P140-I143 PolarHBondContact O-N 3.05Å; M141-I143 VanDerWaalsContact C-N 3.27Å; M141-I143 PolarHBondContact O-N 2.97Å; I143-H146 PolarHBondContact O-N 2.89Å; I143-A147 VanDerWaalsContact O-CB 3.31Å; I143-A147 WeakPolarHBondContact O-CB 3.18Å; I143-A147 PolarHBondContact O-N 3.08Å
144Y84Confident80.9Confident99 Ų9975.9 Ų75.939%0.38835%0.349SS..Hα-helixtrans-57.4-49.3175168.3-103.3000112W127 P140 M141 H146 A147 Q148W127-Y144 AromaticContact CE2-CD2 3.98Å; W127-Y144 HydrophobicContact CZ2-CD2 4.33Å; W127-Y144 AromaticContact NE1-CD2 3.5Å; P140-Y144 PolarHBondContact O-N 3.22Å; M141-Y144 PolarHBondContact O-N 3.06Å; M141-Y144 HydrophobicContact SD-CD1 4.03Å; Y144-H146 VanDerWaalsContact C-N 3.29Å; Y144-H146 PolarHBondContact O-N 3.45Å; Y144-A147 WeakPolarHBondContact O-CB 3.43Å; Y144-A147 PolarHBondContact O-N 2.7Å; Y144-Q148 WeakPolarHBondContact O-CB 3.21Å; Y144-Q148 PolarHBondContact O-N 3.32Å
145S83.6Confident80.7Confident69 Ų6978.1 Ų78.148%0.48336%0.359SS..Hα-helixtrans-58.7-42.2178.8-174.60000111.8M141 Q142 Q148 K149M141-S145 PolarHBondContact O-N 2.88Å; Q142-S145 PolarHBondContact O-N 3.25Å; S145-Q148 PolarHBondContact O-N 3.36Å; S145-K149 PolarHBondContact O-N 3.3Å
146H85.5Confident80.5Confident36 Ų3682.3 Ų82.317%0.16738%0.379CS..Hα-helixtrans-66.3-43.3175.6-171.264000112.7W107 H112 F115 Q142 I143 Y144 Q148 K149 F150W107-H146 AromaticContact CD1-CE1 3.88Å; W107-H146 AromaticContact CD1-ND1 3.58Å; W107-H146 HydrophobicContact CD2-CB 4.42Å; W107-H146 AromaticContact CD2-CD2 3.75Å; W107-H146 AromaticContact CD2-CE1 3.79Å; W107-H146 AromaticContact CD2-CG 3.77Å; W107-H146 AromaticContact CD2-ND1 3.83Å; W107-H146 AromaticContact CD2-NE2 3.75Å; W107-H146 VanDerWaalsContact CE2-CB 3.46Å; W107-H146 AromaticContact CE2-CD2 3.64Å; W107-H146 AromaticContact CE2-CE1 4Å; W107-H146 AromaticContact CE2-CG 3.26Å; W107-H146 AromaticContact CE2-ND1 3.55Å; W107-H146 AromaticContact CE3-CD2 3.84Å; W107-H146 AromaticContact CE3-NE2 3.88Å; W107-H146 AromaticContact CG-CE1 3.75Å; W107-H146 AromaticContact CG-ND1 3.87Å; W107-H146 HydrophobicContact CH2-CB 3.9Å; W107-H146 AromaticContact CH2-CD2 3.69Å; W107-H146 AromaticContact CH2-CG 3.93Å; W107-H146 HydrophobicContact CZ2-CB 3.16Å; W107-H146 AromaticContact CZ2-CD2 3.65Å; W107-H146 AromaticContact CZ2-CG 3.39Å; W107-H146 AromaticContact CZ3-CD2 3.8Å; W107-H146 AromaticContact NE1-CG 3.53Å; W107-H146 AromaticContact NE1-ND1 3.37Å; W107-H146 PolarHBondContact NE1-ND1 2.95Å; H112-H146 AromaticContact CE1-NE2 3.71Å; H112-H146 AromaticContact ND1-NE2 3.16Å; H112-H146 PolarHBondContact ND1-NE2 3.34Å; H112-H146 VanDerWaalsContact ND1-NE2 3.16Å; F115-H146 AromaticContact CD1-CD2 3.83Å; F115-H146 AromaticContact CE1-CD2 3.82Å; Q142-H146 WeakPolarHBondContact O-CB 3.4Å; Q142-H146 PolarHBondContact O-N 3.41Å; I143-H146 PolarHBondContact O-N 2.89Å; Y144-H146 VanDerWaalsContact C-N 3.29Å; Y144-H146 PolarHBondContact O-N 3.45Å; H146-Q148 VanDerWaalsContact C-N 3.33Å; H146-Q148 PolarHBondContact O-N 3.35Å; H146-K149 PolarHBondContact O-N 3.39Å; H146-F150 WeakPolarHBondContact O-CB 3.46Å; H146-F150 PolarHBondContact O-N 3.37Å
147A85Confident80.4Confident1 Ų183.9 Ų83.91%0.00838%0.38CS..Hα-helixtrans-60.1-43.9176.500000111.6F115 W127 I143 Y144 K149 F150 F151F115-A147 HydrophobicContact CE2-CB 3.88Å; F115-A147 HydrophobicContact CZ-CB 3.51Å; W127-A147 HydrophobicContact CH2-CB 3.52Å; W127-A147 HydrophobicContact CZ2-CB 4.15Å; W127-A147 HydrophobicContact CZ3-CB 3.77Å; I143-A147 VanDerWaalsContact O-CB 3.31Å; I143-A147 WeakPolarHBondContact O-CB 3.18Å; I143-A147 PolarHBondContact O-N 3.08Å; Y144-A147 WeakPolarHBondContact O-CB 3.43Å; Y144-A147 PolarHBondContact O-N 2.7Å; A147-K149 VanDerWaalsContact C-N 3.32Å; A147-K149 PolarHBondContact O-N 3.42Å; A147-F150 PolarHBondContact O-N 2.97Å; A147-F151 HydrophobicContact CB-CD2 4.3Å; A147-F151 HydrophobicContact CB-CE2 4.02Å; A147-F151 WeakPolarHBondContact O-CD2 3.19Å; A147-F151 PolarHBondContact O-N 2.66Å
148Q84Confident80.6Confident86 Ų8686.1 Ų86.140%0.40238%0.384SS..Hα-helixtrans-59.6-43.6177.3-169-174.52100111.3Y144 S145 H146 R152Y144-Q148 WeakPolarHBondContact O-CB 3.21Å; Y144-Q148 PolarHBondContact O-N 3.32Å; S145-Q148 PolarHBondContact O-N 3.36Å; H146-Q148 VanDerWaalsContact C-N 3.33Å; H146-Q148 PolarHBondContact O-N 3.35Å; Q148-R152 WeakPolarHBondContact O-CB 3.48Å; Q148-R152 VanDerWaalsContact O-CG 3.26Å; Q148-R152 WeakPolarHBondContact O-CG 3.4Å; Q148-R152 PolarHBondContact O-N 3.28Å
149K85.4Confident80.8Confident160 Ų16091.4 Ų91.470%0.69641%0.408SS*.Hα-helixtrans-67.8-37.1176-171.6176-178.8178.40112.3S145 H146 A147S145-K149 PolarHBondContact O-N 3.3Å; H146-K149 PolarHBondContact O-N 3.39Å; A147-K149 VanDerWaalsContact C-N 3.32Å; A147-K149 PolarHBondContact O-N 3.42Å
150F82.6Confident80.9Confident85 Ų8594.4 Ų94.437%0.37342%0.416SS..Hα-helixtrans-66.9-45.3179.3-179.1-99.9000112.4H112 L116 H146 A147 R152H112-F150 AromaticContact CE1-CD2 3.83Å; H112-F150 AromaticContact CE1-CE2 3.86Å; H112-F150 AromaticContact NE2-CE2 3.99Å; L116-F150 HydrophobicContact CD2-CE1 3.86Å; L116-F150 HydrophobicContact CD2-CE2 4.11Å; L116-F150 HydrophobicContact CD2-CZ 3.59Å; H146-F150 WeakPolarHBondContact O-CB 3.46Å; H146-F150 PolarHBondContact O-N 3.37Å; A147-F150 PolarHBondContact O-N 2.97Å; F150-R152 VanDerWaalsContact C-N 3.33Å; F150-R152 PolarHBondContact O-N 2.74Å
151F78.4Confident80.8Confident79 Ų7998.1 Ų98.135%0.34643%0.425SS..Hα-helixtrans-77.8-14.8-178.8-65.9-55.2000114.7L119 R124 W127 A147 R153L119-F151 HydrophobicContact CD1-CE1 4.44Å; L119-F151 HydrophobicContact CD1-CE2 4.37Å; L119-F151 HydrophobicContact CD1-CZ 3.69Å; L119-F151 HydrophobicContact CD2-CE2 4.23Å; L119-F151 HydrophobicContact CD2-CZ 3.88Å; L119-F151 HydrophobicContact CG-CZ 4.46Å; R124-F151 HydrophobicContact CG-CE2 4.21Å; R124-F151 HydrophobicContact CG-CZ 4.14Å; W127-F151 HydrophobicContact CH2-CE2 4.41Å; A147-F151 HydrophobicContact CB-CD2 4.3Å; A147-F151 HydrophobicContact CB-CE2 4.02Å; A147-F151 WeakPolarHBondContact O-CD2 3.19Å; A147-F151 PolarHBondContact O-N 2.66Å; F151-R153 PolarHBondContact O-N 3.01Å
152R72.6Confident80.9Confident214 Ų21499.4 Ų99.481%0.80843%0.426SS*.THydrogen-bonded Turntrans-78.21.2175.8-84.3-173.561-177.8-2.5113.8Q148 F150Q148-R152 WeakPolarHBondContact O-CB 3.48Å; Q148-R152 VanDerWaalsContact O-CG 3.26Å; Q148-R152 WeakPolarHBondContact O-CG 3.4Å; Q148-R152 PolarHBondContact O-N 3.28Å; F150-R152 VanDerWaalsContact C-N 3.33Å; F150-R152 PolarHBondContact O-N 2.74Å
153R59Low80.5Confident284 Ų284101.2 Ų101.2100%1.07243%0.431SS*.  trans-114.50-178.3-164.8161.1-172.6134.2-1.2110.2F151F151-R153 PolarHBondContact O-N 3.01Å

Retrieved 153 of 153 residues in 90.7 ms (Link to these results)

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