A0A077ZFA4_TRITR Loading...

Xpo1 domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZFA4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 914 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
1M51.6Low77.2Confident145 Ų14564.6 Ų64.671%0.71436%0.364SS*.  0120.40-75.5-179.8101.700109.5C3 D37M1-C3 PolarHBondContact O-N 3.27Å; M1-C3 VanDerWaalsContact O-N 3.09Å; M1-D37 PolarHBondContact N-OD2 2.87Å
2S57.8Low78.2Confident129 Ų12959.7 Ų59.790%0.90234%0.335SS*.  trans-76.592.1166.556.60000108.7
3C69.8Low78.9Confident14 Ų1465.2 Ų65.210%0.09536%0.357CS..  trans-85136.6173.756.60000110.2M1 V8 F30 V34 T43M1-C3 PolarHBondContact O-N 3.27Å; M1-C3 VanDerWaalsContact O-N 3.09Å; C3-V8 HydrophobicContact CB-CG2 4.42Å; C3-F30 HydrophobicContact CB-CZ 4.25Å; C3-V34 HydrophobicContact CB-CG2 4.22Å; C3-T43 PolarHBondContact O-OG1 3.19Å; C3-T43 VanDerWaalsContact O-OG1 3.08Å
4S77.8Confident79.6Confident45 Ų4567.2 Ų67.232%0.31536%0.363SS..  trans-82157172.380.70000110.4E6 D7 V8S4-E6 VanDerWaalsContact C-N 3.26Å; S4-E6 PolarHBondContact O-N 2.87Å; S4-D7 WeakPolarHBondContact CB-OD2 3.43Å; S4-D7 PolarHBondContact N-OD2 3.37Å; S4-D7 PolarHBondContact O-N 3.36Å; S4-D7 PolarHBondContact OG-N 3.46Å; S4-D7 PolarHBondContact OG-OD2 3.21Å; S4-V8 PolarHBondContact O-N 3.19Å
5K79.1Confident80.2Confident47 Ų4766.9 Ų66.920%0.20436%0.357CS..Hα-helixtrans-54.4-45175.9-173.3-159.8166.1-168.60111.9D7 V8 E9 L47K5-D7 VanDerWaalsContact C-N 3.31Å; K5-D7 PolarHBondContact O-N 3.43Å; K5-V8 PolarHBondContact O-N 3.41Å; K5-E9 WeakPolarHBondContact CE-OE1 3.35Å; K5-E9 IonicContact NZ-OE1 3.82Å; K5-E9 PolarHBondContact NZ-OE1 2.89Å; K5-E9 PolarHBondContact O-N 3.02Å; K5-L47 HydrophobicContact CD-CD2 4.25Å; K5-L47 HydrophobicContact CG-CD2 3.39Å; K5-L47 HydrophobicContact CG-CG 4.21Å
6E82.6Confident80.6Confident147 Ų14770.8 Ų70.869%0.68737%0.366SS*.Hα-helixtrans-64.4-36.9-175.8-68.8149.8-169.200111.3S4 V8 A10S4-E6 VanDerWaalsContact C-N 3.26Å; S4-E6 PolarHBondContact O-N 2.87Å; E6-V8 PolarHBondContact O-N 3.48Å; E6-A10 VanDerWaalsContact O-CB 3.23Å; E6-A10 WeakPolarHBondContact O-CB 3.43Å; E6-A10 PolarHBondContact O-N 3.29Å
7D85.6Confident80.9Confident82 Ų8271.1 Ų71.144%0.43938%0.376SS..Hα-helixtrans-64-41.2175.8-58.6-41000111.6S4 K5 A11 F30S4-D7 WeakPolarHBondContact CB-OD2 3.43Å; S4-D7 PolarHBondContact N-OD2 3.37Å; S4-D7 PolarHBondContact O-N 3.36Å; S4-D7 PolarHBondContact OG-N 3.46Å; S4-D7 PolarHBondContact OG-OD2 3.21Å; K5-D7 VanDerWaalsContact C-N 3.31Å; K5-D7 PolarHBondContact O-N 3.43Å; D7-A11 VanDerWaalsContact O-CB 3.3Å; D7-A11 WeakPolarHBondContact O-CB 3.49Å; D7-A11 PolarHBondContact O-N 3.1Å; D7-F30 HydrophobicContact CB-CE1 4.4Å; D7-F30 HydrophobicContact CB-CZ 3.94Å
8V85.4Confident81.1Confident1 Ų168.7 Ų68.71%0.00637%0.365CS..Hα-helixtrans-68.2-46.8179.6178.90000110.8C3 S4 K5 E6 A10 A11 I12 F30 L31 V34 L47 F59C3-V8 HydrophobicContact CB-CG2 4.42Å; S4-V8 PolarHBondContact O-N 3.19Å; K5-V8 PolarHBondContact O-N 3.41Å; E6-V8 PolarHBondContact O-N 3.48Å; V8-A10 VanDerWaalsContact C-N 3.34Å; V8-A10 PolarHBondContact O-N 2.65Å; V8-A11 PolarHBondContact O-N 3.18Å; V8-I12 HydrophobicContact CG1-CD1 4.03Å; V8-I12 VanDerWaalsContact O-CG1 3.31Å; V8-I12 WeakPolarHBondContact O-CG1 3.29Å; V8-I12 PolarHBondContact O-N 3.33Å; V8-F30 HydrophobicContact CG2-CE1 4.36Å; V8-L31 HydrophobicContact CG1-CD2 4.26Å; V8-V34 HydrophobicContact CG2-CG1 4.42Å; V8-L47 HydrophobicContact CB-CD1 4.35Å; V8-L47 HydrophobicContact CG1-CD1 3.91Å; V8-F59 HydrophobicContact CG1-CD1 3.76Å; V8-F59 HydrophobicContact CG1-CE1 3.54Å
9E85.2Confident81.2Confident55 Ų5571.9 Ų71.926%0.25739%0.388SS..Hα-helixtrans-60.8-43.7176.6-73.9-178.1161.900111.4K5 I12 Q13 L47 T56K5-E9 WeakPolarHBondContact CE-OE1 3.35Å; K5-E9 IonicContact NZ-OE1 3.82Å; K5-E9 PolarHBondContact NZ-OE1 2.89Å; K5-E9 PolarHBondContact O-N 3.02Å; E9-I12 PolarHBondContact O-N 2.96Å; E9-Q13 WeakPolarHBondContact O-CB 3.37Å; E9-Q13 PolarHBondContact O-N 3.37Å; E9-L47 HydrophobicContact CG-CD2 4.26Å; E9-T56 HydrophobicContact CG-CG2 3.97Å
10A87.1Confident81.5Confident40 Ų4071.8 Ų71.833%0.33139%0.387SS..Hα-helixtrans-62.2-43.6176.500000111.9E6 V8 Q13 Q14E6-A10 VanDerWaalsContact O-CB 3.23Å; E6-A10 WeakPolarHBondContact O-CB 3.43Å; E6-A10 PolarHBondContact O-N 3.29Å; V8-A10 VanDerWaalsContact C-N 3.34Å; V8-A10 PolarHBondContact O-N 2.65Å; A10-Q13 PolarHBondContact O-N 3.19Å; A10-Q14 WeakPolarHBondContact O-CB 3.36Å; A10-Q14 VanDerWaalsContact O-CG 3.26Å; A10-Q14 WeakPolarHBondContact O-CG 3.44Å; A10-Q14 PolarHBondContact O-N 2.93Å
11A87.4Confident81.7Confident6 Ų672.7 Ų72.75%0.0540%0.397CS..Hα-helixtrans-64.8-41.2177.800000112.1D7 V8 Q13 Q14 F15 A27 F30 L31D7-A11 VanDerWaalsContact O-CB 3.3Å; D7-A11 WeakPolarHBondContact O-CB 3.49Å; D7-A11 PolarHBondContact O-N 3.1Å; V8-A11 PolarHBondContact O-N 3.18Å; A11-Q13 VanDerWaalsContact C-N 3.35Å; A11-Q14 PolarHBondContact O-N 3.48Å; A11-F15 WeakPolarHBondContact O-CB 3.18Å; A11-F15 PolarHBondContact O-N 2.94Å; A11-A27 HydrophobicContact CB-CB 4.5Å; A11-A27 WeakPolarHBondContact O-CB 3.33Å; A11-F30 HydrophobicContact CB-CD1 3.55Å; A11-F30 HydrophobicContact CB-CE1 3.96Å; A11-L31 HydrophobicContact CB-CD2 3.95Å; A11-L31 HydrophobicContact CB-CG 4.08Å
12I88.4Confident83.3Confident5 Ų569.4 Ų69.43%0.02639%0.388CS..Hα-helixtrans-62.5-45.1174.6-67.5172.8000110.3V8 E9 Q14 F15 Y16 L31 R55 T56 F59V8-I12 HydrophobicContact CG1-CD1 4.03Å; V8-I12 VanDerWaalsContact O-CG1 3.31Å; V8-I12 WeakPolarHBondContact O-CG1 3.29Å; V8-I12 PolarHBondContact O-N 3.33Å; E9-I12 PolarHBondContact O-N 2.96Å; I12-Q14 PolarHBondContact O-N 3.2Å; I12-F15 PolarHBondContact O-N 2.83Å; I12-Y16 HydrophobicContact CG2-CD2 3.96Å; I12-Y16 HydrophobicContact CG2-CE2 4.11Å; I12-Y16 WeakPolarHBondContact O-CD2 3.31Å; I12-Y16 PolarHBondContact O-N 3.38Å; I12-Y16 VanDerWaalsContact O-N 3.16Å; I12-L31 HydrophobicContact CD1-CD2 4.5Å; I12-L31 HydrophobicContact CG1-CD1 4.03Å; I12-L31 HydrophobicContact CG1-CD2 3.72Å; I12-R55 HydrophobicContact CG2-CB 4.06Å; I12-T56 HydrophobicContact CD1-CG2 4.35Å; I12-F59 HydrophobicContact CD1-CB 3.57Å; I12-F59 HydrophobicContact CD1-CD1 3.75Å; I12-F59 HydrophobicContact CD1-CG 3.7Å; I12-F59 HydrophobicContact CG1-CB 4.44Å; I12-F59 HydrophobicContact CG1-CG 4.33Å
13Q87.4Confident84.7Confident131 Ų13165.4 Ų65.461%0.61236%0.358SS*.Hα-helixtrans-61.3-46.4177.3-172.2173.91.400111E9 A10 A11 F15 Y16 S17E9-Q13 WeakPolarHBondContact O-CB 3.37Å; E9-Q13 PolarHBondContact O-N 3.37Å; A10-Q13 PolarHBondContact O-N 3.19Å; A11-Q13 VanDerWaalsContact C-N 3.35Å; Q13-F15 PolarHBondContact O-N 3.49Å; Q13-Y16 PolarHBondContact O-N 3.09Å; Q13-S17 VanDerWaalsContact O-CB 3.27Å; Q13-S17 WeakPolarHBondContact O-CB 3.5Å; Q13-S17 PolarHBondContact O-N 3.47Å; Q13-S17 PolarHBondContact O-OG 2.88Å
14Q88.9Confident85.5Confident94 Ų9469.6 Ų69.644%0.43937%0.372SS..Hα-helixtrans-61-42.6176.8-74.7174.96.800112.1A10 A11 I12 Y16 S18 V23 A27A10-Q14 WeakPolarHBondContact O-CB 3.36Å; A10-Q14 VanDerWaalsContact O-CG 3.26Å; A10-Q14 WeakPolarHBondContact O-CG 3.44Å; A10-Q14 PolarHBondContact O-N 2.93Å; A11-Q14 PolarHBondContact O-N 3.48Å; I12-Q14 PolarHBondContact O-N 3.2Å; Q14-Y16 PolarHBondContact O-N 3.4Å; Q14-S18 WeakPolarHBondContact O-CB 3.33Å; Q14-S18 PolarHBondContact O-N 3.23Å; Q14-V23 HydrophobicContact CB-CG1 4.23Å; Q14-V23 HydrophobicContact CG-CG1 4.45Å; Q14-A27 HydrophobicContact CB-CB 4.09Å
15F89.2Confident85.9Confident63 Ų6374.1 Ų74.128%0.27639%0.386SS..Hα-helixtrans-59.9-42.5179.2178.8-105.2000112.6A11 I12 Q13 R24 A27 H28 L31A11-F15 WeakPolarHBondContact O-CB 3.18Å; A11-F15 PolarHBondContact O-N 2.94Å; I12-F15 PolarHBondContact O-N 2.83Å; Q13-F15 PolarHBondContact O-N 3.49Å; F15-R24 WeakPolarHBondContact O-CD 3.42Å; F15-R24 WeakPolarHBondContact O-CG 3.48Å; F15-A27 HydrophobicContact CB-CB 4.15Å; F15-H28 HydrophobicContact CD2-CB 3.89Å; F15-H28 HydrophobicContact CE2-CB 3.81Å; F15-H28 AromaticContact CE2-ND1 3.81Å; F15-L31 HydrophobicContact CB-CD1 4.22Å
16Y85.7Confident86.4Confident129 Ų12978.7 Ų78.751%0.50641%0.408SS..Hα-helixtrans-88.7-28-178.1-75.9-71.1000114.7I12 Q13 Q14 R55I12-Y16 HydrophobicContact CG2-CD2 3.96Å; I12-Y16 HydrophobicContact CG2-CE2 4.11Å; I12-Y16 WeakPolarHBondContact O-CD2 3.31Å; I12-Y16 PolarHBondContact O-N 3.38Å; I12-Y16 VanDerWaalsContact O-N 3.16Å; Q13-Y16 PolarHBondContact O-N 3.09Å; Q14-Y16 PolarHBondContact O-N 3.4Å; Y16-R55 HydrophobicContact CE2-CB 4.24Å; Y16-R55 HydrophobicContact CE2-CG 4.36Å
17S86.4Confident86.6Confident76 Ų7671.9 Ų71.953%0.53138%0.376SS..Hα-helixtrans-104.5-18.2-17368.10000114.7Q13 V19Q13-S17 VanDerWaalsContact O-CB 3.27Å; Q13-S17 WeakPolarHBondContact O-CB 3.5Å; Q13-S17 PolarHBondContact O-N 3.47Å; Q13-S17 PolarHBondContact O-OG 2.88Å; S17-V19 PolarHBondContact O-N 3.35Å
18S84.9Confident86.7Confident27 Ų2771.7 Ų71.719%0.18937%0.373CS..  trans-74.2129.1-178.9-176.20000111.5Q14 D20 R24Q14-S18 WeakPolarHBondContact O-CB 3.33Å; Q14-S18 PolarHBondContact O-N 3.23Å; S18-D20 VanDerWaalsContact C-N 3.33Å; S18-D20 PolarHBondContact OG-N 3.32Å; S18-D20 PolarHBondContact OG-O 3.16Å; S18-R24 WeakPolarHBondContact O-CD 3.45Å; S18-R24 PolarHBondContact O-NE 3.33Å
19V83.4Confident86.9Confident130 Ų13075.8 Ų75.879%0.78840%0.395SS*.  trans-73.6-31.4172.2-172.60000110.3S17 P21 R24S17-V19 PolarHBondContact O-N 3.35Å; V19-P21 WeakPolarHBondContact O-CD 3.35Å; V19-R24 PolarHBondContact O-NH2 3.46Å
20D85.7Confident87.1Confident70 Ų7075.7 Ų75.737%0.37439%0.394SS..  trans-71.2118.6-176.9-176.92.6000111.8S18 S22 V23 R24S18-D20 VanDerWaalsContact C-N 3.33Å; S18-D20 PolarHBondContact OG-N 3.32Å; S18-D20 PolarHBondContact OG-O 3.16Å; D20-S22 VanDerWaalsContact C-N 3.29Å; D20-S22 VanDerWaalsContact CG-OG 3.25Å; D20-S22 PolarHBondContact O-N 2.67Å; D20-S22 PolarHBondContact OD1-N 3.18Å; D20-S22 PolarHBondContact OD1-OG 3.17Å; D20-S22 PolarHBondContact OD2-OG 3.03Å; D20-V23 HydrophobicContact CB-CB 4.3Å; D20-V23 HydrophobicContact CB-CG2 4.15Å; D20-V23 PolarHBondContact O-N 3.23Å; D20-V23 WeakPolarHBondContact OD2-CG2 3.44Å; D20-R24 PolarHBondContact O-N 2.87Å; D20-R24 VanDerWaalsContact O-N 3.16Å
21P86.3Confident87.1Confident91 Ų9174.3 Ų74.359%0.59138%0.381SS*.Hα-helixtrans-58.1-33.3175-22.233.4000114.3V19 K25V19-P21 WeakPolarHBondContact O-CD 3.35Å; P21-K25 WeakPolarHBondContact O-CB 3.46Å; P21-K25 PolarHBondContact O-N 3.19Å
22S86.2Confident87Confident76 Ų7677.6 Ų77.653%0.53140%0.397SS..Hα-helixtrans-66.3-48.3179.614.90000111.8D20 R24 K25 E26D20-S22 VanDerWaalsContact C-N 3.29Å; D20-S22 VanDerWaalsContact CG-OG 3.25Å; D20-S22 PolarHBondContact O-N 2.67Å; D20-S22 PolarHBondContact OD1-N 3.18Å; D20-S22 PolarHBondContact OD1-OG 3.17Å; D20-S22 PolarHBondContact OD2-OG 3.03Å; S22-R24 VanDerWaalsContact C-N 3.32Å; S22-R24 PolarHBondContact O-N 2.86Å; S22-K25 WeakPolarHBondContact O-CB 3.05Å; S22-K25 PolarHBondContact O-N 2.95Å; S22-K25 VanDerWaalsContact O-N 3.15Å; S22-E26 PolarHBondContact O-N 3.49Å
23V85.8Confident86.8Confident44 Ų4479.1 Ų79.127%0.26741%0.41SS..Hα-helixtrans-62.4-40.5177.9174.90000110.9Q14 D20 K25 E26 A27Q14-V23 HydrophobicContact CB-CG1 4.23Å; Q14-V23 HydrophobicContact CG-CG1 4.45Å; D20-V23 HydrophobicContact CB-CB 4.3Å; D20-V23 HydrophobicContact CB-CG2 4.15Å; D20-V23 PolarHBondContact O-N 3.23Å; D20-V23 WeakPolarHBondContact OD2-CG2 3.44Å; V23-K25 VanDerWaalsContact C-N 3.33Å; V23-K25 PolarHBondContact O-N 3.31Å; V23-E26 PolarHBondContact O-N 3.35Å; V23-A27 WeakPolarHBondContact O-CB 3.3Å; V23-A27 PolarHBondContact O-N 2.92Å
24R86.1Confident86.6Confident102 Ų10273.2 Ų73.239%0.38538%0.383SS..Hα-helixtrans-61.7-40.5174.6-76.5-170.8-83.9169.4-9.4112.2F15 S18 V19 D20 S22 H28F15-R24 WeakPolarHBondContact O-CD 3.42Å; F15-R24 WeakPolarHBondContact O-CG 3.48Å; S18-R24 WeakPolarHBondContact O-CD 3.45Å; S18-R24 PolarHBondContact O-NE 3.33Å; V19-R24 PolarHBondContact O-NH2 3.46Å; D20-R24 PolarHBondContact O-N 2.87Å; D20-R24 VanDerWaalsContact O-N 3.16Å; S22-R24 VanDerWaalsContact C-N 3.32Å; S22-R24 PolarHBondContact O-N 2.86Å; R24-H28 VanDerWaalsContact O-CB 3.22Å; R24-H28 WeakPolarHBondContact O-CB 3.29Å; R24-H28 PolarHBondContact O-N 3.49Å
25K87.4Confident86.3Confident141 Ų14170.2 Ų70.261%0.61337%0.369SS*.Hα-helixtrans-67.1-41.3177.6-173177.2179.91800111.9P21 S22 V23 H28 N29P21-K25 WeakPolarHBondContact O-CB 3.46Å; P21-K25 PolarHBondContact O-N 3.19Å; S22-K25 WeakPolarHBondContact O-CB 3.05Å; S22-K25 PolarHBondContact O-N 2.95Å; S22-K25 VanDerWaalsContact O-N 3.15Å; V23-K25 VanDerWaalsContact C-N 3.33Å; V23-K25 PolarHBondContact O-N 3.31Å; K25-H28 PolarHBondContact O-N 3.1Å; K25-N29 WeakPolarHBondContact O-CB 3.3Å; K25-N29 PolarHBondContact O-N 3.31Å; K25-N29 PolarHBondContact O-ND2 3.32Å
26E89.4Confident85.6Confident143 Ų14371.6 Ų71.667%0.66839%0.387SS*.Hα-helixtrans-64.6-48.6177.3-171.4174.6-17300111.5S22 V23 H28 N29 F30S22-E26 PolarHBondContact O-N 3.49Å; V23-E26 PolarHBondContact O-N 3.35Å; E26-H28 VanDerWaalsContact C-N 3.3Å; E26-H28 PolarHBondContact O-N 3.43Å; E26-N29 PolarHBondContact O-N 3.38Å; E26-F30 PolarHBondContact O-N 2.63Å
27A87.1Confident85.2Confident3 Ų367 Ų673%0.02537%0.371CS..Hα-helixtrans-58.9-41.6173.800000111.8A11 Q14 F15 V23 F30 L31A11-A27 HydrophobicContact CB-CB 4.5Å; A11-A27 WeakPolarHBondContact O-CB 3.33Å; Q14-A27 HydrophobicContact CB-CB 4.09Å; F15-A27 HydrophobicContact CB-CB 4.15Å; V23-A27 WeakPolarHBondContact O-CB 3.3Å; V23-A27 PolarHBondContact O-N 2.92Å; A27-F30 PolarHBondContact O-N 2.63Å; A27-L31 WeakPolarHBondContact O-CB 2.94Å; A27-L31 VanDerWaalsContact O-CG 3.22Å; A27-L31 WeakPolarHBondContact O-CG 3.36Å; A27-L31 PolarHBondContact O-N 3.24Å
28H88Confident84.4Confident78 Ų7866.5 Ų66.536%0.36137%0.366SS..Hα-helixtrans-61.9-46.5175.8-17660.6000112.4F15 R24 K25 E26 F30 L31 L32F15-H28 HydrophobicContact CD2-CB 3.89Å; F15-H28 HydrophobicContact CE2-CB 3.81Å; F15-H28 AromaticContact CE2-ND1 3.81Å; R24-H28 VanDerWaalsContact O-CB 3.22Å; R24-H28 WeakPolarHBondContact O-CB 3.29Å; R24-H28 PolarHBondContact O-N 3.49Å; K25-H28 PolarHBondContact O-N 3.1Å; E26-H28 VanDerWaalsContact C-N 3.3Å; E26-H28 PolarHBondContact O-N 3.43Å; H28-F30 VanDerWaalsContact C-N 3.32Å; H28-F30 PolarHBondContact O-N 3.2Å; H28-L31 PolarHBondContact O-N 3.31Å; H28-L32 WeakPolarHBondContact NE2-CD1 3.32Å; H28-L32 WeakPolarHBondContact O-CB 3.48Å; H28-L32 WeakPolarHBondContact O-CG 3.47Å; H28-L32 PolarHBondContact O-N 3.08Å
29N88.1Confident83.9Confident87 Ų8768.3 Ų68.347%0.46538%0.382SS..Hα-helixtrans-62.4-40.1177.7-71.6-16000111.7K25 E26 L32 A33K25-N29 WeakPolarHBondContact O-CB 3.3Å; K25-N29 PolarHBondContact O-N 3.31Å; K25-N29 PolarHBondContact O-ND2 3.32Å; E26-N29 PolarHBondContact O-N 3.38Å; N29-L32 PolarHBondContact O-N 3.33Å; N29-A33 WeakPolarHBondContact O-CB 3.03Å; N29-A33 PolarHBondContact O-N 3.35Å
30F89.3Confident83.6Confident54 Ų5462.1 Ų62.124%0.23734%0.344CS..Hα-helixtrans-61.3-48.5173.9177-94.9000111.5C3 D7 V8 A11 E26 A27 H28 L32 A33 V34C3-F30 HydrophobicContact CB-CZ 4.25Å; D7-F30 HydrophobicContact CB-CE1 4.4Å; D7-F30 HydrophobicContact CB-CZ 3.94Å; V8-F30 HydrophobicContact CG2-CE1 4.36Å; A11-F30 HydrophobicContact CB-CD1 3.55Å; A11-F30 HydrophobicContact CB-CE1 3.96Å; E26-F30 PolarHBondContact O-N 2.63Å; A27-F30 PolarHBondContact O-N 2.63Å; H28-F30 VanDerWaalsContact C-N 3.32Å; H28-F30 PolarHBondContact O-N 3.2Å; F30-L32 VanDerWaalsContact C-N 3.33Å; F30-L32 PolarHBondContact O-N 3.22Å; F30-A33 WeakPolarHBondContact O-CB 3.48Å; F30-A33 PolarHBondContact O-N 2.92Å; F30-A33 VanDerWaalsContact O-N 3.15Å; F30-V34 HydrophobicContact CD1-CG2 4.27Å; F30-V34 HydrophobicContact CE1-CG2 3.86Å; F30-V34 HydrophobicContact CE2-CG2 4.45Å; F30-V34 HydrophobicContact CZ-CG2 3.96Å; F30-V34 WeakPolarHBondContact O-CG2 3.4Å; F30-V34 PolarHBondContact O-N 3.21Å
31L88Confident83.2Confident11 Ų1159.5 Ų59.56%0.05833%0.33CS..Hα-helixtrans-63.3-37.4178.7-70.4173.7000112.5V8 A11 I12 F15 A27 H28 V34 Q35 F59V8-L31 HydrophobicContact CG1-CD2 4.26Å; A11-L31 HydrophobicContact CB-CD2 3.95Å; A11-L31 HydrophobicContact CB-CG 4.08Å; I12-L31 HydrophobicContact CD1-CD2 4.5Å; I12-L31 HydrophobicContact CG1-CD1 4.03Å; I12-L31 HydrophobicContact CG1-CD2 3.72Å; F15-L31 HydrophobicContact CB-CD1 4.22Å; A27-L31 WeakPolarHBondContact O-CB 2.94Å; A27-L31 VanDerWaalsContact O-CG 3.22Å; A27-L31 WeakPolarHBondContact O-CG 3.36Å; A27-L31 PolarHBondContact O-N 3.24Å; H28-L31 PolarHBondContact O-N 3.31Å; L31-V34 PolarHBondContact O-N 3.07Å; L31-Q35 WeakPolarHBondContact O-CB 2.99Å; L31-Q35 WeakPolarHBondContact O-CG 3.46Å; L31-Q35 PolarHBondContact O-N 3.3Å; L31-F59 HydrophobicContact CB-CE2 3.67Å; L31-F59 HydrophobicContact CB-CZ 3.95Å; L31-F59 HydrophobicContact CD2-CD1 4.39Å; L31-F59 HydrophobicContact CD2-CD2 4.22Å; L31-F59 HydrophobicContact CD2-CE1 3.85Å; L31-F59 HydrophobicContact CD2-CE2 3.68Å; L31-F59 HydrophobicContact CD2-CZ 3.46Å; L31-F59 VanDerWaalsContact CD2-CZ 3.46Å; L31-F59 HydrophobicContact CG-CE2 4.14Å; L31-F59 HydrophobicContact CG-CZ 4.28Å; L31-F59 WeakPolarHBondContact O-CZ 3.46Å
32L86.1Confident82.9Confident75 Ų7561.5 Ų61.539%0.39333%0.332SS..Hα-helixtrans-64.9-41.6172.5-74.8178.9000111.9H28 N29 F30 Q35 S36H28-L32 WeakPolarHBondContact NE2-CD1 3.32Å; H28-L32 WeakPolarHBondContact O-CB 3.48Å; H28-L32 WeakPolarHBondContact O-CG 3.47Å; H28-L32 PolarHBondContact O-N 3.08Å; N29-L32 PolarHBondContact O-N 3.33Å; F30-L32 VanDerWaalsContact C-N 3.33Å; F30-L32 PolarHBondContact O-N 3.22Å; L32-Q35 WeakPolarHBondContact O-CB 3.46Å; L32-Q35 PolarHBondContact O-N 3.23Å; L32-S36 PolarHBondContact O-N 3.1Å; L32-S36 PolarHBondContact O-OG 3.46Å
33A83.8Confident82.6Confident37 Ų3758.7 Ų58.731%0.30631%0.312SS..Hα-helixtrans-61.1-45.5176.200000110.9N29 F30 Q35 S36 D37N29-A33 WeakPolarHBondContact O-CB 3.03Å; N29-A33 PolarHBondContact O-N 3.35Å; F30-A33 WeakPolarHBondContact O-CB 3.48Å; F30-A33 PolarHBondContact O-N 2.92Å; F30-A33 VanDerWaalsContact O-N 3.15Å; A33-Q35 PolarHBondContact O-N 3.32Å; A33-S36 PolarHBondContact O-N 3.04Å; A33-S36 PolarHBondContact O-OG 3.06Å; A33-D37 WeakPolarHBondContact O-CB 3.4Å; A33-D37 PolarHBondContact O-N 3.24Å
34V83.5Confident82.5Confident6 Ų656.7 Ų56.74%0.03630%0.299CS..Hα-helixtrans-61-42.6174.7174.80000111.6C3 V8 F30 L31 S36 D37 A40 F59C3-V34 HydrophobicContact CB-CG2 4.22Å; V8-V34 HydrophobicContact CG2-CG1 4.42Å; F30-V34 HydrophobicContact CD1-CG2 4.27Å; F30-V34 HydrophobicContact CE1-CG2 3.86Å; F30-V34 HydrophobicContact CE2-CG2 4.45Å; F30-V34 HydrophobicContact CZ-CG2 3.96Å; F30-V34 WeakPolarHBondContact O-CG2 3.4Å; F30-V34 PolarHBondContact O-N 3.21Å; L31-V34 PolarHBondContact O-N 3.07Å; V34-S36 VanDerWaalsContact C-N 3.27Å; V34-S36 PolarHBondContact O-N 3.28Å; V34-D37 PolarHBondContact O-N 3.37Å; V34-A40 HydrophobicContact CG1-CB 3.86Å; V34-A40 WeakPolarHBondContact O-CB 3.47Å; V34-F59 HydrophobicContact CB-CZ 4.34Å; V34-F59 HydrophobicContact CG1-CE1 4.19Å; V34-F59 HydrophobicContact CG1-CZ 4.21Å
35Q82.7Confident82.3Confident31 Ų3153.6 Ų53.615%0.14529%0.292CS..Hα-helixtrans-61.9-33.1176.1-84.8178.4-1.700113.5L31 L32 A33 F59 N62 C63 I66L31-Q35 WeakPolarHBondContact O-CB 2.99Å; L31-Q35 WeakPolarHBondContact O-CG 3.46Å; L31-Q35 PolarHBondContact O-N 3.3Å; L32-Q35 WeakPolarHBondContact O-CB 3.46Å; L32-Q35 PolarHBondContact O-N 3.23Å; A33-Q35 PolarHBondContact O-N 3.32Å; Q35-F59 HydrophobicContact CG-CE2 3.73Å; Q35-F59 HydrophobicContact CG-CZ 3.95Å; Q35-N62 PolarHBondContact NE2-ND2 3.06Å; Q35-N62 VanDerWaalsContact NE2-ND2 3.11Å; Q35-C63 HydrophobicContact CG-CB 4.4Å; Q35-C63 WeakPolarHBondContact CG-SG 3.48Å; Q35-I66 HydrophobicContact CB-CD1 3.97Å; Q35-I66 HydrophobicContact CG-CD1 3.98Å
36S73.1Confident82.1Confident93 Ų9351.9 Ų51.965%0.6529%0.286SS*.Hα-helixtrans-83.5-13.1-179.366.60000114.2L32 A33 V34 P38L32-S36 PolarHBondContact O-N 3.1Å; L32-S36 PolarHBondContact O-OG 3.46Å; A33-S36 PolarHBondContact O-N 3.04Å; A33-S36 PolarHBondContact O-OG 3.06Å; V34-S36 VanDerWaalsContact C-N 3.27Å; V34-S36 PolarHBondContact O-N 3.28Å; S36-P38 WeakPolarHBondContact O-CD 3.3Å
37D77.7Confident81.9Confident32 Ų3245.1 Ų45.117%0.17126%0.255CS..  trans-95.6114.8-172.7-171.5-7.7000111.8M1 A33 V34 A39 A40M1-D37 PolarHBondContact N-OD2 2.87Å; A33-D37 WeakPolarHBondContact O-CB 3.4Å; A33-D37 PolarHBondContact O-N 3.24Å; V34-D37 PolarHBondContact O-N 3.37Å; D37-A39 PolarHBondContact O-N 3.1Å; D37-A39 VanDerWaalsContact OD1-CB 3.24Å; D37-A39 WeakPolarHBondContact OD1-CB 3.47Å; D37-A39 PolarHBondContact OD1-N 3.04Å; D37-A40 VanDerWaalsContact O-CB 3.25Å; D37-A40 WeakPolarHBondContact O-CB 3.06Å; D37-A40 PolarHBondContact O-N 3.34Å
38P69.6Low81.6Confident66 Ų6645.1 Ų45.143%0.42925%0.254SS..G310 helixtrans-60.2-26.3175.7-2132.8000113.6S36 A40 L41S36-P38 WeakPolarHBondContact O-CD 3.3Å; P38-A40 PolarHBondContact O-N 3.38Å; P38-L41 PolarHBondContact O-N 3.32Å
39A74.6Confident81.3Confident64 Ų6444.8 Ų44.853%0.52926%0.26SS..G310 helixtrans-67.5-18.3177.900000112.5D37 L41D37-A39 PolarHBondContact O-N 3.1Å; D37-A39 VanDerWaalsContact OD1-CB 3.24Å; D37-A39 WeakPolarHBondContact OD1-CB 3.47Å; D37-A39 PolarHBondContact OD1-N 3.04Å; A39-L41 PolarHBondContact O-N 3.29Å
40A76.9Confident80.9Confident0 Ų045.2 Ų45.20%026%0.26CS..G310 helixtrans-68.7-10.7176.700000113.3V34 D37 P38 Q42 T43 V44V34-A40 HydrophobicContact CG1-CB 3.86Å; V34-A40 WeakPolarHBondContact O-CB 3.47Å; D37-A40 VanDerWaalsContact O-CB 3.25Å; D37-A40 WeakPolarHBondContact O-CB 3.06Å; D37-A40 PolarHBondContact O-N 3.34Å; P38-A40 PolarHBondContact O-N 3.38Å; A40-Q42 VanDerWaalsContact C-N 3.32Å; A40-Q42 PolarHBondContact O-N 2.88Å; A40-T43 PolarHBondContact O-N 3.35Å; A40-T43 VanDerWaalsContact O-N 3.15Å; A40-V44 HydrophobicContact CB-CG2 4.32Å; A40-V44 WeakPolarHBondContact O-CB 3.37Å; A40-V44 VanDerWaalsContact O-CG2 3.22Å; A40-V44 WeakPolarHBondContact O-CG2 3.29Å; A40-V44 PolarHBondContact O-N 2.85Å
41L78.3Confident80.3Confident15 Ų1554 Ų548%0.07929%0.291CS..Hα-helixtrans-53.8-45.7-176.2-179.766.8000113.1P38 A39 T43 V44 V45 L64 I67 W72P38-L41 PolarHBondContact O-N 3.32Å; A39-L41 PolarHBondContact O-N 3.29Å; L41-T43 PolarHBondContact O-N 3.16Å; L41-V44 PolarHBondContact O-N 2.59Å; L41-V45 HydrophobicContact CD1-CG2 4.14Å; L41-V45 HydrophobicContact CG-CG2 4.38Å; L41-V45 VanDerWaalsContact O-CG2 3.31Å; L41-V45 WeakPolarHBondContact O-CG2 3.47Å; L41-V45 PolarHBondContact O-N 2.8Å; L41-L64 HydrophobicContact CD1-CD2 3.41Å; L41-L64 VanDerWaalsContact CD1-CD2 3.41Å; L41-I67 HydrophobicContact CB-CD1 4.34Å; L41-I67 HydrophobicContact CD1-CD1 4.4Å; L41-W72 HydrophobicContact CD2-CH2 3.05Å; L41-W72 HydrophobicContact CD2-CZ2 3.13Å; L41-W72 HydrophobicContact CD2-CZ3 3.87Å; L41-W72 HydrophobicContact CG-CH2 4.48Å
42Q79.2Confident80Confident133 Ų13354.5 Ų54.562%0.62130%0.295SS*.Hα-helixtrans-63.3-44.7-179.2-69.8-173.8-2.400111.4A40 V44 V45 Q46A40-Q42 VanDerWaalsContact C-N 3.32Å; A40-Q42 PolarHBondContact O-N 2.88Å; Q42-V44 VanDerWaalsContact C-N 3.32Å; Q42-V44 PolarHBondContact O-N 2.89Å; Q42-V45 PolarHBondContact O-N 2.9Å; Q42-Q46 VanDerWaalsContact O-CG 3.31Å; Q42-Q46 WeakPolarHBondContact O-CG 3.42Å; Q42-Q46 PolarHBondContact O-N 3.27Å
43T80.4Confident80Confident18 Ų1853.6 Ų53.611%0.1129%0.291CS..Hα-helixtrans-61.7-42.5176-50.80000110.9C3 A40 L41 Q46 L47C3-T43 PolarHBondContact O-OG1 3.19Å; C3-T43 VanDerWaalsContact O-OG1 3.08Å; A40-T43 PolarHBondContact O-N 3.35Å; A40-T43 VanDerWaalsContact O-N 3.15Å; L41-T43 PolarHBondContact O-N 3.16Å; T43-Q46 WeakPolarHBondContact O-CB 3.38Å; T43-Q46 PolarHBondContact O-N 2.63Å; T43-L47 WeakPolarHBondContact O-CG 3.15Å; T43-L47 PolarHBondContact O-N 3.04Å
44V83.9Confident80.1Confident1 Ų154.3 Ų54.31%0.00629%0.293CS..Hα-helixtrans-66-41.1179.4171.20000112A40 L41 Q42 L47 L48 A60 C63 L64A40-V44 HydrophobicContact CB-CG2 4.32Å; A40-V44 WeakPolarHBondContact O-CB 3.37Å; A40-V44 VanDerWaalsContact O-CG2 3.22Å; A40-V44 WeakPolarHBondContact O-CG2 3.29Å; A40-V44 PolarHBondContact O-N 2.85Å; L41-V44 PolarHBondContact O-N 2.59Å; Q42-V44 VanDerWaalsContact C-N 3.32Å; Q42-V44 PolarHBondContact O-N 2.89Å; V44-L47 WeakPolarHBondContact O-CB 3.48Å; V44-L47 PolarHBondContact O-N 2.86Å; V44-L48 PolarHBondContact O-N 2.87Å; V44-A60 HydrophobicContact CG1-CB 4.06Å; V44-A60 WeakPolarHBondContact CG1-O 3.48Å; V44-C63 HydrophobicContact CG1-CB 4.12Å; V44-C63 HydrophobicContact CG2-CB 3.71Å; V44-L64 HydrophobicContact CB-CD2 4.45Å; V44-L64 HydrophobicContact CG1-CD1 4.26Å; V44-L64 HydrophobicContact CG1-CD2 3.6Å; V44-L64 HydrophobicContact CG1-CG 3.46Å; V44-L64 VanDerWaalsContact CG1-CG 3.46Å
45V82.3Confident80.4Confident38 Ų3859.5 Ų59.523%0.2331%0.311CS..Hα-helixtrans-64.5-42.3174.4172.30000110.7L41 Q42 L47 L48 S49 L64 L84L41-V45 HydrophobicContact CD1-CG2 4.14Å; L41-V45 HydrophobicContact CG-CG2 4.38Å; L41-V45 VanDerWaalsContact O-CG2 3.31Å; L41-V45 WeakPolarHBondContact O-CG2 3.47Å; L41-V45 PolarHBondContact O-N 2.8Å; Q42-V45 PolarHBondContact O-N 2.9Å; V45-L47 VanDerWaalsContact C-N 3.29Å; V45-L47 PolarHBondContact O-N 3.43Å; V45-L48 PolarHBondContact O-N 3.05Å; V45-L48 VanDerWaalsContact O-N 3.11Å; V45-S49 PolarHBondContact O-N 3.42Å; V45-S49 PolarHBondContact O-OG 3.41Å; V45-L64 HydrophobicContact CG2-CD2 4.49Å; V45-L84 HydrophobicContact CG2-CD1 3.83Å
46Q82.9Confident80.6Confident105 Ų10558 Ų5849%0.49130%0.304SS..Hα-helixtrans-60.4-37175-73.3175.63.500112.8Q42 T43 L48 S49Q42-Q46 VanDerWaalsContact O-CG 3.31Å; Q42-Q46 WeakPolarHBondContact O-CG 3.42Å; Q42-Q46 PolarHBondContact O-N 3.27Å; T43-Q46 WeakPolarHBondContact O-CB 3.38Å; T43-Q46 PolarHBondContact O-N 2.63Å; Q46-L48 VanDerWaalsContact C-N 3.29Å; Q46-L48 PolarHBondContact O-N 3.46Å; Q46-S49 PolarHBondContact O-N 2.86Å
47L84.2Confident81.4Confident1 Ų153.9 Ų53.91%0.00528%0.275CS..Hα-helixtrans-64.5-31.7175.9-73.9169.2000112.6K5 V8 E9 T43 V44 V45 C52 T56 H57 A60K5-L47 HydrophobicContact CD-CD2 4.25Å; K5-L47 HydrophobicContact CG-CD2 3.39Å; K5-L47 HydrophobicContact CG-CG 4.21Å; V8-L47 HydrophobicContact CB-CD1 4.35Å; V8-L47 HydrophobicContact CG1-CD1 3.91Å; E9-L47 HydrophobicContact CG-CD2 4.26Å; T43-L47 WeakPolarHBondContact O-CG 3.15Å; T43-L47 PolarHBondContact O-N 3.04Å; V44-L47 WeakPolarHBondContact O-CB 3.48Å; V44-L47 PolarHBondContact O-N 2.86Å; V45-L47 VanDerWaalsContact C-N 3.29Å; V45-L47 PolarHBondContact O-N 3.43Å; L47-C52 PolarHBondContact O-SG 3.31Å; L47-C52 VanDerWaalsContact O-SG 3.36Å; L47-T56 HydrophobicContact CD2-CG2 3.66Å; L47-H57 PolarHBondContact O-CD2 3.22Å; L47-A60 HydrophobicContact CB-CB 3.84Å; L47-A60 HydrophobicContact CD1-CB 4.28Å
48L81.9Confident82Confident2 Ų255.4 Ų55.41%0.0128%0.28CS..Hα-helixtrans-79.4-35175.8-67.6-175.8000113.1V44 V45 Q46 Q50 A60 L64 L88 F91V44-L48 PolarHBondContact O-N 2.87Å; V45-L48 PolarHBondContact O-N 3.05Å; V45-L48 VanDerWaalsContact O-N 3.11Å; Q46-L48 VanDerWaalsContact C-N 3.29Å; Q46-L48 PolarHBondContact O-N 3.46Å; L48-Q50 PolarHBondContact O-N 3.06Å; L48-Q50 VanDerWaalsContact O-N 3.15Å; L48-A60 HydrophobicContact CD2-CB 3.92Å; L48-A60 HydrophobicContact CG-CB 4.18Å; L48-L64 HydrophobicContact CD1-CD1 3.32Å; L48-L88 HydrophobicContact CD1-CD2 4.06Å; L48-F91 HydrophobicContact CB-CD2 4.29Å; L48-F91 HydrophobicContact CD2-CD1 4.36Å; L48-F91 HydrophobicContact CD2-CD2 4.42Å; L48-F91 HydrophobicContact CD2-CE1 4.13Å; L48-F91 HydrophobicContact CD2-CE2 4.2Å; L48-F91 HydrophobicContact CD2-CZ 4.06Å; L48-F91 WeakPolarHBondContact O-CD2 3.48Å; L48-F91 WeakPolarHBondContact O-CE2 3.28Å
49S80Confident82.9Confident71 Ų7153.1 Ų53.150%0.49726%0.263SS..SBendtrans-71.5-4.4-178.6-54.60000114.5V45 Q46V45-S49 PolarHBondContact O-N 3.42Å; V45-S49 PolarHBondContact O-OG 3.41Å; Q46-S49 PolarHBondContact O-N 2.86Å
50Q79.8Confident83.6Confident96 Ų9650 Ų5045%0.44924%0.238SC..SBendtrans-123.4154.8-177.2-63.4-175.9300112L48 C52 H57L48-Q50 PolarHBondContact O-N 3.06Å; L48-Q50 VanDerWaalsContact O-N 3.15Å; Q50-C52 PolarHBondContact O-N 3.22Å; Q50-H57 PolarHBondContact O-NE2 2.92Å
51R77.3Confident84.2Confident240 Ų24050 Ų5091%0.90624%0.238SC*.  trans-72.291.3172.5-73.4-172.7177-179.8-0.9110.1W94R51-W94 HydrophobicContact CG-CZ3 4.35Å
52C82.4Confident84.8Confident21 Ų2150.6 Ų50.614%0.14224%0.241CC..  trans-101.9176.5172.2-51.60000110L47 Q50 T56 H57L47-C52 PolarHBondContact O-SG 3.31Å; L47-C52 VanDerWaalsContact O-SG 3.36Å; Q50-C52 PolarHBondContact O-N 3.22Å; C52-T56 HydrophobicContact CB-CG2 3.84Å; C52-H57 PolarHBondContact N-CE1 3.39Å; C52-H57 PolarHBondContact N-NE2 3.35Å; C52-H57 PolarHBondContact O-CE1 2.92Å
53D85.2Confident85.3Confident55 Ų5544.2 Ų44.229%0.29421%0.211SC..  trans-72.2153.3173.481.1100.9000111.5R55 T56 H57D53-R55 PolarHBondContact O-N 3.29Å; D53-R55 VanDerWaalsContact O-N 3.08Å; D53-R55 VanDerWaalsContact OD1-CB 3.26Å; D53-R55 WeakPolarHBondContact OD1-CB 3.13Å; D53-R55 PolarHBondContact OD1-N 2.89Å; D53-R55 IonicContact OD1-NE 3.32Å; D53-R55 PolarHBondContact OD1-NE 3.48Å; D53-T56 WeakPolarHBondContact O-CB 3.48Å; D53-T56 PolarHBondContact O-N 3.06Å; D53-T56 PolarHBondContact OD1-N 3.43Å; D53-T56 WeakPolarHBondContact OD2-CB 3.19Å; D53-T56 PolarHBondContact OD2-OG1 3.23Å; D53-H57 PolarHBondContact O-N 3.25Å; D53-H57 VanDerWaalsContact O-N 3.1Å
54P86.8Confident85.7Confident53 Ų5343.4 Ų43.434%0.34421%0.206SC..Hα-helixtrans-58.2-25.1-176.7-30.437.9000115.9F58 P97 Y99 V100P54-F58 WeakPolarHBondContact O-CB 3.47Å; P54-F58 PolarHBondContact O-N 2.84Å; P54-P97 HydrophobicContact CB-CG 3.89Å; P54-P97 HydrophobicContact CG-CG 3.99Å; P54-Y99 WeakPolarHBondContact CB-OH 3.25Å; P54-V100 HydrophobicContact CB-CG2 4.19Å; P54-V100 WeakPolarHBondContact O-CG2 3.5Å
55R88.4Confident85.9Confident114 Ų11443.3 Ų43.343%0.4321%0.206SC..Hα-helixtrans-76.1-37.1177.2-61.5170.1-74.5-163.9-6.3110.9I12 Y16 D53 F58 F59I12-R55 HydrophobicContact CG2-CB 4.06Å; Y16-R55 HydrophobicContact CE2-CB 4.24Å; Y16-R55 HydrophobicContact CE2-CG 4.36Å; D53-R55 PolarHBondContact O-N 3.29Å; D53-R55 VanDerWaalsContact O-N 3.08Å; D53-R55 VanDerWaalsContact OD1-CB 3.26Å; D53-R55 WeakPolarHBondContact OD1-CB 3.13Å; D53-R55 PolarHBondContact OD1-N 2.89Å; D53-R55 IonicContact OD1-NE 3.32Å; D53-R55 PolarHBondContact OD1-NE 3.48Å; R55-F58 PolarHBondContact O-N 3.03Å; R55-F59 WeakPolarHBondContact O-CB 3.45Å; R55-F59 PolarHBondContact O-N 2.98Å
56T88.5Confident86.1Confident0 Ų044.2 Ų44.20%021%0.209CC..Hα-helixtrans-63.3-44.2172.3-64.80000111.5E9 I12 L47 C52 D53 F59 A60E9-T56 HydrophobicContact CG-CG2 3.97Å; I12-T56 HydrophobicContact CD1-CG2 4.35Å; L47-T56 HydrophobicContact CD2-CG2 3.66Å; C52-T56 HydrophobicContact CB-CG2 3.84Å; D53-T56 WeakPolarHBondContact O-CB 3.48Å; D53-T56 PolarHBondContact O-N 3.06Å; D53-T56 PolarHBondContact OD1-N 3.43Å; D53-T56 WeakPolarHBondContact OD2-CB 3.19Å; D53-T56 PolarHBondContact OD2-OG1 3.23Å; T56-F59 PolarHBondContact O-N 3.17Å; T56-A60 WeakPolarHBondContact O-CB 3.25Å; T56-A60 PolarHBondContact O-N 3.12Å
57H89.3Confident86.2Confident7 Ų739.4 Ų39.43%0.03219%0.186CC..Hα-helixtrans-61.2-46.3173.4-68.1153.2000112.1L47 Q50 C52 D53 F59 A60 T61 F91 V100L47-H57 PolarHBondContact O-CD2 3.22Å; Q50-H57 PolarHBondContact O-NE2 2.92Å; C52-H57 PolarHBondContact N-CE1 3.39Å; C52-H57 PolarHBondContact N-NE2 3.35Å; C52-H57 PolarHBondContact O-CE1 2.92Å; D53-H57 PolarHBondContact O-N 3.25Å; D53-H57 VanDerWaalsContact O-N 3.1Å; H57-F59 VanDerWaalsContact C-N 3.34Å; H57-F59 PolarHBondContact O-N 2.89Å; H57-A60 PolarHBondContact O-N 3.3Å; H57-T61 PolarHBondContact O-N 3.35Å; H57-T61 PolarHBondContact O-OG1 3.47Å; H57-F91 HydrophobicContact CB-CZ 3.76Å; H57-F91 AromaticContact CD2-CE2 3.75Å; H57-F91 AromaticContact CD2-CZ 3.78Å; H57-F91 AromaticContact CE1-CE2 3.78Å; H57-F91 AromaticContact CE1-CZ 3.97Å; H57-F91 AromaticContact CG-CE2 3.9Å; H57-F91 AromaticContact CG-CZ 3.49Å; H57-F91 VanDerWaalsContact CG-CZ 3.49Å; H57-F91 AromaticContact ND1-CE2 3.93Å; H57-F91 AromaticContact ND1-CZ 3.63Å; H57-F91 AromaticContact NE2-CE2 3.66Å; H57-V100 HydrophobicContact CB-CG1 3.78Å
58F89.5Confident86.3Confident64 Ų6439.3 Ų39.328%0.28119%0.186SC..Hα-helixtrans-59.2-44.2176.6-176.2-97.8000112.7P54 R55 N62 Y99 V100 R103P54-F58 WeakPolarHBondContact O-CB 3.47Å; P54-F58 PolarHBondContact O-N 2.84Å; R55-F58 PolarHBondContact O-N 3.03Å; F58-N62 WeakPolarHBondContact O-CB 3.47Å; F58-N62 PolarHBondContact O-N 3.29Å; F58-Y99 HydrophobicContact CB-CD2 4.36Å; F58-Y99 HydrophobicContact CB-CE2 3.91Å; F58-Y99 AromaticContact CD2-CD2 3.6Å; F58-Y99 HydrophobicContact CD2-CD2 3.6Å; F58-Y99 HydrophobicContact CD2-CE2 4.03Å; F58-Y99 HydrophobicContact CE2-CD2 4.13Å; F58-Y99 HydrophobicContact CG-CD2 4.11Å; F58-Y99 HydrophobicContact CG-CE2 4.09Å; F58-V100 HydrophobicContact CB-CG2 4.29Å; F58-R103 HydrophobicContact CD2-CB 4.17Å; F58-R103 HydrophobicContact CD2-CG 4.26Å; F58-R103 HydrophobicContact CE2-CB 4.08Å; F58-R103 HydrophobicContact CE2-CG 4.03Å
59F90.1Very high86.5Confident17 Ų1742.6 Ų42.68%0.07520%0.198CC..Hα-helixtrans-60.7-49.4175.9176.9-98.4000111.1V8 I12 L31 V34 Q35 R55 T56 H57 T61 N62 C63V8-F59 HydrophobicContact CG1-CD1 3.76Å; V8-F59 HydrophobicContact CG1-CE1 3.54Å; I12-F59 HydrophobicContact CD1-CB 3.57Å; I12-F59 HydrophobicContact CD1-CD1 3.75Å; I12-F59 HydrophobicContact CD1-CG 3.7Å; I12-F59 HydrophobicContact CG1-CB 4.44Å; I12-F59 HydrophobicContact CG1-CG 4.33Å; L31-F59 HydrophobicContact CB-CE2 3.67Å; L31-F59 HydrophobicContact CB-CZ 3.95Å; L31-F59 HydrophobicContact CD2-CD1 4.39Å; L31-F59 HydrophobicContact CD2-CD2 4.22Å; L31-F59 HydrophobicContact CD2-CE1 3.85Å; L31-F59 HydrophobicContact CD2-CE2 3.68Å; L31-F59 HydrophobicContact CD2-CZ 3.46Å; L31-F59 VanDerWaalsContact CD2-CZ 3.46Å; L31-F59 HydrophobicContact CG-CE2 4.14Å; L31-F59 HydrophobicContact CG-CZ 4.28Å; L31-F59 WeakPolarHBondContact O-CZ 3.46Å; V34-F59 HydrophobicContact CB-CZ 4.34Å; V34-F59 HydrophobicContact CG1-CE1 4.19Å; V34-F59 HydrophobicContact CG1-CZ 4.21Å; Q35-F59 HydrophobicContact CG-CE2 3.73Å; Q35-F59 HydrophobicContact CG-CZ 3.95Å; R55-F59 WeakPolarHBondContact O-CB 3.45Å; R55-F59 PolarHBondContact O-N 2.98Å; T56-F59 PolarHBondContact O-N 3.17Å; H57-F59 VanDerWaalsContact C-N 3.34Å; H57-F59 PolarHBondContact O-N 2.89Å; F59-T61 PolarHBondContact O-N 2.94Å; F59-N62 WeakPolarHBondContact O-CB 3.45Å; F59-N62 PolarHBondContact O-N 3.4Å; F59-N62 VanDerWaalsContact O-N 3.16Å; F59-C63 WeakPolarHBondContact CE1-SG 3.28Å; F59-C63 WeakPolarHBondContact CZ-SG 3.41Å; F59-C63 PolarHBondContact O-N 2.63Å; F59-C63 PolarHBondContact O-SG 3.38Å
60A89.3Confident86.4Confident0 Ų041.3 Ų41.30%019%0.189CC..Hα-helixtrans-57.9-49178.500000111.4V44 L47 L48 T56 H57 N62 C63 L64V44-A60 HydrophobicContact CG1-CB 4.06Å; V44-A60 WeakPolarHBondContact CG1-O 3.48Å; L47-A60 HydrophobicContact CB-CB 3.84Å; L47-A60 HydrophobicContact CD1-CB 4.28Å; L48-A60 HydrophobicContact CD2-CB 3.92Å; L48-A60 HydrophobicContact CG-CB 4.18Å; T56-A60 WeakPolarHBondContact O-CB 3.25Å; T56-A60 PolarHBondContact O-N 3.12Å; H57-A60 PolarHBondContact O-N 3.3Å; A60-N62 VanDerWaalsContact C-N 3.32Å; A60-N62 PolarHBondContact O-N 2.87Å; A60-C63 WeakPolarHBondContact O-CB 3.43Å; A60-C63 PolarHBondContact O-N 3.21Å; A60-L64 PolarHBondContact O-N 3.07Å
61T89.5Confident85.7Confident0 Ų041 Ų410%019%0.188CC..Hα-helixtrans-63.4-37.9176.9-470000112.1H57 F59 L64 C65 R103 V104 A107H57-T61 PolarHBondContact O-N 3.35Å; H57-T61 PolarHBondContact O-OG1 3.47Å; F59-T61 PolarHBondContact O-N 2.94Å; T61-L64 WeakPolarHBondContact O-CB 3.48Å; T61-L64 PolarHBondContact O-N 3.1Å; T61-C65 PolarHBondContact O-N 2.92Å; T61-C65 PolarHBondContact O-SG 3.44Å; T61-C65 VanDerWaalsContact O-SG 3.37Å; T61-R103 HydrophobicContact CG2-CB 4.06Å; T61-R103 HydrophobicContact CG2-CG 3.82Å; T61-R103 VanDerWaalsContact CG2-O 3.23Å; T61-R103 WeakPolarHBondContact CG2-O 3.25Å; T61-V104 HydrophobicContact CG2-CB 4.3Å; T61-V104 HydrophobicContact CG2-CG2 3.86Å; T61-A107 HydrophobicContact CG2-CB 3.77Å
62N90.3Very high85Confident26 Ų2630.7 Ų30.714%0.13915%0.149CC..Hα-helixtrans-64.8-40.9175.6-168.266.2000112.2Q35 F58 F59 A60 L64 C65 I66 R103Q35-N62 PolarHBondContact NE2-ND2 3.06Å; Q35-N62 VanDerWaalsContact NE2-ND2 3.11Å; F58-N62 WeakPolarHBondContact O-CB 3.47Å; F58-N62 PolarHBondContact O-N 3.29Å; F59-N62 WeakPolarHBondContact O-CB 3.45Å; F59-N62 PolarHBondContact O-N 3.4Å; F59-N62 VanDerWaalsContact O-N 3.16Å; A60-N62 VanDerWaalsContact C-N 3.32Å; A60-N62 PolarHBondContact O-N 2.87Å; N62-L64 VanDerWaalsContact C-N 3.32Å; N62-L64 PolarHBondContact O-N 3.34Å; N62-C65 PolarHBondContact O-N 3.15Å; N62-I66 WeakPolarHBondContact O-CG1 3.2Å; N62-I66 PolarHBondContact O-N 3.04Å; N62-I66 VanDerWaalsContact O-N 3.08Å; N62-R103 VanDerWaalsContact OD1-CZ 3.31Å; N62-R103 PolarHBondContact OD1-NE 3.26Å; N62-R103 PolarHBondContact OD1-NH2 3.45Å
63C88.7Confident84Confident0 Ų036 Ų360%017%0.174CC..Hα-helixtrans-57.8-45.3171.4-64.50000110.9Q35 V44 F59 A60 C65 I66 I67Q35-C63 HydrophobicContact CG-CB 4.4Å; Q35-C63 WeakPolarHBondContact CG-SG 3.48Å; V44-C63 HydrophobicContact CG1-CB 4.12Å; V44-C63 HydrophobicContact CG2-CB 3.71Å; F59-C63 WeakPolarHBondContact CE1-SG 3.28Å; F59-C63 WeakPolarHBondContact CZ-SG 3.41Å; F59-C63 PolarHBondContact O-N 2.63Å; F59-C63 PolarHBondContact O-SG 3.38Å; A60-C63 WeakPolarHBondContact O-CB 3.43Å; A60-C63 PolarHBondContact O-N 3.21Å; C63-C65 PolarHBondContact O-N 3.21Å; C63-I66 PolarHBondContact O-N 3.18Å; C63-I67 VanDerWaalsContact O-CG1 3.3Å; C63-I67 WeakPolarHBondContact O-CG1 3.46Å; C63-I67 PolarHBondContact O-N 3.35Å
64L88.5Confident83.1Confident0 Ų035.8 Ų35.80%018%0.176CC..Hα-helixtrans-59.8-44.9176-70.6177.9000112.4L41 V44 V45 L48 A60 T61 N62 I66 I67 L68 L84 L88 A107L41-L64 HydrophobicContact CD1-CD2 3.41Å; L41-L64 VanDerWaalsContact CD1-CD2 3.41Å; V44-L64 HydrophobicContact CB-CD2 4.45Å; V44-L64 HydrophobicContact CG1-CD1 4.26Å; V44-L64 HydrophobicContact CG1-CD2 3.6Å; V44-L64 HydrophobicContact CG1-CG 3.46Å; V44-L64 VanDerWaalsContact CG1-CG 3.46Å; V45-L64 HydrophobicContact CG2-CD2 4.49Å; L48-L64 HydrophobicContact CD1-CD1 3.32Å; A60-L64 PolarHBondContact O-N 3.07Å; T61-L64 WeakPolarHBondContact O-CB 3.48Å; T61-L64 PolarHBondContact O-N 3.1Å; N62-L64 VanDerWaalsContact C-N 3.32Å; N62-L64 PolarHBondContact O-N 3.34Å; L64-I66 VanDerWaalsContact C-N 3.27Å; L64-I66 PolarHBondContact O-N 3.43Å; L64-I67 PolarHBondContact O-N 3.27Å; L64-L68 VanDerWaalsContact O-CB 3.32Å; L64-L68 WeakPolarHBondContact O-CB 3.45Å; L64-L68 VanDerWaalsContact O-CG 3.25Å; L64-L68 WeakPolarHBondContact O-CG 3.35Å; L64-L68 PolarHBondContact O-N 3.4Å; L64-L84 HydrophobicContact CD1-CD1 3.89Å; L64-L84 HydrophobicContact CD2-CD1 3.93Å; L64-L84 HydrophobicContact CD2-CD2 4.45Å; L64-L88 HydrophobicContact CD1-CD2 4.01Å; L64-A107 HydrophobicContact CB-CB 4.43Å
65C89.4Confident81.8Confident0 Ų041.5 Ų41.50%020%0.204CC..Hα-helixtrans-57.4-43.4176.8-67.80000111.2T61 N62 C63 R69 L110T61-C65 PolarHBondContact O-N 2.92Å; T61-C65 PolarHBondContact O-SG 3.44Å; T61-C65 VanDerWaalsContact O-SG 3.37Å; N62-C65 PolarHBondContact O-N 3.15Å; C63-C65 PolarHBondContact O-N 3.21Å; C65-R69 VanDerWaalsContact O-CB 3.3Å; C65-R69 WeakPolarHBondContact O-CB 3.42Å; C65-R69 WeakPolarHBondContact O-CG 3.3Å; C65-R69 PolarHBondContact O-N 3.45Å; C65-L110 HydrophobicContact CB-CD1 3.83Å
66I86.8Confident80.9Confident57 Ų5741.9 Ų41.929%0.29221%0.211SC..Hα-helixtrans-63.5-50177.6-66.4166.9000110.7Q35 N62 C63 L64 L68 R69 S70Q35-I66 HydrophobicContact CB-CD1 3.97Å; Q35-I66 HydrophobicContact CG-CD1 3.98Å; N62-I66 WeakPolarHBondContact O-CG1 3.2Å; N62-I66 PolarHBondContact O-N 3.04Å; N62-I66 VanDerWaalsContact O-N 3.08Å; C63-I66 PolarHBondContact O-N 3.18Å; L64-I66 VanDerWaalsContact C-N 3.27Å; L64-I66 PolarHBondContact O-N 3.43Å; I66-L68 PolarHBondContact O-N 3.22Å; I66-R69 PolarHBondContact O-N 2.92Å; I66-S70 WeakPolarHBondContact O-CB 3.5Å; I66-S70 PolarHBondContact O-N 2.81Å
67I84.7Confident80.2Confident3 Ų344.4 Ų44.42%0.01522%0.223CC..Hα-helixtrans-59-48.6-180-67.4166.5000110.3L41 C63 L64 R69 S70 W72L41-I67 HydrophobicContact CB-CD1 4.34Å; L41-I67 HydrophobicContact CD1-CD1 4.4Å; C63-I67 VanDerWaalsContact O-CG1 3.3Å; C63-I67 WeakPolarHBondContact O-CG1 3.46Å; C63-I67 PolarHBondContact O-N 3.35Å; L64-I67 PolarHBondContact O-N 3.27Å; I67-R69 PolarHBondContact O-N 3.44Å; I67-S70 PolarHBondContact O-N 3.15Å; I67-S70 PolarHBondContact O-OG 3.25Å; I67-W72 HydrophobicContact CG2-CB 4.44Å; I67-W72 HydrophobicContact CG2-CD2 3.98Å; I67-W72 HydrophobicContact CG2-CE3 4.12Å; I67-W72 HydrophobicContact CG2-CG 4.1Å
68L86.2Confident79.6Confident0 Ų048.6 Ų48.60%025%0.246CC..Hα-helixtrans-68.4-33.9-178.3-68.2170.4000113.3L64 I66 L81 L84 A107 L110 C111 R114L64-L68 VanDerWaalsContact O-CB 3.32Å; L64-L68 WeakPolarHBondContact O-CB 3.45Å; L64-L68 VanDerWaalsContact O-CG 3.25Å; L64-L68 WeakPolarHBondContact O-CG 3.35Å; L64-L68 PolarHBondContact O-N 3.4Å; I66-L68 PolarHBondContact O-N 3.22Å; L68-L81 HydrophobicContact CD2-CD2 4.04Å; L68-L84 HydrophobicContact CD1-CD2 3.99Å; L68-L84 HydrophobicContact CD2-CD2 3.84Å; L68-L84 HydrophobicContact CG-CD2 4.27Å; L68-A107 WeakPolarHBondContact CD1-O 3.48Å; L68-L110 HydrophobicContact CB-CB 3.79Å; L68-L110 HydrophobicContact CB-CD1 4.42Å; L68-L110 HydrophobicContact CD1-CB 3.9Å; L68-C111 HydrophobicContact CD1-CB 4.28Å; L68-R114 HydrophobicContact CD2-CG 4.38Å; L68-R114 PolarHBondContact O-NE 2.99Å; L68-R114 PolarHBondContact O-NH2 3.37Å
69R85.5Confident79.1Confident70 Ų7050 Ų5026%0.26426%0.259SS..Hα-helixtrans-68.7-36172.8-77.1175.6-172.5165.5-0.1112C65 I66 I67 L110 R114 E149 S154C65-R69 VanDerWaalsContact O-CB 3.3Å; C65-R69 WeakPolarHBondContact O-CB 3.42Å; C65-R69 WeakPolarHBondContact O-CG 3.3Å; C65-R69 PolarHBondContact O-N 3.45Å; I66-R69 PolarHBondContact O-N 2.92Å; I67-R69 PolarHBondContact O-N 3.44Å; R69-L110 HydrophobicContact CG-CD1 3.75Å; R69-L110 HydrophobicContact CG-CD2 3.45Å; R69-L110 VanDerWaalsContact CG-CD2 3.45Å; R69-L110 HydrophobicContact CG-CG 4.26Å; R69-R114 PolarHBondContact O-NH2 3.34Å; R69-E149 IonicContact CZ-OE1 3.29Å; R69-E149 IonicContact CZ-OE2 2.79Å; R69-E149 IonicContact NE-OE2 3.76Å; R69-E149 PolarHBondContact NE-OE2 3.47Å; R69-E149 IonicContact NH2-OE1 3.26Å; R69-E149 PolarHBondContact NH2-OE1 3.37Å; R69-E149 IonicContact NH2-OE2 3.39Å; R69-E149 PolarHBondContact NH2-OE2 3.46Å; R69-S154 VanDerWaalsContact O-CB 3.25Å; R69-S154 WeakPolarHBondContact O-CB 3.48Å; R69-S154 PolarHBondContact O-N 2.99Å
70S78.4Confident78.6Confident45 Ų4551.6 Ų51.632%0.31527%0.267SS..SBendtrans-71.7164.5-177.781.80000113.1I66 I67 W72 R114I66-S70 WeakPolarHBondContact O-CB 3.5Å; I66-S70 PolarHBondContact O-N 2.81Å; I67-S70 PolarHBondContact O-N 3.15Å; I67-S70 PolarHBondContact O-OG 3.25Å; S70-W72 PolarHBondContact O-N 3.32Å; S70-R114 PolarHBondContact O-NH2 3.21Å
71H64.3Low78.3Confident90 Ų9051.6 Ų51.642%0.41727%0.267SS..  trans-75.971.3177.4-138.195.3000110.7Q156H71-Q156 PolarHBondContact CE1-N 3.46Å
72W63.7Low78Confident23 Ų2355.7 Ų55.79%0.08729%0.289CS..  trans-84.7117.4179.3-177.844.8000110.2L41 I67 S70 C74 H80L41-W72 HydrophobicContact CD2-CH2 3.05Å; L41-W72 HydrophobicContact CD2-CZ2 3.13Å; L41-W72 HydrophobicContact CD2-CZ3 3.87Å; L41-W72 HydrophobicContact CG-CH2 4.48Å; I67-W72 HydrophobicContact CG2-CB 4.44Å; I67-W72 HydrophobicContact CG2-CD2 3.98Å; I67-W72 HydrophobicContact CG2-CE3 4.12Å; I67-W72 HydrophobicContact CG2-CG 4.1Å; S70-W72 PolarHBondContact O-N 3.32Å; W72-C74 HydrophobicContact CZ2-CB 4.27Å; W72-H80 HydrophobicContact CH2-CB 3.78Å
73I60.4Low77.6Confident132 Ų13257 Ų5768%0.67730%0.304SS*.  trans-120.8124.3177.5-57.9175000107.6
74C66.3Low77.6Confident50 Ų5057.2 Ų57.234%0.33831%0.305SS..  trans-141.4146.4173.3178.90000108.8W72 E76 M77W72-C74 HydrophobicContact CZ2-CB 4.27Å; C74-E76 PolarHBondContact O-N 3.48Å; C74-M77 WeakPolarHBondContact O-CB 3.45Å; C74-M77 PolarHBondContact O-N 3.04Å
75D59.2Low77.4Confident174 Ų17458 Ų5893%0.9331%0.308SS*.THydrogen-bonded Turntrans-61.5-27.2-177.9-63.8-32.4000112.8
76E70.6Confident77.2Confident121 Ų12162.2 Ų62.257%0.56533%0.33SS*.THydrogen-bonded Turntrans-11030.7179.7-61.4-173.7168.700112.8C74 D78 V79 H80C74-E76 PolarHBondContact O-N 3.48Å; E76-D78 PolarHBondContact O-N 3.29Å; E76-D78 VanDerWaalsContact O-N 3.13Å; E76-V79 HydrophobicContact CB-CB 4.48Å; E76-V79 PolarHBondContact O-N 2.93Å; E76-V79 VanDerWaalsContact O-N 3.1Å; E76-H80 PolarHBondContact O-CD2 2.85Å; E76-H80 VanDerWaalsContact O-CD2 3.27Å; E76-H80 PolarHBondContact O-N 2.83Å; E76-H80 VanDerWaalsContact O-N 3.13Å
77M73.7Confident77.1Confident53 Ų5360.2 Ų60.226%0.26132%0.322SS..Hα-helixtrans-51.8-40-176.1-172.1178.96800112.8C74 V79 H80 L81C74-M77 WeakPolarHBondContact O-CB 3.45Å; C74-M77 PolarHBondContact O-N 3.04Å; M77-V79 PolarHBondContact O-N 3.19Å; M77-H80 PolarHBondContact O-N 3.4Å; M77-L81 HydrophobicContact CE-CD1 4.39Å; M77-L81 HydrophobicContact CG-CD1 3.76Å; M77-L81 HydrophobicContact CG-CG 4.14Å; M77-L81 WeakPolarHBondContact O-CB 3.46Å; M77-L81 VanDerWaalsContact O-CG 3.31Å; M77-L81 WeakPolarHBondContact O-CG 3.43Å; M77-L81 PolarHBondContact O-N 3.39Å; M77-L81 HydrophobicContact SD-CD1 4.33Å
78D76.2Confident77.3Confident95 Ų9560.1 Ų60.151%0.50832%0.322SS..Hα-helixtrans-64.6-40.7-178.2-63.1-10.7000112.6E76 L82 I119E76-D78 PolarHBondContact O-N 3.29Å; E76-D78 VanDerWaalsContact O-N 3.13Å; D78-L82 WeakPolarHBondContact O-CB 3.38Å; D78-L82 PolarHBondContact O-N 3.01Å; D78-I119 HydrophobicContact CB-CD1 3.95Å; D78-I119 HydrophobicContact CB-CG1 4.29Å; D78-I119 WeakPolarHBondContact OD1-CD1 3.21Å
79V78.2Confident77.1Confident93 Ų9361.3 Ų61.356%0.56433%0.328SS*.Hα-helixtrans-66.8-43.7177.91800000110E76 M77 L82 A83E76-V79 HydrophobicContact CB-CB 4.48Å; E76-V79 PolarHBondContact O-N 2.93Å; E76-V79 VanDerWaalsContact O-N 3.1Å; M77-V79 PolarHBondContact O-N 3.19Å; V79-L82 PolarHBondContact O-N 3.44Å; V79-A83 WeakPolarHBondContact O-CB 3.38Å; V79-A83 PolarHBondContact O-N 3.21Å
80H80Confident77Confident52 Ų5264 Ų6424%0.24134%0.344CS..Hα-helixtrans-66.6-41.5178.1-70-56.5000112.7W72 E76 M77 L82 A83 L84W72-H80 HydrophobicContact CH2-CB 3.78Å; E76-H80 PolarHBondContact O-CD2 2.85Å; E76-H80 VanDerWaalsContact O-CD2 3.27Å; E76-H80 PolarHBondContact O-N 2.83Å; E76-H80 VanDerWaalsContact O-N 3.13Å; M77-H80 PolarHBondContact O-N 3.4Å; H80-L82 VanDerWaalsContact C-N 3.35Å; H80-A83 PolarHBondContact O-N 3.26Å; H80-L84 WeakPolarHBondContact O-CB 3.38Å; H80-L84 PolarHBondContact O-N 3.46Å
81L83Confident77.2Confident0 Ų062 Ų620%033%0.329CS..Hα-helixtrans-64.8-39176.8-75.8173.6000111.6L68 M77 L84 K85 R114 I119L68-L81 HydrophobicContact CD2-CD2 4.04Å; M77-L81 HydrophobicContact CE-CD1 4.39Å; M77-L81 HydrophobicContact CG-CD1 3.76Å; M77-L81 HydrophobicContact CG-CG 4.14Å; M77-L81 WeakPolarHBondContact O-CB 3.46Å; M77-L81 VanDerWaalsContact O-CG 3.31Å; M77-L81 WeakPolarHBondContact O-CG 3.43Å; M77-L81 PolarHBondContact O-N 3.39Å; M77-L81 HydrophobicContact SD-CD1 4.33Å; L81-L84 PolarHBondContact O-N 3.12Å; L81-K85 WeakPolarHBondContact O-CB 3.3Å; L81-K85 PolarHBondContact O-N 3.07Å; L81-R114 HydrophobicContact CD1-CB 3.93Å; L81-R114 HydrophobicContact CD2-CB 3.83Å; L81-R114 HydrophobicContact CD2-CG 4.49Å; L81-I119 HydrophobicContact CB-CD1 3.82Å; L81-I119 HydrophobicContact CD1-CD1 3.6Å; L81-I119 HydrophobicContact CG-CD1 4.36Å
82L83.3Confident78Confident85 Ų8558.1 Ų58.145%0.44531%0.312SS..Hα-helixtrans-67-43.4175.9-17466000112.1D78 V79 H80 L84 K85 N86 I119D78-L82 WeakPolarHBondContact O-CB 3.38Å; D78-L82 PolarHBondContact O-N 3.01Å; V79-L82 PolarHBondContact O-N 3.44Å; H80-L82 VanDerWaalsContact C-N 3.35Å; L82-L84 VanDerWaalsContact C-N 3.32Å; L82-K85 HydrophobicContact CD1-CD 4.47Å; L82-K85 WeakPolarHBondContact O-CB 3.37Å; L82-K85 PolarHBondContact O-N 3.16Å; L82-N86 PolarHBondContact O-N 3.15Å; L82-N86 VanDerWaalsContact O-N 3.13Å; L82-N86 PolarHBondContact O-ND2 3.44Å; L82-I119 HydrophobicContact CD1-CG2 4.5Å
83A83.3Confident78.8Confident55 Ų5560 Ų6046%0.45533%0.333SS..Hα-helixtrans-62.5-41.7174.800000111.3V79 H80 N86 A87V79-A83 WeakPolarHBondContact O-CB 3.38Å; V79-A83 PolarHBondContact O-N 3.21Å; H80-A83 PolarHBondContact O-N 3.26Å; A83-N86 PolarHBondContact O-N 2.95Å; A83-A87 WeakPolarHBondContact O-CB 3.49Å; A83-A87 PolarHBondContact O-N 3.29Å
84L86.8Confident79.8Confident4 Ų457.1 Ų57.12%0.02131%0.314CS..Hα-helixtrans-67.2-41.2178.4-172.664.6000112V45 L64 L68 H80 L81 L82 N86 A87 L88V45-L84 HydrophobicContact CG2-CD1 3.83Å; L64-L84 HydrophobicContact CD1-CD1 3.89Å; L64-L84 HydrophobicContact CD2-CD1 3.93Å; L64-L84 HydrophobicContact CD2-CD2 4.45Å; L68-L84 HydrophobicContact CD1-CD2 3.99Å; L68-L84 HydrophobicContact CD2-CD2 3.84Å; L68-L84 HydrophobicContact CG-CD2 4.27Å; H80-L84 WeakPolarHBondContact O-CB 3.38Å; H80-L84 PolarHBondContact O-N 3.46Å; L81-L84 PolarHBondContact O-N 3.12Å; L82-L84 VanDerWaalsContact C-N 3.32Å; L84-N86 VanDerWaalsContact C-N 3.34Å; L84-N86 PolarHBondContact O-N 3.33Å; L84-A87 PolarHBondContact O-N 3.24Å; L84-L88 HydrophobicContact CD1-CD1 4.25Å; L84-L88 HydrophobicContact CD1-CG 4.23Å; L84-L88 HydrophobicContact CD2-CD1 4.47Å; L84-L88 HydrophobicContact CG-CD1 3.87Å; L84-L88 HydrophobicContact CG-CG 4.29Å; L84-L88 WeakPolarHBondContact O-CB 3.41Å; L84-L88 VanDerWaalsContact O-CG 3.3Å; L84-L88 WeakPolarHBondContact O-CG 3.18Å; L84-L88 PolarHBondContact O-N 2.99Å
85K85.8Confident80.5Confident16 Ų1664.7 Ų64.77%0.0734%0.344CS..Hα-helixtrans-50.6-56.2170.2168-175.3172.61780109.5L81 L82 A87 L88 L89 W120 E126L81-K85 WeakPolarHBondContact O-CB 3.3Å; L81-K85 PolarHBondContact O-N 3.07Å; L82-K85 HydrophobicContact CD1-CD 4.47Å; L82-K85 WeakPolarHBondContact O-CB 3.37Å; L82-K85 PolarHBondContact O-N 3.16Å; K85-A87 PolarHBondContact O-N 3.23Å; K85-L88 PolarHBondContact O-N 3.25Å; K85-L89 HydrophobicContact CD-CD1 4.46Å; K85-L89 HydrophobicContact CG-CD1 3.8Å; K85-L89 HydrophobicContact CG-CG 4.41Å; K85-L89 WeakPolarHBondContact O-CB 3.35Å; K85-L89 WeakPolarHBondContact O-CG 3.47Å; K85-L89 PolarHBondContact O-N 2.91Å; K85-W120 HydrophobicContact CB-CZ3 4.36Å; K85-W120 HydrophobicContact CD-CD2 3.8Å; K85-W120 HydrophobicContact CD-CE3 3.55Å; K85-W120 HydrophobicContact CD-CH2 3.99Å; K85-W120 HydrophobicContact CD-CZ2 4.19Å; K85-W120 HydrophobicContact CD-CZ3 3.65Å; K85-W120 VanDerWaalsContact CE-CE2 3.5Å; K85-W120 VanDerWaalsContact CE-CZ2 3.42Å; K85-W120 HydrophobicContact CG-CE3 3.93Å; K85-W120 HydrophobicContact CG-CH2 3.98Å; K85-W120 HydrophobicContact CG-CZ3 3.57Å; K85-W120 VanDerWaalsContact NZ-CE2 3.28Å; K85-E126 VanDerWaalsContact NZ-CD 3.33Å; K85-E126 IonicContact NZ-OE1 3.34Å; K85-E126 PolarHBondContact NZ-OE1 3.08Å; K85-E126 IonicContact NZ-OE2 2.79Å; K85-E126 PolarHBondContact NZ-OE2 3.41Å
86N84.6Confident81.7Confident89 Ų8957.9 Ų57.948%0.47631%0.309SS..Hα-helixtrans-63.2-42-176.5-66.5-24000112.2L82 A83 L84 L89 E90L82-N86 PolarHBondContact O-N 3.15Å; L82-N86 VanDerWaalsContact O-N 3.13Å; L82-N86 PolarHBondContact O-ND2 3.44Å; A83-N86 PolarHBondContact O-N 2.95Å; L84-N86 VanDerWaalsContact C-N 3.34Å; L84-N86 PolarHBondContact O-N 3.33Å; N86-L89 PolarHBondContact O-N 3.45Å; N86-E90 WeakPolarHBondContact O-CB 3.49Å; N86-E90 PolarHBondContact O-N 3.34Å
87A85.4Confident82.6Confident15 Ų1554.6 Ų54.612%0.12430%0.298CS..Hα-helixtrans-64.2-4217800000112.5A83 L84 K85 E90 F91A83-A87 WeakPolarHBondContact O-CB 3.49Å; A83-A87 PolarHBondContact O-N 3.29Å; L84-A87 PolarHBondContact O-N 3.24Å; K85-A87 PolarHBondContact O-N 3.23Å; A87-E90 PolarHBondContact O-N 3.06Å; A87-F91 VanDerWaalsContact O-CB 3.26Å; A87-F91 WeakPolarHBondContact O-CB 3.37Å; A87-F91 PolarHBondContact O-N 3.35Å
88L87.7Confident83.2Confident0 Ų057.2 Ų57.20%031%0.309CS..Hα-helixtrans-68.4-38.5177.5-71.6171.3000111.9L48 L64 L84 K85 F91 S92 V104 A107 L108 C111L48-L88 HydrophobicContact CD1-CD2 4.06Å; L64-L88 HydrophobicContact CD1-CD2 4.01Å; L84-L88 HydrophobicContact CD1-CD1 4.25Å; L84-L88 HydrophobicContact CD1-CG 4.23Å; L84-L88 HydrophobicContact CD2-CD1 4.47Å; L84-L88 HydrophobicContact CG-CD1 3.87Å; L84-L88 HydrophobicContact CG-CG 4.29Å; L84-L88 WeakPolarHBondContact O-CB 3.41Å; L84-L88 VanDerWaalsContact O-CG 3.3Å; L84-L88 WeakPolarHBondContact O-CG 3.18Å; L84-L88 PolarHBondContact O-N 2.99Å; K85-L88 PolarHBondContact O-N 3.25Å; L88-F91 PolarHBondContact O-N 3.42Å; L88-S92 WeakPolarHBondContact O-CB 3.42Å; L88-S92 PolarHBondContact O-N 3.07Å; L88-S92 PolarHBondContact O-OG 3.38Å; L88-V104 HydrophobicContact CD2-CG1 4.16Å; L88-A107 HydrophobicContact CD1-CB 4.26Å; L88-A107 HydrophobicContact CD2-CB 4.07Å; L88-L108 HydrophobicContact CB-CD1 4.1Å; L88-L108 HydrophobicContact CD1-CB 4.5Å; L88-L108 HydrophobicContact CD1-CD1 4.49Å; L88-C111 HydrophobicContact CD1-CB 4.12Å
89L83.6Confident83.7Confident25 Ų2557.8 Ų57.813%0.13131%0.305CS..Hα-helixtrans-67-35.3175.1-68.2174.4000112.4K85 N86 S92 L108 W120 L127 W134K85-L89 HydrophobicContact CD-CD1 4.46Å; K85-L89 HydrophobicContact CG-CD1 3.8Å; K85-L89 HydrophobicContact CG-CG 4.41Å; K85-L89 WeakPolarHBondContact O-CB 3.35Å; K85-L89 WeakPolarHBondContact O-CG 3.47Å; K85-L89 PolarHBondContact O-N 2.91Å; N86-L89 PolarHBondContact O-N 3.45Å; L89-S92 PolarHBondContact O-OG 3.4Å; L89-L108 HydrophobicContact CD2-CD1 4.13Å; L89-L108 HydrophobicContact CD2-CD2 3.86Å; L89-L108 HydrophobicContact CG-CD1 4.4Å; L89-W120 HydrophobicContact CD1-CH2 4.35Å; L89-W120 HydrophobicContact CD2-CH2 4.33Å; L89-L127 HydrophobicContact CD2-CD2 3.8Å; L89-W134 HydrophobicContact CD2-CH2 4.21Å; L89-W134 HydrophobicContact CD2-CZ2 3.45Å; L89-W134 VanDerWaalsContact CD2-CZ2 3.45Å
90E82.6Confident84.2Confident127 Ų12753.4 Ų53.459%0.59328%0.278SS*.Hα-helixtrans-70.7-42.7174.2-174179.6176.700111.1N86 A87 A93 W94N86-E90 WeakPolarHBondContact O-CB 3.49Å; N86-E90 PolarHBondContact O-N 3.34Å; A87-E90 PolarHBondContact O-N 3.06Å; E90-A93 PolarHBondContact O-N 3.42Å; E90-W94 PolarHBondContact O-NE1 3.16Å
91F83Confident84.7Confident2 Ų252.1 Ų52.11%0.00927%0.272CS..Hα-helixtrans-68.9-36.6-177.8-170.9-97.8000112.9L48 H57 A87 L88 A93 W94 V96 V100 V104L48-F91 HydrophobicContact CB-CD2 4.29Å; L48-F91 HydrophobicContact CD2-CD1 4.36Å; L48-F91 HydrophobicContact CD2-CD2 4.42Å; L48-F91 HydrophobicContact CD2-CE1 4.13Å; L48-F91 HydrophobicContact CD2-CE2 4.2Å; L48-F91 HydrophobicContact CD2-CZ 4.06Å; L48-F91 WeakPolarHBondContact O-CD2 3.48Å; L48-F91 WeakPolarHBondContact O-CE2 3.28Å; H57-F91 HydrophobicContact CB-CZ 3.76Å; H57-F91 AromaticContact CD2-CE2 3.75Å; H57-F91 AromaticContact CD2-CZ 3.78Å; H57-F91 AromaticContact CE1-CE2 3.78Å; H57-F91 AromaticContact CE1-CZ 3.97Å; H57-F91 AromaticContact CG-CE2 3.9Å; H57-F91 AromaticContact CG-CZ 3.49Å; H57-F91 VanDerWaalsContact CG-CZ 3.49Å; H57-F91 AromaticContact ND1-CE2 3.93Å; H57-F91 AromaticContact ND1-CZ 3.63Å; H57-F91 AromaticContact NE2-CE2 3.66Å; A87-F91 VanDerWaalsContact O-CB 3.26Å; A87-F91 WeakPolarHBondContact O-CB 3.37Å; A87-F91 PolarHBondContact O-N 3.35Å; L88-F91 PolarHBondContact O-N 3.42Å; F91-A93 PolarHBondContact O-N 3.39Å; F91-W94 HydrophobicContact CD2-CD2 4.02Å; F91-W94 AromaticContact CD2-CE3 3.63Å; F91-W94 HydrophobicContact CD2-CE3 3.63Å; F91-W94 HydrophobicContact CD2-CH2 4.35Å; F91-W94 AromaticContact CD2-CZ3 3.81Å; F91-W94 HydrophobicContact CD2-CZ3 3.81Å; F91-W94 HydrophobicContact CE2-CD2 4.31Å; F91-W94 AromaticContact CE2-CE3 3.51Å; F91-W94 HydrophobicContact CE2-CE3 3.51Å; F91-W94 AromaticContact CE2-CZ3 3.67Å; F91-W94 HydrophobicContact CE2-CZ3 3.67Å; F91-W94 VanDerWaalsContact O-CB 3.28Å; F91-W94 WeakPolarHBondContact O-CB 3.36Å; F91-W94 PolarHBondContact O-N 2.97Å; F91-V96 HydrophobicContact CE1-CG1 4.48Å; F91-V96 HydrophobicContact CZ-CG1 4.13Å; F91-V100 HydrophobicContact CE1-CG1 4.06Å; F91-V100 HydrophobicContact CZ-CG1 4.34Å; F91-V104 HydrophobicContact CD1-CB 4.34Å; F91-V104 HydrophobicContact CD1-CG1 4Å; F91-V104 HydrophobicContact CD1-CG2 3.4Å; F91-V104 HydrophobicContact CE1-CG2 3.41Å; F91-V104 VanDerWaalsContact CE1-CG2 3.41Å
92S80.9Confident84.9Confident9 Ų954.3 Ų54.36%0.06328%0.284CS..THydrogen-bonded Turntrans-65-20.3176.559.30000113.7L88 L89 W94 H101 W134L88-S92 WeakPolarHBondContact O-CB 3.42Å; L88-S92 PolarHBondContact O-N 3.07Å; L88-S92 PolarHBondContact O-OG 3.38Å; L89-S92 PolarHBondContact O-OG 3.4Å; S92-W94 PolarHBondContact O-N 2.78Å; S92-H101 PolarHBondContact O-CE1 3.17Å; S92-W134 WeakPolarHBondContact OG-CH2 3.31Å; S92-W134 WeakPolarHBondContact OG-CZ2 3.43Å
93A79.5Confident85.3Confident63 Ų6353.3 Ų53.352%0.52127%0.274SS..THydrogen-bonded Turntrans-78.8-7.717400000112.8E90 F91E90-A93 PolarHBondContact O-N 3.42Å; F91-A93 PolarHBondContact O-N 3.39Å
94W82.1Confident85.6Confident72 Ų7250.7 Ų50.727%0.27325%0.253SS..SBendtrans-80.2145.8179.9-66.414.1000111.3R51 E90 F91 S92 V96R51-W94 HydrophobicContact CG-CZ3 4.35Å; E90-W94 PolarHBondContact O-NE1 3.16Å; F91-W94 HydrophobicContact CD2-CD2 4.02Å; F91-W94 AromaticContact CD2-CE3 3.63Å; F91-W94 HydrophobicContact CD2-CE3 3.63Å; F91-W94 HydrophobicContact CD2-CH2 4.35Å; F91-W94 AromaticContact CD2-CZ3 3.81Å; F91-W94 HydrophobicContact CD2-CZ3 3.81Å; F91-W94 HydrophobicContact CE2-CD2 4.31Å; F91-W94 AromaticContact CE2-CE3 3.51Å; F91-W94 HydrophobicContact CE2-CE3 3.51Å; F91-W94 AromaticContact CE2-CZ3 3.67Å; F91-W94 HydrophobicContact CE2-CZ3 3.67Å; F91-W94 VanDerWaalsContact O-CB 3.28Å; F91-W94 WeakPolarHBondContact O-CB 3.36Å; F91-W94 PolarHBondContact O-N 2.97Å; S92-W94 PolarHBondContact O-N 2.78Å; W94-V96 HydrophobicContact CB-CG1 4.17Å; W94-V96 PolarHBondContact O-N 3.31Å
95Q80.7Confident85.8Confident209 Ų20950.7 Ų50.798%0.97725%0.253SS*.  trans-75.393171.6-72.1-175.5-15.200110.1
96V85.3Confident86.1Confident31 Ų3151.9 Ų51.919%0.18826%0.259CS..  trans-116.5159.9176.1-62.50000111F91 W94 V100 H101F91-V96 HydrophobicContact CE1-CG1 4.48Å; F91-V96 HydrophobicContact CZ-CG1 4.13Å; W94-V96 HydrophobicContact CB-CG1 4.17Å; W94-V96 PolarHBondContact O-N 3.31Å; V96-V100 HydrophobicContact CB-CB 4.2Å; V96-V100 HydrophobicContact CB-CG1 4.32Å; V96-V100 HydrophobicContact CG2-CB 4.06Å; V96-V100 HydrophobicContact CG2-CG1 4.17Å; V96-H101 HydrophobicContact CG2-CB 3.96Å
97P88.7Confident86.4Confident52 Ų5247.6 Ų47.634%0.33824%0.236SC..  trans-57.7146.2172.8-25.636.3000112.1P54 Y99 V100 H101P54-P97 HydrophobicContact CB-CG 3.89Å; P54-P97 HydrophobicContact CG-CG 3.99Å; P97-Y99 HydrophobicContact CB-CD1 3.64Å; P97-Y99 HydrophobicContact CB-CE1 3.34Å; P97-Y99 HydrophobicContact CG-CE1 3.99Å; P97-Y99 PolarHBondContact O-N 2.97Å; P97-Y99 VanDerWaalsContact O-N 3.1Å; P97-V100 HydrophobicContact CB-CG2 4.47Å; P97-V100 WeakPolarHBondContact O-CB 3.3Å; P97-V100 PolarHBondContact O-N 3.41Å; P97-H101 PolarHBondContact O-N 3.3Å
98Q85.8Confident86.7Confident107 Ų10746.9 Ų46.950%0.523%0.23SC..Hα-helixtrans-55-35.2-173.5-167.8177.812.400113.9V100 H101 N102 Y192Q98-V100 VanDerWaalsContact C-N 3.3Å; Q98-V100 PolarHBondContact O-N 3.49Å; Q98-H101 PolarHBondContact O-N 3.2Å; Q98-N102 WeakPolarHBondContact O-CB 3.33Å; Q98-N102 PolarHBondContact O-N 3.05Å; Q98-N102 PolarHBondContact O-OD1 3.41Å; Q98-Y192 PolarHBondContact NE2-OH 2.85Å
99Y86.7Confident86.9Confident108 Ų10846.9 Ų46.942%0.42423%0.23SC..Hα-helixtrans-67-29.917873.1-94.2000113.1P54 F58 P97P54-Y99 WeakPolarHBondContact CB-OH 3.25Å; F58-Y99 HydrophobicContact CB-CD2 4.36Å; F58-Y99 HydrophobicContact CB-CE2 3.91Å; F58-Y99 AromaticContact CD2-CD2 3.6Å; F58-Y99 HydrophobicContact CD2-CD2 3.6Å; F58-Y99 HydrophobicContact CD2-CE2 4.03Å; F58-Y99 HydrophobicContact CE2-CD2 4.13Å; F58-Y99 HydrophobicContact CG-CD2 4.11Å; F58-Y99 HydrophobicContact CG-CE2 4.09Å; P97-Y99 HydrophobicContact CB-CD1 3.64Å; P97-Y99 HydrophobicContact CB-CE1 3.34Å; P97-Y99 HydrophobicContact CG-CE1 3.99Å; P97-Y99 PolarHBondContact O-N 2.97Å; P97-Y99 VanDerWaalsContact O-N 3.1Å
100V90.4Very high87.3Confident0 Ų045.7 Ų45.70%022%0.224CC..Hα-helixtrans-75.4-48.7172.3-174.70000108.9P54 H57 F58 F91 V96 P97 Q98 N102 R103 V104P54-V100 HydrophobicContact CB-CG2 4.19Å; P54-V100 WeakPolarHBondContact O-CG2 3.5Å; H57-V100 HydrophobicContact CB-CG1 3.78Å; F58-V100 HydrophobicContact CB-CG2 4.29Å; F91-V100 HydrophobicContact CE1-CG1 4.06Å; F91-V100 HydrophobicContact CZ-CG1 4.34Å; V96-V100 HydrophobicContact CB-CB 4.2Å; V96-V100 HydrophobicContact CB-CG1 4.32Å; V96-V100 HydrophobicContact CG2-CB 4.06Å; V96-V100 HydrophobicContact CG2-CG1 4.17Å; P97-V100 HydrophobicContact CB-CG2 4.47Å; P97-V100 WeakPolarHBondContact O-CB 3.3Å; P97-V100 PolarHBondContact O-N 3.41Å; Q98-V100 VanDerWaalsContact C-N 3.3Å; Q98-V100 PolarHBondContact O-N 3.49Å; V100-N102 PolarHBondContact O-N 3.42Å; V100-R103 WeakPolarHBondContact O-CB 3.21Å; V100-R103 PolarHBondContact O-N 2.84Å; V100-R103 VanDerWaalsContact O-N 3.09Å; V100-V104 HydrophobicContact CG1-CG2 4.41Å; V100-V104 WeakPolarHBondContact O-CG2 3.35Å; V100-V104 PolarHBondContact O-N 3.26Å
101H89Confident87.7Confident25 Ų2539.7 Ų39.712%0.11620%0.196CC..Hα-helixtrans-53.4-54-179.6-171.167.4000111.9S92 V96 P97 Q98 R103 V104 L105 D138S92-H101 PolarHBondContact O-CE1 3.17Å; V96-H101 HydrophobicContact CG2-CB 3.96Å; P97-H101 PolarHBondContact O-N 3.3Å; Q98-H101 PolarHBondContact O-N 3.2Å; H101-R103 VanDerWaalsContact C-N 3.25Å; H101-R103 PolarHBondContact O-N 3.26Å; H101-V104 WeakPolarHBondContact O-CA 3.44Å; H101-V104 WeakPolarHBondContact O-CB 3.4Å; H101-V104 PolarHBondContact O-N 3.4Å; H101-L105 WeakPolarHBondContact O-CG 3.36Å; H101-L105 PolarHBondContact O-N 3.4Å; H101-L105 VanDerWaalsContact O-N 3.07Å; H101-D138 IonicContact CD2-OD1 2.85Å; H101-D138 IonicContact CE1-OD1 2.71Å; H101-D138 IonicContact NE2-OD1 3.79Å; H101-D138 PolarHBondContact NE2-OD1 3.35Å
102N87.9Confident88.1Confident46 Ų4639.6 Ų39.625%0.24620%0.195CC..Hα-helixtrans-55-43.8178.4-67.5-5.3000111.1Q98 V100 V104 L105 H106Q98-N102 WeakPolarHBondContact O-CB 3.33Å; Q98-N102 PolarHBondContact O-N 3.05Å; Q98-N102 PolarHBondContact O-OD1 3.41Å; V100-N102 PolarHBondContact O-N 3.42Å; N102-V104 VanDerWaalsContact C-N 3.27Å; N102-V104 PolarHBondContact O-N 2.9Å; N102-L105 WeakPolarHBondContact O-CB 3.48Å; N102-L105 PolarHBondContact O-N 3.45Å; N102-L105 VanDerWaalsContact O-N 3.13Å; N102-H106 PolarHBondContact O-CD2 3.45Å; N102-H106 PolarHBondContact O-N 3.26Å
103R90.9Very high88.5Confident64 Ų6439.1 Ų39.124%0.24219%0.192CC..Hα-helixtrans-63.6-34.2179.6-160.754.1140-162.8-8.5112.3F58 T61 N62 V100 H101 H106 A107F58-R103 HydrophobicContact CD2-CB 4.17Å; F58-R103 HydrophobicContact CD2-CG 4.26Å; F58-R103 HydrophobicContact CE2-CB 4.08Å; F58-R103 HydrophobicContact CE2-CG 4.03Å; T61-R103 HydrophobicContact CG2-CB 4.06Å; T61-R103 HydrophobicContact CG2-CG 3.82Å; T61-R103 VanDerWaalsContact CG2-O 3.23Å; T61-R103 WeakPolarHBondContact CG2-O 3.25Å; N62-R103 VanDerWaalsContact OD1-CZ 3.31Å; N62-R103 PolarHBondContact OD1-NE 3.26Å; N62-R103 PolarHBondContact OD1-NH2 3.45Å; V100-R103 WeakPolarHBondContact O-CB 3.21Å; V100-R103 PolarHBondContact O-N 2.84Å; V100-R103 VanDerWaalsContact O-N 3.09Å; H101-R103 VanDerWaalsContact C-N 3.25Å; H101-R103 PolarHBondContact O-N 3.26Å; R103-H106 PolarHBondContact O-N 2.91Å; R103-A107 PolarHBondContact O-N 3.4Å
104V90.9Very high88.9Confident1 Ų137 Ų371%0.00617%0.171CC..Hα-helixtrans-66.7-40.7175.3175.90000110.3T61 L88 F91 V100 H101 N102 H106 A107 L108T61-V104 HydrophobicContact CG2-CB 4.3Å; T61-V104 HydrophobicContact CG2-CG2 3.86Å; L88-V104 HydrophobicContact CD2-CG1 4.16Å; F91-V104 HydrophobicContact CD1-CB 4.34Å; F91-V104 HydrophobicContact CD1-CG1 4Å; F91-V104 HydrophobicContact CD1-CG2 3.4Å; F91-V104 HydrophobicContact CE1-CG2 3.41Å; F91-V104 VanDerWaalsContact CE1-CG2 3.41Å; V100-V104 HydrophobicContact CG1-CG2 4.41Å; V100-V104 WeakPolarHBondContact O-CG2 3.35Å; V100-V104 PolarHBondContact O-N 3.26Å; H101-V104 WeakPolarHBondContact O-CA 3.44Å; H101-V104 WeakPolarHBondContact O-CB 3.4Å; H101-V104 PolarHBondContact O-N 3.4Å; N102-V104 VanDerWaalsContact C-N 3.27Å; N102-V104 PolarHBondContact O-N 2.9Å; V104-H106 VanDerWaalsContact C-N 3.33Å; V104-H106 PolarHBondContact O-N 3.43Å; V104-A107 PolarHBondContact O-N 3.29Å; V104-L108 WeakPolarHBondContact O-CB 3.49Å; V104-L108 PolarHBondContact O-N 3.16Å
105L90Very high89.2Confident3 Ų333.6 Ų33.62%0.01616%0.158CC..Hα-helixtrans-60.8-42.3174.7-54.5-175.1000111.3H101 N102 A107 L108 S109 W134 D138 D141 I142H101-L105 WeakPolarHBondContact O-CG 3.36Å; H101-L105 PolarHBondContact O-N 3.4Å; H101-L105 VanDerWaalsContact O-N 3.07Å; N102-L105 WeakPolarHBondContact O-CB 3.48Å; N102-L105 PolarHBondContact O-N 3.45Å; N102-L105 VanDerWaalsContact O-N 3.13Å; L105-A107 PolarHBondContact O-N 2.82Å; L105-L108 WeakPolarHBondContact O-CB 3.5Å; L105-L108 PolarHBondContact O-N 3.11Å; L105-S109 PolarHBondContact O-N 3.17Å; L105-S109 PolarHBondContact O-OG 3.24Å; L105-W134 HydrophobicContact CD2-CH2 4.31Å; L105-W134 HydrophobicContact CD2-CZ3 3.66Å; L105-D138 HydrophobicContact CD1-CB 4.4Å; L105-D141 HydrophobicContact CD1-CB 3.55Å; L105-I142 HydrophobicContact CB-CG1 4.09Å; L105-I142 HydrophobicContact CD2-CD1 4.1Å; L105-I142 HydrophobicContact CD2-CG1 3.99Å; L105-I142 HydrophobicContact CG-CG1 4.45Å
106H91.7Very high89.5Confident41 Ų4123.7 Ų23.719%0.1911%0.111CC..Hα-helixtrans-61.5-43.5172.8-75.4-86.9000112.7N102 R103 V104 L108 S109 L110 E148 E149N102-H106 PolarHBondContact O-CD2 3.45Å; N102-H106 PolarHBondContact O-N 3.26Å; R103-H106 PolarHBondContact O-N 2.91Å; V104-H106 VanDerWaalsContact C-N 3.33Å; V104-H106 PolarHBondContact O-N 3.43Å; H106-L108 VanDerWaalsContact C-N 3.29Å; H106-L108 PolarHBondContact O-N 3.4Å; H106-S109 PolarHBondContact O-N 3.03Å; H106-L110 WeakPolarHBondContact O-CG 3.48Å; H106-L110 PolarHBondContact O-N 3.09Å; H106-E148 IonicContact CE1-OE2 2.97Å; H106-E148 PolarHBondContact CE1-OE2 3.28Å; H106-E149 IonicContact CE1-OE1 2.92Å; H106-E149 IonicContact CG-OE1 3.97Å; H106-E149 IonicContact ND1-OE1 2.81Å; H106-E149 PolarHBondContact ND1-OE1 3.03Å
107A91.7Very high89.2Confident0 Ų023.8 Ų23.80%011%0.112CC..Hα-helixtrans-62.1-39.3175.700000111.6T61 L64 L68 L88 R103 V104 L105 L110 C111T61-A107 HydrophobicContact CG2-CB 3.77Å; L64-A107 HydrophobicContact CB-CB 4.43Å; L68-A107 WeakPolarHBondContact CD1-O 3.48Å; L88-A107 HydrophobicContact CD1-CB 4.26Å; L88-A107 HydrophobicContact CD2-CB 4.07Å; R103-A107 PolarHBondContact O-N 3.4Å; V104-A107 PolarHBondContact O-N 3.29Å; L105-A107 PolarHBondContact O-N 2.82Å; A107-L110 PolarHBondContact O-N 3.32Å; A107-C111 WeakPolarHBondContact O-CB 3.39Å; A107-C111 PolarHBondContact O-N 3.09Å
108L91.2Very high88.9Confident0 Ų026.6 Ų26.60%013%0.125CC..Hα-helixtrans-65.7-42.9175.3-175.861.4000111.4L88 L89 V104 L105 H106 L110 C111 I112 W120 W134 I142L88-L108 HydrophobicContact CB-CD1 4.1Å; L88-L108 HydrophobicContact CD1-CB 4.5Å; L88-L108 HydrophobicContact CD1-CD1 4.49Å; L89-L108 HydrophobicContact CD2-CD1 4.13Å; L89-L108 HydrophobicContact CD2-CD2 3.86Å; L89-L108 HydrophobicContact CG-CD1 4.4Å; V104-L108 WeakPolarHBondContact O-CB 3.49Å; V104-L108 PolarHBondContact O-N 3.16Å; L105-L108 WeakPolarHBondContact O-CB 3.5Å; L105-L108 PolarHBondContact O-N 3.11Å; H106-L108 VanDerWaalsContact C-N 3.29Å; H106-L108 PolarHBondContact O-N 3.4Å; L108-L110 VanDerWaalsContact C-N 3.35Å; L108-L110 PolarHBondContact O-N 3.23Å; L108-C111 WeakPolarHBondContact O-CB 3.24Å; L108-C111 PolarHBondContact O-N 3.3Å; L108-C111 VanDerWaalsContact O-N 3.16Å; L108-I112 HydrophobicContact CG-CD1 4.32Å; L108-I112 WeakPolarHBondContact O-CG1 3.4Å; L108-I112 PolarHBondContact O-N 3.19Å; L108-W120 HydrophobicContact CD1-CH2 4.22Å; L108-W120 HydrophobicContact CD1-CZ3 3.98Å; L108-W134 HydrophobicContact CD2-CH2 3.79Å; L108-W134 HydrophobicContact CD2-CZ2 4.35Å; L108-I142 HydrophobicContact CD2-CD1 3.74Å; L108-I142 HydrophobicContact CD2-CG1 4.42Å
109S93Very high88.8Confident0 Ų023.7 Ų23.70%011%0.112CC..Hα-helixtrans-60.7-41.7174.3-64.90000112.2L105 H106 I112 L113 I142 A145L105-S109 PolarHBondContact O-N 3.17Å; L105-S109 PolarHBondContact O-OG 3.24Å; H106-S109 PolarHBondContact O-N 3.03Å; S109-I112 WeakPolarHBondContact O-CB 3.44Å; S109-I112 PolarHBondContact O-N 2.89Å; S109-L113 WeakPolarHBondContact O-CG 3.28Å; S109-L113 PolarHBondContact O-N 3.37Å; S109-I142 PolarHBondContact OG-O 3.3Å; S109-I142 VanDerWaalsContact OG-O 3.08Å; S109-A145 WeakPolarHBondContact OG-CB 3.48Å
110L91.6Very high88.7Confident0 Ų018.8 Ų18.80%09%0.093CC..Hα-helixtrans-65.4-38.4173.3-75.3164.1000112.8C65 L68 R69 H106 A107 L108 I112 L113 R114 E149C65-L110 HydrophobicContact CB-CD1 3.83Å; L68-L110 HydrophobicContact CB-CB 3.79Å; L68-L110 HydrophobicContact CB-CD1 4.42Å; L68-L110 HydrophobicContact CD1-CB 3.9Å; R69-L110 HydrophobicContact CG-CD1 3.75Å; R69-L110 HydrophobicContact CG-CD2 3.45Å; R69-L110 VanDerWaalsContact CG-CD2 3.45Å; R69-L110 HydrophobicContact CG-CG 4.26Å; H106-L110 WeakPolarHBondContact O-CG 3.48Å; H106-L110 PolarHBondContact O-N 3.09Å; A107-L110 PolarHBondContact O-N 3.32Å; L108-L110 VanDerWaalsContact C-N 3.35Å; L108-L110 PolarHBondContact O-N 3.23Å; L110-I112 VanDerWaalsContact C-N 3.32Å; L110-L113 HydrophobicContact CD2-CD1 4.42Å; L110-L113 PolarHBondContact O-N 2.97Å; L110-R114 PolarHBondContact O-N 3.2Å; L110-R114 VanDerWaalsContact O-N 3.09Å; L110-E149 HydrophobicContact CD2-CB 3.87Å; L110-E149 HydrophobicContact CD2-CG 4.27Å; L110-E149 HydrophobicContact CG-CB 4.17Å; L110-E149 HydrophobicContact CG-CG 4.07Å
111C90.7Very high88.2Confident0 Ų022.6 Ų22.60%012%0.118CC..Hα-helixtrans-62.4-41.5173.9-169.70000110.8L68 L88 A107 L108 R114 S115L68-C111 HydrophobicContact CD1-CB 4.28Å; L88-C111 HydrophobicContact CD1-CB 4.12Å; A107-C111 WeakPolarHBondContact O-CB 3.39Å; A107-C111 PolarHBondContact O-N 3.09Å; L108-C111 WeakPolarHBondContact O-CB 3.24Å; L108-C111 PolarHBondContact O-N 3.3Å; L108-C111 VanDerWaalsContact O-N 3.16Å; C111-R114 PolarHBondContact O-N 2.9Å; C111-S115 VanDerWaalsContact O-CB 3.24Å; C111-S115 WeakPolarHBondContact O-CB 3.41Å; C111-S115 PolarHBondContact O-N 3.37Å; C111-S115 PolarHBondContact O-OG 2.94Å
112I91.3Very high87.9Confident0 Ų023.6 Ų23.60%012%0.124CC..Hα-helixtrans-59.4-50.2173.3-73.1164.6000110.7L108 S109 L110 R114 S115 M116 W120 P123 L127 I142 L146L108-I112 HydrophobicContact CG-CD1 4.32Å; L108-I112 WeakPolarHBondContact O-CG1 3.4Å; L108-I112 PolarHBondContact O-N 3.19Å; S109-I112 WeakPolarHBondContact O-CB 3.44Å; S109-I112 PolarHBondContact O-N 2.89Å; L110-I112 VanDerWaalsContact C-N 3.32Å; I112-R114 VanDerWaalsContact C-N 3.27Å; I112-R114 PolarHBondContact O-N 3.49Å; I112-S115 PolarHBondContact O-N 3.4Å; I112-M116 HydrophobicContact CG2-CE 3.75Å; I112-M116 HydrophobicContact CG2-CG 4.31Å; I112-M116 HydrophobicContact CG2-SD 4.11Å; I112-M116 WeakPolarHBondContact O-CG 3.35Å; I112-M116 PolarHBondContact O-N 3.19Å; I112-W120 HydrophobicContact CD1-CH2 4.4Å; I112-W120 HydrophobicContact CD1-CZ3 4.2Å; I112-W120 HydrophobicContact CG1-CD2 4.43Å; I112-W120 HydrophobicContact CG1-CE3 3.66Å; I112-W120 HydrophobicContact CG1-CH2 4.16Å; I112-W120 HydrophobicContact CG1-CZ3 3.51Å; I112-P123 HydrophobicContact CD1-CB 3.87Å; I112-P123 HydrophobicContact CG1-CB 3.86Å; I112-P123 HydrophobicContact CG1-CG 4.41Å; I112-P123 HydrophobicContact CG2-CB 3.98Å; I112-P123 HydrophobicContact CG2-CG 3.56Å; I112-L127 HydrophobicContact CD1-CD1 4.39Å; I112-I142 HydrophobicContact CD1-CG2 3.88Å; I112-L146 HydrophobicContact CB-CD2 3.92Å; I112-L146 HydrophobicContact CD1-CD2 4.43Å; I112-L146 HydrophobicContact CG2-CD2 3.53Å
113L90.7Very high87.9Confident0 Ų021.4 Ų21.40%011%0.112CC..Hα-helixtrans-58.3-36.3179.5-69175.3000113.2S109 L110 M116 L146 E149 F150 Y153 V163 L167S109-L113 WeakPolarHBondContact O-CG 3.28Å; S109-L113 PolarHBondContact O-N 3.37Å; L110-L113 HydrophobicContact CD2-CD1 4.42Å; L110-L113 PolarHBondContact O-N 2.97Å; L113-M116 HydrophobicContact CD2-CE 3.79Å; L113-L146 HydrophobicContact CD2-CD2 4.23Å; L113-L146 HydrophobicContact CG-CD2 4.21Å; L113-E149 HydrophobicContact CD1-CB 3.77Å; L113-F150 HydrophobicContact CD1-CB 4.19Å; L113-F150 HydrophobicContact CD2-CB 4.28Å; L113-F150 HydrophobicContact CD2-CD2 4.48Å; L113-Y153 HydrophobicContact CB-CE2 4.47Å; L113-V163 HydrophobicContact CD2-CG1 3.83Å; L113-L167 HydrophobicContact CD2-CD1 3.79Å; L113-L167 HydrophobicContact CD2-CD2 3.99Å; L113-L167 HydrophobicContact CD2-CG 4.19Å
114R87.5Confident87.6Confident19 Ų1918.5 Ų18.57%0.07210%0.101CC..Hα-helixtrans-71.9-36.7175-74.8-81.1177.2-152.1-19.4112.5L68 R69 S70 L81 L110 C111 I112 Y153 S154 R159L68-R114 HydrophobicContact CD2-CG 4.38Å; L68-R114 PolarHBondContact O-NE 2.99Å; L68-R114 PolarHBondContact O-NH2 3.37Å; R69-R114 PolarHBondContact O-NH2 3.34Å; S70-R114 PolarHBondContact O-NH2 3.21Å; L81-R114 HydrophobicContact CD1-CB 3.93Å; L81-R114 HydrophobicContact CD2-CB 3.83Å; L81-R114 HydrophobicContact CD2-CG 4.49Å; L110-R114 PolarHBondContact O-N 3.2Å; L110-R114 VanDerWaalsContact O-N 3.09Å; C111-R114 PolarHBondContact O-N 2.9Å; I112-R114 VanDerWaalsContact C-N 3.27Å; I112-R114 PolarHBondContact O-N 3.49Å; R114-Y153 WeakPolarHBondContact CD-OH 2.86Å; R114-Y153 HydrophobicContact CG-CE2 3.92Å; R114-Y153 VanDerWaalsContact NE-CE2 3.3Å; R114-Y153 PolarHBondContact NH1-OH 3.37Å; R114-Y153 VanDerWaalsContact NH2-CE2 3.31Å; R114-S154 PolarHBondContact NH2-O 3.39Å; R114-R159 PolarHBondContact O-NH2 3.47Å
115S87.9Confident87.3Confident0 Ų022.5 Ų22.50%012%0.12CC..Hα-helixtrans-80.8-19.4-173.3-59.90000114C111 I112 P117 D118 I119 W120C111-S115 VanDerWaalsContact O-CB 3.24Å; C111-S115 WeakPolarHBondContact O-CB 3.41Å; C111-S115 PolarHBondContact O-N 3.37Å; C111-S115 PolarHBondContact O-OG 2.94Å; I112-S115 PolarHBondContact O-N 3.4Å; S115-P117 CarbonylContact O-C 3.35Å; S115-D118 PolarHBondContact O-N 3.3Å; S115-I119 PolarHBondContact O-N 3.36Å; S115-W120 PolarHBondContact O-N 3.05Å
116M86.1Confident87.1Confident0 Ų025.2 Ų25.20%013%0.133CC..THydrogen-bonded Turntrans-82.2137.7180-76.2-174.8-65.300113.2I112 L113 W120 P123 R159 V163 E166 L167 M170I112-M116 HydrophobicContact CG2-CE 3.75Å; I112-M116 HydrophobicContact CG2-CG 4.31Å; I112-M116 HydrophobicContact CG2-SD 4.11Å; I112-M116 WeakPolarHBondContact O-CG 3.35Å; I112-M116 PolarHBondContact O-N 3.19Å; L113-M116 HydrophobicContact CD2-CE 3.79Å; M116-W120 VanDerWaalsContact CG-O 3.3Å; M116-W120 WeakPolarHBondContact CG-O 3.37Å; M116-P123 HydrophobicContact SD-CG 4.45Å; M116-R159 PolarHBondContact O-NH2 2.99Å; M116-V163 HydrophobicContact CE-CG1 4.27Å; M116-E166 HydrophobicContact SD-CB 4.15Å; M116-L167 HydrophobicContact CE-CD2 3.82Å; M116-L167 HydrophobicContact CE-CG 4.2Å; M116-M170 HydrophobicContact CG-CE 4.33Å; M116-M170 HydrophobicContact SD-CE 3.15Å; M116-M170 WeakPolarHBondContact SD-CE 3.32Å; M116-M170 HydrophobicContact SD-SD 4.08Å
117P80.2Confident86.7Confident33 Ų3323.3 Ų23.321%0.21412%0.124CC..THydrogen-bonded Turncis-88.7-11.2-4.732-31000114.2S115 P121 I162 E166S115-P117 CarbonylContact O-C 3.35Å; P117-P121 WeakPolarHBondContact O-CA 3.41Å; P117-P121 WeakPolarHBondContact O-CB 3.4Å; P117-I162 HydrophobicContact CG-CG2 4.15Å; P117-E166 HydrophobicContact CB-CG 3.98Å; P117-E166 HydrophobicContact CG-CG 4.39Å
118D81.7Confident86.2Confident112 Ų11225.4 Ų25.460%0.59914%0.135SC*.THydrogen-bonded Turntrans-74.1-40-157.6-48.5-60.5000114.3S115 R159S115-D118 PolarHBondContact O-N 3.3Å; D118-R159 IonicContact OD2-CZ 2.71Å; D118-R159 VanDerWaalsContact OD2-CZ 3.25Å; D118-R159 IonicContact OD2-NH1 2.66Å; D118-R159 PolarHBondContact OD2-NH1 2.97Å; D118-R159 IonicContact OD2-NH2 3.26Å; D118-R159 PolarHBondContact OD2-NH2 3.19Å
119I82.9Confident85.7Confident45 Ų4532.1 Ų32.123%0.23117%0.166CC..THydrogen-bonded Turntrans-98.7-40.2-175.3-54.8168.3000110.3D78 L81 L82 S115D78-I119 HydrophobicContact CB-CD1 3.95Å; D78-I119 HydrophobicContact CB-CG1 4.29Å; D78-I119 WeakPolarHBondContact OD1-CD1 3.21Å; L81-I119 HydrophobicContact CB-CD1 3.82Å; L81-I119 HydrophobicContact CD1-CD1 3.6Å; L81-I119 HydrophobicContact CG-CD1 4.36Å; L82-I119 HydrophobicContact CD1-CG2 4.5Å; S115-I119 PolarHBondContact O-N 3.36Å
120W84.6Confident84.7Confident5 Ų535.3 Ų35.32%0.01918%0.181CC..  trans-134.582.1-176.2-156.6-0.8000110.9K85 L89 L108 I112 S115 M116 P123 E126K85-W120 HydrophobicContact CB-CZ3 4.36Å; K85-W120 HydrophobicContact CD-CD2 3.8Å; K85-W120 HydrophobicContact CD-CE3 3.55Å; K85-W120 HydrophobicContact CD-CH2 3.99Å; K85-W120 HydrophobicContact CD-CZ2 4.19Å; K85-W120 HydrophobicContact CD-CZ3 3.65Å; K85-W120 VanDerWaalsContact CE-CE2 3.5Å; K85-W120 VanDerWaalsContact CE-CZ2 3.42Å; K85-W120 HydrophobicContact CG-CE3 3.93Å; K85-W120 HydrophobicContact CG-CH2 3.98Å; K85-W120 HydrophobicContact CG-CZ3 3.57Å; K85-W120 VanDerWaalsContact NZ-CE2 3.28Å; L89-W120 HydrophobicContact CD1-CH2 4.35Å; L89-W120 HydrophobicContact CD2-CH2 4.33Å; L108-W120 HydrophobicContact CD1-CH2 4.22Å; L108-W120 HydrophobicContact CD1-CZ3 3.98Å; I112-W120 HydrophobicContact CD1-CH2 4.4Å; I112-W120 HydrophobicContact CD1-CZ3 4.2Å; I112-W120 HydrophobicContact CG1-CD2 4.43Å; I112-W120 HydrophobicContact CG1-CE3 3.66Å; I112-W120 HydrophobicContact CG1-CH2 4.16Å; I112-W120 HydrophobicContact CG1-CZ3 3.51Å; S115-W120 PolarHBondContact O-N 3.05Å; M116-W120 VanDerWaalsContact CG-O 3.3Å; M116-W120 WeakPolarHBondContact CG-O 3.37Å; W120-P123 HydrophobicContact CD2-CB 3.81Å; W120-P123 HydrophobicContact CE3-CB 4.35Å; W120-P123 HydrophobicContact CG-CB 4.15Å; W120-P123 HydrophobicContact CH2-CB 4.43Å; W120-P123 HydrophobicContact CZ2-CB 3.92Å; W120-P123 VanDerWaalsContact NE1-CA 3.33Å; W120-E126 PolarHBondContact NE1-OE2 3.46Å
121P79.9Confident83.2Confident81 Ų8140.7 Ų40.753%0.52621%0.206SC..SBendtrans-71.8-31.3-172.924.7-33.2000113.8P117P117-P121 WeakPolarHBondContact O-CA 3.41Å; P117-P121 WeakPolarHBondContact O-CB 3.4Å
122D84.5Confident81.7Confident45 Ų4547.7 Ų47.724%0.24125%0.249CC..  trans-137.567.6-177.2-160.9-11.7000114L124 Q125 R173D122-L124 PolarHBondContact O-N 3.06Å; D122-Q125 HydrophobicContact CB-CB 4.43Å; D122-Q125 PolarHBondContact O-N 2.68Å; D122-Q125 PolarHBondContact OD1-N 2.96Å; D122-Q125 PolarHBondContact OD2-OE1 3.27Å; D122-R173 IonicContact OD1-CZ 3.4Å; D122-R173 IonicContact OD1-NH1 2.69Å; D122-R173 PolarHBondContact OD1-NH1 2.93Å; D122-R173 IonicContact OD1-NH2 3.62Å; D122-R173 IonicContact OD2-CZ 3.84Å; D122-R173 IonicContact OD2-NH1 3.78Å; D122-R173 PolarHBondContact OD2-NH1 2.81Å; D122-R173 IonicContact OD2-NH2 2.72Å; D122-R173 PolarHBondContact OD2-NH2 3.12Å
123P86.3Confident80.1Confident0 Ų050.6 Ų50.60%027%0.27CS..Hα-helixtrans-58.9-43.5-177.624.9-38.4000114.6I112 M116 W120 Q125 E126 L127 M170I112-P123 HydrophobicContact CD1-CB 3.87Å; I112-P123 HydrophobicContact CG1-CB 3.86Å; I112-P123 HydrophobicContact CG1-CG 4.41Å; I112-P123 HydrophobicContact CG2-CB 3.98Å; I112-P123 HydrophobicContact CG2-CG 3.56Å; M116-P123 HydrophobicContact SD-CG 4.45Å; W120-P123 HydrophobicContact CD2-CB 3.81Å; W120-P123 HydrophobicContact CE3-CB 4.35Å; W120-P123 HydrophobicContact CG-CB 4.15Å; W120-P123 HydrophobicContact CH2-CB 4.43Å; W120-P123 HydrophobicContact CZ2-CB 3.92Å; W120-P123 VanDerWaalsContact NE1-CA 3.33Å; P123-Q125 VanDerWaalsContact C-N 3.28Å; P123-Q125 PolarHBondContact O-N 2.91Å; P123-E126 PolarHBondContact O-N 3.16Å; P123-L127 VanDerWaalsContact O-CG 3.32Å; P123-L127 WeakPolarHBondContact O-CG 3.38Å; P123-L127 PolarHBondContact O-N 3.23Å; P123-M170 VanDerWaalsContact CD-CE 3.44Å; P123-M170 HydrophobicContact CG-CE 3.56Å; P123-M170 HydrophobicContact CG-SD 4.23Å
124L86Confident78.9Confident3 Ų351 Ų512%0.01627%0.271CS..Hα-helixtrans-68.1-29-176.7-65.2-178.8000111.9D122 L127 L128 A143 L146 M170 V174D122-L124 PolarHBondContact O-N 3.06Å; L124-L127 HydrophobicContact CD2-CD1 4.47Å; L124-L128 WeakPolarHBondContact O-CB 3.37Å; L124-L128 WeakPolarHBondContact O-CD1 3.47Å; L124-L128 VanDerWaalsContact O-CG 3.25Å; L124-L128 WeakPolarHBondContact O-CG 3.39Å; L124-L128 PolarHBondContact O-N 2.92Å; L124-L128 VanDerWaalsContact O-N 3.14Å; L124-A143 HydrophobicContact CD2-CB 4.33Å; L124-L146 HydrophobicContact CD1-CD1 4.47Å; L124-L146 HydrophobicContact CD2-CD1 4.34Å; L124-L146 HydrophobicContact CG-CD1 4.49Å; L124-M170 HydrophobicContact CD1-CB 4.36Å; L124-M170 HydrophobicContact CD1-SD 4.25Å; L124-M170 HydrophobicContact CG-SD 4.41Å; L124-V174 HydrophobicContact CD1-CG2 3.76Å
125Q84.9Confident78.4Confident85 Ų8556.7 Ų56.740%0.39730%0.299SS..Hα-helixtrans-62.5-49.2172.6-144.2170.3-21.200111.7D122 P123 L127 L128 Q129 R173D122-Q125 HydrophobicContact CB-CB 4.43Å; D122-Q125 PolarHBondContact O-N 2.68Å; D122-Q125 PolarHBondContact OD1-N 2.96Å; D122-Q125 PolarHBondContact OD2-OE1 3.27Å; P123-Q125 VanDerWaalsContact C-N 3.28Å; P123-Q125 PolarHBondContact O-N 2.91Å; Q125-L127 VanDerWaalsContact C-N 3.34Å; Q125-L128 PolarHBondContact O-N 3.39Å; Q125-Q129 WeakPolarHBondContact O-CG 3.42Å; Q125-Q129 PolarHBondContact O-N 2.97Å; Q125-R173 VanDerWaalsContact CA-NH1 3.26Å
126E84Confident78.2Confident60 Ų6059 Ų5928%0.2831%0.31SS..Hα-helixtrans-66.5-42.8-172.1-166.5-180155.700109.7K85 W120 P123 L128 Q129 Q130K85-E126 VanDerWaalsContact NZ-CD 3.33Å; K85-E126 IonicContact NZ-OE1 3.34Å; K85-E126 PolarHBondContact NZ-OE1 3.08Å; K85-E126 IonicContact NZ-OE2 2.79Å; K85-E126 PolarHBondContact NZ-OE2 3.41Å; W120-E126 PolarHBondContact NE1-OE2 3.46Å; P123-E126 PolarHBondContact O-N 3.16Å; E126-L128 PolarHBondContact O-N 3.13Å; E126-Q129 PolarHBondContact O-N 2.95Å; E126-Q130 WeakPolarHBondContact O-CB 3.37Å; E126-Q130 VanDerWaalsContact O-CG 3.29Å; E126-Q130 WeakPolarHBondContact O-CG 3.23Å; E126-Q130 PolarHBondContact O-N 3.33Å
127L84.6Confident78.3Confident1 Ų159.2 Ų59.21%0.00531%0.312CS..Hα-helixtrans-62.5-41.6175.6-67.5171.8000112.3L89 I112 P123 L124 Q125 Q130 W134 I142L89-L127 HydrophobicContact CD2-CD2 3.8Å; I112-L127 HydrophobicContact CD1-CD1 4.39Å; P123-L127 VanDerWaalsContact O-CG 3.32Å; P123-L127 WeakPolarHBondContact O-CG 3.38Å; P123-L127 PolarHBondContact O-N 3.23Å; L124-L127 HydrophobicContact CD2-CD1 4.47Å; Q125-L127 VanDerWaalsContact C-N 3.34Å; L127-Q130 PolarHBondContact O-N 2.93Å; L127-W134 HydrophobicContact CD2-CZ2 4.2Å; L127-I142 HydrophobicContact CD1-CD1 3.89Å; L127-I142 HydrophobicContact CD1-CG2 4.04Å
128L80.5Confident78.7Confident45 Ų4558.5 Ų58.524%0.23631%0.306CS..Hα-helixtrans-68.1-32.1175.9-75.2170.6000112.9L124 Q125 E126 Q130 Q131 V139 M177L124-L128 WeakPolarHBondContact O-CB 3.37Å; L124-L128 WeakPolarHBondContact O-CD1 3.47Å; L124-L128 VanDerWaalsContact O-CG 3.25Å; L124-L128 WeakPolarHBondContact O-CG 3.39Å; L124-L128 PolarHBondContact O-N 2.92Å; L124-L128 VanDerWaalsContact O-N 3.14Å; Q125-L128 PolarHBondContact O-N 3.39Å; E126-L128 PolarHBondContact O-N 3.13Å; L128-Q130 VanDerWaalsContact C-N 3.34Å; L128-Q131 VanDerWaalsContact O-CG 3.3Å; L128-Q131 WeakPolarHBondContact O-CG 3.42Å; L128-V139 HydrophobicContact CD2-CG1 3.92Å; L128-V139 HydrophobicContact CD2-CG2 4.47Å; L128-V139 HydrophobicContact CG-CG1 4.21Å; L128-M177 HydrophobicContact CD1-SD 4.39Å; L128-M177 HydrophobicContact CD2-SD 4.05Å
129Q79.8Confident79.1Confident141 Ų14153.1 Ų53.166%0.65928%0.278SS*.Hα-helixtrans-75.2-26.2175.9-73.3175.6-1.500112.4Q125 E126 Q131Q125-Q129 WeakPolarHBondContact O-CG 3.42Å; Q125-Q129 PolarHBondContact O-N 2.97Å; E126-Q129 PolarHBondContact O-N 2.95Å; Q129-Q131 VanDerWaalsContact C-N 3.25Å; Q129-Q131 PolarHBondContact O-N 3.46Å
130Q72.9Confident79.6Confident67 Ų6751 Ų5131%0.31327%0.267SS..THydrogen-bonded Turntrans-87.124.6177.7-69.7179-0.600113.3E126 L127 L128 T132 S133E126-Q130 WeakPolarHBondContact O-CB 3.37Å; E126-Q130 VanDerWaalsContact O-CG 3.29Å; E126-Q130 WeakPolarHBondContact O-CG 3.23Å; E126-Q130 PolarHBondContact O-N 3.33Å; L127-Q130 PolarHBondContact O-N 2.93Å; L128-Q130 VanDerWaalsContact C-N 3.34Å; Q130-T132 PolarHBondContact O-N 3.29Å; Q130-S133 PolarHBondContact O-N 2.89Å; Q130-S133 PolarHBondContact O-OG 3.38Å; Q130-S133 VanDerWaalsContact O-OG 3.06Å
131Q61.1Low79.9Confident112 Ų11251.9 Ų51.952%0.52327%0.272SS..THydrogen-bonded Turntrans-53.1-14.2-179.5-92.9-177.35.300115.4L128 Q129 S133L128-Q131 VanDerWaalsContact O-CG 3.3Å; L128-Q131 WeakPolarHBondContact O-CG 3.42Å; Q129-Q131 VanDerWaalsContact C-N 3.25Å; Q129-Q131 PolarHBondContact O-N 3.46Å; Q131-S133 PolarHBondContact O-N 3.1Å
132T58.2Low80.5Confident148 Ų14848 Ų4891%0.90825%0.247SC*.THydrogen-bonded Turntrans-61.2-23.5170.350.40000113.6Q130Q130-T132 PolarHBondContact O-N 3.29Å
133S57.8Low81Confident61 Ų6145.9 Ų45.943%0.42724%0.236SC..THydrogen-bonded Turntrans-111.7-16.2179.255.10000114.9Q130 Q131Q130-S133 PolarHBondContact O-N 2.89Å; Q130-S133 PolarHBondContact O-OG 3.38Å; Q130-S133 VanDerWaalsContact O-OG 3.06Å; Q131-S133 PolarHBondContact O-N 3.1Å
134W65.2Low81.4Confident8 Ų846.3 Ų46.33%0.0324%0.239CC..  trans-120.2133.5-171-62.696.5000112.1L89 S92 L105 L108 L127 D138 V139 I142L89-W134 HydrophobicContact CD2-CH2 4.21Å; L89-W134 HydrophobicContact CD2-CZ2 3.45Å; L89-W134 VanDerWaalsContact CD2-CZ2 3.45Å; S92-W134 WeakPolarHBondContact OG-CH2 3.31Å; S92-W134 WeakPolarHBondContact OG-CZ2 3.43Å; L105-W134 HydrophobicContact CD2-CH2 4.31Å; L105-W134 HydrophobicContact CD2-CZ3 3.66Å; L108-W134 HydrophobicContact CD2-CH2 3.79Å; L108-W134 HydrophobicContact CD2-CZ2 4.35Å; L127-W134 HydrophobicContact CD2-CZ2 4.2Å; W134-D138 HydrophobicContact CE3-CB 3.69Å; W134-D138 HydrophobicContact CZ3-CB 4.22Å; W134-V139 HydrophobicContact CB-CG2 4.44Å; W134-I142 HydrophobicContact CE3-CD1 4.45Å; W134-I142 HydrophobicContact CH2-CD1 4.28Å; W134-I142 HydrophobicContact CZ3-CD1 3.97Å
135Q77.8Confident81.8Confident138 Ų13846.3 Ų46.365%0.64524%0.239SC*.  trans-76.6149.5167.5-60.3-62.1-43.800109.1A137 D138 V139Q135-A137 PolarHBondContact O-N 2.9Å; Q135-A137 VanDerWaalsContact O-N 3.13Å; Q135-D138 WeakPolarHBondContact CB-OD2 3.05Å; Q135-D138 PolarHBondContact N-OD2 2.94Å; Q135-D138 WeakPolarHBondContact O-CB 3.47Å; Q135-D138 PolarHBondContact O-N 2.95Å; Q135-V139 PolarHBondContact O-N 3.26Å
136I83.8Confident82.2Confident49 Ų4942.2 Ų42.225%0.25122%0.22SC..Hα-helixtrans-57.3-30.3176.8-167.1168.1000112.2D138 V139 F140 F181 V193I136-D138 VanDerWaalsContact C-N 3.35Å; I136-D138 PolarHBondContact O-N 3.27Å; I136-V139 PolarHBondContact O-N 3.32Å; I136-F140 HydrophobicContact CD1-CE2 4.15Å; I136-F140 HydrophobicContact CD1-CZ 4.32Å; I136-F140 HydrophobicContact CG1-CD2 4.27Å; I136-F140 HydrophobicContact CG1-CE2 3.78Å; I136-F140 HydrophobicContact CG1-CZ 4.22Å; I136-F140 WeakPolarHBondContact O-CD2 3.25Å; I136-F140 PolarHBondContact O-N 3.16Å; I136-F181 HydrophobicContact CD1-CB 4.43Å; I136-F181 HydrophobicContact CD1-CD2 4.15Å; I136-V193 HydrophobicContact CG2-CG1 3.67Å
137A87.7Confident82.7Confident4 Ų439.5 Ų39.53%0.03321%0.208CC..Hα-helixtrans-59.9-40.7173.300000112.9Q135 V139 F140 D141 Y192 V193 K196Q135-A137 PolarHBondContact O-N 2.9Å; Q135-A137 VanDerWaalsContact O-N 3.13Å; A137-V139 VanDerWaalsContact C-N 3.31Å; A137-V139 PolarHBondContact O-N 2.77Å; A137-F140 PolarHBondContact O-N 3.41Å; A137-D141 PolarHBondContact O-N 3.41Å; A137-Y192 HydrophobicContact CB-CE1 4.01Å; A137-V193 HydrophobicContact CB-CG1 4.46Å; A137-V193 HydrophobicContact CB-CG2 4.45Å; A137-K196 HydrophobicContact CB-CG 4.16Å
138D87.9Confident83Confident18 Ų1843.6 Ų43.610%0.09623%0.227CC..Hα-helixtrans-66.2-37.6178.2-56.7-48.2000110.9H101 L105 W134 Q135 I136 F140 D141 I142H101-D138 IonicContact CD2-OD1 2.85Å; H101-D138 IonicContact CE1-OD1 2.71Å; H101-D138 IonicContact NE2-OD1 3.79Å; H101-D138 PolarHBondContact NE2-OD1 3.35Å; L105-D138 HydrophobicContact CD1-CB 4.4Å; W134-D138 HydrophobicContact CE3-CB 3.69Å; W134-D138 HydrophobicContact CZ3-CB 4.22Å; Q135-D138 WeakPolarHBondContact CB-OD2 3.05Å; Q135-D138 PolarHBondContact N-OD2 2.94Å; Q135-D138 WeakPolarHBondContact O-CB 3.47Å; Q135-D138 PolarHBondContact O-N 2.95Å; I136-D138 VanDerWaalsContact C-N 3.35Å; I136-D138 PolarHBondContact O-N 3.27Å; D138-F140 VanDerWaalsContact C-N 3.33Å; D138-D141 PolarHBondContact O-N 3.03Å; D138-I142 WeakPolarHBondContact O-CG1 3.34Å; D138-I142 PolarHBondContact O-N 2.88Å
139V90.3Very high83.4Confident0 Ų041.6 Ų41.60%022%0.216CC..Hα-helixtrans-65.8-38.9176.4-174.70000110.6L128 W134 Q135 I136 A137 A143 M177L128-V139 HydrophobicContact CD2-CG1 3.92Å; L128-V139 HydrophobicContact CD2-CG2 4.47Å; L128-V139 HydrophobicContact CG-CG1 4.21Å; W134-V139 HydrophobicContact CB-CG2 4.44Å; Q135-V139 PolarHBondContact O-N 3.26Å; I136-V139 PolarHBondContact O-N 3.32Å; A137-V139 VanDerWaalsContact C-N 3.31Å; A137-V139 PolarHBondContact O-N 2.77Å; V139-A143 WeakPolarHBondContact O-CB 3.48Å; V139-A143 PolarHBondContact O-N 3.46Å; V139-M177 HydrophobicContact CG1-SD 3.71Å
140F93Very high83.9Confident0 Ų035 Ų350%019%0.186CC..Hα-helixtrans-64.1-42.4172.8-73.1-49.5000112.4I136 A137 D138 A143 A144 M177 L178 F181 V193 K196 A197 C200I136-F140 HydrophobicContact CD1-CE2 4.15Å; I136-F140 HydrophobicContact CD1-CZ 4.32Å; I136-F140 HydrophobicContact CG1-CD2 4.27Å; I136-F140 HydrophobicContact CG1-CE2 3.78Å; I136-F140 HydrophobicContact CG1-CZ 4.22Å; I136-F140 WeakPolarHBondContact O-CD2 3.25Å; I136-F140 PolarHBondContact O-N 3.16Å; A137-F140 PolarHBondContact O-N 3.41Å; D138-F140 VanDerWaalsContact C-N 3.33Å; F140-A143 PolarHBondContact O-N 3.45Å; F140-A144 VanDerWaalsContact O-CB 3.3Å; F140-A144 WeakPolarHBondContact O-CB 3.42Å; F140-A144 PolarHBondContact O-N 2.82Å; F140-M177 HydrophobicContact CD1-CE 3.57Å; F140-M177 HydrophobicContact CD1-SD 4.29Å; F140-M177 HydrophobicContact CE1-CE 3.56Å; F140-M177 HydrophobicContact CE1-CG 3.89Å; F140-M177 HydrophobicContact CE1-SD 4.02Å; F140-M177 HydrophobicContact CZ-CG 4.32Å; F140-L178 HydrophobicContact CD1-CD2 4.04Å; F140-L178 HydrophobicContact CE1-CD2 3.48Å; F140-L178 VanDerWaalsContact CE1-CD2 3.48Å; F140-L178 HydrophobicContact CE1-CG 4.1Å; F140-L178 HydrophobicContact CZ-CD2 4.14Å; F140-F181 HydrophobicContact CE2-CB 4.31Å; F140-F181 HydrophobicContact CE2-CD1 4.2Å; F140-F181 HydrophobicContact CE2-CD2 4.15Å; F140-F181 AromaticContact CE2-CG 3.94Å; F140-F181 HydrophobicContact CE2-CG 3.94Å; F140-F181 HydrophobicContact CZ-CB 3.77Å; F140-F181 HydrophobicContact CZ-CD1 4.16Å; F140-F181 HydrophobicContact CZ-CD2 4.45Å; F140-F181 AromaticContact CZ-CG 3.86Å; F140-F181 HydrophobicContact CZ-CG 3.86Å; F140-V193 HydrophobicContact CD2-CG1 4.42Å; F140-V193 HydrophobicContact CE2-CG1 4.31Å; F140-K196 HydrophobicContact CB-CB 4.01Å; F140-A197 HydrophobicContact CD2-CB 4.06Å; F140-A197 HydrophobicContact CE1-CB 4.33Å; F140-A197 HydrophobicContact CE2-CB 3.81Å; F140-A197 HydrophobicContact CG-CB 4.44Å; F140-A197 HydrophobicContact CZ-CB 3.97Å; F140-C200 HydrophobicContact CB-CB 4.15Å; F140-C200 HydrophobicContact CD1-CB 4.04Å; F140-C200 HydrophobicContact CG-CB 4.47Å
141D92.1Very high84.5Confident24 Ų2437.4 Ų37.413%0.12820%0.198CC..Hα-helixtrans-63.3-44.8177.1-82.4-29.5000111.8L105 A137 D138 A144 A145 K196L105-D141 HydrophobicContact CD1-CB 3.55Å; A137-D141 PolarHBondContact O-N 3.41Å; D138-D141 PolarHBondContact O-N 3.03Å; D141-A144 PolarHBondContact O-N 3.4Å; D141-A145 WeakPolarHBondContact O-CB 3.31Å; D141-A145 PolarHBondContact O-N 3.08Å; D141-K196 VanDerWaalsContact OD1-CD 3.32Å; D141-K196 WeakPolarHBondContact OD1-CD 3.44Å; D141-K196 WeakPolarHBondContact OD1-CE 3.21Å; D141-K196 IonicContact OD1-NZ 3.95Å; D141-K196 PolarHBondContact OD1-NZ 3.45Å; D141-K196 WeakPolarHBondContact OD2-CE 3.32Å; D141-K196 IonicContact OD2-NZ 2.83Å; D141-K196 PolarHBondContact OD2-NZ 3.09Å
142I92.4Very high85.5Confident0 Ų035.1 Ų35.10%020%0.195CC..Hα-helixtrans-60.2-49.1174.3-67.6165.7000109.8L105 L108 S109 I112 L127 W134 D138 A144 A145 L146L105-I142 HydrophobicContact CB-CG1 4.09Å; L105-I142 HydrophobicContact CD2-CD1 4.1Å; L105-I142 HydrophobicContact CD2-CG1 3.99Å; L105-I142 HydrophobicContact CG-CG1 4.45Å; L108-I142 HydrophobicContact CD2-CD1 3.74Å; L108-I142 HydrophobicContact CD2-CG1 4.42Å; S109-I142 PolarHBondContact OG-O 3.3Å; S109-I142 VanDerWaalsContact OG-O 3.08Å; I112-I142 HydrophobicContact CD1-CG2 3.88Å; L127-I142 HydrophobicContact CD1-CD1 3.89Å; L127-I142 HydrophobicContact CD1-CG2 4.04Å; W134-I142 HydrophobicContact CE3-CD1 4.45Å; W134-I142 HydrophobicContact CH2-CD1 4.28Å; W134-I142 HydrophobicContact CZ3-CD1 3.97Å; D138-I142 WeakPolarHBondContact O-CG1 3.34Å; D138-I142 PolarHBondContact O-N 2.88Å; I142-A144 VanDerWaalsContact C-N 3.33Å; I142-A144 PolarHBondContact O-N 3.16Å; I142-A145 PolarHBondContact O-N 3.04Å; I142-L146 WeakPolarHBondContact O-CG 3.35Å; I142-L146 PolarHBondContact O-N 3.17Å
143A94Very high86.5Confident0 Ų028.3 Ų28.30%015%0.152CC..Hα-helixtrans-61.4-40.2-179.300000112.1L124 V139 F140 P147 M177 W204L124-A143 HydrophobicContact CD2-CB 4.33Å; V139-A143 WeakPolarHBondContact O-CB 3.48Å; V139-A143 PolarHBondContact O-N 3.46Å; F140-A143 PolarHBondContact O-N 3.45Å; A143-P147 WeakPolarHBondContact O-CD 3.25Å; A143-M177 HydrophobicContact CB-CE 4.16Å; A143-W204 PolarHBondContact O-NE1 2.83Å
144A95.2Very high87.4Confident8 Ų828.1 Ų28.17%0.06615%0.151CC..Hα-helixtrans-64.6-44.4175.700000111.7F140 D141 I142 L146 P147 C200 E203F140-A144 VanDerWaalsContact O-CB 3.3Å; F140-A144 WeakPolarHBondContact O-CB 3.42Å; F140-A144 PolarHBondContact O-N 2.82Å; D141-A144 PolarHBondContact O-N 3.4Å; I142-A144 VanDerWaalsContact C-N 3.33Å; I142-A144 PolarHBondContact O-N 3.16Å; A144-L146 VanDerWaalsContact C-N 3.26Å; A144-L146 PolarHBondContact O-N 3.28Å; A144-P147 VanDerWaalsContact O-CD 3.25Å; A144-P147 WeakPolarHBondContact O-CD 3.45Å; A144-P147 WeakPolarHBondContact O-CG 3.33Å; A144-C200 HydrophobicContact CB-CB 4.1Å; A144-E203 HydrophobicContact CB-CB 4.46Å; A144-E203 HydrophobicContact CB-CG 4.13Å; A144-E203 WeakPolarHBondContact O-CB 3.32Å
145A93.5Very high88.1Confident3 Ų328.6 Ų28.63%0.02516%0.156CC..Hα-helixtrans-67.2-22.5-178.800000113.3S109 D141 I142 E149S109-A145 WeakPolarHBondContact OG-CB 3.48Å; D141-A145 WeakPolarHBondContact O-CB 3.31Å; D141-A145 PolarHBondContact O-N 3.08Å; I142-A145 PolarHBondContact O-N 3.04Å; A145-E149 HydrophobicContact CB-CG 4.4Å; A145-E149 WeakPolarHBondContact O-CB 3.23Å; A145-E149 WeakPolarHBondContact O-CG 3.08Å; A145-E149 PolarHBondContact O-N 2.94Å
146L95.2Very high87.9Confident0 Ų027.3 Ų27.30%015%0.149CC..Hα-helixtrans-59.5-59.4179.5-72.6173.5000113.7I112 L113 L124 I142 A144 F150 L167I112-L146 HydrophobicContact CB-CD2 3.92Å; I112-L146 HydrophobicContact CD1-CD2 4.43Å; I112-L146 HydrophobicContact CG2-CD2 3.53Å; L113-L146 HydrophobicContact CD2-CD2 4.23Å; L113-L146 HydrophobicContact CG-CD2 4.21Å; L124-L146 HydrophobicContact CD1-CD1 4.47Å; L124-L146 HydrophobicContact CD2-CD1 4.34Å; L124-L146 HydrophobicContact CG-CD1 4.49Å; I142-L146 WeakPolarHBondContact O-CG 3.35Å; I142-L146 PolarHBondContact O-N 3.17Å; A144-L146 VanDerWaalsContact C-N 3.26Å; A144-L146 PolarHBondContact O-N 3.28Å; L146-F150 VanDerWaalsContact O-CB 3.31Å; L146-F150 WeakPolarHBondContact O-CB 3.3Å; L146-F150 PolarHBondContact O-N 2.95Å; L146-L167 HydrophobicContact CB-CD2 3.95Å; L146-L167 HydrophobicContact CD1-CD2 4.31Å
147P93.1Very high87.5Confident3 Ų329.2 Ų29.22%0.01917%0.165CC..Hα-helixtrans-63.5-38.4175.124.6-34.4000112.8A143 A144 F150 M151 E203 W204 F207A143-P147 WeakPolarHBondContact O-CD 3.25Å; A144-P147 VanDerWaalsContact O-CD 3.25Å; A144-P147 WeakPolarHBondContact O-CD 3.45Å; A144-P147 WeakPolarHBondContact O-CG 3.33Å; P147-F150 PolarHBondContact O-N 3.43Å; P147-M151 WeakPolarHBondContact O-CG 3.45Å; P147-M151 PolarHBondContact O-N 3.48Å; P147-E203 HydrophobicContact CG-CB 3.84Å; P147-W204 HydrophobicContact CG-CD2 4.3Å; P147-W204 HydrophobicContact CG-CG 4.32Å; P147-F207 HydrophobicContact CB-CB 3.62Å; P147-F207 HydrophobicContact CB-CD1 4.33Å; P147-F207 HydrophobicContact CB-CD2 3.74Å; P147-F207 HydrophobicContact CB-CE2 4.46Å; P147-F207 HydrophobicContact CB-CG 3.65Å
148E91.4Very high87.1Confident87 Ų8735 Ų3541%0.40719%0.192SC..Hα-helixtrans-58-54.2177.6-172.7-166.1167.200111H106 F150 M151H106-E148 IonicContact CE1-OE2 2.97Å; H106-E148 PolarHBondContact CE1-OE2 3.28Å; E148-F150 VanDerWaalsContact C-N 3.32Å; E148-F150 PolarHBondContact O-N 2.64Å; E148-M151 WeakPolarHBondContact O-CB 3.39Å; E148-M151 PolarHBondContact O-N 3.14Å
149E89.7Confident86.7Confident2 Ų236.9 Ų36.91%0.00920%0.197CC..Hα-helixtrans-66.3-35-179.4-68.7-64165.300111.9R69 H106 L110 L113 A145 M151 S152 Y153R69-E149 IonicContact CZ-OE1 3.29Å; R69-E149 IonicContact CZ-OE2 2.79Å; R69-E149 IonicContact NE-OE2 3.76Å; R69-E149 PolarHBondContact NE-OE2 3.47Å; R69-E149 IonicContact NH2-OE1 3.26Å; R69-E149 PolarHBondContact NH2-OE1 3.37Å; R69-E149 IonicContact NH2-OE2 3.39Å; R69-E149 PolarHBondContact NH2-OE2 3.46Å; H106-E149 IonicContact CE1-OE1 2.92Å; H106-E149 IonicContact CG-OE1 3.97Å; H106-E149 IonicContact ND1-OE1 2.81Å; H106-E149 PolarHBondContact ND1-OE1 3.03Å; L110-E149 HydrophobicContact CD2-CB 3.87Å; L110-E149 HydrophobicContact CD2-CG 4.27Å; L110-E149 HydrophobicContact CG-CB 4.17Å; L110-E149 HydrophobicContact CG-CG 4.07Å; L113-E149 HydrophobicContact CD1-CB 3.77Å; A145-E149 HydrophobicContact CB-CG 4.4Å; A145-E149 WeakPolarHBondContact O-CB 3.23Å; A145-E149 WeakPolarHBondContact O-CG 3.08Å; A145-E149 PolarHBondContact O-N 2.94Å; E149-M151 PolarHBondContact O-N 3.18Å; E149-S152 PolarHBondContact O-N 3.46Å; E149-S152 VanDerWaalsContact O-N 3.07Å; E149-S152 PolarHBondContact O-OG 3Å; E149-Y153 WeakPolarHBondContact O-CB 3.21Å; E149-Y153 PolarHBondContact O-N 3.31Å
150F90.2Very high86.4Confident4 Ų440.6 Ų40.62%0.01821%0.211CC..Hα-helixtrans-57.6-32.2176175.4-91.6000112.3L113 L146 P147 E148 S152 Y153 R160 V163 R164 L167 F207L113-F150 HydrophobicContact CD1-CB 4.19Å; L113-F150 HydrophobicContact CD2-CB 4.28Å; L113-F150 HydrophobicContact CD2-CD2 4.48Å; L146-F150 VanDerWaalsContact O-CB 3.31Å; L146-F150 WeakPolarHBondContact O-CB 3.3Å; L146-F150 PolarHBondContact O-N 2.95Å; P147-F150 PolarHBondContact O-N 3.43Å; E148-F150 VanDerWaalsContact C-N 3.32Å; E148-F150 PolarHBondContact O-N 2.64Å; F150-S152 VanDerWaalsContact C-N 3.33Å; F150-S152 PolarHBondContact O-N 2.9Å; F150-Y153 HydrophobicContact CD2-CD1 4.47Å; F150-Y153 PolarHBondContact O-N 2.91Å; F150-R160 HydrophobicContact CE2-CG 3.82Å; F150-R160 HydrophobicContact CZ-CG 3.58Å; F150-R160 PolarHBondContact O-NH1 3.49Å; F150-R160 PolarHBondContact O-NH2 3.05Å; F150-V163 HydrophobicContact CD2-CG1 3.89Å; F150-V163 HydrophobicContact CE2-CB 4.22Å; F150-V163 HydrophobicContact CE2-CG1 4.01Å; F150-R164 HydrophobicContact CE1-CB 4.36Å; F150-R164 HydrophobicContact CE1-CG 4.39Å; F150-R164 HydrophobicContact CE2-CB 4.1Å; F150-R164 HydrophobicContact CZ-CB 3.64Å; F150-R164 HydrophobicContact CZ-CG 4.15Å; F150-L167 HydrophobicContact CB-CD1 3.88Å; F150-L167 HydrophobicContact CD2-CD1 3.8Å; F150-L167 HydrophobicContact CG-CD1 3.83Å; F150-F207 HydrophobicContact CD1-CD2 4.48Å; F150-F207 AromaticContact CD1-CE2 3.58Å; F150-F207 HydrophobicContact CD1-CE2 3.58Å; F150-F207 HydrophobicContact CD1-CZ 4.4Å; F150-F207 AromaticContact CE1-CE2 3.96Å; F150-F207 HydrophobicContact CE1-CE2 3.96Å; F150-F207 HydrophobicContact CG-CE2 4.23Å
151M85.5Confident86.1Confident116 Ų11645 Ų4557%0.57124%0.241SC*.Hα-helixtrans-63.6-40177.6-64.3-58.4-75.100111.6P147 E148 E149 R160P147-M151 WeakPolarHBondContact O-CG 3.45Å; P147-M151 PolarHBondContact O-N 3.48Å; E148-M151 WeakPolarHBondContact O-CB 3.39Å; E148-M151 PolarHBondContact O-N 3.14Å; E149-M151 PolarHBondContact O-N 3.18Å; M151-R160 PolarHBondContact O-NH2 3.45Å
152S81.8Confident85.8Confident65 Ų6547.7 Ų47.746%0.45525%0.254SS..Hα-helixtrans-90.4-11.1179.875.40000114.9E149 F150 S154E149-S152 PolarHBondContact O-N 3.46Å; E149-S152 VanDerWaalsContact O-N 3.07Å; E149-S152 PolarHBondContact O-OG 3Å; F150-S152 VanDerWaalsContact C-N 3.33Å; F150-S152 PolarHBondContact O-N 2.9Å; S152-S154 PolarHBondContact O-N 3.18Å
153Y78.6Confident85.6Confident4 Ų447.7 Ų47.72%0.01625%0.254CS..  trans-64.6120.4-175.8176.3-118.4000114.2L113 R114 E149 F150 C155 R160L113-Y153 HydrophobicContact CB-CE2 4.47Å; R114-Y153 WeakPolarHBondContact CD-OH 2.86Å; R114-Y153 HydrophobicContact CG-CE2 3.92Å; R114-Y153 VanDerWaalsContact NE-CE2 3.3Å; R114-Y153 PolarHBondContact NH1-OH 3.37Å; R114-Y153 VanDerWaalsContact NH2-CE2 3.31Å; E149-Y153 WeakPolarHBondContact O-CB 3.21Å; E149-Y153 PolarHBondContact O-N 3.31Å; F150-Y153 HydrophobicContact CD2-CD1 4.47Å; F150-Y153 PolarHBondContact O-N 2.91Å; Y153-C155 HydrophobicContact CD1-CB 4.26Å; Y153-C155 HydrophobicContact CE1-CB 3.61Å; Y153-C155 WeakPolarHBondContact CE1-SG 3.49Å; Y153-R160 PolarHBondContact O-NH1 3.13Å
154S77.4Confident85.4Confident57 Ų5751.4 Ų51.440%0.39927%0.269SS..  trans-93114.2178.3-175.60000112.4R69 R114 S152R69-S154 VanDerWaalsContact O-CB 3.25Å; R69-S154 WeakPolarHBondContact O-CB 3.48Å; R69-S154 PolarHBondContact O-N 2.99Å; R114-S154 PolarHBondContact NH2-O 3.39Å; S152-S154 PolarHBondContact O-N 3.18Å
155C78.6Confident85.2Confident19 Ų1952.4 Ų52.413%0.12828%0.28CS..  trans-150.1173.1173.363.60000111Y153 R159 R160Y153-C155 HydrophobicContact CD1-CB 4.26Å; Y153-C155 HydrophobicContact CE1-CB 3.61Å; Y153-C155 WeakPolarHBondContact CE1-SG 3.49Å; C155-R159 HydrophobicContact CB-CG 4.46Å; C155-R160 VanDerWaalsContact SG-CA 3.57Å; C155-R160 WeakPolarHBondContact SG-CB 2.94Å
156Q75.4Confident85Confident110 Ų11053.9 Ų53.951%0.51429%0.286SS..  trans-62144175.7-66.9-177.5-11.300110.5H71 E158 R159 R160H71-Q156 PolarHBondContact CE1-N 3.46Å; Q156-E158 PolarHBondContact O-N 3.43Å; Q156-R159 PolarHBondContact O-N 3.27Å; Q156-R160 PolarHBondContact O-N 2.97Å
157P75.4Confident84.9Confident90 Ų9053.9 Ų53.958%0.58429%0.286SS*.Hα-helixtrans-52.7-39.6-177.3-27.235.1000113.8R160 C161P157-R160 WeakPolarHBondContact O-CB 3.43Å; P157-R160 PolarHBondContact O-N 3.42Å; P157-C161 PolarHBondContact O-N 2.92Å; P157-C161 PolarHBondContact O-SG 3.47Å; P157-C161 VanDerWaalsContact O-SG 3.39Å
158E77.5Confident84.8Confident126 Ų12656 Ų5659%0.58930%0.297SS*.Hα-helixtrans-64-46.8179-61.372.8-159.400110.9Q156 R160 C161 I162Q156-E158 PolarHBondContact O-N 3.43Å; E158-R160 VanDerWaalsContact C-N 3.34Å; E158-R160 PolarHBondContact O-N 3.43Å; E158-C161 PolarHBondContact O-N 2.67Å; E158-I162 WeakPolarHBondContact O-CG1 3.26Å; E158-I162 PolarHBondContact O-N 2.87Å
159R80.4Confident84.8Confident57 Ų5758.4 Ų58.422%0.21531%0.306CS..Hα-helixtrans-65.1-38.9175.4-176.557.1169.4-155.7-8.4111.3R114 M116 D118 C155 Q156 C161 I162 V163R114-R159 PolarHBondContact O-NH2 3.47Å; M116-R159 PolarHBondContact O-NH2 2.99Å; D118-R159 IonicContact OD2-CZ 2.71Å; D118-R159 VanDerWaalsContact OD2-CZ 3.25Å; D118-R159 IonicContact OD2-NH1 2.66Å; D118-R159 PolarHBondContact OD2-NH1 2.97Å; D118-R159 IonicContact OD2-NH2 3.26Å; D118-R159 PolarHBondContact OD2-NH2 3.19Å; C155-R159 HydrophobicContact CB-CG 4.46Å; Q156-R159 PolarHBondContact O-N 3.27Å; R159-C161 VanDerWaalsContact C-N 3.29Å; R159-C161 PolarHBondContact O-N 2.91Å; R159-I162 PolarHBondContact O-N 3.4Å; R159-I162 VanDerWaalsContact O-N 3.16Å; R159-V163 HydrophobicContact CG-CG2 4.24Å; R159-V163 WeakPolarHBondContact O-CG2 3.33Å; R159-V163 PolarHBondContact O-N 2.62Å
160R84.5Confident84.8Confident78 Ų7858.8 Ų58.829%0.29431%0.308SS..Hα-helixtrans-59.4-41.6177.3-164.5174.6176.2107.8-0.7111.4F150 M151 Y153 C155 Q156 P157 E158 R164F150-R160 HydrophobicContact CE2-CG 3.82Å; F150-R160 HydrophobicContact CZ-CG 3.58Å; F150-R160 PolarHBondContact O-NH1 3.49Å; F150-R160 PolarHBondContact O-NH2 3.05Å; M151-R160 PolarHBondContact O-NH2 3.45Å; Y153-R160 PolarHBondContact O-NH1 3.13Å; C155-R160 VanDerWaalsContact SG-CA 3.57Å; C155-R160 WeakPolarHBondContact SG-CB 2.94Å; Q156-R160 PolarHBondContact O-N 2.97Å; P157-R160 WeakPolarHBondContact O-CB 3.43Å; P157-R160 PolarHBondContact O-N 3.42Å; E158-R160 VanDerWaalsContact C-N 3.34Å; E158-R160 PolarHBondContact O-N 3.43Å; R160-R164 WeakPolarHBondContact O-CB 3.48Å; R160-R164 PolarHBondContact O-N 3.44Å
161C85.4Confident85Confident93 Ų9359.3 Ų59.363%0.62831%0.31SS*.Hα-helixtrans-63.3-42.5174.9-72.30000112.4P157 E158 R159 R164 G165P157-C161 PolarHBondContact O-N 2.92Å; P157-C161 PolarHBondContact O-SG 3.47Å; P157-C161 VanDerWaalsContact O-SG 3.39Å; E158-C161 PolarHBondContact O-N 2.67Å; R159-C161 VanDerWaalsContact C-N 3.29Å; R159-C161 PolarHBondContact O-N 2.91Å; C161-R164 PolarHBondContact O-N 3.45Å; C161-G165 PolarHBondContact O-N 3.4Å
162I87.4Confident85.4Confident79 Ų7957.8 Ų57.841%0.40531%0.309SS..Hα-helixtrans-62.3-52.3176.8-65.3166.8000110.3P117 E158 R159 R164 G165 E166P117-I162 HydrophobicContact CG-CG2 4.15Å; E158-I162 WeakPolarHBondContact O-CG1 3.26Å; E158-I162 PolarHBondContact O-N 2.87Å; R159-I162 PolarHBondContact O-N 3.4Å; R159-I162 VanDerWaalsContact O-N 3.16Å; I162-R164 VanDerWaalsContact C-N 3.3Å; I162-R164 PolarHBondContact O-N 3.41Å; I162-G165 CarbonylContact O-C 3.59Å; I162-G165 WeakPolarHBondContact O-CA 3.48Å; I162-G165 PolarHBondContact O-N 2.63Å; I162-E166 PolarHBondContact O-N 2.69Å
163V87.7Confident85.8Confident0 Ų058.3 Ų58.30%030%0.301CS..Hα-helixtrans-60.2-41.2-179.9175.40000111L113 M116 F150 R159 G165 E166 L167L113-V163 HydrophobicContact CD2-CG1 3.83Å; M116-V163 HydrophobicContact CE-CG1 4.27Å; F150-V163 HydrophobicContact CD2-CG1 3.89Å; F150-V163 HydrophobicContact CE2-CB 4.22Å; F150-V163 HydrophobicContact CE2-CG1 4.01Å; R159-V163 HydrophobicContact CG-CG2 4.24Å; R159-V163 WeakPolarHBondContact O-CG2 3.33Å; R159-V163 PolarHBondContact O-N 2.62Å; V163-G165 VanDerWaalsContact C-N 3.31Å; V163-G165 PolarHBondContact O-N 3.04Å; V163-E166 PolarHBondContact O-N 3.47Å; V163-L167 HydrophobicContact CG1-CD1 4.39Å; V163-L167 WeakPolarHBondContact O-CG 3.38Å; V163-L167 PolarHBondContact O-N 3.03Å
164R90.1Very high86.6Confident79 Ų7958.2 Ų58.230%0.29830%0.301SS..Hα-helixtrans-59.3-43172.9-170.9173177.375.66.5111.7F150 R160 C161 I162 L167 L168 F207F150-R164 HydrophobicContact CE1-CB 4.36Å; F150-R164 HydrophobicContact CE1-CG 4.39Å; F150-R164 HydrophobicContact CE2-CB 4.1Å; F150-R164 HydrophobicContact CZ-CB 3.64Å; F150-R164 HydrophobicContact CZ-CG 4.15Å; R160-R164 WeakPolarHBondContact O-CB 3.48Å; R160-R164 PolarHBondContact O-N 3.44Å; C161-R164 PolarHBondContact O-N 3.45Å; I162-R164 VanDerWaalsContact C-N 3.3Å; I162-R164 PolarHBondContact O-N 3.41Å; R164-L167 PolarHBondContact O-N 3.25Å; R164-L168 HydrophobicContact CG-CD1 4.32Å; R164-L168 WeakPolarHBondContact O-CG 3.34Å; R164-L168 PolarHBondContact O-N 2.94Å; R164-F207 HydrophobicContact CG-CZ 3.94Å; R164-F207 PolarHBondContact NH2-O 3.33Å
165G89.9Confident87.4Confident29 Ų2956.2 Ų56.230%0.29929%0.286SS..Hα-helixtrans-60.2-44.117600000112.5C161 I162 V163 L168 K169C161-G165 PolarHBondContact O-N 3.4Å; I162-G165 CarbonylContact O-C 3.59Å; I162-G165 WeakPolarHBondContact O-CA 3.48Å; I162-G165 PolarHBondContact O-N 2.63Å; V163-G165 VanDerWaalsContact C-N 3.31Å; V163-G165 PolarHBondContact O-N 3.04Å; G165-L168 PolarHBondContact O-N 3.49Å; G165-K169 WeakPolarHBondContact O-CG 3.41Å; G165-K169 PolarHBondContact O-N 2.94Å; G165-K169 VanDerWaalsContact O-N 3.09Å
166E90.7Very high88.2Confident34 Ų3461.1 Ų61.116%0.15931%0.305CS..Hα-helixtrans-66-42.5176.6-62.9-48.4129.300112.4M116 P117 I162 V163 L168 K169 M170M116-E166 HydrophobicContact SD-CB 4.15Å; P117-E166 HydrophobicContact CB-CG 3.98Å; P117-E166 HydrophobicContact CG-CG 4.39Å; I162-E166 PolarHBondContact O-N 2.69Å; V163-E166 PolarHBondContact O-N 3.47Å; E166-L168 VanDerWaalsContact C-N 3.32Å; E166-L168 PolarHBondContact O-N 2.94Å; E166-K169 WeakPolarHBondContact O-CB 3.41Å; E166-K169 PolarHBondContact O-N 3.23Å; E166-K169 IonicContact OE1-NZ 2.71Å; E166-K169 PolarHBondContact OE1-NZ 3.37Å; E166-K169 WeakPolarHBondContact OE2-CD 3.42Å; E166-K169 IonicContact OE2-NZ 2.8Å; E166-K169 PolarHBondContact OE2-NZ 3.29Å; E166-M170 PolarHBondContact O-N 3Å
167L91.7Very high89Confident0 Ų056.5 Ų56.50%028%0.283CS..Hα-helixtrans-58.6-43.7174.1-73174.4000111.9L113 M116 L146 F150 V163 R164 K169 M170 E171 W204 F207L113-L167 HydrophobicContact CD2-CD1 3.79Å; L113-L167 HydrophobicContact CD2-CD2 3.99Å; L113-L167 HydrophobicContact CD2-CG 4.19Å; M116-L167 HydrophobicContact CE-CD2 3.82Å; M116-L167 HydrophobicContact CE-CG 4.2Å; L146-L167 HydrophobicContact CB-CD2 3.95Å; L146-L167 HydrophobicContact CD1-CD2 4.31Å; F150-L167 HydrophobicContact CB-CD1 3.88Å; F150-L167 HydrophobicContact CD2-CD1 3.8Å; F150-L167 HydrophobicContact CG-CD1 3.83Å; V163-L167 HydrophobicContact CG1-CD1 4.39Å; V163-L167 WeakPolarHBondContact O-CG 3.38Å; V163-L167 PolarHBondContact O-N 3.03Å; R164-L167 PolarHBondContact O-N 3.25Å; L167-K169 VanDerWaalsContact C-N 3.26Å; L167-K169 PolarHBondContact O-N 3.44Å; L167-M170 WeakPolarHBondContact O-CA 3.32Å; L167-M170 WeakPolarHBondContact O-CB 3.37Å; L167-M170 PolarHBondContact O-N 2.94Å; L167-E171 PolarHBondContact O-N 3.29Å; L167-W204 HydrophobicContact CB-CH2 4.46Å; L167-W204 HydrophobicContact CD2-CH2 4.44Å; L167-W204 WeakPolarHBondContact O-CH2 3.31Å; L167-W204 WeakPolarHBondContact O-CZ3 3.46Å; L167-F207 HydrophobicContact CB-CE1 3.85Å; L167-F207 HydrophobicContact CB-CZ 3.85Å; L167-F207 HydrophobicContact CD1-CE1 4.44Å; L167-F207 HydrophobicContact CD1-CE2 4.25Å; L167-F207 HydrophobicContact CD1-CZ 3.75Å; L167-F207 HydrophobicContact CG-CZ 4.49Å
168L91.3Very high89.9Confident48 Ų4852.2 Ų52.225%0.25126%0.256SS..Hα-helixtrans-66-27.3176.4-69.3172.7000112.7R164 G165 E166 M170 E171 F207R164-L168 HydrophobicContact CG-CD1 4.32Å; R164-L168 WeakPolarHBondContact O-CG 3.34Å; R164-L168 PolarHBondContact O-N 2.94Å; G165-L168 PolarHBondContact O-N 3.49Å; E166-L168 VanDerWaalsContact C-N 3.32Å; E166-L168 PolarHBondContact O-N 2.94Å; L168-M170 VanDerWaalsContact C-N 3.27Å; L168-M170 PolarHBondContact O-N 3.31Å; L168-E171 VanDerWaalsContact O-CB 3.31Å; L168-E171 WeakPolarHBondContact O-CB 3.35Å; L168-E171 PolarHBondContact O-N 3.47Å; L168-F207 HydrophobicContact CD2-CD1 4.09Å; L168-F207 HydrophobicContact CD2-CE1 3.71Å; L168-F207 HydrophobicContact CG-CE1 4.01Å
169K90.8Very high90.7Very high136 Ų13649.1 Ų49.159%0.59124%0.243SC*.Hα-helixtrans-70.3-24.1170.6-68.5171.7-171.7170.60112.6G165 E166 L167 P172G165-K169 WeakPolarHBondContact O-CG 3.41Å; G165-K169 PolarHBondContact O-N 2.94Å; G165-K169 VanDerWaalsContact O-N 3.09Å; E166-K169 WeakPolarHBondContact O-CB 3.41Å; E166-K169 PolarHBondContact O-N 3.23Å; E166-K169 IonicContact OE1-NZ 2.71Å; E166-K169 PolarHBondContact OE1-NZ 3.37Å; E166-K169 WeakPolarHBondContact OE2-CD 3.42Å; E166-K169 IonicContact OE2-NZ 2.8Å; E166-K169 PolarHBondContact OE2-NZ 3.29Å; L167-K169 VanDerWaalsContact C-N 3.26Å; L167-K169 PolarHBondContact O-N 3.44Å; K169-P172 WeakPolarHBondContact O-CD 3.44Å
170M91.5Very high91.3Very high11 Ų1151.4 Ų51.45%0.05426%0.256CS..Hα-helixtrans-79.4-21.4174.9-62.8-177.7-179.300113M116 P123 L124 E166 L167 L168 R173 V174 W204M116-M170 HydrophobicContact CG-CE 4.33Å; M116-M170 HydrophobicContact SD-CE 3.15Å; M116-M170 WeakPolarHBondContact SD-CE 3.32Å; M116-M170 HydrophobicContact SD-SD 4.08Å; P123-M170 VanDerWaalsContact CD-CE 3.44Å; P123-M170 HydrophobicContact CG-CE 3.56Å; P123-M170 HydrophobicContact CG-SD 4.23Å; L124-M170 HydrophobicContact CD1-CB 4.36Å; L124-M170 HydrophobicContact CD1-SD 4.25Å; L124-M170 HydrophobicContact CG-SD 4.41Å; E166-M170 PolarHBondContact O-N 3Å; L167-M170 WeakPolarHBondContact O-CA 3.32Å; L167-M170 WeakPolarHBondContact O-CB 3.37Å; L167-M170 PolarHBondContact O-N 2.94Å; L168-M170 VanDerWaalsContact C-N 3.27Å; L168-M170 PolarHBondContact O-N 3.31Å; M170-R173 WeakPolarHBondContact O-CA 3.12Å; M170-R173 VanDerWaalsContact O-CB 3.27Å; M170-R173 WeakPolarHBondContact O-CB 3.34Å; M170-R173 PolarHBondContact O-N 2.97Å; M170-V174 PolarHBondContact O-N 3.01Å; M170-V174 VanDerWaalsContact O-N 3.13Å; M170-W204 HydrophobicContact CB-CH2 4.15Å
171E93.4Very high91.6Very high14 Ų1447.9 Ų47.97%0.06524%0.243CC..Hα-helixtrans-49.7-48.2-177.1-177.4-176.1171.700113.9L167 L168 R173 V174 L175 W204 T208 W214L167-E171 PolarHBondContact O-N 3.29Å; L168-E171 VanDerWaalsContact O-CB 3.31Å; L168-E171 WeakPolarHBondContact O-CB 3.35Å; L168-E171 PolarHBondContact O-N 3.47Å; E171-R173 PolarHBondContact O-N 2.8Å; E171-R173 VanDerWaalsContact O-N 3.12Å; E171-V174 PolarHBondContact O-N 3.33Å; E171-V174 VanDerWaalsContact O-N 3.16Å; E171-L175 HydrophobicContact CG-CD1 4.32Å; E171-L175 WeakPolarHBondContact O-CG 3.42Å; E171-L175 PolarHBondContact O-N 2.83Å; E171-W204 HydrophobicContact CB-CE3 4.29Å; E171-W204 HydrophobicContact CB-CZ3 4.01Å; E171-W204 HydrophobicContact CG-CE3 4.4Å; E171-T208 VanDerWaalsContact CD-OG1 3.25Å; E171-T208 WeakPolarHBondContact OE1-CB 3.39Å; E171-T208 PolarHBondContact OE1-OG1 2.99Å; E171-T208 PolarHBondContact OE2-OG1 2.61Å; E171-W214 HydrophobicContact CG-CZ2 4.05Å; E171-W214 PolarHBondContact OE1-NE1 2.99Å
172P93.4Very high91.9Very high85 Ų8544.7 Ų44.755%0.55222%0.218SC*.Hα-helixtrans-60.2-27.3178.1-2335.3000113.6K169 K176K169-P172 WeakPolarHBondContact O-CD 3.44Å; P172-K176 WeakPolarHBondContact O-CB 3.3Å; P172-K176 PolarHBondContact O-N 2.69Å
173R91.6Very high92Very high76 Ų7645.2 Ų45.229%0.28723%0.229SC..Hα-helixtrans-77.7-42.3178.2-173171-62.1-173.95.7111.8D122 Q125 M170 E171 L175 K176 M177D122-R173 IonicContact OD1-CZ 3.4Å; D122-R173 IonicContact OD1-NH1 2.69Å; D122-R173 PolarHBondContact OD1-NH1 2.93Å; D122-R173 IonicContact OD1-NH2 3.62Å; D122-R173 IonicContact OD2-CZ 3.84Å; D122-R173 IonicContact OD2-NH1 3.78Å; D122-R173 PolarHBondContact OD2-NH1 2.81Å; D122-R173 IonicContact OD2-NH2 2.72Å; D122-R173 PolarHBondContact OD2-NH2 3.12Å; Q125-R173 VanDerWaalsContact CA-NH1 3.26Å; M170-R173 WeakPolarHBondContact O-CA 3.12Å; M170-R173 VanDerWaalsContact O-CB 3.27Å; M170-R173 WeakPolarHBondContact O-CB 3.34Å; M170-R173 PolarHBondContact O-N 2.97Å; E171-R173 PolarHBondContact O-N 2.8Å; E171-R173 VanDerWaalsContact O-N 3.12Å; R173-L175 VanDerWaalsContact C-N 3.29Å; R173-K176 PolarHBondContact O-N 2.91Å; R173-M177 WeakPolarHBondContact O-CB 3.43Å; R173-M177 PolarHBondContact O-N 2.71Å
174V94.7Very high91.9Very high1 Ų149.8 Ų49.81%0.00625%0.253CS..Hα-helixtrans-61.2-44.2174.5178.20000109.8L124 M170 E171 K176 M177 L178 W204 W214L124-V174 HydrophobicContact CD1-CG2 3.76Å; M170-V174 PolarHBondContact O-N 3.01Å; M170-V174 VanDerWaalsContact O-N 3.13Å; E171-V174 PolarHBondContact O-N 3.33Å; E171-V174 VanDerWaalsContact O-N 3.16Å; V174-K176 PolarHBondContact O-N 3.49Å; V174-M177 HydrophobicContact CG1-CE 4.33Å; V174-M177 PolarHBondContact O-N 2.9Å; V174-L178 HydrophobicContact CG1-CD1 3.98Å; V174-L178 HydrophobicContact CG1-CG 4.5Å; V174-L178 WeakPolarHBondContact O-CG 3.42Å; V174-L178 PolarHBondContact O-N 3.48Å; V174-W204 HydrophobicContact CB-CD2 4.43Å; V174-W204 HydrophobicContact CG1-CD2 4.21Å; V174-W204 HydrophobicContact CG1-CG 4.01Å; V174-W204 HydrophobicContact CG2-CD2 4.29Å; V174-W204 HydrophobicContact CG2-CH2 4.26Å; V174-W204 HydrophobicContact CG2-CZ2 3.73Å; V174-W214 HydrophobicContact CG1-CH2 4.23Å
175L95Very high91.4Very high15 Ų1552.5 Ų52.58%0.07928%0.281CS..Hα-helixtrans-54.3-51.7171.8-79171.8000111.9E171 R173 M177 L178 L179 A213 W214 V217E171-L175 HydrophobicContact CG-CD1 4.32Å; E171-L175 WeakPolarHBondContact O-CG 3.42Å; E171-L175 PolarHBondContact O-N 2.83Å; R173-L175 VanDerWaalsContact C-N 3.29Å; L175-M177 PolarHBondContact O-N 2.88Å; L175-L178 PolarHBondContact O-N 3.06Å; L175-L179 WeakPolarHBondContact O-CB 3.38Å; L175-L179 VanDerWaalsContact O-CG 3.28Å; L175-L179 WeakPolarHBondContact O-CG 3.47Å; L175-L179 PolarHBondContact O-N 2.99Å; L175-A213 HydrophobicContact CD1-CB 3.82Å; L175-W214 HydrophobicContact CD2-CB 4.47Å; L175-W214 HydrophobicContact CD2-CD2 3.38Å; L175-W214 HydrophobicContact CD2-CE3 3.59Å; L175-W214 HydrophobicContact CD2-CG 3.82Å; L175-W214 HydrophobicContact CD2-CH2 3.99Å; L175-W214 HydrophobicContact CD2-CZ2 3.81Å; L175-W214 HydrophobicContact CD2-CZ3 3.9Å; L175-W214 HydrophobicContact CG-CD2 4.28Å; L175-W214 HydrophobicContact CG-CH2 4.31Å; L175-W214 HydrophobicContact CG-CZ2 3.89Å; L175-V217 HydrophobicContact CD2-CB 4.39Å; L175-V217 HydrophobicContact CD2-CG2 3.66Å
176K93.8Very high90.9Very high123 Ų12353.7 Ų53.754%0.53529%0.293SS..Hα-helixtrans-59.2-46.1178.6-179.6178.6170.6-177.70112P172 R173 V174 L179 E180P172-K176 WeakPolarHBondContact O-CB 3.3Å; P172-K176 PolarHBondContact O-N 2.69Å; R173-K176 PolarHBondContact O-N 2.91Å; V174-K176 PolarHBondContact O-N 3.49Å; K176-L179 PolarHBondContact O-N 3.36Å; K176-E180 WeakPolarHBondContact CE-OE1 3.02Å; K176-E180 HydrophobicContact CG-CG 4.38Å; K176-E180 IonicContact NZ-OE1 3.25Å; K176-E180 WeakPolarHBondContact O-CB 3.49Å; K176-E180 WeakPolarHBondContact O-CG 3.46Å; K176-E180 PolarHBondContact O-N 2.99Å
177M92.7Very high90.2Very high12 Ų1252.3 Ų52.36%0.05929%0.288CS..Hα-helixtrans-60.6-45.3179.5178.5-177.462.600111.8L128 V139 F140 A143 R173 V174 L175 E180 F181L128-M177 HydrophobicContact CD1-SD 4.39Å; L128-M177 HydrophobicContact CD2-SD 4.05Å; V139-M177 HydrophobicContact CG1-SD 3.71Å; F140-M177 HydrophobicContact CD1-CE 3.57Å; F140-M177 HydrophobicContact CD1-SD 4.29Å; F140-M177 HydrophobicContact CE1-CE 3.56Å; F140-M177 HydrophobicContact CE1-CG 3.89Å; F140-M177 HydrophobicContact CE1-SD 4.02Å; F140-M177 HydrophobicContact CZ-CG 4.32Å; A143-M177 HydrophobicContact CB-CE 4.16Å; R173-M177 WeakPolarHBondContact O-CB 3.43Å; R173-M177 PolarHBondContact O-N 2.71Å; V174-M177 HydrophobicContact CG1-CE 4.33Å; V174-M177 PolarHBondContact O-N 2.9Å; L175-M177 PolarHBondContact O-N 2.88Å; M177-E180 PolarHBondContact O-N 3.22Å; M177-F181 WeakPolarHBondContact O-CB 2.89Å; M177-F181 PolarHBondContact O-N 3.42Å
178L94.8Very high89Confident0 Ų055.5 Ų55.50%030%0.304CS..Hα-helixtrans-62.4-45.8176.1-73.3166.7000111.3F140 V174 L175 F181 F182 A197 A201 W214 V217F140-L178 HydrophobicContact CD1-CD2 4.04Å; F140-L178 HydrophobicContact CE1-CD2 3.48Å; F140-L178 VanDerWaalsContact CE1-CD2 3.48Å; F140-L178 HydrophobicContact CE1-CG 4.1Å; F140-L178 HydrophobicContact CZ-CD2 4.14Å; V174-L178 HydrophobicContact CG1-CD1 3.98Å; V174-L178 HydrophobicContact CG1-CG 4.5Å; V174-L178 WeakPolarHBondContact O-CG 3.42Å; V174-L178 PolarHBondContact O-N 3.48Å; L175-L178 PolarHBondContact O-N 3.06Å; L178-F181 PolarHBondContact O-N 2.99Å; L178-F182 HydrophobicContact CB-CD2 4.42Å; L178-F182 HydrophobicContact CB-CE2 4.32Å; L178-F182 HydrophobicContact CD2-CE2 4.25Å; L178-F182 WeakPolarHBondContact O-CD2 3.33Å; L178-F182 PolarHBondContact O-N 3.02Å; L178-A197 HydrophobicContact CD2-CB 3.96Å; L178-A197 WeakPolarHBondContact CD2-O 3.37Å; L178-A201 HydrophobicContact CD1-CB 4.08Å; L178-W214 HydrophobicContact CD1-CH2 4.01Å; L178-W214 HydrophobicContact CD1-CZ3 3.72Å; L178-V217 HydrophobicContact CB-CG1 4.34Å; L178-V217 HydrophobicContact CB-CG2 4.27Å; L178-V217 HydrophobicContact CD1-CG1 4.09Å
179L94.6Very high88.2Confident61 Ų6156.1 Ų56.132%0.31932%0.322SS..Hα-helixtrans-63.2-42.9178.5-70.7173000112.5L175 K176 F181 F182 S183 T216 V217L175-L179 WeakPolarHBondContact O-CB 3.38Å; L175-L179 VanDerWaalsContact O-CG 3.28Å; L175-L179 WeakPolarHBondContact O-CG 3.47Å; L175-L179 PolarHBondContact O-N 2.99Å; K176-L179 PolarHBondContact O-N 3.36Å; L179-F181 VanDerWaalsContact C-N 3.34Å; L179-F182 PolarHBondContact O-N 3.22Å; L179-S183 WeakPolarHBondContact O-CB 3.4Å; L179-S183 PolarHBondContact O-N 3.48Å; L179-S183 PolarHBondContact O-OG 3.44Å; L179-T216 HydrophobicContact CD2-CG2 3.56Å; L179-V217 HydrophobicContact CD1-CG2 4.47Å; L179-V217 HydrophobicContact CD2-CG2 3.71Å; L179-V217 HydrophobicContact CG-CG2 3.76Å
180E92Very high87.9Confident106 Ų10655 Ų5550%0.49532%0.319SS..Hα-helixtrans-60.8-45175.3-75.8176.6168.100110.7K176 M177 S183 L184K176-E180 WeakPolarHBondContact CE-OE1 3.02Å; K176-E180 HydrophobicContact CG-CG 4.38Å; K176-E180 IonicContact NZ-OE1 3.25Å; K176-E180 WeakPolarHBondContact O-CB 3.49Å; K176-E180 WeakPolarHBondContact O-CG 3.46Å; K176-E180 PolarHBondContact O-N 2.99Å; M177-E180 PolarHBondContact O-N 3.22Å; E180-S183 PolarHBondContact O-N 3.12Å; E180-S183 PolarHBondContact O-OG 3.28Å; E180-L184 PolarHBondContact O-N 2.84Å
181F91.7Very high87.8Confident4 Ų456 Ų562%0.01833%0.326CS..Hα-helixtrans-60.7-50.7175.7171.6-103.9000112.5I136 F140 M177 L178 L179 S183 L184 A187 V193 T194 A197I136-F181 HydrophobicContact CD1-CB 4.43Å; I136-F181 HydrophobicContact CD1-CD2 4.15Å; F140-F181 HydrophobicContact CE2-CB 4.31Å; F140-F181 HydrophobicContact CE2-CD1 4.2Å; F140-F181 HydrophobicContact CE2-CD2 4.15Å; F140-F181 AromaticContact CE2-CG 3.94Å; F140-F181 HydrophobicContact CE2-CG 3.94Å; F140-F181 HydrophobicContact CZ-CB 3.77Å; F140-F181 HydrophobicContact CZ-CD1 4.16Å; F140-F181 HydrophobicContact CZ-CD2 4.45Å; F140-F181 AromaticContact CZ-CG 3.86Å; F140-F181 HydrophobicContact CZ-CG 3.86Å; M177-F181 WeakPolarHBondContact O-CB 2.89Å; M177-F181 PolarHBondContact O-N 3.42Å; L178-F181 PolarHBondContact O-N 2.99Å; L179-F181 VanDerWaalsContact C-N 3.34Å; F181-S183 PolarHBondContact O-N 3.34Å; F181-L184 HydrophobicContact CD2-CD1 4.37Å; F181-L184 WeakPolarHBondContact O-CB 3.49Å; F181-L184 PolarHBondContact O-N 3.48Å; F181-A187 HydrophobicContact CE1-CB 4.36Å; F181-A187 HydrophobicContact CE2-CB 4.21Å; F181-A187 HydrophobicContact CZ-CB 4.08Å; F181-A187 VanDerWaalsContact O-CB 3.28Å; F181-A187 WeakPolarHBondContact O-CB 3.42Å; F181-V193 HydrophobicContact CD2-CG1 4.3Å; F181-V193 HydrophobicContact CE2-CB 4.16Å; F181-V193 HydrophobicContact CE2-CG1 3.45Å; F181-V193 VanDerWaalsContact CE2-CG1 3.45Å; F181-V193 HydrophobicContact CZ-CB 4.07Å; F181-V193 HydrophobicContact CZ-CG1 3.68Å; F181-T194 HydrophobicContact CE1-CG2 4.49Å; F181-A197 HydrophobicContact CD1-CB 3.74Å; F181-A197 HydrophobicContact CE1-CB 3.64Å
182F90.9Very high87.6Confident26 Ų2660.4 Ų60.411%0.11434%0.343CS..Hα-helixtrans-65.4-19.8179.6-72.1-60.4000113.3L178 L179 T194 A197 V217 C220L178-F182 HydrophobicContact CB-CD2 4.42Å; L178-F182 HydrophobicContact CB-CE2 4.32Å; L178-F182 HydrophobicContact CD2-CE2 4.25Å; L178-F182 WeakPolarHBondContact O-CD2 3.33Å; L178-F182 PolarHBondContact O-N 3.02Å; L179-F182 PolarHBondContact O-N 3.22Å; F182-T194 HydrophobicContact CE1-CG2 4.16Å; F182-A197 HydrophobicContact CZ-CB 4.15Å; F182-V217 HydrophobicContact CE2-CG1 4.48Å; F182-C220 HydrophobicContact CB-CB 3.79Å; F182-C220 HydrophobicContact CD1-CB 4.21Å; F182-C220 HydrophobicContact CD2-CB 3.61Å; F182-C220 HydrophobicContact CE2-CB 4.23Å; F182-C220 HydrophobicContact CG-CB 3.62Å
183S89.1Confident87.5Confident90 Ų9057.3 Ų57.363%0.62932%0.322SS*.Hα-helixtrans-80.3-13.717477.60000114.3L179 E180 F181L179-S183 WeakPolarHBondContact O-CB 3.4Å; L179-S183 PolarHBondContact O-N 3.48Å; L179-S183 PolarHBondContact O-OG 3.44Å; E180-S183 PolarHBondContact O-N 3.12Å; E180-S183 PolarHBondContact O-OG 3.28Å; F181-S183 PolarHBondContact O-N 3.34Å
184L87.1Confident87.6Confident96 Ų9653.7 Ų53.750%0.50331%0.308SS..SBendtrans-69.2132.5-179.3-69171.5000111E180 F181 G186 A187E180-L184 PolarHBondContact O-N 2.84Å; F181-L184 HydrophobicContact CD2-CD1 4.37Å; F181-L184 WeakPolarHBondContact O-CB 3.49Å; F181-L184 PolarHBondContact O-N 3.48Å; L184-G186 PolarHBondContact O-N 3.37Å; L184-G186 VanDerWaalsContact O-N 3.16Å; L184-A187 HydrophobicContact CB-CB 4.25Å; L184-A187 WeakPolarHBondContact O-CB 3.5Å; L184-A187 PolarHBondContact O-N 2.97Å; L184-A187 VanDerWaalsContact O-N 3.13Å
185P79.5Confident87.5Confident135 Ų13557.4 Ų57.488%0.87733%0.325SS*.THydrogen-bonded Turntrans-58.2121.1174.5-21.832000111
186G78.6Confident87.4Confident55 Ų5557.5 Ų57.557%0.56733%0.325SS*.THydrogen-bonded Turntrans88.31.2178.800000115.6L184 I188 G189 E190L184-G186 PolarHBondContact O-N 3.37Å; L184-G186 VanDerWaalsContact O-N 3.16Å; G186-I188 PolarHBondContact O-N 3.26Å; G186-I188 VanDerWaalsContact O-N 3.13Å; G186-G189 WeakPolarHBondContact O-CA 3.28Å; G186-G189 PolarHBondContact O-N 3.36Å; G186-E190 PolarHBondContact O-N 3.32Å
187A76.1Confident87.5Confident5 Ų551.7 Ų51.74%0.04130%0.3CS..G310 helixtrans-53-36.5179.300000113.6F181 L184 G189 E190 T194F181-A187 HydrophobicContact CE1-CB 4.36Å; F181-A187 HydrophobicContact CE2-CB 4.21Å; F181-A187 HydrophobicContact CZ-CB 4.08Å; F181-A187 VanDerWaalsContact O-CB 3.28Å; F181-A187 WeakPolarHBondContact O-CB 3.42Å; L184-A187 HydrophobicContact CB-CB 4.25Å; L184-A187 WeakPolarHBondContact O-CB 3.5Å; L184-A187 PolarHBondContact O-N 2.97Å; L184-A187 VanDerWaalsContact O-N 3.13Å; A187-G189 PolarHBondContact O-N 3.29Å; A187-E190 PolarHBondContact O-N 3.32Å; A187-T194 PolarHBondContact O-OG1 3.16Å
188I67.6Low87.6Confident66 Ų6651.1 Ų51.134%0.33830%0.297SS..G310 helixtrans-68.6-24.6178-57.2173.7000111.8G186 N227G186-I188 PolarHBondContact O-N 3.26Å; G186-I188 VanDerWaalsContact O-N 3.13Å; I188-N227 PolarHBondContact O-ND2 3.26Å
189G72.7Confident87.7Confident62 Ų6253.5 Ų53.564%0.63931%0.31SS*.G310 helixtrans-75.2-26.7175.400000113.3G186 A187 T191G186-G189 WeakPolarHBondContact O-CA 3.28Å; G186-G189 PolarHBondContact O-N 3.36Å; A187-G189 PolarHBondContact O-N 3.29Å; G189-T191 PolarHBondContact O-N 3.23Å
190E84.3Confident87.8Confident113 Ų11350.6 Ų50.653%0.52830%0.295SS..  trans-81.465.7178-65.9-167.7175.400112G186 A187 Y192 V193 T194G186-E190 PolarHBondContact O-N 3.32Å; A187-E190 PolarHBondContact O-N 3.32Å; E190-Y192 PolarHBondContact O-N 2.93Å; E190-V193 HydrophobicContact CB-CB 4.32Å; E190-V193 HydrophobicContact CB-CG2 4.38Å; E190-V193 PolarHBondContact O-N 2.87Å; E190-T194 PolarHBondContact O-N 2.85Å; E190-T194 PolarHBondContact O-OG1 2.97Å
191T89.4Confident88Confident31 Ų3145.6 Ų45.619%0.1927%0.271CS..Hα-helixtrans-45.2-45.1-170.8-54.50000113.4G189 T194 E195 N227 R229 L230G189-T191 PolarHBondContact O-N 3.23Å; T191-T194 PolarHBondContact O-N 3.12Å; T191-E195 WeakPolarHBondContact O-CB 3.28Å; T191-E195 PolarHBondContact O-N 3.42Å; T191-N227 PolarHBondContact OG1-ND2 3.27Å; T191-R229 HydrophobicContact CG2-CB 3.7Å; T191-L230 HydrophobicContact CG2-CD2 3.72Å; T191-L230 HydrophobicContact CG2-CG 4.18Å; T191-L230 WeakPolarHBondContact O-CD2 3.45Å
192Y89.9Confident88.2Confident107 Ų10745.7 Ų45.742%0.4227%0.273SS..Hα-helixtrans-61.3-46.4179.7176.9-104.7000112.9Q98 A137 E190 E195 K196Q98-Y192 PolarHBondContact NE2-OH 2.85Å; A137-Y192 HydrophobicContact CB-CE1 4.01Å; E190-Y192 PolarHBondContact O-N 2.93Å; Y192-E195 PolarHBondContact O-N 3.29Å; Y192-K196 WeakPolarHBondContact O-CG 3.14Å; Y192-K196 PolarHBondContact O-N 2.92Å
193V90.9Very high88.5Confident19 Ų1946.6 Ų46.612%0.11528%0.277CS..Hα-helixtrans-73-37.5-178.8-172.40000110.3I136 A137 F140 F181 E190 E195 K196 A197I136-V193 HydrophobicContact CG2-CG1 3.67Å; A137-V193 HydrophobicContact CB-CG1 4.46Å; A137-V193 HydrophobicContact CB-CG2 4.45Å; F140-V193 HydrophobicContact CD2-CG1 4.42Å; F140-V193 HydrophobicContact CE2-CG1 4.31Å; F181-V193 HydrophobicContact CD2-CG1 4.3Å; F181-V193 HydrophobicContact CE2-CB 4.16Å; F181-V193 HydrophobicContact CE2-CG1 3.45Å; F181-V193 VanDerWaalsContact CE2-CG1 3.45Å; F181-V193 HydrophobicContact CZ-CB 4.07Å; F181-V193 HydrophobicContact CZ-CG1 3.68Å; E190-V193 HydrophobicContact CB-CB 4.32Å; E190-V193 HydrophobicContact CB-CG2 4.38Å; E190-V193 PolarHBondContact O-N 2.87Å; V193-E195 VanDerWaalsContact C-N 3.31Å; V193-E195 PolarHBondContact O-N 3.23Å; V193-K196 PolarHBondContact O-N 3.32Å; V193-A197 PolarHBondContact O-N 3.09Å
194T93.3Very high88.8Confident0 Ų042.3 Ų42.30%025%0.247CC..Hα-helixtrans-61.4-40.4174.8-36.20000111.7F181 F182 A187 E190 T191 K196 A197 L198 C224 L230F181-T194 HydrophobicContact CE1-CG2 4.49Å; F182-T194 HydrophobicContact CE1-CG2 4.16Å; A187-T194 PolarHBondContact O-OG1 3.16Å; E190-T194 PolarHBondContact O-N 2.85Å; E190-T194 PolarHBondContact O-OG1 2.97Å; T191-T194 PolarHBondContact O-N 3.12Å; T194-K196 VanDerWaalsContact C-N 3.35Å; T194-K196 PolarHBondContact O-N 3.45Å; T194-A197 PolarHBondContact O-N 3.33Å; T194-L198 HydrophobicContact CG2-CD1 4.47Å; T194-L198 WeakPolarHBondContact O-CG 3.28Å; T194-L198 PolarHBondContact O-N 2.96Å; T194-C224 HydrophobicContact CG2-CB 4.47Å; T194-L230 HydrophobicContact CG2-CD1 3.56Å
195E93.8Very high89.2Confident79 Ų7937.8 Ų37.837%0.36922%0.223SC..Hα-helixtrans-59.6-45.2174.5-172-173.8166.600111.2T191 Y192 V193 A197 L198 N199 L230 A233T191-E195 WeakPolarHBondContact O-CB 3.28Å; T191-E195 PolarHBondContact O-N 3.42Å; Y192-E195 PolarHBondContact O-N 3.29Å; V193-E195 VanDerWaalsContact C-N 3.31Å; V193-E195 PolarHBondContact O-N 3.23Å; E195-A197 PolarHBondContact O-N 2.89Å; E195-L198 PolarHBondContact O-N 3.48Å; E195-N199 VanDerWaalsContact O-CG 3.27Å; E195-N199 PolarHBondContact O-N 3.31Å; E195-N199 PolarHBondContact O-ND2 2.99Å; E195-L230 HydrophobicContact CB-CD2 4.03Å; E195-A233 HydrophobicContact CG-CB 4.14Å
196K93.2Very high89.9Confident18 Ų1836.5 Ų36.58%0.07821%0.206CC..Hα-helixtrans-62.5-40.6175-60.5-43-162.1137.90112.7A137 F140 D141 Y192 V193 T194 N199 C200A137-K196 HydrophobicContact CB-CG 4.16Å; F140-K196 HydrophobicContact CB-CB 4.01Å; D141-K196 VanDerWaalsContact OD1-CD 3.32Å; D141-K196 WeakPolarHBondContact OD1-CD 3.44Å; D141-K196 WeakPolarHBondContact OD1-CE 3.21Å; D141-K196 IonicContact OD1-NZ 3.95Å; D141-K196 PolarHBondContact OD1-NZ 3.45Å; D141-K196 WeakPolarHBondContact OD2-CE 3.32Å; D141-K196 IonicContact OD2-NZ 2.83Å; D141-K196 PolarHBondContact OD2-NZ 3.09Å; Y192-K196 WeakPolarHBondContact O-CG 3.14Å; Y192-K196 PolarHBondContact O-N 2.92Å; V193-K196 PolarHBondContact O-N 3.32Å; T194-K196 VanDerWaalsContact C-N 3.35Å; T194-K196 PolarHBondContact O-N 3.45Å; K196-N199 PolarHBondContact O-N 2.93Å; K196-C200 WeakPolarHBondContact O-CB 3.46Å; K196-C200 PolarHBondContact O-N 3.32Å
197A94.9Very high90.5Very high0 Ų034.3 Ų34.30%018%0.181CC..Hα-helixtrans-63.7-40.7175.700000112.1F140 L178 F181 F182 V193 T194 E195 C200 A201F140-A197 HydrophobicContact CD2-CB 4.06Å; F140-A197 HydrophobicContact CE1-CB 4.33Å; F140-A197 HydrophobicContact CE2-CB 3.81Å; F140-A197 HydrophobicContact CG-CB 4.44Å; F140-A197 HydrophobicContact CZ-CB 3.97Å; L178-A197 HydrophobicContact CD2-CB 3.96Å; L178-A197 WeakPolarHBondContact CD2-O 3.37Å; F181-A197 HydrophobicContact CD1-CB 3.74Å; F181-A197 HydrophobicContact CE1-CB 3.64Å; F182-A197 HydrophobicContact CZ-CB 4.15Å; V193-A197 PolarHBondContact O-N 3.09Å; T194-A197 PolarHBondContact O-N 3.33Å; E195-A197 PolarHBondContact O-N 2.89Å; A197-C200 PolarHBondContact O-N 3.35Å; A197-A201 PolarHBondContact O-N 3.42Å
198L95.9Very high91.2Very high0 Ų034.3 Ų34.30%018%0.18CC..Hα-helixtrans-65.3-43175.6-74.4167.6000112T194 E195 C200 A201 T202 C221 L230 A233 I234T194-L198 HydrophobicContact CG2-CD1 4.47Å; T194-L198 WeakPolarHBondContact O-CG 3.28Å; T194-L198 PolarHBondContact O-N 2.96Å; E195-L198 PolarHBondContact O-N 3.48Å; L198-C200 VanDerWaalsContact C-N 3.35Å; L198-A201 PolarHBondContact O-N 3.26Å; L198-T202 WeakPolarHBondContact O-CB 3.22Å; L198-T202 PolarHBondContact O-N 3.35Å; L198-T202 PolarHBondContact O-OG1 3.47Å; L198-C221 HydrophobicContact CD2-CB 3.6Å; L198-L230 HydrophobicContact CD1-CB 4.21Å; L198-L230 HydrophobicContact CD1-CD1 4.41Å; L198-L230 HydrophobicContact CD1-CD2 4.35Å; L198-A233 HydrophobicContact CB-CB 4.16Å; L198-A233 HydrophobicContact CD1-CB 3.94Å; L198-I234 HydrophobicContact CD1-CG1 3.88Å; L198-I234 HydrophobicContact CD2-CG1 4.39Å
199N95.6Very high92.1Very high51 Ų5134.3 Ų34.327%0.27318%0.183SC..Hα-helixtrans-63.2-43176-67.4-16.3000110.9E195 K196 A201 T202 E203E195-N199 VanDerWaalsContact O-CG 3.27Å; E195-N199 PolarHBondContact O-N 3.31Å; E195-N199 PolarHBondContact O-ND2 2.99Å; K196-N199 PolarHBondContact O-N 2.93Å; N199-A201 PolarHBondContact O-N 2.87Å; N199-T202 WeakPolarHBondContact O-CB 3.5Å; N199-T202 PolarHBondContact O-N 3.46Å; N199-T202 VanDerWaalsContact O-N 3.16Å; N199-E203 PolarHBondContact O-N 3.18Å
200C96.3Very high92.9Very high0 Ų034.8 Ų34.80%017%0.171CC..Hα-helixtrans-58.4-48172.4-178.40000111.9F140 A144 K196 A197 L198 T202 E203 W204F140-C200 HydrophobicContact CB-CB 4.15Å; F140-C200 HydrophobicContact CD1-CB 4.04Å; F140-C200 HydrophobicContact CG-CB 4.47Å; A144-C200 HydrophobicContact CB-CB 4.1Å; K196-C200 WeakPolarHBondContact O-CB 3.46Å; K196-C200 PolarHBondContact O-N 3.32Å; A197-C200 PolarHBondContact O-N 3.35Å; L198-C200 VanDerWaalsContact C-N 3.35Å; C200-T202 VanDerWaalsContact C-N 3.27Å; C200-T202 PolarHBondContact O-N 3.15Å; C200-E203 PolarHBondContact O-N 2.84Å; C200-W204 VanDerWaalsContact O-CD1 3.23Å; C200-W204 PolarHBondContact O-N 2.88Å
201A96.9Very high93.2Very high0 Ų029.5 Ų29.50%015%0.146CC..Hα-helixtrans-59.7-38.5175.700000112.3L178 A197 L198 N199 V205 W214 V217 F237L178-A201 HydrophobicContact CD1-CB 4.08Å; A197-A201 PolarHBondContact O-N 3.42Å; L198-A201 PolarHBondContact O-N 3.26Å; N199-A201 PolarHBondContact O-N 2.87Å; A201-V205 WeakPolarHBondContact O-CB 3.48Å; A201-V205 VanDerWaalsContact O-CG2 3.26Å; A201-V205 WeakPolarHBondContact O-CG2 3.44Å; A201-V205 PolarHBondContact O-N 3.29Å; A201-W214 HydrophobicContact CB-CZ3 4.3Å; A201-V217 HydrophobicContact CB-CG1 4.25Å; A201-F237 HydrophobicContact CB-CD2 4.11Å; A201-F237 HydrophobicContact CB-CE2 3.81Å
202T97.1Very high93.3Very high7 Ų733.9 Ų33.94%0.04317%0.165CC..Hα-helixtrans-60.3-54.2178.8-58.10000111.4L198 N199 C200 W204 V205 Q206 F237 V240L198-T202 WeakPolarHBondContact O-CB 3.22Å; L198-T202 PolarHBondContact O-N 3.35Å; L198-T202 PolarHBondContact O-OG1 3.47Å; N199-T202 WeakPolarHBondContact O-CB 3.5Å; N199-T202 PolarHBondContact O-N 3.46Å; N199-T202 VanDerWaalsContact O-N 3.16Å; C200-T202 VanDerWaalsContact C-N 3.27Å; C200-T202 PolarHBondContact O-N 3.15Å; T202-W204 VanDerWaalsContact C-N 3.31Å; T202-W204 PolarHBondContact O-N 3.49Å; T202-V205 PolarHBondContact O-N 2.84Å; T202-Q206 PolarHBondContact O-N 3.07Å; T202-F237 VanDerWaalsContact OG1-CA 3.3Å; T202-F237 WeakPolarHBondContact OG1-CA 3.35Å; T202-F237 VanDerWaalsContact OG1-CB 3.32Å; T202-F237 WeakPolarHBondContact OG1-CB 3.39Å; T202-V240 HydrophobicContact CG2-CB 4.07Å; T202-V240 HydrophobicContact CG2-CG1 4.47Å; T202-V240 HydrophobicContact CG2-CG2 3.64Å
203E96Very high93.4Very high45 Ų4530.8 Ų30.821%0.2116%0.162CC..Hα-helixtrans-63.3-36.8-177.7-65.7-56.9144.800112.4A144 P147 N199 C200 F207A144-E203 HydrophobicContact CB-CB 4.46Å; A144-E203 HydrophobicContact CB-CG 4.13Å; A144-E203 WeakPolarHBondContact O-CB 3.32Å; P147-E203 HydrophobicContact CG-CB 3.84Å; N199-E203 PolarHBondContact O-N 3.18Å; C200-E203 PolarHBondContact O-N 2.84Å; E203-F207 WeakPolarHBondContact O-CB 3.48Å; E203-F207 PolarHBondContact O-N 3.39Å
204W96.3Very high93.5Very high0 Ų029.9 Ų29.90%016%0.156CC..Hα-helixtrans-76.7-35.8178.4-80.189000113.8A143 P147 L167 M170 E171 V174 C200 T202 Q206 F207 T208 W214A143-W204 PolarHBondContact O-NE1 2.83Å; P147-W204 HydrophobicContact CG-CD2 4.3Å; P147-W204 HydrophobicContact CG-CG 4.32Å; L167-W204 HydrophobicContact CB-CH2 4.46Å; L167-W204 HydrophobicContact CD2-CH2 4.44Å; L167-W204 WeakPolarHBondContact O-CH2 3.31Å; L167-W204 WeakPolarHBondContact O-CZ3 3.46Å; M170-W204 HydrophobicContact CB-CH2 4.15Å; E171-W204 HydrophobicContact CB-CE3 4.29Å; E171-W204 HydrophobicContact CB-CZ3 4.01Å; E171-W204 HydrophobicContact CG-CE3 4.4Å; V174-W204 HydrophobicContact CB-CD2 4.43Å; V174-W204 HydrophobicContact CG1-CD2 4.21Å; V174-W204 HydrophobicContact CG1-CG 4.01Å; V174-W204 HydrophobicContact CG2-CD2 4.29Å; V174-W204 HydrophobicContact CG2-CH2 4.26Å; V174-W204 HydrophobicContact CG2-CZ2 3.73Å; C200-W204 VanDerWaalsContact O-CD1 3.23Å; C200-W204 PolarHBondContact O-N 2.88Å; T202-W204 VanDerWaalsContact C-N 3.31Å; T202-W204 PolarHBondContact O-N 3.49Å; W204-Q206 VanDerWaalsContact C-N 3.27Å; W204-Q206 PolarHBondContact O-N 2.99Å; W204-F207 HydrophobicContact CE3-CD1 4.31Å; W204-F207 HydrophobicContact CZ3-CD1 4.26Å; W204-F207 HydrophobicContact CZ3-CE1 4.48Å; W204-F207 PolarHBondContact O-N 3.27Å; W204-F207 VanDerWaalsContact O-N 3.12Å; W204-T208 WeakPolarHBondContact O-CB 3.4Å; W204-T208 PolarHBondContact O-N 3.18Å; W204-W214 HydrophobicContact CB-CH2 3.25Å; W204-W214 HydrophobicContact CB-CZ2 3.49Å; W204-W214 VanDerWaalsContact CB-CZ2 3.49Å; W204-W214 HydrophobicContact CB-CZ3 4.15Å; W204-W214 HydrophobicContact CG-CH2 4.03Å; W204-W214 HydrophobicContact CG-CZ2 4.29Å
205V95.1Very high93.5Very high0 Ų032.4 Ų32.40%017%0.169CC..Hα-helixtrans-64.8-34.9172.3168.50000110.7A201 T202 F207 L211 W214 F237 V240 L241 H244A201-V205 WeakPolarHBondContact O-CB 3.48Å; A201-V205 VanDerWaalsContact O-CG2 3.26Å; A201-V205 WeakPolarHBondContact O-CG2 3.44Å; A201-V205 PolarHBondContact O-N 3.29Å; T202-V205 PolarHBondContact O-N 2.84Å; V205-F207 VanDerWaalsContact C-N 3.28Å; V205-F207 PolarHBondContact O-N 2.87Å; V205-L211 HydrophobicContact CG1-CD1 4.21Å; V205-W214 HydrophobicContact CG2-CB 4.45Å; V205-W214 HydrophobicContact CG2-CD2 3.78Å; V205-W214 HydrophobicContact CG2-CE3 3.51Å; V205-W214 HydrophobicContact CG2-CG 4.18Å; V205-W214 HydrophobicContact CG2-CZ3 4.12Å; V205-F237 HydrophobicContact CB-CE2 4.39Å; V205-F237 HydrophobicContact CG2-CE2 3.82Å; V205-F237 HydrophobicContact CG2-CZ 4.4Å; V205-V240 HydrophobicContact CG1-CG1 4.26Å; V205-L241 HydrophobicContact CG1-CB 4.41Å; V205-L241 HydrophobicContact CG1-CD1 4.06Å; V205-H244 PolarHBondContact O-CD2 3.47Å
206Q93.2Very high93.4Very high108 Ų10832.3 Ų32.351%0.50517%0.174SC..Hα-helixtrans-63.9-34.5172.2-171.8169.2-33.900112.5T202 W204 V240T202-Q206 PolarHBondContact O-N 3.07Å; W204-Q206 VanDerWaalsContact C-N 3.27Å; W204-Q206 PolarHBondContact O-N 2.99Å; Q206-V240 HydrophobicContact CB-CG1 3.63Å; Q206-V240 HydrophobicContact CG-CG1 4.33Å
207F91.9Very high93.5Very high10 Ų1031.5 Ų31.54%0.04417%0.17CC..Hα-helixtrans-88.1-33.6-173.1-177.9-99.2000114.6P147 F150 R164 L167 L168 E203 W204 V205P147-F207 HydrophobicContact CB-CB 3.62Å; P147-F207 HydrophobicContact CB-CD1 4.33Å; P147-F207 HydrophobicContact CB-CD2 3.74Å; P147-F207 HydrophobicContact CB-CE2 4.46Å; P147-F207 HydrophobicContact CB-CG 3.65Å; F150-F207 HydrophobicContact CD1-CD2 4.48Å; F150-F207 AromaticContact CD1-CE2 3.58Å; F150-F207 HydrophobicContact CD1-CE2 3.58Å; F150-F207 HydrophobicContact CD1-CZ 4.4Å; F150-F207 AromaticContact CE1-CE2 3.96Å; F150-F207 HydrophobicContact CE1-CE2 3.96Å; F150-F207 HydrophobicContact CG-CE2 4.23Å; R164-F207 HydrophobicContact CG-CZ 3.94Å; R164-F207 PolarHBondContact NH2-O 3.33Å; L167-F207 HydrophobicContact CB-CE1 3.85Å; L167-F207 HydrophobicContact CB-CZ 3.85Å; L167-F207 HydrophobicContact CD1-CE1 4.44Å; L167-F207 HydrophobicContact CD1-CE2 4.25Å; L167-F207 HydrophobicContact CD1-CZ 3.75Å; L167-F207 HydrophobicContact CG-CZ 4.49Å; L168-F207 HydrophobicContact CD2-CD1 4.09Å; L168-F207 HydrophobicContact CD2-CE1 3.71Å; L168-F207 HydrophobicContact CG-CE1 4.01Å; E203-F207 WeakPolarHBondContact O-CB 3.48Å; E203-F207 PolarHBondContact O-N 3.39Å; W204-F207 HydrophobicContact CE3-CD1 4.31Å; W204-F207 HydrophobicContact CZ3-CD1 4.26Å; W204-F207 HydrophobicContact CZ3-CE1 4.48Å; W204-F207 PolarHBondContact O-N 3.27Å; W204-F207 VanDerWaalsContact O-N 3.12Å; V205-F207 VanDerWaalsContact C-N 3.28Å; V205-F207 PolarHBondContact O-N 2.87Å
208T91.7Very high93.4Very high5 Ų531.5 Ų31.53%0.03117%0.17CC..  trans-63.9159.2-172.8-175.70000112.6E171 W204 N210 H244E171-T208 VanDerWaalsContact CD-OG1 3.25Å; E171-T208 WeakPolarHBondContact OE1-CB 3.39Å; E171-T208 PolarHBondContact OE1-OG1 2.99Å; E171-T208 PolarHBondContact OE2-OG1 2.61Å; W204-T208 WeakPolarHBondContact O-CB 3.4Å; W204-T208 PolarHBondContact O-N 3.18Å; T208-N210 PolarHBondContact OG1-N 2.75Å; T208-H244 PolarHBondContact O-NE2 3.36Å
209T86.3Confident93.3Very high65 Ų6536.2 Ų36.240%0.39919%0.192SC..SBendtrans-113.1-4.7167.663.30000112.9K246T209-K246 WeakPolarHBondContact O-CD 3.11Å; T209-K246 WeakPolarHBondContact O-CE 3.11Å; T209-K246 PolarHBondContact O-NZ 3.32Å
210N89.5Confident93.1Very high73 Ų7335.1 Ų35.139%0.3919%0.188SC..  trans-117.573.9-175.4-176.412.9000110.7T208 E212 A213T208-N210 PolarHBondContact OG1-N 2.75Å; N210-E212 PolarHBondContact O-N 3.03Å; N210-A213 PolarHBondContact O-N 2.79Å
211L90.9Very high92.9Very high1 Ų135.1 Ų35.11%0.00519%0.189CC..G310 helixtrans-61.9-26.4-177-168.662.2000113.1V205 A213 W214 I218 L241 L247 Y250 L253V205-L211 HydrophobicContact CG1-CD1 4.21Å; L211-A213 VanDerWaalsContact C-N 3.3Å; L211-A213 PolarHBondContact O-N 3.26Å; L211-W214 PolarHBondContact O-N 2.89Å; L211-W214 VanDerWaalsContact O-N 3.09Å; L211-I218 HydrophobicContact CD1-CD1 4.22Å; L211-L241 HydrophobicContact CD1-CD1 3.68Å; L211-L241 HydrophobicContact CD2-CD1 4.22Å; L211-L241 HydrophobicContact CG-CD1 4.45Å; L211-L247 HydrophobicContact CD2-CB 4.42Å; L211-L247 HydrophobicContact CD2-CD1 3.98Å; L211-Y250 HydrophobicContact CB-CD2 4.48Å; L211-Y250 HydrophobicContact CB-CE2 4.07Å; L211-Y250 HydrophobicContact CD2-CD2 4.19Å; L211-L253 HydrophobicContact CD2-CD2 3.65Å; L211-L253 HydrophobicContact CG-CD2 3.93Å
212E90Very high92.6Very high123 Ų12335.7 Ų35.758%0.57519%0.191SC*.G310 helixtrans-61.4-37179.2-169.6175.5175.400112.7N210 W214 I215 Y250N210-E212 PolarHBondContact O-N 3.03Å; E212-W214 PolarHBondContact O-N 2.98Å; E212-I215 HydrophobicContact CG-CD1 4.11Å; E212-I215 WeakPolarHBondContact O-CD1 3.49Å; E212-I215 WeakPolarHBondContact O-CG1 3.43Å; E212-I215 PolarHBondContact O-N 3.36Å; E212-Y250 HydrophobicContact CB-CE1 3.96Å; E212-Y250 HydrophobicContact CG-CE1 4.44Å
213A92.1Very high92.1Very high43 Ų4338 Ų3836%0.35521%0.208SC..G310 helixtrans-66.8-19177.600000113.3L175 N210 L211L175-A213 HydrophobicContact CD1-CB 3.82Å; N210-A213 PolarHBondContact O-N 2.79Å; L211-A213 VanDerWaalsContact C-N 3.3Å; L211-A213 PolarHBondContact O-N 3.26Å
214W94.3Very high91.7Very high0 Ų035.9 Ų35.90%020%0.198CC..G310 helixtrans-92.3-6.1-176.7-73.378.6000114E171 V174 L175 L178 A201 W204 V205 L211 E212 T216 V217 I218E171-W214 HydrophobicContact CG-CZ2 4.05Å; E171-W214 PolarHBondContact OE1-NE1 2.99Å; V174-W214 HydrophobicContact CG1-CH2 4.23Å; L175-W214 HydrophobicContact CD2-CB 4.47Å; L175-W214 HydrophobicContact CD2-CD2 3.38Å; L175-W214 HydrophobicContact CD2-CE3 3.59Å; L175-W214 HydrophobicContact CD2-CG 3.82Å; L175-W214 HydrophobicContact CD2-CH2 3.99Å; L175-W214 HydrophobicContact CD2-CZ2 3.81Å; L175-W214 HydrophobicContact CD2-CZ3 3.9Å; L175-W214 HydrophobicContact CG-CD2 4.28Å; L175-W214 HydrophobicContact CG-CH2 4.31Å; L175-W214 HydrophobicContact CG-CZ2 3.89Å; L178-W214 HydrophobicContact CD1-CH2 4.01Å; L178-W214 HydrophobicContact CD1-CZ3 3.72Å; A201-W214 HydrophobicContact CB-CZ3 4.3Å; W204-W214 HydrophobicContact CB-CH2 3.25Å; W204-W214 HydrophobicContact CB-CZ2 3.49Å; W204-W214 VanDerWaalsContact CB-CZ2 3.49Å; W204-W214 HydrophobicContact CB-CZ3 4.15Å; W204-W214 HydrophobicContact CG-CH2 4.03Å; W204-W214 HydrophobicContact CG-CZ2 4.29Å; V205-W214 HydrophobicContact CG2-CB 4.45Å; V205-W214 HydrophobicContact CG2-CD2 3.78Å; V205-W214 HydrophobicContact CG2-CE3 3.51Å; V205-W214 HydrophobicContact CG2-CG 4.18Å; V205-W214 HydrophobicContact CG2-CZ3 4.12Å; L211-W214 PolarHBondContact O-N 2.89Å; L211-W214 VanDerWaalsContact O-N 3.09Å; E212-W214 PolarHBondContact O-N 2.98Å; W214-T216 VanDerWaalsContact C-N 3.31Å; W214-T216 PolarHBondContact O-N 2.91Å; W214-V217 HydrophobicContact CE3-CB 4.14Å; W214-V217 HydrophobicContact CE3-CG1 4Å; W214-V217 HydrophobicContact CZ3-CG1 4.09Å; W214-V217 PolarHBondContact O-N 2.66Å; W214-I218 HydrophobicContact CB-CD1 4.06Å; W214-I218 HydrophobicContact CB-CG1 4.39Å; W214-I218 VanDerWaalsContact O-CG1 3.31Å; W214-I218 WeakPolarHBondContact O-CG1 3.36Å; W214-I218 PolarHBondContact O-N 2.88Å
215I91.8Very high91Very high53 Ų5336 Ų3627%0.27220%0.198SC..Hα-helixtrans-53.5-45.7-173.5-68.2170.7000112.2E212 I218 Q219E212-I215 HydrophobicContact CG-CD1 4.11Å; E212-I215 WeakPolarHBondContact O-CD1 3.49Å; E212-I215 WeakPolarHBondContact O-CG1 3.43Å; E212-I215 PolarHBondContact O-N 3.36Å; I215-I218 PolarHBondContact O-N 3.32Å; I215-Q219 WeakPolarHBondContact O-CG 3.4Å; I215-Q219 PolarHBondContact O-N 3.4Å
216T92.9Very high90.3Very high76 Ų7642 Ų4247%0.46623%0.231SC..Hα-helixtrans-66.3-40-179.8-45.90000111.9L179 W214 Q219 C220L179-T216 HydrophobicContact CD2-CG2 3.56Å; W214-T216 VanDerWaalsContact C-N 3.31Å; W214-T216 PolarHBondContact O-N 2.91Å; T216-Q219 PolarHBondContact O-N 3.13Å; T216-C220 PolarHBondContact O-N 3.06Å; T216-C220 PolarHBondContact O-SG 3.04Å; T216-C220 VanDerWaalsContact O-SG 3.33Å
217V94.8Very high90Very high1 Ų138.3 Ų38.31%0.00621%0.214CC..Hα-helixtrans-66.2-43176.5174.10000110.4L175 L178 L179 F182 A201 W214 Q219 C220 C221L175-V217 HydrophobicContact CD2-CB 4.39Å; L175-V217 HydrophobicContact CD2-CG2 3.66Å; L178-V217 HydrophobicContact CB-CG1 4.34Å; L178-V217 HydrophobicContact CB-CG2 4.27Å; L178-V217 HydrophobicContact CD1-CG1 4.09Å; L179-V217 HydrophobicContact CD1-CG2 4.47Å; L179-V217 HydrophobicContact CD2-CG2 3.71Å; L179-V217 HydrophobicContact CG-CG2 3.76Å; F182-V217 HydrophobicContact CE2-CG1 4.48Å; A201-V217 HydrophobicContact CB-CG1 4.25Å; W214-V217 HydrophobicContact CE3-CB 4.14Å; W214-V217 HydrophobicContact CE3-CG1 4Å; W214-V217 HydrophobicContact CZ3-CG1 4.09Å; W214-V217 PolarHBondContact O-N 2.66Å; V217-Q219 VanDerWaalsContact C-N 3.27Å; V217-Q219 PolarHBondContact O-N 3.44Å; V217-C220 CarbonylContact O-C 3.6Å; V217-C220 WeakPolarHBondContact O-CA 3.48Å; V217-C220 WeakPolarHBondContact O-CB 3.28Å; V217-C220 PolarHBondContact O-N 3.22Å; V217-C221 PolarHBondContact O-N 3.01Å; V217-C221 PolarHBondContact O-SG 3.17Å
218I93.8Very high89.6Confident0 Ų043.4 Ų43.40%024%0.238CC..Hα-helixtrans-54.9-45.5174.9-68.5161.9000110.4L211 W214 I215 C220 C221 F222 F237 L241 L253L211-I218 HydrophobicContact CD1-CD1 4.22Å; W214-I218 HydrophobicContact CB-CD1 4.06Å; W214-I218 HydrophobicContact CB-CG1 4.39Å; W214-I218 VanDerWaalsContact O-CG1 3.31Å; W214-I218 WeakPolarHBondContact O-CG1 3.36Å; W214-I218 PolarHBondContact O-N 2.88Å; I215-I218 PolarHBondContact O-N 3.32Å; I218-C220 PolarHBondContact O-N 3.13Å; I218-C221 PolarHBondContact O-N 3.35Å; I218-F222 HydrophobicContact CG2-CD2 3.92Å; I218-F222 HydrophobicContact CG2-CE1 4.47Å; I218-F222 HydrophobicContact CG2-CE2 3.44Å; I218-F222 VanDerWaalsContact CG2-CE2 3.44Å; I218-F222 HydrophobicContact CG2-CZ 3.76Å; I218-F222 VanDerWaalsContact O-CG 3.32Å; I218-F222 WeakPolarHBondContact O-CG 3.28Å; I218-F222 PolarHBondContact O-N 2.7Å; I218-F237 HydrophobicContact CB-CZ 4.33Å; I218-F237 HydrophobicContact CG1-CE1 4.34Å; I218-F237 HydrophobicContact CG1-CZ 3.76Å; I218-F237 HydrophobicContact CG2-CE1 4.39Å; I218-L241 HydrophobicContact CD1-CD1 3.82Å; I218-L241 HydrophobicContact CD1-CD2 4.04Å; I218-L241 HydrophobicContact CG1-CD2 4.08Å; I218-L241 HydrophobicContact CG2-CD2 3.72Å; I218-L253 HydrophobicContact CD1-CD1 4.37Å; I218-L253 HydrophobicContact CD1-CD2 4.22Å; I218-L253 HydrophobicContact CG2-CD1 4.39Å
219Q92.1Very high89.5Confident99 Ų9953 Ų5346%0.46327%0.274SS..Hα-helixtrans-62.7-40.6176.5-71.7175-18.500112.6I215 T216 V217 F222 S223 L256I215-Q219 WeakPolarHBondContact O-CG 3.4Å; I215-Q219 PolarHBondContact O-N 3.4Å; T216-Q219 PolarHBondContact O-N 3.13Å; V217-Q219 VanDerWaalsContact C-N 3.27Å; V217-Q219 PolarHBondContact O-N 3.44Å; Q219-F222 PolarHBondContact O-N 3.2Å; Q219-S223 PolarHBondContact O-N 3.43Å; Q219-L256 HydrophobicContact CG-CD2 4.09Å
220C91.8Very high89.7Confident28 Ų2849.9 Ų49.919%0.18926%0.255CS..Hα-helixtrans-65.4-39.7173.9-67.30000112.8F182 T216 V217 I218 F222 S223 C224F182-C220 HydrophobicContact CB-CB 3.79Å; F182-C220 HydrophobicContact CD1-CB 4.21Å; F182-C220 HydrophobicContact CD2-CB 3.61Å; F182-C220 HydrophobicContact CE2-CB 4.23Å; F182-C220 HydrophobicContact CG-CB 3.62Å; T216-C220 PolarHBondContact O-N 3.06Å; T216-C220 PolarHBondContact O-SG 3.04Å; T216-C220 VanDerWaalsContact O-SG 3.33Å; V217-C220 CarbonylContact O-C 3.6Å; V217-C220 WeakPolarHBondContact O-CA 3.48Å; V217-C220 WeakPolarHBondContact O-CB 3.28Å; V217-C220 PolarHBondContact O-N 3.22Å; I218-C220 PolarHBondContact O-N 3.13Å; C220-F222 VanDerWaalsContact C-N 3.29Å; C220-F222 PolarHBondContact O-N 2.86Å; C220-S223 PolarHBondContact O-N 3.02Å; C220-S223 PolarHBondContact O-OG 3.35Å; C220-C224 PolarHBondContact O-SG 3.23Å
221C92.4Very high89.7Confident1 Ų146.8 Ų46.81%0.00724%0.238CC..Hα-helixtrans-62-41.3174.9-64.40000110.6L198 V217 I218 S223 C224 F237L198-C221 HydrophobicContact CD2-CB 3.6Å; V217-C221 PolarHBondContact O-N 3.01Å; V217-C221 PolarHBondContact O-SG 3.17Å; I218-C221 PolarHBondContact O-N 3.35Å; C221-S223 PolarHBondContact O-N 2.96Å; C221-C224 VanDerWaalsContact O-CB 3.27Å; C221-C224 WeakPolarHBondContact O-CB 3.44Å; C221-C224 PolarHBondContact O-N 2.75Å; C221-F237 HydrophobicContact CB-CD1 3.97Å; C221-F237 HydrophobicContact CB-CE1 3.63Å; C221-F237 HydrophobicContact CB-CZ 4.06Å
222F90.7Very high89.8Confident12 Ų1249.2 Ų49.25%0.05326%0.259CS..Hα-helixtrans-71.3-26.4178.1-69.5-10.8000114.1I218 Q219 C220 C224 A225 F237 F238 L241 L257 Y260I218-F222 HydrophobicContact CG2-CD2 3.92Å; I218-F222 HydrophobicContact CG2-CE1 4.47Å; I218-F222 HydrophobicContact CG2-CE2 3.44Å; I218-F222 VanDerWaalsContact CG2-CE2 3.44Å; I218-F222 HydrophobicContact CG2-CZ 3.76Å; I218-F222 VanDerWaalsContact O-CG 3.32Å; I218-F222 WeakPolarHBondContact O-CG 3.28Å; I218-F222 PolarHBondContact O-N 2.7Å; Q219-F222 PolarHBondContact O-N 3.2Å; C220-F222 VanDerWaalsContact C-N 3.29Å; C220-F222 PolarHBondContact O-N 2.86Å; F222-C224 PolarHBondContact O-N 3.17Å; F222-A225 VanDerWaalsContact O-CB 3.27Å; F222-A225 WeakPolarHBondContact O-CB 3.38Å; F222-A225 PolarHBondContact O-N 3.08Å; F222-F237 HydrophobicContact CD1-CE1 4.42Å; F222-F237 AromaticContact CE1-CD1 3.95Å; F222-F237 HydrophobicContact CE1-CD1 3.95Å; F222-F237 AromaticContact CE1-CE1 3.84Å; F222-F237 HydrophobicContact CE1-CE1 3.84Å; F222-F237 HydrophobicContact CZ-CE1 4.35Å; F222-F238 AromaticContact CE1-CD2 3.84Å; F222-F238 HydrophobicContact CE1-CD2 3.84Å; F222-F238 AromaticContact CZ-CD2 3.77Å; F222-F238 HydrophobicContact CZ-CD2 3.77Å; F222-F238 HydrophobicContact CZ-CE2 4.21Å; F222-L241 HydrophobicContact CZ-CD2 3.89Å; F222-L257 HydrophobicContact CE2-CD2 3.52Å; F222-L257 HydrophobicContact CZ-CD2 3.38Å; F222-Y260 HydrophobicContact CB-CD2 3.68Å; F222-Y260 HydrophobicContact CB-CE1 4.47Å; F222-Y260 HydrophobicContact CB-CE2 3.4Å; F222-Y260 HydrophobicContact CB-CG 4.33Å; F222-Y260 AromaticContact CD1-CD1 3.93Å; F222-Y260 HydrophobicContact CD1-CD1 3.93Å; F222-Y260 HydrophobicContact CD1-CD2 4.38Å; F222-Y260 AromaticContact CD1-CE1 3.48Å; F222-Y260 HydrophobicContact CD1-CE1 3.48Å; F222-Y260 VanDerWaalsContact CD1-CE1 3.48Å; F222-Y260 HydrophobicContact CD1-CE2 4.01Å; F222-Y260 HydrophobicContact CD1-CG 4.33Å; F222-Y260 AromaticContact CD1-CZ 3.51Å; F222-Y260 HydrophobicContact CD2-CD1 4.1Å; F222-Y260 HydrophobicContact CD2-CD2 4.01Å; F222-Y260 HydrophobicContact CD2-CE1 4.44Å; F222-Y260 HydrophobicContact CD2-CE2 4.39Å; F222-Y260 AromaticContact CD2-CG 3.84Å; F222-Y260 HydrophobicContact CD2-CG 3.84Å; F222-Y260 AromaticContact CE1-CD1 3.99Å; F222-Y260 HydrophobicContact CE1-CD1 3.99Å; F222-Y260 AromaticContact CE1-CE1 3.73Å; F222-Y260 HydrophobicContact CE1-CE1 3.73Å; F222-Y260 HydrophobicContact CE2-CD1 4.15Å; F222-Y260 HydrophobicContact CE2-CG 4.2Å; F222-Y260 AromaticContact CG-CD1 4Å; F222-Y260 HydrophobicContact CG-CD1 4Å; F222-Y260 AromaticContact CG-CD2 3.77Å; F222-Y260 HydrophobicContact CG-CD2 3.77Å; F222-Y260 AromaticContact CG-CE1 3.88Å; F222-Y260 HydrophobicContact CG-CE1 3.88Å; F222-Y260 AromaticContact CG-CE2 3.69Å; F222-Y260 HydrophobicContact CG-CE2 3.69Å; F222-Y260 AromaticContact CG-CG 3.91Å; F222-Y260 HydrophobicContact CG-CG 3.91Å; F222-Y260 AromaticContact CG-CZ 3.71Å; F222-Y260 HydrophobicContact CZ-CD1 4.1Å; F222-Y260 HydrophobicContact CZ-CE1 4.31Å; F222-Y260 WeakPolarHBondContact O-CE2 3.38Å
223S87.3Confident89.9Confident56 Ų5643.8 Ų43.839%0.39224%0.235SC..Hα-helixtrans-69.8-13.8171.967.40000113.1Q219 C220 C221 A225Q219-S223 PolarHBondContact O-N 3.43Å; C220-S223 PolarHBondContact O-N 3.02Å; C220-S223 PolarHBondContact O-OG 3.35Å; C221-S223 PolarHBondContact O-N 2.96Å; S223-A225 PolarHBondContact O-N 3.13Å
224C87.4Confident90Very high0 Ų041.8 Ų41.80%022%0.218CC..G310 helixtrans-77-4.8174.3-58.20000113.6T194 C220 C221 F222 D226 N227 L230 I234T194-C224 HydrophobicContact CG2-CB 4.47Å; C220-C224 PolarHBondContact O-SG 3.23Å; C221-C224 VanDerWaalsContact O-CB 3.27Å; C221-C224 WeakPolarHBondContact O-CB 3.44Å; C221-C224 PolarHBondContact O-N 2.75Å; F222-C224 PolarHBondContact O-N 3.17Å; C224-D226 PolarHBondContact O-N 2.92Å; C224-D226 VanDerWaalsContact O-N 3.1Å; C224-N227 PolarHBondContact O-N 3.2Å; C224-N227 VanDerWaalsContact O-N 3.11Å; C224-L230 HydrophobicContact CB-CD1 3.99Å; C224-I234 HydrophobicContact CB-CD1 4.14Å
225A82.1Confident90Very high2 Ų242 Ų422%0.01722%0.22CC..G310 helixtrans-57.2-24.8-176.900000115F222 S223 N227 Y260 L264F222-A225 VanDerWaalsContact O-CB 3.27Å; F222-A225 WeakPolarHBondContact O-CB 3.38Å; F222-A225 PolarHBondContact O-N 3.08Å; S223-A225 PolarHBondContact O-N 3.13Å; A225-N227 PolarHBondContact O-N 3.46Å; A225-Y260 HydrophobicContact CB-CE2 4.01Å; A225-Y260 WeakPolarHBondContact CB-OH 3.32Å; A225-L264 HydrophobicContact CB-CD2 3.78Å
226D79.9Confident90.2Very high127 Ų12742.5 Ų42.568%0.67923%0.228SC*.G310 helixtrans-72.5-10.9-177.6-56.2-17.8000111.8C224 K263C224-D226 PolarHBondContact O-N 2.92Å; C224-D226 VanDerWaalsContact O-N 3.1Å; D226-K263 IonicContact OD1-NZ 3.45Å; D226-K263 PolarHBondContact OD1-NZ 2.84Å; D226-K263 VanDerWaalsContact OD1-NZ 3.12Å
227N85.7Confident90.3Very high30 Ų3038.9 Ų38.916%0.1621%0.206CC..  trans-100.4100.8173.5-174.5-10.1000110.8I188 T191 C224 A225 R229 L230I188-N227 PolarHBondContact O-ND2 3.26Å; T191-N227 PolarHBondContact OG1-ND2 3.27Å; C224-N227 PolarHBondContact O-N 3.2Å; C224-N227 VanDerWaalsContact O-N 3.11Å; A225-N227 PolarHBondContact O-N 3.46Å; N227-R229 PolarHBondContact O-N 2.99Å; N227-R229 WeakPolarHBondContact OD1-CB 3.5Å; N227-R229 PolarHBondContact OD1-N 3.45Å; N227-R229 VanDerWaalsContact OD1-N 3.17Å; N227-L230 HydrophobicContact CB-CD1 3.97Å; N227-L230 HydrophobicContact CB-CG 4.17Å; N227-L230 WeakPolarHBondContact O-CB 3.5Å; N227-L230 PolarHBondContact O-N 3Å
228E85Confident90.4Very high117 Ų11738.8 Ų38.855%0.54721%0.206SC..G310 helixtrans-53.8-29.5-179.6-68.2-178.8-177.700113.9L230 I231 F268 T281E228-L230 PolarHBondContact O-N 3.31Å; E228-I231 WeakPolarHBondContact O-CB 3.27Å; E228-I231 VanDerWaalsContact O-CG2 3.23Å; E228-I231 WeakPolarHBondContact O-CG2 3.45Å; E228-I231 PolarHBondContact O-N 3.43Å; E228-F268 HydrophobicContact CG-CE1 3.95Å; E228-F268 HydrophobicContact CG-CZ 4.38Å; E228-T281 HydrophobicContact CB-CG2 3.83Å; E228-T281 HydrophobicContact CG-CG2 3.96Å
229R88.2Confident90.5Very high205 Ų20539.9 Ų39.977%0.77422%0.215SC*.G310 helixtrans-68.3-19.1179.2-62.4-179.2179.6172.90.1113T191 N227T191-R229 HydrophobicContact CG2-CB 3.7Å; N227-R229 PolarHBondContact O-N 2.99Å; N227-R229 WeakPolarHBondContact OD1-CB 3.5Å; N227-R229 PolarHBondContact OD1-N 3.45Å; N227-R229 VanDerWaalsContact OD1-N 3.17Å
230L91.2Very high90.7Very high0 Ų036.5 Ų36.50%020%0.201CC..G310 helixtrans-92.6-3178.6-61.8178.2000112.9T191 T194 E195 L198 C224 N227 E228 A232 A233 I234T191-L230 HydrophobicContact CG2-CD2 3.72Å; T191-L230 HydrophobicContact CG2-CG 4.18Å; T191-L230 WeakPolarHBondContact O-CD2 3.45Å; T194-L230 HydrophobicContact CG2-CD1 3.56Å; E195-L230 HydrophobicContact CB-CD2 4.03Å; L198-L230 HydrophobicContact CD1-CB 4.21Å; L198-L230 HydrophobicContact CD1-CD1 4.41Å; L198-L230 HydrophobicContact CD1-CD2 4.35Å; C224-L230 HydrophobicContact CB-CD1 3.99Å; N227-L230 HydrophobicContact CB-CD1 3.97Å; N227-L230 HydrophobicContact CB-CG 4.17Å; N227-L230 WeakPolarHBondContact O-CB 3.5Å; N227-L230 PolarHBondContact O-N 3Å; E228-L230 PolarHBondContact O-N 3.31Å; L230-A232 VanDerWaalsContact C-N 3.3Å; L230-A232 PolarHBondContact O-N 3.1Å; L230-A233 PolarHBondContact O-N 3.39Å; L230-A233 VanDerWaalsContact O-N 3.13Å; L230-I234 HydrophobicContact CB-CD1 4.01Å; L230-I234 HydrophobicContact CB-CG1 4.37Å; L230-I234 VanDerWaalsContact O-CG1 3.32Å; L230-I234 WeakPolarHBondContact O-CG1 3.35Å; L230-I234 PolarHBondContact O-N 3.03Å
231I90.6Very high90.9Very high9 Ų935.1 Ų35.15%0.04619%0.192CC..Hα-helixtrans-59.8-36.7-169.8-161.864.5000113.3E228 I234 G235 F268 T281 E284 M288E228-I231 WeakPolarHBondContact O-CB 3.27Å; E228-I231 VanDerWaalsContact O-CG2 3.23Å; E228-I231 WeakPolarHBondContact O-CG2 3.45Å; E228-I231 PolarHBondContact O-N 3.43Å; I231-I234 PolarHBondContact O-N 3.2Å; I231-G235 PolarHBondContact O-N 3.35Å; I231-F268 HydrophobicContact CD1-CE2 4.14Å; I231-T281 HydrophobicContact CG2-CG2 4.11Å; I231-E284 HydrophobicContact CG1-CB 4.01Å; I231-E284 HydrophobicContact CG2-CB 4.41Å; I231-E284 HydrophobicContact CG2-CG 4.38Å; I231-M288 HydrophobicContact CD1-CE 3.75Å; I231-M288 HydrophobicContact CG1-CE 4.14Å
232A91.5Very high91.1Very high52 Ų5235.1 Ų35.143%0.4319%0.191SC..Hα-helixtrans-69.7-39.6178.700000112.4L230 G235 S236L230-A232 VanDerWaalsContact C-N 3.3Å; L230-A232 PolarHBondContact O-N 3.1Å; A232-G235 PolarHBondContact O-N 2.9Å; A232-S236 PolarHBondContact O-N 2.92Å; A232-S236 PolarHBondContact O-OG 3.43Å
233A93.3Very high91.3Very high9 Ų940.8 Ų40.87%0.07422%0.216CC..Hα-helixtrans-67.7-41.1175.100000111E195 L198 L230 S236 F237E195-A233 HydrophobicContact CG-CB 4.14Å; L198-A233 HydrophobicContact CB-CB 4.16Å; L198-A233 HydrophobicContact CD1-CB 3.94Å; L230-A233 PolarHBondContact O-N 3.39Å; L230-A233 VanDerWaalsContact O-N 3.13Å; A233-S236 PolarHBondContact O-N 3.39Å; A233-F237 WeakPolarHBondContact O-CB 3.36Å; A233-F237 PolarHBondContact O-N 3.1Å
234I94Very high91.6Very high0 Ų038.5 Ų38.50%020%0.199CC..Hα-helixtrans-62.3-43.2172.9-67.2170.4000110.7L198 C224 L230 I231 S236 F237 F238 Y260 M288L198-I234 HydrophobicContact CD1-CG1 3.88Å; L198-I234 HydrophobicContact CD2-CG1 4.39Å; C224-I234 HydrophobicContact CB-CD1 4.14Å; L230-I234 HydrophobicContact CB-CD1 4.01Å; L230-I234 HydrophobicContact CB-CG1 4.37Å; L230-I234 VanDerWaalsContact O-CG1 3.32Å; L230-I234 WeakPolarHBondContact O-CG1 3.35Å; L230-I234 PolarHBondContact O-N 3.03Å; I231-I234 PolarHBondContact O-N 3.2Å; I234-S236 VanDerWaalsContact C-N 3.35Å; I234-S236 PolarHBondContact O-N 2.82Å; I234-F237 WeakPolarHBondContact O-CB 3.45Å; I234-F237 PolarHBondContact O-N 3.09Å; I234-F238 WeakPolarHBondContact O-CB 3.42Å; I234-F238 PolarHBondContact O-N 2.81Å; I234-Y260 HydrophobicContact CG2-CE1 4.36Å; I234-Y260 VanDerWaalsContact CG2-OH 3.24Å; I234-Y260 WeakPolarHBondContact CG2-OH 3.34Å; I234-M288 HydrophobicContact CG2-SD 4.34Å
235G94.4Very high91.6Very high5 Ų543.2 Ų43.25%0.05223%0.23CC..Hα-helixtrans-60.2-43.3176.900000112.5I231 A232 F238 A239I231-G235 PolarHBondContact O-N 3.35Å; A232-G235 PolarHBondContact O-N 2.9Å; G235-F238 PolarHBondContact O-N 3.36Å; G235-A239 WeakPolarHBondContact O-CB 3.45Å; G235-A239 PolarHBondContact O-N 3.28Å
236S95.1Very high91.9Very high63 Ų6346.5 Ų46.544%0.44124%0.244SC..Hα-helixtrans-62.8-48.2175.6-59.30000111.7A232 A233 I234 F238 A239 V240A232-S236 PolarHBondContact O-N 2.92Å; A232-S236 PolarHBondContact O-OG 3.43Å; A233-S236 PolarHBondContact O-N 3.39Å; I234-S236 VanDerWaalsContact C-N 3.35Å; I234-S236 PolarHBondContact O-N 2.82Å; S236-F238 PolarHBondContact O-N 3.29Å; S236-A239 PolarHBondContact O-N 3.44Å; S236-V240 PolarHBondContact O-N 3.14Å; S236-V240 VanDerWaalsContact O-N 3.1Å
237F96.2Very high92.6Very high0 Ų040.4 Ų40.40%021%0.211CC..Hα-helixtrans-57.1-48174.3175.9-105.8000112A201 T202 V205 I218 C221 F222 A233 I234 V240 L241A201-F237 HydrophobicContact CB-CD2 4.11Å; A201-F237 HydrophobicContact CB-CE2 3.81Å; T202-F237 VanDerWaalsContact OG1-CA 3.3Å; T202-F237 WeakPolarHBondContact OG1-CA 3.35Å; T202-F237 VanDerWaalsContact OG1-CB 3.32Å; T202-F237 WeakPolarHBondContact OG1-CB 3.39Å; V205-F237 HydrophobicContact CB-CE2 4.39Å; V205-F237 HydrophobicContact CG2-CE2 3.82Å; V205-F237 HydrophobicContact CG2-CZ 4.4Å; I218-F237 HydrophobicContact CB-CZ 4.33Å; I218-F237 HydrophobicContact CG1-CE1 4.34Å; I218-F237 HydrophobicContact CG1-CZ 3.76Å; I218-F237 HydrophobicContact CG2-CE1 4.39Å; C221-F237 HydrophobicContact CB-CD1 3.97Å; C221-F237 HydrophobicContact CB-CE1 3.63Å; C221-F237 HydrophobicContact CB-CZ 4.06Å; F222-F237 HydrophobicContact CD1-CE1 4.42Å; F222-F237 AromaticContact CE1-CD1 3.95Å; F222-F237 HydrophobicContact CE1-CD1 3.95Å; F222-F237 AromaticContact CE1-CE1 3.84Å; F222-F237 HydrophobicContact CE1-CE1 3.84Å; F222-F237 HydrophobicContact CZ-CE1 4.35Å; A233-F237 WeakPolarHBondContact O-CB 3.36Å; A233-F237 PolarHBondContact O-N 3.1Å; I234-F237 WeakPolarHBondContact O-CB 3.45Å; I234-F237 PolarHBondContact O-N 3.09Å; F237-V240 PolarHBondContact O-N 3.46Å; F237-L241 HydrophobicContact CE1-CD2 4.33Å; F237-L241 WeakPolarHBondContact O-CB 3.34Å; F237-L241 PolarHBondContact O-N 3.24Å
238F96Very high92.6Very high0 Ų043.3 Ų43.30%023%0.227CC..Hα-helixtrans-62.5-44.8-179-173.8-86.8000111.4F222 I234 G235 S236 V240 L241 V242 L257 Y260 M288 L292F222-F238 AromaticContact CE1-CD2 3.84Å; F222-F238 HydrophobicContact CE1-CD2 3.84Å; F222-F238 AromaticContact CZ-CD2 3.77Å; F222-F238 HydrophobicContact CZ-CD2 3.77Å; F222-F238 HydrophobicContact CZ-CE2 4.21Å; I234-F238 WeakPolarHBondContact O-CB 3.42Å; I234-F238 PolarHBondContact O-N 2.81Å; G235-F238 PolarHBondContact O-N 3.36Å; S236-F238 PolarHBondContact O-N 3.29Å; F238-V240 PolarHBondContact O-N 3.23Å; F238-L241 PolarHBondContact O-N 3.35Å; F238-V242 HydrophobicContact CD1-CG2 3.82Å; F238-V242 HydrophobicContact CE1-CG2 3.45Å; F238-V242 VanDerWaalsContact CE1-CG2 3.45Å; F238-V242 HydrophobicContact CZ-CG2 3.88Å; F238-V242 WeakPolarHBondContact O-CB 3.48Å; F238-V242 VanDerWaalsContact O-CG2 3.31Å; F238-V242 WeakPolarHBondContact O-CG2 3.33Å; F238-V242 PolarHBondContact O-N 3.41Å; F238-L257 HydrophobicContact CD2-CD2 4.08Å; F238-L257 HydrophobicContact CE2-CB 4.24Å; F238-L257 HydrophobicContact CE2-CD2 3.59Å; F238-L257 HydrophobicContact CE2-CG 4.48Å; F238-L257 HydrophobicContact CZ-CB 4.37Å; F238-L257 HydrophobicContact CZ-CD2 4.34Å; F238-Y260 AromaticContact CD2-CD1 3.94Å; F238-Y260 HydrophobicContact CD2-CD1 3.94Å; F238-Y260 HydrophobicContact CD2-CE1 4.07Å; F238-Y260 AromaticContact CE2-CD1 3.8Å; F238-Y260 HydrophobicContact CE2-CD1 3.8Å; F238-Y260 HydrophobicContact CE2-CE1 4.38Å; F238-M288 HydrophobicContact CB-CG 4.13Å; F238-M288 HydrophobicContact CB-SD 3.82Å; F238-M288 HydrophobicContact CD1-CB 3.71Å; F238-M288 HydrophobicContact CD1-CG 3.68Å; F238-M288 HydrophobicContact CD1-SD 4.15Å; F238-M288 HydrophobicContact CD2-SD 4.4Å; F238-M288 HydrophobicContact CE1-CB 3.86Å; F238-M288 HydrophobicContact CE1-CG 4.34Å; F238-M288 WeakPolarHBondContact CE1-O 3.42Å; F238-M288 HydrophobicContact CG-CB 4.37Å; F238-M288 HydrophobicContact CG-CG 4.02Å; F238-M288 HydrophobicContact CG-SD 3.87Å; F238-L292 HydrophobicContact CE1-CB 3.98Å; F238-L292 HydrophobicContact CZ-CB 4.15Å; F238-L292 HydrophobicContact CZ-CD1 4.35Å; F238-L292 HydrophobicContact CZ-CD2 4.17Å; F238-L292 HydrophobicContact CZ-CG 4.45Å
239A96.1Very high92.9Very high23 Ų2343.9 Ų43.919%0.1923%0.229CC..Hα-helixtrans-61.6-42.2177.800000112.1G235 S236 K243 T291G235-A239 WeakPolarHBondContact O-CB 3.45Å; G235-A239 PolarHBondContact O-N 3.28Å; S236-A239 PolarHBondContact O-N 3.44Å; A239-K243 WeakPolarHBondContact O-CB 3.46Å; A239-K243 VanDerWaalsContact O-CG 3.23Å; A239-K243 WeakPolarHBondContact O-CG 3.47Å; A239-K243 PolarHBondContact O-N 3.02Å; A239-T291 HydrophobicContact CB-CG2 4.42Å
240V95.8Very high93Very high27 Ų2736.2 Ų36.216%0.16420%0.201CC..Hα-helixtrans-63.2-45.9175.31660000111.1T202 V205 Q206 S236 F237 F238 V242 K243 H244T202-V240 HydrophobicContact CG2-CB 4.07Å; T202-V240 HydrophobicContact CG2-CG1 4.47Å; T202-V240 HydrophobicContact CG2-CG2 3.64Å; V205-V240 HydrophobicContact CG1-CG1 4.26Å; Q206-V240 HydrophobicContact CB-CG1 3.63Å; Q206-V240 HydrophobicContact CG-CG1 4.33Å; S236-V240 PolarHBondContact O-N 3.14Å; S236-V240 VanDerWaalsContact O-N 3.1Å; F237-V240 PolarHBondContact O-N 3.46Å; F238-V240 PolarHBondContact O-N 3.23Å; V240-V242 PolarHBondContact O-N 3.5Å; V240-K243 PolarHBondContact O-N 3.49Å; V240-H244 PolarHBondContact O-N 2.9Å
241L96.1Very high92.9Very high0 Ų039.3 Ų39.30%022%0.221CC..Hα-helixtrans-60.5-47.3178.2178.459000111.6V205 L211 I218 F222 F237 F238 K243 H244 L247 L253 L257V205-L241 HydrophobicContact CG1-CB 4.41Å; V205-L241 HydrophobicContact CG1-CD1 4.06Å; L211-L241 HydrophobicContact CD1-CD1 3.68Å; L211-L241 HydrophobicContact CD2-CD1 4.22Å; L211-L241 HydrophobicContact CG-CD1 4.45Å; I218-L241 HydrophobicContact CD1-CD1 3.82Å; I218-L241 HydrophobicContact CD1-CD2 4.04Å; I218-L241 HydrophobicContact CG1-CD2 4.08Å; I218-L241 HydrophobicContact CG2-CD2 3.72Å; F222-L241 HydrophobicContact CZ-CD2 3.89Å; F237-L241 HydrophobicContact CE1-CD2 4.33Å; F237-L241 WeakPolarHBondContact O-CB 3.34Å; F237-L241 PolarHBondContact O-N 3.24Å; F238-L241 PolarHBondContact O-N 3.35Å; L241-K243 VanDerWaalsContact C-N 3.3Å; L241-K243 PolarHBondContact O-N 2.86Å; L241-H244 WeakPolarHBondContact O-CB 3.37Å; L241-H244 PolarHBondContact O-N 3.13Å; L241-H244 VanDerWaalsContact O-N 3.13Å; L241-L247 WeakPolarHBondContact O-CD2 3.35Å; L241-L253 HydrophobicContact CD1-CD2 4.49Å; L241-L257 HydrophobicContact CD2-CD1 4.44Å; L241-L257 HydrophobicContact CD2-CD2 3.63Å; L241-L257 HydrophobicContact CG-CD1 4.37Å; L241-L257 HydrophobicContact CG-CD2 4.36Å
242V96.4Very high92.8Very high0 Ų043.2 Ų43.20%025%0.249CC..Hα-helixtrans-60-40.2177.5164.40000112F238 V240 H244 L257 T291 L292 R295 H296F238-V242 HydrophobicContact CD1-CG2 3.82Å; F238-V242 HydrophobicContact CE1-CG2 3.45Å; F238-V242 VanDerWaalsContact CE1-CG2 3.45Å; F238-V242 HydrophobicContact CZ-CG2 3.88Å; F238-V242 WeakPolarHBondContact O-CB 3.48Å; F238-V242 VanDerWaalsContact O-CG2 3.31Å; F238-V242 WeakPolarHBondContact O-CG2 3.33Å; F238-V242 PolarHBondContact O-N 3.41Å; V240-V242 PolarHBondContact O-N 3.5Å; V242-H244 PolarHBondContact O-N 3.21Å; V242-L257 HydrophobicContact CG2-CD1 4.34Å; V242-T291 HydrophobicContact CG1-CG2 4.06Å; V242-T291 WeakPolarHBondContact CG1-O 3.22Å; V242-L292 HydrophobicContact CG1-CD1 4.49Å; V242-L292 HydrophobicContact CG2-CB 4.28Å; V242-L292 HydrophobicContact CG2-CD1 3.71Å; V242-R295 HydrophobicContact CG1-CB 3.74Å; V242-R295 HydrophobicContact CG1-CG 4.02Å; V242-R295 WeakPolarHBondContact O-CG 3.42Å; V242-H296 PolarHBondContact O-NE2 3.24Å
243K94.4Very high92.9Very high131 Ų13141 Ų4157%0.5723%0.23SC*.Hα-helixtrans-80.1-4-180-69.1173.1-176.9178.10113.2A239 V240 L241A239-K243 WeakPolarHBondContact O-CB 3.46Å; A239-K243 VanDerWaalsContact O-CG 3.23Å; A239-K243 WeakPolarHBondContact O-CG 3.47Å; A239-K243 PolarHBondContact O-N 3.02Å; V240-K243 PolarHBondContact O-N 3.49Å; L241-K243 VanDerWaalsContact C-N 3.3Å; L241-K243 PolarHBondContact O-N 2.86Å
244H93.7Very high92.8Very high8 Ų840.8 Ų40.84%0.03723%0.227CC..  trans-62.6129.4-178-172.9-88.2000111.4V205 T208 V240 L241 V242 K246 L247V205-H244 PolarHBondContact O-CD2 3.47Å; T208-H244 PolarHBondContact O-NE2 3.36Å; V240-H244 PolarHBondContact O-N 2.9Å; L241-H244 WeakPolarHBondContact O-CB 3.37Å; L241-H244 PolarHBondContact O-N 3.13Å; L241-H244 VanDerWaalsContact O-N 3.13Å; V242-H244 PolarHBondContact O-N 3.21Å; H244-K246 PolarHBondContact ND1-N 3.04Å; H244-K246 PolarHBondContact O-N 3.2Å; H244-K246 VanDerWaalsContact O-N 3.08Å; H244-L247 WeakPolarHBondContact O-CB 3.44Å; H244-L247 PolarHBondContact O-N 2.97Å; H244-L247 VanDerWaalsContact O-N 3.1Å
245P88.2Confident92.7Very high100 Ų10044.3 Ų44.365%0.64924%0.243SC*.THydrogen-bonded Turntrans-67.2-17.8-168.425.4-35.9000114.7
246K89.1Confident92.6Very high70 Ų7046.3 Ų46.330%0.30425%0.252SS..THydrogen-bonded Turntrans-100.5-0.4177.8-59.3-171.4178.6-176.70114.2T209 H244 D248 Q249 Y250T209-K246 WeakPolarHBondContact O-CD 3.11Å; T209-K246 WeakPolarHBondContact O-CE 3.11Å; T209-K246 PolarHBondContact O-NZ 3.32Å; H244-K246 PolarHBondContact ND1-N 3.04Å; H244-K246 PolarHBondContact O-N 3.2Å; H244-K246 VanDerWaalsContact O-N 3.08Å; K246-D248 PolarHBondContact O-N 2.96Å; K246-Q249 VanDerWaalsContact O-CB 3.28Å; K246-Q249 WeakPolarHBondContact O-CB 3.21Å; K246-Q249 PolarHBondContact O-N 2.98Å; K246-Y250 HydrophobicContact CB-CE2 4.43Å; K246-Y250 WeakPolarHBondContact O-CD2 3.35Å
247L92.8Very high92.6Very high0 Ų043.3 Ų43.30%023%0.231CC..G310 helixtrans-58.8-35.4-173.6179.459.2000112.4L211 L241 H244 Q249 Y250 L253 L254 L257 H296L211-L247 HydrophobicContact CD2-CB 4.42Å; L211-L247 HydrophobicContact CD2-CD1 3.98Å; L241-L247 WeakPolarHBondContact O-CD2 3.35Å; H244-L247 WeakPolarHBondContact O-CB 3.44Å; H244-L247 PolarHBondContact O-N 2.97Å; H244-L247 VanDerWaalsContact O-N 3.1Å; L247-Q249 PolarHBondContact O-N 3.04Å; L247-Y250 PolarHBondContact O-N 3.35Å; L247-L253 HydrophobicContact CD1-CB 4.32Å; L247-L253 HydrophobicContact CD1-CD2 3.72Å; L247-L253 HydrophobicContact CD1-CG 3.91Å; L247-L254 HydrophobicContact CD1-CD2 4.26Å; L247-L254 HydrophobicContact CD1-CG 4.14Å; L247-L254 HydrophobicContact CD2-CD2 3.65Å; L247-L254 HydrophobicContact CD2-CG 4.39Å; L247-L254 HydrophobicContact CG-CD2 3.68Å; L247-L254 HydrophobicContact CG-CG 3.88Å; L247-L257 HydrophobicContact CD1-CD1 4.08Å; L247-L257 HydrophobicContact CD2-CD1 3.66Å; L247-L257 HydrophobicContact CG-CD1 4.48Å; L247-H296 WeakPolarHBondContact CD2-NE2 3.32Å
248D87.7Confident92.5Very high90 Ų9043.3 Ų43.348%0.48123%0.231SC..G310 helixtrans-58.6-20.5176.2-61.3-39.2000114.2K246 Y250 H296K246-D248 PolarHBondContact O-N 2.96Å; D248-Y250 PolarHBondContact O-N 3.41Å; D248-H296 IonicContact OD1-CE1 2.73Å; D248-H296 PolarHBondContact OD1-CE1 2.84Å; D248-H296 IonicContact OD1-ND1 2.79Å; D248-H296 PolarHBondContact OD1-ND1 3.43Å; D248-H296 VanDerWaalsContact OD1-ND1 3.1Å
249Q89.5Confident92.4Very high129 Ų12947.9 Ų47.960%0.60325%0.252SS*.G310 helixtrans-78.6-10.3177.3-56.517413.500112.2K246 L247 P251K246-Q249 VanDerWaalsContact O-CB 3.28Å; K246-Q249 WeakPolarHBondContact O-CB 3.21Å; K246-Q249 PolarHBondContact O-N 2.98Å; L247-Q249 PolarHBondContact O-N 3.04Å; Q249-P251 WeakPolarHBondContact O-CD 3.18Å
250Y90.8Very high92.3Very high45 Ų4547.5 Ų47.518%0.17625%0.246CC..  trans-123.472.9-175.1-59-84000111.3L211 E212 K246 L247 D248 S252 L253 L254L211-Y250 HydrophobicContact CB-CD2 4.48Å; L211-Y250 HydrophobicContact CB-CE2 4.07Å; L211-Y250 HydrophobicContact CD2-CD2 4.19Å; E212-Y250 HydrophobicContact CB-CE1 3.96Å; E212-Y250 HydrophobicContact CG-CE1 4.44Å; K246-Y250 HydrophobicContact CB-CE2 4.43Å; K246-Y250 WeakPolarHBondContact O-CD2 3.35Å; L247-Y250 PolarHBondContact O-N 3.35Å; D248-Y250 PolarHBondContact O-N 3.41Å; Y250-S252 PolarHBondContact O-N 3.49Å; Y250-L253 WeakPolarHBondContact O-CB 3.24Å; Y250-L253 PolarHBondContact O-N 3.16Å; Y250-L254 PolarHBondContact O-N 2.87Å
251P88.9Confident92.1Very high65 Ų6546.3 Ų46.342%0.42224%0.239SC..Hα-helixtrans-62.2-27.7-176.524-34000113.7Q249 L254 K255 F299Q249-P251 WeakPolarHBondContact O-CD 3.18Å; P251-L254 PolarHBondContact O-N 2.81Å; P251-K255 PolarHBondContact O-N 2.87Å; P251-F299 HydrophobicContact CB-CE2 4.3Å
252S89.9Confident92Very high91 Ų9147.2 Ų47.264%0.63625%0.249SC*.Hα-helixtrans-66.1-39.1173.350.10000112.3Y250 K255 L256Y250-S252 PolarHBondContact O-N 3.49Å; S252-K255 PolarHBondContact O-N 3.25Å; S252-L256 PolarHBondContact O-N 3.12Å; S252-L256 VanDerWaalsContact O-N 3.09Å
253L91.7Very high91.7Very high6 Ų651.8 Ų51.83%0.03127%0.268CS..Hα-helixtrans-70.1-40.7175.7-177.159.4000110.7L211 I218 L241 L247 Y250 K255 L256 L257L211-L253 HydrophobicContact CD2-CD2 3.65Å; L211-L253 HydrophobicContact CG-CD2 3.93Å; I218-L253 HydrophobicContact CD1-CD1 4.37Å; I218-L253 HydrophobicContact CD1-CD2 4.22Å; I218-L253 HydrophobicContact CG2-CD1 4.39Å; L241-L253 HydrophobicContact CD1-CD2 4.49Å; L247-L253 HydrophobicContact CD1-CB 4.32Å; L247-L253 HydrophobicContact CD1-CD2 3.72Å; L247-L253 HydrophobicContact CD1-CG 3.91Å; Y250-L253 WeakPolarHBondContact O-CB 3.24Å; Y250-L253 PolarHBondContact O-N 3.16Å; L253-K255 VanDerWaalsContact C-N 3.32Å; L253-K255 PolarHBondContact O-N 3.31Å; L253-L256 HydrophobicContact CD1-CD2 4.16Å; L253-L256 WeakPolarHBondContact O-CB 3.25Å; L253-L256 PolarHBondContact O-N 3.41Å; L253-L256 VanDerWaalsContact O-N 3.16Å; L253-L257 WeakPolarHBondContact O-CG 3.42Å; L253-L257 PolarHBondContact O-N 3.02Å
254L92.9Very high91.6Very high4 Ų445.7 Ų45.72%0.02124%0.242CC..Hα-helixtrans-57.3-45.2172-82.5170.4000112L247 Y250 P251 L256 L257 F258 H296 F299L247-L254 HydrophobicContact CD1-CD2 4.26Å; L247-L254 HydrophobicContact CD1-CG 4.14Å; L247-L254 HydrophobicContact CD2-CD2 3.65Å; L247-L254 HydrophobicContact CD2-CG 4.39Å; L247-L254 HydrophobicContact CG-CD2 3.68Å; L247-L254 HydrophobicContact CG-CG 3.88Å; Y250-L254 PolarHBondContact O-N 2.87Å; P251-L254 PolarHBondContact O-N 2.81Å; L254-L256 VanDerWaalsContact C-N 3.31Å; L254-L256 PolarHBondContact O-N 2.76Å; L254-L257 HydrophobicContact CD2-CD1 4.39Å; L254-L257 WeakPolarHBondContact O-CB 3.38Å; L254-L257 PolarHBondContact O-N 2.89Å; L254-L257 VanDerWaalsContact O-N 3.09Å; L254-F258 WeakPolarHBondContact O-CD2 3.45Å; L254-F258 PolarHBondContact O-N 3.03Å; L254-F258 VanDerWaalsContact O-N 3.09Å; L254-H296 HydrophobicContact CD2-CB 4.3Å; L254-F299 HydrophobicContact CB-CD2 4.19Å; L254-F299 HydrophobicContact CB-CE2 3.89Å; L254-F299 HydrophobicContact CB-CZ 4.07Å; L254-F299 HydrophobicContact CD1-CD2 3.84Å; L254-F299 HydrophobicContact CD1-CE2 4.27Å; L254-F299 HydrophobicContact CD1-CG 4.33Å
255K91.7Very high91.4Very high74 Ų7447.6 Ų47.632%0.32225%0.249SC..Hα-helixtrans-58.3-44.3175.2-172.3173.4-175164.50111.8P251 S252 L253 L257 F258 E259 E306P251-K255 PolarHBondContact O-N 2.87Å; S252-K255 PolarHBondContact O-N 3.25Å; L253-K255 VanDerWaalsContact C-N 3.32Å; L253-K255 PolarHBondContact O-N 3.31Å; K255-L257 VanDerWaalsContact C-N 3.27Å; K255-L257 PolarHBondContact O-N 3.44Å; K255-F258 PolarHBondContact O-N 3.5Å; K255-E259 VanDerWaalsContact CE-OE1 3.27Å; K255-E259 WeakPolarHBondContact CE-OE1 3.41Å; K255-E259 WeakPolarHBondContact O-CG 3.35Å; K255-E259 PolarHBondContact O-N 3.48Å; K255-E306 IonicContact NZ-OE2 3.62Å; K255-E306 PolarHBondContact NZ-OE2 3.39Å
256L91.1Very high91.5Very high47 Ų4746.6 Ų46.625%0.24624%0.244CC..Hα-helixtrans-59.6-37175.7-177.267.8000112.1Q219 S252 L253 L254 E259 Y260Q219-L256 HydrophobicContact CG-CD2 4.09Å; S252-L256 PolarHBondContact O-N 3.12Å; S252-L256 VanDerWaalsContact O-N 3.09Å; L253-L256 HydrophobicContact CD1-CD2 4.16Å; L253-L256 WeakPolarHBondContact O-CB 3.25Å; L253-L256 PolarHBondContact O-N 3.41Å; L253-L256 VanDerWaalsContact O-N 3.16Å; L254-L256 VanDerWaalsContact C-N 3.31Å; L254-L256 PolarHBondContact O-N 2.76Å; L256-E259 PolarHBondContact O-N 3.19Å; L256-Y260 VanDerWaalsContact O-CB 3.29Å; L256-Y260 WeakPolarHBondContact O-CB 3.4Å; L256-Y260 PolarHBondContact O-N 3.36Å
257L95Very high91.4Very high0 Ų045.7 Ų45.70%025%0.25CC..Hα-helixtrans-66.5-41.2176.3-65.6171.6000112.4F222 F238 L241 V242 L247 L253 L254 K255 Y260 A261 L292F222-L257 HydrophobicContact CE2-CD2 3.52Å; F222-L257 HydrophobicContact CZ-CD2 3.38Å; F238-L257 HydrophobicContact CD2-CD2 4.08Å; F238-L257 HydrophobicContact CE2-CB 4.24Å; F238-L257 HydrophobicContact CE2-CD2 3.59Å; F238-L257 HydrophobicContact CE2-CG 4.48Å; F238-L257 HydrophobicContact CZ-CB 4.37Å; F238-L257 HydrophobicContact CZ-CD2 4.34Å; L241-L257 HydrophobicContact CD2-CD1 4.44Å; L241-L257 HydrophobicContact CD2-CD2 3.63Å; L241-L257 HydrophobicContact CG-CD1 4.37Å; L241-L257 HydrophobicContact CG-CD2 4.36Å; V242-L257 HydrophobicContact CG2-CD1 4.34Å; L247-L257 HydrophobicContact CD1-CD1 4.08Å; L247-L257 HydrophobicContact CD2-CD1 3.66Å; L247-L257 HydrophobicContact CG-CD1 4.48Å; L253-L257 WeakPolarHBondContact O-CG 3.42Å; L253-L257 PolarHBondContact O-N 3.02Å; L254-L257 HydrophobicContact CD2-CD1 4.39Å; L254-L257 WeakPolarHBondContact O-CB 3.38Å; L254-L257 PolarHBondContact O-N 2.89Å; L254-L257 VanDerWaalsContact O-N 3.09Å; K255-L257 VanDerWaalsContact C-N 3.27Å; K255-L257 PolarHBondContact O-N 3.44Å; L257-Y260 PolarHBondContact O-N 3.28Å; L257-A261 VanDerWaalsContact O-CB 3.31Å; L257-A261 WeakPolarHBondContact O-CB 3.38Å; L257-A261 PolarHBondContact O-N 3.3Å; L257-L292 HydrophobicContact CB-CD1 4Å; L257-L292 HydrophobicContact CB-CD2 4.42Å; L257-L292 HydrophobicContact CD1-CD1 4.37Å
258F95.3Very high91.2Very high0 Ų047 Ų470%026%0.256CS..Hα-helixtrans-66.3-39.2173.8-81.5-78.5000112.2L254 K255 Y260 A261 G262 L292 F299 M300 C308 V309 T312L254-F258 WeakPolarHBondContact O-CD2 3.45Å; L254-F258 PolarHBondContact O-N 3.03Å; L254-F258 VanDerWaalsContact O-N 3.09Å; K255-F258 PolarHBondContact O-N 3.5Å; F258-Y260 VanDerWaalsContact C-N 3.34Å; F258-A261 PolarHBondContact O-N 2.97Å; F258-G262 PolarHBondContact O-N 3.31Å; F258-L292 HydrophobicContact CB-CD2 4.45Å; F258-L292 HydrophobicContact CD1-CD2 3.54Å; F258-L292 HydrophobicContact CD1-CG 4.37Å; F258-L292 HydrophobicContact CD2-CD2 4Å; F258-L292 HydrophobicContact CD2-CG 4.5Å; F258-L292 HydrophobicContact CE1-CD2 3.58Å; F258-L292 HydrophobicContact CE1-CG 3.92Å; F258-L292 HydrophobicContact CE2-CD1 4.16Å; F258-L292 HydrophobicContact CE2-CD2 4.02Å; F258-L292 HydrophobicContact CE2-CG 4.05Å; F258-L292 HydrophobicContact CG-CD2 3.75Å; F258-L292 HydrophobicContact CZ-CD1 4.31Å; F258-L292 HydrophobicContact CZ-CD2 3.81Å; F258-L292 HydrophobicContact CZ-CG 3.73Å; F258-F299 AromaticContact CD2-CD1 3.89Å; F258-F299 HydrophobicContact CD2-CD1 3.89Å; F258-F299 AromaticContact CD2-CE1 3.67Å; F258-F299 HydrophobicContact CD2-CE1 3.67Å; F258-F299 AromaticContact CE2-CD1 3.43Å; F258-F299 HydrophobicContact CE2-CD1 3.43Å; F258-F299 VanDerWaalsContact CE2-CD1 3.43Å; F258-F299 AromaticContact CE2-CE1 3.73Å; F258-F299 HydrophobicContact CE2-CE1 3.73Å; F258-F299 HydrophobicContact CE2-CG 4.41Å; F258-F299 HydrophobicContact CZ-CD1 4.24Å; F258-M300 HydrophobicContact CE1-CE 4.33Å; F258-M300 HydrophobicContact CE1-CG 3.6Å; F258-M300 HydrophobicContact CE1-SD 3.81Å; F258-M300 HydrophobicContact CE2-CG 4.37Å; F258-M300 HydrophobicContact CZ-CG 3.37Å; F258-M300 HydrophobicContact CZ-SD 3.99Å; F258-C308 HydrophobicContact CB-CB 4.2Å; F258-V309 HydrophobicContact CD1-CG2 4.32Å; F258-V309 HydrophobicContact CG-CG2 4.3Å; F258-T312 HydrophobicContact CD1-CG2 4.25Å; F258-T312 HydrophobicContact CE1-CG2 4.04Å
259E93.2Very high91.3Very high96 Ų9644.1 Ų44.145%0.44924%0.24SC..Hα-helixtrans-63.6-41.1174-72.1171.8-176.900111.5K255 L256 G262 K263 C308K255-E259 VanDerWaalsContact CE-OE1 3.27Å; K255-E259 WeakPolarHBondContact CE-OE1 3.41Å; K255-E259 WeakPolarHBondContact O-CG 3.35Å; K255-E259 PolarHBondContact O-N 3.48Å; L256-E259 PolarHBondContact O-N 3.19Å; E259-G262 PolarHBondContact O-N 2.93Å; E259-K263 PolarHBondContact O-N 3.44Å; E259-C308 HydrophobicContact CG-CB 4.25Å
260Y93.2Very high91Very high15 Ų1542.9 Ų42.96%0.05924%0.237CC..Hα-helixtrans-65.7-46.3175.8-179-110000112.3F222 A225 I234 F238 L256 L257 F258 G262 K263 L264F222-Y260 HydrophobicContact CB-CD2 3.68Å; F222-Y260 HydrophobicContact CB-CE1 4.47Å; F222-Y260 HydrophobicContact CB-CE2 3.4Å; F222-Y260 HydrophobicContact CB-CG 4.33Å; F222-Y260 AromaticContact CD1-CD1 3.93Å; F222-Y260 HydrophobicContact CD1-CD1 3.93Å; F222-Y260 HydrophobicContact CD1-CD2 4.38Å; F222-Y260 AromaticContact CD1-CE1 3.48Å; F222-Y260 HydrophobicContact CD1-CE1 3.48Å; F222-Y260 VanDerWaalsContact CD1-CE1 3.48Å; F222-Y260 HydrophobicContact CD1-CE2 4.01Å; F222-Y260 HydrophobicContact CD1-CG 4.33Å; F222-Y260 AromaticContact CD1-CZ 3.51Å; F222-Y260 HydrophobicContact CD2-CD1 4.1Å; F222-Y260 HydrophobicContact CD2-CD2 4.01Å; F222-Y260 HydrophobicContact CD2-CE1 4.44Å; F222-Y260 HydrophobicContact CD2-CE2 4.39Å; F222-Y260 AromaticContact CD2-CG 3.84Å; F222-Y260 HydrophobicContact CD2-CG 3.84Å; F222-Y260 AromaticContact CE1-CD1 3.99Å; F222-Y260 HydrophobicContact CE1-CD1 3.99Å; F222-Y260 AromaticContact CE1-CE1 3.73Å; F222-Y260 HydrophobicContact CE1-CE1 3.73Å; F222-Y260 HydrophobicContact CE2-CD1 4.15Å; F222-Y260 HydrophobicContact CE2-CG 4.2Å; F222-Y260 AromaticContact CG-CD1 4Å; F222-Y260 HydrophobicContact CG-CD1 4Å; F222-Y260 AromaticContact CG-CD2 3.77Å; F222-Y260 HydrophobicContact CG-CD2 3.77Å; F222-Y260 AromaticContact CG-CE1 3.88Å; F222-Y260 HydrophobicContact CG-CE1 3.88Å; F222-Y260 AromaticContact CG-CE2 3.69Å; F222-Y260 HydrophobicContact CG-CE2 3.69Å; F222-Y260 AromaticContact CG-CG 3.91Å; F222-Y260 HydrophobicContact CG-CG 3.91Å; F222-Y260 AromaticContact CG-CZ 3.71Å; F222-Y260 HydrophobicContact CZ-CD1 4.1Å; F222-Y260 HydrophobicContact CZ-CE1 4.31Å; F222-Y260 WeakPolarHBondContact O-CE2 3.38Å; A225-Y260 HydrophobicContact CB-CE2 4.01Å; A225-Y260 WeakPolarHBondContact CB-OH 3.32Å; I234-Y260 HydrophobicContact CG2-CE1 4.36Å; I234-Y260 VanDerWaalsContact CG2-OH 3.24Å; I234-Y260 WeakPolarHBondContact CG2-OH 3.34Å; F238-Y260 AromaticContact CD2-CD1 3.94Å; F238-Y260 HydrophobicContact CD2-CD1 3.94Å; F238-Y260 HydrophobicContact CD2-CE1 4.07Å; F238-Y260 AromaticContact CE2-CD1 3.8Å; F238-Y260 HydrophobicContact CE2-CD1 3.8Å; F238-Y260 HydrophobicContact CE2-CE1 4.38Å; L256-Y260 VanDerWaalsContact O-CB 3.29Å; L256-Y260 WeakPolarHBondContact O-CB 3.4Å; L256-Y260 PolarHBondContact O-N 3.36Å; L257-Y260 PolarHBondContact O-N 3.28Å; F258-Y260 VanDerWaalsContact C-N 3.34Å; Y260-G262 PolarHBondContact O-N 2.88Å; Y260-K263 WeakPolarHBondContact O-CA 3.35Å; Y260-K263 WeakPolarHBondContact O-CB 3.3Å; Y260-K263 PolarHBondContact O-N 3.49Å; Y260-L264 HydrophobicContact CD1-CD1 4.03Å; Y260-L264 HydrophobicContact CD1-CG 4.38Å; Y260-L264 HydrophobicContact CE1-CD1 3.47Å; Y260-L264 VanDerWaalsContact CE1-CD1 3.47Å; Y260-L264 HydrophobicContact CE1-CD2 4.45Å; Y260-L264 HydrophobicContact CE1-CG 4Å; Y260-L264 HydrophobicContact CE2-CD2 4.26Å; Y260-L264 HydrophobicContact CE2-CG 4.31Å; Y260-L264 PolarHBondContact O-N 3.21Å
261A93.5Very high90.4Very high1 Ų149.3 Ų49.31%0.00827%0.269CS..Hα-helixtrans-57.4-39.8173.200000111.3L257 F258 L264 R265 I289 L292L257-A261 VanDerWaalsContact O-CB 3.31Å; L257-A261 WeakPolarHBondContact O-CB 3.38Å; L257-A261 PolarHBondContact O-N 3.3Å; F258-A261 PolarHBondContact O-N 2.97Å; A261-L264 PolarHBondContact O-N 3.49Å; A261-R265 WeakPolarHBondContact O-CB 3.41Å; A261-R265 PolarHBondContact O-N 2.86Å; A261-I289 HydrophobicContact CB-CG1 4.1Å; A261-L292 HydrophobicContact CB-CD2 4.07Å
262G92.1Very high89.8Confident20 Ų2055.4 Ų55.421%0.20629%0.292CS..Hα-helixtrans-61.7-42.7171.900000113.5F258 E259 Y260 R265 S266F258-G262 PolarHBondContact O-N 3.31Å; E259-G262 PolarHBondContact O-N 2.93Å; Y260-G262 PolarHBondContact O-N 2.88Å; G262-R265 PolarHBondContact O-N 3.49Å; G262-S266 PolarHBondContact O-N 2.9Å
263K91Very high89.4Confident95 Ų9553.8 Ų53.841%0.41328%0.278SS..Hα-helixtrans-59.7-50.7173.8-173.7-169.2171.8-162.50110.6D226 E259 Y260 R265 S266 A267D226-K263 IonicContact OD1-NZ 3.45Å; D226-K263 PolarHBondContact OD1-NZ 2.84Å; D226-K263 VanDerWaalsContact OD1-NZ 3.12Å; E259-K263 PolarHBondContact O-N 3.44Å; Y260-K263 WeakPolarHBondContact O-CA 3.35Å; Y260-K263 WeakPolarHBondContact O-CB 3.3Å; Y260-K263 PolarHBondContact O-N 3.49Å; K263-R265 PolarHBondContact O-N 3.03Å; K263-S266 PolarHBondContact O-N 3.1Å; K263-S266 PolarHBondContact O-OG 3.48Å; K263-A267 PolarHBondContact O-N 3.27Å; K263-A267 VanDerWaalsContact O-N 3.09Å
264L91.3Very high89.1Confident3 Ų360 Ų602%0.01631%0.307CS..Hα-helixtrans-61.6-44.1179.9-65.1-177.3000112A225 Y260 A261 S266 A267 F268 T285 M288A225-L264 HydrophobicContact CB-CD2 3.78Å; Y260-L264 HydrophobicContact CD1-CD1 4.03Å; Y260-L264 HydrophobicContact CD1-CG 4.38Å; Y260-L264 HydrophobicContact CE1-CD1 3.47Å; Y260-L264 VanDerWaalsContact CE1-CD1 3.47Å; Y260-L264 HydrophobicContact CE1-CD2 4.45Å; Y260-L264 HydrophobicContact CE1-CG 4Å; Y260-L264 HydrophobicContact CE2-CD2 4.26Å; Y260-L264 HydrophobicContact CE2-CG 4.31Å; Y260-L264 PolarHBondContact O-N 3.21Å; A261-L264 PolarHBondContact O-N 3.49Å; L264-S266 VanDerWaalsContact C-N 3.31Å; L264-S266 PolarHBondContact O-N 3.25Å; L264-A267 PolarHBondContact O-N 3.43Å; L264-A267 VanDerWaalsContact O-N 3.09Å; L264-F268 HydrophobicContact CB-CD2 4.41Å; L264-F268 HydrophobicContact CD2-CD2 4.19Å; L264-F268 HydrophobicContact CD2-CE2 3.82Å; L264-F268 PolarHBondContact O-N 3.21Å; L264-T285 HydrophobicContact CB-CG2 3.71Å; L264-M288 HydrophobicContact CD1-CE 3.74Å; L264-M288 HydrophobicContact CD1-SD 3.79Å
265R91.5Very high88.8Confident49 Ų4961.7 Ų61.719%0.18532%0.315CS..Hα-helixtrans-52.9-49.4173.3178-151175-160.314111A261 G262 K263 A267 L269 I289 D311 T315A261-R265 WeakPolarHBondContact O-CB 3.41Å; A261-R265 PolarHBondContact O-N 2.86Å; G262-R265 PolarHBondContact O-N 3.49Å; K263-R265 PolarHBondContact O-N 3.03Å; R265-A267 PolarHBondContact O-N 3.21Å; R265-L269 HydrophobicContact CB-CD1 4.41Å; R265-L269 HydrophobicContact CG-CB 4.22Å; R265-L269 HydrophobicContact CG-CD1 4.2Å; R265-L269 WeakPolarHBondContact O-CA 3.4Å; R265-L269 WeakPolarHBondContact O-CB 3.37Å; R265-L269 PolarHBondContact O-N 3.33Å; R265-I289 HydrophobicContact CB-CD1 4Å; R265-I289 HydrophobicContact CG-CD1 4.5Å; R265-D311 IonicContact CZ-OD1 2.9Å; R265-D311 VanDerWaalsContact NH1-CB 3.29Å; R265-D311 IonicContact NH1-OD1 3.61Å; R265-D311 PolarHBondContact NH1-OD1 2.91Å; R265-D311 IonicContact NH1-OD2 3.8Å; R265-D311 IonicContact NH2-OD1 3.47Å; R265-T315 WeakPolarHBondContact CD-OG1 3.36Å; R265-T315 HydrophobicContact CG-CG2 4.36Å; R265-T315 PolarHBondContact NE-OG1 3.36Å
266S89.7Confident88.5Confident78 Ų7859.3 Ų59.355%0.54531%0.308SS..Hα-helixtrans-65.6-27.3-179.570.80000113.5G262 K263 L264 L270G262-S266 PolarHBondContact O-N 2.9Å; K263-S266 PolarHBondContact O-N 3.1Å; K263-S266 PolarHBondContact O-OG 3.48Å; L264-S266 VanDerWaalsContact C-N 3.31Å; L264-S266 PolarHBondContact O-N 3.25Å; S266-L270 WeakPolarHBondContact O-CD2 3.47Å
267A87.5Confident88Confident52 Ų5264.7 Ų64.743%0.4333%0.329SS..Hα-helixtrans-83.1-41.5179.700000112.7K263 L264 R265K263-A267 PolarHBondContact O-N 3.27Å; K263-A267 VanDerWaalsContact O-N 3.09Å; L264-A267 PolarHBondContact O-N 3.43Å; L264-A267 VanDerWaalsContact O-N 3.09Å; R265-A267 PolarHBondContact O-N 3.21Å
268F88.6Confident87.5Confident27 Ų2771.7 Ų71.712%0.11837%0.366CS..Hα-helixtrans-119.5-14.2-165-56.8-53.9000115E228 I231 L264 T285E228-F268 HydrophobicContact CG-CE1 3.95Å; E228-F268 HydrophobicContact CG-CZ 4.38Å; I231-F268 HydrophobicContact CD1-CE2 4.14Å; L264-F268 HydrophobicContact CB-CD2 4.41Å; L264-F268 HydrophobicContact CD2-CD2 4.19Å; L264-F268 HydrophobicContact CD2-CE2 3.82Å; L264-F268 PolarHBondContact O-N 3.21Å; F268-T285 HydrophobicContact CB-CG2 4.49Å; F268-T285 WeakPolarHBondContact CD2-OG1 3.49Å
269L89.2Confident87.2Confident29 Ų2973.5 Ų73.515%0.15238%0.378CS..  trans-112.449.5-179.5-58.6-178.6000111.8R265 I275 A282 T285 I286 I289 T315R265-L269 HydrophobicContact CB-CD1 4.41Å; R265-L269 HydrophobicContact CG-CB 4.22Å; R265-L269 HydrophobicContact CG-CD1 4.2Å; R265-L269 WeakPolarHBondContact O-CA 3.4Å; R265-L269 WeakPolarHBondContact O-CB 3.37Å; R265-L269 PolarHBondContact O-N 3.33Å; L269-I275 HydrophobicContact CD2-CD1 3.92Å; L269-I275 HydrophobicContact CD2-CG1 4.06Å; L269-A282 HydrophobicContact CD2-CB 3.82Å; L269-T285 HydrophobicContact CD1-CG2 3.87Å; L269-T285 HydrophobicContact CG-CG2 3.88Å; L269-I286 HydrophobicContact CD1-CB 4.4Å; L269-I286 HydrophobicContact CD1-CD1 4.03Å; L269-I289 HydrophobicContact CD1-CD1 3.72Å; L269-T315 HydrophobicContact CD1-CG2 4.15Å
270L83.7Confident86.9Confident103 Ų10372.5 Ų72.554%0.53938%0.38SS..  trans-69.3153.1173.9-61174.3000110.6S266 Q272 V273S266-L270 WeakPolarHBondContact O-CD2 3.47Å; L270-Q272 PolarHBondContact O-N 2.93Å; L270-V273 HydrophobicContact CB-CG2 4.15Å; L270-V273 WeakPolarHBondContact O-CB 3.27Å; L270-V273 PolarHBondContact O-N 2.9Å
271E77.6Confident86.8Confident180 Ų18073.2 Ų73.284%0.84139%0.386SS*.THydrogen-bonded Turntrans-59.1-18-171.6-63.2-171.3153.900115.3K318E271-K318 IonicContact OE1-NZ 2.71Å
272Q75.3Confident86.7Confident194 Ų19473.2 Ų73.291%0.90739%0.385SS*.THydrogen-bonded Turntrans-93.3-7.6178.8-63-173.3-14.600113.8L270L270-Q272 PolarHBondContact O-N 2.93Å
273V82.2Confident86.7Confident57 Ų5774.3 Ų74.335%0.34538%0.383SS..  trans-88.2115.9-175.8-178.70000109L270 A282L270-V273 HydrophobicContact CB-CG2 4.15Å; L270-V273 WeakPolarHBondContact O-CB 3.27Å; L270-V273 PolarHBondContact O-N 2.9Å; V273-A282 HydrophobicContact CG1-CB 3.75Å
274E84.4Confident86.7Confident137 Ų13772.3 Ų72.364%0.6438%0.375SS*.  trans-69.1128.7169.6-171.7179.6165.500109.5S276 T279E274-S276 PolarHBondContact O-N 3.41Å; E274-T279 WeakPolarHBondContact O-CB 3.49Å; E274-T279 WeakPolarHBondContact O-CG2 3.29Å; E274-T279 PolarHBondContact O-OG1 3.06Å
275I87.4Confident86.9Confident39 Ų3972.2 Ų72.220%0.238%0.375CS..  trans-92.4100.8179.5-53.4173.4000108.2L269 W283 I286 V319 V332L269-I275 HydrophobicContact CD2-CD1 3.92Å; L269-I275 HydrophobicContact CD2-CG1 4.06Å; I275-W283 HydrophobicContact CG2-CE3 4.29Å; I275-I286 HydrophobicContact CG2-CB 4.38Å; I275-I286 HydrophobicContact CG2-CG2 3.66Å; I275-V319 HydrophobicContact CD1-CG2 4.29Å; I275-V332 HydrophobicContact CB-CG2 3.92Å; I275-V332 HydrophobicContact CG2-CB 4.49Å; I275-V332 HydrophobicContact CG2-CG2 3.54Å
276S85.3Confident87Confident23 Ų2369.9 Ų69.916%0.16137%0.366CS..SBendtrans-144.1170.1178.578.30000110E274 D278 T279 W283E274-S276 PolarHBondContact O-N 3.41Å; S276-D278 PolarHBondContact O-N 3Å; S276-D278 VanDerWaalsContact O-N 3.12Å; S276-D278 WeakPolarHBondContact OG-CB 3.13Å; S276-D278 PolarHBondContact OG-N 3.43Å; S276-D278 VanDerWaalsContact OG-N 3.17Å; S276-T279 PolarHBondContact N-OG1 3.02Å; S276-T279 CarbonylContact O-C 3.57Å; S276-T279 PolarHBondContact O-N 2.81Å; S276-T279 PolarHBondContact O-OG1 3.41Å; S276-T279 VanDerWaalsContact O-OG1 3.07Å; S276-W283 WeakPolarHBondContact O-CB 3.37Å
277K80.9Confident87.3Confident160 Ų16068 Ų6870%0.69635%0.35SS*.THydrogen-bonded Turntrans-62.2-17.4173.8-67.3-177.3179.1179.60112.7T279 W283K277-T279 VanDerWaalsContact C-N 3.33Å; K277-W283 HydrophobicContact CG-CD2 4.15Å; K277-W283 HydrophobicContact CG-CE3 4.44Å; K277-W283 HydrophobicContact CG-CH2 4.45Å; K277-W283 HydrophobicContact CG-CZ2 4.14Å
278D84.5Confident87.7Confident147 Ų14765.8 Ų65.879%0.78633%0.331SS*.THydrogen-bonded Turntrans-80.5-15.7176.4-54.7-45.3000112.6S276 P280S276-D278 PolarHBondContact O-N 3Å; S276-D278 VanDerWaalsContact O-N 3.12Å; S276-D278 WeakPolarHBondContact OG-CB 3.13Å; S276-D278 PolarHBondContact OG-N 3.43Å; S276-D278 VanDerWaalsContact OG-N 3.17Å; D278-P280 VanDerWaalsContact C-CD 3.41Å; D278-P280 WeakPolarHBondContact O-CD 3.45Å
279T88.3Confident88Confident39 Ų3964.6 Ų64.624%0.23933%0.326CS..SBendtrans-109.672.6172.753.30000110.2E274 S276 K277 T281 A282 W283E274-T279 WeakPolarHBondContact O-CB 3.49Å; E274-T279 WeakPolarHBondContact O-CG2 3.29Å; E274-T279 PolarHBondContact O-OG1 3.06Å; S276-T279 PolarHBondContact N-OG1 3.02Å; S276-T279 CarbonylContact O-C 3.57Å; S276-T279 PolarHBondContact O-N 2.81Å; S276-T279 PolarHBondContact O-OG1 3.41Å; S276-T279 VanDerWaalsContact O-OG1 3.07Å; K277-T279 VanDerWaalsContact C-N 3.33Å; T279-T281 VanDerWaalsContact C-N 3.27Å; T279-T281 PolarHBondContact O-N 3.35Å; T279-T281 VanDerWaalsContact O-N 3.1Å; T279-A282 PolarHBondContact O-N 3.35Å; T279-W283 WeakPolarHBondContact O-CB 3.31Å; T279-W283 PolarHBondContact O-N 2.88Å
280P87.1Confident88.4Confident75 Ų7563.5 Ų63.549%0.48732%0.32SS..Hα-helixtrans-57.7-34.4-167.922.3-34.5000113.7D278 W283 E284D278-P280 VanDerWaalsContact C-CD 3.41Å; D278-P280 WeakPolarHBondContact O-CD 3.45Å; P280-W283 PolarHBondContact O-N 3.27Å; P280-E284 WeakPolarHBondContact O-CB 3.46Å; P280-E284 VanDerWaalsContact O-CG 3.29Å; P280-E284 WeakPolarHBondContact O-CG 3.45Å; P280-E284 PolarHBondContact O-N 2.71Å
281T90.6Very high89Confident30 Ų3059.9 Ų59.918%0.18430%0.302CS..Hα-helixtrans-65.6-45.2177.247.90000112.6E228 I231 T279 T285E228-T281 HydrophobicContact CB-CG2 3.83Å; E228-T281 HydrophobicContact CG-CG2 3.96Å; I231-T281 HydrophobicContact CG2-CG2 4.11Å; T279-T281 VanDerWaalsContact C-N 3.27Å; T279-T281 PolarHBondContact O-N 3.35Å; T279-T281 VanDerWaalsContact O-N 3.1Å; T281-T285 VanDerWaalsContact O-CB 3.28Å; T281-T285 WeakPolarHBondContact O-CB 3.39Å; T281-T285 PolarHBondContact O-N 2.96Å; T281-T285 PolarHBondContact O-OG1 2.87Å
282A91.9Very high89.9Confident0 Ų051.3 Ų51.30%026%0.262CS..Hα-helixtrans-67.4-42.5175.700000111.1L269 V273 T279 T285 I286L269-A282 HydrophobicContact CD2-CB 3.82Å; V273-A282 HydrophobicContact CG1-CB 3.75Å; T279-A282 PolarHBondContact O-N 3.35Å; A282-T285 PolarHBondContact O-N 3.05Å; A282-I286 PolarHBondContact O-N 3Å
283W91.8Very high91Very high44 Ų4442.1 Ų42.117%0.16722%0.219CC..Hα-helixtrans-59.4-51.6177-175-102.5000112.7I275 S276 K277 T279 P280 T285 I286 N287 V332 I335I275-W283 HydrophobicContact CG2-CE3 4.29Å; S276-W283 WeakPolarHBondContact O-CB 3.37Å; K277-W283 HydrophobicContact CG-CD2 4.15Å; K277-W283 HydrophobicContact CG-CE3 4.44Å; K277-W283 HydrophobicContact CG-CH2 4.45Å; K277-W283 HydrophobicContact CG-CZ2 4.14Å; T279-W283 WeakPolarHBondContact O-CB 3.31Å; T279-W283 PolarHBondContact O-N 2.88Å; P280-W283 PolarHBondContact O-N 3.27Å; W283-T285 VanDerWaalsContact C-N 3.32Å; W283-T285 PolarHBondContact O-N 3.33Å; W283-I286 WeakPolarHBondContact O-CG2 3.41Å; W283-I286 PolarHBondContact O-N 3.47Å; W283-N287 VanDerWaalsContact CD1-ND2 3.26Å; W283-N287 PolarHBondContact NE1-ND2 3.35Å; W283-N287 PolarHBondContact O-N 2.88Å; W283-N287 PolarHBondContact O-ND2 3.22Å; W283-N287 VanDerWaalsContact O-ND2 3.13Å; W283-V332 HydrophobicContact CZ3-CG2 4.5Å; W283-I335 HydrophobicContact CH2-CG2 4.24Å
284E92.5Very high91.6Very high52 Ų5241.9 Ų41.924%0.24321%0.214CC..Hα-helixtrans-65.1-38178-69.9-52.6138.800111.8I231 P280 I286 N287 M288I231-E284 HydrophobicContact CG1-CB 4.01Å; I231-E284 HydrophobicContact CG2-CB 4.41Å; I231-E284 HydrophobicContact CG2-CG 4.38Å; P280-E284 WeakPolarHBondContact O-CB 3.46Å; P280-E284 VanDerWaalsContact O-CG 3.29Å; P280-E284 WeakPolarHBondContact O-CG 3.45Å; P280-E284 PolarHBondContact O-N 2.71Å; E284-I286 PolarHBondContact O-N 2.96Å; E284-N287 PolarHBondContact O-N 2.72Å; E284-M288 HydrophobicContact CB-CE 4.42Å; E284-M288 WeakPolarHBondContact O-CG 3.47Å; E284-M288 PolarHBondContact O-N 2.91Å
285T93.9Very high92.1Very high1 Ų141.4 Ų41.41%0.00621%0.207CC..Hα-helixtrans-60.5-45.4175.7-61.50000111.7L264 F268 L269 T281 A282 W283 M288 I289L264-T285 HydrophobicContact CB-CG2 3.71Å; F268-T285 HydrophobicContact CB-CG2 4.49Å; F268-T285 WeakPolarHBondContact CD2-OG1 3.49Å; L269-T285 HydrophobicContact CD1-CG2 3.87Å; L269-T285 HydrophobicContact CG-CG2 3.88Å; T281-T285 VanDerWaalsContact O-CB 3.28Å; T281-T285 WeakPolarHBondContact O-CB 3.39Å; T281-T285 PolarHBondContact O-N 2.96Å; T281-T285 PolarHBondContact O-OG1 2.87Å; A282-T285 PolarHBondContact O-N 3.05Å; W283-T285 VanDerWaalsContact C-N 3.32Å; W283-T285 PolarHBondContact O-N 3.33Å; T285-M288 PolarHBondContact O-N 3.4Å; T285-I289 HydrophobicContact CG2-CD1 4.12Å; T285-I289 WeakPolarHBondContact O-CG1 3.48Å; T285-I289 PolarHBondContact O-N 3.37Å; T285-I289 VanDerWaalsContact O-N 3.15Å
286I95.3Very high92.5Very high0 Ų039.7 Ų39.70%020%0.198CC..Hα-helixtrans-70.3-36.7179.5-164.262000112.1L269 I275 A282 W283 E284 M288 I289 V290 T315 V319 I335L269-I286 HydrophobicContact CD1-CB 4.4Å; L269-I286 HydrophobicContact CD1-CD1 4.03Å; I275-I286 HydrophobicContact CG2-CB 4.38Å; I275-I286 HydrophobicContact CG2-CG2 3.66Å; A282-I286 PolarHBondContact O-N 3Å; W283-I286 WeakPolarHBondContact O-CG2 3.41Å; W283-I286 PolarHBondContact O-N 3.47Å; E284-I286 PolarHBondContact O-N 2.96Å; I286-M288 VanDerWaalsContact C-N 3.31Å; I286-M288 PolarHBondContact O-N 3.23Å; I286-I289 HydrophobicContact CD1-CB 4.28Å; I286-I289 HydrophobicContact CD1-CD1 4.28Å; I286-I289 HydrophobicContact CD1-CG2 4.4Å; I286-I289 PolarHBondContact O-N 2.83Å; I286-I289 VanDerWaalsContact O-N 3.16Å; I286-V290 HydrophobicContact CG1-CG2 4.18Å; I286-V290 WeakPolarHBondContact O-CB 3.39Å; I286-V290 VanDerWaalsContact O-CG2 3.24Å; I286-V290 WeakPolarHBondContact O-CG2 3.46Å; I286-V290 PolarHBondContact O-N 3.28Å; I286-T315 HydrophobicContact CD1-CG2 3.86Å; I286-V319 HydrophobicContact CD1-CG2 3.5Å; I286-V319 HydrophobicContact CG1-CG2 3.77Å; I286-I335 HydrophobicContact CB-CD1 4.36Å; I286-I335 HydrophobicContact CG1-CD1 3.7Å; I286-I335 HydrophobicContact CG2-CD1 3.7Å
287N94.9Very high92.9Very high39 Ų3938.9 Ų38.921%0.20919%0.192CC..Hα-helixtrans-62.4-38.6175.7-73.2-34.6000111.9W283 E284 T291W283-N287 VanDerWaalsContact CD1-ND2 3.26Å; W283-N287 PolarHBondContact NE1-ND2 3.35Å; W283-N287 PolarHBondContact O-N 2.88Å; W283-N287 PolarHBondContact O-ND2 3.22Å; W283-N287 VanDerWaalsContact O-ND2 3.13Å; E284-N287 PolarHBondContact O-N 2.72Å; N287-T291 VanDerWaalsContact O-CB 3.24Å; N287-T291 WeakPolarHBondContact O-CB 3.25Å; N287-T291 PolarHBondContact O-N 3.05Å; N287-T291 PolarHBondContact O-OG1 3.05Å
288M95.4Very high93.5Very high6 Ų632.1 Ų32.13%0.0317%0.168CC..Hα-helixtrans-60.6-47.8172.6-76.4-173.2-98.500111.4I231 I234 F238 L264 E284 T285 I286 V290 T291 L292I231-M288 HydrophobicContact CD1-CE 3.75Å; I231-M288 HydrophobicContact CG1-CE 4.14Å; I234-M288 HydrophobicContact CG2-SD 4.34Å; F238-M288 HydrophobicContact CB-CG 4.13Å; F238-M288 HydrophobicContact CB-SD 3.82Å; F238-M288 HydrophobicContact CD1-CB 3.71Å; F238-M288 HydrophobicContact CD1-CG 3.68Å; F238-M288 HydrophobicContact CD1-SD 4.15Å; F238-M288 HydrophobicContact CD2-SD 4.4Å; F238-M288 HydrophobicContact CE1-CB 3.86Å; F238-M288 HydrophobicContact CE1-CG 4.34Å; F238-M288 WeakPolarHBondContact CE1-O 3.42Å; F238-M288 HydrophobicContact CG-CB 4.37Å; F238-M288 HydrophobicContact CG-CG 4.02Å; F238-M288 HydrophobicContact CG-SD 3.87Å; L264-M288 HydrophobicContact CD1-CE 3.74Å; L264-M288 HydrophobicContact CD1-SD 3.79Å; E284-M288 HydrophobicContact CB-CE 4.42Å; E284-M288 WeakPolarHBondContact O-CG 3.47Å; E284-M288 PolarHBondContact O-N 2.91Å; T285-M288 PolarHBondContact O-N 3.4Å; I286-M288 VanDerWaalsContact C-N 3.31Å; I286-M288 PolarHBondContact O-N 3.23Å; M288-V290 PolarHBondContact O-N 3.47Å; M288-T291 PolarHBondContact O-N 3.16Å; M288-L292 WeakPolarHBondContact O-CB 3.34Å; M288-L292 PolarHBondContact O-N 3.09Å
289I96.8Very high93.9Very high2 Ų226.3 Ų26.31%0.0114%0.136CC..Hα-helixtrans-60.8-47.2179.3-69.8166000111.1A261 R265 L269 T285 I286 L292 S293 T312 T315 L316A261-I289 HydrophobicContact CB-CG1 4.1Å; R265-I289 HydrophobicContact CB-CD1 4Å; R265-I289 HydrophobicContact CG-CD1 4.5Å; L269-I289 HydrophobicContact CD1-CD1 3.72Å; T285-I289 HydrophobicContact CG2-CD1 4.12Å; T285-I289 WeakPolarHBondContact O-CG1 3.48Å; T285-I289 PolarHBondContact O-N 3.37Å; T285-I289 VanDerWaalsContact O-N 3.15Å; I286-I289 HydrophobicContact CD1-CB 4.28Å; I286-I289 HydrophobicContact CD1-CD1 4.28Å; I286-I289 HydrophobicContact CD1-CG2 4.4Å; I286-I289 PolarHBondContact O-N 2.83Å; I286-I289 VanDerWaalsContact O-N 3.16Å; I289-L292 PolarHBondContact O-N 2.85Å; I289-S293 WeakPolarHBondContact O-CB 3.26Å; I289-S293 PolarHBondContact O-N 3.36Å; I289-S293 PolarHBondContact O-OG 2.75Å; I289-T312 HydrophobicContact CG2-CG2 3.81Å; I289-T315 HydrophobicContact CD1-CG2 4.28Å; I289-L316 HydrophobicContact CG2-CD2 4.22Å; I289-L316 HydrophobicContact CG2-CG 4.5Å
290V96.8Very high94.1Very high6 Ų624.5 Ų24.54%0.03612%0.124CC..Hα-helixtrans-62.2-50.9179168.20000110.3I286 M288 L292 S293 E294 L316 I335I286-V290 HydrophobicContact CG1-CG2 4.18Å; I286-V290 WeakPolarHBondContact O-CB 3.39Å; I286-V290 VanDerWaalsContact O-CG2 3.24Å; I286-V290 WeakPolarHBondContact O-CG2 3.46Å; I286-V290 PolarHBondContact O-N 3.28Å; M288-V290 PolarHBondContact O-N 3.47Å; V290-L292 VanDerWaalsContact C-N 3.3Å; V290-L292 PolarHBondContact O-N 3.35Å; V290-S293 PolarHBondContact O-N 3.05Å; V290-E294 HydrophobicContact CG1-CG 4.15Å; V290-E294 WeakPolarHBondContact CG1-OE1 3.29Å; V290-E294 WeakPolarHBondContact O-CB 3.49Å; V290-E294 WeakPolarHBondContact O-CG 3.3Å; V290-E294 PolarHBondContact O-N 2.87Å; V290-L316 HydrophobicContact CG2-CD2 3.84Å; V290-I335 WeakPolarHBondContact CG1-O 3.26Å; V290-I335 HydrophobicContact CG2-CD1 4.1Å; V290-I335 HydrophobicContact CG2-CG1 3.89Å
291T96.5Very high94.4Very high27 Ų2721.3 Ų21.317%0.16610%0.103CC..Hα-helixtrans-58.5-41.7179.5-580000111.8A239 V242 N287 M288 R295A239-T291 HydrophobicContact CB-CG2 4.42Å; V242-T291 HydrophobicContact CG1-CG2 4.06Å; V242-T291 WeakPolarHBondContact CG1-O 3.22Å; N287-T291 VanDerWaalsContact O-CB 3.24Å; N287-T291 WeakPolarHBondContact O-CB 3.25Å; N287-T291 PolarHBondContact O-N 3.05Å; N287-T291 PolarHBondContact O-OG1 3.05Å; M288-T291 PolarHBondContact O-N 3.16Å; T291-R295 WeakPolarHBondContact O-CB 3.34Å; T291-R295 PolarHBondContact O-N 3.33Å
292L97.2Very high94.3Very high0 Ų029.4 Ų29.40%013%0.13CC..Hα-helixtrans-60.4-47.6174.4179.267.5000111.1F238 V242 L257 F258 A261 M288 I289 V290 H296F238-L292 HydrophobicContact CE1-CB 3.98Å; F238-L292 HydrophobicContact CZ-CB 4.15Å; F238-L292 HydrophobicContact CZ-CD1 4.35Å; F238-L292 HydrophobicContact CZ-CD2 4.17Å; F238-L292 HydrophobicContact CZ-CG 4.45Å; V242-L292 HydrophobicContact CG1-CD1 4.49Å; V242-L292 HydrophobicContact CG2-CB 4.28Å; V242-L292 HydrophobicContact CG2-CD1 3.71Å; L257-L292 HydrophobicContact CB-CD1 4Å; L257-L292 HydrophobicContact CB-CD2 4.42Å; L257-L292 HydrophobicContact CD1-CD1 4.37Å; F258-L292 HydrophobicContact CB-CD2 4.45Å; F258-L292 HydrophobicContact CD1-CD2 3.54Å; F258-L292 HydrophobicContact CD1-CG 4.37Å; F258-L292 HydrophobicContact CD2-CD2 4Å; F258-L292 HydrophobicContact CD2-CG 4.5Å; F258-L292 HydrophobicContact CE1-CD2 3.58Å; F258-L292 HydrophobicContact CE1-CG 3.92Å; F258-L292 HydrophobicContact CE2-CD1 4.16Å; F258-L292 HydrophobicContact CE2-CD2 4.02Å; F258-L292 HydrophobicContact CE2-CG 4.05Å; F258-L292 HydrophobicContact CG-CD2 3.75Å; F258-L292 HydrophobicContact CZ-CD1 4.31Å; F258-L292 HydrophobicContact CZ-CD2 3.81Å; F258-L292 HydrophobicContact CZ-CG 3.73Å; A261-L292 HydrophobicContact CB-CD2 4.07Å; M288-L292 WeakPolarHBondContact O-CB 3.34Å; M288-L292 PolarHBondContact O-N 3.09Å; I289-L292 PolarHBondContact O-N 2.85Å; V290-L292 VanDerWaalsContact C-N 3.3Å; V290-L292 PolarHBondContact O-N 3.35Å; L292-H296 WeakPolarHBondContact O-CB 3.47Å; L292-H296 PolarHBondContact O-N 3.38Å
293S97Very high94.2Very high0 Ų033.9 Ų33.90%015%0.148CC..Hα-helixtrans-72.3-40.6-172.3-54.40000112.2I289 V290 S297 T312 L316 F339I289-S293 WeakPolarHBondContact O-CB 3.26Å; I289-S293 PolarHBondContact O-N 3.36Å; I289-S293 PolarHBondContact O-OG 2.75Å; V290-S293 PolarHBondContact O-N 3.05Å; S293-S297 VanDerWaalsContact O-CA 3.3Å; S293-S297 WeakPolarHBondContact O-CA 3.46Å; S293-S297 VanDerWaalsContact O-CB 3.3Å; S293-S297 WeakPolarHBondContact O-CB 3.27Å; S293-S297 PolarHBondContact O-N 3.23Å; S293-T312 WeakPolarHBondContact OG-CG2 3.34Å; S293-L316 WeakPolarHBondContact OG-CD1 3.43Å; S293-F339 VanDerWaalsContact C-CD2 3.47Å; S293-F339 WeakPolarHBondContact O-CD2 3.2Å
294E95.6Very high94.2Very high52 Ų5232.8 Ų32.824%0.24315%0.145CC..Hα-helixtrans-59.2-48.8174.3-73.7171.8172.700111.1V290 S297 E338 F339V290-E294 HydrophobicContact CG1-CG 4.15Å; V290-E294 WeakPolarHBondContact CG1-OE1 3.29Å; V290-E294 WeakPolarHBondContact O-CB 3.49Å; V290-E294 WeakPolarHBondContact O-CG 3.3Å; V290-E294 PolarHBondContact O-N 2.87Å; E294-S297 PolarHBondContact O-OG 3.23Å; E294-E338 HydrophobicContact CG-CB 4.43Å; E294-F339 HydrophobicContact CG-CB 3.73Å
295R95.1Very high94Very high127 Ų12735.6 Ų35.648%0.47917%0.171SC..Hα-helixtrans-73-32-175-175.458.1-178.2154.26.9113.2V242 T291V242-R295 HydrophobicContact CG1-CB 3.74Å; V242-R295 HydrophobicContact CG1-CG 4.02Å; V242-R295 WeakPolarHBondContact O-CG 3.42Å; T291-R295 WeakPolarHBondContact O-CB 3.34Å; T291-R295 PolarHBondContact O-N 3.33Å
296H94.9Very high93.8Very high4 Ų438.5 Ų38.52%0.01918%0.184CC..THydrogen-bonded Turntrans-122.632.5-171.8-62.6-72.6000113V242 L247 D248 L254 L292 G298 F299 M300V242-H296 PolarHBondContact O-NE2 3.24Å; L247-H296 WeakPolarHBondContact CD2-NE2 3.32Å; D248-H296 IonicContact OD1-CE1 2.73Å; D248-H296 PolarHBondContact OD1-CE1 2.84Å; D248-H296 IonicContact OD1-ND1 2.79Å; D248-H296 PolarHBondContact OD1-ND1 3.43Å; D248-H296 VanDerWaalsContact OD1-ND1 3.1Å; L254-H296 HydrophobicContact CD2-CB 4.3Å; L292-H296 WeakPolarHBondContact O-CB 3.47Å; L292-H296 PolarHBondContact O-N 3.38Å; H296-G298 VanDerWaalsContact C-N 3.27Å; H296-G298 PolarHBondContact O-N 3.31Å; H296-F299 HydrophobicContact CB-CB 4.17Å; H296-F299 WeakPolarHBondContact O-CA 3.49Å; H296-F299 VanDerWaalsContact O-CB 3.32Å; H296-F299 WeakPolarHBondContact O-CB 3.31Å; H296-F299 PolarHBondContact O-N 3.03Å; H296-M300 PolarHBondContact O-N 2.94Å
297S94.6Very high93.6Very high6 Ų642.8 Ų42.84%0.04221%0.212CC..Hα-helixtrans-58.3-38.2178.429.30000112S293 E294 F299 M300 L301 D346S293-S297 VanDerWaalsContact O-CA 3.3Å; S293-S297 WeakPolarHBondContact O-CA 3.46Å; S293-S297 VanDerWaalsContact O-CB 3.3Å; S293-S297 WeakPolarHBondContact O-CB 3.27Å; S293-S297 PolarHBondContact O-N 3.23Å; E294-S297 PolarHBondContact O-OG 3.23Å; S297-F299 VanDerWaalsContact C-N 3.31Å; S297-F299 PolarHBondContact O-N 3.4Å; S297-M300 WeakPolarHBondContact O-CB 3.4Å; S297-M300 PolarHBondContact O-N 3.45Å; S297-M300 VanDerWaalsContact O-N 3.12Å; S297-L301 PolarHBondContact O-N 3.32Å; S297-D346 WeakPolarHBondContact CB-OD2 3.31Å; S297-D346 PolarHBondContact OG-OD2 3.25Å
298G92.4Very high93.3Very high17 Ų1741.8 Ų41.818%0.17521%0.208CC..Hα-helixtrans-65.8-30.3174.300000113.8H296 R302 D346H296-G298 VanDerWaalsContact C-N 3.27Å; H296-G298 PolarHBondContact O-N 3.31Å; G298-R302 WeakPolarHBondContact O-CG 3.07Å; G298-R302 PolarHBondContact O-N 2.99Å; G298-D346 WeakPolarHBondContact CA-OD2 3.42Å; G298-D346 PolarHBondContact N-OD2 2.76Å
299F92.8Very high93.2Very high26 Ų2641.6 Ų41.611%0.11421%0.207CC..Hα-helixtrans-68.6-47.6169.5178.5-85.7000110P251 L254 F258 H296 S297 L301 R302 Y303 V309P251-F299 HydrophobicContact CB-CE2 4.3Å; L254-F299 HydrophobicContact CB-CD2 4.19Å; L254-F299 HydrophobicContact CB-CE2 3.89Å; L254-F299 HydrophobicContact CB-CZ 4.07Å; L254-F299 HydrophobicContact CD1-CD2 3.84Å; L254-F299 HydrophobicContact CD1-CE2 4.27Å; L254-F299 HydrophobicContact CD1-CG 4.33Å; F258-F299 AromaticContact CD2-CD1 3.89Å; F258-F299 HydrophobicContact CD2-CD1 3.89Å; F258-F299 AromaticContact CD2-CE1 3.67Å; F258-F299 HydrophobicContact CD2-CE1 3.67Å; F258-F299 AromaticContact CE2-CD1 3.43Å; F258-F299 HydrophobicContact CE2-CD1 3.43Å; F258-F299 VanDerWaalsContact CE2-CD1 3.43Å; F258-F299 AromaticContact CE2-CE1 3.73Å; F258-F299 HydrophobicContact CE2-CE1 3.73Å; F258-F299 HydrophobicContact CE2-CG 4.41Å; F258-F299 HydrophobicContact CZ-CD1 4.24Å; H296-F299 HydrophobicContact CB-CB 4.17Å; H296-F299 WeakPolarHBondContact O-CA 3.49Å; H296-F299 VanDerWaalsContact O-CB 3.32Å; H296-F299 WeakPolarHBondContact O-CB 3.31Å; H296-F299 PolarHBondContact O-N 3.03Å; S297-F299 VanDerWaalsContact C-N 3.31Å; S297-F299 PolarHBondContact O-N 3.4Å; F299-L301 VanDerWaalsContact C-N 3.27Å; F299-L301 PolarHBondContact O-N 2.72Å; F299-R302 PolarHBondContact O-N 2.83Å; F299-R302 VanDerWaalsContact O-N 3.09Å; F299-Y303 HydrophobicContact CD1-CD2 4.03Å; F299-Y303 AromaticContact CD2-CD2 3.7Å; F299-Y303 HydrophobicContact CD2-CD2 3.7Å; F299-Y303 AromaticContact CD2-CE2 3.67Å; F299-Y303 HydrophobicContact CD2-CE2 3.67Å; F299-Y303 AromaticContact CE1-CD2 3.84Å; F299-Y303 HydrophobicContact CE1-CD2 3.84Å; F299-Y303 HydrophobicContact CE1-CG 4.29Å; F299-Y303 AromaticContact CE2-CD2 3.5Å; F299-Y303 HydrophobicContact CE2-CD2 3.5Å; F299-Y303 AromaticContact CE2-CE2 3.38Å; F299-Y303 HydrophobicContact CE2-CE2 3.38Å; F299-Y303 HydrophobicContact CE2-CG 4.45Å; F299-Y303 AromaticContact CG-CD2 3.96Å; F299-Y303 HydrophobicContact CG-CD2 3.96Å; F299-Y303 HydrophobicContact CG-CE2 4.37Å; F299-Y303 AromaticContact CZ-CD2 3.57Å; F299-Y303 HydrophobicContact CZ-CD2 3.57Å; F299-Y303 AromaticContact CZ-CE2 3.87Å; F299-Y303 HydrophobicContact CZ-CE2 3.87Å; F299-Y303 HydrophobicContact CZ-CG 4.13Å; F299-Y303 WeakPolarHBondContact O-CD2 3.38Å; F299-Y303 PolarHBondContact O-N 2.85Å; F299-Y303 VanDerWaalsContact O-N 3.11Å; F299-V309 HydrophobicContact CE1-CG2 4.33Å
300M94Very high93Very high0 Ų043.6 Ų43.60%022%0.224CC..Hα-helixtrans-54.9-45.2177.5-66-176.268.600111.5F258 H296 S297 R302 Y303 L304 V309 T312 L313 L316 F339F258-M300 HydrophobicContact CE1-CE 4.33Å; F258-M300 HydrophobicContact CE1-CG 3.6Å; F258-M300 HydrophobicContact CE1-SD 3.81Å; F258-M300 HydrophobicContact CE2-CG 4.37Å; F258-M300 HydrophobicContact CZ-CG 3.37Å; F258-M300 HydrophobicContact CZ-SD 3.99Å; H296-M300 PolarHBondContact O-N 2.94Å; S297-M300 WeakPolarHBondContact O-CB 3.4Å; S297-M300 PolarHBondContact O-N 3.45Å; S297-M300 VanDerWaalsContact O-N 3.12Å; M300-R302 VanDerWaalsContact C-N 3.29Å; M300-R302 PolarHBondContact O-N 2.89Å; M300-Y303 CarbonylContact O-C 3.6Å; M300-Y303 PolarHBondContact O-N 3.09Å; M300-Y303 VanDerWaalsContact O-N 3.13Å; M300-L304 WeakPolarHBondContact O-CG 3.46Å; M300-L304 PolarHBondContact O-N 3.24Å; M300-V309 HydrophobicContact CB-CG1 3.75Å; M300-V309 HydrophobicContact CE-CG1 4.07Å; M300-V309 HydrophobicContact CG-CG1 4.02Å; M300-T312 HydrophobicContact CE-CG2 3.82Å; M300-T312 HydrophobicContact SD-CG2 4.49Å; M300-L313 HydrophobicContact CE-CB 4.11Å; M300-L313 HydrophobicContact CE-CD1 4.33Å; M300-L316 HydrophobicContact CE-CD1 4.35Å; M300-F339 HydrophobicContact CE-CE2 4.44Å; M300-F339 HydrophobicContact CE-CZ 4.25Å; M300-F339 HydrophobicContact SD-CE2 3.78Å; M300-F339 HydrophobicContact SD-CZ 4.19Å
301L92.2Very high92.8Very high9 Ų946.7 Ų46.75%0.04724%0.24CC..Hα-helixtrans-56.8-41.2178.6-175.460.6000112.8S297 F299 L304 F343 D346 V347 W358 V362S297-L301 PolarHBondContact O-N 3.32Å; F299-L301 VanDerWaalsContact C-N 3.27Å; F299-L301 PolarHBondContact O-N 2.72Å; L301-L304 HydrophobicContact CD1-CD1 3.9Å; L301-F343 HydrophobicContact CB-CE2 3.9Å; L301-F343 HydrophobicContact CD1-CE2 4.03Å; L301-F343 HydrophobicContact CD1-CZ 3.94Å; L301-D346 HydrophobicContact CD2-CB 4.17Å; L301-V347 HydrophobicContact CD1-CG2 3.74Å; L301-V347 HydrophobicContact CD2-CG2 3.95Å; L301-V347 HydrophobicContact CG-CG2 4.5Å; L301-W358 HydrophobicContact CD1-CD2 4.02Å; L301-W358 HydrophobicContact CD1-CE3 3.68Å; L301-W358 HydrophobicContact CD1-CH2 3.86Å; L301-W358 HydrophobicContact CD1-CZ2 4.19Å; L301-W358 HydrophobicContact CD1-CZ3 3.61Å; L301-W358 HydrophobicContact CD2-CH2 3.92Å; L301-W358 HydrophobicContact CD2-CZ2 4.13Å; L301-W358 HydrophobicContact CD2-CZ3 4.47Å; L301-W358 HydrophobicContact CG-CH2 4.13Å; L301-W358 HydrophobicContact CG-CZ2 4.12Å; L301-W358 HydrophobicContact CG-CZ3 4.38Å; L301-V362 HydrophobicContact CD1-CG2 3.93Å
302R89.1Confident92.8Very high199 Ų19945.5 Ų45.575%0.75123%0.233SC*.Hα-helixtrans-72.9-28.8179.9-68.8174.4-169.81716.7113G298 F299 M300G298-R302 WeakPolarHBondContact O-CG 3.07Å; G298-R302 PolarHBondContact O-N 2.99Å; F299-R302 PolarHBondContact O-N 2.83Å; F299-R302 VanDerWaalsContact O-N 3.09Å; M300-R302 VanDerWaalsContact C-N 3.29Å; M300-R302 PolarHBondContact O-N 2.89Å
303Y90.6Very high92.7Very high94 Ų9446 Ų4637%0.36924%0.235SC..THydrogen-bonded Turntrans-115.526.2-174-65.4-80.6000113F299 M300 S305 E306 V309F299-Y303 HydrophobicContact CD1-CD2 4.03Å; F299-Y303 AromaticContact CD2-CD2 3.7Å; F299-Y303 HydrophobicContact CD2-CD2 3.7Å; F299-Y303 AromaticContact CD2-CE2 3.67Å; F299-Y303 HydrophobicContact CD2-CE2 3.67Å; F299-Y303 AromaticContact CE1-CD2 3.84Å; F299-Y303 HydrophobicContact CE1-CD2 3.84Å; F299-Y303 HydrophobicContact CE1-CG 4.29Å; F299-Y303 AromaticContact CE2-CD2 3.5Å; F299-Y303 HydrophobicContact CE2-CD2 3.5Å; F299-Y303 AromaticContact CE2-CE2 3.38Å; F299-Y303 HydrophobicContact CE2-CE2 3.38Å; F299-Y303 HydrophobicContact CE2-CG 4.45Å; F299-Y303 AromaticContact CG-CD2 3.96Å; F299-Y303 HydrophobicContact CG-CD2 3.96Å; F299-Y303 HydrophobicContact CG-CE2 4.37Å; F299-Y303 AromaticContact CZ-CD2 3.57Å; F299-Y303 HydrophobicContact CZ-CD2 3.57Å; F299-Y303 AromaticContact CZ-CE2 3.87Å; F299-Y303 HydrophobicContact CZ-CE2 3.87Å; F299-Y303 HydrophobicContact CZ-CG 4.13Å; F299-Y303 WeakPolarHBondContact O-CD2 3.38Å; F299-Y303 PolarHBondContact O-N 2.85Å; F299-Y303 VanDerWaalsContact O-N 3.11Å; M300-Y303 CarbonylContact O-C 3.6Å; M300-Y303 PolarHBondContact O-N 3.09Å; M300-Y303 VanDerWaalsContact O-N 3.13Å; Y303-S305 PolarHBondContact O-N 2.87Å; Y303-E306 HydrophobicContact CD1-CG 4.14Å; Y303-E306 WeakPolarHBondContact O-CB 3.41Å; Y303-E306 PolarHBondContact O-N 2.82Å; Y303-V309 WeakPolarHBondContact O-CB 3.19Å
304L90.3Very high92.6Very high21 Ų2148.8 Ų48.811%0.1125%0.248CC..THydrogen-bonded Turntrans-53.3-27.8179.8-80.2171.4000114.2M300 L301 E306 V309 L313 F343 W358 V362M300-L304 WeakPolarHBondContact O-CG 3.46Å; M300-L304 PolarHBondContact O-N 3.24Å; L301-L304 HydrophobicContact CD1-CD1 3.9Å; L304-E306 VanDerWaalsContact C-N 3.33Å; L304-V309 HydrophobicContact CD2-CG1 4.5Å; L304-L313 HydrophobicContact CD2-CD2 3.73Å; L304-F343 HydrophobicContact CD1-CZ 4.44Å; L304-F343 HydrophobicContact CD2-CZ 4.23Å; L304-W358 HydrophobicContact CD1-CB 3.9Å; L304-W358 HydrophobicContact CD1-CG 4.43Å; L304-V362 HydrophobicContact CD1-CG2 3.71Å
305S87.9Confident92.5Very high111 Ų11146.7 Ų46.778%0.77624%0.239SC*.THydrogen-bonded Turntrans-78.2-13.7177.957.20000114.4Y303Y303-S305 PolarHBondContact O-N 2.87Å
306E90.5Very high92.6Very high63 Ų6340.7 Ų40.729%0.29422%0.217SC..SBendtrans-75.4132.1177.3-67.6-71.8144.500109.8K255 Y303 L304 C308 V309 A310K255-E306 IonicContact NZ-OE2 3.62Å; K255-E306 PolarHBondContact NZ-OE2 3.39Å; Y303-E306 HydrophobicContact CD1-CG 4.14Å; Y303-E306 WeakPolarHBondContact O-CB 3.41Å; Y303-E306 PolarHBondContact O-N 2.82Å; L304-E306 VanDerWaalsContact C-N 3.33Å; E306-C308 VanDerWaalsContact C-N 3.31Å; E306-C308 PolarHBondContact O-N 3.45Å; E306-V309 HydrophobicContact CB-CG2 4.39Å; E306-V309 PolarHBondContact O-N 2.86Å; E306-V309 VanDerWaalsContact O-N 3.1Å; E306-A310 PolarHBondContact O-N 3.41Å
307P90.6Very high92.7Very high90 Ų9040.7 Ų40.758%0.58422%0.217SC*.Hα-helixtrans-54.4-42.2-176.1-28.434.8000114V309 A310 D311P307-V309 VanDerWaalsContact C-N 3.32Å; P307-V309 PolarHBondContact O-N 3.18Å; P307-A310 PolarHBondContact O-N 3.07Å; P307-D311 VanDerWaalsContact O-CB 3.26Å; P307-D311 WeakPolarHBondContact O-CB 3.48Å; P307-D311 PolarHBondContact O-N 3.35Å
308C90.3Very high92.6Very high18 Ų1844.8 Ų44.812%0.12223%0.234CC..Hα-helixtrans-63.4-35.3-179.257.40000113.2F258 E259 E306 T312F258-C308 HydrophobicContact CB-CB 4.2Å; E259-C308 HydrophobicContact CG-CB 4.25Å; E306-C308 VanDerWaalsContact C-N 3.31Å; E306-C308 PolarHBondContact O-N 3.45Å; C308-T312 WeakPolarHBondContact O-CB 3.28Å; C308-T312 PolarHBondContact O-N 3.35Å; C308-T312 VanDerWaalsContact O-N 3.15Å; C308-T312 PolarHBondContact O-OG1 2.62Å
309V93Very high92.7Very high1 Ų144.2 Ų44.21%0.00623%0.227CC..Hα-helixtrans-75.1-44.4176.9174.60000110.4F258 F299 M300 Y303 L304 E306 P307 D311 T312 L313F258-V309 HydrophobicContact CD1-CG2 4.32Å; F258-V309 HydrophobicContact CG-CG2 4.3Å; F299-V309 HydrophobicContact CE1-CG2 4.33Å; M300-V309 HydrophobicContact CB-CG1 3.75Å; M300-V309 HydrophobicContact CE-CG1 4.07Å; M300-V309 HydrophobicContact CG-CG1 4.02Å; Y303-V309 WeakPolarHBondContact O-CB 3.19Å; L304-V309 HydrophobicContact CD2-CG1 4.5Å; E306-V309 HydrophobicContact CB-CG2 4.39Å; E306-V309 PolarHBondContact O-N 2.86Å; E306-V309 VanDerWaalsContact O-N 3.1Å; P307-V309 VanDerWaalsContact C-N 3.32Å; P307-V309 PolarHBondContact O-N 3.18Å; V309-D311 VanDerWaalsContact C-N 3.33Å; V309-D311 PolarHBondContact O-N 3.28Å; V309-T312 WeakPolarHBondContact O-CB 3.44Å; V309-T312 PolarHBondContact O-N 3.12Å; V309-L313 PolarHBondContact O-N 2.79Å
310A92.1Very high92.9Very high44 Ų4443 Ų4336%0.36422%0.222SC..Hα-helixtrans-60.2-43.517700000111.8E306 P307 T312 L313 E314E306-A310 PolarHBondContact O-N 3.41Å; P307-A310 PolarHBondContact O-N 3.07Å; A310-T312 VanDerWaalsContact C-N 3.32Å; A310-T312 PolarHBondContact O-N 3.27Å; A310-L313 PolarHBondContact O-N 2.79Å; A310-E314 WeakPolarHBondContact O-CB 3.45Å; A310-E314 PolarHBondContact O-N 3.23Å
311D92.6Very high92.9Very high71 Ų7145.2 Ų45.238%0.3823%0.232SC..Hα-helixtrans-62.1-38.6175-88-39.4000112.8R265 P307 V309 T315R265-D311 IonicContact CZ-OD1 2.9Å; R265-D311 VanDerWaalsContact NH1-CB 3.29Å; R265-D311 IonicContact NH1-OD1 3.61Å; R265-D311 PolarHBondContact NH1-OD1 2.91Å; R265-D311 IonicContact NH1-OD2 3.8Å; R265-D311 IonicContact NH2-OD1 3.47Å; P307-D311 VanDerWaalsContact O-CB 3.26Å; P307-D311 WeakPolarHBondContact O-CB 3.48Å; P307-D311 PolarHBondContact O-N 3.35Å; V309-D311 VanDerWaalsContact C-N 3.33Å; V309-D311 PolarHBondContact O-N 3.28Å; D311-T315 PolarHBondContact O-N 3.42Å; D311-T315 PolarHBondContact O-OG1 3.25Å
312T95.5Very high92.9Very high3 Ų345.4 Ų45.42%0.01824%0.235CC..Hα-helixtrans-65.7-47176-620000110.6F258 I289 S293 M300 C308 V309 A310 E314 T315 L316F258-T312 HydrophobicContact CD1-CG2 4.25Å; F258-T312 HydrophobicContact CE1-CG2 4.04Å; I289-T312 HydrophobicContact CG2-CG2 3.81Å; S293-T312 WeakPolarHBondContact OG-CG2 3.34Å; M300-T312 HydrophobicContact CE-CG2 3.82Å; M300-T312 HydrophobicContact SD-CG2 4.49Å; C308-T312 WeakPolarHBondContact O-CB 3.28Å; C308-T312 PolarHBondContact O-N 3.35Å; C308-T312 VanDerWaalsContact O-N 3.15Å; C308-T312 PolarHBondContact O-OG1 2.62Å; V309-T312 WeakPolarHBondContact O-CB 3.44Å; V309-T312 PolarHBondContact O-N 3.12Å; A310-T312 VanDerWaalsContact C-N 3.32Å; A310-T312 PolarHBondContact O-N 3.27Å; T312-E314 VanDerWaalsContact C-N 3.33Å; T312-E314 PolarHBondContact O-N 2.93Å; T312-T315 VanDerWaalsContact O-CB 3.32Å; T312-T315 WeakPolarHBondContact O-CB 3.46Å; T312-T315 PolarHBondContact O-N 2.91Å; T312-T315 VanDerWaalsContact O-N 3.07Å; T312-L316 HydrophobicContact CG2-CD1 4.27Å; T312-L316 WeakPolarHBondContact O-CG 3.2Å; T312-L316 PolarHBondContact O-N 3.18Å
313L95.1Very high93Very high10 Ų1041.7 Ų41.75%0.05224%0.236CC..Hα-helixtrans-61.8-41177.5-169.864.1000112.2M300 L304 V309 A310 T315 L316 L317 F339 W340 V365M300-L313 HydrophobicContact CE-CB 4.11Å; M300-L313 HydrophobicContact CE-CD1 4.33Å; L304-L313 HydrophobicContact CD2-CD2 3.73Å; V309-L313 PolarHBondContact O-N 2.79Å; A310-L313 PolarHBondContact O-N 2.79Å; L313-T315 VanDerWaalsContact C-N 3.28Å; L313-T315 PolarHBondContact O-N 2.86Å; L313-L316 PolarHBondContact O-N 3.19Å; L313-L317 PolarHBondContact O-N 3.44Å; L313-F339 HydrophobicContact CD1-CE1 3.87Å; L313-F339 HydrophobicContact CD1-CZ 3.71Å; L313-W340 HydrophobicContact CD1-CH2 3.86Å; L313-W340 HydrophobicContact CD1-CZ3 3.86Å; L313-V365 HydrophobicContact CD1-CG1 4.35Å; L313-V365 HydrophobicContact CD2-CG1 4.23Å; L313-V365 HydrophobicContact CD2-CG2 3.65Å; L313-V365 HydrophobicContact CG-CG1 4.4Å; L313-V365 HydrophobicContact CG-CG2 4.4Å
314E94.6Very high92.9Very high58 Ų5839 Ų3927%0.27124%0.237SC..Hα-helixtrans-61.5-37.8173.9-179.456.1-146.600111.8A310 T312 L317 K318 R368A310-E314 WeakPolarHBondContact O-CB 3.45Å; A310-E314 PolarHBondContact O-N 3.23Å; T312-E314 VanDerWaalsContact C-N 3.33Å; T312-E314 PolarHBondContact O-N 2.93Å; E314-L317 PolarHBondContact O-N 2.86Å; E314-K318 WeakPolarHBondContact O-CG 3.5Å; E314-K318 PolarHBondContact O-N 2.86Å; E314-R368 IonicContact OE1-CZ 3.71Å; E314-R368 IonicContact OE1-NH1 3.26Å; E314-R368 PolarHBondContact OE1-NH1 3.17Å; E314-R368 IonicContact OE1-NH2 3.37Å; E314-R368 PolarHBondContact OE1-NH2 3.02Å; E314-R368 IonicContact OE2-CZ 2.62Å; E314-R368 IonicContact OE2-NH1 3.82Å; E314-R368 PolarHBondContact OE2-NH1 3.12Å
315T95Very high92.8Very high9 Ų939 Ų396%0.05524%0.241CC..Hα-helixtrans-64.6-44.3176.9-54.90000111.4R265 L269 I286 I289 D311 T312 L313 L317 K318 V319R265-T315 WeakPolarHBondContact CD-OG1 3.36Å; R265-T315 HydrophobicContact CG-CG2 4.36Å; R265-T315 PolarHBondContact NE-OG1 3.36Å; L269-T315 HydrophobicContact CD1-CG2 4.15Å; I286-T315 HydrophobicContact CD1-CG2 3.86Å; I289-T315 HydrophobicContact CD1-CG2 4.28Å; D311-T315 PolarHBondContact O-N 3.42Å; D311-T315 PolarHBondContact O-OG1 3.25Å; T312-T315 VanDerWaalsContact O-CB 3.32Å; T312-T315 WeakPolarHBondContact O-CB 3.46Å; T312-T315 PolarHBondContact O-N 2.91Å; T312-T315 VanDerWaalsContact O-N 3.07Å; L313-T315 VanDerWaalsContact C-N 3.28Å; L313-T315 PolarHBondContact O-N 2.86Å; T315-L317 VanDerWaalsContact C-N 3.32Å; T315-L317 PolarHBondContact O-N 3.34Å; T315-K318 PolarHBondContact O-N 2.86Å; T315-V319 WeakPolarHBondContact O-CG2 3.36Å; T315-V319 PolarHBondContact O-N 2.69Å
316L96.6Very high93.1Very high0 Ų035 Ų350%021%0.209CC..Hα-helixtrans-63.7-37.9178-63.9164.4000111.7I289 V290 S293 M300 T312 L313 V319 T320 F339 W340I289-L316 HydrophobicContact CG2-CD2 4.22Å; I289-L316 HydrophobicContact CG2-CG 4.5Å; V290-L316 HydrophobicContact CG2-CD2 3.84Å; S293-L316 WeakPolarHBondContact OG-CD1 3.43Å; M300-L316 HydrophobicContact CE-CD1 4.35Å; T312-L316 HydrophobicContact CG2-CD1 4.27Å; T312-L316 WeakPolarHBondContact O-CG 3.2Å; T312-L316 PolarHBondContact O-N 3.18Å; L313-L316 PolarHBondContact O-N 3.19Å; L316-V319 PolarHBondContact O-N 3.32Å; L316-T320 PolarHBondContact O-N 2.94Å; L316-T320 PolarHBondContact O-OG1 2.91Å; L316-F339 HydrophobicContact CB-CD1 4.26Å; L316-F339 HydrophobicContact CB-CE1 4.17Å; L316-F339 HydrophobicContact CD1-CD1 3.57Å; L316-F339 HydrophobicContact CD1-CD2 4.19Å; L316-F339 HydrophobicContact CD1-CE1 3.33Å; L316-F339 HydrophobicContact CD1-CE2 4.01Å; L316-F339 HydrophobicContact CD1-CG 3.97Å; L316-F339 HydrophobicContact CD1-CZ 3.58Å; L316-F339 HydrophobicContact CD2-CD1 4.49Å; L316-F339 HydrophobicContact CG-CD1 4.31Å; L316-F339 HydrophobicContact CG-CE1 4.31Å; L316-W340 HydrophobicContact CB-CH2 4.35Å; L316-W340 HydrophobicContact CB-CZ2 3.98Å
317L96.1Very high93.1Very high5 Ų532.3 Ų32.33%0.02620%0.196CC..Hα-helixtrans-62.3-48.4171.9-75.7167000111.3L313 E314 T315 V319 T320 E321 W340 V365 R368 L369L313-L317 PolarHBondContact O-N 3.44Å; E314-L317 PolarHBondContact O-N 2.86Å; T315-L317 VanDerWaalsContact C-N 3.32Å; T315-L317 PolarHBondContact O-N 3.34Å; L317-V319 VanDerWaalsContact C-N 3.29Å; L317-V319 PolarHBondContact O-N 2.79Å; L317-T320 PolarHBondContact O-N 3.07Å; L317-T320 VanDerWaalsContact O-N 3.16Å; L317-E321 WeakPolarHBondContact O-CB 3.46Å; L317-E321 VanDerWaalsContact O-CG 3.28Å; L317-E321 WeakPolarHBondContact O-CG 3.27Å; L317-E321 PolarHBondContact O-N 3.45Å; L317-W340 HydrophobicContact CD2-CH2 3.61Å; L317-W340 HydrophobicContact CD2-CZ2 3.71Å; L317-W340 HydrophobicContact CG-CH2 3.69Å; L317-W340 HydrophobicContact CG-CZ2 3.94Å; L317-V365 HydrophobicContact CD1-CG1 4.33Å; L317-V365 HydrophobicContact CD2-CG1 4.44Å; L317-R368 HydrophobicContact CD2-CB 4.46Å; L317-R368 HydrophobicContact CD2-CG 4.27Å; L317-L369 HydrophobicContact CD2-CB 4.35Å
318K93.7Very high93Very high92 Ų9231.6 Ų31.640%0.419%0.188SC..Hα-helixtrans-59.3-38.6177.8-75.1-175176.8-167.30112.7E271 E314 T315 E321 A322E271-K318 IonicContact OE1-NZ 2.71Å; E314-K318 WeakPolarHBondContact O-CG 3.5Å; E314-K318 PolarHBondContact O-N 2.86Å; T315-K318 PolarHBondContact O-N 2.86Å; K318-E321 CarbonylContact O-C 3.09Å; K318-E321 PolarHBondContact O-N 2.83Å; K318-A322 PolarHBondContact O-N 3.39Å
319V94.5Very high92.9Very high5 Ų535.2 Ų35.23%0.0321%0.206CC..Hα-helixtrans-63.4-47.5174.4165.90000111.4I275 I286 T315 L316 L317 E321 A322 V332 S333 I335 A336I275-V319 HydrophobicContact CD1-CG2 4.29Å; I286-V319 HydrophobicContact CD1-CG2 3.5Å; I286-V319 HydrophobicContact CG1-CG2 3.77Å; T315-V319 WeakPolarHBondContact O-CG2 3.36Å; T315-V319 PolarHBondContact O-N 2.69Å; L316-V319 PolarHBondContact O-N 3.32Å; L317-V319 VanDerWaalsContact C-N 3.29Å; L317-V319 PolarHBondContact O-N 2.79Å; V319-E321 PolarHBondContact O-N 2.7Å; V319-A322 VanDerWaalsContact O-CB 3.24Å; V319-A322 WeakPolarHBondContact O-CB 3.43Å; V319-A322 PolarHBondContact O-N 2.61Å; V319-A322 VanDerWaalsContact O-N 3.08Å; V319-V332 HydrophobicContact CG1-CG2 3.99Å; V319-V332 WeakPolarHBondContact CG1-O 3.31Å; V319-S333 WeakPolarHBondContact O-CA 3.49Å; V319-I335 HydrophobicContact CG1-CD1 4.02Å; V319-I335 HydrophobicContact CG1-CG1 3.85Å; V319-A336 HydrophobicContact CG1-CB 4.32Å
320T96.1Very high92.8Very high0 Ų036 Ų360%021%0.209CC..Hα-helixtrans-61.7-33176.9-47.70000111.2L316 L317 A322 A336 W340 L369 A372 L373 K376L316-T320 PolarHBondContact O-N 2.94Å; L316-T320 PolarHBondContact O-OG1 2.91Å; L317-T320 PolarHBondContact O-N 3.07Å; L317-T320 VanDerWaalsContact O-N 3.16Å; T320-A322 VanDerWaalsContact C-N 3.33Å; T320-A336 WeakPolarHBondContact OG1-CB 3.46Å; T320-W340 PolarHBondContact OG1-NE1 2.94Å; T320-L369 HydrophobicContact CG2-CD1 3.86Å; T320-A372 HydrophobicContact CG2-CB 4.28Å; T320-L373 HydrophobicContact CG2-CD2 4.34Å; T320-K376 WeakPolarHBondContact O-CE 3.44Å
321E94.8Very high92.8Very high47 Ų4740 Ų4022%0.2222%0.215CC..THydrogen-bonded Turntrans-879.5177.6-69.9179.5156.800114.7L317 K318 V319 R368 A372 R375L317-E321 WeakPolarHBondContact O-CB 3.46Å; L317-E321 VanDerWaalsContact O-CG 3.28Å; L317-E321 WeakPolarHBondContact O-CG 3.27Å; L317-E321 PolarHBondContact O-N 3.45Å; K318-E321 CarbonylContact O-C 3.09Å; K318-E321 PolarHBondContact O-N 2.83Å; V319-E321 PolarHBondContact O-N 2.7Å; E321-R368 WeakPolarHBondContact OE1-CG 3.41Å; E321-R368 IonicContact OE1-CZ 3.29Å; E321-R368 IonicContact OE1-NE 2.65Å; E321-R368 PolarHBondContact OE1-NE 3.05Å; E321-R368 IonicContact OE1-NH2 2.69Å; E321-R368 IonicContact OE2-CZ 3.71Å; E321-R368 VanDerWaalsContact OE2-CZ 3.28Å; E321-R368 IonicContact OE2-NE 3.92Å; E321-R368 PolarHBondContact OE2-NE 3.12Å; E321-R368 VanDerWaalsContact OE2-NE 3.09Å; E321-R368 IonicContact OE2-NH2 3.77Å; E321-R368 PolarHBondContact OE2-NH2 3.07Å; E321-A372 HydrophobicContact CG-CB 3.55Å; E321-R375 IonicContact OE1-NH2 3.94Å
322A92.4Very high92.8Very high13 Ų1337 Ų3711%0.10720%0.199CC..  trans-46.9137.4-179.200000110.9K318 V319 T320 V332 K376K318-A322 PolarHBondContact O-N 3.39Å; V319-A322 VanDerWaalsContact O-CB 3.24Å; V319-A322 WeakPolarHBondContact O-CB 3.43Å; V319-A322 PolarHBondContact O-N 2.61Å; V319-A322 VanDerWaalsContact O-N 3.08Å; T320-A322 VanDerWaalsContact C-N 3.33Å; A322-V332 HydrophobicContact CB-CG1 3.49Å; A322-V332 VanDerWaalsContact CB-CG1 3.49Å; A322-K376 WeakPolarHBondContact O-CE 3.41Å; A322-K376 PolarHBondContact O-NZ 3.25Å
323P90Very high92.8Very high120 Ų12036.9 Ų36.978%0.77920%0.198SC*.SBendtrans-67.6149.7-179.828.2-34.2000111.3E330P323-E330 WeakPolarHBondContact O-CG 3.45Å
324G89Confident92.7Very high37 Ų3738.5 Ų38.538%0.38121%0.208SC..SBendtrans98.5169.3178.800000114.7D329 K376G324-D329 WeakPolarHBondContact CA-OD2 3.46Å; G324-K376 PolarHBondContact O-NZ 3.17Å
325A89.3Confident92.7Very high23 Ų2337.1 Ų37.119%0.1920%0.203CC..  trans-95.4126.8178.400000111.8L328 D329 L383A325-L328 PolarHBondContact O-N 3.49Å; A325-D329 PolarHBondContact N-OD2 3.34Å; A325-D329 PolarHBondContact O-N 3.06Å; A325-L383 HydrophobicContact CB-CD2 4.35Å
326Y92.8Very high92.8Very high27 Ų2736.7 Ų36.711%0.10620%0.2CC..THydrogen-bonded Turntrans-70.5140.2168.5-175.2-84.5000110.4E330 R331 V334 L383 D394 F395 Y398Y326-E330 WeakPolarHBondContact CA-O 3.46Å; Y326-E330 WeakPolarHBondContact CD2-O 3.41Å; Y326-R331 HydrophobicContact CE2-CB 4.19Å; Y326-R331 HydrophobicContact CE2-CG 4.32Å; Y326-V334 HydrophobicContact CE2-CB 4.04Å; Y326-V334 HydrophobicContact CE2-CG1 3.81Å; Y326-L383 WeakPolarHBondContact O-CD2 3.36Å; Y326-D394 HydrophobicContact CE1-CB 4.2Å; Y326-F395 VanDerWaalsContact O-CD2 3.29Å; Y326-F395 WeakPolarHBondContact O-CD2 3.43Å; Y326-Y398 VanDerWaalsContact CD1-CB 3.43Å; Y326-Y398 AromaticContact CD1-CD1 3.89Å; Y326-Y398 HydrophobicContact CD1-CD1 3.89Å; Y326-Y398 AromaticContact CD1-CD2 3.63Å; Y326-Y398 HydrophobicContact CD1-CD2 3.63Å; Y326-Y398 HydrophobicContact CD1-CE2 4.34Å; Y326-Y398 AromaticContact CD1-CG 3.36Å; Y326-Y398 HydrophobicContact CD1-CG 3.36Å; Y326-Y398 HydrophobicContact CD2-CD2 4.04Å; Y326-Y398 HydrophobicContact CD2-CE2 4.15Å; Y326-Y398 VanDerWaalsContact CE1-CB 3.46Å; Y326-Y398 AromaticContact CE1-CD2 3.9Å; Y326-Y398 HydrophobicContact CE1-CD2 3.9Å; Y326-Y398 AromaticContact CE1-CG 3.8Å; Y326-Y398 HydrophobicContact CE1-CG 3.8Å; Y326-Y398 HydrophobicContact CE2-CD2 4.27Å; Y326-Y398 HydrophobicContact CG-CD1 4.16Å; Y326-Y398 AromaticContact CG-CD2 3.72Å; Y326-Y398 HydrophobicContact CG-CD2 3.72Å; Y326-Y398 HydrophobicContact CG-CE1 4.4Å; Y326-Y398 AromaticContact CG-CE2 3.97Å; Y326-Y398 HydrophobicContact CG-CE2 3.97Å; Y326-Y398 AromaticContact CG-CG 3.81Å; Y326-Y398 HydrophobicContact CG-CG 3.81Å
327P91.3Very high92.8Very high5 Ų537 Ų373%0.03220%0.201CC..THydrogen-bonded Turncis-94.411.6-5.237.1-36.9000113.9C391 D394P327-C391 HydrophobicContact CG-CB 3.99Å; P327-C391 WeakPolarHBondContact CG-O 3.47Å; P327-D394 HydrophobicContact CB-CB 4.21Å; P327-D394 HydrophobicContact CG-CB 4.02Å
328L88.5Confident92.8Very high76 Ų7643.7 Ų43.740%0.39823%0.233SC..THydrogen-bonded Turntrans-78.2-55.2-169.9-66.5179.9000112.9A325 Q382 L383 I386A325-L328 PolarHBondContact O-N 3.49Å; L328-Q382 HydrophobicContact CD1-CB 4.49Å; L328-L383 HydrophobicContact CD1-CD2 3.96Å; L328-L383 HydrophobicContact CG-CD2 4.25Å; L328-I386 HydrophobicContact CD1-CD1 3.89Å; L328-I386 HydrophobicContact CD1-CG1 3.96Å; L328-I386 HydrophobicContact CD2-CD1 3.82Å; L328-I386 HydrophobicContact CD2-CG1 3.99Å; L328-I386 HydrophobicContact CG-CD1 3.9Å; L328-I386 HydrophobicContact CG-CG1 4.33Å
329D88.2Confident93Very high94 Ų9439.3 Ų39.350%0.50321%0.214SC..THydrogen-bonded Turntrans-93.3-30-174.3-55.7-43.4000111.6G324 A325G324-D329 WeakPolarHBondContact CA-OD2 3.46Å; A325-D329 PolarHBondContact N-OD2 3.34Å; A325-D329 PolarHBondContact O-N 3.06Å
330E91.2Very high93.1Very high18 Ų1839 Ų398%0.08421%0.212CC..  trans-149.2151.9-176.167.883.4-169.500111.6P323 Y326 V332 S333 K376P323-E330 WeakPolarHBondContact O-CG 3.45Å; Y326-E330 WeakPolarHBondContact CA-O 3.46Å; Y326-E330 WeakPolarHBondContact CD2-O 3.41Å; E330-V332 PolarHBondContact OE2-N 3.4Å; E330-S333 VanDerWaalsContact OE1-CB 3.29Å; E330-S333 WeakPolarHBondContact OE1-CB 3.36Å; E330-S333 PolarHBondContact OE1-OG 2.8Å; E330-S333 WeakPolarHBondContact OE2-CB 3.32Å; E330-S333 PolarHBondContact OE2-N 3.49Å; E330-S333 PolarHBondContact OE2-OG 2.99Å; E330-K376 VanDerWaalsContact CD-NZ 3.33Å; E330-K376 IonicContact OE1-NZ 3.1Å; E330-K376 PolarHBondContact OE1-NZ 2.87Å
331R91.5Very high93Very high127 Ų12744 Ų4448%0.47923%0.234SC..SBendtrans-127.910.2177.2-66.3-171.5177-143.72.8113.7Y326 D394Y326-R331 HydrophobicContact CE2-CB 4.19Å; Y326-R331 HydrophobicContact CE2-CG 4.32Å; R331-D394 IonicContact NH1-OD2 2.81Å
332V92.8Very high93.1Very high8 Ų843 Ų435%0.04823%0.233CC..SBendtrans-92.5-31.4-171.6730000111.6I275 W283 V319 A322 E330 V334 I335I275-V332 HydrophobicContact CB-CG2 3.92Å; I275-V332 HydrophobicContact CG2-CB 4.49Å; I275-V332 HydrophobicContact CG2-CG2 3.54Å; W283-V332 HydrophobicContact CZ3-CG2 4.5Å; V319-V332 HydrophobicContact CG1-CG2 3.99Å; V319-V332 WeakPolarHBondContact CG1-O 3.31Å; A322-V332 HydrophobicContact CB-CG1 3.49Å; A322-V332 VanDerWaalsContact CB-CG1 3.49Å; E330-V332 PolarHBondContact OE2-N 3.4Å; V332-V334 PolarHBondContact O-N 3.36Å; V332-V334 VanDerWaalsContact O-N 3.11Å; V332-I335 HydrophobicContact CG2-CD1 3.63Å; V332-I335 HydrophobicContact CG2-CG1 4.49Å; V332-I335 WeakPolarHBondContact O-CG1 3.1Å; V332-I335 PolarHBondContact O-N 2.98Å; V332-I335 VanDerWaalsContact O-N 3.14Å
333S94.5Very high93.2Very high0 Ų042.4 Ų42.40%023%0.228CC..G310 helixtrans-58.9-32.8-172.762.90000114V319 E330 I335 Y398V319-S333 WeakPolarHBondContact O-CA 3.49Å; E330-S333 VanDerWaalsContact OE1-CB 3.29Å; E330-S333 WeakPolarHBondContact OE1-CB 3.36Å; E330-S333 PolarHBondContact OE1-OG 2.8Å; E330-S333 WeakPolarHBondContact OE2-CB 3.32Å; E330-S333 PolarHBondContact OE2-N 3.49Å; E330-S333 PolarHBondContact OE2-OG 2.99Å; S333-I335 VanDerWaalsContact C-N 3.27Å; S333-I335 PolarHBondContact O-N 3.46Å; S333-Y398 WeakPolarHBondContact OG-CE2 3.32Å; S333-Y398 PolarHBondContact OG-OH 3.32Å
334V94.9Very high93.5Very high44 Ų4438.3 Ų38.327%0.26720%0.198SC..G310 helixtrans-63.8-28.6-178.870.70000113.5Y326 V332 A336 H337 Y398Y326-V334 HydrophobicContact CE2-CB 4.04Å; Y326-V334 HydrophobicContact CE2-CG1 3.81Å; V332-V334 PolarHBondContact O-N 3.36Å; V332-V334 VanDerWaalsContact O-N 3.11Å; V334-A336 PolarHBondContact O-N 3.36Å; V334-A336 VanDerWaalsContact O-N 3.13Å; V334-H337 WeakPolarHBondContact O-CB 3.5Å; V334-H337 PolarHBondContact O-N 3.44Å; V334-H337 VanDerWaalsContact O-N 3.09Å; V334-Y398 HydrophobicContact CB-CD2 3.69Å; V334-Y398 HydrophobicContact CB-CE2 3.75Å; V334-Y398 HydrophobicContact CG2-CD2 3.74Å; V334-Y398 HydrophobicContact CG2-CE2 4.18Å
335I94.1Very high93.8Very high30 Ų3038.3 Ų38.315%0.15419%0.192CC..G310 helixtrans-67.4-20.1-171.476.2-170.8000112.6W283 I286 V290 V319 V332 S333W283-I335 HydrophobicContact CH2-CG2 4.24Å; I286-I335 HydrophobicContact CB-CD1 4.36Å; I286-I335 HydrophobicContact CG1-CD1 3.7Å; I286-I335 HydrophobicContact CG2-CD1 3.7Å; V290-I335 WeakPolarHBondContact CG1-O 3.26Å; V290-I335 HydrophobicContact CG2-CD1 4.1Å; V290-I335 HydrophobicContact CG2-CG1 3.89Å; V319-I335 HydrophobicContact CG1-CD1 4.02Å; V319-I335 HydrophobicContact CG1-CG1 3.85Å; V332-I335 HydrophobicContact CG2-CD1 3.63Å; V332-I335 HydrophobicContact CG2-CG1 4.49Å; V332-I335 WeakPolarHBondContact O-CG1 3.1Å; V332-I335 PolarHBondContact O-N 2.98Å; V332-I335 VanDerWaalsContact O-N 3.14Å; S333-I335 VanDerWaalsContact C-N 3.27Å; S333-I335 PolarHBondContact O-N 3.46Å
336A95.8Very high94Very high0 Ų039.1 Ų39.10%019%0.193CC..G310 helixtrans-88.5-5.917900000113.4V319 T320 V334 F339 W340V319-A336 HydrophobicContact CG1-CB 4.32Å; T320-A336 WeakPolarHBondContact OG1-CB 3.46Å; V334-A336 PolarHBondContact O-N 3.36Å; V334-A336 VanDerWaalsContact O-N 3.13Å; A336-F339 WeakPolarHBondContact O-CB 3.41Å; A336-F339 PolarHBondContact O-N 3.1Å; A336-W340 PolarHBondContact O-N 3.49Å; A336-W340 VanDerWaalsContact O-N 3.15Å
337H96.8Very high94.1Very high5 Ų537.9 Ų37.92%0.02319%0.188CC..Hα-helixtrans-67.3-39.5-171.8-75.6-165.1000113.6V334 F339 W340 F341 Y398 S401 N405V334-H337 WeakPolarHBondContact O-CB 3.5Å; V334-H337 PolarHBondContact O-N 3.44Å; V334-H337 VanDerWaalsContact O-N 3.09Å; H337-F339 VanDerWaalsContact C-N 3.31Å; H337-F339 PolarHBondContact O-N 3.24Å; H337-W340 PolarHBondContact O-N 2.8Å; H337-F341 PolarHBondContact O-N 3.01Å; H337-Y398 AromaticContact CE1-CD2 3.94Å; H337-Y398 AromaticContact CE1-CE2 3.47Å; H337-Y398 VanDerWaalsContact CE1-CE2 3.47Å; H337-Y398 WeakPolarHBondContact CE1-CE2 3.28Å; H337-Y398 AromaticContact CE1-CZ 3.89Å; H337-Y398 AromaticContact NE2-CE2 3.82Å; H337-S401 WeakPolarHBondContact CB-OG 3.45Å; H337-S401 WeakPolarHBondContact ND1-CB 3.36Å; H337-S401 PolarHBondContact ND1-OG 3.3Å; H337-N405 PolarHBondContact O-OD1 3.15Å
338E96.5Very high94.1Very high146 Ų14640.2 Ų40.268%0.68220%0.202SC*.Hα-helixtrans-65.7-37.8177.1-68.7-170.7-17800111.2E294 W340 F341 A342E294-E338 HydrophobicContact CG-CB 4.43Å; E338-W340 PolarHBondContact O-N 3.19Å; E338-F341 PolarHBondContact O-N 3.02Å; E338-A342 WeakPolarHBondContact O-CB 3.21Å; E338-A342 PolarHBondContact O-N 3.16Å
339F97.3Very high94.1Very high0 Ų043.4 Ų43.40%022%0.215CC..Hα-helixtrans-57.7-48.3172.5163.4-106.2000112S293 E294 M300 L313 L316 A336 H337 F341 A342 F343S293-F339 VanDerWaalsContact C-CD2 3.47Å; S293-F339 WeakPolarHBondContact O-CD2 3.2Å; E294-F339 HydrophobicContact CG-CB 3.73Å; M300-F339 HydrophobicContact CE-CE2 4.44Å; M300-F339 HydrophobicContact CE-CZ 4.25Å; M300-F339 HydrophobicContact SD-CE2 3.78Å; M300-F339 HydrophobicContact SD-CZ 4.19Å; L313-F339 HydrophobicContact CD1-CE1 3.87Å; L313-F339 HydrophobicContact CD1-CZ 3.71Å; L316-F339 HydrophobicContact CB-CD1 4.26Å; L316-F339 HydrophobicContact CB-CE1 4.17Å; L316-F339 HydrophobicContact CD1-CD1 3.57Å; L316-F339 HydrophobicContact CD1-CD2 4.19Å; L316-F339 HydrophobicContact CD1-CE1 3.33Å; L316-F339 HydrophobicContact CD1-CE2 4.01Å; L316-F339 HydrophobicContact CD1-CG 3.97Å; L316-F339 HydrophobicContact CD1-CZ 3.58Å; L316-F339 HydrophobicContact CD2-CD1 4.49Å; L316-F339 HydrophobicContact CG-CD1 4.31Å; L316-F339 HydrophobicContact CG-CE1 4.31Å; A336-F339 WeakPolarHBondContact O-CB 3.41Å; A336-F339 PolarHBondContact O-N 3.1Å; H337-F339 VanDerWaalsContact C-N 3.31Å; H337-F339 PolarHBondContact O-N 3.24Å; F339-F341 VanDerWaalsContact C-N 3.26Å; F339-F341 PolarHBondContact O-N 2.91Å; F339-A342 PolarHBondContact O-N 3.12Å; F339-A342 VanDerWaalsContact O-N 3.17Å; F339-F343 HydrophobicContact CD2-CB 4.46Å; F339-F343 HydrophobicContact CE2-CB 3.97Å; F339-F343 HydrophobicContact CE2-CD2 4.32Å; F339-F343 HydrophobicContact CE2-CG 4.3Å; F339-F343 HydrophobicContact CZ-CB 3.99Å; F339-F343 HydrophobicContact CZ-CD2 4.25Å; F339-F343 HydrophobicContact CZ-CG 4.03Å; F339-F343 WeakPolarHBondContact O-CB 3.39Å; F339-F343 PolarHBondContact O-N 3.13Å
340W97.7Very high94Very high0 Ų043.2 Ų43.20%021%0.211CC..Hα-helixtrans-61-38.3-177.9-69.2126.3000112.3L313 L316 L317 T320 A336 H337 E338 Y344 V365 L369 N405L313-W340 HydrophobicContact CD1-CH2 3.86Å; L313-W340 HydrophobicContact CD1-CZ3 3.86Å; L316-W340 HydrophobicContact CB-CH2 4.35Å; L316-W340 HydrophobicContact CB-CZ2 3.98Å; L317-W340 HydrophobicContact CD2-CH2 3.61Å; L317-W340 HydrophobicContact CD2-CZ2 3.71Å; L317-W340 HydrophobicContact CG-CH2 3.69Å; L317-W340 HydrophobicContact CG-CZ2 3.94Å; T320-W340 PolarHBondContact OG1-NE1 2.94Å; A336-W340 PolarHBondContact O-N 3.49Å; A336-W340 VanDerWaalsContact O-N 3.15Å; H337-W340 PolarHBondContact O-N 2.8Å; E338-W340 PolarHBondContact O-N 3.19Å; W340-Y344 WeakPolarHBondContact O-CB 3.34Å; W340-Y344 PolarHBondContact O-N 3.17Å; W340-V365 HydrophobicContact CH2-CG1 4.06Å; W340-V365 HydrophobicContact CZ3-CG1 3.71Å; W340-L369 HydrophobicContact CB-CD2 3.98Å; W340-L369 HydrophobicContact CD2-CD1 3.87Å; W340-L369 HydrophobicContact CD2-CD2 3.59Å; W340-L369 HydrophobicContact CD2-CG 4.32Å; W340-L369 HydrophobicContact CE3-CD2 3.72Å; W340-L369 HydrophobicContact CG-CD1 3.9Å; W340-L369 HydrophobicContact CG-CD2 3.69Å; W340-L369 HydrophobicContact CG-CG 4.45Å; W340-L369 HydrophobicContact CZ2-CD1 4.32Å; W340-L369 HydrophobicContact CZ3-CD2 4.47Å; W340-N405 WeakPolarHBondContact CB-OD1 3.16Å
341F94.6Very high93.2Very high105 Ų10550 Ų5046%0.46125%0.248SC..Hα-helixtrans-67.9-42.6174.7-169.7-93.5000112.6H337 E338 F339 Y344 S345H337-F341 PolarHBondContact O-N 3.01Å; E338-F341 PolarHBondContact O-N 3.02Å; F339-F341 VanDerWaalsContact C-N 3.26Å; F339-F341 PolarHBondContact O-N 2.91Å; F341-Y344 PolarHBondContact O-N 3.48Å; F341-S345 PolarHBondContact O-N 2.97Å; F341-S345 PolarHBondContact O-OG 2.95Å
342A95.2Very high92.7Very high25 Ų2546.5 Ų46.521%0.20725%0.246CC..Hα-helixtrans-62.3-47175.200000111.5E338 F339 Y344 S345 D346E338-A342 WeakPolarHBondContact O-CB 3.21Å; E338-A342 PolarHBondContact O-N 3.16Å; F339-A342 PolarHBondContact O-N 3.12Å; F339-A342 VanDerWaalsContact O-N 3.17Å; A342-Y344 PolarHBondContact O-N 3.02Å; A342-S345 WeakPolarHBondContact O-CA 3.38Å; A342-S345 WeakPolarHBondContact O-CB 3.36Å; A342-S345 PolarHBondContact O-N 3.37Å; A342-D346 PolarHBondContact O-N 3.4Å
343F96.4Very high92.2Very high0 Ų047.4 Ų47.40%025%0.249CC..Hα-helixtrans-63.8-40179-170.4-114.6000112.5L301 L304 F339 S345 D346 V347 V362 F366L301-F343 HydrophobicContact CB-CE2 3.9Å; L301-F343 HydrophobicContact CD1-CE2 4.03Å; L301-F343 HydrophobicContact CD1-CZ 3.94Å; L304-F343 HydrophobicContact CD1-CZ 4.44Å; L304-F343 HydrophobicContact CD2-CZ 4.23Å; F339-F343 HydrophobicContact CD2-CB 4.46Å; F339-F343 HydrophobicContact CE2-CB 3.97Å; F339-F343 HydrophobicContact CE2-CD2 4.32Å; F339-F343 HydrophobicContact CE2-CG 4.3Å; F339-F343 HydrophobicContact CZ-CB 3.99Å; F339-F343 HydrophobicContact CZ-CD2 4.25Å; F339-F343 HydrophobicContact CZ-CG 4.03Å; F339-F343 WeakPolarHBondContact O-CB 3.39Å; F339-F343 PolarHBondContact O-N 3.13Å; F343-S345 VanDerWaalsContact C-N 3.31Å; F343-S345 PolarHBondContact O-N 3.5Å; F343-D346 PolarHBondContact O-N 3.3Å; F343-V347 HydrophobicContact CE1-CG2 4.42Å; F343-V347 VanDerWaalsContact O-CG2 3.26Å; F343-V347 WeakPolarHBondContact O-CG2 3.27Å; F343-V347 PolarHBondContact O-N 2.82Å; F343-V347 VanDerWaalsContact O-N 3.1Å; F343-V362 HydrophobicContact CE1-CG2 4.48Å; F343-V362 HydrophobicContact CZ-CG2 4.33Å; F343-F366 AromaticContact CD1-CE2 3.62Å; F343-F366 HydrophobicContact CD1-CE2 3.62Å; F343-F366 AromaticContact CD1-CZ 3.95Å; F343-F366 HydrophobicContact CD1-CZ 3.95Å; F343-F366 AromaticContact CE1-CE2 3.83Å; F343-F366 HydrophobicContact CE1-CE2 3.83Å
344Y95Very high91.6Very high34 Ų3455.4 Ų55.413%0.13328%0.279CS..Hα-helixtrans-56.5-46.6169.4158.7-103.3000111.7W340 F341 A342 D346 V347 V348 A408 M411 L412W340-Y344 WeakPolarHBondContact O-CB 3.34Å; W340-Y344 PolarHBondContact O-N 3.17Å; F341-Y344 PolarHBondContact O-N 3.48Å; A342-Y344 PolarHBondContact O-N 3.02Å; Y344-D346 PolarHBondContact O-N 2.74Å; Y344-V347 WeakPolarHBondContact O-CB 3.38Å; Y344-V347 PolarHBondContact O-N 3.45Å; Y344-V348 HydrophobicContact CD2-CG2 3.93Å; Y344-V348 HydrophobicContact CE1-CG2 4.46Å; Y344-V348 HydrophobicContact CE2-CG2 3.37Å; Y344-V348 WeakPolarHBondContact O-CG2 3.43Å; Y344-V348 PolarHBondContact O-N 3.48Å; Y344-A408 HydrophobicContact CD1-CB 3.95Å; Y344-A408 HydrophobicContact CD2-CB 3.81Å; Y344-A408 HydrophobicContact CE1-CB 4.44Å; Y344-A408 HydrophobicContact CE2-CB 4.31Å; Y344-A408 HydrophobicContact CG-CB 3.6Å; Y344-M411 HydrophobicContact CE2-CB 3.68Å; Y344-L412 HydrophobicContact CD2-CD1 3.93Å; Y344-L412 HydrophobicContact CD2-CD2 4.12Å; Y344-L412 HydrophobicContact CD2-CG 3.79Å; Y344-L412 HydrophobicContact CE2-CD2 4.19Å; Y344-L412 HydrophobicContact CE2-CG 4.07Å
345S94.6Very high91.1Very high38 Ų3862.5 Ų62.527%0.26631%0.306SS..Hα-helixtrans-60.4-47.4-178.4-58.50000111.1F341 A342 F343 V347 V348 E349F341-S345 PolarHBondContact O-N 2.97Å; F341-S345 PolarHBondContact O-OG 2.95Å; A342-S345 WeakPolarHBondContact O-CA 3.38Å; A342-S345 WeakPolarHBondContact O-CB 3.36Å; A342-S345 PolarHBondContact O-N 3.37Å; F343-S345 VanDerWaalsContact C-N 3.31Å; F343-S345 PolarHBondContact O-N 3.5Å; S345-V347 VanDerWaalsContact C-N 3.32Å; S345-V347 PolarHBondContact O-N 2.95Å; S345-V348 PolarHBondContact O-N 3.26Å; S345-V348 VanDerWaalsContact O-N 3.15Å; S345-E349 WeakPolarHBondContact O-CG 3.48Å; S345-E349 PolarHBondContact O-N 2.9Å
346D93.7Very high90.7Very high40 Ų4062 Ų6221%0.21431%0.306CS..Hα-helixtrans-60.6-37.4176-74.6-49.9000113.4S297 G298 L301 A342 F343 Y344 H350S297-D346 WeakPolarHBondContact CB-OD2 3.31Å; S297-D346 PolarHBondContact OG-OD2 3.25Å; G298-D346 WeakPolarHBondContact CA-OD2 3.42Å; G298-D346 PolarHBondContact N-OD2 2.76Å; L301-D346 HydrophobicContact CD2-CB 4.17Å; A342-D346 PolarHBondContact O-N 3.4Å; F343-D346 PolarHBondContact O-N 3.3Å; Y344-D346 PolarHBondContact O-N 2.74Å; D346-H350 PolarHBondContact O-N 3.45Å
347V94.7Very high90.3Very high0 Ų073.4 Ų73.40%035%0.349CS..Hα-helixtrans-63.5-44.6175.8170.60000110.6L301 F343 Y344 S345 H350 Y353 W358 W359 V362 L412L301-V347 HydrophobicContact CD1-CG2 3.74Å; L301-V347 HydrophobicContact CD2-CG2 3.95Å; L301-V347 HydrophobicContact CG-CG2 4.5Å; F343-V347 HydrophobicContact CE1-CG2 4.42Å; F343-V347 VanDerWaalsContact O-CG2 3.26Å; F343-V347 WeakPolarHBondContact O-CG2 3.27Å; F343-V347 PolarHBondContact O-N 2.82Å; F343-V347 VanDerWaalsContact O-N 3.1Å; Y344-V347 WeakPolarHBondContact O-CB 3.38Å; Y344-V347 PolarHBondContact O-N 3.45Å; S345-V347 VanDerWaalsContact C-N 3.32Å; S345-V347 PolarHBondContact O-N 2.95Å; V347-H350 WeakPolarHBondContact O-CB 3.45Å; V347-H350 PolarHBondContact O-N 3.35Å; V347-Y353 HydrophobicContact CG1-CD2 4.14Å; V347-Y353 HydrophobicContact CG1-CG 4.07Å; V347-Y353 WeakPolarHBondContact O-CB 3.29Å; V347-Y353 VanDerWaalsContact O-CD1 3.3Å; V347-Y353 WeakPolarHBondContact O-CD1 3.01Å; V347-W358 HydrophobicContact CG1-CZ3 4.34Å; V347-W359 HydrophobicContact CG1-CZ3 4.1Å; V347-V362 HydrophobicContact CG1-CG1 4.33Å; V347-V362 HydrophobicContact CG2-CG1 4.03Å; V347-L412 HydrophobicContact CG1-CD1 4.34Å; V347-L412 HydrophobicContact CG1-CD2 3.7Å
348V91.4Very high89.9Confident55 Ų5575.2 Ų75.233%0.33336%0.356SS..Hα-helixtrans-71.5-36.8-178.2174.50000112Y344 S345 H350 L412Y344-V348 HydrophobicContact CD2-CG2 3.93Å; Y344-V348 HydrophobicContact CE1-CG2 4.46Å; Y344-V348 HydrophobicContact CE2-CG2 3.37Å; Y344-V348 WeakPolarHBondContact O-CG2 3.43Å; Y344-V348 PolarHBondContact O-N 3.48Å; S345-V348 PolarHBondContact O-N 3.26Å; S345-V348 VanDerWaalsContact O-N 3.15Å; V348-H350 PolarHBondContact O-N 2.8Å; V348-L412 HydrophobicContact CG2-CD2 4.06Å
349E89.7Confident89.7Confident143 Ų14369.4 Ų69.467%0.66833%0.328SS*.Hα-helixtrans-57.5-29.4174.3-76.9-172.3-178.300112.3S345 N351S345-E349 WeakPolarHBondContact O-CG 3.48Å; S345-E349 PolarHBondContact O-N 2.9Å; E349-N351 VanDerWaalsContact C-N 3.28Å; E349-N351 PolarHBondContact O-N 3.4Å
350H86Confident89.5Confident89 Ų8973 Ų7341%0.41235%0.351SS..SBendtrans-75.178.8170.1-164.2-67.1000110.7D346 V347 V348 A352 Y353 W358D346-H350 PolarHBondContact O-N 3.45Å; V347-H350 WeakPolarHBondContact O-CB 3.45Å; V347-H350 PolarHBondContact O-N 3.35Å; V348-H350 PolarHBondContact O-N 2.8Å; H350-A352 CarbonylContact O-C 3.58Å; H350-A352 PolarHBondContact O-N 3.29Å; H350-Y353 PolarHBondContact ND1-N 2.95Å; H350-Y353 WeakPolarHBondContact O-CA 3.49Å; H350-Y353 VanDerWaalsContact O-CB 3.28Å; H350-Y353 WeakPolarHBondContact O-CB 3.48Å; H350-Y353 VanDerWaalsContact O-CD1 3.32Å; H350-Y353 WeakPolarHBondContact O-CD1 3.41Å; H350-Y353 PolarHBondContact O-N 2.97Å; H350-W358 HydrophobicContact CB-CH2 4.32Å; H350-W358 HydrophobicContact CB-CZ2 4.37Å; H350-W358 AromaticContact CD2-CZ2 3.98Å; H350-W358 AromaticContact CG-CZ2 3.94Å
351N74.5Confident89.2Confident162 Ų16277.6 Ų77.687%0.86638%0.376SS*.THydrogen-bonded Turntrans-40.1-29.4-175.6-72.8-47.9000117.1E349E349-N351 VanDerWaalsContact C-N 3.28Å; E349-N351 PolarHBondContact O-N 3.4Å
352A79.9Confident89.2Confident53 Ų5372.7 Ų72.744%0.43835%0.354SS..THydrogen-bonded Turntrans-107.426.1177.700000114.2H350 R354 K355H350-A352 CarbonylContact O-C 3.58Å; H350-A352 PolarHBondContact O-N 3.29Å; A352-R354 PolarHBondContact O-N 3.04Å; A352-R354 VanDerWaalsContact O-N 3.12Å; A352-K355 PolarHBondContact O-N 3.35Å
353Y83.3Confident89.1Confident26 Ų2674.9 Ų74.910%0.10236%0.36CS..G310 helixtrans-55.3-34.3-172.765.2-99.6000112.9V347 H350 K355 A356 W359 L412V347-Y353 HydrophobicContact CG1-CD2 4.14Å; V347-Y353 HydrophobicContact CG1-CG 4.07Å; V347-Y353 WeakPolarHBondContact O-CB 3.29Å; V347-Y353 VanDerWaalsContact O-CD1 3.3Å; V347-Y353 WeakPolarHBondContact O-CD1 3.01Å; H350-Y353 PolarHBondContact ND1-N 2.95Å; H350-Y353 WeakPolarHBondContact O-CA 3.49Å; H350-Y353 VanDerWaalsContact O-CB 3.28Å; H350-Y353 WeakPolarHBondContact O-CB 3.48Å; H350-Y353 VanDerWaalsContact O-CD1 3.32Å; H350-Y353 WeakPolarHBondContact O-CD1 3.41Å; H350-Y353 PolarHBondContact O-N 2.97Å; Y353-K355 PolarHBondContact O-N 3.34Å; Y353-A356 WeakPolarHBondContact O-CB 3.43Å; Y353-A356 PolarHBondContact O-N 3.48Å; Y353-W359 HydrophobicContact CD2-CD2 4.05Å; Y353-W359 AromaticContact CD2-CE3 3.54Å; Y353-W359 HydrophobicContact CD2-CE3 3.54Å; Y353-W359 AromaticContact CD2-CH2 3.76Å; Y353-W359 HydrophobicContact CD2-CH2 3.76Å; Y353-W359 HydrophobicContact CD2-CZ2 4.24Å; Y353-W359 AromaticContact CD2-CZ3 3.39Å; Y353-W359 HydrophobicContact CD2-CZ3 3.39Å; Y353-W359 HydrophobicContact CE2-CE3 4.13Å; Y353-W359 AromaticContact CE2-CH2 3.44Å; Y353-W359 HydrophobicContact CE2-CH2 3.44Å; Y353-W359 VanDerWaalsContact CE2-CH2 3.44Å; Y353-W359 AromaticContact CE2-CZ2 3.91Å; Y353-W359 HydrophobicContact CE2-CZ2 3.91Å; Y353-W359 AromaticContact CE2-CZ3 3.56Å; Y353-W359 HydrophobicContact CE2-CZ3 3.56Å; Y353-W359 WeakPolarHBondContact O-CB 2.99Å; Y353-L412 HydrophobicContact CE2-CD2 4.24Å
354R82.5Confident89.1Confident169 Ų16977.8 Ų77.864%0.63839%0.385SS*.G310 helixtrans-62.5-16.3177.8-60.9-174.6-176.3-170.3-2.9114.5A352A352-R354 PolarHBondContact O-N 3.04Å; A352-R354 VanDerWaalsContact O-N 3.12Å
355K83.9Confident89.1Confident193 Ų19377.1 Ų77.184%0.83938%0.384SS*.G310 helixtrans-102.5-3.9175.4-61.9-179.7-178.8176.90112.3A352 Y353A352-K355 PolarHBondContact O-N 3.35Å; Y353-K355 PolarHBondContact O-N 3.34Å
356A86.1Confident89.2Confident18 Ų1875.3 Ų75.315%0.14937%0.372CS..SBendtrans-73.2147.7-178.100000111Y353 W358 W359Y353-A356 WeakPolarHBondContact O-CB 3.43Å; Y353-A356 PolarHBondContact O-N 3.48Å; A356-W358 VanDerWaalsContact C-N 3.27Å; A356-W358 HydrophobicContact CB-CD2 3.71Å; A356-W358 HydrophobicContact CB-CE3 4.17Å; A356-W358 HydrophobicContact CB-CG 4.24Å; A356-W358 HydrophobicContact CB-CH2 4.07Å; A356-W358 HydrophobicContact CB-CZ2 3.56Å; A356-W358 HydrophobicContact CB-CZ3 4.33Å; A356-W358 PolarHBondContact O-N 3.11Å; A356-W359 VanDerWaalsContact O-CB 3.25Å; A356-W359 WeakPolarHBondContact O-CB 3.21Å; A356-W359 PolarHBondContact O-N 3.09Å
357R87.4Confident89.4Confident240 Ų24075.4 Ų75.491%0.90637%0.372SS*.THydrogen-bonded Turntrans-63.3-34-178.5-176.3178.7175.5-172.2-2.1112.8W359 P360R357-W359 VanDerWaalsContact C-N 3.29Å; R357-P360 WeakPolarHBondContact O-CD 3.39Å
358W87.8Confident89.5Confident43 Ų4378.5 Ų78.516%0.16338%0.383CS..THydrogen-bonded Turntrans-81-3.9-179.946.3-108.2000113.8L301 L304 V347 H350 A356 D361 V362L301-W358 HydrophobicContact CD1-CD2 4.02Å; L301-W358 HydrophobicContact CD1-CE3 3.68Å; L301-W358 HydrophobicContact CD1-CH2 3.86Å; L301-W358 HydrophobicContact CD1-CZ2 4.19Å; L301-W358 HydrophobicContact CD1-CZ3 3.61Å; L301-W358 HydrophobicContact CD2-CH2 3.92Å; L301-W358 HydrophobicContact CD2-CZ2 4.13Å; L301-W358 HydrophobicContact CD2-CZ3 4.47Å; L301-W358 HydrophobicContact CG-CH2 4.13Å; L301-W358 HydrophobicContact CG-CZ2 4.12Å; L301-W358 HydrophobicContact CG-CZ3 4.38Å; L304-W358 HydrophobicContact CD1-CB 3.9Å; L304-W358 HydrophobicContact CD1-CG 4.43Å; V347-W358 HydrophobicContact CG1-CZ3 4.34Å; H350-W358 HydrophobicContact CB-CH2 4.32Å; H350-W358 HydrophobicContact CB-CZ2 4.37Å; H350-W358 AromaticContact CD2-CZ2 3.98Å; H350-W358 AromaticContact CG-CZ2 3.94Å; A356-W358 VanDerWaalsContact C-N 3.27Å; A356-W358 HydrophobicContact CB-CD2 3.71Å; A356-W358 HydrophobicContact CB-CE3 4.17Å; A356-W358 HydrophobicContact CB-CG 4.24Å; A356-W358 HydrophobicContact CB-CH2 4.07Å; A356-W358 HydrophobicContact CB-CZ2 3.56Å; A356-W358 HydrophobicContact CB-CZ3 4.33Å; A356-W358 PolarHBondContact O-N 3.11Å; W358-D361 PolarHBondContact O-N 3.31Å; W358-V362 HydrophobicContact CE3-CB 4.42Å; W358-V362 HydrophobicContact CE3-CG2 3.6Å; W358-V362 HydrophobicContact CZ3-CG2 3.99Å; W358-V362 PolarHBondContact O-N 3.45Å; W358-V362 VanDerWaalsContact O-N 3.14Å
359W92.7Very high89.8Confident24 Ų2475.9 Ų75.99%0.09137%0.367CS..Hα-helixtrans-58.6-43.3-176.9177-119000114.3V347 Y353 A356 R357 D361 V362 Q363 L412V347-W359 HydrophobicContact CG1-CZ3 4.1Å; Y353-W359 HydrophobicContact CD2-CD2 4.05Å; Y353-W359 AromaticContact CD2-CE3 3.54Å; Y353-W359 HydrophobicContact CD2-CE3 3.54Å; Y353-W359 AromaticContact CD2-CH2 3.76Å; Y353-W359 HydrophobicContact CD2-CH2 3.76Å; Y353-W359 HydrophobicContact CD2-CZ2 4.24Å; Y353-W359 AromaticContact CD2-CZ3 3.39Å; Y353-W359 HydrophobicContact CD2-CZ3 3.39Å; Y353-W359 HydrophobicContact CE2-CE3 4.13Å; Y353-W359 AromaticContact CE2-CH2 3.44Å; Y353-W359 HydrophobicContact CE2-CH2 3.44Å; Y353-W359 VanDerWaalsContact CE2-CH2 3.44Å; Y353-W359 AromaticContact CE2-CZ2 3.91Å; Y353-W359 HydrophobicContact CE2-CZ2 3.91Å; Y353-W359 AromaticContact CE2-CZ3 3.56Å; Y353-W359 HydrophobicContact CE2-CZ3 3.56Å; Y353-W359 WeakPolarHBondContact O-CB 2.99Å; A356-W359 VanDerWaalsContact O-CB 3.25Å; A356-W359 WeakPolarHBondContact O-CB 3.21Å; A356-W359 PolarHBondContact O-N 3.09Å; R357-W359 VanDerWaalsContact C-N 3.29Å; W359-D361 VanDerWaalsContact C-N 3.25Å; W359-D361 PolarHBondContact O-N 2.91Å; W359-V362 HydrophobicContact CE3-CB 4.16Å; W359-V362 HydrophobicContact CE3-CG1 4.11Å; W359-V362 HydrophobicContact CZ3-CB 4.42Å; W359-V362 HydrophobicContact CZ3-CG1 3.89Å; W359-V362 PolarHBondContact O-N 3.49Å; W359-Q363 HydrophobicContact CD2-CG 3.86Å; W359-Q363 VanDerWaalsContact CE2-CD 3.42Å; W359-Q363 HydrophobicContact CE3-CG 4.29Å; W359-Q363 HydrophobicContact CG-CG 4.42Å; W359-Q363 HydrophobicContact CH2-CG 3.94Å; W359-Q363 HydrophobicContact CZ2-CG 3.46Å; W359-Q363 VanDerWaalsContact CZ2-CG 3.46Å; W359-Q363 HydrophobicContact CZ3-CG 4.32Å; W359-Q363 VanDerWaalsContact NE1-OE1 3.17Å; W359-Q363 WeakPolarHBondContact O-CG 3.25Å; W359-Q363 PolarHBondContact O-N 3.31Å; W359-L412 HydrophobicContact CH2-CB 4.14Å; W359-L412 HydrophobicContact CH2-CD2 4.28Å; W359-L412 HydrophobicContact CZ3-CD2 4.32Å
360P92.5Very high90.2Very high76 Ų7669.2 Ų69.249%0.49434%0.336SS..Hα-helixtrans-59.3-36.9177.7-24.135.8000113R357 Q363 A364R357-P360 WeakPolarHBondContact O-CD 3.39Å; P360-Q363 PolarHBondContact O-N 3.28Å; P360-A364 PolarHBondContact O-N 2.86Å
361D91.8Very high90.8Very high97 Ų9770.4 Ų70.452%0.51934%0.337SS..Hα-helixtrans-68.3-44.2178.7-54.3-45.9000110.5W358 W359 Q363 A364 V365W358-D361 PolarHBondContact O-N 3.31Å; W359-D361 VanDerWaalsContact C-N 3.25Å; W359-D361 PolarHBondContact O-N 2.91Å; D361-Q363 VanDerWaalsContact C-N 3.32Å; D361-Q363 PolarHBondContact O-N 3.29Å; D361-A364 PolarHBondContact O-N 2.79Å; D361-V365 VanDerWaalsContact O-CG2 3.29Å; D361-V365 WeakPolarHBondContact O-CG2 3.32Å; D361-V365 PolarHBondContact O-N 3.03Å
362V93.7Very high91.8Very high1 Ų162.7 Ų62.71%0.00630%0.296CS..Hα-helixtrans-60.2-42173.9173.20000111.1L301 L304 F343 V347 W358 W359 A364 V365 F366L301-V362 HydrophobicContact CD1-CG2 3.93Å; L304-V362 HydrophobicContact CD1-CG2 3.71Å; F343-V362 HydrophobicContact CE1-CG2 4.48Å; F343-V362 HydrophobicContact CZ-CG2 4.33Å; V347-V362 HydrophobicContact CG1-CG1 4.33Å; V347-V362 HydrophobicContact CG2-CG1 4.03Å; W358-V362 HydrophobicContact CE3-CB 4.42Å; W358-V362 HydrophobicContact CE3-CG2 3.6Å; W358-V362 HydrophobicContact CZ3-CG2 3.99Å; W358-V362 PolarHBondContact O-N 3.45Å; W358-V362 VanDerWaalsContact O-N 3.14Å; W359-V362 HydrophobicContact CE3-CB 4.16Å; W359-V362 HydrophobicContact CE3-CG1 4.11Å; W359-V362 HydrophobicContact CZ3-CB 4.42Å; W359-V362 HydrophobicContact CZ3-CG1 3.89Å; W359-V362 PolarHBondContact O-N 3.49Å; V362-A364 VanDerWaalsContact C-N 3.33Å; V362-A364 PolarHBondContact O-N 3.02Å; V362-V365 PolarHBondContact O-N 3.42Å; V362-F366 HydrophobicContact CG1-CD2 3.7Å; V362-F366 HydrophobicContact CG1-CE2 3.9Å; V362-F366 WeakPolarHBondContact O-CD2 3.41Å; V362-F366 PolarHBondContact O-N 3.16Å
363Q94.3Very high92.7Very high71 Ų7160.2 Ų60.233%0.33228%0.275SS..Hα-helixtrans-60.6-43176.3-70.2-174.4-73.800112W359 P360 D361 L367 L413W359-Q363 HydrophobicContact CD2-CG 3.86Å; W359-Q363 VanDerWaalsContact CE2-CD 3.42Å; W359-Q363 HydrophobicContact CE3-CG 4.29Å; W359-Q363 HydrophobicContact CG-CG 4.42Å; W359-Q363 HydrophobicContact CH2-CG 3.94Å; W359-Q363 HydrophobicContact CZ2-CG 3.46Å; W359-Q363 VanDerWaalsContact CZ2-CG 3.46Å; W359-Q363 HydrophobicContact CZ3-CG 4.32Å; W359-Q363 VanDerWaalsContact NE1-OE1 3.17Å; W359-Q363 WeakPolarHBondContact O-CG 3.25Å; W359-Q363 PolarHBondContact O-N 3.31Å; P360-Q363 PolarHBondContact O-N 3.28Å; D361-Q363 VanDerWaalsContact C-N 3.32Å; D361-Q363 PolarHBondContact O-N 3.29Å; Q363-L367 VanDerWaalsContact O-CB 3.31Å; Q363-L367 WeakPolarHBondContact O-CB 3.38Å; Q363-L367 PolarHBondContact O-N 3.08Å; Q363-L413 HydrophobicContact CB-CD2 3.95Å; Q363-L413 HydrophobicContact CG-CD2 3.93Å
364A95.1Very high93.3Very high62 Ų6259.9 Ų59.951%0.51228%0.275SS..Hα-helixtrans-63.7-4217800000111.9P360 D361 V362 L367 R368P360-A364 PolarHBondContact O-N 2.86Å; D361-A364 PolarHBondContact O-N 2.79Å; V362-A364 VanDerWaalsContact C-N 3.33Å; V362-A364 PolarHBondContact O-N 3.02Å; A364-L367 PolarHBondContact O-N 3.35Å; A364-R368 PolarHBondContact O-N 3.17Å; A364-R368 VanDerWaalsContact O-N 3.08Å
365V96.1Very high93.8Very high20 Ų2059 Ų5912%0.12127%0.272CS..Hα-helixtrans-62-52.1177.3169.30000110.9L313 L317 W340 D361 V362 L367 R368 L369L313-V365 HydrophobicContact CD1-CG1 4.35Å; L313-V365 HydrophobicContact CD2-CG1 4.23Å; L313-V365 HydrophobicContact CD2-CG2 3.65Å; L313-V365 HydrophobicContact CG-CG1 4.4Å; L313-V365 HydrophobicContact CG-CG2 4.4Å; L317-V365 HydrophobicContact CD1-CG1 4.33Å; L317-V365 HydrophobicContact CD2-CG1 4.44Å; W340-V365 HydrophobicContact CH2-CG1 4.06Å; W340-V365 HydrophobicContact CZ3-CG1 3.71Å; D361-V365 VanDerWaalsContact O-CG2 3.29Å; D361-V365 WeakPolarHBondContact O-CG2 3.32Å; D361-V365 PolarHBondContact O-N 3.03Å; V362-V365 PolarHBondContact O-N 3.42Å; V365-L367 VanDerWaalsContact C-N 3.25Å; V365-L367 PolarHBondContact O-N 2.86Å; V365-R368 PolarHBondContact O-N 3.08Å; V365-R368 VanDerWaalsContact O-N 3.17Å; V365-L369 WeakPolarHBondContact O-CB 3.49Å; V365-L369 PolarHBondContact O-N 3.05Å
366F97.1Very high94.3Very high0 Ų050.7 Ų50.70%024%0.236CC..Hα-helixtrans-67.4-26.3-179-86.9-89.2000113.2F343 V362 L369 F370 L412 L413F343-F366 AromaticContact CD1-CE2 3.62Å; F343-F366 HydrophobicContact CD1-CE2 3.62Å; F343-F366 AromaticContact CD1-CZ 3.95Å; F343-F366 HydrophobicContact CD1-CZ 3.95Å; F343-F366 AromaticContact CE1-CE2 3.83Å; F343-F366 HydrophobicContact CE1-CE2 3.83Å; V362-F366 HydrophobicContact CG1-CD2 3.7Å; V362-F366 HydrophobicContact CG1-CE2 3.9Å; V362-F366 WeakPolarHBondContact O-CD2 3.41Å; V362-F366 PolarHBondContact O-N 3.16Å; F366-L369 HydrophobicContact CD1-CD2 3.96Å; F366-L369 HydrophobicContact CE1-CD2 4.04Å; F366-F370 VanDerWaalsContact O-CB 3.28Å; F366-F370 WeakPolarHBondContact O-CB 3.49Å; F366-F370 PolarHBondContact O-N 2.94Å; F366-L412 HydrophobicContact CD1-CD1 3.75Å; F366-L412 HydrophobicContact CD2-CD1 3.58Å; F366-L412 HydrophobicContact CE1-CD1 3.66Å; F366-L412 HydrophobicContact CE2-CD1 3.47Å; F366-L412 VanDerWaalsContact CE2-CD1 3.47Å; F366-L412 HydrophobicContact CG-CD1 3.71Å; F366-L412 HydrophobicContact CZ-CD1 3.52Å; F366-L413 HydrophobicContact CB-CD1 4Å; F366-L413 HydrophobicContact CB-CG 4.4Å
367L97.2Very high94.7Very high41 Ų4149.8 Ų49.822%0.21523%0.228CC..Hα-helixtrans-70.6-41.4173.1-174.262.5000111.7Q363 A364 V365 F370 R371 L413 L417 E420Q363-L367 VanDerWaalsContact O-CB 3.31Å; Q363-L367 WeakPolarHBondContact O-CB 3.38Å; Q363-L367 PolarHBondContact O-N 3.08Å; A364-L367 PolarHBondContact O-N 3.35Å; V365-L367 VanDerWaalsContact C-N 3.25Å; V365-L367 PolarHBondContact O-N 2.86Å; L367-F370 PolarHBondContact O-N 2.71Å; L367-R371 WeakPolarHBondContact O-CG 3.43Å; L367-R371 PolarHBondContact O-N 2.83Å; L367-L413 HydrophobicContact CB-CD1 4.17Å; L367-L413 HydrophobicContact CD1-CD1 4.39Å; L367-L417 HydrophobicContact CD1-CD2 3.79Å; L367-E420 WeakPolarHBondContact CD1-OE2 3.31Å
368R97.2Very high94.9Very high65 Ų6542.9 Ų42.925%0.24520%0.202CC..Hα-helixtrans-66.4-43.6173.9-178.6171.7163.6-158.80.1111.2E314 L317 E321 A364 V365 F370 R371 A372E314-R368 IonicContact OE1-CZ 3.71Å; E314-R368 IonicContact OE1-NH1 3.26Å; E314-R368 PolarHBondContact OE1-NH1 3.17Å; E314-R368 IonicContact OE1-NH2 3.37Å; E314-R368 PolarHBondContact OE1-NH2 3.02Å; E314-R368 IonicContact OE2-CZ 2.62Å; E314-R368 IonicContact OE2-NH1 3.82Å; E314-R368 PolarHBondContact OE2-NH1 3.12Å; L317-R368 HydrophobicContact CD2-CB 4.46Å; L317-R368 HydrophobicContact CD2-CG 4.27Å; E321-R368 WeakPolarHBondContact OE1-CG 3.41Å; E321-R368 IonicContact OE1-CZ 3.29Å; E321-R368 IonicContact OE1-NE 2.65Å; E321-R368 PolarHBondContact OE1-NE 3.05Å; E321-R368 IonicContact OE1-NH2 2.69Å; E321-R368 IonicContact OE2-CZ 3.71Å; E321-R368 VanDerWaalsContact OE2-CZ 3.28Å; E321-R368 IonicContact OE2-NE 3.92Å; E321-R368 PolarHBondContact OE2-NE 3.12Å; E321-R368 VanDerWaalsContact OE2-NE 3.09Å; E321-R368 IonicContact OE2-NH2 3.77Å; E321-R368 PolarHBondContact OE2-NH2 3.07Å; A364-R368 PolarHBondContact O-N 3.17Å; A364-R368 VanDerWaalsContact O-N 3.08Å; V365-R368 PolarHBondContact O-N 3.08Å; V365-R368 VanDerWaalsContact O-N 3.17Å; R368-F370 VanDerWaalsContact C-N 3.35Å; R368-F370 PolarHBondContact O-N 2.9Å; R368-R371 PolarHBondContact O-N 2.98Å; R368-A372 PolarHBondContact O-N 2.93Å
369L97.9Very high95Very high0 Ų041.5 Ų41.50%020%0.198CC..Hα-helixtrans-55.7-49.3173.7176.661000111.3L317 T320 W340 V365 F366 R371 A372 L373L317-L369 HydrophobicContact CD2-CB 4.35Å; T320-L369 HydrophobicContact CG2-CD1 3.86Å; W340-L369 HydrophobicContact CB-CD2 3.98Å; W340-L369 HydrophobicContact CD2-CD1 3.87Å; W340-L369 HydrophobicContact CD2-CD2 3.59Å; W340-L369 HydrophobicContact CD2-CG 4.32Å; W340-L369 HydrophobicContact CE3-CD2 3.72Å; W340-L369 HydrophobicContact CG-CD1 3.9Å; W340-L369 HydrophobicContact CG-CD2 3.69Å; W340-L369 HydrophobicContact CG-CG 4.45Å; W340-L369 HydrophobicContact CZ2-CD1 4.32Å; W340-L369 HydrophobicContact CZ3-CD2 4.47Å; V365-L369 WeakPolarHBondContact O-CB 3.49Å; V365-L369 PolarHBondContact O-N 3.05Å; F366-L369 HydrophobicContact CD1-CD2 3.96Å; F366-L369 HydrophobicContact CE1-CD2 4.04Å; L369-R371 VanDerWaalsContact C-N 3.31Å; L369-R371 PolarHBondContact O-N 3.2Å; L369-A372 WeakPolarHBondContact O-CB 3.27Å; L369-A372 PolarHBondContact O-N 3.46Å; L369-A372 VanDerWaalsContact O-N 3.09Å; L369-L373 HydrophobicContact CD1-CD1 3.81Å; L369-L373 HydrophobicContact CD1-CD2 4.4Å; L369-L373 HydrophobicContact CD1-CG 3.88Å; L369-L373 HydrophobicContact CD2-CD1 4.38Å; L369-L373 HydrophobicContact CG-CD1 3.72Å; L369-L373 HydrophobicContact CG-CG 4.24Å; L369-L373 WeakPolarHBondContact O-CG 3.49Å; L369-L373 PolarHBondContact O-N 2.63Å
370F98.1Very high94.8Very high3 Ų341.1 Ų41.11%0.01320%0.199CC..Hα-helixtrans-52.9-48.3176.1165.6-103.1000111.8F366 L367 R368 A372 L373 M374 L406 C409 L417 L421 F449F366-F370 VanDerWaalsContact O-CB 3.28Å; F366-F370 WeakPolarHBondContact O-CB 3.49Å; F366-F370 PolarHBondContact O-N 2.94Å; L367-F370 PolarHBondContact O-N 2.71Å; R368-F370 VanDerWaalsContact C-N 3.35Å; R368-F370 PolarHBondContact O-N 2.9Å; F370-A372 VanDerWaalsContact C-N 3.34Å; F370-A372 PolarHBondContact O-N 3.09Å; F370-L373 PolarHBondContact O-N 2.92Å; F370-M374 HydrophobicContact CD2-CG 4.04Å; F370-M374 HydrophobicContact CE1-CG 4.26Å; F370-M374 HydrophobicContact CE2-CG 3.63Å; F370-M374 HydrophobicContact CE2-SD 3.96Å; F370-M374 HydrophobicContact CZ-CG 3.77Å; F370-M374 HydrophobicContact CZ-SD 4.33Å; F370-M374 WeakPolarHBondContact O-CB 3.37Å; F370-M374 VanDerWaalsContact O-CG 3.27Å; F370-M374 WeakPolarHBondContact O-CG 3.39Å; F370-M374 PolarHBondContact O-N 2.93Å; F370-L406 HydrophobicContact CD2-CD2 3.64Å; F370-L406 HydrophobicContact CE2-CD2 4.04Å; F370-C409 HydrophobicContact CB-CB 4.21Å; F370-L417 HydrophobicContact CB-CD2 4.29Å; F370-L417 HydrophobicContact CD1-CD2 3.71Å; F370-L417 HydrophobicContact CD2-CD1 3.87Å; F370-L417 HydrophobicContact CD2-CD2 4.22Å; F370-L417 HydrophobicContact CE1-CD2 4.03Å; F370-L417 HydrophobicContact CE2-CB 4.45Å; F370-L417 HydrophobicContact CE2-CD1 4.21Å; F370-L417 HydrophobicContact CG-CD1 4.19Å; F370-L417 HydrophobicContact CG-CD2 3.8Å; F370-L417 HydrophobicContact CZ-CB 4.38Å; F370-L417 HydrophobicContact CZ-CD2 4.4Å; F370-L421 HydrophobicContact CE1-CD2 4.37Å; F370-L421 HydrophobicContact CE2-CD1 4.46Å; F370-L421 HydrophobicContact CZ-CD1 3.94Å; F370-L421 HydrophobicContact CZ-CD2 3.78Å; F370-L421 HydrophobicContact CZ-CG 3.83Å; F370-F449 HydrophobicContact CD2-CD2 4.49Å; F370-F449 HydrophobicContact CD2-CE2 4.3Å; F370-F449 AromaticContact CE2-CD2 3.7Å; F370-F449 HydrophobicContact CE2-CD2 3.7Å; F370-F449 AromaticContact CE2-CE2 3.66Å; F370-F449 HydrophobicContact CE2-CE2 3.66Å; F370-F449 HydrophobicContact CE2-CG 4.41Å; F370-F449 HydrophobicContact CE2-CZ 4.34Å
371R97.1Very high94.4Very high114 Ų11443.6 Ų43.643%0.4320%0.204SC..Hα-helixtrans-66-33.7178.5-68.2173.2-177.1156.76.3113.2L367 R368 L369 R375 E420L367-R371 WeakPolarHBondContact O-CG 3.43Å; L367-R371 PolarHBondContact O-N 2.83Å; R368-R371 PolarHBondContact O-N 2.98Å; L369-R371 VanDerWaalsContact C-N 3.31Å; L369-R371 PolarHBondContact O-N 3.2Å; R371-R375 WeakPolarHBondContact O-CG 3.4Å; R371-R375 PolarHBondContact O-N 3.28Å; R371-R375 PolarHBondContact O-NE 2.7Å; R371-E420 IonicContact CZ-OE1 3.86Å; R371-E420 IonicContact CZ-OE2 2.72Å; R371-E420 IonicContact NE-OE1 3.18Å; R371-E420 PolarHBondContact NE-OE1 2.99Å; R371-E420 IonicContact NE-OE2 3.63Å; R371-E420 IonicContact NH2-OE1 3.5Å; R371-E420 PolarHBondContact NH2-OE1 3.45Å; R371-E420 IonicContact NH2-OE2 2.85Å; R371-E420 PolarHBondContact NH2-OE2 3.41Å
372A96.7Very high94Very high1 Ų144.9 Ų44.91%0.00821%0.207CC..Hα-helixtrans-66.3-51.317400000110.6T320 E321 R368 L369 F370 M374 R375 K376T320-A372 HydrophobicContact CG2-CB 4.28Å; E321-A372 HydrophobicContact CG-CB 3.55Å; R368-A372 PolarHBondContact O-N 2.93Å; L369-A372 WeakPolarHBondContact O-CB 3.27Å; L369-A372 PolarHBondContact O-N 3.46Å; L369-A372 VanDerWaalsContact O-N 3.09Å; F370-A372 VanDerWaalsContact C-N 3.34Å; F370-A372 PolarHBondContact O-N 3.09Å; A372-M374 PolarHBondContact O-N 3.29Å; A372-R375 PolarHBondContact O-N 2.85Å; A372-R375 VanDerWaalsContact O-N 3.16Å; A372-K376 WeakPolarHBondContact O-CB 3.31Å; A372-K376 VanDerWaalsContact O-CG 3.31Å; A372-K376 WeakPolarHBondContact O-CG 3.09Å; A372-K376 PolarHBondContact O-N 3.44Å
373L97.4Very high93.7Very high0 Ų045.2 Ų45.20%021%0.209CC..Hα-helixtrans-61.7-40.9-180-67.5170.4000112.6T320 L369 F370 R375 K376 A377 C402 N405 L406T320-L373 HydrophobicContact CG2-CD2 4.34Å; L369-L373 HydrophobicContact CD1-CD1 3.81Å; L369-L373 HydrophobicContact CD1-CD2 4.4Å; L369-L373 HydrophobicContact CD1-CG 3.88Å; L369-L373 HydrophobicContact CD2-CD1 4.38Å; L369-L373 HydrophobicContact CG-CD1 3.72Å; L369-L373 HydrophobicContact CG-CG 4.24Å; L369-L373 WeakPolarHBondContact O-CG 3.49Å; L369-L373 PolarHBondContact O-N 2.63Å; F370-L373 PolarHBondContact O-N 2.92Å; L373-R375 PolarHBondContact O-N 3.41Å; L373-K376 PolarHBondContact O-N 2.93Å; L373-A377 WeakPolarHBondContact O-CB 3.49Å; L373-A377 PolarHBondContact O-N 3.41Å; L373-C402 HydrophobicContact CD2-CB 4.35Å; L373-N405 HydrophobicContact CD1-CB 3.47Å; L373-N405 VanDerWaalsContact CD1-CB 3.47Å; L373-N405 HydrophobicContact CD2-CB 4.33Å; L373-L406 HydrophobicContact CB-CD2 3.79Å; L373-L406 HydrophobicContact CB-CG 4.12Å; L373-L406 HydrophobicContact CD1-CD2 4.33Å; L373-L406 HydrophobicContact CD1-CG 4.39Å
374M96Very high93.3Very high19 Ų1944.3 Ų44.39%0.09421%0.206CC..Hα-helixtrans-59.9-45.9174.5-72.2-62.2-69.600111.3F370 A372 K376 R378 L406 L421 C445 F449F370-M374 HydrophobicContact CD2-CG 4.04Å; F370-M374 HydrophobicContact CE1-CG 4.26Å; F370-M374 HydrophobicContact CE2-CG 3.63Å; F370-M374 HydrophobicContact CE2-SD 3.96Å; F370-M374 HydrophobicContact CZ-CG 3.77Å; F370-M374 HydrophobicContact CZ-SD 4.33Å; F370-M374 WeakPolarHBondContact O-CB 3.37Å; F370-M374 VanDerWaalsContact O-CG 3.27Å; F370-M374 WeakPolarHBondContact O-CG 3.39Å; F370-M374 PolarHBondContact O-N 2.93Å; A372-M374 PolarHBondContact O-N 3.29Å; M374-K376 VanDerWaalsContact C-N 3.31Å; M374-K376 PolarHBondContact O-N 3.43Å; M374-R378 PolarHBondContact O-N 3.27Å; M374-L406 HydrophobicContact CG-CD2 4.06Å; M374-L406 HydrophobicContact SD-CD1 4.14Å; M374-L406 HydrophobicContact SD-CD2 3.89Å; M374-L421 HydrophobicContact CE-CD1 4.48Å; M374-L421 HydrophobicContact CE-CD2 3.99Å; M374-C445 HydrophobicContact CE-CB 4.41Å; M374-C445 WeakPolarHBondContact CE-O 3.42Å; M374-C445 VanDerWaalsContact CE-SG 3.52Å; M374-C445 PolarHBondContact O-SG 3.01Å; M374-F449 HydrophobicContact CE-CB 3.99Å; M374-F449 HydrophobicContact SD-CB 3.8Å; M374-F449 HydrophobicContact SD-CD2 4.39Å; M374-F449 HydrophobicContact SD-CG 4.39Å
375R93.4Very high92.9Very high150 Ų15045.7 Ų45.757%0.56621%0.212SC*.Hα-helixtrans-62.8-39.1176.1-73-177.3-67.8145.6-4.2112.1E321 R371 A372 L373 R378E321-R375 IonicContact OE1-NH2 3.94Å; R371-R375 WeakPolarHBondContact O-CG 3.4Å; R371-R375 PolarHBondContact O-N 3.28Å; R371-R375 PolarHBondContact O-NE 2.7Å; A372-R375 PolarHBondContact O-N 2.85Å; A372-R375 VanDerWaalsContact O-N 3.16Å; L373-R375 PolarHBondContact O-N 3.41Å; R375-R378 WeakPolarHBondContact O-CB 3.03Å
376K94.4Very high92.4Very high19 Ų1945.4 Ų45.48%0.08321%0.209CC..Hα-helixtrans-76.5-34.2-176.6-74.9-66.3-171.8173.80114.4T320 A322 G324 E330 A372 L373 M374 R378 Y398T320-K376 WeakPolarHBondContact O-CE 3.44Å; A322-K376 WeakPolarHBondContact O-CE 3.41Å; A322-K376 PolarHBondContact O-NZ 3.25Å; G324-K376 PolarHBondContact O-NZ 3.17Å; E330-K376 VanDerWaalsContact CD-NZ 3.33Å; E330-K376 IonicContact OE1-NZ 3.1Å; E330-K376 PolarHBondContact OE1-NZ 2.87Å; A372-K376 WeakPolarHBondContact O-CB 3.31Å; A372-K376 VanDerWaalsContact O-CG 3.31Å; A372-K376 WeakPolarHBondContact O-CG 3.09Å; A372-K376 PolarHBondContact O-N 3.44Å; L373-K376 PolarHBondContact O-N 2.93Å; M374-K376 VanDerWaalsContact C-N 3.31Å; M374-K376 PolarHBondContact O-N 3.43Å; K376-R378 PolarHBondContact O-N 2.95Å; K376-Y398 HydrophobicContact CB-CE1 4.06Å; K376-Y398 WeakPolarHBondContact CB-OH 3.33Å
377A94.5Very high91.8Very high0 Ų051 Ų510%025%0.248CC..THydrogen-bonded Turntrans-82.3-2.7177.400000113.1L373 L379 R399 C402 F448L373-A377 WeakPolarHBondContact O-CB 3.49Å; L373-A377 PolarHBondContact O-N 3.41Å; A377-L379 PolarHBondContact O-N 3.49Å; A377-R399 PolarHBondContact O-NE 3.04Å; A377-C402 HydrophobicContact CB-CB 3.88Å; A377-F448 HydrophobicContact CB-CD1 4.18Å; A377-F448 HydrophobicContact CB-CE1 3.83Å
378R92.2Very high91.4Very high95 Ų9552.3 Ų52.336%0.35826%0.255SS..  trans-67.5126.6-177.8-169.2173.179177.36110.5M374 R375 K376 E441 D442 C445M374-R378 PolarHBondContact O-N 3.27Å; R375-R378 WeakPolarHBondContact O-CB 3.03Å; K376-R378 PolarHBondContact O-N 2.95Å; R378-E441 HydrophobicContact CG-CB 3.93Å; R378-E441 IonicContact CZ-OE2 3.33Å; R378-E441 IonicContact NE-OE2 3.38Å; R378-E441 PolarHBondContact NE-OE2 3.15Å; R378-E441 IonicContact NH2-OE2 3.12Å; R378-E441 PolarHBondContact NH2-OE2 3.41Å; R378-D442 VanDerWaalsContact CD-OD1 3.31Å; R378-D442 WeakPolarHBondContact CD-OD1 3.41Å; R378-D442 IonicContact CZ-OD1 2.98Å; R378-D442 IonicContact NE-OD1 3.38Å; R378-D442 IonicContact NH1-OD1 2.89Å; R378-D442 PolarHBondContact NH1-OD1 3.19Å; R378-C445 HydrophobicContact CB-CB 4.34Å; R378-C445 HydrophobicContact CG-CB 4.11Å
379L90.2Very high91Very high13 Ų1354.4 Ų54.47%0.06828%0.276CS..  trans-70.9138.7172.7-170.862.6000109.7A377 L384 F395 W440 E441 E444 Y482A377-L379 PolarHBondContact O-N 3.49Å; L379-L384 HydrophobicContact CD1-CD2 3.89Å; L379-L384 HydrophobicContact CD1-CG 3.95Å; L379-L384 HydrophobicContact CD2-CD1 4.26Å; L379-L384 HydrophobicContact CD2-CD2 4.02Å; L379-L384 HydrophobicContact CD2-CG 4.27Å; L379-L384 HydrophobicContact CG-CD1 4.25Å; L379-L384 HydrophobicContact CG-CD2 4.2Å; L379-L384 HydrophobicContact CG-CG 4.04Å; L379-F395 HydrophobicContact CD1-CE1 4.01Å; L379-W440 HydrophobicContact CD2-CH2 4.23Å; L379-W440 HydrophobicContact CD2-CZ3 3.96Å; L379-W440 HydrophobicContact CG-CH2 4.19Å; L379-W440 HydrophobicContact CG-CZ3 4.27Å; L379-E441 WeakPolarHBondContact O-CB 3.31Å; L379-E441 WeakPolarHBondContact O-CG 3.17Å; L379-E444 HydrophobicContact CD2-CG 4.45Å; L379-Y482 HydrophobicContact CD2-CD1 4.27Å
380S87.2Confident90.6Very high16 Ų1660.4 Ų60.411%0.11230%0.304CS..  trans-131.7161.1175.773.20000112.3Q382 L383 L384 E441S380-Q382 PolarHBondContact O-N 3.37Å; S380-L383 PolarHBondContact O-N 3.01Å; S380-L383 VanDerWaalsContact O-N 3.12Å; S380-L383 WeakPolarHBondContact OG-CG 3.45Å; S380-L383 PolarHBondContact OG-N 3.46Å; S380-L384 WeakPolarHBondContact O-CG 3.43Å; S380-L384 PolarHBondContact O-N 3.25Å; S380-E441 VanDerWaalsContact CA-OE1 3.24Å; S380-E441 WeakPolarHBondContact CA-OE1 3.47Å; S380-E441 WeakPolarHBondContact CB-OE1 3.5Å
381E84.6Confident90.2Very high129 Ų12960.9 Ų60.960%0.60331%0.307SS*.Hα-helixtrans-58.6-33.8175.2-67.7-173.6177.300112.6L384 S385 W440 E441E381-L384 PolarHBondContact O-N 3.35Å; E381-S385 WeakPolarHBondContact O-CB 3.42Å; E381-S385 PolarHBondContact O-N 3.41Å; E381-S385 PolarHBondContact O-OG 2.95Å; E381-W440 HydrophobicContact CG-CZ2 3.93Å; E381-E441 PolarHBondContact N-OE1 3.03Å
382Q84.8Confident89.8Confident123 Ų12359.9 Ų59.958%0.57531%0.306SS*.Hα-helixtrans-64.2-44175.2-69177.6-27.700111.5L328 S380 L384 S385 I386L328-Q382 HydrophobicContact CD1-CB 4.49Å; S380-Q382 PolarHBondContact O-N 3.37Å; Q382-L384 VanDerWaalsContact C-N 3.35Å; Q382-S385 PolarHBondContact O-N 3.17Å; Q382-S385 PolarHBondContact O-OG 2.94Å; Q382-I386 PolarHBondContact O-N 3.3Å
383L86.1Confident89.6Confident9 Ų965 Ų655%0.04733%0.33CS..Hα-helixtrans-68.8-34.1178.2-68.2169.5000112.2A325 Y326 L328 S380 S385 I386 F395A325-L383 HydrophobicContact CB-CD2 4.35Å; Y326-L383 WeakPolarHBondContact O-CD2 3.36Å; L328-L383 HydrophobicContact CD1-CD2 3.96Å; L328-L383 HydrophobicContact CG-CD2 4.25Å; S380-L383 PolarHBondContact O-N 3.01Å; S380-L383 VanDerWaalsContact O-N 3.12Å; S380-L383 WeakPolarHBondContact OG-CG 3.45Å; S380-L383 PolarHBondContact OG-N 3.46Å; L383-S385 VanDerWaalsContact C-N 3.34Å; L383-I386 HydrophobicContact CB-CD1 4.5Å; L383-I386 HydrophobicContact CD2-CD1 3.91Å; L383-I386 WeakPolarHBondContact O-CD1 3.48Å; L383-I386 VanDerWaalsContact O-CG1 3.28Å; L383-I386 WeakPolarHBondContact O-CG1 3.41Å; L383-F395 HydrophobicContact CD1-CD2 4.15Å; L383-F395 HydrophobicContact CD1-CE1 4.2Å; L383-F395 HydrophobicContact CD1-CE2 3.59Å; L383-F395 HydrophobicContact CD1-CZ 3.63Å; L383-F395 HydrophobicContact CD2-CD2 4.12Å; L383-F395 HydrophobicContact CD2-CE2 4.4Å; L383-F395 HydrophobicContact CD2-CG 4.35Å
384L86.4Confident89.4Confident52 Ų5267 Ų6727%0.27234%0.34SS..Hα-helixtrans-69.8-31.2176.1-74.7172.3000113.1L379 S380 E381 Q382 W440 Y482L379-L384 HydrophobicContact CD1-CD2 3.89Å; L379-L384 HydrophobicContact CD1-CG 3.95Å; L379-L384 HydrophobicContact CD2-CD1 4.26Å; L379-L384 HydrophobicContact CD2-CD2 4.02Å; L379-L384 HydrophobicContact CD2-CG 4.27Å; L379-L384 HydrophobicContact CG-CD1 4.25Å; L379-L384 HydrophobicContact CG-CD2 4.2Å; L379-L384 HydrophobicContact CG-CG 4.04Å; S380-L384 WeakPolarHBondContact O-CG 3.43Å; S380-L384 PolarHBondContact O-N 3.25Å; E381-L384 PolarHBondContact O-N 3.35Å; Q382-L384 VanDerWaalsContact C-N 3.35Å; L384-W440 HydrophobicContact CD1-CH2 3.47Å; L384-W440 VanDerWaalsContact CD1-CH2 3.47Å; L384-W440 HydrophobicContact CD1-CZ2 4.08Å; L384-W440 HydrophobicContact CD1-CZ3 4.38Å; L384-Y482 HydrophobicContact CD1-CD1 4.29Å; L384-Y482 HydrophobicContact CD1-CD2 4.08Å; L384-Y482 HydrophobicContact CD1-CE1 3.79Å; L384-Y482 HydrophobicContact CD1-CE2 3.57Å; L384-Y482 HydrophobicContact CD1-CG 4.42Å; L384-Y482 VanDerWaalsContact CD1-CZ 3.4Å; L384-Y482 HydrophobicContact CD2-CD1 4.3Å; L384-Y482 HydrophobicContact CD2-CE1 3.59Å; L384-Y482 HydrophobicContact CG-CE1 4.35Å
385S85.5Confident89.4Confident91 Ų9167 Ų6764%0.63634%0.34SS*.THydrogen-bonded Turntrans-87.3-0.1-178.155.60000114.4E381 Q382 L383 S387E381-S385 WeakPolarHBondContact O-CB 3.42Å; E381-S385 PolarHBondContact O-N 3.41Å; E381-S385 PolarHBondContact O-OG 2.95Å; Q382-S385 PolarHBondContact O-N 3.17Å; Q382-S385 PolarHBondContact O-OG 2.94Å; L383-S385 VanDerWaalsContact C-N 3.34Å; S385-S387 PolarHBondContact O-N 2.98Å
386I85.7Confident89.4Confident14 Ų1465.8 Ų65.87%0.07234%0.339CS..  trans-54121.4174.7-62.7177.4000109.8L328 Q382 L383 D388 C391 K392L328-I386 HydrophobicContact CD1-CD1 3.89Å; L328-I386 HydrophobicContact CD1-CG1 3.96Å; L328-I386 HydrophobicContact CD2-CD1 3.82Å; L328-I386 HydrophobicContact CD2-CG1 3.99Å; L328-I386 HydrophobicContact CG-CD1 3.9Å; L328-I386 HydrophobicContact CG-CG1 4.33Å; Q382-I386 PolarHBondContact O-N 3.3Å; L383-I386 HydrophobicContact CB-CD1 4.5Å; L383-I386 HydrophobicContact CD2-CD1 3.91Å; L383-I386 WeakPolarHBondContact O-CD1 3.48Å; L383-I386 VanDerWaalsContact O-CG1 3.28Å; L383-I386 WeakPolarHBondContact O-CG1 3.41Å; I386-D388 HydrophobicContact CG2-CB 4.12Å; I386-D388 VanDerWaalsContact CG2-O 3.28Å; I386-D388 WeakPolarHBondContact CG2-O 3.49Å; I386-C391 HydrophobicContact CD1-CB 4.45Å; I386-C391 HydrophobicContact CG2-CB 3.73Å; I386-K392 HydrophobicContact CB-CG 4.1Å; I386-K392 HydrophobicContact CG2-CG 3.98Å; I386-K392 WeakPolarHBondContact O-CE 3.28Å; I386-K392 PolarHBondContact O-NZ 3.36Å
387S85.1Confident89.4Confident116 Ų11667.9 Ų67.981%0.81136%0.359SS*.  trans-83.4-30.4174.251.80000112.4S385 T389S385-S387 PolarHBondContact O-N 2.98Å; S387-T389 PolarHBondContact O-N 2.89Å
388D89.1Confident89.5Confident69 Ų6968 Ų6837%0.36936%0.36SS..  trans-68.5121.4-179.7-177.14.3000112.1I386 E390 C391 K392I386-D388 HydrophobicContact CG2-CB 4.12Å; I386-D388 VanDerWaalsContact CG2-O 3.28Å; I386-D388 WeakPolarHBondContact CG2-O 3.49Å; D388-E390 VanDerWaalsContact C-N 3.35Å; D388-E390 PolarHBondContact OD1-N 2.93Å; D388-C391 HydrophobicContact CB-CB 4.09Å; D388-C391 PolarHBondContact OD2-SG 3.37Å; D388-K392 PolarHBondContact O-N 3.06Å
389T89.1Confident89.6Confident109 Ų10965.2 Ų65.267%0.66935%0.35SS*.Hα-helixtrans-67.8-33178.447.70000112.8S387 K392 E393S387-T389 PolarHBondContact O-N 2.89Å; T389-K392 PolarHBondContact O-N 2.94Å; T389-E393 PolarHBondContact O-N 3.29Å; T389-E393 VanDerWaalsContact O-N 3.14Å
390E89.6Confident89.9Confident126 Ų12668.9 Ų68.959%0.58937%0.366SS*.Hα-helixtrans-67.9-50.6179.1-172.2176.5174.700109.9D388 K392 E393 D394D388-E390 VanDerWaalsContact C-N 3.35Å; D388-E390 PolarHBondContact OD1-N 2.93Å; E390-K392 PolarHBondContact O-N 2.98Å; E390-E393 PolarHBondContact O-N 2.88Å; E390-E393 VanDerWaalsContact O-N 3.1Å; E390-D394 PolarHBondContact O-N 3.41Å
391C90Very high90.3Very high13 Ų1369.7 Ų69.79%0.08837%0.372CS..Hα-helixtrans-57.8-34.2175.4-72.10000113.3P327 I386 D388 F395P327-C391 HydrophobicContact CG-CB 3.99Å; P327-C391 WeakPolarHBondContact CG-O 3.47Å; I386-C391 HydrophobicContact CD1-CB 4.45Å; I386-C391 HydrophobicContact CG2-CB 3.73Å; D388-C391 HydrophobicContact CB-CB 4.09Å; D388-C391 PolarHBondContact OD2-SG 3.37Å; C391-F395 WeakPolarHBondContact O-CB 3.33Å; C391-F395 PolarHBondContact O-N 3.38Å
392K88.9Confident90.8Very high94 Ų9463.5 Ų63.541%0.40934%0.343SS..Hα-helixtrans-66.8-43.7175.4-86172.7157.7159.70112.6I386 D388 T389 E390 K396I386-K392 HydrophobicContact CB-CG 4.1Å; I386-K392 HydrophobicContact CG2-CG 3.98Å; I386-K392 WeakPolarHBondContact O-CE 3.28Å; I386-K392 PolarHBondContact O-NZ 3.36Å; D388-K392 PolarHBondContact O-N 3.06Å; T389-K392 PolarHBondContact O-N 2.94Å; E390-K392 PolarHBondContact O-N 2.98Å; K392-K396 WeakPolarHBondContact O-CB 3.43Å; K392-K396 PolarHBondContact O-N 2.9Å; K392-K396 VanDerWaalsContact O-N 3.09Å
393E92.3Very high91.4Very high109 Ų10960 Ų6051%0.50933%0.326SS..Hα-helixtrans-70.8-36.7176.2-69.5-60.7142.900111.3T389 E390 K396 A397T389-E393 PolarHBondContact O-N 3.29Å; T389-E393 VanDerWaalsContact O-N 3.14Å; E390-E393 PolarHBondContact O-N 2.88Å; E390-E393 VanDerWaalsContact O-N 3.1Å; E393-K396 PolarHBondContact O-N 3.06Å; E393-K396 IonicContact OE1-NZ 2.61Å; E393-K396 PolarHBondContact OE1-NZ 2.99Å; E393-K396 IonicContact OE2-NZ 3.35Å; E393-K396 PolarHBondContact OE2-NZ 3.39Å; E393-A397 WeakPolarHBondContact O-CB 3.45Å; E393-A397 PolarHBondContact O-N 3.38Å
394D93.4Very high91.8Very high41 Ų4163.4 Ų63.422%0.21934%0.344CS..Hα-helixtrans-57.8-49.8172.2-81.1-4.7000111.1Y326 P327 R331 E390 K396 A397 Y398Y326-D394 HydrophobicContact CE1-CB 4.2Å; P327-D394 HydrophobicContact CB-CB 4.21Å; P327-D394 HydrophobicContact CG-CB 4.02Å; R331-D394 IonicContact NH1-OD2 2.81Å; E390-D394 PolarHBondContact O-N 3.41Å; D394-K396 VanDerWaalsContact C-N 3.3Å; D394-K396 PolarHBondContact O-N 3.02Å; D394-A397 PolarHBondContact O-N 2.94Å; D394-Y398 VanDerWaalsContact O-CB 3.32Å; D394-Y398 WeakPolarHBondContact O-CB 3.35Å; D394-Y398 PolarHBondContact O-N 2.76Å
395F94.7Very high92.4Very high18 Ų1861.1 Ų61.18%0.07933%0.332CS..Hα-helixtrans-61.5-40177.3179-113.3000112Y326 L379 L383 C391 Y398 R399Y326-F395 VanDerWaalsContact O-CD2 3.29Å; Y326-F395 WeakPolarHBondContact O-CD2 3.43Å; L379-F395 HydrophobicContact CD1-CE1 4.01Å; L383-F395 HydrophobicContact CD1-CD2 4.15Å; L383-F395 HydrophobicContact CD1-CE1 4.2Å; L383-F395 HydrophobicContact CD1-CE2 3.59Å; L383-F395 HydrophobicContact CD1-CZ 3.63Å; L383-F395 HydrophobicContact CD2-CD2 4.12Å; L383-F395 HydrophobicContact CD2-CE2 4.4Å; L383-F395 HydrophobicContact CD2-CG 4.35Å; C391-F395 WeakPolarHBondContact O-CB 3.33Å; C391-F395 PolarHBondContact O-N 3.38Å; F395-Y398 WeakPolarHBondContact O-CB 3.5Å; F395-Y398 PolarHBondContact O-N 3.48Å; F395-R399 VanDerWaalsContact O-CB 3.26Å; F395-R399 WeakPolarHBondContact O-CB 3.17Å; F395-R399 PolarHBondContact O-N 3.07Å
396K93.2Very high92.9Very high125 Ų12556.8 Ų56.854%0.54330%0.302SS..Hα-helixtrans-65.5-42.9178.5178.8176.9153.9-145.70111.9K392 E393 D394 R399 E400K392-K396 WeakPolarHBondContact O-CB 3.43Å; K392-K396 PolarHBondContact O-N 2.9Å; K392-K396 VanDerWaalsContact O-N 3.09Å; E393-K396 PolarHBondContact O-N 3.06Å; E393-K396 IonicContact OE1-NZ 2.61Å; E393-K396 PolarHBondContact OE1-NZ 2.99Å; E393-K396 IonicContact OE2-NZ 3.35Å; E393-K396 PolarHBondContact OE2-NZ 3.39Å; D394-K396 VanDerWaalsContact C-N 3.3Å; D394-K396 PolarHBondContact O-N 3.02Å; K396-R399 PolarHBondContact O-N 3.49Å; K396-E400 PolarHBondContact O-N 3.14Å
397A94.8Very high93.5Very high63 Ų6357.3 Ų57.352%0.52131%0.306SS..Hα-helixtrans-64-42.8174.300000111.6E393 D394 R399 E400 S401E393-A397 WeakPolarHBondContact O-CB 3.45Å; E393-A397 PolarHBondContact O-N 3.38Å; D394-A397 PolarHBondContact O-N 2.94Å; A397-R399 PolarHBondContact O-N 3.5Å; A397-E400 PolarHBondContact O-N 2.88Å; A397-S401 PolarHBondContact O-N 2.95Å
398Y96.1Very high94Very high3 Ų352 Ų521%0.01227%0.269CS..Hα-helixtrans-59.7-45.3174.3-179.8-98.3000112.1Y326 S333 V334 H337 K376 D394 F395 E400 S401 C402Y326-Y398 VanDerWaalsContact CD1-CB 3.43Å; Y326-Y398 AromaticContact CD1-CD1 3.89Å; Y326-Y398 HydrophobicContact CD1-CD1 3.89Å; Y326-Y398 AromaticContact CD1-CD2 3.63Å; Y326-Y398 HydrophobicContact CD1-CD2 3.63Å; Y326-Y398 HydrophobicContact CD1-CE2 4.34Å; Y326-Y398 AromaticContact CD1-CG 3.36Å; Y326-Y398 HydrophobicContact CD1-CG 3.36Å; Y326-Y398 HydrophobicContact CD2-CD2 4.04Å; Y326-Y398 HydrophobicContact CD2-CE2 4.15Å; Y326-Y398 VanDerWaalsContact CE1-CB 3.46Å; Y326-Y398 AromaticContact CE1-CD2 3.9Å; Y326-Y398 HydrophobicContact CE1-CD2 3.9Å; Y326-Y398 AromaticContact CE1-CG 3.8Å; Y326-Y398 HydrophobicContact CE1-CG 3.8Å; Y326-Y398 HydrophobicContact CE2-CD2 4.27Å; Y326-Y398 HydrophobicContact CG-CD1 4.16Å; Y326-Y398 AromaticContact CG-CD2 3.72Å; Y326-Y398 HydrophobicContact CG-CD2 3.72Å; Y326-Y398 HydrophobicContact CG-CE1 4.4Å; Y326-Y398 AromaticContact CG-CE2 3.97Å; Y326-Y398 HydrophobicContact CG-CE2 3.97Å; Y326-Y398 AromaticContact CG-CG 3.81Å; Y326-Y398 HydrophobicContact CG-CG 3.81Å; S333-Y398 WeakPolarHBondContact OG-CE2 3.32Å; S333-Y398 PolarHBondContact OG-OH 3.32Å; V334-Y398 HydrophobicContact CB-CD2 3.69Å; V334-Y398 HydrophobicContact CB-CE2 3.75Å; V334-Y398 HydrophobicContact CG2-CD2 3.74Å; V334-Y398 HydrophobicContact CG2-CE2 4.18Å; H337-Y398 AromaticContact CE1-CD2 3.94Å; H337-Y398 AromaticContact CE1-CE2 3.47Å; H337-Y398 VanDerWaalsContact CE1-CE2 3.47Å; H337-Y398 WeakPolarHBondContact CE1-CE2 3.28Å; H337-Y398 AromaticContact CE1-CZ 3.89Å; H337-Y398 AromaticContact NE2-CE2 3.82Å; K376-Y398 HydrophobicContact CB-CE1 4.06Å; K376-Y398 WeakPolarHBondContact CB-OH 3.33Å; D394-Y398 VanDerWaalsContact O-CB 3.32Å; D394-Y398 WeakPolarHBondContact O-CB 3.35Å; D394-Y398 PolarHBondContact O-N 2.76Å; F395-Y398 WeakPolarHBondContact O-CB 3.5Å; F395-Y398 PolarHBondContact O-N 3.48Å; Y398-E400 VanDerWaalsContact C-N 3.34Å; Y398-E400 PolarHBondContact O-N 3.38Å; Y398-S401 CarbonylContact O-C 3.46Å; Y398-S401 WeakPolarHBondContact O-CB 3.24Å; Y398-S401 PolarHBondContact O-N 3.05Å; Y398-S401 VanDerWaalsContact O-N 3.12Å; Y398-C402 VanDerWaalsContact CE1-SG 3.53Å; Y398-C402 PolarHBondContact O-N 3.42Å; Y398-C402 PolarHBondContact O-SG 3.14Å
399R95.5Very high94.3Very high37 Ų3748.7 Ų48.714%0.1425%0.251CS..Hα-helixtrans-63.2-39.8178.6-166.7173.5-172.1-168.83.3111.7A377 F395 K396 A397 C402 K403 E444 F448A377-R399 PolarHBondContact O-NE 3.04Å; F395-R399 VanDerWaalsContact O-CB 3.26Å; F395-R399 WeakPolarHBondContact O-CB 3.17Å; F395-R399 PolarHBondContact O-N 3.07Å; K396-R399 PolarHBondContact O-N 3.49Å; A397-R399 PolarHBondContact O-N 3.5Å; R399-C402 WeakPolarHBondContact O-CB 3.12Å; R399-C402 PolarHBondContact O-N 3.21Å; R399-K403 PolarHBondContact O-N 3.33Å; R399-E444 IonicContact CZ-OE1 3.98Å; R399-E444 VanDerWaalsContact CZ-OE1 3.26Å; R399-E444 IonicContact CZ-OE2 3.78Å; R399-E444 IonicContact NH1-OE1 2.86Å; R399-E444 PolarHBondContact NH1-OE1 3.04Å; R399-E444 IonicContact NH1-OE2 2.63Å; R399-E444 IonicContact NH2-OE1 3.9Å; R399-E444 PolarHBondContact NH2-OE1 2.88Å; R399-E444 IonicContact NH2-OE2 2.8Å; R399-E444 PolarHBondContact NH2-OE2 3.3Å; R399-F448 HydrophobicContact CG-CE1 4.16Å; R399-F448 HydrophobicContact CG-CE2 3.81Å; R399-F448 HydrophobicContact CG-CZ 3.57Å; R399-F448 WeakPolarHBondContact O-CZ 3.31Å
400E95.3Very high94.6Very high90 Ų9044.6 Ų44.642%0.42122%0.223SC..Hα-helixtrans-64.6-40172.5-164.366.1-163.700111.4K396 A397 Y398 C402 K403 D404K396-E400 PolarHBondContact O-N 3.14Å; A397-E400 PolarHBondContact O-N 2.88Å; Y398-E400 VanDerWaalsContact C-N 3.34Å; Y398-E400 PolarHBondContact O-N 3.38Å; E400-C402 VanDerWaalsContact C-N 3.33Å; E400-C402 PolarHBondContact O-N 3.2Å; E400-K403 WeakPolarHBondContact O-CA 3.45Å; E400-K403 WeakPolarHBondContact O-CB 3.49Å; E400-K403 PolarHBondContact O-N 3.01Å; E400-K403 WeakPolarHBondContact OE1-CD 3.42Å; E400-K403 IonicContact OE1-NZ 3.81Å; E400-K403 PolarHBondContact OE1-NZ 3.5Å; E400-K403 IonicContact OE2-NZ 2.73Å; E400-D404 PolarHBondContact O-N 2.96Å; E400-D404 VanDerWaalsContact O-N 3.13Å
401S95.3Very high94.8Very high32 Ų3242.4 Ų42.422%0.22421%0.214CC..Hα-helixtrans-64.4-35.5174.4-172.20000112.9H337 A397 Y398 K403 D404 N405H337-S401 WeakPolarHBondContact CB-OG 3.45Å; H337-S401 WeakPolarHBondContact ND1-CB 3.36Å; H337-S401 PolarHBondContact ND1-OG 3.3Å; A397-S401 PolarHBondContact O-N 2.95Å; Y398-S401 CarbonylContact O-C 3.46Å; Y398-S401 WeakPolarHBondContact O-CB 3.24Å; Y398-S401 PolarHBondContact O-N 3.05Å; Y398-S401 VanDerWaalsContact O-N 3.12Å; S401-K403 VanDerWaalsContact C-N 3.32Å; S401-D404 PolarHBondContact O-N 3.41Å; S401-N405 PolarHBondContact O-N 2.89Å; S401-N405 PolarHBondContact O-ND2 3.07Å
402C96.9Very high95Very high0 Ų042.1 Ų42.10%021%0.212CC..Hα-helixtrans-63.4-38.9169.6-68.20000111.5L373 A377 Y398 R399 E400 D404 N405 L406L373-C402 HydrophobicContact CD2-CB 4.35Å; A377-C402 HydrophobicContact CB-CB 3.88Å; Y398-C402 VanDerWaalsContact CE1-SG 3.53Å; Y398-C402 PolarHBondContact O-N 3.42Å; Y398-C402 PolarHBondContact O-SG 3.14Å; R399-C402 WeakPolarHBondContact O-CB 3.12Å; R399-C402 PolarHBondContact O-N 3.21Å; E400-C402 VanDerWaalsContact C-N 3.33Å; E400-C402 PolarHBondContact O-N 3.2Å; C402-D404 VanDerWaalsContact C-N 3.34Å; C402-D404 PolarHBondContact O-N 3.04Å; C402-N405 PolarHBondContact O-N 2.77Å; C402-L406 WeakPolarHBondContact O-CB 3.3Å; C402-L406 WeakPolarHBondContact O-CG 3.37Å; C402-L406 PolarHBondContact O-N 3.36Å
403K96.2Very high95.2Very high49 Ų4938.5 Ų38.521%0.21320%0.197CC..Hα-helixtrans-57.3-46.3177.4-166-174.5148.3-159.20111.4R399 E400 S401 N405 L406 T407 F448 S452R399-K403 PolarHBondContact O-N 3.33Å; E400-K403 WeakPolarHBondContact O-CA 3.45Å; E400-K403 WeakPolarHBondContact O-CB 3.49Å; E400-K403 PolarHBondContact O-N 3.01Å; E400-K403 WeakPolarHBondContact OE1-CD 3.42Å; E400-K403 IonicContact OE1-NZ 3.81Å; E400-K403 PolarHBondContact OE1-NZ 3.5Å; E400-K403 IonicContact OE2-NZ 2.73Å; S401-K403 VanDerWaalsContact C-N 3.32Å; K403-N405 PolarHBondContact O-N 3.24Å; K403-L406 PolarHBondContact O-N 3.27Å; K403-T407 WeakPolarHBondContact O-CB 3.14Å; K403-T407 PolarHBondContact O-N 3.32Å; K403-T407 PolarHBondContact O-OG1 3.01Å; K403-F448 HydrophobicContact CB-CZ 3.83Å; K403-F448 HydrophobicContact CG-CZ 4.22Å; K403-S452 VanDerWaalsContact CG-CB 3.43Å; K403-S452 WeakPolarHBondContact CG-OG 3.32Å
404D95.8Very high95.2Very high81 Ų8134.3 Ų34.343%0.43318%0.183SC..Hα-helixtrans-62.6-43.6178.5-67.1-25.6000111.5E400 S401 C402 T407 A408E400-D404 PolarHBondContact O-N 2.96Å; E400-D404 VanDerWaalsContact O-N 3.13Å; S401-D404 PolarHBondContact O-N 3.41Å; C402-D404 VanDerWaalsContact C-N 3.34Å; C402-D404 PolarHBondContact O-N 3.04Å; D404-T407 VanDerWaalsContact O-CB 3.31Å; D404-T407 WeakPolarHBondContact O-CB 3.38Å; D404-T407 PolarHBondContact O-N 3.26Å; D404-A408 PolarHBondContact O-N 3.02Å
405N97Very high95.1Very high4 Ų434.2 Ų34.22%0.02118%0.183CC..Hα-helixtrans-71-35.5177.8-76-71.3000113.2H337 W340 L373 S401 C402 K403 T407 A408 C409H337-N405 PolarHBondContact O-OD1 3.15Å; W340-N405 WeakPolarHBondContact CB-OD1 3.16Å; L373-N405 HydrophobicContact CD1-CB 3.47Å; L373-N405 VanDerWaalsContact CD1-CB 3.47Å; L373-N405 HydrophobicContact CD2-CB 4.33Å; S401-N405 PolarHBondContact O-N 2.89Å; S401-N405 PolarHBondContact O-ND2 3.07Å; C402-N405 PolarHBondContact O-N 2.77Å; K403-N405 PolarHBondContact O-N 3.24Å; N405-T407 VanDerWaalsContact C-N 3.28Å; N405-T407 PolarHBondContact O-N 3.48Å; N405-A408 WeakPolarHBondContact O-CB 3.49Å; N405-A408 PolarHBondContact O-N 3.26Å; N405-C409 PolarHBondContact O-N 2.95Å; N405-C409 PolarHBondContact O-SG 3.46Å; N405-C409 VanDerWaalsContact O-SG 3.35Å
406L97.7Very high95Very high0 Ų037 Ų370%020%0.201CC..Hα-helixtrans-63.6-36.9172-74170.6000111.4F370 L373 M374 C402 K403 C409 Y410 F448 F449F370-L406 HydrophobicContact CD2-CD2 3.64Å; F370-L406 HydrophobicContact CE2-CD2 4.04Å; L373-L406 HydrophobicContact CB-CD2 3.79Å; L373-L406 HydrophobicContact CB-CG 4.12Å; L373-L406 HydrophobicContact CD1-CD2 4.33Å; L373-L406 HydrophobicContact CD1-CG 4.39Å; M374-L406 HydrophobicContact CG-CD2 4.06Å; M374-L406 HydrophobicContact SD-CD1 4.14Å; M374-L406 HydrophobicContact SD-CD2 3.89Å; C402-L406 WeakPolarHBondContact O-CB 3.3Å; C402-L406 WeakPolarHBondContact O-CG 3.37Å; C402-L406 PolarHBondContact O-N 3.36Å; K403-L406 PolarHBondContact O-N 3.27Å; L406-C409 WeakPolarHBondContact O-CB 3.44Å; L406-C409 PolarHBondContact O-N 2.99Å; L406-Y410 PolarHBondContact O-N 3.48Å; L406-F448 HydrophobicContact CD1-CD1 4.18Å; L406-F448 HydrophobicContact CD1-CE1 3.83Å; L406-F449 HydrophobicContact CB-CD2 4.34Å; L406-F449 HydrophobicContact CD2-CD2 4.32Å
407T96.6Very high95.2Very high25 Ų2531.1 Ų31.115%0.15318%0.175CC..Hα-helixtrans-62.9-45.6173.9-58.50000110.4K403 D404 N405 Y410 M411 S452 I456K403-T407 WeakPolarHBondContact O-CB 3.14Å; K403-T407 PolarHBondContact O-N 3.32Å; K403-T407 PolarHBondContact O-OG1 3.01Å; D404-T407 VanDerWaalsContact O-CB 3.31Å; D404-T407 WeakPolarHBondContact O-CB 3.38Å; D404-T407 PolarHBondContact O-N 3.26Å; N405-T407 VanDerWaalsContact C-N 3.28Å; N405-T407 PolarHBondContact O-N 3.48Å; T407-Y410 PolarHBondContact O-N 2.99Å; T407-M411 WeakPolarHBondContact O-CG 3.34Å; T407-M411 PolarHBondContact O-N 3.16Å; T407-S452 PolarHBondContact OG1-O 3.41Å; T407-I456 HydrophobicContact CG2-CD1 3.36Å; T407-I456 HydrophobicContact CG2-CG1 3.94Å; T407-I456 HydrophobicContact CG2-CG2 4.06Å
408A95.6Very high95.1Very high4 Ų428.1 Ų28.13%0.03315%0.15CC..Hα-helixtrans-59.8-44.6173.100000112.6Y344 D404 N405 Y410 M411 L412Y344-A408 HydrophobicContact CD1-CB 3.95Å; Y344-A408 HydrophobicContact CD2-CB 3.81Å; Y344-A408 HydrophobicContact CE1-CB 4.44Å; Y344-A408 HydrophobicContact CE2-CB 4.31Å; Y344-A408 HydrophobicContact CG-CB 3.6Å; D404-A408 PolarHBondContact O-N 3.02Å; N405-A408 WeakPolarHBondContact O-CB 3.49Å; N405-A408 PolarHBondContact O-N 3.26Å; A408-Y410 VanDerWaalsContact C-N 3.33Å; A408-Y410 PolarHBondContact O-N 2.98Å; A408-M411 PolarHBondContact O-N 3.3Å; A408-L412 PolarHBondContact O-N 3.23Å
409C96.9Very high95Very high0 Ų033.2 Ų33.20%017%0.174CC..Hα-helixtrans-55.8-46.4173.6-71.90000111.7F370 N405 L406 L412 L413 L417F370-C409 HydrophobicContact CB-CB 4.21Å; N405-C409 PolarHBondContact O-N 2.95Å; N405-C409 PolarHBondContact O-SG 3.46Å; N405-C409 VanDerWaalsContact O-SG 3.35Å; L406-C409 WeakPolarHBondContact O-CB 3.44Å; L406-C409 PolarHBondContact O-N 2.99Å; C409-L412 PolarHBondContact O-N 2.93Å; C409-L413 WeakPolarHBondContact O-CB 3.49Å; C409-L413 PolarHBondContact O-N 3.24Å; C409-L417 HydrophobicContact CB-CD1 3.91Å
410Y95.8Very high95Very high22 Ų2234.1 Ų34.19%0.08618%0.18CC..Hα-helixtrans-67-37.8178.4179.5-96.5000112.8L406 T407 A408 L412 G414 F449 I453 I456 V457L406-Y410 PolarHBondContact O-N 3.48Å; T407-Y410 PolarHBondContact O-N 2.99Å; A408-Y410 VanDerWaalsContact C-N 3.33Å; A408-Y410 PolarHBondContact O-N 2.98Å; Y410-L412 PolarHBondContact O-N 3.49Å; Y410-G414 WeakPolarHBondContact O-CA 3.21Å; Y410-G414 PolarHBondContact O-N 3.24Å; Y410-F449 AromaticContact CD2-CZ 3.97Å; Y410-F449 HydrophobicContact CD2-CZ 3.97Å; Y410-F449 HydrophobicContact CG-CZ 4.5Å; Y410-I453 HydrophobicContact CD1-CB 4.07Å; Y410-I453 HydrophobicContact CD1-CG2 3.98Å; Y410-I453 HydrophobicContact CD2-CD1 4.04Å; Y410-I453 HydrophobicContact CD2-CG2 4.24Å; Y410-I453 HydrophobicContact CE1-CB 4.46Å; Y410-I453 HydrophobicContact CE1-CD1 4.4Å; Y410-I453 HydrophobicContact CE2-CD1 3.91Å; Y410-I453 HydrophobicContact CG-CB 4.2Å; Y410-I453 HydrophobicContact CG-CD1 4.33Å; Y410-I453 HydrophobicContact CG-CG2 3.65Å; Y410-I456 HydrophobicContact CD1-CD1 3.57Å; Y410-I456 HydrophobicContact CD1-CG1 4.25Å; Y410-I456 HydrophobicContact CE1-CD1 4.28Å; Y410-V457 HydrophobicContact CE1-CG2 4.42Å
411M93.8Very high94.9Very high81 Ų8130.4 Ų30.440%0.39916%0.163SC..Hα-helixtrans-60.1-32.6176.1-74.5-64.4-78.500113Y344 T407 A408 I456Y344-M411 HydrophobicContact CE2-CB 3.68Å; T407-M411 WeakPolarHBondContact O-CG 3.34Å; T407-M411 PolarHBondContact O-N 3.16Å; A408-M411 PolarHBondContact O-N 3.3Å; M411-I456 HydrophobicContact CG-CD1 3.46Å; M411-I456 VanDerWaalsContact CG-CD1 3.46Å; M411-I456 HydrophobicContact SD-CB 4Å; M411-I456 HydrophobicContact SD-CD1 3.49Å; M411-I456 WeakPolarHBondContact SD-CD1 3.42Å; M411-I456 HydrophobicContact SD-CG1 4.31Å; M411-I456 HydrophobicContact SD-CG2 4.44Å
412L93.2Very high94.8Very high7 Ų729.6 Ų29.64%0.03716%0.156CC..Hα-helixtrans-85.8-44.3178.7-68-178.2000113.4Y344 V347 V348 Y353 W359 F366 A408 C409 Y410Y344-L412 HydrophobicContact CD2-CD1 3.93Å; Y344-L412 HydrophobicContact CD2-CD2 4.12Å; Y344-L412 HydrophobicContact CD2-CG 3.79Å; Y344-L412 HydrophobicContact CE2-CD2 4.19Å; Y344-L412 HydrophobicContact CE2-CG 4.07Å; V347-L412 HydrophobicContact CG1-CD1 4.34Å; V347-L412 HydrophobicContact CG1-CD2 3.7Å; V348-L412 HydrophobicContact CG2-CD2 4.06Å; Y353-L412 HydrophobicContact CE2-CD2 4.24Å; W359-L412 HydrophobicContact CH2-CB 4.14Å; W359-L412 HydrophobicContact CH2-CD2 4.28Å; W359-L412 HydrophobicContact CZ3-CD2 4.32Å; F366-L412 HydrophobicContact CD1-CD1 3.75Å; F366-L412 HydrophobicContact CD2-CD1 3.58Å; F366-L412 HydrophobicContact CE1-CD1 3.66Å; F366-L412 HydrophobicContact CE2-CD1 3.47Å; F366-L412 VanDerWaalsContact CE2-CD1 3.47Å; F366-L412 HydrophobicContact CG-CD1 3.71Å; F366-L412 HydrophobicContact CZ-CD1 3.52Å; A408-L412 PolarHBondContact O-N 3.23Å; C409-L412 PolarHBondContact O-N 2.93Å; Y410-L412 PolarHBondContact O-N 3.49Å
413L94Very high94.6Very high17 Ų1731.9 Ų31.99%0.08918%0.175CC..Hα-helixtrans-99.4-22.2-170.2-61.3177.4000113.4Q363 F366 L367 C409 V416 L417Q363-L413 HydrophobicContact CB-CD2 3.95Å; Q363-L413 HydrophobicContact CG-CD2 3.93Å; F366-L413 HydrophobicContact CB-CD1 4Å; F366-L413 HydrophobicContact CB-CG 4.4Å; L367-L413 HydrophobicContact CB-CD1 4.17Å; L367-L413 HydrophobicContact CD1-CD1 4.39Å; C409-L413 WeakPolarHBondContact O-CB 3.49Å; C409-L413 PolarHBondContact O-N 3.24Å; L413-V416 WeakPolarHBondContact O-CG2 3.2Å; L413-V416 PolarHBondContact O-N 3.23Å; L413-L417 HydrophobicContact CB-CD1 4.1Å; L413-L417 HydrophobicContact CB-CD2 4.13Å; L413-L417 HydrophobicContact CB-CG 3.8Å; L413-L417 HydrophobicContact CD1-CD1 4.33Å; L413-L417 HydrophobicContact CD1-CD2 3.7Å; L413-L417 HydrophobicContact CD1-CG 4.2Å
414G91.9Very high94.3Very high21 Ų2133 Ų3322%0.21618%0.181CC..THydrogen-bonded Turntrans56.5-133.1175.900000113.5Y410 V416 L417Y410-G414 WeakPolarHBondContact O-CA 3.21Å; Y410-G414 PolarHBondContact O-N 3.24Å; G414-V416 PolarHBondContact O-N 3.14Å; G414-L417 PolarHBondContact O-N 3.09Å; G414-L417 VanDerWaalsContact O-N 3.12Å
415D91.3Very high94Very high40 Ų4029.2 Ų29.221%0.21416%0.16CC..Hα-helixtrans-60.7-18.9-173.2-157.463.6000114.2L417 C418 Q419 G464D415-L417 PolarHBondContact O-N 3.13Å; D415-C418 WeakPolarHBondContact O-CB 3.41Å; D415-C418 PolarHBondContact O-N 2.87Å; D415-Q419 WeakPolarHBondContact O-CG 3.5Å; D415-Q419 PolarHBondContact O-N 2.96Å; D415-Q419 PolarHBondContact OD2-NE2 3.43Å; D415-G464 WeakPolarHBondContact OD1-CA 3.09Å; D415-G464 PolarHBondContact OD1-N 2.87Å
416V92.9Very high93.5Very high77 Ų7735.1 Ų35.147%0.46719%0.188SC..Hα-helixtrans-57.5-41175.2178.90000110.8L413 G414 Q419 E420L413-V416 WeakPolarHBondContact O-CG2 3.2Å; L413-V416 PolarHBondContact O-N 3.23Å; G414-V416 PolarHBondContact O-N 3.14Å; V416-Q419 PolarHBondContact O-N 3.3Å; V416-E420 PolarHBondContact O-N 3.43Å
417L95.7Very high93Very high0 Ų040 Ų400%021%0.213CC..Hα-helixtrans-68.8-40.6177.9-60.6-173.9000111.6L367 F370 C409 L413 G414 D415 Q419 E420 L421 F449L367-L417 HydrophobicContact CD1-CD2 3.79Å; F370-L417 HydrophobicContact CB-CD2 4.29Å; F370-L417 HydrophobicContact CD1-CD2 3.71Å; F370-L417 HydrophobicContact CD2-CD1 3.87Å; F370-L417 HydrophobicContact CD2-CD2 4.22Å; F370-L417 HydrophobicContact CE1-CD2 4.03Å; F370-L417 HydrophobicContact CE2-CB 4.45Å; F370-L417 HydrophobicContact CE2-CD1 4.21Å; F370-L417 HydrophobicContact CG-CD1 4.19Å; F370-L417 HydrophobicContact CG-CD2 3.8Å; F370-L417 HydrophobicContact CZ-CB 4.38Å; F370-L417 HydrophobicContact CZ-CD2 4.4Å; C409-L417 HydrophobicContact CB-CD1 3.91Å; L413-L417 HydrophobicContact CB-CD1 4.1Å; L413-L417 HydrophobicContact CB-CD2 4.13Å; L413-L417 HydrophobicContact CB-CG 3.8Å; L413-L417 HydrophobicContact CD1-CD1 4.33Å; L413-L417 HydrophobicContact CD1-CD2 3.7Å; L413-L417 HydrophobicContact CD1-CG 4.2Å; G414-L417 PolarHBondContact O-N 3.09Å; G414-L417 VanDerWaalsContact O-N 3.12Å; D415-L417 PolarHBondContact O-N 3.13Å; L417-Q419 VanDerWaalsContact C-N 3.29Å; L417-Q419 PolarHBondContact O-N 3.35Å; L417-E420 PolarHBondContact O-N 3.15Å; L417-L421 WeakPolarHBondContact O-CG 3.45Å; L417-L421 PolarHBondContact O-N 3.05Å; L417-F449 HydrophobicContact CB-CZ 4.07Å; L417-F449 HydrophobicContact CD1-CE2 4.37Å; L417-F449 HydrophobicContact CD1-CZ 4.45Å
418C94.7Very high92.4Very high0 Ų039.8 Ų39.80%021%0.211CC..Hα-helixtrans-60.2-42.2174.5-64.80000111.1D415 L421 L422D415-C418 WeakPolarHBondContact O-CB 3.41Å; D415-C418 PolarHBondContact O-N 2.87Å; C418-L421 PolarHBondContact O-N 3.44Å; C418-L422 VanDerWaalsContact O-CB 3.31Å; C418-L422 WeakPolarHBondContact O-CB 3.06Å; C418-L422 WeakPolarHBondContact O-CG 3.43Å; C418-L422 PolarHBondContact O-N 3.2Å
419Q93.6Very high91.7Very high110 Ų11042.8 Ų42.851%0.51423%0.226SC..Hα-helixtrans-63.8-41.2177.9-69.9171.223.200112.2D415 V416 L417 L422 A423D415-Q419 WeakPolarHBondContact O-CG 3.5Å; D415-Q419 PolarHBondContact O-N 2.96Å; D415-Q419 PolarHBondContact OD2-NE2 3.43Å; V416-Q419 PolarHBondContact O-N 3.3Å; L417-Q419 VanDerWaalsContact C-N 3.29Å; L417-Q419 PolarHBondContact O-N 3.35Å; Q419-L422 PolarHBondContact O-N 3.06Å; Q419-A423 WeakPolarHBondContact O-CB 3.42Å; Q419-A423 PolarHBondContact O-N 3.42Å
420E94Very high91Very high57 Ų5746.3 Ų46.327%0.26625%0.251SS..Hα-helixtrans-60-46.3174.8-175.6166146.800111.4L367 R371 V416 L417 A423 H424L367-E420 WeakPolarHBondContact CD1-OE2 3.31Å; R371-E420 IonicContact CZ-OE1 3.86Å; R371-E420 IonicContact CZ-OE2 2.72Å; R371-E420 IonicContact NE-OE1 3.18Å; R371-E420 PolarHBondContact NE-OE1 2.99Å; R371-E420 IonicContact NE-OE2 3.63Å; R371-E420 IonicContact NH2-OE1 3.5Å; R371-E420 PolarHBondContact NH2-OE1 3.45Å; R371-E420 IonicContact NH2-OE2 2.85Å; R371-E420 PolarHBondContact NH2-OE2 3.41Å; V416-E420 PolarHBondContact O-N 3.43Å; L417-E420 PolarHBondContact O-N 3.15Å; E420-A423 PolarHBondContact O-N 2.9Å; E420-H424 PolarHBondContact O-N 3.37Å
421L94.7Very high90Very high11 Ų1149 Ų496%0.05827%0.267CS..Hα-helixtrans-70.7-35.2178.9-65.8-179.3000113.6F370 M374 L417 C418 H424 C425 I446 F449 F450F370-L421 HydrophobicContact CE1-CD2 4.37Å; F370-L421 HydrophobicContact CE2-CD1 4.46Å; F370-L421 HydrophobicContact CZ-CD1 3.94Å; F370-L421 HydrophobicContact CZ-CD2 3.78Å; F370-L421 HydrophobicContact CZ-CG 3.83Å; M374-L421 HydrophobicContact CE-CD1 4.48Å; M374-L421 HydrophobicContact CE-CD2 3.99Å; L417-L421 WeakPolarHBondContact O-CG 3.45Å; L417-L421 PolarHBondContact O-N 3.05Å; C418-L421 PolarHBondContact O-N 3.44Å; L421-H424 PolarHBondContact O-N 2.98Å; L421-C425 PolarHBondContact O-N 2.88Å; L421-C425 PolarHBondContact O-SG 3.32Å; L421-I446 HydrophobicContact CB-CG2 4.47Å; L421-I446 HydrophobicContact CD2-CG1 4.31Å; L421-F449 HydrophobicContact CD1-CB 4.07Å; L421-F449 HydrophobicContact CD1-CD1 3.11Å; L421-F449 HydrophobicContact CD1-CD2 4.37Å; L421-F449 HydrophobicContact CD1-CE1 3.52Å; L421-F449 HydrophobicContact CD1-CG 3.59Å; L421-F449 HydrophobicContact CD1-CZ 4.3Å; L421-F450 HydrophobicContact CD1-CE2 4.48Å
422L93Very high88.3Confident16 Ų1650.2 Ų50.28%0.08428%0.284CS..Hα-helixtrans-65.1-41.4174.5-74.1171.6000110.9C418 Q419 H424 C425 Q426 T467 F468 T472C418-L422 VanDerWaalsContact O-CB 3.31Å; C418-L422 WeakPolarHBondContact O-CB 3.06Å; C418-L422 WeakPolarHBondContact O-CG 3.43Å; C418-L422 PolarHBondContact O-N 3.2Å; Q419-L422 PolarHBondContact O-N 3.06Å; L422-H424 VanDerWaalsContact C-N 3.34Å; L422-C425 WeakPolarHBondContact O-CB 3.36Å; L422-C425 PolarHBondContact O-N 3.49Å; L422-Q426 WeakPolarHBondContact O-CG 3.26Å; L422-Q426 PolarHBondContact O-N 2.91Å; L422-T467 HydrophobicContact CD1-CG2 3.99Å; L422-F468 HydrophobicContact CD2-CB 3.94Å; L422-F468 HydrophobicContact CD2-CD2 4.23Å; L422-T472 HydrophobicContact CD2-CG2 4.28Å; L422-T472 WeakPolarHBondContact CD2-OG1 3.46Å
423A92.4Very high86.4Confident47 Ų4759.5 Ų59.539%0.38832%0.324SS..Hα-helixtrans-63.3-41.8173.500000111.3Q419 E420 Q426 L427Q419-A423 WeakPolarHBondContact O-CB 3.42Å; Q419-A423 PolarHBondContact O-N 3.42Å; E420-A423 PolarHBondContact O-N 2.9Å; A423-Q426 PolarHBondContact O-N 3.36Å; A423-L427 WeakPolarHBondContact O-CG 3.2Å; A423-L427 PolarHBondContact O-N 3.05Å; A423-L427 VanDerWaalsContact O-N 3.09Å
424H90.6Very high84.4Confident74 Ų7462.2 Ų62.234%0.34334%0.338SS..Hα-helixtrans-61.6-45.6174.6-170.768.6000111.9E420 L421 L422 Q426 L427 L428E420-H424 PolarHBondContact O-N 3.37Å; L421-H424 PolarHBondContact O-N 2.98Å; L422-H424 VanDerWaalsContact C-N 3.34Å; H424-Q426 VanDerWaalsContact C-N 3.32Å; H424-Q426 PolarHBondContact O-N 2.94Å; H424-L427 WeakPolarHBondContact O-CB 3.38Å; H424-L427 PolarHBondContact O-N 3.31Å; H424-L427 VanDerWaalsContact O-N 3.16Å; H424-L428 WeakPolarHBondContact O-CG 3.28Å; H424-L428 PolarHBondContact O-N 3.03Å
425C88.5Confident82.5Confident0 Ų063.6 Ų63.60%035%0.347CS..Hα-helixtrans-57.3-42.7173.4-71.10000112.5L421 L422 L427 L428 L429 I446 T472L421-C425 PolarHBondContact O-N 2.88Å; L421-C425 PolarHBondContact O-SG 3.32Å; L422-C425 WeakPolarHBondContact O-CB 3.36Å; L422-C425 PolarHBondContact O-N 3.49Å; C425-L427 VanDerWaalsContact C-N 3.3Å; C425-L427 PolarHBondContact O-N 3.02Å; C425-L428 PolarHBondContact O-N 3.44Å; C425-L429 WeakPolarHBondContact O-CB 3.24Å; C425-L429 VanDerWaalsContact O-CG 3.28Å; C425-L429 WeakPolarHBondContact O-CG 3.42Å; C425-L429 PolarHBondContact O-N 3.42Å; C425-I446 VanDerWaalsContact SG-CD1 3.56Å; C425-T472 HydrophobicContact CB-CG2 3.53Å
426Q87.6Confident80.6Confident128 Ų12863.9 Ų63.960%0.59836%0.355SS*.Hα-helixtrans-62.5-38.9178.6-74.6173.1-1.300111.8L422 A423 H424 L429 S430L422-Q426 WeakPolarHBondContact O-CG 3.26Å; L422-Q426 PolarHBondContact O-N 2.91Å; A423-Q426 PolarHBondContact O-N 3.36Å; H424-Q426 VanDerWaalsContact C-N 3.32Å; H424-Q426 PolarHBondContact O-N 2.94Å; Q426-L429 PolarHBondContact O-N 2.92Å; Q426-S430 WeakPolarHBondContact O-CB 3.36Å; Q426-S430 PolarHBondContact O-N 3.05Å; Q426-S430 PolarHBondContact O-OG 2.77Å
427L86.5Confident78.9Confident102 Ų10263.9 Ų63.953%0.53436%0.358SS..Hα-helixtrans-63.1-47.5174.2-68.5169.8000111A423 H424 C425 L429 S430 N431A423-L427 WeakPolarHBondContact O-CG 3.2Å; A423-L427 PolarHBondContact O-N 3.05Å; A423-L427 VanDerWaalsContact O-N 3.09Å; H424-L427 WeakPolarHBondContact O-CB 3.38Å; H424-L427 PolarHBondContact O-N 3.31Å; H424-L427 VanDerWaalsContact O-N 3.16Å; C425-L427 VanDerWaalsContact C-N 3.3Å; C425-L427 PolarHBondContact O-N 3.02Å; L427-L429 VanDerWaalsContact C-N 3.33Å; L427-L429 PolarHBondContact O-N 3.1Å; L427-S430 PolarHBondContact O-N 2.91Å; L427-S430 PolarHBondContact O-OG 3.42Å; L427-N431 WeakPolarHBondContact O-CB 3.4Å; L427-N431 VanDerWaalsContact O-CG 3.28Å; L427-N431 PolarHBondContact O-N 2.74Å; L427-N431 PolarHBondContact O-ND2 3.07Å
428L83.4Confident77.4Confident22 Ų2270.8 Ų70.812%0.11539%0.39CS..Hα-helixtrans-57.2-45.3176.4-64.7174.2000111.6H424 C425 N431 Q439 D442 V443 I446H424-L428 WeakPolarHBondContact O-CG 3.28Å; H424-L428 PolarHBondContact O-N 3.03Å; C425-L428 PolarHBondContact O-N 3.44Å; L428-N431 PolarHBondContact O-N 3.42Å; L428-Q439 HydrophobicContact CD2-CB 4.4Å; L428-D442 HydrophobicContact CD1-CB 4.27Å; L428-V443 HydrophobicContact CD1-CG2 4.17Å; L428-I446 HydrophobicContact CD1-CD1 4.02Å
429L82.2Confident76.7Confident66 Ų6673 Ų7335%0.34640%0.401SS..Hα-helixtrans-68-35.6178.8-68.5172.2000112.9C425 Q426 L427 N431 A475 L476C425-L429 WeakPolarHBondContact O-CB 3.24Å; C425-L429 VanDerWaalsContact O-CG 3.28Å; C425-L429 WeakPolarHBondContact O-CG 3.42Å; C425-L429 PolarHBondContact O-N 3.42Å; Q426-L429 PolarHBondContact O-N 2.92Å; L427-L429 VanDerWaalsContact C-N 3.33Å; L427-L429 PolarHBondContact O-N 3.1Å; L429-N431 VanDerWaalsContact C-N 3.34Å; L429-A475 HydrophobicContact CD1-CB 4.14Å; L429-A475 VanDerWaalsContact CD2-O 3.3Å; L429-A475 WeakPolarHBondContact CD2-O 3.21Å; L429-L476 HydrophobicContact CD2-CD2 4.46Å
430S81.5Confident76.4Confident75 Ų7568.1 Ų68.152%0.52438%0.377SS..Hα-helixtrans-71.7-29.4178.671.60000112.9Q426 L427 S432Q426-S430 WeakPolarHBondContact O-CB 3.36Å; Q426-S430 PolarHBondContact O-N 3.05Å; Q426-S430 PolarHBondContact O-OG 2.77Å; L427-S430 PolarHBondContact O-N 2.91Å; L427-S430 PolarHBondContact O-OG 3.42Å; S430-S432 PolarHBondContact O-N 2.77Å
431N74.1Confident76.2Confident78 Ų7866.9 Ų66.942%0.41737%0.372SS..THydrogen-bonded Turntrans-81.125.2-174.8-76.2-22.2000114.4L427 L428 L429 K433 I434L427-N431 WeakPolarHBondContact O-CB 3.4Å; L427-N431 VanDerWaalsContact O-CG 3.28Å; L427-N431 PolarHBondContact O-N 2.74Å; L427-N431 PolarHBondContact O-ND2 3.07Å; L428-N431 PolarHBondContact O-N 3.42Å; L429-N431 VanDerWaalsContact C-N 3.34Å; N431-K433 PolarHBondContact O-N 3.4Å; N431-I434 PolarHBondContact O-N 3.06Å
432S58.4Low76Confident107 Ų10768.1 Ų68.175%0.74838%0.378SS*.THydrogen-bonded Turntrans-39.1-13.8-177.359.50000118.9S430S430-S432 PolarHBondContact O-N 2.77Å
433K54.2Low75.9Confident202 Ų20267.6 Ų67.688%0.87838%0.376SS*.THydrogen-bonded Turntrans-76-24.4171.7-69.2-173.9177.6-179.20114.2N431N431-K433 PolarHBondContact O-N 3.4Å
434I51.2Low76Confident74 Ų7465.9 Ų65.938%0.37936%0.36SS..SBendtrans-86.2116.2172.4-57.9172.1000105.3N431 A436 Q439N431-I434 PolarHBondContact O-N 3.06Å; I434-A436 PolarHBondContact O-N 3.35Å; I434-Q439 HydrophobicContact CG2-CG 4.37Å
435A51.5Low76.1Confident50 Ų5062.5 Ų62.541%0.41335%0.345SS..  trans-53129.1-174.300000109.4S437 E438A435-S437 WeakPolarHBondContact CB-OG 3.42Å; A435-S437 PolarHBondContact O-N 3.33Å; A435-E438 PolarHBondContact O-N 3.4Å
436A52.7Low76.4Confident46 Ų4662.7 Ų62.738%0.3835%0.346SS..THydrogen-bonded Turntrans-52.8-16.8175.700000113.1I434 E438 P477I434-A436 PolarHBondContact O-N 3.35Å; A436-E438 VanDerWaalsContact C-N 3.27Å; A436-E438 PolarHBondContact O-N 2.72Å; A436-P477 HydrophobicContact CB-CB 3.83Å; A436-P477 HydrophobicContact CB-CG 4.02Å
437S56.2Low76.9Confident76 Ų7656.6 Ų56.653%0.53132%0.317SS..THydrogen-bonded Turntrans-66.7-18.8172.261.70000114.7A435 W440A435-S437 WeakPolarHBondContact CB-OG 3.42Å; A435-S437 PolarHBondContact O-N 3.33Å; S437-W440 VanDerWaalsContact O-CD1 3.24Å
438E64.1Low77.3Confident145 Ų14552.3 Ų52.368%0.67829%0.294SS*.THydrogen-bonded Turntrans-97.6-19.9-178.5-68.9-176176.100113.4A435 A436A435-E438 PolarHBondContact O-N 3.4Å; A436-E438 VanDerWaalsContact C-N 3.27Å; A436-E438 PolarHBondContact O-N 2.72Å
439Q79.8Confident78Confident46 Ų4651.2 Ų51.222%0.21529%0.289CS..SBendtrans-112.716.2-174.2-65-174-28.100113.9L428 I434 E441 D442 V443L428-Q439 HydrophobicContact CD2-CB 4.4Å; I434-Q439 HydrophobicContact CG2-CG 4.37Å; Q439-E441 PolarHBondContact O-N 2.82Å; Q439-D442 PolarHBondContact O-N 3.06Å; Q439-V443 PolarHBondContact O-N 3.06Å
440W88Confident78.7Confident8 Ų848.1 Ų48.13%0.0327%0.272CS..Hα-helixtrans-62.1-29.2-179.970.6-91.1000112.3L379 E381 L384 S437 V443 E444 N480 Y482 V483L379-W440 HydrophobicContact CD2-CH2 4.23Å; L379-W440 HydrophobicContact CD2-CZ3 3.96Å; L379-W440 HydrophobicContact CG-CH2 4.19Å; L379-W440 HydrophobicContact CG-CZ3 4.27Å; E381-W440 HydrophobicContact CG-CZ2 3.93Å; L384-W440 HydrophobicContact CD1-CH2 3.47Å; L384-W440 VanDerWaalsContact CD1-CH2 3.47Å; L384-W440 HydrophobicContact CD1-CZ2 4.08Å; L384-W440 HydrophobicContact CD1-CZ3 4.38Å; S437-W440 VanDerWaalsContact O-CD1 3.24Å; W440-V443 PolarHBondContact O-N 2.83Å; W440-E444 HydrophobicContact CE3-CB 4.47Å; W440-E444 WeakPolarHBondContact O-CB 2.99Å; W440-E444 PolarHBondContact O-N 3.41Å; W440-N480 HydrophobicContact CB-CB 4Å; W440-N480 HydrophobicContact CG-CB 4.49Å; W440-Y482 HydrophobicContact CE3-CD2 4.25Å; W440-Y482 HydrophobicContact CE3-CG 4.39Å; W440-Y482 HydrophobicContact CH2-CD2 4.07Å; W440-Y482 HydrophobicContact CH2-CG 4.4Å; W440-Y482 AromaticContact CZ3-CD2 3.89Å; W440-Y482 HydrophobicContact CZ3-CD2 3.89Å; W440-Y482 AromaticContact CZ3-CG 3.9Å; W440-Y482 HydrophobicContact CZ3-CG 3.9Å; W440-V483 HydrophobicContact CB-CG2 3.71Å; W440-V483 WeakPolarHBondContact O-CG2 3.32Å
441E90.7Very high79.4Confident32 Ų3245.8 Ų45.815%0.1525%0.253CS..Hα-helixtrans-59.2-45.1176.1-59.8-172.9170.900112.1R378 L379 S380 E381 Q439 E444 C445R378-E441 HydrophobicContact CG-CB 3.93Å; R378-E441 IonicContact CZ-OE2 3.33Å; R378-E441 IonicContact NE-OE2 3.38Å; R378-E441 PolarHBondContact NE-OE2 3.15Å; R378-E441 IonicContact NH2-OE2 3.12Å; R378-E441 PolarHBondContact NH2-OE2 3.41Å; L379-E441 WeakPolarHBondContact O-CB 3.31Å; L379-E441 WeakPolarHBondContact O-CG 3.17Å; S380-E441 VanDerWaalsContact CA-OE1 3.24Å; S380-E441 WeakPolarHBondContact CA-OE1 3.47Å; S380-E441 WeakPolarHBondContact CB-OE1 3.5Å; E381-E441 PolarHBondContact N-OE1 3.03Å; Q439-E441 PolarHBondContact O-N 2.82Å; E441-E444 PolarHBondContact O-N 3.44Å; E441-C445 WeakPolarHBondContact O-CB 3.31Å; E441-C445 PolarHBondContact O-N 3.49Å
442D89.4Confident80.5Confident36 Ų3642.3 Ų42.319%0.19324%0.235CC..Hα-helixtrans-69.4-40.9-179.2-64.8-34.7000110.6R378 L428 Q439 C445 I446R378-D442 VanDerWaalsContact CD-OD1 3.31Å; R378-D442 WeakPolarHBondContact CD-OD1 3.41Å; R378-D442 IonicContact CZ-OD1 2.98Å; R378-D442 IonicContact NE-OD1 3.38Å; R378-D442 IonicContact NH1-OD1 2.89Å; R378-D442 PolarHBondContact NH1-OD1 3.19Å; L428-D442 HydrophobicContact CD1-CB 4.27Å; Q439-D442 PolarHBondContact O-N 3.06Å; D442-C445 PolarHBondContact O-N 3.11Å; D442-I446 WeakPolarHBondContact O-CD1 3.36Å; D442-I446 WeakPolarHBondContact O-CG1 3.19Å; D442-I446 PolarHBondContact O-N 3Å
443V91.6Very high82.2Confident6 Ų637.2 Ų37.24%0.03620%0.199CC..Hα-helixtrans-63.7-44.3176.8-179.20000111.1L428 Q439 W440 C445 I446 L447 L476 V483L428-V443 HydrophobicContact CD1-CG2 4.17Å; Q439-V443 PolarHBondContact O-N 3.06Å; W440-V443 PolarHBondContact O-N 2.83Å; V443-C445 VanDerWaalsContact C-N 3.33Å; V443-C445 PolarHBondContact O-N 3.32Å; V443-I446 PolarHBondContact O-N 3.36Å; V443-L447 HydrophobicContact CG1-CD1 4.11Å; V443-L447 WeakPolarHBondContact O-CD1 3.41Å; V443-L447 VanDerWaalsContact O-CG 3.28Å; V443-L447 WeakPolarHBondContact O-CG 3.41Å; V443-L447 PolarHBondContact O-N 2.96Å; V443-L476 HydrophobicContact CG1-CB 4.39Å; V443-L476 HydrophobicContact CG1-CD1 3.86Å; V443-L476 HydrophobicContact CG1-CD2 4.01Å; V443-L476 HydrophobicContact CG1-CG 4.3Å; V443-L476 HydrophobicContact CG2-CD2 4.45Å; V443-V483 HydrophobicContact CB-CG2 4.26Å; V443-V483 HydrophobicContact CG1-CG1 3.7Å; V443-V483 HydrophobicContact CG1-CG2 4.32Å
444E93.3Very high84.1Confident10 Ų1027.9 Ų27.95%0.04716%0.16CC..Hα-helixtrans-61.2-42.1176.5-168.1-82172.400111.4L379 R399 W440 E441 I446 L447 F448 A486L379-E444 HydrophobicContact CD2-CG 4.45Å; R399-E444 IonicContact CZ-OE1 3.98Å; R399-E444 VanDerWaalsContact CZ-OE1 3.26Å; R399-E444 IonicContact CZ-OE2 3.78Å; R399-E444 IonicContact NH1-OE1 2.86Å; R399-E444 PolarHBondContact NH1-OE1 3.04Å; R399-E444 IonicContact NH1-OE2 2.63Å; R399-E444 IonicContact NH2-OE1 3.9Å; R399-E444 PolarHBondContact NH2-OE1 2.88Å; R399-E444 IonicContact NH2-OE2 2.8Å; R399-E444 PolarHBondContact NH2-OE2 3.3Å; W440-E444 HydrophobicContact CE3-CB 4.47Å; W440-E444 WeakPolarHBondContact O-CB 2.99Å; W440-E444 PolarHBondContact O-N 3.41Å; E441-E444 PolarHBondContact O-N 3.44Å; E444-I446 PolarHBondContact O-N 2.85Å; E444-L447 WeakPolarHBondContact O-CB 3.36Å; E444-L447 PolarHBondContact O-N 3.45Å; E444-F448 WeakPolarHBondContact O-CB 3.18Å; E444-F448 PolarHBondContact O-N 3.01Å; E444-A486 HydrophobicContact CG-CB 4.01Å
445C93.8Very high86.1Confident4 Ų431.6 Ų31.63%0.02718%0.18CC..Hα-helixtrans-65-40178.1-170.60000112.6M374 R378 E441 D442 V443 L447 F448 F449M374-C445 HydrophobicContact CE-CB 4.41Å; M374-C445 WeakPolarHBondContact CE-O 3.42Å; M374-C445 VanDerWaalsContact CE-SG 3.52Å; M374-C445 PolarHBondContact O-SG 3.01Å; R378-C445 HydrophobicContact CB-CB 4.34Å; R378-C445 HydrophobicContact CG-CB 4.11Å; E441-C445 WeakPolarHBondContact O-CB 3.31Å; E441-C445 PolarHBondContact O-N 3.49Å; D442-C445 PolarHBondContact O-N 3.11Å; V443-C445 VanDerWaalsContact C-N 3.33Å; V443-C445 PolarHBondContact O-N 3.32Å; C445-L447 VanDerWaalsContact C-N 3.33Å; C445-L447 PolarHBondContact O-N 2.81Å; C445-F448 WeakPolarHBondContact O-CB 3.39Å; C445-F448 PolarHBondContact O-N 3.16Å; C445-F449 PolarHBondContact O-N 2.93Å
446I95.2Very high88Confident3 Ų332 Ų322%0.01518%0.175CC..Hα-helixtrans-61.6-44.1173.8-65.1161.6000110.5L421 C425 L428 D442 V443 E444 F448 F449 F450 F468L421-I446 HydrophobicContact CB-CG2 4.47Å; L421-I446 HydrophobicContact CD2-CG1 4.31Å; C425-I446 VanDerWaalsContact SG-CD1 3.56Å; L428-I446 HydrophobicContact CD1-CD1 4.02Å; D442-I446 WeakPolarHBondContact O-CD1 3.36Å; D442-I446 WeakPolarHBondContact O-CG1 3.19Å; D442-I446 PolarHBondContact O-N 3Å; V443-I446 PolarHBondContact O-N 3.36Å; E444-I446 PolarHBondContact O-N 2.85Å; I446-F448 VanDerWaalsContact C-N 3.3Å; I446-F448 PolarHBondContact O-N 3.36Å; I446-F449 WeakPolarHBondContact O-CB 3.39Å; I446-F449 PolarHBondContact O-N 3.38Å; I446-F450 HydrophobicContact CG2-CD2 4.03Å; I446-F450 HydrophobicContact CG2-CE2 3.82Å; I446-F450 VanDerWaalsContact O-CD2 3.27Å; I446-F450 WeakPolarHBondContact O-CD2 3.12Å; I446-F450 PolarHBondContact O-N 3.44Å; I446-F468 HydrophobicContact CG2-CE2 4.3Å
447L96.3Very high89.9Confident0 Ų030.5 Ų30.50%016%0.161CC..Hα-helixtrans-61.5-41.4177.1-70.2164.1000111.4V443 E444 C445 F449 F450 Q451 F468 L473 L476 V483 A486 M487 T490V443-L447 HydrophobicContact CG1-CD1 4.11Å; V443-L447 WeakPolarHBondContact O-CD1 3.41Å; V443-L447 VanDerWaalsContact O-CG 3.28Å; V443-L447 WeakPolarHBondContact O-CG 3.41Å; V443-L447 PolarHBondContact O-N 2.96Å; E444-L447 WeakPolarHBondContact O-CB 3.36Å; E444-L447 PolarHBondContact O-N 3.45Å; C445-L447 VanDerWaalsContact C-N 3.33Å; C445-L447 PolarHBondContact O-N 2.81Å; L447-F449 PolarHBondContact O-N 2.91Å; L447-F450 PolarHBondContact O-N 3.15Å; L447-Q451 VanDerWaalsContact O-CG 3.3Å; L447-Q451 WeakPolarHBondContact O-CG 3.18Å; L447-Q451 PolarHBondContact O-N 3.43Å; L447-F468 HydrophobicContact CD2-CE1 4.45Å; L447-F468 HydrophobicContact CD2-CZ 3.78Å; L447-L473 HydrophobicContact CD2-CD1 3.48Å; L447-L473 VanDerWaalsContact CD2-CD1 3.48Å; L447-L476 HydrophobicContact CD2-CD1 4.44Å; L447-V483 HydrophobicContact CD1-CG1 4.07Å; L447-A486 HydrophobicContact CB-CB 3.88Å; L447-A486 HydrophobicContact CD1-CB 3.73Å; L447-A486 HydrophobicContact CG-CB 4.43Å; L447-M487 HydrophobicContact CD1-CG 3.59Å; L447-M487 HydrophobicContact CD2-CG 4.03Å; L447-T490 HydrophobicContact CD2-CG2 4.35Å; L447-T490 PolarHBondContact O-OG1 3.11Å
448F96.6Very high91.3Very high12 Ų1230.7 Ų30.75%0.05316%0.156CC..Hα-helixtrans-58-45.5174.2175.2-104.3000111.8A377 R399 K403 L406 E444 C445 I446 F450 Q451 S452A377-F448 HydrophobicContact CB-CD1 4.18Å; A377-F448 HydrophobicContact CB-CE1 3.83Å; R399-F448 HydrophobicContact CG-CE1 4.16Å; R399-F448 HydrophobicContact CG-CE2 3.81Å; R399-F448 HydrophobicContact CG-CZ 3.57Å; R399-F448 WeakPolarHBondContact O-CZ 3.31Å; K403-F448 HydrophobicContact CB-CZ 3.83Å; K403-F448 HydrophobicContact CG-CZ 4.22Å; L406-F448 HydrophobicContact CD1-CD1 4.18Å; L406-F448 HydrophobicContact CD1-CE1 3.83Å; E444-F448 WeakPolarHBondContact O-CB 3.18Å; E444-F448 PolarHBondContact O-N 3.01Å; C445-F448 WeakPolarHBondContact O-CB 3.39Å; C445-F448 PolarHBondContact O-N 3.16Å; I446-F448 VanDerWaalsContact C-N 3.3Å; I446-F448 PolarHBondContact O-N 3.36Å; F448-F450 VanDerWaalsContact C-N 3.34Å; F448-F450 PolarHBondContact O-N 2.94Å; F448-Q451 CarbonylContact O-C 3.58Å; F448-Q451 WeakPolarHBondContact O-CA 3.29Å; F448-Q451 WeakPolarHBondContact O-CB 3.29Å; F448-Q451 PolarHBondContact O-N 2.9Å; F448-S452 PolarHBondContact O-N 3.4Å; F448-S452 PolarHBondContact O-OG 3.16Å
449F97.3Very high92.2Very high0 Ų025 Ų250%013%0.132CC..Hα-helixtrans-56.2-45.5174.4167.9-96.7000113.1F370 M374 L406 Y410 L417 L421 C445 I446 L447 Q451 S452 I453F370-F449 HydrophobicContact CD2-CD2 4.49Å; F370-F449 HydrophobicContact CD2-CE2 4.3Å; F370-F449 AromaticContact CE2-CD2 3.7Å; F370-F449 HydrophobicContact CE2-CD2 3.7Å; F370-F449 AromaticContact CE2-CE2 3.66Å; F370-F449 HydrophobicContact CE2-CE2 3.66Å; F370-F449 HydrophobicContact CE2-CG 4.41Å; F370-F449 HydrophobicContact CE2-CZ 4.34Å; M374-F449 HydrophobicContact CE-CB 3.99Å; M374-F449 HydrophobicContact SD-CB 3.8Å; M374-F449 HydrophobicContact SD-CD2 4.39Å; M374-F449 HydrophobicContact SD-CG 4.39Å; L406-F449 HydrophobicContact CB-CD2 4.34Å; L406-F449 HydrophobicContact CD2-CD2 4.32Å; Y410-F449 AromaticContact CD2-CZ 3.97Å; Y410-F449 HydrophobicContact CD2-CZ 3.97Å; Y410-F449 HydrophobicContact CG-CZ 4.5Å; L417-F449 HydrophobicContact CB-CZ 4.07Å; L417-F449 HydrophobicContact CD1-CE2 4.37Å; L417-F449 HydrophobicContact CD1-CZ 4.45Å; L421-F449 HydrophobicContact CD1-CB 4.07Å; L421-F449 HydrophobicContact CD1-CD1 3.11Å; L421-F449 HydrophobicContact CD1-CD2 4.37Å; L421-F449 HydrophobicContact CD1-CE1 3.52Å; L421-F449 HydrophobicContact CD1-CG 3.59Å; L421-F449 HydrophobicContact CD1-CZ 4.3Å; C445-F449 PolarHBondContact O-N 2.93Å; I446-F449 WeakPolarHBondContact O-CB 3.39Å; I446-F449 PolarHBondContact O-N 3.38Å; L447-F449 PolarHBondContact O-N 2.91Å; F449-Q451 PolarHBondContact O-N 2.59Å; F449-S452 VanDerWaalsContact O-CB 3.31Å; F449-S452 WeakPolarHBondContact O-CB 3.45Å; F449-S452 PolarHBondContact O-N 3.47Å; F449-S452 VanDerWaalsContact O-N 3.09Å; F449-I453 HydrophobicContact CD2-CG2 4.41Å; F449-I453 HydrophobicContact CE1-CD1 3.89Å; F449-I453 HydrophobicContact CE2-CG2 3.88Å; F449-I453 HydrophobicContact CZ-CD1 4.14Å; F449-I453 HydrophobicContact CZ-CG2 3.96Å; F449-I453 PolarHBondContact O-N 3.33Å
450F97.2Very high92.2Very high0 Ų030.2 Ų30.20%016%0.156CC..Hα-helixtrans-66-27.4178.2-78.7-73.3000112.6L421 I446 L447 F448 I453 V465 F468 T490 L494L421-F450 HydrophobicContact CD1-CE2 4.48Å; I446-F450 HydrophobicContact CG2-CD2 4.03Å; I446-F450 HydrophobicContact CG2-CE2 3.82Å; I446-F450 VanDerWaalsContact O-CD2 3.27Å; I446-F450 WeakPolarHBondContact O-CD2 3.12Å; I446-F450 PolarHBondContact O-N 3.44Å; L447-F450 PolarHBondContact O-N 3.15Å; F448-F450 VanDerWaalsContact C-N 3.34Å; F448-F450 PolarHBondContact O-N 2.94Å; F450-I453 HydrophobicContact CD1-CD1 4.14Å; F450-V465 HydrophobicContact CD1-CG1 4.41Å; F450-V465 HydrophobicContact CD1-CG2 4.34Å; F450-V465 HydrophobicContact CE1-CG2 4.16Å; F450-F468 HydrophobicContact CB-CE1 4.17Å; F450-F468 AromaticContact CD1-CD1 3.84Å; F450-F468 HydrophobicContact CD1-CD1 3.84Å; F450-F468 HydrophobicContact CD1-CE1 4.31Å; F450-F468 HydrophobicContact CD1-CG 4.22Å; F450-F468 AromaticContact CD2-CD1 3.7Å; F450-F468 HydrophobicContact CD2-CD1 3.7Å; F450-F468 AromaticContact CD2-CD2 3.94Å; F450-F468 HydrophobicContact CD2-CD2 3.94Å; F450-F468 AromaticContact CD2-CE1 3.54Å; F450-F468 HydrophobicContact CD2-CE1 3.54Å; F450-F468 AromaticContact CD2-CE2 3.79Å; F450-F468 HydrophobicContact CD2-CE2 3.79Å; F450-F468 AromaticContact CD2-CG 3.9Å; F450-F468 HydrophobicContact CD2-CG 3.9Å; F450-F468 AromaticContact CD2-CZ 3.59Å; F450-F468 HydrophobicContact CD2-CZ 3.59Å; F450-F468 HydrophobicContact CE1-CB 3.8Å; F450-F468 AromaticContact CE1-CD1 3.9Å; F450-F468 HydrophobicContact CE1-CD1 3.9Å; F450-F468 HydrophobicContact CE1-CD2 4.5Å; F450-F468 AromaticContact CE1-CG 3.8Å; F450-F468 HydrophobicContact CE1-CG 3.8Å; F450-F468 HydrophobicContact CE2-CB 4.14Å; F450-F468 AromaticContact CE2-CD1 3.77Å; F450-F468 HydrophobicContact CE2-CD1 3.77Å; F450-F468 AromaticContact CE2-CD2 3.34Å; F450-F468 HydrophobicContact CE2-CD2 3.34Å; F450-F468 AromaticContact CE2-CE1 3.97Å; F450-F468 HydrophobicContact CE2-CE1 3.97Å; F450-F468 AromaticContact CE2-CE2 3.56Å; F450-F468 HydrophobicContact CE2-CE2 3.56Å; F450-F468 AromaticContact CE2-CG 3.45Å; F450-F468 HydrophobicContact CE2-CG 3.45Å; F450-F468 VanDerWaalsContact CE2-CG 3.45Å; F450-F468 AromaticContact CE2-CZ 3.87Å; F450-F468 HydrophobicContact CE2-CZ 3.87Å; F450-F468 AromaticContact CG-CD1 3.75Å; F450-F468 HydrophobicContact CG-CD1 3.75Å; F450-F468 AromaticContact CG-CE1 3.74Å; F450-F468 HydrophobicContact CG-CE1 3.74Å; F450-F468 HydrophobicContact CG-CG 4.28Å; F450-F468 HydrophobicContact CG-CZ 4.26Å; F450-F468 HydrophobicContact CZ-CB 3.56Å; F450-F468 AromaticContact CZ-CD1 3.87Å; F450-F468 HydrophobicContact CZ-CD1 3.87Å; F450-F468 AromaticContact CZ-CD2 3.67Å; F450-F468 HydrophobicContact CZ-CD2 3.67Å; F450-F468 HydrophobicContact CZ-CE2 4.34Å; F450-F468 AromaticContact CZ-CG 3.4Å; F450-F468 HydrophobicContact CZ-CG 3.4Å; F450-F468 VanDerWaalsContact CZ-CG 3.4Å; F450-T490 HydrophobicContact CB-CG2 3.95Å; F450-L494 HydrophobicContact CB-CD1 4.25Å
451Q96.5Very high91.8Very high27 Ų2737.6 Ų37.613%0.12619%0.189CC..Hα-helixtrans-71.3-40170.1-63160.32300111.3L447 F448 F449 I453 A454 A486 T490L447-Q451 VanDerWaalsContact O-CG 3.3Å; L447-Q451 WeakPolarHBondContact O-CG 3.18Å; L447-Q451 PolarHBondContact O-N 3.43Å; F448-Q451 CarbonylContact O-C 3.58Å; F448-Q451 WeakPolarHBondContact O-CA 3.29Å; F448-Q451 WeakPolarHBondContact O-CB 3.29Å; F448-Q451 PolarHBondContact O-N 2.9Å; F449-Q451 PolarHBondContact O-N 2.59Å; Q451-I453 VanDerWaalsContact C-N 3.3Å; Q451-I453 PolarHBondContact O-N 2.84Å; Q451-A454 WeakPolarHBondContact O-CB 3.36Å; Q451-A454 PolarHBondContact O-N 3.5Å; Q451-A486 PolarHBondContact NE2-O 3.48Å; Q451-T490 WeakPolarHBondContact CG-OG1 3.49Å; Q451-T490 PolarHBondContact NE2-OG1 2.87Å
452S95.8Very high91.5Very high4 Ų436.1 Ų36.13%0.02818%0.182CC..Hα-helixtrans-56.9-43.7179.7-48.20000112.4K403 T407 F448 F449 A454K403-S452 VanDerWaalsContact CG-CB 3.43Å; K403-S452 WeakPolarHBondContact CG-OG 3.32Å; T407-S452 PolarHBondContact OG1-O 3.41Å; F448-S452 PolarHBondContact O-N 3.4Å; F448-S452 PolarHBondContact O-OG 3.16Å; F449-S452 VanDerWaalsContact O-CB 3.31Å; F449-S452 WeakPolarHBondContact O-CB 3.45Å; F449-S452 PolarHBondContact O-N 3.47Å; F449-S452 VanDerWaalsContact O-N 3.09Å; S452-A454 VanDerWaalsContact C-N 3.33Å; S452-A454 PolarHBondContact O-N 2.96Å
453I95.6Very high91.6Very high0 Ų041.7 Ų41.70%021%0.205CC..THydrogen-bonded Turntrans-84.8-5.9-17465.7172.8000113.5Y410 F449 F450 Q451 D455 I456 V457 V465Y410-I453 HydrophobicContact CD1-CB 4.07Å; Y410-I453 HydrophobicContact CD1-CG2 3.98Å; Y410-I453 HydrophobicContact CD2-CD1 4.04Å; Y410-I453 HydrophobicContact CD2-CG2 4.24Å; Y410-I453 HydrophobicContact CE1-CB 4.46Å; Y410-I453 HydrophobicContact CE1-CD1 4.4Å; Y410-I453 HydrophobicContact CE2-CD1 3.91Å; Y410-I453 HydrophobicContact CG-CB 4.2Å; Y410-I453 HydrophobicContact CG-CD1 4.33Å; Y410-I453 HydrophobicContact CG-CG2 3.65Å; F449-I453 HydrophobicContact CD2-CG2 4.41Å; F449-I453 HydrophobicContact CE1-CD1 3.89Å; F449-I453 HydrophobicContact CE2-CG2 3.88Å; F449-I453 HydrophobicContact CZ-CD1 4.14Å; F449-I453 HydrophobicContact CZ-CG2 3.96Å; F449-I453 PolarHBondContact O-N 3.33Å; F450-I453 HydrophobicContact CD1-CD1 4.14Å; Q451-I453 VanDerWaalsContact C-N 3.3Å; Q451-I453 PolarHBondContact O-N 2.84Å; I453-D455 VanDerWaalsContact C-N 3.29Å; I453-D455 PolarHBondContact O-N 2.87Å; I453-D455 VanDerWaalsContact O-N 3.15Å; I453-I456 HydrophobicContact CB-CD1 4.41Å; I453-I456 HydrophobicContact CB-CG1 4.21Å; I453-I456 WeakPolarHBondContact O-CG1 3.38Å; I453-I456 PolarHBondContact O-N 3.17Å; I453-V457 HydrophobicContact CB-CG2 4.27Å; I453-V457 HydrophobicContact CD1-CG2 3.92Å; I453-V457 HydrophobicContact CG1-CG2 3.86Å; I453-V457 VanDerWaalsContact O-CG2 3.31Å; I453-V457 WeakPolarHBondContact O-CG2 3.46Å; I453-V457 PolarHBondContact O-N 3.48Å; I453-V465 HydrophobicContact CD1-CG2 3.92Å
454A94.3Very high91.7Very high7 Ų741.5 Ų41.56%0.05820%0.204CC..G310 helixtrans-55.2-40.6-165.200000114.2Q451 S452 I456 S493 L494Q451-A454 WeakPolarHBondContact O-CB 3.36Å; Q451-A454 PolarHBondContact O-N 3.5Å; S452-A454 VanDerWaalsContact C-N 3.33Å; S452-A454 PolarHBondContact O-N 2.96Å; A454-I456 VanDerWaalsContact C-N 3.28Å; A454-I456 PolarHBondContact O-N 3.36Å; A454-S493 WeakPolarHBondContact CB-O 3.49Å; A454-L494 HydrophobicContact CB-CD2 3.84Å; A454-L494 HydrophobicContact CB-CG 4.39Å
455D91.8Very high91.8Very high151 Ų15141 Ų4181%0.80720%0.202SC*.G310 helixtrans-74-16.9-177.3-65-31.7000113.7I453I453-D455 VanDerWaalsContact C-N 3.29Å; I453-D455 PolarHBondContact O-N 2.87Å; I453-D455 VanDerWaalsContact O-N 3.15Å
456I92Very high91.8Very high58 Ų5841.5 Ų41.530%0.29720%0.204SC..G310 helixtrans-109.2-8-176.561159.5000113.6T407 Y410 M411 I453 A454 N458T407-I456 HydrophobicContact CG2-CD1 3.36Å; T407-I456 HydrophobicContact CG2-CG1 3.94Å; T407-I456 HydrophobicContact CG2-CG2 4.06Å; Y410-I456 HydrophobicContact CD1-CD1 3.57Å; Y410-I456 HydrophobicContact CD1-CG1 4.25Å; Y410-I456 HydrophobicContact CE1-CD1 4.28Å; M411-I456 HydrophobicContact CG-CD1 3.46Å; M411-I456 VanDerWaalsContact CG-CD1 3.46Å; M411-I456 HydrophobicContact SD-CB 4Å; M411-I456 HydrophobicContact SD-CD1 3.49Å; M411-I456 WeakPolarHBondContact SD-CD1 3.42Å; M411-I456 HydrophobicContact SD-CG1 4.31Å; M411-I456 HydrophobicContact SD-CG2 4.44Å; I453-I456 HydrophobicContact CB-CD1 4.41Å; I453-I456 HydrophobicContact CB-CG1 4.21Å; I453-I456 WeakPolarHBondContact O-CG1 3.38Å; I453-I456 PolarHBondContact O-N 3.17Å; A454-I456 VanDerWaalsContact C-N 3.28Å; A454-I456 PolarHBondContact O-N 3.36Å; I456-N458 PolarHBondContact O-N 3.49Å; I456-N458 VanDerWaalsContact O-N 3.16Å
457V91.4Very high91.8Very high15 Ų1543.9 Ų43.99%0.09122%0.219CC..  trans-66.7115178178.30000109.9Y410 I453 C459 A462 V465 V497Y410-V457 HydrophobicContact CE1-CG2 4.42Å; I453-V457 HydrophobicContact CB-CG2 4.27Å; I453-V457 HydrophobicContact CD1-CG2 3.92Å; I453-V457 HydrophobicContact CG1-CG2 3.86Å; I453-V457 VanDerWaalsContact O-CG2 3.31Å; I453-V457 WeakPolarHBondContact O-CG2 3.46Å; I453-V457 PolarHBondContact O-N 3.48Å; V457-C459 PolarHBondContact O-N 3.04Å; V457-A462 HydrophobicContact CG1-CB 3.44Å; V457-A462 VanDerWaalsContact CG1-CB 3.44Å; V457-V465 HydrophobicContact CG1-CB 4.48Å; V457-V465 HydrophobicContact CG1-CG2 4.21Å; V457-V465 HydrophobicContact CG2-CG2 4.03Å; V457-V497 HydrophobicContact CG1-CG2 4.06Å
458N86.6Confident91.8Very high80 Ų8043.9 Ų43.943%0.42822%0.219SC..  trans-79117.4167.3-179.2-14.6000109.7I456 E460 K461 A462I456-N458 PolarHBondContact O-N 3.49Å; I456-N458 VanDerWaalsContact O-N 3.16Å; N458-E460 PolarHBondContact O-N 3.04Å; N458-E460 VanDerWaalsContact O-N 3.1Å; N458-E460 PolarHBondContact OD1-N 3.04Å; N458-K461 CarbonylContact O-C 3.59Å; N458-K461 PolarHBondContact O-N 3.33Å; N458-A462 WeakPolarHBondContact O-CB 3.19Å; N458-A462 PolarHBondContact O-N 3.21Å
459C82.7Confident91.7Very high26 Ų2643.3 Ų43.318%0.17622%0.216CC..G310 helixtrans-48-40.3179.1-70.20000112.8V457 K461 A462 H500 Y501V457-C459 PolarHBondContact O-N 3.04Å; C459-K461 PolarHBondContact O-N 2.96Å; C459-A462 PolarHBondContact O-N 3.48Å; C459-H500 HydrophobicContact CB-CB 4.37Å; C459-Y501 PolarHBondContact O-OH 2.92Å
460E79.2Confident91.6Very high155 Ų15545.8 Ų45.872%0.72423%0.228SC*.G310 helixtrans-67.8-22.1-177.9-61.1-178.2165.800114N458N458-E460 PolarHBondContact O-N 3.04Å; N458-E460 VanDerWaalsContact O-N 3.1Å; N458-E460 PolarHBondContact OD1-N 3.04Å
461K79.9Confident91.4Very high164 Ų16450.8 Ų50.871%0.71325%0.251SS*.G310 helixtrans-120.616.5-175.2-64.3-178.8-176.7172.20112.8N458 C459 K463N458-K461 CarbonylContact O-C 3.59Å; N458-K461 PolarHBondContact O-N 3.33Å; C459-K461 PolarHBondContact O-N 2.96Å; K461-K463 VanDerWaalsContact C-N 3.3Å; K461-K463 PolarHBondContact O-N 2.8Å; K461-K463 VanDerWaalsContact O-N 3.16Å
462A85.2Confident91.2Very high0 Ų050 Ų500%025%0.248CC..  trans-85.831.5-171.500000114.7V457 N458 C459 G464 V465 V466V457-A462 HydrophobicContact CG1-CB 3.44Å; V457-A462 VanDerWaalsContact CG1-CB 3.44Å; N458-A462 WeakPolarHBondContact O-CB 3.19Å; N458-A462 PolarHBondContact O-N 3.21Å; C459-A462 PolarHBondContact O-N 3.48Å; A462-G464 PolarHBondContact O-N 3.49Å; A462-V465 HydrophobicContact CB-CB 4.29Å; A462-V465 PolarHBondContact O-N 3.43Å; A462-V465 VanDerWaalsContact O-N 3.09Å; A462-V466 HydrophobicContact CB-CG2 4.1Å; A462-V466 VanDerWaalsContact O-CG2 3.27Å; A462-V466 WeakPolarHBondContact O-CG2 3.49Å; A462-V466 PolarHBondContact O-N 3.49Å
463K91.3Very high91.2Very high154 Ų15449.8 Ų49.867%0.6725%0.247SC*.Hα-helixtrans-53.3-48.4-167.9-172.5-176.7176.9-173.20113.8K461 T467K461-K463 VanDerWaalsContact C-N 3.3Å; K461-K463 PolarHBondContact O-N 2.8Å; K461-K463 VanDerWaalsContact O-N 3.16Å; K463-T467 WeakPolarHBondContact O-CB 3.42Å; K463-T467 PolarHBondContact O-N 2.73Å; K463-T467 PolarHBondContact O-OG1 3.13Å
464G93.5Very high91Very high2 Ų251.2 Ų51.22%0.02126%0.256CS..Hα-helixtrans-68.3-38.2179.200000113D415 A462 T467 F468D415-G464 WeakPolarHBondContact OD1-CA 3.09Å; D415-G464 PolarHBondContact OD1-N 2.87Å; A462-G464 PolarHBondContact O-N 3.49Å; G464-T467 PolarHBondContact O-N 2.67Å; G464-F468 WeakPolarHBondContact O-CB 3.49Å; G464-F468 PolarHBondContact O-N 3.01Å
465V94.9Very high90.9Very high0 Ų053.5 Ų53.50%028%0.275CS..Hα-helixtrans-66-43.4175.7-1780000110.8F450 I453 V457 A462 F468 L469 L494F450-V465 HydrophobicContact CD1-CG1 4.41Å; F450-V465 HydrophobicContact CD1-CG2 4.34Å; F450-V465 HydrophobicContact CE1-CG2 4.16Å; I453-V465 HydrophobicContact CD1-CG2 3.92Å; V457-V465 HydrophobicContact CG1-CB 4.48Å; V457-V465 HydrophobicContact CG1-CG2 4.21Å; V457-V465 HydrophobicContact CG2-CG2 4.03Å; A462-V465 HydrophobicContact CB-CB 4.29Å; A462-V465 PolarHBondContact O-N 3.43Å; A462-V465 VanDerWaalsContact O-N 3.09Å; V465-F468 WeakPolarHBondContact O-CB 3.27Å; V465-F468 PolarHBondContact O-N 3.45Å; V465-L469 HydrophobicContact CG1-CD1 4.18Å; V465-L469 WeakPolarHBondContact O-CG 3.17Å; V465-L469 PolarHBondContact O-N 2.99Å; V465-L494 HydrophobicContact CG1-CD1 3.95Å; V465-L494 HydrophobicContact CG1-CD2 4.09Å
466V94.8Very high90.8Very high14 Ų1446.6 Ų46.69%0.08524%0.238CC..Hα-helixtrans-62.6-45.4174.6174.70000110.3A462 F468 L469 Q470 V497 Y501A462-V466 HydrophobicContact CB-CG2 4.1Å; A462-V466 VanDerWaalsContact O-CG2 3.27Å; A462-V466 WeakPolarHBondContact O-CG2 3.49Å; A462-V466 PolarHBondContact O-N 3.49Å; V466-F468 VanDerWaalsContact C-N 3.29Å; V466-F468 PolarHBondContact O-N 2.86Å; V466-L469 PolarHBondContact O-N 3.45Å; V466-Q470 WeakPolarHBondContact O-CB 3.5Å; V466-Q470 PolarHBondContact O-N 3.14Å; V466-V497 HydrophobicContact CG2-CG1 4.05Å; V466-Y501 HydrophobicContact CG1-CD1 4.33Å; V466-Y501 HydrophobicContact CG1-CG 4.32Å; V466-Y501 HydrophobicContact CG2-CD1 4.42Å; V466-Y501 HydrophobicContact CG2-CD2 3.49Å; V466-Y501 VanDerWaalsContact CG2-CD2 3.49Å; V466-Y501 HydrophobicContact CG2-CE1 4.27Å; V466-Y501 HydrophobicContact CG2-CE2 3.28Å; V466-Y501 HydrophobicContact CG2-CG 4.06Å
467T94.8Very high90.5Very high52 Ų5245.9 Ų45.932%0.31924%0.237SC..Hα-helixtrans-59.2-43.1176.6-57.10000111L422 K463 G464 Q470 H471L422-T467 HydrophobicContact CD1-CG2 3.99Å; K463-T467 WeakPolarHBondContact O-CB 3.42Å; K463-T467 PolarHBondContact O-N 2.73Å; K463-T467 PolarHBondContact O-OG1 3.13Å; G464-T467 PolarHBondContact O-N 2.67Å; T467-Q470 PolarHBondContact O-N 3.22Å; T467-H471 WeakPolarHBondContact O-CB 3.5Å; T467-H471 PolarHBondContact O-N 3.3Å
468F95.9Very high90.3Very high0 Ų048.4 Ų48.40%025%0.245CC..Iπ-helixtrans-59.6-56.1175.5173.2-103.2000111.8L422 I446 L447 F450 G464 V465 V466 Q470 T472 L473 L476 T490L422-F468 HydrophobicContact CD2-CB 3.94Å; L422-F468 HydrophobicContact CD2-CD2 4.23Å; I446-F468 HydrophobicContact CG2-CE2 4.3Å; L447-F468 HydrophobicContact CD2-CE1 4.45Å; L447-F468 HydrophobicContact CD2-CZ 3.78Å; F450-F468 HydrophobicContact CB-CE1 4.17Å; F450-F468 AromaticContact CD1-CD1 3.84Å; F450-F468 HydrophobicContact CD1-CD1 3.84Å; F450-F468 HydrophobicContact CD1-CE1 4.31Å; F450-F468 HydrophobicContact CD1-CG 4.22Å; F450-F468 AromaticContact CD2-CD1 3.7Å; F450-F468 HydrophobicContact CD2-CD1 3.7Å; F450-F468 AromaticContact CD2-CD2 3.94Å; F450-F468 HydrophobicContact CD2-CD2 3.94Å; F450-F468 AromaticContact CD2-CE1 3.54Å; F450-F468 HydrophobicContact CD2-CE1 3.54Å; F450-F468 AromaticContact CD2-CE2 3.79Å; F450-F468 HydrophobicContact CD2-CE2 3.79Å; F450-F468 AromaticContact CD2-CG 3.9Å; F450-F468 HydrophobicContact CD2-CG 3.9Å; F450-F468 AromaticContact CD2-CZ 3.59Å; F450-F468 HydrophobicContact CD2-CZ 3.59Å; F450-F468 HydrophobicContact CE1-CB 3.8Å; F450-F468 AromaticContact CE1-CD1 3.9Å; F450-F468 HydrophobicContact CE1-CD1 3.9Å; F450-F468 HydrophobicContact CE1-CD2 4.5Å; F450-F468 AromaticContact CE1-CG 3.8Å; F450-F468 HydrophobicContact CE1-CG 3.8Å; F450-F468 HydrophobicContact CE2-CB 4.14Å; F450-F468 AromaticContact CE2-CD1 3.77Å; F450-F468 HydrophobicContact CE2-CD1 3.77Å; F450-F468 AromaticContact CE2-CD2 3.34Å; F450-F468 HydrophobicContact CE2-CD2 3.34Å; F450-F468 AromaticContact CE2-CE1 3.97Å; F450-F468 HydrophobicContact CE2-CE1 3.97Å; F450-F468 AromaticContact CE2-CE2 3.56Å; F450-F468 HydrophobicContact CE2-CE2 3.56Å; F450-F468 AromaticContact CE2-CG 3.45Å; F450-F468 HydrophobicContact CE2-CG 3.45Å; F450-F468 VanDerWaalsContact CE2-CG 3.45Å; F450-F468 AromaticContact CE2-CZ 3.87Å; F450-F468 HydrophobicContact CE2-CZ 3.87Å; F450-F468 AromaticContact CG-CD1 3.75Å; F450-F468 HydrophobicContact CG-CD1 3.75Å; F450-F468 AromaticContact CG-CE1 3.74Å; F450-F468 HydrophobicContact CG-CE1 3.74Å; F450-F468 HydrophobicContact CG-CG 4.28Å; F450-F468 HydrophobicContact CG-CZ 4.26Å; F450-F468 HydrophobicContact CZ-CB 3.56Å; F450-F468 AromaticContact CZ-CD1 3.87Å; F450-F468 HydrophobicContact CZ-CD1 3.87Å; F450-F468 AromaticContact CZ-CD2 3.67Å; F450-F468 HydrophobicContact CZ-CD2 3.67Å; F450-F468 HydrophobicContact CZ-CE2 4.34Å; F450-F468 AromaticContact CZ-CG 3.4Å; F450-F468 HydrophobicContact CZ-CG 3.4Å; F450-F468 VanDerWaalsContact CZ-CG 3.4Å; G464-F468 WeakPolarHBondContact O-CB 3.49Å; G464-F468 PolarHBondContact O-N 3.01Å; V465-F468 WeakPolarHBondContact O-CB 3.27Å; V465-F468 PolarHBondContact O-N 3.45Å; V466-F468 VanDerWaalsContact C-N 3.29Å; V466-F468 PolarHBondContact O-N 2.86Å; F468-Q470 VanDerWaalsContact C-N 3.28Å; F468-Q470 PolarHBondContact O-N 3.22Å; F468-T472 HydrophobicContact CD2-CG2 3.84Å; F468-T472 HydrophobicContact CE2-CG2 4.03Å; F468-T472 PolarHBondContact O-N 3.29Å; F468-L473 HydrophobicContact CD1-CB 4.44Å; F468-L473 HydrophobicContact CE1-CB 4.01Å; F468-L473 HydrophobicContact CE1-CD1 4.2Å; F468-L473 HydrophobicContact CE1-CD2 4.3Å; F468-L473 HydrophobicContact CE1-CG 4.41Å; F468-L473 HydrophobicContact CE2-CB 4.44Å; F468-L473 HydrophobicContact CZ-CB 4.01Å; F468-L473 HydrophobicContact CZ-CD1 3.92Å; F468-L473 HydrophobicContact CZ-CG 4.46Å; F468-L473 WeakPolarHBondContact O-CB 3.47Å; F468-L473 PolarHBondContact O-N 3.2Å; F468-L476 HydrophobicContact CE2-CD1 4.32Å; F468-T490 HydrophobicContact CE1-CG2 4.02Å
469L95.9Very high90.1Very high0 Ų049.4 Ų49.40%026%0.258CS..Iπ-helixtrans-60.3-38.1179.7-70.9172000112.4V465 V466 L473 P474 L494 V497 I498 L503 L507V465-L469 HydrophobicContact CG1-CD1 4.18Å; V465-L469 WeakPolarHBondContact O-CG 3.17Å; V465-L469 PolarHBondContact O-N 2.99Å; V466-L469 PolarHBondContact O-N 3.45Å; L469-L473 HydrophobicContact CD2-CD2 3.74Å; L469-P474 WeakPolarHBondContact O-CD 3.17Å; L469-L494 HydrophobicContact CD1-CB 4.2Å; L469-L494 HydrophobicContact CD1-CD1 4.19Å; L469-L494 HydrophobicContact CD2-CB 4.42Å; L469-L494 HydrophobicContact CD2-CD1 3.91Å; L469-L494 HydrophobicContact CG-CD1 4.23Å; L469-V497 HydrophobicContact CD1-CB 4.23Å; L469-V497 HydrophobicContact CD1-CG1 3.88Å; L469-I498 HydrophobicContact CD1-CG1 3.98Å; L469-I498 HydrophobicContact CD2-CD1 4.46Å; L469-I498 HydrophobicContact CD2-CG1 4.42Å; L469-L503 HydrophobicContact CB-CD1 3.72Å; L469-L503 HydrophobicContact CD1-CD1 4.28Å; L469-L507 HydrophobicContact CD2-CD1 4.46Å
470Q94.6Very high90.4Very high53 Ų5349.8 Ų49.825%0.24826%0.259CS..Iπ-helixtrans-80.5-33.2-171.8-177.9174.3-33.700113.6V466 T467 F468 L503 R506V466-Q470 WeakPolarHBondContact O-CB 3.5Å; V466-Q470 PolarHBondContact O-N 3.14Å; T467-Q470 PolarHBondContact O-N 3.22Å; F468-Q470 VanDerWaalsContact C-N 3.28Å; F468-Q470 PolarHBondContact O-N 3.22Å; Q470-L503 HydrophobicContact CB-CD1 4.48Å; Q470-L503 HydrophobicContact CB-CD2 4.2Å; Q470-L503 HydrophobicContact CG-CD2 4.22Å; Q470-R506 WeakPolarHBondContact O-CD 3.24Å; Q470-R506 PolarHBondContact O-NH1 3.28Å
471H92.5Very high91Very high104 Ų10444.4 Ų44.448%0.48124%0.236SC..Iπ-helixtrans-127.4-42.3-169.4-64.9-70.5000113.8T467T467-H471 WeakPolarHBondContact O-CB 3.5Å; T467-H471 PolarHBondContact O-N 3.3Å
472T92.7Very high91.5Very high11 Ų1141.3 Ų41.37%0.06722%0.221CC..Iπ-helixtrans-83.5-52.4-172.9-55.40000111.4L422 C425 F468 A475 L476L422-T472 HydrophobicContact CD2-CG2 4.28Å; L422-T472 WeakPolarHBondContact CD2-OG1 3.46Å; C425-T472 HydrophobicContact CB-CG2 3.53Å; F468-T472 HydrophobicContact CD2-CG2 3.84Å; F468-T472 HydrophobicContact CE2-CG2 4.03Å; F468-T472 PolarHBondContact O-N 3.29Å; T472-A475 WeakPolarHBondContact O-CB 3.44Å; T472-A475 PolarHBondContact O-N 3.05Å; T472-L476 WeakPolarHBondContact O-CG 3.44Å; T472-L476 PolarHBondContact O-N 3.47Å
473L94.9Very high91.9Very high0 Ų041.4 Ų41.40%022%0.221CC..G310 helixtrans-54.7-45.2-177-178.964.7000112.8L447 F468 L469 A475 L476 M487 I491 L507 I510L447-L473 HydrophobicContact CD2-CD1 3.48Å; L447-L473 VanDerWaalsContact CD2-CD1 3.48Å; F468-L473 HydrophobicContact CD1-CB 4.44Å; F468-L473 HydrophobicContact CE1-CB 4.01Å; F468-L473 HydrophobicContact CE1-CD1 4.2Å; F468-L473 HydrophobicContact CE1-CD2 4.3Å; F468-L473 HydrophobicContact CE1-CG 4.41Å; F468-L473 HydrophobicContact CE2-CB 4.44Å; F468-L473 HydrophobicContact CZ-CB 4.01Å; F468-L473 HydrophobicContact CZ-CD1 3.92Å; F468-L473 HydrophobicContact CZ-CG 4.46Å; F468-L473 WeakPolarHBondContact O-CB 3.47Å; F468-L473 PolarHBondContact O-N 3.2Å; L469-L473 HydrophobicContact CD2-CD2 3.74Å; L473-A475 VanDerWaalsContact C-N 3.26Å; L473-A475 PolarHBondContact O-N 2.97Å; L473-L476 HydrophobicContact CD1-CD1 4.28Å; L473-L476 PolarHBondContact O-N 3.34Å; L473-M487 HydrophobicContact CD1-CB 4.24Å; L473-M487 HydrophobicContact CD1-CE 3.92Å; L473-M487 HydrophobicContact CD1-CG 3.87Å; L473-M487 HydrophobicContact CG-CE 4.43Å; L473-M487 VanDerWaalsContact O-CE 3.25Å; L473-M487 WeakPolarHBondContact O-CE 3.26Å; L473-I491 HydrophobicContact CD2-CG1 4.08Å; L473-L507 HydrophobicContact CD2-CD2 3.73Å; L473-L507 HydrophobicContact CG-CD2 4.2Å; L473-I510 HydrophobicContact CD2-CD1 4.34Å; L473-I510 HydrophobicContact CG-CD1 3.88Å
474P93.1Very high92.1Very high30 Ų3034.6 Ų34.620%0.19519%0.192CC..G310 helixtrans-66-25.2176.8-2134000114.5L469 R478 R506 L507L469-P474 WeakPolarHBondContact O-CD 3.17Å; P474-R478 PolarHBondContact O-NH2 3.16Å; P474-R506 HydrophobicContact CG-CB 4.44Å; P474-L507 HydrophobicContact CG-CD2 4.16Å
475A90.7Very high92.2Very high55 Ų5535.9 Ų35.946%0.45520%0.198SC..G310 helixtrans-87.6-13.7-177.100000113.6L429 T472 L473L429-A475 HydrophobicContact CD1-CB 4.14Å; L429-A475 VanDerWaalsContact CD2-O 3.3Å; L429-A475 WeakPolarHBondContact CD2-O 3.21Å; T472-A475 WeakPolarHBondContact O-CB 3.44Å; T472-A475 PolarHBondContact O-N 3.05Å; L473-A475 VanDerWaalsContact C-N 3.26Å; L473-A475 PolarHBondContact O-N 2.97Å
476L89.5Confident92.2Very high5 Ų535.9 Ų35.93%0.02620%0.199CC..SBendtrans-66.2147.3178.4-69.6173.1000111.7L429 V443 L447 F468 T472 L473 R478 M487L429-L476 HydrophobicContact CD2-CD2 4.46Å; V443-L476 HydrophobicContact CG1-CB 4.39Å; V443-L476 HydrophobicContact CG1-CD1 3.86Å; V443-L476 HydrophobicContact CG1-CD2 4.01Å; V443-L476 HydrophobicContact CG1-CG 4.3Å; V443-L476 HydrophobicContact CG2-CD2 4.45Å; L447-L476 HydrophobicContact CD2-CD1 4.44Å; F468-L476 HydrophobicContact CE2-CD1 4.32Å; T472-L476 WeakPolarHBondContact O-CG 3.44Å; T472-L476 PolarHBondContact O-N 3.47Å; L473-L476 HydrophobicContact CD1-CD1 4.28Å; L473-L476 PolarHBondContact O-N 3.34Å; L476-R478 WeakPolarHBondContact O-CG 3.1Å; L476-M487 HydrophobicContact CB-CE 4.42Å
477P86.1Confident92.3Very high44 Ų4435.2 Ų35.229%0.28620%0.195SC..  trans-66.1137178.427.5-34.1000111.5A436 V483A436-P477 HydrophobicContact CB-CB 3.83Å; A436-P477 HydrophobicContact CB-CG 4.02Å; P477-V483 WeakPolarHBondContact O-CG1 3.47Å
478R87Confident92.4Very high68 Ų6832.8 Ų32.826%0.25718%0.179SC..  trans-111.64.6-172.5-52.5177.9-164.2168.42.6114.2P474 L476 M487 D513P474-R478 PolarHBondContact O-NH2 3.16Å; L476-R478 WeakPolarHBondContact O-CG 3.1Å; R478-M487 HydrophobicContact CG-CE 4.08Å; R478-M487 HydrophobicContact CG-SD 4.18Å; R478-D513 WeakPolarHBondContact CD-OD2 3.34Å; R478-D513 IonicContact CZ-OD2 3.81Å; R478-D513 IonicContact NE-OD2 2.83Å; R478-D513 IonicContact NH1-OD2 3.8Å; R478-D513 PolarHBondContact NH1-OD2 3.38Å
479S82.3Confident92.5Very high100 Ų10035.8 Ų35.870%0.69919%0.194SC*.  trans-73.3-26.2-174.352.30000113.7
480N89Confident92.6Very high35 Ų3535.8 Ų35.819%0.18719%0.194CC..SBendtrans-88.9129.7179.1-173.4-61.2000110.6W440 Y482 V483 L484W440-N480 HydrophobicContact CB-CB 4Å; W440-N480 HydrophobicContact CG-CB 4.49Å; N480-Y482 VanDerWaalsContact C-N 3.35Å; N480-Y482 PolarHBondContact O-N 3.32Å; N480-Y482 WeakPolarHBondContact OD1-CB 3.31Å; N480-Y482 WeakPolarHBondContact OD1-CD2 3.34Å; N480-Y482 PolarHBondContact OD1-N 2.91Å; N480-V483 HydrophobicContact CB-CB 4.27Å; N480-V483 HydrophobicContact CB-CG2 4.09Å; N480-V483 PolarHBondContact O-N 3.46Å; N480-V483 PolarHBondContact OD1-N 3.15Å; N480-L484 PolarHBondContact O-N 3.45Å
481V91.7Very high92.7Very high41 Ų4133.2 Ų33.225%0.24818%0.182CC..Hα-helixtrans-61.8-38.3-177.6169.30000112.5L484 N485 Q519 T520V481-L484 PolarHBondContact O-N 3.41Å; V481-N485 WeakPolarHBondContact O-CB 3.32Å; V481-N485 PolarHBondContact O-N 3.42Å; V481-N485 PolarHBondContact O-ND2 3.48Å; V481-Q519 HydrophobicContact CG1-CB 3.85Å; V481-T520 HydrophobicContact CB-CG2 4.39Å; V481-T520 HydrophobicContact CG1-CG2 3.78Å
482Y91.6Very high92.8Very high100 Ų10032.4 Ų32.439%0.39218%0.177SC..Hα-helixtrans-67.1-43178.4-61.2-73.6000111.5L379 L384 W440 N480 N485 A486L379-Y482 HydrophobicContact CD2-CD1 4.27Å; L384-Y482 HydrophobicContact CD1-CD1 4.29Å; L384-Y482 HydrophobicContact CD1-CD2 4.08Å; L384-Y482 HydrophobicContact CD1-CE1 3.79Å; L384-Y482 HydrophobicContact CD1-CE2 3.57Å; L384-Y482 HydrophobicContact CD1-CG 4.42Å; L384-Y482 VanDerWaalsContact CD1-CZ 3.4Å; L384-Y482 HydrophobicContact CD2-CD1 4.3Å; L384-Y482 HydrophobicContact CD2-CE1 3.59Å; L384-Y482 HydrophobicContact CG-CE1 4.35Å; W440-Y482 HydrophobicContact CE3-CD2 4.25Å; W440-Y482 HydrophobicContact CE3-CG 4.39Å; W440-Y482 HydrophobicContact CH2-CD2 4.07Å; W440-Y482 HydrophobicContact CH2-CG 4.4Å; W440-Y482 AromaticContact CZ3-CD2 3.89Å; W440-Y482 HydrophobicContact CZ3-CD2 3.89Å; W440-Y482 AromaticContact CZ3-CG 3.9Å; W440-Y482 HydrophobicContact CZ3-CG 3.9Å; N480-Y482 VanDerWaalsContact C-N 3.35Å; N480-Y482 PolarHBondContact O-N 3.32Å; N480-Y482 WeakPolarHBondContact OD1-CB 3.31Å; N480-Y482 WeakPolarHBondContact OD1-CD2 3.34Å; N480-Y482 PolarHBondContact OD1-N 2.91Å; Y482-N485 PolarHBondContact O-N 3.25Å; Y482-A486 WeakPolarHBondContact O-CB 3.49Å; Y482-A486 PolarHBondContact O-N 2.88Å
483V93.2Very high93Very high2 Ų234.2 Ų34.21%0.01219%0.19CC..Hα-helixtrans-62.3-48.1175.2174.90000110W440 V443 L447 P477 N480 N485 A486 M487W440-V483 HydrophobicContact CB-CG2 3.71Å; W440-V483 WeakPolarHBondContact O-CG2 3.32Å; V443-V483 HydrophobicContact CB-CG2 4.26Å; V443-V483 HydrophobicContact CG1-CG1 3.7Å; V443-V483 HydrophobicContact CG1-CG2 4.32Å; L447-V483 HydrophobicContact CD1-CG1 4.07Å; P477-V483 WeakPolarHBondContact O-CG1 3.47Å; N480-V483 HydrophobicContact CB-CB 4.27Å; N480-V483 HydrophobicContact CB-CG2 4.09Å; N480-V483 PolarHBondContact O-N 3.46Å; N480-V483 PolarHBondContact OD1-N 3.15Å; V483-N485 VanDerWaalsContact C-N 3.33Å; V483-N485 PolarHBondContact O-N 2.71Å; V483-A486 CarbonylContact O-C 3.56Å; V483-A486 PolarHBondContact O-N 3.19Å; V483-A486 VanDerWaalsContact O-N 3.16Å; V483-M487 HydrophobicContact CG1-CG 4.18Å; V483-M487 HydrophobicContact CG1-SD 3.86Å; V483-M487 WeakPolarHBondContact O-CG 3.32Å; V483-M487 PolarHBondContact O-N 3.15Å
484L95.1Very high93Very high10 Ų1034.2 Ų34.25%0.05219%0.19CC..Hα-helixtrans-64-37.7-179.2-173.454.8000112.7N480 V481 M487 C488 I510 D513 T520N480-L484 PolarHBondContact O-N 3.45Å; V481-L484 PolarHBondContact O-N 3.41Å; L484-M487 PolarHBondContact O-N 3.2Å; L484-C488 PolarHBondContact O-N 3.33Å; L484-C488 PolarHBondContact O-SG 2.71Å; L484-I510 HydrophobicContact CD1-CG2 4.07Å; L484-D513 HydrophobicContact CD1-CB 4.1Å; L484-D513 HydrophobicContact CD2-CB 4.16Å; L484-T520 HydrophobicContact CB-CG2 4.21Å; L484-T520 HydrophobicContact CD2-CG2 4.09Å; L484-T520 HydrophobicContact CG-CG2 4.17Å
485N95.6Very high93Very high29 Ų2933.3 Ų33.316%0.15518%0.184CC..Hα-helixtrans-61-48171-87.8-32000111.9V481 Y482 V483 M487 C488 Q489 Q519 T520 K523V481-N485 WeakPolarHBondContact O-CB 3.32Å; V481-N485 PolarHBondContact O-N 3.42Å; V481-N485 PolarHBondContact O-ND2 3.48Å; Y482-N485 PolarHBondContact O-N 3.25Å; V483-N485 VanDerWaalsContact C-N 3.33Å; V483-N485 PolarHBondContact O-N 2.71Å; N485-M487 VanDerWaalsContact C-N 3.33Å; N485-M487 PolarHBondContact O-N 3.17Å; N485-C488 PolarHBondContact O-N 3.09Å; N485-Q489 WeakPolarHBondContact O-CG 3.41Å; N485-Q489 PolarHBondContact O-N 3.2Å; N485-Q519 PolarHBondContact ND2-O 3.46Å; N485-T520 VanDerWaalsContact OD1-CA 3.25Å; N485-T520 WeakPolarHBondContact OD1-CA 3.44Å; N485-K523 HydrophobicContact CB-CG 4.11Å; N485-K523 WeakPolarHBondContact OD1-CB 3.37Å; N485-K523 VanDerWaalsContact OD1-CG 3.3Å; N485-K523 WeakPolarHBondContact OD1-CG 3.47Å
486A95.6Very high92.9Very high1 Ų133.9 Ų33.91%0.00818%0.184CC..Hα-helixtrans-63.7-38177.100000111.6E444 L447 Q451 Y482 V483 Q489 T490E444-A486 HydrophobicContact CG-CB 4.01Å; L447-A486 HydrophobicContact CB-CB 3.88Å; L447-A486 HydrophobicContact CD1-CB 3.73Å; L447-A486 HydrophobicContact CG-CB 4.43Å; Q451-A486 PolarHBondContact NE2-O 3.48Å; Y482-A486 WeakPolarHBondContact O-CB 3.49Å; Y482-A486 PolarHBondContact O-N 2.88Å; V483-A486 CarbonylContact O-C 3.56Å; V483-A486 PolarHBondContact O-N 3.19Å; V483-A486 VanDerWaalsContact O-N 3.16Å; A486-Q489 PolarHBondContact O-N 3.04Å; A486-T490 WeakPolarHBondContact O-CB 3.37Å; A486-T490 PolarHBondContact O-N 2.86Å; A486-T490 PolarHBondContact O-OG1 2.85Å
487M97.2Very high93.1Very high0 Ų033.6 Ų33.60%018%0.183CC..Hα-helixtrans-61.6-45.9174.5-68.117279.100111.4L447 L473 L476 R478 V483 L484 N485 Q489 T490 I491 I510L447-M487 HydrophobicContact CD1-CG 3.59Å; L447-M487 HydrophobicContact CD2-CG 4.03Å; L473-M487 HydrophobicContact CD1-CB 4.24Å; L473-M487 HydrophobicContact CD1-CE 3.92Å; L473-M487 HydrophobicContact CD1-CG 3.87Å; L473-M487 HydrophobicContact CG-CE 4.43Å; L473-M487 VanDerWaalsContact O-CE 3.25Å; L473-M487 WeakPolarHBondContact O-CE 3.26Å; L476-M487 HydrophobicContact CB-CE 4.42Å; R478-M487 HydrophobicContact CG-CE 4.08Å; R478-M487 HydrophobicContact CG-SD 4.18Å; V483-M487 HydrophobicContact CG1-CG 4.18Å; V483-M487 HydrophobicContact CG1-SD 3.86Å; V483-M487 WeakPolarHBondContact O-CG 3.32Å; V483-M487 PolarHBondContact O-N 3.15Å; L484-M487 PolarHBondContact O-N 3.2Å; N485-M487 VanDerWaalsContact C-N 3.33Å; N485-M487 PolarHBondContact O-N 3.17Å; M487-Q489 VanDerWaalsContact C-N 3.34Å; M487-Q489 PolarHBondContact O-N 3.46Å; M487-T490 PolarHBondContact O-N 3.06Å; M487-I491 VanDerWaalsContact O-CG1 3.3Å; M487-I491 WeakPolarHBondContact O-CG1 3.48Å; M487-I491 PolarHBondContact O-N 2.87Å; M487-I510 HydrophobicContact CB-CG2 3.75Å; M487-I510 HydrophobicContact CE-CB 4.43Å; M487-I510 HydrophobicContact CE-CD1 3.65Å; M487-I510 HydrophobicContact CE-CG1 3.76Å; M487-I510 HydrophobicContact CE-CG2 3.81Å; M487-I510 HydrophobicContact SD-CG2 4.4Å
488C97.3Very high93.4Very high0 Ų031.5 Ų31.50%017%0.169CC..Hα-helixtrans-62.6-41.8176-66.50000111.7L484 N485 I491 K492 K523 A527L484-C488 PolarHBondContact O-N 3.33Å; L484-C488 PolarHBondContact O-SG 2.71Å; N485-C488 PolarHBondContact O-N 3.09Å; C488-I491 PolarHBondContact O-N 3.09Å; C488-K492 PolarHBondContact O-N 3.37Å; C488-K523 HydrophobicContact CB-CB 3.93Å; C488-A527 HydrophobicContact CB-CB 4.34Å; C488-A527 WeakPolarHBondContact O-CB 3.28Å
489Q96.9Very high93.6Very high63 Ų6332.3 Ų32.329%0.29418%0.176SC..Hα-helixtrans-64-42.3175.1-74.9178.1-37.300112.3N485 A486 M487 I491 K492 S493 K523N485-Q489 WeakPolarHBondContact O-CG 3.41Å; N485-Q489 PolarHBondContact O-N 3.2Å; A486-Q489 PolarHBondContact O-N 3.04Å; M487-Q489 VanDerWaalsContact C-N 3.34Å; M487-Q489 PolarHBondContact O-N 3.46Å; Q489-I491 VanDerWaalsContact C-N 3.32Å; Q489-I491 PolarHBondContact O-N 2.75Å; Q489-K492 WeakPolarHBondContact O-CB 3.35Å; Q489-K492 PolarHBondContact O-N 2.81Å; Q489-S493 PolarHBondContact O-N 2.85Å; Q489-S493 PolarHBondContact O-OG 3.35Å; Q489-S493 VanDerWaalsContact O-OG 3.13Å; Q489-K523 HydrophobicContact CG-CB 4.29Å; Q489-K523 HydrophobicContact CG-CD 3.88Å; Q489-K523 HydrophobicContact CG-CG 4.11Å; Q489-K523 VanDerWaalsContact NE2-CE 3.33Å
490T97.3Very high93.9Very high0 Ų033 Ų330%017%0.168CC..Hα-helixtrans-62.3-41175.9-59.30000111.4L447 F450 Q451 F468 A486 M487 S493 L494L447-T490 HydrophobicContact CD2-CG2 4.35Å; L447-T490 PolarHBondContact O-OG1 3.11Å; F450-T490 HydrophobicContact CB-CG2 3.95Å; Q451-T490 WeakPolarHBondContact CG-OG1 3.49Å; Q451-T490 PolarHBondContact NE2-OG1 2.87Å; F468-T490 HydrophobicContact CE1-CG2 4.02Å; A486-T490 WeakPolarHBondContact O-CB 3.37Å; A486-T490 PolarHBondContact O-N 2.86Å; A486-T490 PolarHBondContact O-OG1 2.85Å; M487-T490 PolarHBondContact O-N 3.06Å; T490-S493 PolarHBondContact O-N 3.15Å; T490-L494 HydrophobicContact CG2-CD1 3.81Å; T490-L494 WeakPolarHBondContact O-CB 3.22Å; T490-L494 PolarHBondContact O-N 3.26Å
491I96.8Very high94Very high0 Ų035.4 Ų35.40%018%0.175CC..Hα-helixtrans-59.7-48.2173.2-72170.6000110.5L473 M487 C488 Q489 L494 T495 I498 L507 I510 I511 A527 I531L473-I491 HydrophobicContact CD2-CG1 4.08Å; M487-I491 VanDerWaalsContact O-CG1 3.3Å; M487-I491 WeakPolarHBondContact O-CG1 3.48Å; M487-I491 PolarHBondContact O-N 2.87Å; C488-I491 PolarHBondContact O-N 3.09Å; Q489-I491 VanDerWaalsContact C-N 3.32Å; Q489-I491 PolarHBondContact O-N 2.75Å; I491-L494 PolarHBondContact O-N 2.85Å; I491-T495 PolarHBondContact O-N 2.87Å; I491-T495 PolarHBondContact O-OG1 3.42Å; I491-I498 HydrophobicContact CB-CD1 4.39Å; I491-I498 HydrophobicContact CG2-CD1 3.96Å; I491-I498 WeakPolarHBondContact O-CD1 3.27Å; I491-L507 HydrophobicContact CD1-CB 4.2Å; I491-L507 HydrophobicContact CG1-CD1 4.46Å; I491-I510 HydrophobicContact CD1-CB 3.93Å; I491-I510 HydrophobicContact CD1-CD1 4.13Å; I491-I510 HydrophobicContact CD1-CG2 3.76Å; I491-I511 HydrophobicContact CD1-CG1 4.17Å; I491-I511 HydrophobicContact CG2-CD1 4.33Å; I491-A527 HydrophobicContact CG2-CB 4.28Å; I491-I531 HydrophobicContact CG2-CD1 3.24Å; I491-I531 HydrophobicContact CG2-CG1 4.2Å
492K95.6Very high94Very high86 Ų8637.7 Ų37.737%0.37419%0.186SC..Hα-helixtrans-56.5-54.7176.4-174.9-161.9171.6-171.70110.9C488 Q489 L494 T495 A526 A527 E530C488-K492 PolarHBondContact O-N 3.37Å; Q489-K492 WeakPolarHBondContact O-CB 3.35Å; Q489-K492 PolarHBondContact O-N 2.81Å; K492-L494 VanDerWaalsContact C-N 3.28Å; K492-L494 PolarHBondContact O-N 3.42Å; K492-T495 WeakPolarHBondContact O-CB 3.48Å; K492-T495 PolarHBondContact O-N 3.44Å; K492-T495 PolarHBondContact O-OG1 3.43Å; K492-A526 HydrophobicContact CD-CB 4.14Å; K492-A527 HydrophobicContact CB-CB 4.26Å; K492-E530 HydrophobicContact CG-CB 3.83Å; K492-E530 HydrophobicContact CG-CG 3.98Å
493S95.9Very high94.1Very high50 Ų5033.3 Ų33.335%0.3517%0.169SC..Hα-helixtrans-61.5-35.3-176-62.60000112.7A454 Q489 T490A454-S493 WeakPolarHBondContact CB-O 3.49Å; Q489-S493 PolarHBondContact O-N 2.85Å; Q489-S493 PolarHBondContact O-OG 3.35Å; Q489-S493 VanDerWaalsContact O-OG 3.13Å; T490-S493 PolarHBondContact O-N 3.15Å
494L95.3Very high93.9Very high0 Ų033.6 Ų33.60%017%0.17CC..THydrogen-bonded Turntrans-9721.3-178-65.3171.7000113.8F450 A454 V465 L469 T490 I491 K492 S496 V497 I498F450-L494 HydrophobicContact CB-CD1 4.25Å; A454-L494 HydrophobicContact CB-CD2 3.84Å; A454-L494 HydrophobicContact CB-CG 4.39Å; V465-L494 HydrophobicContact CG1-CD1 3.95Å; V465-L494 HydrophobicContact CG1-CD2 4.09Å; L469-L494 HydrophobicContact CD1-CB 4.2Å; L469-L494 HydrophobicContact CD1-CD1 4.19Å; L469-L494 HydrophobicContact CD2-CB 4.42Å; L469-L494 HydrophobicContact CD2-CD1 3.91Å; L469-L494 HydrophobicContact CG-CD1 4.23Å; T490-L494 HydrophobicContact CG2-CD1 3.81Å; T490-L494 WeakPolarHBondContact O-CB 3.22Å; T490-L494 PolarHBondContact O-N 3.26Å; I491-L494 PolarHBondContact O-N 2.85Å; K492-L494 VanDerWaalsContact C-N 3.28Å; K492-L494 PolarHBondContact O-N 3.42Å; L494-S496 VanDerWaalsContact C-N 3.26Å; L494-S496 PolarHBondContact O-N 2.72Å; L494-V497 HydrophobicContact CD2-CG2 4.38Å; L494-V497 PolarHBondContact O-N 3.19Å; L494-V497 VanDerWaalsContact O-N 3.1Å; L494-I498 WeakPolarHBondContact O-CG1 3.33Å; L494-I498 PolarHBondContact O-N 3.03Å
495T92.6Very high93.6Very high10 Ų1037.8 Ų37.86%0.06120%0.2CC..Hα-helixtrans-55.6-39.4-177-62.30000112.7I491 K492 V497 I498 E499 E530 I531I491-T495 PolarHBondContact O-N 2.87Å; I491-T495 PolarHBondContact O-OG1 3.42Å; K492-T495 WeakPolarHBondContact O-CB 3.48Å; K492-T495 PolarHBondContact O-N 3.44Å; K492-T495 PolarHBondContact O-OG1 3.43Å; T495-V497 VanDerWaalsContact C-N 3.35Å; T495-V497 PolarHBondContact O-N 3.48Å; T495-I498 PolarHBondContact O-N 3.06Å; T495-E499 WeakPolarHBondContact O-CB 3.34Å; T495-E499 PolarHBondContact O-N 3.41Å; T495-E530 HydrophobicContact CG2-CG 4.1Å; T495-E530 VanDerWaalsContact OG1-CG 3.25Å; T495-E530 WeakPolarHBondContact OG1-CG 3.45Å; T495-I531 HydrophobicContact CG2-CG1 4.32Å
496S90.1Very high93.4Very high67 Ų6741.4 Ų41.447%0.46921%0.212SC..Hα-helixtrans-59.7-41.8177.958.90000113L494 H500L494-S496 VanDerWaalsContact C-N 3.26Å; L494-S496 PolarHBondContact O-N 2.72Å; S496-H500 WeakPolarHBondContact O-CB 3.1Å; S496-H500 PolarHBondContact O-N 3.32Å
497V92.7Very high93.3Very high0 Ų041.4 Ų41.40%021%0.212CC..Hα-helixtrans-71.1-41.5177-1770000110.4V457 V466 L469 L494 T495 E499 H500 Y501V457-V497 HydrophobicContact CG1-CG2 4.06Å; V466-V497 HydrophobicContact CG2-CG1 4.05Å; L469-V497 HydrophobicContact CD1-CB 4.23Å; L469-V497 HydrophobicContact CD1-CG1 3.88Å; L494-V497 HydrophobicContact CD2-CG2 4.38Å; L494-V497 PolarHBondContact O-N 3.19Å; L494-V497 VanDerWaalsContact O-N 3.1Å; T495-V497 VanDerWaalsContact C-N 3.35Å; T495-V497 PolarHBondContact O-N 3.48Å; V497-E499 VanDerWaalsContact C-N 3.3Å; V497-E499 PolarHBondContact O-N 3.48Å; V497-H500 PolarHBondContact O-N 2.93Å; V497-Y501 HydrophobicContact CG1-CD2 3.92Å; V497-Y501 HydrophobicContact CG1-CE2 4.28Å; V497-Y501 WeakPolarHBondContact O-CD2 3.36Å; V497-Y501 PolarHBondContact O-N 3.01Å; V497-Y501 VanDerWaalsContact O-N 3.08Å
498I93.1Very high93Very high0 Ų042.3 Ų42.30%022%0.217CC..Hα-helixtrans-60.8-41.5177.3-66.7167.2000110.7L469 I491 L494 T495 N502 L503 Y504 L507L469-I498 HydrophobicContact CD1-CG1 3.98Å; L469-I498 HydrophobicContact CD2-CD1 4.46Å; L469-I498 HydrophobicContact CD2-CG1 4.42Å; I491-I498 HydrophobicContact CB-CD1 4.39Å; I491-I498 HydrophobicContact CG2-CD1 3.96Å; I491-I498 WeakPolarHBondContact O-CD1 3.27Å; L494-I498 WeakPolarHBondContact O-CG1 3.33Å; L494-I498 PolarHBondContact O-N 3.03Å; T495-I498 PolarHBondContact O-N 3.06Å; I498-N502 WeakPolarHBondContact O-CA 3.26Å; I498-N502 PolarHBondContact O-N 3.16Å; I498-L503 HydrophobicContact CG2-CB 4.25Å; I498-L503 PolarHBondContact O-N 3.09Å; I498-Y504 HydrophobicContact CG2-CD1 3.65Å; I498-Y504 HydrophobicContact CG2-CE1 3.69Å; I498-Y504 HydrophobicContact CG2-CG 4.2Å; I498-L507 HydrophobicContact CD1-CD1 3.59Å; I498-L507 HydrophobicContact CG1-CD1 3.76Å; I498-L507 HydrophobicContact CG2-CD1 4.19Å
499E90.3Very high92.9Very high85 Ų8546.2 Ų46.240%0.39724%0.238SC..Hα-helixtrans-65.2-50.7176.2-178.1164.5173.700111.6T495 V497 Y501 N502 Y504 S534T495-E499 WeakPolarHBondContact O-CB 3.34Å; T495-E499 PolarHBondContact O-N 3.41Å; V497-E499 VanDerWaalsContact C-N 3.3Å; V497-E499 PolarHBondContact O-N 3.48Å; E499-Y501 VanDerWaalsContact C-N 3.25Å; E499-Y501 PolarHBondContact O-N 2.93Å; E499-N502 PolarHBondContact O-N 3.1Å; E499-N502 VanDerWaalsContact O-N 3.17Å; E499-Y504 VanDerWaalsContact CA-OH 3.24Å; E499-Y504 WeakPolarHBondContact CA-OH 3.25Å; E499-Y504 WeakPolarHBondContact CB-OH 3.24Å; E499-Y504 WeakPolarHBondContact CG-OH 3.43Å; E499-S534 WeakPolarHBondContact OE1-CB 3.45Å; E499-S534 PolarHBondContact OE1-OG 3.15Å; E499-S534 WeakPolarHBondContact OE2-CB 3.31Å; E499-S534 PolarHBondContact OE2-OG 3.35Å
500H90Very high92.8Very high114 Ų11443.2 Ų43.253%0.52822%0.224SC..Hα-helixtrans-57.1-38.6-179.1-171.986.9000112.8C459 S496 V497C459-H500 HydrophobicContact CB-CB 4.37Å; S496-H500 WeakPolarHBondContact O-CB 3.1Å; S496-H500 PolarHBondContact O-N 3.32Å; V497-H500 PolarHBondContact O-N 2.93Å
501Y90.9Very high92.7Very high86 Ų8643.3 Ų43.334%0.33722%0.224SC..THydrogen-bonded Turntrans-100.64.7-178.7-71.2-78.4000114.6C459 V466 V497 E499 L503C459-Y501 PolarHBondContact O-OH 2.92Å; V466-Y501 HydrophobicContact CG1-CD1 4.33Å; V466-Y501 HydrophobicContact CG1-CG 4.32Å; V466-Y501 HydrophobicContact CG2-CD1 4.42Å; V466-Y501 HydrophobicContact CG2-CD2 3.49Å; V466-Y501 VanDerWaalsContact CG2-CD2 3.49Å; V466-Y501 HydrophobicContact CG2-CE1 4.27Å; V466-Y501 HydrophobicContact CG2-CE2 3.28Å; V466-Y501 HydrophobicContact CG2-CG 4.06Å; V497-Y501 HydrophobicContact CG1-CD2 3.92Å; V497-Y501 HydrophobicContact CG1-CE2 4.28Å; V497-Y501 WeakPolarHBondContact O-CD2 3.36Å; V497-Y501 PolarHBondContact O-N 3.01Å; V497-Y501 VanDerWaalsContact O-N 3.08Å; E499-Y501 VanDerWaalsContact C-N 3.25Å; E499-Y501 PolarHBondContact O-N 2.93Å; Y501-L503 PolarHBondContact O-N 3.17Å
502N91.5Very high92.6Very high89 Ų8944.9 Ų44.948%0.47623%0.232SC..THydrogen-bonded Turntrans50.747.3179.6-167.430.1000114I498 E499 Y504 S538I498-N502 WeakPolarHBondContact O-CA 3.26Å; I498-N502 PolarHBondContact O-N 3.16Å; E499-N502 PolarHBondContact O-N 3.1Å; E499-N502 VanDerWaalsContact O-N 3.17Å; N502-Y504 VanDerWaalsContact C-N 3.32Å; N502-Y504 PolarHBondContact O-N 3.47Å; N502-Y504 WeakPolarHBondContact OD1-CD2 3.42Å; N502-S538 WeakPolarHBondContact OD1-CB 3.35Å; N502-S538 PolarHBondContact OD1-OG 3.35Å
503L92.5Very high92.5Very high8 Ų843.5 Ų43.54%0.04223%0.229CC..  trans-86.84.9-173.2-61.4178.2000114.4L469 Q470 I498 Y501 S505 R506 L507L469-L503 HydrophobicContact CB-CD1 3.72Å; L469-L503 HydrophobicContact CD1-CD1 4.28Å; Q470-L503 HydrophobicContact CB-CD1 4.48Å; Q470-L503 HydrophobicContact CB-CD2 4.2Å; Q470-L503 HydrophobicContact CG-CD2 4.22Å; I498-L503 HydrophobicContact CG2-CB 4.25Å; I498-L503 PolarHBondContact O-N 3.09Å; Y501-L503 PolarHBondContact O-N 3.17Å; L503-S505 PolarHBondContact O-N 3.1Å; L503-R506 PolarHBondContact O-N 2.88Å; L503-R506 VanDerWaalsContact O-N 3.08Å; L503-L507 HydrophobicContact CB-CD1 4.32Å
504Y90.6Very high92.4Very high8 Ų841.1 Ų41.13%0.03121%0.213CC..Hα-helixtrans-53.5-45-171.7-57.5-74.5000114.5I498 E499 N502 R506 L507 V508 I531 S538 T539 V542I498-Y504 HydrophobicContact CG2-CD1 3.65Å; I498-Y504 HydrophobicContact CG2-CE1 3.69Å; I498-Y504 HydrophobicContact CG2-CG 4.2Å; E499-Y504 VanDerWaalsContact CA-OH 3.24Å; E499-Y504 WeakPolarHBondContact CA-OH 3.25Å; E499-Y504 WeakPolarHBondContact CB-OH 3.24Å; E499-Y504 WeakPolarHBondContact CG-OH 3.43Å; N502-Y504 VanDerWaalsContact C-N 3.32Å; N502-Y504 PolarHBondContact O-N 3.47Å; N502-Y504 WeakPolarHBondContact OD1-CD2 3.42Å; Y504-R506 PolarHBondContact O-N 3.18Å; Y504-R506 VanDerWaalsContact O-N 3.16Å; Y504-L507 PolarHBondContact O-N 3.14Å; Y504-V508 PolarHBondContact O-N 3.48Å; Y504-I531 HydrophobicContact CD1-CG2 3.67Å; Y504-I531 HydrophobicContact CE1-CB 4.48Å; Y504-I531 HydrophobicContact CE1-CG1 4.4Å; Y504-I531 HydrophobicContact CE1-CG2 3.64Å; Y504-S538 VanDerWaalsContact CD2-CB 3.5Å; Y504-T539 HydrophobicContact CD1-CG2 4.45Å; Y504-T539 HydrophobicContact CE1-CG2 3.82Å; Y504-T539 HydrophobicContact CE2-CG2 4.2Å; Y504-V542 HydrophobicContact CD1-CG2 4.43Å; Y504-V542 HydrophobicContact CG-CG2 4.33Å
505S88.8Confident92.3Very high97 Ų9741.1 Ų41.168%0.67821%0.213SC*.Hα-helixtrans-65.1-21.4-176.768.50000113.4L503L503-S505 PolarHBondContact O-N 3.1Å
506R89.7Confident92.2Very high105 Ų10544.2 Ų44.240%0.39623%0.234SC..Hα-helixtrans-85.2-19.7177.6-60.8-169.4-178.5-142.74.1113Q470 P474 L503 Y504Q470-R506 WeakPolarHBondContact O-CD 3.24Å; Q470-R506 PolarHBondContact O-NH1 3.28Å; P474-R506 HydrophobicContact CG-CB 4.44Å; L503-R506 PolarHBondContact O-N 2.88Å; L503-R506 VanDerWaalsContact O-N 3.08Å; Y504-R506 PolarHBondContact O-N 3.18Å; Y504-R506 VanDerWaalsContact O-N 3.16Å
507L93.9Very high92.1Very high2 Ų243 Ų431%0.0123%0.226CC..Hα-helixtrans-110-14.9-171.7-61.1175.7000112.6L469 L473 P474 I491 I498 L503 Y504 D509 I510 I511L469-L507 HydrophobicContact CD2-CD1 4.46Å; L473-L507 HydrophobicContact CD2-CD2 3.73Å; L473-L507 HydrophobicContact CG-CD2 4.2Å; P474-L507 HydrophobicContact CG-CD2 4.16Å; I491-L507 HydrophobicContact CD1-CB 4.2Å; I491-L507 HydrophobicContact CG1-CD1 4.46Å; I498-L507 HydrophobicContact CD1-CD1 3.59Å; I498-L507 HydrophobicContact CG1-CD1 3.76Å; I498-L507 HydrophobicContact CG2-CD1 4.19Å; L503-L507 HydrophobicContact CB-CD1 4.32Å; Y504-L507 PolarHBondContact O-N 3.14Å; L507-D509 VanDerWaalsContact C-N 3.26Å; L507-D509 PolarHBondContact O-N 3.47Å; L507-I510 HydrophobicContact CD2-CD1 3.77Å; L507-I510 WeakPolarHBondContact O-CB 3.46Å; L507-I510 PolarHBondContact O-N 3.05Å; L507-I510 VanDerWaalsContact O-N 3.07Å; L507-I511 PolarHBondContact O-N 3.21Å
508V92.4Very high91.9Very high18 Ų1845.6 Ų45.611%0.10924%0.242CC..Hα-helixtrans-57.1-37.2-177.869.60000112.9Y504 I510 I511 L512 V542 V545Y504-V508 PolarHBondContact O-N 3.48Å; V508-I510 VanDerWaalsContact C-N 3.27Å; V508-I510 PolarHBondContact O-N 3.37Å; V508-I511 WeakPolarHBondContact O-CB 3.43Å; V508-I511 PolarHBondContact O-N 2.91Å; V508-I511 VanDerWaalsContact O-N 3.12Å; V508-L512 WeakPolarHBondContact O-CG 3.34Å; V508-L512 PolarHBondContact O-N 3.4Å; V508-V542 HydrophobicContact CG2-CG1 4.25Å; V508-V545 HydrophobicContact CG2-CB 4.27Å; V508-V545 HydrophobicContact CG2-CG1 3.86Å
509D94.1Very high91.8Very high83 Ų8352.2 Ų52.244%0.44427%0.273SS..Hα-helixtrans-63.4-35.1179.5-64.6-22.9000112L507 I511 L512 D513L507-D509 VanDerWaalsContact C-N 3.26Å; L507-D509 PolarHBondContact O-N 3.47Å; D509-I511 VanDerWaalsContact C-N 3.31Å; D509-I511 PolarHBondContact O-N 3.41Å; D509-L512 PolarHBondContact O-N 2.92Å; D509-D513 WeakPolarHBondContact O-CB 3.33Å; D509-D513 PolarHBondContact O-N 2.79Å
510I95.5Very high92Very high0 Ų048.2 Ų48.20%025%0.254CS..Hα-helixtrans-64.3-41.5176.7-58.9166.5000109.9L473 L484 M487 I491 L507 V508 D513 G514L473-I510 HydrophobicContact CD2-CD1 4.34Å; L473-I510 HydrophobicContact CG-CD1 3.88Å; L484-I510 HydrophobicContact CD1-CG2 4.07Å; M487-I510 HydrophobicContact CB-CG2 3.75Å; M487-I510 HydrophobicContact CE-CB 4.43Å; M487-I510 HydrophobicContact CE-CD1 3.65Å; M487-I510 HydrophobicContact CE-CG1 3.76Å; M487-I510 HydrophobicContact CE-CG2 3.81Å; M487-I510 HydrophobicContact SD-CG2 4.4Å; I491-I510 HydrophobicContact CD1-CB 3.93Å; I491-I510 HydrophobicContact CD1-CD1 4.13Å; I491-I510 HydrophobicContact CD1-CG2 3.76Å; L507-I510 HydrophobicContact CD2-CD1 3.77Å; L507-I510 WeakPolarHBondContact O-CB 3.46Å; L507-I510 PolarHBondContact O-N 3.05Å; L507-I510 VanDerWaalsContact O-N 3.07Å; V508-I510 VanDerWaalsContact C-N 3.27Å; V508-I510 PolarHBondContact O-N 3.37Å; I510-D513 PolarHBondContact O-N 3.34Å; I510-G514 PolarHBondContact O-N 3.28Å
511I94.4Very high92.1Very high2 Ų242.8 Ų42.81%0.0123%0.229CC..Hα-helixtrans-65.6-43.6177.6-61.3173.2000109.9I491 L507 V508 D509 D513 G514 L515 V528 I531 V546I491-I511 HydrophobicContact CD1-CG1 4.17Å; I491-I511 HydrophobicContact CG2-CD1 4.33Å; L507-I511 PolarHBondContact O-N 3.21Å; V508-I511 WeakPolarHBondContact O-CB 3.43Å; V508-I511 PolarHBondContact O-N 2.91Å; V508-I511 VanDerWaalsContact O-N 3.12Å; D509-I511 VanDerWaalsContact C-N 3.31Å; D509-I511 PolarHBondContact O-N 3.41Å; I511-D513 VanDerWaalsContact C-N 3.32Å; I511-D513 PolarHBondContact O-N 3.17Å; I511-G514 CarbonylContact O-C 3.49Å; I511-G514 PolarHBondContact O-N 3.5Å; I511-G514 VanDerWaalsContact O-N 3.15Å; I511-L515 HydrophobicContact CG2-CD1 4.19Å; I511-L515 HydrophobicContact CG2-CG 4.44Å; I511-L515 VanDerWaalsContact O-CG 3.28Å; I511-L515 WeakPolarHBondContact O-CG 3.42Å; I511-L515 PolarHBondContact O-N 2.91Å; I511-V528 HydrophobicContact CG2-CG2 3.34Å; I511-I531 HydrophobicContact CD1-CD1 3.4Å; I511-I531 VanDerWaalsContact CD1-CD1 3.4Å; I511-V546 HydrophobicContact CG2-CG1 4.18Å
512L94.5Very high92.3Very high32 Ų3240.2 Ų40.217%0.16822%0.221CC..Hα-helixtrans-62.1-38.6176.9-72.1177.1000113V508 D509 L515 S516 V545 V546 R549V508-L512 WeakPolarHBondContact O-CG 3.34Å; V508-L512 PolarHBondContact O-N 3.4Å; D509-L512 PolarHBondContact O-N 2.92Å; L512-L515 CarbonylContact O-C 3.54Å; L512-L515 PolarHBondContact O-N 3.46Å; L512-S516 PolarHBondContact O-N 2.61Å; L512-V545 HydrophobicContact CD1-CG1 3.6Å; L512-V545 HydrophobicContact CD2-CG1 3.98Å; L512-V545 HydrophobicContact CG-CG1 4.11Å; L512-V546 HydrophobicContact CD2-CG1 4.17Å; L512-R549 PolarHBondContact O-NH1 3.3Å
513D94.2Very high92.5Very high58 Ų5839.1 Ų39.131%0.3121%0.212SC..Hα-helixtrans-65.5-43.7173.2-67.5-25.1000109.8R478 L484 D509 I510 I511 L515 S516R478-D513 WeakPolarHBondContact CD-OD2 3.34Å; R478-D513 IonicContact CZ-OD2 3.81Å; R478-D513 IonicContact NE-OD2 2.83Å; R478-D513 IonicContact NH1-OD2 3.8Å; R478-D513 PolarHBondContact NH1-OD2 3.38Å; L484-D513 HydrophobicContact CD1-CB 4.1Å; L484-D513 HydrophobicContact CD2-CB 4.16Å; D509-D513 WeakPolarHBondContact O-CB 3.33Å; D509-D513 PolarHBondContact O-N 2.79Å; I510-D513 PolarHBondContact O-N 3.34Å; I511-D513 VanDerWaalsContact C-N 3.32Å; I511-D513 PolarHBondContact O-N 3.17Å; D513-L515 PolarHBondContact O-N 2.85Å; D513-S516 WeakPolarHBondContact O-CB 3.38Å; D513-S516 PolarHBondContact O-N 2.98Å; D513-S516 PolarHBondContact O-OG 3.39Å
514G93.7Very high92.7Very high0 Ų038.8 Ų38.80%021%0.21CC..Hα-helixtrans-62.2-31.4174.700000113.2I510 I511 S516 T520 A524I510-G514 PolarHBondContact O-N 3.28Å; I511-G514 CarbonylContact O-C 3.49Å; I511-G514 PolarHBondContact O-N 3.5Å; I511-G514 VanDerWaalsContact O-N 3.15Å; G514-S516 PolarHBondContact O-N 3.24Å; G514-T520 CarbonylContact O-C 3.57Å; G514-T520 WeakPolarHBondContact O-CB 3.41Å; G514-T520 PolarHBondContact O-OG1 3.44Å; G514-A524 VanDerWaalsContact C-CB 3.45Å
515L93.1Very high92.9Very high0 Ų038.6 Ų38.60%021%0.21CC..THydrogen-bonded Turntrans-8110.2170.9-62.4173.9000112.4I511 L512 D513 L521 A524 L525 V528 V546 R549 L550 Y553I511-L515 HydrophobicContact CG2-CD1 4.19Å; I511-L515 HydrophobicContact CG2-CG 4.44Å; I511-L515 VanDerWaalsContact O-CG 3.28Å; I511-L515 WeakPolarHBondContact O-CG 3.42Å; I511-L515 PolarHBondContact O-N 2.91Å; L512-L515 CarbonylContact O-C 3.54Å; L512-L515 PolarHBondContact O-N 3.46Å; D513-L515 PolarHBondContact O-N 2.85Å; L515-L521 HydrophobicContact CD2-CD1 3.66Å; L515-A524 HydrophobicContact CD2-CB 3.73Å; L515-A524 HydrophobicContact CG-CB 4.01Å; L515-L525 HydrophobicContact CD2-CD2 4.15Å; L515-L525 HydrophobicContact CD2-CG 4.42Å; L515-V528 HydrophobicContact CD1-CG2 4.45Å; L515-V546 HydrophobicContact CD1-CB 4.01Å; L515-V546 HydrophobicContact CD1-CG1 4.06Å; L515-R549 HydrophobicContact CB-CG 3.71Å; L515-R549 HydrophobicContact CD1-CG 4.44Å; L515-R549 WeakPolarHBondContact O-CD 3.49Å; L515-R549 WeakPolarHBondContact O-CG 3.42Å; L515-R549 PolarHBondContact O-NH1 2.95Å; L515-R549 VanDerWaalsContact O-NH1 3.1Å; L515-L550 HydrophobicContact CD1-CD2 4.11Å; L515-L550 HydrophobicContact CD2-CD2 3.92Å; L515-Y553 WeakPolarHBondContact O-CE2 3.38Å; L515-Y553 PolarHBondContact O-OH 3.38Å
516S89.9Confident93.2Very high74 Ų7435.3 Ų35.352%0.51719%0.189SC..THydrogen-bonded Turntrans-91.2-17.8178.573.10000114.2L512 D513 G514 Y553L512-S516 PolarHBondContact O-N 2.61Å; D513-S516 WeakPolarHBondContact O-CB 3.38Å; D513-S516 PolarHBondContact O-N 2.98Å; D513-S516 PolarHBondContact O-OG 3.39Å; G514-S516 PolarHBondContact O-N 3.24Å; S516-Y553 PolarHBondContact O-OH 2.73Å
517S88.8Confident93.5Very high41 Ų4130.3 Ų30.329%0.28717%0.17SC..SBendtrans-133.9144.1-177.6175.80000111.8Q519 T520 L521 Y553S517-Q519 PolarHBondContact O-N 3.42Å; S517-Q519 PolarHBondContact OG-N 3.31Å; S517-T520 PolarHBondContact O-N 2.85Å; S517-T520 PolarHBondContact O-OG1 3.04Å; S517-L521 WeakPolarHBondContact O-CB 3.23Å; S517-L521 PolarHBondContact O-N 3.16Å; S517-Y553 PolarHBondContact N-OH 3.36Å
518V88.9Confident93.5Very high56 Ų5630.2 Ų30.234%0.33917%0.169SC..Hα-helixtrans-60.1-31174.5-1800000111.6T520 L521 Y553V518-T520 VanDerWaalsContact C-N 3.26Å; V518-T520 PolarHBondContact O-N 3.49Å; V518-L521 PolarHBondContact O-N 3.46Å; V518-Y553 HydrophobicContact CG2-CE1 4.27Å
519Q90.4Very high93.4Very high139 Ų13931.8 Ų31.865%0.6518%0.176SC*.Hα-helixtrans-68.4-23.8-179.8-64.4-179.1-7.700113.6V481 N485 S517V481-Q519 HydrophobicContact CG1-CB 3.85Å; N485-Q519 PolarHBondContact ND2-O 3.46Å; S517-Q519 PolarHBondContact O-N 3.42Å; S517-Q519 PolarHBondContact OG-N 3.31Å
520T93.4Very high93.3Very high0 Ų031.3 Ų31.30%017%0.171CC..Hα-helixtrans-108.1-9.6178.8510000113.5V481 L484 N485 G514 S517 V518 D522 K523 A524V481-T520 HydrophobicContact CB-CG2 4.39Å; V481-T520 HydrophobicContact CG1-CG2 3.78Å; L484-T520 HydrophobicContact CB-CG2 4.21Å; L484-T520 HydrophobicContact CD2-CG2 4.09Å; L484-T520 HydrophobicContact CG-CG2 4.17Å; N485-T520 VanDerWaalsContact OD1-CA 3.25Å; N485-T520 WeakPolarHBondContact OD1-CA 3.44Å; G514-T520 CarbonylContact O-C 3.57Å; G514-T520 WeakPolarHBondContact O-CB 3.41Å; G514-T520 PolarHBondContact O-OG1 3.44Å; S517-T520 PolarHBondContact O-N 2.85Å; S517-T520 PolarHBondContact O-OG1 3.04Å; V518-T520 VanDerWaalsContact C-N 3.26Å; V518-T520 PolarHBondContact O-N 3.49Å; T520-D522 VanDerWaalsContact C-N 3.32Å; T520-D522 PolarHBondContact O-N 3.02Å; T520-K523 PolarHBondContact O-N 3.48Å; T520-A524 PolarHBondContact O-N 3.06Å
521L93.9Very high93.1Very high0 Ų031.4 Ų31.40%017%0.172CC..Hα-helixtrans-56.8-42.3-172.1-175.357.8000112.4L515 S517 V518 K523 A524 L525 Y553 I559 I563L515-L521 HydrophobicContact CD2-CD1 3.66Å; S517-L521 WeakPolarHBondContact O-CB 3.23Å; S517-L521 PolarHBondContact O-N 3.16Å; V518-L521 PolarHBondContact O-N 3.46Å; L521-K523 PolarHBondContact O-N 3.48Å; L521-A524 PolarHBondContact O-N 3.17Å; L521-L525 HydrophobicContact CD1-CD1 4.05Å; L521-L525 HydrophobicContact CD1-CD2 4.33Å; L521-L525 HydrophobicContact CD1-CG 3.93Å; L521-L525 HydrophobicContact CG-CD1 3.86Å; L521-L525 HydrophobicContact CG-CG 4.21Å; L521-L525 WeakPolarHBondContact O-CB 3.39Å; L521-L525 WeakPolarHBondContact O-CG 3.46Å; L521-L525 PolarHBondContact O-N 3.28Å; L521-Y553 HydrophobicContact CD1-CD2 4.11Å; L521-Y553 HydrophobicContact CD1-CE2 3.84Å; L521-Y553 HydrophobicContact CD2-CD1 4.16Å; L521-Y553 HydrophobicContact CD2-CE1 4.15Å; L521-Y553 HydrophobicContact CD2-CE2 4.48Å; L521-Y553 HydrophobicContact CD2-CG 4.35Å; L521-I559 HydrophobicContact CD2-CD1 4.26Å; L521-I559 HydrophobicContact CD2-CG2 4.23Å; L521-I563 HydrophobicContact CB-CG2 4.38Å; L521-I563 HydrophobicContact CD2-CG2 3.71Å; L521-I563 HydrophobicContact CG-CG2 3.88Å
522D94.3Very high92.8Very high33 Ų3331.3 Ų31.318%0.17617%0.171CC..Hα-helixtrans-57.5-50.8179.3177.445.2000112.7T520 L525 A526 R566T520-D522 VanDerWaalsContact C-N 3.32Å; T520-D522 PolarHBondContact O-N 3.02Å; D522-L525 PolarHBondContact O-N 3.43Å; D522-A526 PolarHBondContact O-N 3.33Å; D522-R566 IonicContact OD1-CZ 3.08Å; D522-R566 IonicContact OD1-NE 2.63Å; D522-R566 IonicContact OD1-NH1 3.76Å; D522-R566 PolarHBondContact OD1-NH1 2.85Å; D522-R566 IonicContact OD2-NH1 2.63Å
523K95.6Very high92.3Very high66 Ų6635.4 Ų35.429%0.28719%0.189SC..Hα-helixtrans-70.5-36.3-177.8-57.2-48177.4-148.90111.7N485 C488 Q489 T520 L521 A526 A527N485-K523 HydrophobicContact CB-CG 4.11Å; N485-K523 WeakPolarHBondContact OD1-CB 3.37Å; N485-K523 VanDerWaalsContact OD1-CG 3.3Å; N485-K523 WeakPolarHBondContact OD1-CG 3.47Å; C488-K523 HydrophobicContact CB-CB 3.93Å; Q489-K523 HydrophobicContact CG-CB 4.29Å; Q489-K523 HydrophobicContact CG-CD 3.88Å; Q489-K523 HydrophobicContact CG-CG 4.11Å; Q489-K523 VanDerWaalsContact NE2-CE 3.33Å; T520-K523 PolarHBondContact O-N 3.48Å; L521-K523 PolarHBondContact O-N 3.48Å; K523-A526 PolarHBondContact O-N 3.46Å; K523-A527 PolarHBondContact O-N 3.38Å
524A96.3Very high91.4Very high0 Ų033.9 Ų33.90%018%0.184CC..Hα-helixtrans-64.1-45.1174.700000111.8G514 L515 T520 L521 A526 A527 V528G514-A524 VanDerWaalsContact C-CB 3.45Å; L515-A524 HydrophobicContact CD2-CB 3.73Å; L515-A524 HydrophobicContact CG-CB 4.01Å; T520-A524 PolarHBondContact O-N 3.06Å; L521-A524 PolarHBondContact O-N 3.17Å; A524-A526 VanDerWaalsContact C-N 3.34Å; A524-A526 PolarHBondContact O-N 2.93Å; A524-A527 PolarHBondContact O-N 3.44Å; A524-V528 WeakPolarHBondContact O-CG2 3.32Å; A524-V528 PolarHBondContact O-N 3.23Å
525L95.5Very high90.4Very high4 Ų438.7 Ų38.72%0.02121%0.205CC..Hα-helixtrans-61.1-42.5176-71.9173.2000111.8L515 L521 D522 A527 V528 M529 L550 I563 R566 L567 C570L515-L525 HydrophobicContact CD2-CD2 4.15Å; L515-L525 HydrophobicContact CD2-CG 4.42Å; L521-L525 HydrophobicContact CD1-CD1 4.05Å; L521-L525 HydrophobicContact CD1-CD2 4.33Å; L521-L525 HydrophobicContact CD1-CG 3.93Å; L521-L525 HydrophobicContact CG-CD1 3.86Å; L521-L525 HydrophobicContact CG-CG 4.21Å; L521-L525 WeakPolarHBondContact O-CB 3.39Å; L521-L525 WeakPolarHBondContact O-CG 3.46Å; L521-L525 PolarHBondContact O-N 3.28Å; D522-L525 PolarHBondContact O-N 3.43Å; L525-A527 VanDerWaalsContact C-N 3.33Å; L525-A527 PolarHBondContact O-N 3.38Å; L525-V528 PolarHBondContact O-N 2.87Å; L525-M529 WeakPolarHBondContact O-CB 3.26Å; L525-M529 VanDerWaalsContact O-CG 3.32Å; L525-M529 WeakPolarHBondContact O-CG 2.97Å; L525-M529 PolarHBondContact O-N 2.93Å; L525-L550 HydrophobicContact CD2-CD2 3.6Å; L525-I563 HydrophobicContact CD1-CG2 4.1Å; L525-R566 HydrophobicContact CD1-CB 4.39Å; L525-L567 HydrophobicContact CD1-CB 3.97Å; L525-L567 HydrophobicContact CD2-CD1 3.87Å; L525-C570 HydrophobicContact CD2-CB 3.86Å
526A95.3Very high89.7Confident29 Ų2940.5 Ų40.524%0.2422%0.217CC..Hα-helixtrans-61.8-41176.300000112K492 D522 K523 A524 M529 E530K492-A526 HydrophobicContact CD-CB 4.14Å; D522-A526 PolarHBondContact O-N 3.33Å; K523-A526 PolarHBondContact O-N 3.46Å; A524-A526 VanDerWaalsContact C-N 3.34Å; A524-A526 PolarHBondContact O-N 2.93Å; A526-M529 PolarHBondContact O-N 2.86Å; A526-E530 PolarHBondContact O-N 3.18Å; A526-E530 VanDerWaalsContact O-N 3.13Å
527A95.4Very high89Confident0 Ų042.1 Ų42.10%023%0.228CC..Hα-helixtrans-65.4-42.5175.700000112.4C488 I491 K492 K523 A524 L525 E530 I531C488-A527 HydrophobicContact CB-CB 4.34Å; C488-A527 WeakPolarHBondContact O-CB 3.28Å; I491-A527 HydrophobicContact CG2-CB 4.28Å; K492-A527 HydrophobicContact CB-CB 4.26Å; K523-A527 PolarHBondContact O-N 3.38Å; A524-A527 PolarHBondContact O-N 3.44Å; L525-A527 VanDerWaalsContact C-N 3.33Å; L525-A527 PolarHBondContact O-N 3.38Å; A527-E530 PolarHBondContact O-N 3.32Å; A527-I531 WeakPolarHBondContact O-CB 3.42Å; A527-I531 WeakPolarHBondContact O-CG1 3.31Å; A527-I531 PolarHBondContact O-N 2.93Å
528V93.8Very high88.7Confident0 Ų041.7 Ų41.70%023%0.225CC..Hα-helixtrans-60.9-46.3175.2174.60000110.7I511 L515 A524 L525 E530 I531 T532 V546 C570 I574I511-V528 HydrophobicContact CG2-CG2 3.34Å; L515-V528 HydrophobicContact CD1-CG2 4.45Å; A524-V528 WeakPolarHBondContact O-CG2 3.32Å; A524-V528 PolarHBondContact O-N 3.23Å; L525-V528 PolarHBondContact O-N 2.87Å; V528-E530 VanDerWaalsContact C-N 3.3Å; V528-E530 PolarHBondContact O-N 3.26Å; V528-I531 PolarHBondContact O-N 2.92Å; V528-T532 HydrophobicContact CG1-CG2 4.26Å; V528-T532 WeakPolarHBondContact O-CB 3.14Å; V528-T532 WeakPolarHBondContact O-CG2 3.32Å; V528-T532 PolarHBondContact O-N 3.29Å; V528-T532 PolarHBondContact O-OG1 2.96Å; V528-V546 HydrophobicContact CG1-CG2 4.22Å; V528-V546 HydrophobicContact CG2-CG1 4.43Å; V528-C570 WeakPolarHBondContact CG1-SG 3.23Å; V528-I574 HydrophobicContact CG1-CD1 3.81Å; V528-I574 HydrophobicContact CG1-CG1 4.42Å
529M91.2Very high88.5Confident51 Ų5139 Ų3925%0.25121%0.209SC..Hα-helixtrans-59.6-41.4-179.6-78.6-64.7-69.300112.3L525 A526 E533 T569 C570 R573L525-M529 WeakPolarHBondContact O-CB 3.26Å; L525-M529 VanDerWaalsContact O-CG 3.32Å; L525-M529 WeakPolarHBondContact O-CG 2.97Å; L525-M529 PolarHBondContact O-N 2.93Å; A526-M529 PolarHBondContact O-N 2.86Å; M529-E533 PolarHBondContact O-N 3.36Å; M529-E533 VanDerWaalsContact O-N 3.13Å; M529-T569 HydrophobicContact CE-CG2 4Å; M529-C570 HydrophobicContact CG-CB 4.07Å; M529-C570 WeakPolarHBondContact SD-CA 3.34Å; M529-C570 HydrophobicContact SD-CB 3.86Å; M529-R573 VanDerWaalsContact O-CZ 3.3Å; M529-R573 PolarHBondContact O-NH1 3.23Å; M529-R573 HydrophobicContact SD-CB 4.07Å; M529-R573 VanDerWaalsContact SD-CD 3.57Å; M529-R573 HydrophobicContact SD-CG 4.43Å
530E91.6Very high88.2Confident72 Ų7234.7 Ų34.734%0.33619%0.194SC..Hα-helixtrans-71-46.7178.5-159.574.8-150.900111.6K492 T495 A526 A527 V528 T532 E533K492-E530 HydrophobicContact CG-CB 3.83Å; K492-E530 HydrophobicContact CG-CG 3.98Å; T495-E530 HydrophobicContact CG2-CG 4.1Å; T495-E530 VanDerWaalsContact OG1-CG 3.25Å; T495-E530 WeakPolarHBondContact OG1-CG 3.45Å; A526-E530 PolarHBondContact O-N 3.18Å; A526-E530 VanDerWaalsContact O-N 3.13Å; A527-E530 PolarHBondContact O-N 3.32Å; V528-E530 VanDerWaalsContact C-N 3.3Å; V528-E530 PolarHBondContact O-N 3.26Å; E530-T532 VanDerWaalsContact C-N 3.3Å; E530-T532 PolarHBondContact O-N 3.38Å; E530-E533 WeakPolarHBondContact O-CA 3.49Å; E530-E533 WeakPolarHBondContact O-CB 3.46Å; E530-E533 PolarHBondContact O-N 3Å
531I90.4Very high87.9Confident3 Ų337.5 Ų37.52%0.01522%0.218CC..Hα-helixtrans-62-39.7178.7-79.6165.7000112I491 T495 Y504 I511 A527 V528 E533 T539 V542I491-I531 HydrophobicContact CG2-CD1 3.24Å; I491-I531 HydrophobicContact CG2-CG1 4.2Å; T495-I531 HydrophobicContact CG2-CG1 4.32Å; Y504-I531 HydrophobicContact CD1-CG2 3.67Å; Y504-I531 HydrophobicContact CE1-CB 4.48Å; Y504-I531 HydrophobicContact CE1-CG1 4.4Å; Y504-I531 HydrophobicContact CE1-CG2 3.64Å; I511-I531 HydrophobicContact CD1-CD1 3.4Å; I511-I531 VanDerWaalsContact CD1-CD1 3.4Å; A527-I531 WeakPolarHBondContact O-CB 3.42Å; A527-I531 WeakPolarHBondContact O-CG1 3.31Å; A527-I531 PolarHBondContact O-N 2.93Å; V528-I531 PolarHBondContact O-N 2.92Å; I531-E533 PolarHBondContact O-N 2.92Å; I531-T539 HydrophobicContact CG2-CG2 4.28Å; I531-T539 WeakPolarHBondContact O-CG2 3.37Å; I531-V542 HydrophobicContact CG2-CG1 4.32Å
532T88.3Confident87.7Confident0 Ų037.8 Ų37.80%022%0.219CC..THydrogen-bonded Turntrans-84.20.7178.961.50000112.8V528 E530 R573 I574 F577V528-T532 HydrophobicContact CG1-CG2 4.26Å; V528-T532 WeakPolarHBondContact O-CB 3.14Å; V528-T532 WeakPolarHBondContact O-CG2 3.32Å; V528-T532 PolarHBondContact O-N 3.29Å; V528-T532 PolarHBondContact O-OG1 2.96Å; E530-T532 VanDerWaalsContact C-N 3.3Å; E530-T532 PolarHBondContact O-N 3.38Å; T532-R573 VanDerWaalsContact C-CZ 3.48Å; T532-R573 VanDerWaalsContact C-NE 3.29Å; T532-R573 PolarHBondContact O-NE 2.98Å; T532-R573 PolarHBondContact O-NH2 3.28Å; T532-R573 WeakPolarHBondContact OG1-CD 3.32Å; T532-R573 PolarHBondContact OG1-NE 3.35Å; T532-I574 HydrophobicContact CG2-CD1 3.73Å; T532-F577 HydrophobicContact CG2-CE2 4.2Å; T532-F577 HydrophobicContact CG2-CZ 4.32Å
533E84.6Confident87.4Confident117 Ų11736.4 Ų36.455%0.54721%0.212SC..SBendtrans3-100.1134.6-147.7-177.9-174.600116.5M529 E530 I531 R573M529-E533 PolarHBondContact O-N 3.36Å; M529-E533 VanDerWaalsContact O-N 3.13Å; E530-E533 WeakPolarHBondContact O-CA 3.49Å; E530-E533 WeakPolarHBondContact O-CB 3.46Å; E530-E533 PolarHBondContact O-N 3Å; I531-E533 PolarHBondContact O-N 2.92Å; E533-R573 VanDerWaalsContact N-CZ 3.29Å; E533-R573 PolarHBondContact O-NH2 3.1Å
534S75.9Confident87.1Confident27 Ų2737 Ų3719%0.18923%0.225CC..SBendtrans-74123.5175.647.70000110.2E499 S536 T539E499-S534 WeakPolarHBondContact OE1-CB 3.45Å; E499-S534 PolarHBondContact OE1-OG 3.15Å; E499-S534 WeakPolarHBondContact OE2-CB 3.31Å; E499-S534 PolarHBondContact OE2-OG 3.35Å; S534-S536 PolarHBondContact O-N 3.1Å; S534-T539 WeakPolarHBondContact O-CB 3.38Å; S534-T539 WeakPolarHBondContact O-CG2 3.48Å; S534-T539 PolarHBondContact O-OG1 2.95Å
535K71.8Confident86.8Confident101 Ų10140.1 Ų40.144%0.43924%0.244SC..  trans-76.964.1173.1-65-166.6-179.9-162.90110.9S576 F577 S629K535-S576 PolarHBondContact NZ-OG 2.72Å; K535-F577 HydrophobicContact CB-CE1 4.37Å; K535-F577 HydrophobicContact CG-CE1 4.37Å; K535-F577 HydrophobicContact CG-CZ 4.28Å; K535-S629 PolarHBondContact NZ-O 3.32Å
536S77.9Confident86.7Confident37 Ų3740 Ų4026%0.25924%0.243SC..  trans-92165.8176.375.10000111.9S534 S538 T539 S540S534-S536 PolarHBondContact O-N 3.1Å; S536-S538 VanDerWaalsContact C-N 3.28Å; S536-S538 PolarHBondContact O-N 3.42Å; S536-T539 PolarHBondContact N-OG1 3.33Å; S536-T539 PolarHBondContact O-N 3.48Å; S536-T539 PolarHBondContact O-OG1 2.74Å; S536-T539 WeakPolarHBondContact OG-CG2 3.44Å; S536-T539 PolarHBondContact OG-N 2.75Å; S536-T539 PolarHBondContact OG-OG1 3.03Å; S536-S540 PolarHBondContact O-N 3.08Å
537S76.1Confident86.5Confident109 Ų10940 Ų4076%0.76224%0.238SC*.Hα-helixtrans-63.1-35.8176.351.40000112.3S540 A541S537-S540 WeakPolarHBondContact O-CB 3.48Å; S537-S540 PolarHBondContact O-N 3.47Å; S537-A541 PolarHBondContact O-N 3.15Å
538S81.8Confident86.2Confident31 Ų3143.6 Ų43.622%0.21726%0.263CS..Hα-helixtrans-69.8-38.3178.3-59.20000112.9N502 Y504 S536 S540 A541 V542N502-S538 WeakPolarHBondContact OD1-CB 3.35Å; N502-S538 PolarHBondContact OD1-OG 3.35Å; Y504-S538 VanDerWaalsContact CD2-CB 3.5Å; S536-S538 VanDerWaalsContact C-N 3.28Å; S536-S538 PolarHBondContact O-N 3.42Å; S538-S540 VanDerWaalsContact C-N 3.28Å; S538-S540 PolarHBondContact O-N 3.01Å; S538-A541 WeakPolarHBondContact O-CB 3.45Å; S538-A541 PolarHBondContact O-N 2.82Å; S538-V542 PolarHBondContact O-N 2.75Å
539T84.6Confident86Confident0 Ų046.9 Ų46.90%028%0.276CS..Hα-helixtrans-70.9-27.6177.257.10000111.7Y504 I531 S534 S536 A541 V542 A543 F577Y504-T539 HydrophobicContact CD1-CG2 4.45Å; Y504-T539 HydrophobicContact CE1-CG2 3.82Å; Y504-T539 HydrophobicContact CE2-CG2 4.2Å; I531-T539 HydrophobicContact CG2-CG2 4.28Å; I531-T539 WeakPolarHBondContact O-CG2 3.37Å; S534-T539 WeakPolarHBondContact O-CB 3.38Å; S534-T539 WeakPolarHBondContact O-CG2 3.48Å; S534-T539 PolarHBondContact O-OG1 2.95Å; S536-T539 PolarHBondContact N-OG1 3.33Å; S536-T539 PolarHBondContact O-N 3.48Å; S536-T539 PolarHBondContact O-OG1 2.74Å; S536-T539 WeakPolarHBondContact OG-CG2 3.44Å; S536-T539 PolarHBondContact OG-N 2.75Å; S536-T539 PolarHBondContact OG-OG1 3.03Å; T539-A541 VanDerWaalsContact C-N 3.33Å; T539-A541 PolarHBondContact O-N 2.98Å; T539-V542 PolarHBondContact O-N 3.12Å; T539-A543 WeakPolarHBondContact O-CB 3.23Å; T539-A543 PolarHBondContact O-N 3.4Å; T539-F577 WeakPolarHBondContact OG1-CE1 3.26Å
540S85.5Confident86.1Confident48 Ų4844.5 Ų44.534%0.33626%0.264SS..Hα-helixtrans-60.5-39.3170.2-172.70000112.8S536 S537 S538 A543 S544S536-S540 PolarHBondContact O-N 3.08Å; S537-S540 WeakPolarHBondContact O-CB 3.48Å; S537-S540 PolarHBondContact O-N 3.47Å; S538-S540 VanDerWaalsContact C-N 3.28Å; S538-S540 PolarHBondContact O-N 3.01Å; S540-A543 WeakPolarHBondContact O-CB 3.29Å; S540-A543 PolarHBondContact O-N 3.26Å; S540-S544 PolarHBondContact O-N 3.38Å
541A86.9Confident86Confident60 Ų6042.4 Ų42.450%0.49626%0.259SS..Hα-helixtrans-64.5-42.2175.700000111.9S537 S538 T539 S544 V545S537-A541 PolarHBondContact O-N 3.15Å; S538-A541 WeakPolarHBondContact O-CB 3.45Å; S538-A541 PolarHBondContact O-N 2.82Å; T539-A541 VanDerWaalsContact C-N 3.33Å; T539-A541 PolarHBondContact O-N 2.98Å; A541-S544 PolarHBondContact O-N 3.12Å; A541-V545 WeakPolarHBondContact O-CG2 3.36Å; A541-V545 PolarHBondContact O-N 2.89Å
542V88.3Confident85.8Confident6 Ų647.8 Ų47.84%0.03628%0.284CS..Hα-helixtrans-61.5-47.2173.9177.60000110.6Y504 V508 I531 S538 T539 S544 V545 V546Y504-V542 HydrophobicContact CD1-CG2 4.43Å; Y504-V542 HydrophobicContact CG-CG2 4.33Å; V508-V542 HydrophobicContact CG2-CG1 4.25Å; I531-V542 HydrophobicContact CG2-CG1 4.32Å; S538-V542 PolarHBondContact O-N 2.75Å; T539-V542 PolarHBondContact O-N 3.12Å; V542-S544 VanDerWaalsContact C-N 3.32Å; V542-S544 PolarHBondContact O-N 2.91Å; V542-V545 PolarHBondContact O-N 3.04Å; V542-V546 HydrophobicContact CG1-CG1 4.33Å; V542-V546 WeakPolarHBondContact O-CG2 3.39Å; V542-V546 PolarHBondContact O-N 2.97Å
543A89Confident85.8Confident3 Ų348.8 Ų48.83%0.02529%0.288CS..Hα-helixtrans-55.7-46.2179.800000111.8T539 S540 V545 V546 E547 I574 F577T539-A543 WeakPolarHBondContact O-CB 3.23Å; T539-A543 PolarHBondContact O-N 3.4Å; S540-A543 WeakPolarHBondContact O-CB 3.29Å; S540-A543 PolarHBondContact O-N 3.26Å; A543-V545 VanDerWaalsContact C-N 3.28Å; A543-V545 PolarHBondContact O-N 2.86Å; A543-V546 WeakPolarHBondContact O-CG2 3.32Å; A543-V546 PolarHBondContact O-N 3.33Å; A543-E547 WeakPolarHBondContact O-CB 3.39Å; A543-E547 PolarHBondContact O-N 2.96Å; A543-E547 VanDerWaalsContact O-N 3.1Å; A543-I574 HydrophobicContact CB-CD1 3.87Å; A543-I574 HydrophobicContact CB-CG2 4.15Å; A543-I574 VanDerWaalsContact O-CG2 3.3Å; A543-I574 WeakPolarHBondContact O-CG2 3.28Å; A543-F577 HydrophobicContact CB-CB 4.3Å; A543-F577 HydrophobicContact CB-CD1 4.44Å; A543-F577 HydrophobicContact CB-CD2 3.84Å; A543-F577 HydrophobicContact CB-CE2 4.29Å; A543-F577 HydrophobicContact CB-CG 3.93Å
544S89.5Confident85.9Confident80 Ų8044.3 Ų44.356%0.55927%0.268SS*.Hα-helixtrans-62-33.9177.4-175.50000113.3S540 A541 V542S540-S544 PolarHBondContact O-N 3.38Å; A541-S544 PolarHBondContact O-N 3.12Å; V542-S544 VanDerWaalsContact C-N 3.32Å; V542-S544 PolarHBondContact O-N 2.91Å
545V90Very high86.3Confident65 Ų6550.6 Ų50.639%0.39429%0.294SS..Hα-helixtrans-77-41.3-177.3169.60000111V508 L512 A541 V542 A543V508-V545 HydrophobicContact CG2-CB 4.27Å; V508-V545 HydrophobicContact CG2-CG1 3.86Å; L512-V545 HydrophobicContact CD1-CG1 3.6Å; L512-V545 HydrophobicContact CD2-CG1 3.98Å; L512-V545 HydrophobicContact CG-CG1 4.11Å; A541-V545 WeakPolarHBondContact O-CG2 3.36Å; A541-V545 PolarHBondContact O-N 2.89Å; V542-V545 PolarHBondContact O-N 3.04Å; A543-V545 VanDerWaalsContact C-N 3.28Å; A543-V545 PolarHBondContact O-N 2.86Å
546V93.1Very high86.7Confident0 Ų048.6 Ų48.60%029%0.288CS..Hα-helixtrans-78.1-25.5-178.4-58.80000113.5I511 L512 L515 V528 V542 A543 S548 R549 L550 I574I511-V546 HydrophobicContact CG2-CG1 4.18Å; L512-V546 HydrophobicContact CD2-CG1 4.17Å; L515-V546 HydrophobicContact CD1-CB 4.01Å; L515-V546 HydrophobicContact CD1-CG1 4.06Å; V528-V546 HydrophobicContact CG1-CG2 4.22Å; V528-V546 HydrophobicContact CG2-CG1 4.43Å; V542-V546 HydrophobicContact CG1-CG1 4.33Å; V542-V546 WeakPolarHBondContact O-CG2 3.39Å; V542-V546 PolarHBondContact O-N 2.97Å; A543-V546 WeakPolarHBondContact O-CG2 3.32Å; A543-V546 PolarHBondContact O-N 3.33Å; V546-S548 VanDerWaalsContact C-N 3.33Å; V546-S548 PolarHBondContact O-N 3.29Å; V546-R549 PolarHBondContact O-N 3.13Å; V546-L550 HydrophobicContact CG2-CD1 4.28Å; V546-L550 WeakPolarHBondContact O-CG 3.35Å; V546-L550 PolarHBondContact O-N 3.35Å; V546-I574 HydrophobicContact CG2-CD1 3.87Å; V546-I574 HydrophobicContact CG2-CG1 3.99Å
547E91.8Very high86.2Confident29 Ų2951.4 Ų51.414%0.13629%0.293CS..Hα-helixtrans-50.3-49-175.1-174.7-167.6169.600113.3A543 R549 L550 A551 Y571 I574 K578A543-E547 WeakPolarHBondContact O-CB 3.39Å; A543-E547 PolarHBondContact O-N 2.96Å; A543-E547 VanDerWaalsContact O-N 3.1Å; E547-R549 PolarHBondContact O-N 3.03Å; E547-L550 PolarHBondContact O-N 3.02Å; E547-A551 WeakPolarHBondContact O-CB 3.42Å; E547-A551 PolarHBondContact O-N 3.38Å; E547-Y571 HydrophobicContact CG-CE2 3.92Å; E547-I574 HydrophobicContact CB-CG2 3.76Å; E547-I574 HydrophobicContact CG-CG2 4.06Å; E547-K578 IonicContact OE1-NZ 3.31Å; E547-K578 PolarHBondContact OE1-NZ 2.98Å; E547-K578 WeakPolarHBondContact OE2-CE 3.3Å; E547-K578 IonicContact OE2-NZ 3.8Å; E547-K578 PolarHBondContact OE2-NZ 3.24Å
548S89.2Confident86.5Confident76 Ų7654.6 Ų54.653%0.53130%0.296SS..Hα-helixtrans-59.8-37.7-177.265.10000112.1V546 Q552V546-S548 VanDerWaalsContact C-N 3.33Å; V546-S548 PolarHBondContact O-N 3.29Å; S548-Q552 WeakPolarHBondContact O-CG 3.41Å; S548-Q552 PolarHBondContact O-N 2.79Å
549R89.3Confident86.7Confident70 Ų7053.7 Ų53.726%0.26429%0.289SS..Hα-helixtrans-73.6-39.5178.7-173.962.66776.24.9111.7L512 L515 V546 E547 A551 Q552 Y553L512-R549 PolarHBondContact O-NH1 3.3Å; L515-R549 HydrophobicContact CB-CG 3.71Å; L515-R549 HydrophobicContact CD1-CG 4.44Å; L515-R549 WeakPolarHBondContact O-CD 3.49Å; L515-R549 WeakPolarHBondContact O-CG 3.42Å; L515-R549 PolarHBondContact O-NH1 2.95Å; L515-R549 VanDerWaalsContact O-NH1 3.1Å; V546-R549 PolarHBondContact O-N 3.13Å; E547-R549 PolarHBondContact O-N 3.03Å; R549-A551 VanDerWaalsContact C-N 3.34Å; R549-Q552 PolarHBondContact O-N 3.46Å; R549-Y553 HydrophobicContact CG-CD2 4.46Å; R549-Y553 HydrophobicContact CG-CE2 4.17Å; R549-Y553 WeakPolarHBondContact O-CD2 3.41Å; R549-Y553 PolarHBondContact O-N 3.13Å
550L92Very high86.9Confident0 Ų056.5 Ų56.50%031%0.307CS..Hα-helixtrans-63.7-42.2175.5-60.8-179000111.1L515 L525 V546 E547 Q552 Y553 L554 L567 Y571 I574L515-L550 HydrophobicContact CD1-CD2 4.11Å; L515-L550 HydrophobicContact CD2-CD2 3.92Å; L525-L550 HydrophobicContact CD2-CD2 3.6Å; V546-L550 HydrophobicContact CG2-CD1 4.28Å; V546-L550 WeakPolarHBondContact O-CG 3.35Å; V546-L550 PolarHBondContact O-N 3.35Å; E547-L550 PolarHBondContact O-N 3.02Å; L550-Q552 VanDerWaalsContact C-N 3.34Å; L550-Q552 PolarHBondContact O-N 2.91Å; L550-Y553 PolarHBondContact O-N 2.97Å; L550-L554 PolarHBondContact O-N 3.1Å; L550-L567 HydrophobicContact CB-CD1 4.12Å; L550-L567 HydrophobicContact CD2-CD1 3.66Å; L550-L567 HydrophobicContact CG-CD1 4.44Å; L550-Y571 HydrophobicContact CB-CD2 3.81Å; L550-I574 HydrophobicContact CD1-CB 4.46Å; L550-I574 HydrophobicContact CD1-CG1 3.63Å
551A89.7Confident87.1Confident29 Ų2957.4 Ų57.424%0.2431%0.313CS..Hα-helixtrans-60.9-40.3176.900000112.5E547 R549 Y553 L554 E555 Y571E547-A551 WeakPolarHBondContact O-CB 3.42Å; E547-A551 PolarHBondContact O-N 3.38Å; R549-A551 VanDerWaalsContact C-N 3.34Å; A551-Y553 VanDerWaalsContact C-N 3.33Å; A551-Y553 PolarHBondContact O-N 3.48Å; A551-L554 PolarHBondContact O-N 3.37Å; A551-E555 PolarHBondContact O-N 3.03Å; A551-Y571 HydrophobicContact CB-CE2 4.02Å
552Q87.7Confident87.1Confident115 Ų11558.3 Ų58.354%0.53731%0.31SS..Hα-helixtrans-60.7-38.6175.8-74.4170.7-3.800112.8S548 R549 L550 E555S548-Q552 WeakPolarHBondContact O-CG 3.41Å; S548-Q552 PolarHBondContact O-N 2.79Å; R549-Q552 PolarHBondContact O-N 3.46Å; L550-Q552 VanDerWaalsContact C-N 3.34Å; L550-Q552 PolarHBondContact O-N 2.91Å; Q552-E555 PolarHBondContact O-N 3.31Å
553Y87.4Confident87.2Confident22 Ų2258.9 Ų58.99%0.08631%0.313CS..Hα-helixtrans-71.2-29.8176.2-81.6-67.5000113.5L515 S516 S517 V518 L521 R549 L550 A551 E555 N556 I559 L567L515-Y553 WeakPolarHBondContact O-CE2 3.38Å; L515-Y553 PolarHBondContact O-OH 3.38Å; S516-Y553 PolarHBondContact O-OH 2.73Å; S517-Y553 PolarHBondContact N-OH 3.36Å; V518-Y553 HydrophobicContact CG2-CE1 4.27Å; L521-Y553 HydrophobicContact CD1-CD2 4.11Å; L521-Y553 HydrophobicContact CD1-CE2 3.84Å; L521-Y553 HydrophobicContact CD2-CD1 4.16Å; L521-Y553 HydrophobicContact CD2-CE1 4.15Å; L521-Y553 HydrophobicContact CD2-CE2 4.48Å; L521-Y553 HydrophobicContact CD2-CG 4.35Å; R549-Y553 HydrophobicContact CG-CD2 4.46Å; R549-Y553 HydrophobicContact CG-CE2 4.17Å; R549-Y553 WeakPolarHBondContact O-CD2 3.41Å; R549-Y553 PolarHBondContact O-N 3.13Å; L550-Y553 PolarHBondContact O-N 2.97Å; A551-Y553 VanDerWaalsContact C-N 3.33Å; A551-Y553 PolarHBondContact O-N 3.48Å; Y553-E555 PolarHBondContact O-N 2.89Å; Y553-N556 PolarHBondContact O-N 3.02Å; Y553-N556 VanDerWaalsContact O-O 3.06Å; Y553-I559 HydrophobicContact CD1-CD1 3.59Å; Y553-I559 HydrophobicContact CD1-CG1 4.32Å; Y553-I559 HydrophobicContact CG-CD1 4.01Å; Y553-I559 WeakPolarHBondContact O-CD1 3.49Å; Y553-L567 VanDerWaalsContact CB-CD2 3.47Å
554L86.3Confident87.4Confident23 Ų2359.3 Ų59.312%0.1231%0.314CS..Hα-helixtrans-64.6-25.2175.7-69.3175.8000112.3L550 A551 N556 Y564 L567 L568 Y571 A590L550-L554 PolarHBondContact O-N 3.1Å; A551-L554 PolarHBondContact O-N 3.37Å; L554-N556 VanDerWaalsContact C-N 3.32Å; L554-Y564 HydrophobicContact CD2-CE2 4.1Å; L554-L567 HydrophobicContact CD2-CD2 3.71Å; L554-L567 HydrophobicContact CD2-CG 3.83Å; L554-L567 HydrophobicContact CG-CD2 4.14Å; L554-L567 HydrophobicContact CG-CG 4.31Å; L554-L568 HydrophobicContact CD2-CD2 3.46Å; L554-L568 VanDerWaalsContact CD2-CD2 3.46Å; L554-L568 HydrophobicContact CD2-CG 4.08Å; L554-Y571 HydrophobicContact CD1-CD1 3.33Å; L554-Y571 HydrophobicContact CD1-CD2 4.16Å; L554-Y571 HydrophobicContact CD1-CE1 3.75Å; L554-Y571 HydrophobicContact CD1-CG 3.56Å; L554-A590 HydrophobicContact CD1-CB 4.27Å
555E84Confident87.4Confident158 Ų15856.6 Ų56.674%0.73829%0.293SS*.Hα-helixtrans-77.4-19.6172.5-62.4179.3174.200112.3A551 Q552 Y553A551-E555 PolarHBondContact O-N 3.03Å; Q552-E555 PolarHBondContact O-N 3.31Å; Y553-E555 PolarHBondContact O-N 2.89Å
556N79.8Confident87.4Confident59 Ų5958.4 Ų58.432%0.31629%0.292SS..  trans-95.8109-179.5-172.1-3.9000112.1Y553 L554 E558Y553-N556 PolarHBondContact O-N 3.02Å; Y553-N556 VanDerWaalsContact O-O 3.06Å; L554-N556 VanDerWaalsContact C-N 3.32Å; N556-E558 PolarHBondContact O-N 2.94Å; N556-E558 WeakPolarHBondContact OD1-CB 3.37Å; N556-E558 PolarHBondContact OD1-N 3.21Å
557R69.3Low87.3Confident97 Ų9758.4 Ų58.437%0.36629%0.292SS..THydrogen-bonded Turntrans-84.63.4179.2-69.2-157.8178.9-129.34.3115.3I559 E616R557-I559 PolarHBondContact O-N 2.93Å; R557-E616 IonicContact NH1-OE1 3.09Å; R557-E616 PolarHBondContact NH1-OE1 3.36Å; R557-E616 VanDerWaalsContact NH1-OE1 3.08Å
558E81.5Confident87.2Confident175 Ų17557 Ų5782%0.81829%0.286SS*.THydrogen-bonded Turntrans-80.73.4177.3-62.3-174.1164.900113.7N556N556-E558 PolarHBondContact O-N 2.94Å; N556-E558 WeakPolarHBondContact OD1-CB 3.37Å; N556-E558 PolarHBondContact OD1-N 3.21Å
559I86.3Confident87.2Confident12 Ų1254.8 Ų54.86%0.06227%0.269CS..SBendtrans-78.9137.3-179.6-55.4172.7000110.1L521 Y553 R557 S561 I563 Y564 L567L521-I559 HydrophobicContact CD2-CD1 4.26Å; L521-I559 HydrophobicContact CD2-CG2 4.23Å; Y553-I559 HydrophobicContact CD1-CD1 3.59Å; Y553-I559 HydrophobicContact CD1-CG1 4.32Å; Y553-I559 HydrophobicContact CG-CD1 4.01Å; Y553-I559 WeakPolarHBondContact O-CD1 3.49Å; R557-I559 PolarHBondContact O-N 2.93Å; I559-S561 PolarHBondContact O-N 3.05Å; I559-I563 HydrophobicContact CG2-CB 3.81Å; I559-I563 HydrophobicContact CG2-CG2 3.73Å; I559-Y564 HydrophobicContact CD1-CD2 4.43Å; I559-L567 HydrophobicContact CD1-CD2 3.91Å
560P89.2Confident87.2Confident59 Ų5951.5 Ų51.538%0.38326%0.257SS..  trans-51.9137.6171.6-27.635.6000112.7D562 I563 Y564P560-D562 VanDerWaalsContact C-N 3.29Å; P560-D562 WeakPolarHBondContact CB-OD1 3.39Å; P560-D562 PolarHBondContact O-N 3.34Å; P560-I563 HydrophobicContact CB-CD1 4.18Å; P560-I563 HydrophobicContact CB-CG1 4.3Å; P560-I563 HydrophobicContact CG-CD1 4.07Å; P560-I563 PolarHBondContact O-N 3.31Å; P560-Y564 PolarHBondContact O-N 2.91Å
561S88.2Confident87.2Confident68 Ų6852.3 Ų52.348%0.47626%0.26SS..Hα-helixtrans-54.7-41.4-170.6-58.40000113.6I559 I563 Y564 L565I559-S561 PolarHBondContact O-N 3.05Å; S561-I563 VanDerWaalsContact C-N 3.35Å; S561-I563 PolarHBondContact O-N 3.4Å; S561-Y564 PolarHBondContact O-N 3.49Å; S561-L565 WeakPolarHBondContact O-CG 3.43Å; S561-L565 PolarHBondContact O-N 2.92Å
562D88Confident87.1Confident78 Ų7851 Ų5142%0.41725%0.249SC..Hα-helixtrans-68.3-31.8179.967.5-57.5000113.2P560 R566P560-D562 VanDerWaalsContact C-N 3.29Å; P560-D562 WeakPolarHBondContact CB-OD1 3.39Å; P560-D562 PolarHBondContact O-N 3.34Å; D562-R566 PolarHBondContact O-N 3.06Å; D562-R566 PolarHBondContact O-NE 3.22Å; D562-R566 IonicContact OD2-CZ 3.64Å; D562-R566 IonicContact OD2-NH2 3.85Å; D562-R566 PolarHBondContact OD2-NH2 3.04Å
563I90.8Very high87Confident19 Ų1947.5 Ų47.510%0.09723%0.231CC..Hα-helixtrans-75.9-39.6173.8-59.5178.2000109.6L521 L525 I559 P560 S561 L565 R566 L567L521-I563 HydrophobicContact CB-CG2 4.38Å; L521-I563 HydrophobicContact CD2-CG2 3.71Å; L521-I563 HydrophobicContact CG-CG2 3.88Å; L525-I563 HydrophobicContact CD1-CG2 4.1Å; I559-I563 HydrophobicContact CG2-CB 3.81Å; I559-I563 HydrophobicContact CG2-CG2 3.73Å; P560-I563 HydrophobicContact CB-CD1 4.18Å; P560-I563 HydrophobicContact CB-CG1 4.3Å; P560-I563 HydrophobicContact CG-CD1 4.07Å; P560-I563 PolarHBondContact O-N 3.31Å; S561-I563 VanDerWaalsContact C-N 3.35Å; S561-I563 PolarHBondContact O-N 3.4Å; I563-L565 PolarHBondContact O-N 3.45Å; I563-R566 PolarHBondContact O-N 3.41Å; I563-L567 WeakPolarHBondContact O-CB 3.3Å; I563-L567 PolarHBondContact O-N 3.11Å
564Y91.6Very high87.2Confident12 Ų1246.6 Ų46.65%0.04723%0.227CC..Hα-helixtrans-61.1-41.9177.4-170.9-91.4000112.1L554 I559 P560 S561 R566 L567 L568 H594 F615L554-Y564 HydrophobicContact CD2-CE2 4.1Å; I559-Y564 HydrophobicContact CD1-CD2 4.43Å; P560-Y564 PolarHBondContact O-N 2.91Å; S561-Y564 PolarHBondContact O-N 3.49Å; Y564-R566 VanDerWaalsContact C-N 3.34Å; Y564-R566 PolarHBondContact O-N 3.26Å; Y564-L567 HydrophobicContact CD2-CD2 4.4Å; Y564-L567 WeakPolarHBondContact O-CB 3.22Å; Y564-L567 PolarHBondContact O-N 3.1Å; Y564-L568 HydrophobicContact CD1-CD1 3.84Å; Y564-L568 HydrophobicContact CD1-CG 4.08Å; Y564-L568 HydrophobicContact CE1-CD1 3.56Å; Y564-L568 HydrophobicContact CE1-CD2 4.02Å; Y564-L568 HydrophobicContact CE1-CG 3.77Å; Y564-L568 WeakPolarHBondContact O-CG 3.49Å; Y564-L568 PolarHBondContact O-N 3.12Å; Y564-H594 AromaticContact CE1-CE1 3.59Å; Y564-H594 AromaticContact CE1-NE2 3.74Å; Y564-H594 AromaticContact CZ-CE1 3.88Å; Y564-H594 AromaticContact CZ-NE2 3.86Å; Y564-H594 PolarHBondContact OH-CE1 3.4Å; Y564-H594 PolarHBondContact OH-NE2 2.87Å; Y564-H594 VanDerWaalsContact OH-NE2 3.07Å; Y564-F615 HydrophobicContact CD1-CE2 4.3Å; Y564-F615 AromaticContact CD1-CZ 3.66Å; Y564-F615 HydrophobicContact CD1-CZ 3.66Å; Y564-F615 HydrophobicContact CE1-CZ 4.21Å; Y564-F615 HydrophobicContact CG-CZ 4.26Å
565L90.6Very high87.2Confident22 Ų2245.7 Ų45.712%0.11522%0.222CC..Hα-helixtrans-62.2-39.4175.3-66.4175.9000112.7S561 I563 L568 T569 F615 D618 C619S561-L565 WeakPolarHBondContact O-CG 3.43Å; S561-L565 PolarHBondContact O-N 2.92Å; I563-L565 PolarHBondContact O-N 3.45Å; L565-L568 HydrophobicContact CD2-CD1 4.47Å; L565-T569 PolarHBondContact O-N 3.37Å; L565-T569 PolarHBondContact O-OG1 3.18Å; L565-F615 HydrophobicContact CD2-CE2 4.35Å; L565-F615 HydrophobicContact CG-CE2 4.42Å; L565-D618 HydrophobicContact CD1-CB 4.12Å; L565-D618 HydrophobicContact CD2-CB 3.88Å; L565-C619 HydrophobicContact CD2-CB 4.42Å
566R89.4Confident87.2Confident104 Ų10438.9 Ų38.939%0.39219%0.192SC..Hα-helixtrans-67.7-40.1174-74.7178.2-104.3-164.3-9.7111.9D522 L525 D562 I563 Y564 T569 C570D522-R566 IonicContact OD1-CZ 3.08Å; D522-R566 IonicContact OD1-NE 2.63Å; D522-R566 IonicContact OD1-NH1 3.76Å; D522-R566 PolarHBondContact OD1-NH1 2.85Å; D522-R566 IonicContact OD2-NH1 2.63Å; L525-R566 HydrophobicContact CD1-CB 4.39Å; D562-R566 PolarHBondContact O-N 3.06Å; D562-R566 PolarHBondContact O-NE 3.22Å; D562-R566 IonicContact OD2-CZ 3.64Å; D562-R566 IonicContact OD2-NH2 3.85Å; D562-R566 PolarHBondContact OD2-NH2 3.04Å; I563-R566 PolarHBondContact O-N 3.41Å; Y564-R566 VanDerWaalsContact C-N 3.34Å; Y564-R566 PolarHBondContact O-N 3.26Å; R566-T569 PolarHBondContact O-N 2.87Å; R566-C570 WeakPolarHBondContact O-CB 3.4Å; R566-C570 PolarHBondContact O-N 3.16Å
567L91.8Very high87.4Confident0 Ų038 Ų380%019%0.186CC..Hα-helixtrans-59.3-47.1174.9173.167.2000111.1L525 L550 Y553 L554 I559 I563 Y564 T569 C570 Y571L525-L567 HydrophobicContact CD1-CB 3.97Å; L525-L567 HydrophobicContact CD2-CD1 3.87Å; L550-L567 HydrophobicContact CB-CD1 4.12Å; L550-L567 HydrophobicContact CD2-CD1 3.66Å; L550-L567 HydrophobicContact CG-CD1 4.44Å; Y553-L567 VanDerWaalsContact CB-CD2 3.47Å; L554-L567 HydrophobicContact CD2-CD2 3.71Å; L554-L567 HydrophobicContact CD2-CG 3.83Å; L554-L567 HydrophobicContact CG-CD2 4.14Å; L554-L567 HydrophobicContact CG-CG 4.31Å; I559-L567 HydrophobicContact CD1-CD2 3.91Å; I563-L567 WeakPolarHBondContact O-CB 3.3Å; I563-L567 PolarHBondContact O-N 3.11Å; Y564-L567 HydrophobicContact CD2-CD2 4.4Å; Y564-L567 WeakPolarHBondContact O-CB 3.22Å; Y564-L567 PolarHBondContact O-N 3.1Å; L567-T569 VanDerWaalsContact C-N 3.33Å; L567-T569 PolarHBondContact O-N 2.82Å; L567-C570 PolarHBondContact O-N 2.7Å; L567-Y571 WeakPolarHBondContact O-CB 3.42Å; L567-Y571 PolarHBondContact O-N 3.15Å
568L89.9Confident88.1Confident0 Ų036.9 Ų36.90%018%0.184CC..Hα-helixtrans-57.1-47.3176-75.4174.1000111.5L554 Y564 L565 C570 Y571 G572 C619 Q623L554-L568 HydrophobicContact CD2-CD2 3.46Å; L554-L568 VanDerWaalsContact CD2-CD2 3.46Å; L554-L568 HydrophobicContact CD2-CG 4.08Å; Y564-L568 HydrophobicContact CD1-CD1 3.84Å; Y564-L568 HydrophobicContact CD1-CG 4.08Å; Y564-L568 HydrophobicContact CE1-CD1 3.56Å; Y564-L568 HydrophobicContact CE1-CD2 4.02Å; Y564-L568 HydrophobicContact CE1-CG 3.77Å; Y564-L568 WeakPolarHBondContact O-CG 3.49Å; Y564-L568 PolarHBondContact O-N 3.12Å; L565-L568 HydrophobicContact CD2-CD1 4.47Å; L568-C570 VanDerWaalsContact C-N 3.35Å; L568-C570 PolarHBondContact O-N 3.32Å; L568-Y571 PolarHBondContact O-N 2.91Å; L568-G572 PolarHBondContact O-N 3.44Å; L568-C619 HydrophobicContact CD1-CB 3.59Å; L568-Q623 HydrophobicContact CB-CG 4.13Å; L568-Q623 VanDerWaalsContact CB-NE2 3.32Å; L568-Q623 HydrophobicContact CD1-CG 4.42Å; L568-Q623 HydrophobicContact CD2-CG 4.07Å; L568-Q623 HydrophobicContact CG-CG 4.45Å; L568-Q623 PolarHBondContact O-NE2 2.97Å; L568-Q623 VanDerWaalsContact O-NE2 3.1Å; L568-Q623 PolarHBondContact O-OE1 2.84Å
569T88.5Confident88.1Confident29 Ų2934.7 Ų34.718%0.17817%0.173CC..Hα-helixtrans-61.3-45178.6-52.60000111.5M529 L565 R566 L567 G572 R573 H622M529-T569 HydrophobicContact CE-CG2 4Å; L565-T569 PolarHBondContact O-N 3.37Å; L565-T569 PolarHBondContact O-OG1 3.18Å; R566-T569 PolarHBondContact O-N 2.87Å; L567-T569 VanDerWaalsContact C-N 3.33Å; L567-T569 PolarHBondContact O-N 2.82Å; T569-G572 PolarHBondContact O-N 3.3Å; T569-R573 PolarHBondContact O-N 3.24Å; T569-H622 PolarHBondContact OG1-CD2 2.75Å; T569-H622 VanDerWaalsContact OG1-CD2 3.28Å
570C90.3Very high87.8Confident0 Ų035.3 Ų35.30%018%0.178CC..Hα-helixtrans-62.4-47.2177.3-1720000111.5L525 V528 M529 R566 L567 L568 G572 R573 I574L525-C570 HydrophobicContact CD2-CB 3.86Å; V528-C570 WeakPolarHBondContact CG1-SG 3.23Å; M529-C570 HydrophobicContact CG-CB 4.07Å; M529-C570 WeakPolarHBondContact SD-CA 3.34Å; M529-C570 HydrophobicContact SD-CB 3.86Å; R566-C570 WeakPolarHBondContact O-CB 3.4Å; R566-C570 PolarHBondContact O-N 3.16Å; L567-C570 PolarHBondContact O-N 2.7Å; L568-C570 VanDerWaalsContact C-N 3.35Å; L568-C570 PolarHBondContact O-N 3.32Å; C570-G572 PolarHBondContact O-N 2.94Å; C570-R573 WeakPolarHBondContact O-CB 3.36Å; C570-R573 PolarHBondContact O-N 3.12Å; C570-R573 VanDerWaalsContact O-N 3.13Å; C570-I574 WeakPolarHBondContact O-CG1 3.3Å; C570-I574 PolarHBondContact O-N 2.91Å
571Y91Very high87.3Confident18 Ų1836.1 Ų36.17%0.07119%0.185CC..Hα-helixtrans-59.6-46177.7-174.5-115.2000112.1E547 L550 A551 L554 L567 L568 R573 I574 L575 A590E547-Y571 HydrophobicContact CG-CE2 3.92Å; L550-Y571 HydrophobicContact CB-CD2 3.81Å; A551-Y571 HydrophobicContact CB-CE2 4.02Å; L554-Y571 HydrophobicContact CD1-CD1 3.33Å; L554-Y571 HydrophobicContact CD1-CD2 4.16Å; L554-Y571 HydrophobicContact CD1-CE1 3.75Å; L554-Y571 HydrophobicContact CD1-CG 3.56Å; L567-Y571 WeakPolarHBondContact O-CB 3.42Å; L567-Y571 PolarHBondContact O-N 3.15Å; L568-Y571 PolarHBondContact O-N 2.91Å; Y571-R573 VanDerWaalsContact C-N 3.31Å; Y571-R573 PolarHBondContact O-N 2.93Å; Y571-I574 WeakPolarHBondContact O-CB 3.48Å; Y571-I574 PolarHBondContact O-N 3.19Å; Y571-I574 VanDerWaalsContact O-N 3.15Å; Y571-L575 HydrophobicContact CD1-CD1 3.89Å; Y571-L575 HydrophobicContact CD1-CG 4.37Å; Y571-L575 HydrophobicContact CE1-CD1 3.45Å; Y571-L575 VanDerWaalsContact CE1-CD1 3.45Å; Y571-L575 HydrophobicContact CE1-CD2 4.5Å; Y571-L575 HydrophobicContact CE1-CG 4.07Å; Y571-L575 HydrophobicContact CE2-CD2 4.4Å; Y571-L575 HydrophobicContact CE2-CG 4.41Å; Y571-L575 WeakPolarHBondContact O-CG 3.47Å; Y571-L575 PolarHBondContact O-N 3.41Å; Y571-A590 HydrophobicContact CD1-CB 4.32Å; Y571-A590 HydrophobicContact CE1-CB 4.03Å
572G87.4Confident87.2Confident0 Ų036.6 Ų36.60%019%0.185CC..Hα-helixtrans-64-35.2176.300000112.8L568 T569 C570 L575 S576L568-G572 PolarHBondContact O-N 3.44Å; T569-G572 PolarHBondContact O-N 3.3Å; C570-G572 PolarHBondContact O-N 2.94Å; G572-L575 PolarHBondContact O-N 2.85Å; G572-S576 PolarHBondContact O-N 3.15Å; G572-S576 VanDerWaalsContact O-N 3.08Å
573R86.8Confident87Confident42 Ų4233.1 Ų33.116%0.15817%0.168CC..Hα-helixtrans-62.6-42.5171.3-173.7174.6-170.9144.320.6111.9M529 T532 E533 T569 C570 Y571 S576 F577M529-R573 VanDerWaalsContact O-CZ 3.3Å; M529-R573 PolarHBondContact O-NH1 3.23Å; M529-R573 HydrophobicContact SD-CB 4.07Å; M529-R573 VanDerWaalsContact SD-CD 3.57Å; M529-R573 HydrophobicContact SD-CG 4.43Å; T532-R573 VanDerWaalsContact C-CZ 3.48Å; T532-R573 VanDerWaalsContact C-NE 3.29Å; T532-R573 PolarHBondContact O-NE 2.98Å; T532-R573 PolarHBondContact O-NH2 3.28Å; T532-R573 WeakPolarHBondContact OG1-CD 3.32Å; T532-R573 PolarHBondContact OG1-NE 3.35Å; E533-R573 VanDerWaalsContact N-CZ 3.29Å; E533-R573 PolarHBondContact O-NH2 3.1Å; T569-R573 PolarHBondContact O-N 3.24Å; C570-R573 WeakPolarHBondContact O-CB 3.36Å; C570-R573 PolarHBondContact O-N 3.12Å; C570-R573 VanDerWaalsContact O-N 3.13Å; Y571-R573 VanDerWaalsContact C-N 3.31Å; Y571-R573 PolarHBondContact O-N 2.93Å; R573-S576 WeakPolarHBondContact O-CB 3.47Å; R573-S576 PolarHBondContact O-N 2.94Å; R573-S576 VanDerWaalsContact O-N 3.14Å; R573-S576 PolarHBondContact O-OG 3.02Å; R573-F577 WeakPolarHBondContact O-CD2 3.5Å
574I89.7Confident86.6Confident3 Ų332.6 Ų32.62%0.01517%0.165CC..Hα-helixtrans-61.7-44.1175.1-65.8-44.1000111.1V528 T532 A543 V546 E547 L550 C570 Y571 S576 F577V528-I574 HydrophobicContact CG1-CD1 3.81Å; V528-I574 HydrophobicContact CG1-CG1 4.42Å; T532-I574 HydrophobicContact CG2-CD1 3.73Å; A543-I574 HydrophobicContact CB-CD1 3.87Å; A543-I574 HydrophobicContact CB-CG2 4.15Å; A543-I574 VanDerWaalsContact O-CG2 3.3Å; A543-I574 WeakPolarHBondContact O-CG2 3.28Å; V546-I574 HydrophobicContact CG2-CD1 3.87Å; V546-I574 HydrophobicContact CG2-CG1 3.99Å; E547-I574 HydrophobicContact CB-CG2 3.76Å; E547-I574 HydrophobicContact CG-CG2 4.06Å; L550-I574 HydrophobicContact CD1-CB 4.46Å; L550-I574 HydrophobicContact CD1-CG1 3.63Å; C570-I574 WeakPolarHBondContact O-CG1 3.3Å; C570-I574 PolarHBondContact O-N 2.91Å; Y571-I574 WeakPolarHBondContact O-CB 3.48Å; Y571-I574 PolarHBondContact O-N 3.19Å; Y571-I574 VanDerWaalsContact O-N 3.15Å; I574-S576 PolarHBondContact O-N 3.5Å; I574-F577 WeakPolarHBondContact O-CB 3.32Å; I574-F577 PolarHBondContact O-N 2.88Å; I574-F577 VanDerWaalsContact O-N 3.15Å
575L87.6Confident86.3Confident4 Ų435.4 Ų35.42%0.02119%0.185CC..Hα-helixtrans-63.1-24.2176.3-67.7-178.7000112.8Y571 G572 F577 K578 A586 L587Y571-L575 HydrophobicContact CD1-CD1 3.89Å; Y571-L575 HydrophobicContact CD1-CG 4.37Å; Y571-L575 HydrophobicContact CE1-CD1 3.45Å; Y571-L575 VanDerWaalsContact CE1-CD1 3.45Å; Y571-L575 HydrophobicContact CE1-CD2 4.5Å; Y571-L575 HydrophobicContact CE1-CG 4.07Å; Y571-L575 HydrophobicContact CE2-CD2 4.4Å; Y571-L575 HydrophobicContact CE2-CG 4.41Å; Y571-L575 WeakPolarHBondContact O-CG 3.47Å; Y571-L575 PolarHBondContact O-N 3.41Å; G572-L575 PolarHBondContact O-N 2.85Å; L575-F577 PolarHBondContact O-N 2.89Å; L575-K578 HydrophobicContact CD2-CD 4.36Å; L575-K578 WeakPolarHBondContact O-CB 3.48Å; L575-K578 PolarHBondContact O-N 2.84Å; L575-A586 HydrophobicContact CD1-CB 4.03Å; L575-A586 HydrophobicContact CD2-CB 3.93Å; L575-L587 HydrophobicContact CD1-CB 3.79Å; L575-L587 HydrophobicContact CD1-CD1 4.04Å
576S83.4Confident86.1Confident15 Ų1535.5 Ų35.511%0.10519%0.189CC..THydrogen-bonded Turntrans-65.4-12.9175.890.50000114.8K535 G572 R573 I574 C630K535-S576 PolarHBondContact NZ-OG 2.72Å; G572-S576 PolarHBondContact O-N 3.15Å; G572-S576 VanDerWaalsContact O-N 3.08Å; R573-S576 WeakPolarHBondContact O-CB 3.47Å; R573-S576 PolarHBondContact O-N 2.94Å; R573-S576 VanDerWaalsContact O-N 3.14Å; R573-S576 PolarHBondContact O-OG 3.02Å; I574-S576 PolarHBondContact O-N 3.5Å; S576-C630 WeakPolarHBondContact CA-SG 3.01Å; S576-C630 WeakPolarHBondContact CB-SG 3.35Å
577F84.4Confident85.9Confident41 Ų4130.7 Ų30.718%0.1817%0.171CC..THydrogen-bonded Turntrans-83.3-16.4172.9-73.7-95.9000112.9T532 K535 T539 A543 R573 I574 L575T532-F577 HydrophobicContact CG2-CE2 4.2Å; T532-F577 HydrophobicContact CG2-CZ 4.32Å; K535-F577 HydrophobicContact CB-CE1 4.37Å; K535-F577 HydrophobicContact CG-CE1 4.37Å; K535-F577 HydrophobicContact CG-CZ 4.28Å; T539-F577 WeakPolarHBondContact OG1-CE1 3.26Å; A543-F577 HydrophobicContact CB-CB 4.3Å; A543-F577 HydrophobicContact CB-CD1 4.44Å; A543-F577 HydrophobicContact CB-CD2 3.84Å; A543-F577 HydrophobicContact CB-CE2 4.29Å; A543-F577 HydrophobicContact CB-CG 3.93Å; R573-F577 WeakPolarHBondContact O-CD2 3.5Å; I574-F577 WeakPolarHBondContact O-CB 3.32Å; I574-F577 PolarHBondContact O-N 2.88Å; I574-F577 VanDerWaalsContact O-N 3.15Å; L575-F577 PolarHBondContact O-N 2.89Å
578K84.3Confident85.6Confident74 Ų7431.1 Ų31.132%0.32218%0.175SC..SBendtrans-86.7159.7178.8-66.6-170.6170.4-178.10111.3E547 L575 V582E547-K578 IonicContact OE1-NZ 3.31Å; E547-K578 PolarHBondContact OE1-NZ 2.98Å; E547-K578 WeakPolarHBondContact OE2-CE 3.3Å; E547-K578 IonicContact OE2-NZ 3.8Å; E547-K578 PolarHBondContact OE2-NZ 3.24Å; L575-K578 HydrophobicContact CD2-CD 4.36Å; L575-K578 WeakPolarHBondContact O-CB 3.48Å; L575-K578 PolarHBondContact O-N 2.84Å; K578-V582 HydrophobicContact CD-CG1 4.06Å
579E81.7Confident85.4Confident128 Ų12838.8 Ų38.860%0.59821%0.209SC*.  trans-57.7138.9166.3-68.4-173.7-179.600110.1S581 V582 G583E579-S581 WeakPolarHBondContact CB-OG 3.39Å; E579-S581 PolarHBondContact O-N 2.96Å; E579-S581 PolarHBondContact OE2-OG 3.42Å; E579-V582 PolarHBondContact O-N 3.15Å; E579-G583 PolarHBondContact O-N 3.31Å
580P79.3Confident85.3Confident26 Ų2638.2 Ų38.217%0.16921%0.207CC..Hα-helixtrans-59.9-23.3-177.47.7-15.6000113.7V582 L584 H636P580-V582 PolarHBondContact O-N 2.94Å; P580-L584 HydrophobicContact CB-CD1 3.57Å; P580-L584 HydrophobicContact CB-CG 4Å; P580-L584 VanDerWaalsContact O-CB 3.25Å; P580-L584 WeakPolarHBondContact O-CB 3.2Å; P580-L584 WeakPolarHBondContact O-CD1 3.12Å; P580-L584 VanDerWaalsContact O-CG 3.28Å; P580-L584 WeakPolarHBondContact O-CG 3.3Å; P580-L584 PolarHBondContact O-N 2.89Å; P580-L584 VanDerWaalsContact O-N 3.17Å; P580-H636 HydrophobicContact CG-CB 3.54Å
581S79.6Confident85Confident75 Ų7538.2 Ų38.252%0.52421%0.207SC..Hα-helixtrans-60.3-26.2171.754.10000113.8E579 P585E579-S581 WeakPolarHBondContact CB-OG 3.39Å; E579-S581 PolarHBondContact O-N 2.96Å; E579-S581 PolarHBondContact OE2-OG 3.42Å; S581-P585 WeakPolarHBondContact O-CD 3.36Å; S581-P585 WeakPolarHBondContact O-CG 3.15Å
582V84.6Confident84.9Confident79 Ų7939.6 Ų39.648%0.47922%0.219SC..Hα-helixtrans-110-42.9-179.4-177.60000111.1K578 E579 P580 P585 A586K578-V582 HydrophobicContact CD-CG1 4.06Å; E579-V582 PolarHBondContact O-N 3.15Å; P580-V582 PolarHBondContact O-N 2.94Å; V582-P585 WeakPolarHBondContact O-CD 3.35Å; V582-A586 PolarHBondContact O-N 3.45Å
583G84.2Confident84.9Confident5 Ų542 Ų425%0.05224%0.235CC..Hα-helixtrans-66-43.9-177.500000113.1E579 A586 L587E579-G583 PolarHBondContact O-N 3.31Å; G583-A586 PolarHBondContact O-N 3.33Å; G583-L587 WeakPolarHBondContact O-CB 3.46Å; G583-L587 PolarHBondContact O-N 3.39Å
584L83.1Confident85.1Confident7 Ų740.1 Ų40.14%0.03723%0.228CC..Hα-helixtrans-68.6-42.8-176.9-60.1169.3000112.7P580 A586 L587 G588 L627 A640 W643P580-L584 HydrophobicContact CB-CD1 3.57Å; P580-L584 HydrophobicContact CB-CG 4Å; P580-L584 VanDerWaalsContact O-CB 3.25Å; P580-L584 WeakPolarHBondContact O-CB 3.2Å; P580-L584 WeakPolarHBondContact O-CD1 3.12Å; P580-L584 VanDerWaalsContact O-CG 3.28Å; P580-L584 WeakPolarHBondContact O-CG 3.3Å; P580-L584 PolarHBondContact O-N 2.89Å; P580-L584 VanDerWaalsContact O-N 3.17Å; L584-A586 PolarHBondContact O-N 3.31Å; L584-L587 WeakPolarHBondContact O-CB 3.34Å; L584-L587 PolarHBondContact O-N 3.21Å; L584-G588 PolarHBondContact O-N 2.95Å; L584-L627 HydrophobicContact CD2-CD2 3.56Å; L584-A640 HydrophobicContact CD1-CB 4.08Å; L584-W643 HydrophobicContact CB-CD2 3.72Å; L584-W643 HydrophobicContact CB-CE3 4.1Å; L584-W643 HydrophobicContact CB-CG 4.02Å; L584-W643 HydrophobicContact CB-CZ2 4.29Å; L584-W643 HydrophobicContact CD1-CB 3.88Å; L584-W643 HydrophobicContact CD1-CD2 4.24Å; L584-W643 HydrophobicContact CD1-CE3 4.49Å; L584-W643 HydrophobicContact CD1-CG 3.96Å; L584-W643 HydrophobicContact CD2-CD2 4.28Å; L584-W643 HydrophobicContact CD2-CE3 3.85Å; L584-W643 HydrophobicContact CD2-CZ3 4.23Å; L584-W643 HydrophobicContact CG-CD2 4.3Å; L584-W643 HydrophobicContact CG-CE3 4.37Å; L584-W643 HydrophobicContact CG-CG 4.49Å; L584-W643 WeakPolarHBondContact O-CZ2 3.39Å
585P85Confident85Confident71 Ų7140.8 Ų40.846%0.46123%0.231SC..Hα-helixtrans-60.6-40.2172.3-27.436.7000113.9S581 V582 L587 G588 K589S581-P585 WeakPolarHBondContact O-CD 3.36Å; S581-P585 WeakPolarHBondContact O-CG 3.15Å; V582-P585 WeakPolarHBondContact O-CD 3.35Å; P585-L587 VanDerWaalsContact C-N 3.32Å; P585-L587 PolarHBondContact O-N 2.99Å; P585-G588 PolarHBondContact O-N 3.26Å; P585-K589 PolarHBondContact O-N 3.47Å
586A86.8Confident85.1Confident25 Ų2546.4 Ų46.421%0.20726%0.257CS..Hα-helixtrans-63.6-41177.100000111.6L575 V582 G583 L584 K589 A590L575-A586 HydrophobicContact CD1-CB 4.03Å; L575-A586 HydrophobicContact CD2-CB 3.93Å; V582-A586 PolarHBondContact O-N 3.45Å; G583-A586 PolarHBondContact O-N 3.33Å; L584-A586 PolarHBondContact O-N 3.31Å; A586-K589 WeakPolarHBondContact O-CB 3.38Å; A586-K589 PolarHBondContact O-N 3.05Å; A586-A590 PolarHBondContact O-N 3.44Å; A586-A590 VanDerWaalsContact O-N 3.1Å
587L84.7Confident85.4Confident3 Ų350.5 Ų50.52%0.01627%0.27CS..Hα-helixtrans-64-45.7173.9-17382.3000112L575 G583 L584 P585 K589 A590 L591 L627 W643L575-L587 HydrophobicContact CD1-CB 3.79Å; L575-L587 HydrophobicContact CD1-CD1 4.04Å; G583-L587 WeakPolarHBondContact O-CB 3.46Å; G583-L587 PolarHBondContact O-N 3.39Å; L584-L587 WeakPolarHBondContact O-CB 3.34Å; L584-L587 PolarHBondContact O-N 3.21Å; P585-L587 VanDerWaalsContact C-N 3.32Å; P585-L587 PolarHBondContact O-N 2.99Å; L587-K589 PolarHBondContact O-N 3.11Å; L587-A590 WeakPolarHBondContact O-CB 3.39Å; L587-A590 PolarHBondContact O-N 3.5Å; L587-L591 HydrophobicContact CD2-CD1 4.08Å; L587-L591 HydrophobicContact CG-CD1 3.94Å; L587-L591 WeakPolarHBondContact O-CB 3.32Å; L587-L591 PolarHBondContact O-N 2.73Å; L587-L627 HydrophobicContact CD2-CD1 3.47Å; L587-L627 VanDerWaalsContact CD2-CD1 3.47Å; L587-L627 HydrophobicContact CD2-CD2 3.31Å; L587-L627 HydrophobicContact CD2-CG 3.17Å; L587-W643 HydrophobicContact CD2-CH2 4.25Å; L587-W643 HydrophobicContact CD2-CZ3 4.2Å
588G84.4Confident85.7Confident9 Ų948.6 Ų48.69%0.09326%0.262CS..Hα-helixtrans-55.8-40.8175.200000111.7L584 P585 A590 L591 S592L584-G588 PolarHBondContact O-N 2.95Å; P585-G588 PolarHBondContact O-N 3.26Å; G588-A590 PolarHBondContact O-N 2.94Å; G588-L591 PolarHBondContact O-N 2.91Å; G588-S592 WeakPolarHBondContact O-CB 3.35Å; G588-S592 PolarHBondContact O-N 3.1Å; G588-S592 PolarHBondContact O-OG 2.9Å
589K87.1Confident86.1Confident161 Ų16148 Ų4870%0.726%0.261SS*.Hα-helixtrans-62.9-39.7174.4-169.9-175.5177.4-167.60112.6P585 A586 L587 L591 P593P585-K589 PolarHBondContact O-N 3.47Å; A586-K589 WeakPolarHBondContact O-CB 3.38Å; A586-K589 PolarHBondContact O-N 3.05Å; L587-K589 PolarHBondContact O-N 3.11Å; K589-L591 VanDerWaalsContact C-N 3.33Å; K589-P593 VanDerWaalsContact O-CD 3.29Å; K589-P593 WeakPolarHBondContact O-CD 3.31Å
590A85.9Confident86.6Confident17 Ų1742.4 Ų42.414%0.1424%0.236CC..Hα-helixtrans-69.1-31.1175.600000112.6L554 Y571 A586 L587 G588 H594L554-A590 HydrophobicContact CD1-CB 4.27Å; Y571-A590 HydrophobicContact CD1-CB 4.32Å; Y571-A590 HydrophobicContact CE1-CB 4.03Å; A586-A590 PolarHBondContact O-N 3.44Å; A586-A590 VanDerWaalsContact O-N 3.1Å; L587-A590 WeakPolarHBondContact O-CB 3.39Å; L587-A590 PolarHBondContact O-N 3.5Å; G588-A590 PolarHBondContact O-N 2.94Å; A590-H594 PolarHBondContact O-CD2 3.2Å
591L84.5Confident87.1Confident0 Ų041.8 Ų41.80%023%0.232CC..Hα-helixtrans-82.2-32-180-84.5166.3000114.3L587 G588 K589 P593 H594 M595 V620 Q623 L627 F647L587-L591 HydrophobicContact CD2-CD1 4.08Å; L587-L591 HydrophobicContact CG-CD1 3.94Å; L587-L591 WeakPolarHBondContact O-CB 3.32Å; L587-L591 PolarHBondContact O-N 2.73Å; G588-L591 PolarHBondContact O-N 2.91Å; K589-L591 VanDerWaalsContact C-N 3.33Å; L591-P593 VanDerWaalsContact C-CD 3.49Å; L591-H594 WeakPolarHBondContact O-CB 3.48Å; L591-H594 PolarHBondContact O-N 2.56Å; L591-M595 PolarHBondContact O-N 3.38Å; L591-M595 VanDerWaalsContact O-N 3.17Å; L591-V620 HydrophobicContact CD2-CG2 4.43Å; L591-Q623 HydrophobicContact CD1-CB 4.05Å; L591-Q623 HydrophobicContact CD2-CB 3.47Å; L591-Q623 VanDerWaalsContact CD2-CB 3.47Å; L591-Q623 HydrophobicContact CD2-CG 3.67Å; L591-Q623 HydrophobicContact CG-CB 3.95Å; L591-Q623 HydrophobicContact CG-CG 4.04Å; L591-L627 HydrophobicContact CD1-CD1 4.49Å; L591-F647 HydrophobicContact CB-CE2 3.93Å; L591-F647 HydrophobicContact CB-CZ 3.7Å; L591-F647 HydrophobicContact CD1-CE1 3.86Å; L591-F647 HydrophobicContact CD1-CE2 4.03Å; L591-F647 HydrophobicContact CD1-CZ 3.5Å; L591-F647 HydrophobicContact CD2-CZ 4.17Å; L591-F647 HydrophobicContact CG-CZ 4Å
592S87.5Confident87.6Confident46 Ų4639.5 Ų39.532%0.32222%0.216SC..Hα-helixtrans-53.7-45.4-172.7-61.20000113.3G588 H594 M595 E596G588-S592 WeakPolarHBondContact O-CB 3.35Å; G588-S592 PolarHBondContact O-N 3.1Å; G588-S592 PolarHBondContact O-OG 2.9Å; S592-H594 PolarHBondContact O-N 3.36Å; S592-M595 PolarHBondContact O-N 3.03Å; S592-E596 WeakPolarHBondContact O-CB 3.48Å; S592-E596 VanDerWaalsContact O-CG 3.3Å; S592-E596 WeakPolarHBondContact O-CG 3.24Å; S592-E596 PolarHBondContact O-N 3.38Å
593P88.8Confident87.8Confident52 Ų5242.4 Ų42.434%0.33822%0.222SC..Hα-helixtrans-61.7-29.4179.3-23.634.7000114K589 L591 R597K589-P593 VanDerWaalsContact O-CD 3.29Å; K589-P593 WeakPolarHBondContact O-CD 3.31Å; L591-P593 VanDerWaalsContact C-CD 3.49Å; P593-R597 VanDerWaalsContact O-CG 3.3Å; P593-R597 WeakPolarHBondContact O-CG 3.38Å; P593-R597 PolarHBondContact O-N 3.03Å
594H89.8Confident87.8Confident1 Ų145.2 Ų45.21%0.00525%0.251CS..Hα-helixtrans-76.2-42.2178.6-60.6-66000110.7Y564 A590 L591 S592 R597 L598 E616 V620Y564-H594 AromaticContact CE1-CE1 3.59Å; Y564-H594 AromaticContact CE1-NE2 3.74Å; Y564-H594 AromaticContact CZ-CE1 3.88Å; Y564-H594 AromaticContact CZ-NE2 3.86Å; Y564-H594 PolarHBondContact OH-CE1 3.4Å; Y564-H594 PolarHBondContact OH-NE2 2.87Å; Y564-H594 VanDerWaalsContact OH-NE2 3.07Å; A590-H594 PolarHBondContact O-CD2 3.2Å; L591-H594 WeakPolarHBondContact O-CB 3.48Å; L591-H594 PolarHBondContact O-N 2.56Å; S592-H594 PolarHBondContact O-N 3.36Å; H594-R597 PolarHBondContact O-N 3.4Å; H594-L598 WeakPolarHBondContact O-CG 3.5Å; H594-L598 PolarHBondContact O-N 3.02Å; H594-L598 VanDerWaalsContact O-N 3.16Å; H594-E616 WeakPolarHBondContact CA-OE2 3.47Å; H594-E616 WeakPolarHBondContact CB-OE2 3.3Å; H594-E616 IonicContact CE1-OE2 3.92Å; H594-E616 IonicContact CG-OE2 2.7Å; H594-E616 IonicContact ND1-OE2 3.39Å; H594-E616 PolarHBondContact ND1-OE2 3.25Å; H594-V620 HydrophobicContact CB-CG2 4.34Å
595M88.2Confident88Confident18 Ų1851.2 Ų51.29%0.08928%0.279CS..Hα-helixtrans-64.9-44.1173.8-68.9-170.475.800112.6L591 S592 R597 L598 Q599 F647 P650 L651L591-M595 PolarHBondContact O-N 3.38Å; L591-M595 VanDerWaalsContact O-N 3.17Å; S592-M595 PolarHBondContact O-N 3.03Å; M595-R597 VanDerWaalsContact C-N 3.26Å; M595-R597 PolarHBondContact O-N 3.28Å; M595-L598 PolarHBondContact O-N 3.41Å; M595-Q599 WeakPolarHBondContact O-CB 3.42Å; M595-Q599 VanDerWaalsContact O-CG 3.31Å; M595-Q599 WeakPolarHBondContact O-CG 3.29Å; M595-Q599 PolarHBondContact O-N 3.33Å; M595-F647 HydrophobicContact CE-CZ 4.43Å; M595-F647 HydrophobicContact CG-CE2 4.46Å; M595-F647 HydrophobicContact CG-CZ 4.05Å; M595-F647 HydrophobicContact SD-CD2 4.08Å; M595-F647 HydrophobicContact SD-CE1 4.04Å; M595-F647 HydrophobicContact SD-CE2 3.19Å; M595-F647 WeakPolarHBondContact SD-CE2 3.36Å; M595-F647 HydrophobicContact SD-CZ 3.15Å; M595-F647 WeakPolarHBondContact SD-CZ 3.32Å; M595-P650 HydrophobicContact CE-CB 4.48Å; M595-L651 HydrophobicContact CE-CB 4.16Å
596E90.4Very high87.9Confident122 Ų12251.8 Ų51.857%0.5728%0.278SS*.Hα-helixtrans-59.3-38.5178.9-75.3170.2-174.200111.5S592 Q599 A600S592-E596 WeakPolarHBondContact O-CB 3.48Å; S592-E596 VanDerWaalsContact O-CG 3.3Å; S592-E596 WeakPolarHBondContact O-CG 3.24Å; S592-E596 PolarHBondContact O-N 3.38Å; E596-Q599 PolarHBondContact O-N 3.31Å; E596-A600 VanDerWaalsContact O-CB 3.29Å; E596-A600 WeakPolarHBondContact O-CB 3.39Å; E596-A600 PolarHBondContact O-N 3.46Å
597R89.4Confident87.9Confident100 Ų10055.3 Ų55.338%0.37730%0.301SS..Hα-helixtrans-66.6-46.5174.9-76.8175.7173.6-133.8-5.4112.5P593 H594 M595 Q599 A600 V601 L606 E616P593-R597 VanDerWaalsContact O-CG 3.3Å; P593-R597 WeakPolarHBondContact O-CG 3.38Å; P593-R597 PolarHBondContact O-N 3.03Å; H594-R597 PolarHBondContact O-N 3.4Å; M595-R597 VanDerWaalsContact C-N 3.26Å; M595-R597 PolarHBondContact O-N 3.28Å; R597-Q599 VanDerWaalsContact C-N 3.26Å; R597-Q599 PolarHBondContact O-N 3.06Å; R597-A600 PolarHBondContact O-N 3.1Å; R597-V601 WeakPolarHBondContact O-CG2 3.48Å; R597-V601 PolarHBondContact O-N 3.39Å; R597-L606 HydrophobicContact CB-CD1 4.5Å; R597-L606 HydrophobicContact CG-CD1 4.32Å; R597-E616 WeakPolarHBondContact CD-OE1 3.23Å; R597-E616 IonicContact CZ-OE1 3.97Å; R597-E616 IonicContact NE-OE1 2.9Å; R597-E616 IonicContact NH1-OE1 3.28Å; R597-E616 PolarHBondContact NH1-OE1 3.4Å
598L91.5Very high88Confident2 Ų258.7 Ų58.71%0.0132%0.315CS..Hα-helixtrans-58.6-41.5174.8-69.5174.4000110.9H594 M595 V601 C602 V613 E616 I617 V620 L658H594-L598 WeakPolarHBondContact O-CG 3.5Å; H594-L598 PolarHBondContact O-N 3.02Å; H594-L598 VanDerWaalsContact O-N 3.16Å; M595-L598 PolarHBondContact O-N 3.41Å; L598-V601 PolarHBondContact O-N 3.27Å; L598-C602 PolarHBondContact O-N 2.95Å; L598-C602 VanDerWaalsContact O-N 3.09Å; L598-C602 PolarHBondContact O-SG 3.45Å; L598-V613 HydrophobicContact CD2-CG1 4.25Å; L598-E616 HydrophobicContact CD2-CB 3.83Å; L598-E616 HydrophobicContact CG-CB 4.04Å; L598-I617 HydrophobicContact CD1-CG1 4.45Å; L598-I617 HydrophobicContact CD2-CG1 4.22Å; L598-V620 HydrophobicContact CD1-CG2 4.36Å; L598-L658 HydrophobicContact CB-CD1 4.39Å; L598-L658 HydrophobicContact CB-CD2 4.29Å; L598-L658 HydrophobicContact CD2-CD1 4.23Å; L598-L658 HydrophobicContact CD2-CD2 3.95Å
599Q92Very high88.2Confident61 Ų6160.3 Ų60.329%0.28533%0.325SS..Hα-helixtrans-64-44.2174.7-72-179.34.200112.9M595 E596 R597 V601 C602 K603 L654M595-Q599 WeakPolarHBondContact O-CB 3.42Å; M595-Q599 VanDerWaalsContact O-CG 3.31Å; M595-Q599 WeakPolarHBondContact O-CG 3.29Å; M595-Q599 PolarHBondContact O-N 3.33Å; E596-Q599 PolarHBondContact O-N 3.31Å; R597-Q599 VanDerWaalsContact C-N 3.26Å; R597-Q599 PolarHBondContact O-N 3.06Å; Q599-V601 VanDerWaalsContact C-N 3.32Å; Q599-V601 PolarHBondContact O-N 3.41Å; Q599-C602 WeakPolarHBondContact O-CB 3.27Å; Q599-C602 PolarHBondContact O-N 2.9Å; Q599-K603 WeakPolarHBondContact O-CG 3.46Å; Q599-K603 PolarHBondContact O-N 3.35Å; Q599-L654 HydrophobicContact CG-CD1 3.42Å; Q599-L654 VanDerWaalsContact CG-CD1 3.42Å; Q599-L654 HydrophobicContact CG-CD2 3.66Å; Q599-L654 HydrophobicContact CG-CG 4.18Å
600A92.1Very high88.3Confident11 Ų1155.5 Ų55.59%0.09130%0.304CS..Hα-helixtrans-64.6-37179.300000111.7E596 R597 K603 G604 E605 L606E596-A600 VanDerWaalsContact O-CB 3.29Å; E596-A600 WeakPolarHBondContact O-CB 3.39Å; E596-A600 PolarHBondContact O-N 3.46Å; R597-A600 PolarHBondContact O-N 3.1Å; A600-K603 PolarHBondContact O-N 2.88Å; A600-G604 PolarHBondContact O-N 3.5Å; A600-E605 HydrophobicContact CB-CB 4.1Å; A600-E605 PolarHBondContact O-N 3.09Å; A600-L606 HydrophobicContact CB-CB 4.45Å; A600-L606 HydrophobicContact CB-CD1 3.73Å; A600-L606 HydrophobicContact CB-CG 3.89Å; A600-L606 PolarHBondContact O-N 3.1Å
601V90.6Very high88.4Confident12 Ų1258.1 Ų58.17%0.07333%0.326CS..Hα-helixtrans-61.6-46.9170.7172.60000110.6R597 L598 Q599 K603 G604 L606 F608 V613 V661R597-V601 WeakPolarHBondContact O-CG2 3.48Å; R597-V601 PolarHBondContact O-N 3.39Å; L598-V601 PolarHBondContact O-N 3.27Å; Q599-V601 VanDerWaalsContact C-N 3.32Å; Q599-V601 PolarHBondContact O-N 3.41Å; V601-K603 VanDerWaalsContact C-N 3.28Å; V601-K603 PolarHBondContact O-N 2.87Å; V601-G604 PolarHBondContact O-N 3.11Å; V601-G604 VanDerWaalsContact O-N 3.1Å; V601-L606 HydrophobicContact CG2-CB 3.93Å; V601-F608 HydrophobicContact CG1-CB 4.41Å; V601-F608 HydrophobicContact CG1-CD2 4.05Å; V601-V613 HydrophobicContact CG1-CG2 4.07Å; V601-V613 HydrophobicContact CG2-CG2 4.44Å; V601-V661 HydrophobicContact CG1-CG1 4.14Å
602C89Confident88.6Confident28 Ų2863.2 Ų63.219%0.18935%0.349CS..Hα-helixtrans-61.6-34.1177.3-67.40000113.8L598 Q599 G604 P657 L658L598-C602 PolarHBondContact O-N 2.95Å; L598-C602 VanDerWaalsContact O-N 3.09Å; L598-C602 PolarHBondContact O-SG 3.45Å; Q599-C602 WeakPolarHBondContact O-CB 3.27Å; Q599-C602 PolarHBondContact O-N 2.9Å; C602-G604 VanDerWaalsContact C-N 3.28Å; C602-P657 HydrophobicContact CB-CB 3.92Å; C602-L658 WeakPolarHBondContact SG-CD2 3.49Å; C602-L658 WeakPolarHBondContact SG-CG 3.4Å
603K89Confident88.8Confident140 Ų14061.1 Ų61.161%0.60934%0.335SS*.THydrogen-bonded Turntrans-80.5-6.9178-69.7174.5-176172.90113.4Q599 A600 V601 E605Q599-K603 WeakPolarHBondContact O-CG 3.46Å; Q599-K603 PolarHBondContact O-N 3.35Å; A600-K603 PolarHBondContact O-N 2.88Å; V601-K603 VanDerWaalsContact C-N 3.28Å; V601-K603 PolarHBondContact O-N 2.87Å; K603-E605 VanDerWaalsContact C-N 3.26Å; K603-E605 HydrophobicContact CB-CG 3.96Å; K603-E605 WeakPolarHBondContact CD-OE1 3.26Å; K603-E605 PolarHBondContact O-N 2.98Å
604G84.4Confident89Confident64 Ų6460.1 Ų60.166%0.6633%0.326SS*.THydrogen-bonded Turntrans7315.5-173.900000114.1A600 V601 C602A600-G604 PolarHBondContact O-N 3.5Å; V601-G604 PolarHBondContact O-N 3.11Å; V601-G604 VanDerWaalsContact O-N 3.1Å; C602-G604 VanDerWaalsContact C-N 3.28Å
605E86.8Confident89.1Confident133 Ų13362 Ų6262%0.62134%0.335SS*.SBendtrans-76.9-27.7175.3-65.4170.1-177.800111.4A600 K603A600-E605 HydrophobicContact CB-CB 4.1Å; A600-E605 PolarHBondContact O-N 3.09Å; K603-E605 VanDerWaalsContact C-N 3.26Å; K603-E605 HydrophobicContact CB-CG 3.96Å; K603-E605 WeakPolarHBondContact CD-OE1 3.26Å; K603-E605 PolarHBondContact O-N 2.98Å
606L83.9Confident89.3Confident83 Ų8361.5 Ų61.544%0.43533%0.332SS..SBendtrans-118141.6171.6-69.5174.5000110.1R597 A600 V601R597-L606 HydrophobicContact CB-CD1 4.5Å; R597-L606 HydrophobicContact CG-CD1 4.32Å; A600-L606 HydrophobicContact CB-CB 4.45Å; A600-L606 HydrophobicContact CB-CD1 3.73Å; A600-L606 HydrophobicContact CB-CG 3.89Å; A600-L606 PolarHBondContact O-N 3.1Å; V601-L606 HydrophobicContact CG2-CB 3.93Å
607S85.5Confident89.4Confident99 Ų9955.8 Ų55.869%0.69231%0.305SS*.  trans-65.1135.7173.854.30000110.6S609S607-S609 PolarHBondContact O-N 3Å
608F87.1Confident89.5Confident74 Ų7453.7 Ų53.733%0.32530%0.302SS..  trans-65.2119.9174.1176.9-92.8000110.8V601 K610 V613 V661 V668V601-F608 HydrophobicContact CG1-CB 4.41Å; V601-F608 HydrophobicContact CG1-CD2 4.05Å; F608-K610 HydrophobicContact CE1-CB 4.02Å; F608-K610 HydrophobicContact CZ-CB 4.16Å; F608-V613 HydrophobicContact CD2-CG2 3.79Å; F608-V613 HydrophobicContact CE2-CB 4.17Å; F608-V613 HydrophobicContact CE2-CG1 4.37Å; F608-V613 HydrophobicContact CE2-CG2 3.74Å; F608-V661 HydrophobicContact CB-CG1 4.01Å; F608-V661 HydrophobicContact CD2-CG1 3.88Å; F608-V661 HydrophobicContact CG-CG1 4.21Å; F608-V668 HydrophobicContact CZ-CG2 4.45Å
609S89.4Confident89.6Confident42 Ų4253.6 Ų53.629%0.29430%0.301SS..  trans-120.8119.4164.6172.10000108.3S607 A611 E612 V613S607-S609 PolarHBondContact O-N 3Å; S609-A611 VanDerWaalsContact C-N 3.29Å; S609-A611 PolarHBondContact O-N 3.36Å; S609-E612 PolarHBondContact O-N 3.28Å; S609-E612 VanDerWaalsContact O-N 3.12Å; S609-V613 WeakPolarHBondContact O-CG2 3.43Å; S609-V613 PolarHBondContact O-N 2.75Å
610K88.9Confident89.5Confident61 Ų6150.7 Ų50.727%0.26529%0.288SS..Hα-helixtrans-54.3-45.7-178.3177.8173.7172.1172.60112F608 E612 V613 L614 D665 E667F608-K610 HydrophobicContact CE1-CB 4.02Å; F608-K610 HydrophobicContact CZ-CB 4.16Å; K610-E612 VanDerWaalsContact C-N 3.34Å; K610-E612 PolarHBondContact O-N 3.45Å; K610-V613 PolarHBondContact O-N 2.8Å; K610-L614 HydrophobicContact CG-CD1 3.9Å; K610-L614 HydrophobicContact CG-CG 4.38Å; K610-L614 WeakPolarHBondContact O-CB 3.43Å; K610-L614 VanDerWaalsContact O-CG 3.26Å; K610-L614 WeakPolarHBondContact O-CG 3.32Å; K610-L614 PolarHBondContact O-N 3.09Å; K610-D665 WeakPolarHBondContact CE-OD1 3.32Å; K610-D665 IonicContact NZ-OD1 2.77Å; K610-D665 PolarHBondContact NZ-OD1 3.37Å; K610-D665 IonicContact NZ-OD2 2.77Å; K610-D665 PolarHBondContact NZ-OD2 3.23Å; K610-E667 WeakPolarHBondContact CE-OE1 3.32Å; K610-E667 WeakPolarHBondContact CE-OE2 3.47Å; K610-E667 IonicContact NZ-OE1 2.75Å; K610-E667 PolarHBondContact NZ-OE1 2.85Å; K610-E667 IonicContact NZ-OE2 3.69Å; K610-E667 PolarHBondContact NZ-OE2 2.77Å
611A88.3Confident89.4Confident72 Ų7250.5 Ų50.560%0.59529%0.285SS*.Hα-helixtrans-62.7-39.9179.900000112.4S609 F615S609-A611 VanDerWaalsContact C-N 3.29Å; S609-A611 PolarHBondContact O-N 3.36Å; A611-F615 VanDerWaalsContact O-CB 3.3Å; A611-F615 WeakPolarHBondContact O-CB 3.45Å; A611-F615 PolarHBondContact O-N 2.77Å
612E88.5Confident89.3Confident106 Ų10652 Ų5250%0.49529%0.291SS..Hα-helixtrans-69.9-45.3178-65.1-179.4162.500111.3S609 K610 L614 F615 E616S609-E612 PolarHBondContact O-N 3.28Å; S609-E612 VanDerWaalsContact O-N 3.12Å; K610-E612 VanDerWaalsContact C-N 3.34Å; K610-E612 PolarHBondContact O-N 3.45Å; E612-L614 PolarHBondContact O-N 2.99Å; E612-F615 PolarHBondContact O-N 3.34Å; E612-E616 WeakPolarHBondContact O-CB 3.15Å; E612-E616 WeakPolarHBondContact O-CG 3.28Å; E612-E616 PolarHBondContact O-N 3.21Å
613V91.2Very high89Confident3 Ų350.6 Ų50.62%0.01828%0.282CS..Hα-helixtrans-61.4-44.8178.4172.20000111.2L598 V601 F608 S609 K610 E616 I617 L658L598-V613 HydrophobicContact CD2-CG1 4.25Å; V601-V613 HydrophobicContact CG1-CG2 4.07Å; V601-V613 HydrophobicContact CG2-CG2 4.44Å; F608-V613 HydrophobicContact CD2-CG2 3.79Å; F608-V613 HydrophobicContact CE2-CB 4.17Å; F608-V613 HydrophobicContact CE2-CG1 4.37Å; F608-V613 HydrophobicContact CE2-CG2 3.74Å; S609-V613 WeakPolarHBondContact O-CG2 3.43Å; S609-V613 PolarHBondContact O-N 2.75Å; K610-V613 PolarHBondContact O-N 2.8Å; V613-E616 PolarHBondContact O-N 3.37Å; V613-I617 HydrophobicContact CG1-CD1 3.92Å; V613-I617 HydrophobicContact CG1-CG1 4.5Å; V613-I617 VanDerWaalsContact O-CG1 3.3Å; V613-I617 WeakPolarHBondContact O-CG1 3.41Å; V613-I617 PolarHBondContact O-N 3.21Å; V613-L658 HydrophobicContact CG1-CD2 4.45Å
614L93.1Very high88.7Confident30 Ų3044 Ų4416%0.15725%0.253CS..Hα-helixtrans-61.5-44.8176.5-70175.1000111.5K610 E612 E616 I617 D618 E667 V668K610-L614 HydrophobicContact CG-CD1 3.9Å; K610-L614 HydrophobicContact CG-CG 4.38Å; K610-L614 WeakPolarHBondContact O-CB 3.43Å; K610-L614 VanDerWaalsContact O-CG 3.26Å; K610-L614 WeakPolarHBondContact O-CG 3.32Å; K610-L614 PolarHBondContact O-N 3.09Å; E612-L614 PolarHBondContact O-N 2.99Å; L614-E616 PolarHBondContact O-N 2.85Å; L614-I617 PolarHBondContact O-N 3.5Å; L614-D618 WeakPolarHBondContact O-CB 3.38Å; L614-D618 PolarHBondContact O-N 3.46Å; L614-E667 HydrophobicContact CD1-CB 4.28Å; L614-E667 HydrophobicContact CD2-CB 4.49Å; L614-V668 HydrophobicContact CD2-CG2 4.28Å
615F91.6Very high88.6Confident42 Ų4246 Ų4618%0.18424%0.244CC..Hα-helixtrans-60.8-43.5176.2173-103.1000112.7Y564 L565 A611 E612 D618 C619Y564-F615 HydrophobicContact CD1-CE2 4.3Å; Y564-F615 AromaticContact CD1-CZ 3.66Å; Y564-F615 HydrophobicContact CD1-CZ 3.66Å; Y564-F615 HydrophobicContact CE1-CZ 4.21Å; Y564-F615 HydrophobicContact CG-CZ 4.26Å; L565-F615 HydrophobicContact CD2-CE2 4.35Å; L565-F615 HydrophobicContact CG-CE2 4.42Å; A611-F615 VanDerWaalsContact O-CB 3.3Å; A611-F615 WeakPolarHBondContact O-CB 3.45Å; A611-F615 PolarHBondContact O-N 2.77Å; E612-F615 PolarHBondContact O-N 3.34Å; F615-D618 PolarHBondContact O-N 3.27Å; F615-C619 VanDerWaalsContact CZ-SG 3.57Å; F615-C619 PolarHBondContact O-N 3.45Å; F615-C619 PolarHBondContact O-SG 3.25Å
616E92.5Very high88.1Confident7 Ų739.8 Ų39.83%0.03322%0.215CC..Hα-helixtrans-67.5-37.9179.1-65-69.617300111R557 H594 R597 L598 E612 V613 L614 C619 V620R557-E616 IonicContact NH1-OE1 3.09Å; R557-E616 PolarHBondContact NH1-OE1 3.36Å; R557-E616 VanDerWaalsContact NH1-OE1 3.08Å; H594-E616 WeakPolarHBondContact CA-OE2 3.47Å; H594-E616 WeakPolarHBondContact CB-OE2 3.3Å; H594-E616 IonicContact CE1-OE2 3.92Å; H594-E616 IonicContact CG-OE2 2.7Å; H594-E616 IonicContact ND1-OE2 3.39Å; H594-E616 PolarHBondContact ND1-OE2 3.25Å; R597-E616 WeakPolarHBondContact CD-OE1 3.23Å; R597-E616 IonicContact CZ-OE1 3.97Å; R597-E616 IonicContact NE-OE1 2.9Å; R597-E616 IonicContact NH1-OE1 3.28Å; R597-E616 PolarHBondContact NH1-OE1 3.4Å; L598-E616 HydrophobicContact CD2-CB 3.83Å; L598-E616 HydrophobicContact CG-CB 4.04Å; E612-E616 WeakPolarHBondContact O-CB 3.15Å; E612-E616 WeakPolarHBondContact O-CG 3.28Å; E612-E616 PolarHBondContact O-N 3.21Å; V613-E616 PolarHBondContact O-N 3.37Å; L614-E616 PolarHBondContact O-N 2.85Å; E616-C619 WeakPolarHBondContact O-CB 3.44Å; E616-C619 PolarHBondContact O-N 3.09Å; E616-V620 WeakPolarHBondContact O-CG2 3.49Å; E616-V620 PolarHBondContact O-N 2.98Å
617I92.8Very high87.6Confident1 Ų136 Ų361%0.00520%0.195CC..Hα-helixtrans-63.1-44.4171-64.9166.4000110.7L598 V613 L614 C619 V620 I621 S671 L675L598-I617 HydrophobicContact CD1-CG1 4.45Å; L598-I617 HydrophobicContact CD2-CG1 4.22Å; V613-I617 HydrophobicContact CG1-CD1 3.92Å; V613-I617 HydrophobicContact CG1-CG1 4.5Å; V613-I617 VanDerWaalsContact O-CG1 3.3Å; V613-I617 WeakPolarHBondContact O-CG1 3.41Å; V613-I617 PolarHBondContact O-N 3.21Å; L614-I617 PolarHBondContact O-N 3.5Å; I617-C619 VanDerWaalsContact C-N 3.3Å; I617-C619 PolarHBondContact O-N 2.88Å; I617-V620 WeakPolarHBondContact O-CB 3.5Å; I617-V620 PolarHBondContact O-N 2.99Å; I617-V620 VanDerWaalsContact O-N 3.1Å; I617-I621 HydrophobicContact CG2-CD1 3.91Å; I617-I621 HydrophobicContact CG2-CG1 4.27Å; I617-I621 WeakPolarHBondContact O-CG1 3.27Å; I617-I621 PolarHBondContact O-N 3.36Å; I617-S671 WeakPolarHBondContact CG2-OG 3.42Å; I617-L675 HydrophobicContact CG2-CB 4.22Å; I617-L675 HydrophobicContact CG2-CD2 4.26Å
618D92.4Very high87Confident57 Ų5733.1 Ų33.131%0.30518%0.178SC..Hα-helixtrans-61.5-37.9177.9-79.1-24.9000112.1L565 L614 F615 V620 I621 H622L565-D618 HydrophobicContact CD1-CB 4.12Å; L565-D618 HydrophobicContact CD2-CB 3.88Å; L614-D618 WeakPolarHBondContact O-CB 3.38Å; L614-D618 PolarHBondContact O-N 3.46Å; F615-D618 PolarHBondContact O-N 3.27Å; D618-V620 VanDerWaalsContact C-N 3.32Å; D618-V620 PolarHBondContact O-N 3.44Å; D618-I621 PolarHBondContact O-N 3.18Å; D618-H622 PolarHBondContact O-N 3.46Å; D618-H622 PolarHBondContact O-ND1 2.93Å
619C91.8Very high86.1Confident0 Ų031.7 Ų31.70%018%0.177CC..Hα-helixtrans-58.2-45.7173.3-70.60000111.1L565 L568 F615 E616 I617 H622 Q623L565-C619 HydrophobicContact CD2-CB 4.42Å; L568-C619 HydrophobicContact CD1-CB 3.59Å; F615-C619 VanDerWaalsContact CZ-SG 3.57Å; F615-C619 PolarHBondContact O-N 3.45Å; F615-C619 PolarHBondContact O-SG 3.25Å; E616-C619 WeakPolarHBondContact O-CB 3.44Å; E616-C619 PolarHBondContact O-N 3.09Å; I617-C619 VanDerWaalsContact C-N 3.3Å; I617-C619 PolarHBondContact O-N 2.88Å; C619-H622 PolarHBondContact O-N 3.49Å; C619-Q623 WeakPolarHBondContact O-CG 3.41Å; C619-Q623 PolarHBondContact O-N 2.91Å; C619-Q623 VanDerWaalsContact O-N 3.16Å
620V90.6Very high85Confident0 Ų031.1 Ų31.10%017%0.173CC..Hα-helixtrans-65.1-43.1177.6177.70000111.1L591 H594 L598 E616 I617 D618 H622 Q623 I624 L651 L675L591-V620 HydrophobicContact CD2-CG2 4.43Å; H594-V620 HydrophobicContact CB-CG2 4.34Å; L598-V620 HydrophobicContact CD1-CG2 4.36Å; E616-V620 WeakPolarHBondContact O-CG2 3.49Å; E616-V620 PolarHBondContact O-N 2.98Å; I617-V620 WeakPolarHBondContact O-CB 3.5Å; I617-V620 PolarHBondContact O-N 2.99Å; I617-V620 VanDerWaalsContact O-N 3.1Å; D618-V620 VanDerWaalsContact C-N 3.32Å; D618-V620 PolarHBondContact O-N 3.44Å; V620-H622 PolarHBondContact O-N 2.86Å; V620-Q623 PolarHBondContact O-N 3.01Å; V620-I624 HydrophobicContact CG1-CD1 3.69Å; V620-I624 HydrophobicContact CG1-CG1 4.42Å; V620-I624 WeakPolarHBondContact O-CD1 3.29Å; V620-I624 VanDerWaalsContact O-CG1 3.31Å; V620-I624 WeakPolarHBondContact O-CG1 3.44Å; V620-I624 PolarHBondContact O-N 3.44Å; V620-L651 HydrophobicContact CG1-CD1 4.44Å; V620-L651 HydrophobicContact CG1-CD2 3.58Å; V620-L675 HydrophobicContact CG1-CD1 3.92Å
621I90.3Very high84Confident7 Ų729.4 Ų29.44%0.03617%0.166CC..Hα-helixtrans-57-49.5175.9-71.6174.5000111.4I617 D618 Q623 I624 K625 A674 L675 T678I617-I621 HydrophobicContact CG2-CD1 3.91Å; I617-I621 HydrophobicContact CG2-CG1 4.27Å; I617-I621 WeakPolarHBondContact O-CG1 3.27Å; I617-I621 PolarHBondContact O-N 3.36Å; D618-I621 PolarHBondContact O-N 3.18Å; I621-Q623 VanDerWaalsContact C-N 3.29Å; I621-Q623 PolarHBondContact O-N 2.95Å; I621-I624 PolarHBondContact O-N 3.29Å; I621-K625 HydrophobicContact CG2-CD 4.4Å; I621-K625 WeakPolarHBondContact O-CG 3.48Å; I621-K625 PolarHBondContact O-N 3.3Å; I621-A674 HydrophobicContact CD1-CB 4.03Å; I621-L675 HydrophobicContact CD1-CB 4.07Å; I621-L675 HydrophobicContact CG1-CB 3.9Å; I621-L675 HydrophobicContact CG1-CD1 3.82Å; I621-L675 HydrophobicContact CG1-CG 4.47Å; I621-T678 HydrophobicContact CG2-CG2 4.17Å
622H87.5Confident82.8Confident42 Ų4229.9 Ų29.919%0.19416%0.161CC..Hα-helixtrans-63.8-36.9-177.8-77.378.5000111.9T569 D618 C619 V620 K625 A626T569-H622 PolarHBondContact OG1-CD2 2.75Å; T569-H622 VanDerWaalsContact OG1-CD2 3.28Å; D618-H622 PolarHBondContact O-N 3.46Å; D618-H622 PolarHBondContact O-ND1 2.93Å; C619-H622 PolarHBondContact O-N 3.49Å; V620-H622 PolarHBondContact O-N 2.86Å; H622-K625 PolarHBondContact O-N 3.41Å; H622-A626 PolarHBondContact O-N 2.94Å
623Q83.2Confident81.5Confident0 Ų033.4 Ų33.40%018%0.178CC..Hα-helixtrans-71.9-35.4175.7-73.9-642.400113.4L568 L591 C619 V620 I621 K625 A626 L627L568-Q623 HydrophobicContact CB-CG 4.13Å; L568-Q623 VanDerWaalsContact CB-NE2 3.32Å; L568-Q623 HydrophobicContact CD1-CG 4.42Å; L568-Q623 HydrophobicContact CD2-CG 4.07Å; L568-Q623 HydrophobicContact CG-CG 4.45Å; L568-Q623 PolarHBondContact O-NE2 2.97Å; L568-Q623 VanDerWaalsContact O-NE2 3.1Å; L568-Q623 PolarHBondContact O-OE1 2.84Å; L591-Q623 HydrophobicContact CD1-CB 4.05Å; L591-Q623 HydrophobicContact CD2-CB 3.47Å; L591-Q623 VanDerWaalsContact CD2-CB 3.47Å; L591-Q623 HydrophobicContact CD2-CG 3.67Å; L591-Q623 HydrophobicContact CG-CB 3.95Å; L591-Q623 HydrophobicContact CG-CG 4.04Å; C619-Q623 WeakPolarHBondContact O-CG 3.41Å; C619-Q623 PolarHBondContact O-N 2.91Å; C619-Q623 VanDerWaalsContact O-N 3.16Å; V620-Q623 PolarHBondContact O-N 3.01Å; I621-Q623 VanDerWaalsContact C-N 3.29Å; I621-Q623 PolarHBondContact O-N 2.95Å; Q623-K625 VanDerWaalsContact C-N 3.33Å; Q623-A626 CarbonylContact O-C 3.57Å; Q623-A626 WeakPolarHBondContact O-CB 3.31Å; Q623-A626 PolarHBondContact O-N 2.96Å; Q623-A626 VanDerWaalsContact O-N 3.16Å; Q623-L627 PolarHBondContact O-N 3.31Å
624I83.5Confident80.3Confident1 Ų135.8 Ų35.81%0.00520%0.203CC..Hα-helixtrans-64.3-39.7172.1-68157.7000111V620 I621 A626 L627 A628 L651 L675 T678 L679 A682V620-I624 HydrophobicContact CG1-CD1 3.69Å; V620-I624 HydrophobicContact CG1-CG1 4.42Å; V620-I624 WeakPolarHBondContact O-CD1 3.29Å; V620-I624 VanDerWaalsContact O-CG1 3.31Å; V620-I624 WeakPolarHBondContact O-CG1 3.44Å; V620-I624 PolarHBondContact O-N 3.44Å; I621-I624 PolarHBondContact O-N 3.29Å; I624-A626 VanDerWaalsContact C-N 3.26Å; I624-A626 PolarHBondContact O-N 3.38Å; I624-L627 WeakPolarHBondContact O-CB 3.39Å; I624-L627 PolarHBondContact O-N 3.27Å; I624-A628 PolarHBondContact O-N 3.26Å; I624-L651 HydrophobicContact CD1-CD2 4.4Å; I624-L675 HydrophobicContact CD1-CD1 3.31Å; I624-T678 HydrophobicContact CB-CG2 4.11Å; I624-T678 HydrophobicContact CG2-CG2 3.78Å; I624-L679 HydrophobicContact CB-CD2 4.5Å; I624-L679 HydrophobicContact CD1-CD2 3.42Å; I624-L679 VanDerWaalsContact CD1-CD2 3.42Å; I624-L679 HydrophobicContact CD1-CG 3.88Å; I624-L679 HydrophobicContact CG1-CD2 3.9Å; I624-L679 HydrophobicContact CG2-CD2 3.78Å; I624-L679 HydrophobicContact CG2-CG 4.39Å; I624-A682 HydrophobicContact CG2-CB 3.91Å
625K82.8Confident78.9Confident106 Ų10643.2 Ų43.246%0.46124%0.237SC..Hα-helixtrans-60.3-40.2172.5-70.7175.8-177.8171.50111.2I621 H622 Q623 A628 T678I621-K625 HydrophobicContact CG2-CD 4.4Å; I621-K625 WeakPolarHBondContact O-CG 3.48Å; I621-K625 PolarHBondContact O-N 3.3Å; H622-K625 PolarHBondContact O-N 3.41Å; Q623-K625 VanDerWaalsContact C-N 3.33Å; K625-A628 WeakPolarHBondContact O-CB 3.46Å; K625-A628 PolarHBondContact O-N 3.48Å; K625-T678 HydrophobicContact CD-CG2 4.46Å; K625-T678 HydrophobicContact CG-CG2 3.56Å
626A75.8Confident77.9Confident3 Ų346.2 Ų46.23%0.02525%0.252CS..Hα-helixtrans-67.4-40.2176.200000112.2H622 Q623 I624 A628 S629 C630H622-A626 PolarHBondContact O-N 2.94Å; Q623-A626 CarbonylContact O-C 3.57Å; Q623-A626 WeakPolarHBondContact O-CB 3.31Å; Q623-A626 PolarHBondContact O-N 2.96Å; Q623-A626 VanDerWaalsContact O-N 3.16Å; I624-A626 VanDerWaalsContact C-N 3.26Å; I624-A626 PolarHBondContact O-N 3.38Å; A626-A628 VanDerWaalsContact C-N 3.28Å; A626-A628 PolarHBondContact O-N 3.38Å; A626-S629 WeakPolarHBondContact O-CB 3.47Å; A626-S629 PolarHBondContact O-N 2.84Å; A626-S629 PolarHBondContact O-OG 3.46Å; A626-C630 PolarHBondContact O-N 3.03Å
627L73.2Confident77.2Confident2 Ų249.4 Ų49.41%0.0127%0.265CS..Hα-helixtrans-55.2-41.2170.4-87.6154000112.8L584 L587 L591 Q623 I624 S629 C630 L631 W643L584-L627 HydrophobicContact CD2-CD2 3.56Å; L587-L627 HydrophobicContact CD2-CD1 3.47Å; L587-L627 VanDerWaalsContact CD2-CD1 3.47Å; L587-L627 HydrophobicContact CD2-CD2 3.31Å; L587-L627 HydrophobicContact CD2-CG 3.17Å; L591-L627 HydrophobicContact CD1-CD1 4.49Å; Q623-L627 PolarHBondContact O-N 3.31Å; I624-L627 WeakPolarHBondContact O-CB 3.39Å; I624-L627 PolarHBondContact O-N 3.27Å; L627-S629 PolarHBondContact O-N 3.01Å; L627-C630 WeakPolarHBondContact O-CA 3.21Å; L627-C630 VanDerWaalsContact O-CB 3.23Å; L627-C630 WeakPolarHBondContact O-CB 3.21Å; L627-C630 PolarHBondContact O-N 2.7Å; L627-L631 PolarHBondContact O-N 3.44Å; L627-L631 VanDerWaalsContact O-N 3.15Å; L627-W643 HydrophobicContact CD1-CZ3 4.19Å; L627-W643 HydrophobicContact CD2-CE3 4.22Å; L627-W643 HydrophobicContact CD2-CZ3 3.83Å
628A73.4Confident76.5Confident39 Ų3953 Ų5332%0.32230%0.295SS..Hα-helixtrans-56.4-33.7177.200000112I624 K625 A626 C630 L631 A682I624-A628 PolarHBondContact O-N 3.26Å; K625-A628 WeakPolarHBondContact O-CB 3.46Å; K625-A628 PolarHBondContact O-N 3.48Å; A626-A628 VanDerWaalsContact C-N 3.28Å; A626-A628 PolarHBondContact O-N 3.38Å; A628-C630 VanDerWaalsContact C-N 3.3Å; A628-C630 PolarHBondContact O-N 2.9Å; A628-L631 PolarHBondContact O-N 3.48Å; A628-A682 HydrophobicContact CB-CB 3.66Å
629S67.7Low75.9Confident44 Ų4454.2 Ų54.231%0.30831%0.305SS..Hα-helixtrans-71.6-22.9174.682.20000113.4K535 A626 L627K535-S629 PolarHBondContact NZ-O 3.32Å; A626-S629 WeakPolarHBondContact O-CB 3.47Å; A626-S629 PolarHBondContact O-N 2.84Å; A626-S629 PolarHBondContact O-OG 3.46Å; L627-S629 PolarHBondContact O-N 3.01Å
630C66.7Low75.2Confident31 Ų3154.4 Ų54.421%0.20931%0.306CS..Hα-helixtrans-80.1-23.4173.6-53.90000112.8S576 A626 L627 A628 V632S576-C630 WeakPolarHBondContact CA-SG 3.01Å; S576-C630 WeakPolarHBondContact CB-SG 3.35Å; A626-C630 PolarHBondContact O-N 3.03Å; L627-C630 WeakPolarHBondContact O-CA 3.21Å; L627-C630 VanDerWaalsContact O-CB 3.23Å; L627-C630 WeakPolarHBondContact O-CB 3.21Å; L627-C630 PolarHBondContact O-N 2.7Å; A628-C630 VanDerWaalsContact C-N 3.3Å; A628-C630 PolarHBondContact O-N 2.9Å; C630-V632 PolarHBondContact O-N 3.25Å
631L67.7Low74.9Confident24 Ų2455.1 Ų55.113%0.12631%0.31CS..  trans-75.548.4-179.6-65.5172.9000112.7L627 A628 A640 V641 A682 L683L627-L631 PolarHBondContact O-N 3.44Å; L627-L631 VanDerWaalsContact O-N 3.15Å; A628-L631 PolarHBondContact O-N 3.48Å; L631-A640 HydrophobicContact CD2-CB 3.6Å; L631-V641 HydrophobicContact CD2-CG2 4.02Å; L631-A682 WeakPolarHBondContact CD1-O 3.43Å; L631-L683 HydrophobicContact CD1-CD2 3.92Å
632V63.4Low74.6Confident82 Ų8257.4 Ų57.450%0.49733%0.327SS..  trans-65.2142178.4-172.80000110.3C630 G634C630-V632 PolarHBondContact O-N 3.25Å; V632-G634 PolarHBondContact O-N 3.1Å
633E59.9Low74.4Confident180 Ų18057.9 Ų57.984%0.84133%0.327SS*.SBendtrans-59.7123.9173.7-65.4-176.8170.300110.6
634G66Low74.4Confident53 Ų5358 Ų5855%0.54633%0.327SS..SBendtrans159-173.1-18000000114.6V632 H636 K637V632-G634 PolarHBondContact O-N 3.1Å; G634-H636 PolarHBondContact O-N 2.75Å; G634-H636 VanDerWaalsContact O-N 3.12Å; G634-K637 WeakPolarHBondContact O-CB 3.47Å; G634-K637 PolarHBondContact O-N 3.44Å; G634-K637 VanDerWaalsContact O-N 3.09Å
635Q63.9Low74.5Confident187 Ų18759.1 Ų59.187%0.87433%0.333SS*.THydrogen-bonded Turntrans-58.3-26.6-175.9-69.6-178.6-9.300113.5
636H70.9Confident74.7Confident105 Ų10560 Ų6049%0.48634%0.339SS..THydrogen-bonded Turntrans-92.9-2.8-178.5-60.8-70000114.8P580 G634 A638 V639 A640P580-H636 HydrophobicContact CG-CB 3.54Å; G634-H636 PolarHBondContact O-N 2.75Å; G634-H636 VanDerWaalsContact O-N 3.12Å; H636-A638 VanDerWaalsContact C-N 3.28Å; H636-A638 PolarHBondContact O-N 3.17Å; H636-V639 PolarHBondContact O-N 2.86Å; H636-A640 PolarHBondContact O-N 3.23Å; H636-A640 VanDerWaalsContact O-N 3.16Å
637K77.5Confident75.1Confident73 Ų7361 Ų6132%0.31734%0.343SS..Hα-helixtrans-56.5-43.9-178.1-172.9-174177.8-156.90111.5G634 V639 A640 V641 D686G634-K637 WeakPolarHBondContact O-CB 3.47Å; G634-K637 PolarHBondContact O-N 3.44Å; G634-K637 VanDerWaalsContact O-N 3.09Å; K637-V639 VanDerWaalsContact C-N 3.34Å; K637-V639 PolarHBondContact O-N 3.49Å; K637-A640 PolarHBondContact O-N 2.97Å; K637-V641 HydrophobicContact CG-CG2 4.14Å; K637-V641 WeakPolarHBondContact O-CB 3.23Å; K637-V641 VanDerWaalsContact O-CG2 3.28Å; K637-V641 WeakPolarHBondContact O-CG2 3.47Å; K637-V641 PolarHBondContact O-N 3.1Å; K637-D686 WeakPolarHBondContact CE-OD2 3.45Å; K637-D686 IonicContact NZ-OD1 3.78Å; K637-D686 IonicContact NZ-OD2 3.14Å; K637-D686 PolarHBondContact NZ-OD2 3.36Å
638A78.8Confident75.6Confident76 Ų7660.9 Ų60.963%0.62834%0.343SS*.Hα-helixtrans-60.6-41.9-178.500000112.6H636 S642H636-A638 VanDerWaalsContact C-N 3.28Å; H636-A638 PolarHBondContact O-N 3.17Å; A638-S642 WeakPolarHBondContact O-CB 3.36Å; A638-S642 PolarHBondContact O-N 3.43Å
639V78.6Confident76.3Confident84 Ų8462.7 Ų62.751%0.50935%0.346SS..Hα-helixtrans-65.3-45.3178.3179.20000110.6H636 K637 S642 W643H636-V639 PolarHBondContact O-N 2.86Å; K637-V639 VanDerWaalsContact C-N 3.34Å; K637-V639 PolarHBondContact O-N 3.49Å; V639-S642 PolarHBondContact O-N 2.78Å; V639-W643 WeakPolarHBondContact O-CB 3.33Å; V639-W643 PolarHBondContact O-N 3.02Å
640A79.1Confident77.3Confident3 Ų363.1 Ų63.13%0.02535%0.348CS..Hα-helixtrans-67.9-38.9-179.500000112.6L584 L631 H636 K637 T644L584-A640 HydrophobicContact CD1-CB 4.08Å; L631-A640 HydrophobicContact CD2-CB 3.6Å; H636-A640 PolarHBondContact O-N 3.23Å; H636-A640 VanDerWaalsContact O-N 3.16Å; K637-A640 PolarHBondContact O-N 2.97Å; A640-T644 WeakPolarHBondContact O-CB 3.36Å; A640-T644 PolarHBondContact O-N 3.18Å; A640-T644 PolarHBondContact O-OG1 2.95Å
641V83.2Confident78.3Confident16 Ų1661.7 Ų61.710%0.09734%0.338CS..Hα-helixtrans-62.7-47.9172.7168.30000110.7L631 K637 W643 T644 L645 D686L631-V641 HydrophobicContact CD2-CG2 4.02Å; K637-V641 HydrophobicContact CG-CG2 4.14Å; K637-V641 WeakPolarHBondContact O-CB 3.23Å; K637-V641 VanDerWaalsContact O-CG2 3.28Å; K637-V641 WeakPolarHBondContact O-CG2 3.47Å; K637-V641 PolarHBondContact O-N 3.1Å; V641-W643 PolarHBondContact O-N 3.35Å; V641-T644 PolarHBondContact O-N 3Å; V641-L645 HydrophobicContact CG1-CD1 3.95Å; V641-L645 HydrophobicContact CG1-CG 4.42Å; V641-L645 WeakPolarHBondContact O-CG 3.43Å; V641-L645 PolarHBondContact O-N 3.34Å; V641-D686 HydrophobicContact CG1-CB 3.77Å; V641-D686 HydrophobicContact CG2-CB 4.08Å
642S84.6Confident79.3Confident55 Ų5561.2 Ų61.239%0.38534%0.336SS..Hα-helixtrans-57.2-51.4178.9-165.70000111.3A638 V639 T644 L645 E646A638-S642 WeakPolarHBondContact O-CB 3.36Å; A638-S642 PolarHBondContact O-N 3.43Å; V639-S642 PolarHBondContact O-N 2.78Å; S642-T644 VanDerWaalsContact C-N 3.31Å; S642-T644 PolarHBondContact O-N 3.29Å; S642-L645 PolarHBondContact O-N 3.47Å; S642-E646 WeakPolarHBondContact O-CG 3.46Å; S642-E646 PolarHBondContact O-N 3.48Å; S642-E646 PolarHBondContact OG-OE1 3.42Å; S642-E646 VanDerWaalsContact OG-OE1 3.11Å
643W83.7Confident80.4Confident51 Ų5162.7 Ų62.719%0.19334%0.342CS..Hα-helixtrans-60.5-41.4178.6-17491.4000112.1L584 L587 L627 V639 V641 L645 E646 F647L584-W643 HydrophobicContact CB-CD2 3.72Å; L584-W643 HydrophobicContact CB-CE3 4.1Å; L584-W643 HydrophobicContact CB-CG 4.02Å; L584-W643 HydrophobicContact CB-CZ2 4.29Å; L584-W643 HydrophobicContact CD1-CB 3.88Å; L584-W643 HydrophobicContact CD1-CD2 4.24Å; L584-W643 HydrophobicContact CD1-CE3 4.49Å; L584-W643 HydrophobicContact CD1-CG 3.96Å; L584-W643 HydrophobicContact CD2-CD2 4.28Å; L584-W643 HydrophobicContact CD2-CE3 3.85Å; L584-W643 HydrophobicContact CD2-CZ3 4.23Å; L584-W643 HydrophobicContact CG-CD2 4.3Å; L584-W643 HydrophobicContact CG-CE3 4.37Å; L584-W643 HydrophobicContact CG-CG 4.49Å; L584-W643 WeakPolarHBondContact O-CZ2 3.39Å; L587-W643 HydrophobicContact CD2-CH2 4.25Å; L587-W643 HydrophobicContact CD2-CZ3 4.2Å; L627-W643 HydrophobicContact CD1-CZ3 4.19Å; L627-W643 HydrophobicContact CD2-CE3 4.22Å; L627-W643 HydrophobicContact CD2-CZ3 3.83Å; V639-W643 WeakPolarHBondContact O-CB 3.33Å; V639-W643 PolarHBondContact O-N 3.02Å; V641-W643 PolarHBondContact O-N 3.35Å; W643-L645 PolarHBondContact O-N 3.13Å; W643-E646 PolarHBondContact O-N 2.96Å; W643-F647 HydrophobicContact CE3-CB 4.4Å; W643-F647 HydrophobicContact CH2-CB 4.37Å; W643-F647 HydrophobicContact CH2-CD2 4.09Å; W643-F647 HydrophobicContact CH2-CG 4.21Å; W643-F647 HydrophobicContact CZ2-CD2 4.48Å; W643-F647 HydrophobicContact CZ3-CB 4.17Å; W643-F647 HydrophobicContact CZ3-CG 4.28Å; W643-F647 WeakPolarHBondContact O-CB 3.31Å; W643-F647 PolarHBondContact O-N 3.14Å
644T82.8Confident81.9Confident2 Ų255.2 Ų55.21%0.01231%0.307CS..Hα-helixtrans-64.1-42.5178.2-55.30000110.6A640 V641 S642 F647 V648 L683A640-T644 WeakPolarHBondContact O-CB 3.36Å; A640-T644 PolarHBondContact O-N 3.18Å; A640-T644 PolarHBondContact O-OG1 2.95Å; V641-T644 PolarHBondContact O-N 3Å; S642-T644 VanDerWaalsContact C-N 3.31Å; S642-T644 PolarHBondContact O-N 3.29Å; T644-F647 PolarHBondContact O-N 3.19Å; T644-V648 HydrophobicContact CG2-CG2 4.09Å; T644-V648 VanDerWaalsContact O-CB 3.25Å; T644-V648 WeakPolarHBondContact O-CB 3.41Å; T644-V648 WeakPolarHBondContact O-CG2 3.43Å; T644-V648 PolarHBondContact O-N 3.2Å; T644-L683 HydrophobicContact CG2-CD1 4.19Å; T644-L683 HydrophobicContact CG2-CD2 3.88Å; T644-L683 HydrophobicContact CG2-CG 4.22Å
645L85.9Confident83Confident25 Ų2552.8 Ų52.813%0.13128%0.282CS..Hα-helixtrans-64.6-45.3175.8-70.8172.3000111.7V641 S642 W643 F647 V648 I649 L683 P689 L690V641-L645 HydrophobicContact CG1-CD1 3.95Å; V641-L645 HydrophobicContact CG1-CG 4.42Å; V641-L645 WeakPolarHBondContact O-CG 3.43Å; V641-L645 PolarHBondContact O-N 3.34Å; S642-L645 PolarHBondContact O-N 3.47Å; W643-L645 PolarHBondContact O-N 3.13Å; L645-F647 PolarHBondContact O-N 3.48Å; L645-V648 PolarHBondContact O-N 2.9Å; L645-I649 WeakPolarHBondContact O-CD1 3.33Å; L645-I649 WeakPolarHBondContact O-CG1 3.5Å; L645-I649 PolarHBondContact O-N 2.84Å; L645-L683 HydrophobicContact CD2-CD1 3.91Å; L645-P689 HydrophobicContact CD1-CG 4.08Å; L645-L690 HydrophobicContact CD2-CD1 4Å; L645-L690 HydrophobicContact CD2-CD2 4.22Å; L645-L690 HydrophobicContact CD2-CG 3.88Å
646E86Confident84.3Confident125 Ų12549.1 Ų49.158%0.58426%0.263SS*.Hα-helixtrans-57.4-37.2175.9-75.4168.4-150.900112.3S642 W643 P650S642-E646 WeakPolarHBondContact O-CG 3.46Å; S642-E646 PolarHBondContact O-N 3.48Å; S642-E646 PolarHBondContact OG-OE1 3.42Å; S642-E646 VanDerWaalsContact OG-OE1 3.11Å; W643-E646 PolarHBondContact O-N 2.96Å; E646-P650 WeakPolarHBondContact O-CD 3.48Å
647F83.3Confident85.3Confident24 Ų2446 Ų4611%0.10525%0.252CS..Hα-helixtrans-74.6-39.6176.8179.4-93.2000113L591 M595 W643 T644 L645 P650L591-F647 HydrophobicContact CB-CE2 3.93Å; L591-F647 HydrophobicContact CB-CZ 3.7Å; L591-F647 HydrophobicContact CD1-CE1 3.86Å; L591-F647 HydrophobicContact CD1-CE2 4.03Å; L591-F647 HydrophobicContact CD1-CZ 3.5Å; L591-F647 HydrophobicContact CD2-CZ 4.17Å; L591-F647 HydrophobicContact CG-CZ 4Å; M595-F647 HydrophobicContact CE-CZ 4.43Å; M595-F647 HydrophobicContact CG-CE2 4.46Å; M595-F647 HydrophobicContact CG-CZ 4.05Å; M595-F647 HydrophobicContact SD-CD2 4.08Å; M595-F647 HydrophobicContact SD-CE1 4.04Å; M595-F647 HydrophobicContact SD-CE2 3.19Å; M595-F647 WeakPolarHBondContact SD-CE2 3.36Å; M595-F647 HydrophobicContact SD-CZ 3.15Å; M595-F647 WeakPolarHBondContact SD-CZ 3.32Å; W643-F647 HydrophobicContact CE3-CB 4.4Å; W643-F647 HydrophobicContact CH2-CB 4.37Å; W643-F647 HydrophobicContact CH2-CD2 4.09Å; W643-F647 HydrophobicContact CH2-CG 4.21Å; W643-F647 HydrophobicContact CZ2-CD2 4.48Å; W643-F647 HydrophobicContact CZ3-CB 4.17Å; W643-F647 HydrophobicContact CZ3-CG 4.28Å; W643-F647 WeakPolarHBondContact O-CB 3.31Å; W643-F647 PolarHBondContact O-N 3.14Å; T644-F647 PolarHBondContact O-N 3.19Å; L645-F647 PolarHBondContact O-N 3.48Å; F647-P650 WeakPolarHBondContact O-CD 3.32Å
648V85.5Confident85.9Confident0 Ų042.7 Ų42.70%024%0.238CC..Hα-helixtrans-80.8-31.3-172.11690000112.8T644 L645 L651 C652 L679 L690T644-V648 HydrophobicContact CG2-CG2 4.09Å; T644-V648 VanDerWaalsContact O-CB 3.25Å; T644-V648 WeakPolarHBondContact O-CB 3.41Å; T644-V648 WeakPolarHBondContact O-CG2 3.43Å; T644-V648 PolarHBondContact O-N 3.2Å; L645-V648 PolarHBondContact O-N 2.9Å; V648-L651 WeakPolarHBondContact O-CA 3.5Å; V648-L651 VanDerWaalsContact O-CB 3.31Å; V648-L651 WeakPolarHBondContact O-CB 3.3Å; V648-L651 PolarHBondContact O-N 2.91Å; V648-C652 PolarHBondContact O-N 2.98Å; V648-L679 HydrophobicContact CB-CD2 4.09Å; V648-L679 HydrophobicContact CG1-CD1 3.55Å; V648-L679 HydrophobicContact CG1-CD2 3.58Å; V648-L679 HydrophobicContact CG1-CG 4.13Å; V648-L679 HydrophobicContact CG2-CD2 3.28Å; V648-L690 HydrophobicContact CG1-CD1 3.74Å; V648-L690 HydrophobicContact CG1-CD2 4.26Å
649I87.7Confident86.6Confident76 Ų7639.7 Ų39.739%0.3921%0.21SC..Hα-helixtrans-56.8-51.5179.7-72.3162.5000111.4L645 L651 C652 D653 L690L645-I649 WeakPolarHBondContact O-CD1 3.33Å; L645-I649 WeakPolarHBondContact O-CG1 3.5Å; L645-I649 PolarHBondContact O-N 2.84Å; I649-L651 PolarHBondContact O-N 3.44Å; I649-C652 WeakPolarHBondContact O-CB 3.33Å; I649-C652 PolarHBondContact O-N 2.96Å; I649-C652 VanDerWaalsContact O-N 3.09Å; I649-D653 PolarHBondContact O-N 3.13Å; I649-D653 VanDerWaalsContact O-N 3.17Å; I649-L690 HydrophobicContact CG1-CD2 3.89Å
650P87.6Confident87.2Confident54 Ų5441 Ų4135%0.35121%0.211SC..Hα-helixtrans-58.6-33.2174.2-24.432.7000113.7M595 E646 F647 D653 L654M595-P650 HydrophobicContact CE-CB 4.48Å; E646-P650 WeakPolarHBondContact O-CD 3.48Å; F647-P650 WeakPolarHBondContact O-CD 3.32Å; P650-D653 PolarHBondContact O-N 2.99Å; P650-L654 WeakPolarHBondContact O-CG 3.32Å; P650-L654 PolarHBondContact O-N 3.11Å
651L88.1Confident87.6Confident1 Ų143.7 Ų43.71%0.00523%0.227CC..Hα-helixtrans-66.9-42176.5178.666.3000111.2M595 V620 I624 V648 I649 D653 L654 L655 L675M595-L651 HydrophobicContact CE-CB 4.16Å; V620-L651 HydrophobicContact CG1-CD1 4.44Å; V620-L651 HydrophobicContact CG1-CD2 3.58Å; I624-L651 HydrophobicContact CD1-CD2 4.4Å; V648-L651 WeakPolarHBondContact O-CA 3.5Å; V648-L651 VanDerWaalsContact O-CB 3.31Å; V648-L651 WeakPolarHBondContact O-CB 3.3Å; V648-L651 PolarHBondContact O-N 2.91Å; I649-L651 PolarHBondContact O-N 3.44Å; L651-D653 VanDerWaalsContact C-N 3.26Å; L651-D653 PolarHBondContact O-N 3.37Å; L651-L654 WeakPolarHBondContact O-CB 3.19Å; L651-L654 PolarHBondContact O-N 3.14Å; L651-L654 VanDerWaalsContact O-N 3.12Å; L651-L655 WeakPolarHBondContact O-CG 3.33Å; L651-L655 PolarHBondContact O-N 3.4Å; L651-L675 HydrophobicContact CD1-CD2 4.32Å; L651-L675 HydrophobicContact CD2-CD1 4.05Å; L651-L675 HydrophobicContact CD2-CD2 3.91Å; L651-L675 HydrophobicContact CD2-CG 4.37Å; L651-L675 HydrophobicContact CG-CD2 4.17Å
652C88.2Confident87.8Confident13 Ų1343.6 Ų43.69%0.08823%0.227CC..Hα-helixtrans-59.3-38.8174.7-72.30000112V648 I649 L654 L655V648-C652 PolarHBondContact O-N 2.98Å; I649-C652 WeakPolarHBondContact O-CB 3.33Å; I649-C652 PolarHBondContact O-N 2.96Å; I649-C652 VanDerWaalsContact O-N 3.09Å; C652-L654 PolarHBondContact O-N 3.44Å; C652-L655 PolarHBondContact O-N 3.17Å
653D88.4Confident87.9Confident113 Ų11344 Ų4460%0.60424%0.24SC*.Hα-helixtrans-65.8-24177.9-64.1-26000112.8I649 P650 L651 P657I649-D653 PolarHBondContact O-N 3.13Å; I649-D653 VanDerWaalsContact O-N 3.17Å; P650-D653 PolarHBondContact O-N 2.99Å; L651-D653 VanDerWaalsContact C-N 3.26Å; L651-D653 PolarHBondContact O-N 3.37Å; D653-P657 WeakPolarHBondContact O-CD 3.43Å
654L89.8Confident88Confident24 Ų2444.8 Ų44.813%0.12625%0.253CS..Hα-helixtrans-82.8-18.9177.7-66168.7000114Q599 P650 L651 C652 K656 P657 L658Q599-L654 HydrophobicContact CG-CD1 3.42Å; Q599-L654 VanDerWaalsContact CG-CD1 3.42Å; Q599-L654 HydrophobicContact CG-CD2 3.66Å; Q599-L654 HydrophobicContact CG-CG 4.18Å; P650-L654 WeakPolarHBondContact O-CG 3.32Å; P650-L654 PolarHBondContact O-N 3.11Å; L651-L654 WeakPolarHBondContact O-CB 3.19Å; L651-L654 PolarHBondContact O-N 3.14Å; L651-L654 VanDerWaalsContact O-N 3.12Å; C652-L654 PolarHBondContact O-N 3.44Å; L654-K656 VanDerWaalsContact C-N 3.32Å; L654-K656 PolarHBondContact O-N 3.28Å; L654-P657 WeakPolarHBondContact O-CD 3.39Å; L654-L658 HydrophobicContact CB-CD1 4.36Å; L654-L658 WeakPolarHBondContact O-CB 3.39Å; L654-L658 VanDerWaalsContact O-CG 3.23Å; L654-L658 WeakPolarHBondContact O-CG 3.43Å; L654-L658 PolarHBondContact O-N 3.14Å
655L90.5Very high88.4Confident1 Ų146.7 Ų46.71%0.00526%0.263CS..Hα-helixtrans-64.5-37.4-173.2-58.4176.3000112.6L651 C652 Y659 I672 L675 I697L651-L655 WeakPolarHBondContact O-CG 3.33Å; L651-L655 PolarHBondContact O-N 3.4Å; C652-L655 PolarHBondContact O-N 3.17Å; L655-Y659 WeakPolarHBondContact O-CB 3.35Å; L655-Y659 PolarHBondContact O-N 2.61Å; L655-I672 HydrophobicContact CB-CG2 4.21Å; L655-I672 HydrophobicContact CD1-CG2 4.08Å; L655-I672 HydrophobicContact CD2-CG1 4.3Å; L655-I672 HydrophobicContact CD2-CG2 4.21Å; L655-I672 HydrophobicContact CG-CG2 4.37Å; L655-L675 HydrophobicContact CD2-CD2 3.77Å; L655-I697 HydrophobicContact CD1-CD1 3.48Å; L655-I697 VanDerWaalsContact CD1-CD1 3.48Å; L655-I697 HydrophobicContact CD1-CG1 3.94Å
656K91Very high88.5Confident110 Ų11047 Ų4748%0.47827%0.273SS..Hα-helixtrans-66.4-55.1178172.6176.3178.6-177.50111.9L654 L658 Y659 E660 L700L654-K656 VanDerWaalsContact C-N 3.32Å; L654-K656 PolarHBondContact O-N 3.28Å; K656-L658 VanDerWaalsContact C-N 3.27Å; K656-L658 PolarHBondContact O-N 3.2Å; K656-Y659 PolarHBondContact O-N 2.77Å; K656-E660 WeakPolarHBondContact CE-OE1 3.27Å; K656-E660 HydrophobicContact CG-CG 4.5Å; K656-E660 IonicContact NZ-OE1 2.93Å; K656-E660 WeakPolarHBondContact O-CG 3.44Å; K656-E660 PolarHBondContact O-N 3.09Å; K656-L700 HydrophobicContact CB-CD1 4.42Å; K656-L700 HydrophobicContact CB-CD2 3.95Å; K656-L700 HydrophobicContact CD-CD1 4.48Å; K656-L700 HydrophobicContact CG-CD1 3.98Å; K656-L700 HydrophobicContact CG-CD2 4.41Å
657P91.4Very high88.8Confident41 Ų4146.3 Ų46.327%0.26627%0.27SS..Hα-helixtrans-54.4-40.9172.7-27.433.5000113.5C602 D653 L654 Y659 E660 V661C602-P657 HydrophobicContact CB-CB 3.92Å; D653-P657 WeakPolarHBondContact O-CD 3.43Å; L654-P657 WeakPolarHBondContact O-CD 3.39Å; P657-Y659 VanDerWaalsContact C-N 3.35Å; P657-Y659 PolarHBondContact O-N 3.4Å; P657-E660 PolarHBondContact O-N 3.27Å; P657-V661 WeakPolarHBondContact O-CB 3.45Å; P657-V661 VanDerWaalsContact O-CG2 3.29Å; P657-V661 WeakPolarHBondContact O-CG2 3.36Å; P657-V661 PolarHBondContact O-N 3.05Å
658L90.2Very high89.3Confident2 Ų245.1 Ų45.11%0.0127%0.265CS..Hα-helixtrans-60.6-43.3178.6-78.6171.3000112.3L598 C602 V613 L654 K656 S662L598-L658 HydrophobicContact CB-CD1 4.39Å; L598-L658 HydrophobicContact CB-CD2 4.29Å; L598-L658 HydrophobicContact CD2-CD1 4.23Å; L598-L658 HydrophobicContact CD2-CD2 3.95Å; C602-L658 WeakPolarHBondContact SG-CD2 3.49Å; C602-L658 WeakPolarHBondContact SG-CG 3.4Å; V613-L658 HydrophobicContact CG1-CD2 4.45Å; L654-L658 HydrophobicContact CB-CD1 4.36Å; L654-L658 WeakPolarHBondContact O-CB 3.39Å; L654-L658 VanDerWaalsContact O-CG 3.23Å; L654-L658 WeakPolarHBondContact O-CG 3.43Å; L654-L658 PolarHBondContact O-N 3.14Å; K656-L658 VanDerWaalsContact C-N 3.27Å; K656-L658 PolarHBondContact O-N 3.2Å; L658-S662 PolarHBondContact O-N 3.19Å; L658-S662 VanDerWaalsContact O-N 3.13Å
659Y92.4Very high89.6Confident13 Ų1345.1 Ų45.15%0.05127%0.265CS..Hα-helixtrans-72-33.7178.9-178.8-113.4000112.9L655 K656 P657 S662 S664 A669 I672 L700 L701 H705L655-Y659 WeakPolarHBondContact O-CB 3.35Å; L655-Y659 PolarHBondContact O-N 2.61Å; K656-Y659 PolarHBondContact O-N 2.77Å; P657-Y659 VanDerWaalsContact C-N 3.35Å; P657-Y659 PolarHBondContact O-N 3.4Å; Y659-S662 PolarHBondContact O-OG 3.37Å; Y659-S664 PolarHBondContact O-N 3.47Å; Y659-S664 WeakPolarHBondContact OH-CB 3.29Å; Y659-A669 HydrophobicContact CD2-CB 4.41Å; Y659-A669 HydrophobicContact CE2-CB 3.89Å; Y659-I672 HydrophobicContact CD2-CD1 4.44Å; Y659-L700 HydrophobicContact CD1-CD1 3.85Å; Y659-L700 HydrophobicContact CD1-CD2 4.1Å; Y659-L700 HydrophobicContact CD1-CG 3.74Å; Y659-L700 HydrophobicContact CE1-CD1 4.38Å; Y659-L700 HydrophobicContact CE1-CG 4.24Å; Y659-L700 HydrophobicContact CG-CD2 4.41Å; Y659-L700 HydrophobicContact CG-CG 4.49Å; Y659-L701 HydrophobicContact CD1-CD2 4.01Å; Y659-L701 HydrophobicContact CD2-CD2 3.66Å; Y659-L701 HydrophobicContact CE1-CD2 3.99Å; Y659-L701 HydrophobicContact CE2-CD2 3.66Å; Y659-L701 HydrophobicContact CG-CD2 3.83Å; Y659-H705 AromaticContact CE2-NE2 3.88Å; Y659-H705 AromaticContact CZ-CD2 3.97Å; Y659-H705 AromaticContact CZ-NE2 3.85Å; Y659-H705 PolarHBondContact OH-CD2 3.47Å; Y659-H705 PolarHBondContact OH-NE2 2.81Å
660E91Very high90Very high112 Ų11243.6 Ų43.652%0.52326%0.263SS..Hα-helixtrans-67.5-43.8174.6-71.7172.1171.500111.1K656 P657 S662 G663K656-E660 WeakPolarHBondContact CE-OE1 3.27Å; K656-E660 HydrophobicContact CG-CG 4.5Å; K656-E660 IonicContact NZ-OE1 2.93Å; K656-E660 WeakPolarHBondContact O-CG 3.44Å; K656-E660 PolarHBondContact O-N 3.09Å; P657-E660 PolarHBondContact O-N 3.27Å; E660-S662 VanDerWaalsContact C-N 3.29Å; E660-S662 PolarHBondContact O-N 3.18Å; E660-G663 PolarHBondContact O-N 3.3Å
661V89Confident90.2Very high59 Ų5941.6 Ų41.636%0.35825%0.25SS..Hα-helixtrans-66.7-29.8177.9172.40000112.2V601 F608 P657 G663V601-V661 HydrophobicContact CG1-CG1 4.14Å; F608-V661 HydrophobicContact CB-CG1 4.01Å; F608-V661 HydrophobicContact CD2-CG1 3.88Å; F608-V661 HydrophobicContact CG-CG1 4.21Å; P657-V661 WeakPolarHBondContact O-CB 3.45Å; P657-V661 VanDerWaalsContact O-CG2 3.29Å; P657-V661 WeakPolarHBondContact O-CG2 3.36Å; P657-V661 PolarHBondContact O-N 3.05Å; V661-G663 PolarHBondContact O-N 2.77Å
662S87.2Confident90.6Very high15 Ų1541.5 Ų41.511%0.10525%0.25CC..THydrogen-bonded Turntrans-73.4-4.9176.675.80000114.3L658 Y659 E660 S664 D665L658-S662 PolarHBondContact O-N 3.19Å; L658-S662 VanDerWaalsContact O-N 3.13Å; Y659-S662 PolarHBondContact O-OG 3.37Å; E660-S662 VanDerWaalsContact C-N 3.29Å; E660-S662 PolarHBondContact O-N 3.18Å; S662-S664 VanDerWaalsContact C-N 3.32Å; S662-D665 PolarHBondContact OG-N 3.47Å
663G85.9Confident90.9Very high64 Ų6441.1 Ų41.166%0.6625%0.247SC*.THydrogen-bonded Turntrans69.430.7-174.500000112.9E660 V661E660-G663 PolarHBondContact O-N 3.3Å; V661-G663 PolarHBondContact O-N 2.77Å
664S86.3Confident91.1Very high66 Ų6637.8 Ų37.846%0.46224%0.236SC..SBendtrans62.840-177.3-54.10000113.9Y659 S662Y659-S664 PolarHBondContact O-N 3.47Å; Y659-S664 WeakPolarHBondContact OH-CB 3.29Å; S662-S664 VanDerWaalsContact C-N 3.32Å
665D90.1Very high91.3Very high42 Ų4236.8 Ų36.823%0.22523%0.23CC..  trans-67.4135177.1178.9-85.6000112.3K610 S662 E667 V668 A669K610-D665 WeakPolarHBondContact CE-OD1 3.32Å; K610-D665 IonicContact NZ-OD1 2.77Å; K610-D665 PolarHBondContact NZ-OD1 3.37Å; K610-D665 IonicContact NZ-OD2 2.77Å; K610-D665 PolarHBondContact NZ-OD2 3.23Å; S662-D665 PolarHBondContact OG-N 3.47Å; D665-E667 WeakPolarHBondContact OD1-CA 3.4Å; D665-E667 WeakPolarHBondContact OD1-CB 3.27Å; D665-E667 PolarHBondContact OD1-N 3.48Å; D665-V668 HydrophobicContact CB-CB 4.33Å; D665-V668 HydrophobicContact CB-CG2 4.11Å; D665-V668 PolarHBondContact O-N 2.61Å; D665-V668 PolarHBondContact OD1-N 3Å; D665-A669 PolarHBondContact O-N 3.19Å
666G89.3Confident91.5Very high33 Ų3336.7 Ų36.734%0.3423%0.23SC..Hα-helixtrans-70.7-29-175.900000115.5A670 H705G666-A670 WeakPolarHBondContact O-CB 3.37Å; G666-A670 PolarHBondContact O-N 3.16Å; G666-H705 WeakPolarHBondContact CA-CE1 3.42Å
667E92Very high91.6Very high109 Ų10933.1 Ų33.151%0.50922%0.216SC..Hα-helixtrans-73.6-37.9174.7-71.7170.8-132.800110.6K610 L614 D665 A669 A670 S671K610-E667 WeakPolarHBondContact CE-OE1 3.32Å; K610-E667 WeakPolarHBondContact CE-OE2 3.47Å; K610-E667 IonicContact NZ-OE1 2.75Å; K610-E667 PolarHBondContact NZ-OE1 2.85Å; K610-E667 IonicContact NZ-OE2 3.69Å; K610-E667 PolarHBondContact NZ-OE2 2.77Å; L614-E667 HydrophobicContact CD1-CB 4.28Å; L614-E667 HydrophobicContact CD2-CB 4.49Å; D665-E667 WeakPolarHBondContact OD1-CA 3.4Å; D665-E667 WeakPolarHBondContact OD1-CB 3.27Å; D665-E667 PolarHBondContact OD1-N 3.48Å; E667-A669 VanDerWaalsContact C-N 3.35Å; E667-A670 PolarHBondContact O-N 3.19Å; E667-S671 WeakPolarHBondContact O-CB 3.41Å; E667-S671 PolarHBondContact O-N 3.23Å
668V93.3Very high91.6Very high0 Ų031.9 Ų31.90%021%0.208CC..Hα-helixtrans-62.6-44172.2178.90000110.1F608 L614 D665 A670 S671 I672F608-V668 HydrophobicContact CZ-CG2 4.45Å; L614-V668 HydrophobicContact CD2-CG2 4.28Å; D665-V668 HydrophobicContact CB-CB 4.33Å; D665-V668 HydrophobicContact CB-CG2 4.11Å; D665-V668 PolarHBondContact O-N 2.61Å; D665-V668 PolarHBondContact OD1-N 3Å; V668-A670 VanDerWaalsContact C-N 3.34Å; V668-A670 PolarHBondContact O-N 3.4Å; V668-S671 PolarHBondContact O-N 3.25Å; V668-I672 HydrophobicContact CG1-CD1 3.93Å; V668-I672 HydrophobicContact CG1-CG1 4.4Å; V668-I672 VanDerWaalsContact O-CG1 3.28Å; V668-I672 WeakPolarHBondContact O-CG1 3.3Å; V668-I672 PolarHBondContact O-N 2.89Å
669A93.2Very high91.6Very high0 Ų031.9 Ų31.90%021%0.207CC..Hα-helixtrans-57.8-44.3173.400000112.5Y659 D665 E667 I672 C673 L701 H705Y659-A669 HydrophobicContact CD2-CB 4.41Å; Y659-A669 HydrophobicContact CE2-CB 3.89Å; D665-A669 PolarHBondContact O-N 3.19Å; E667-A669 VanDerWaalsContact C-N 3.35Å; A669-I672 PolarHBondContact O-N 3.08Å; A669-C673 PolarHBondContact O-N 3.46Å; A669-L701 HydrophobicContact CB-CD1 4.45Å; A669-L701 HydrophobicContact CB-CD2 3.83Å; A669-H705 HydrophobicContact CB-CB 4.14Å; A669-H705 WeakPolarHBondContact CB-CD2 3.37Å
670A94.3Very high91.6Very high43 Ų4331.2 Ų31.236%0.35521%0.205SC..Hα-helixtrans-63.3-41.5176.800000112.2G666 E667 V668 C673 A674 C707G666-A670 WeakPolarHBondContact O-CB 3.37Å; G666-A670 PolarHBondContact O-N 3.16Å; E667-A670 PolarHBondContact O-N 3.19Å; V668-A670 VanDerWaalsContact C-N 3.34Å; V668-A670 PolarHBondContact O-N 3.4Å; A670-C673 PolarHBondContact O-N 2.96Å; A670-A674 WeakPolarHBondContact O-CB 3.33Å; A670-A674 PolarHBondContact O-N 2.72Å; A670-C707 HydrophobicContact CB-CB 4.29Å
671S93.7Very high91.6Very high12 Ų1230 Ų308%0.08420%0.202CC..Hα-helixtrans-66.9-40.6177.6-167.80000112.1I617 E667 V668 C673 A674 L675I617-S671 WeakPolarHBondContact CG2-OG 3.42Å; E667-S671 WeakPolarHBondContact O-CB 3.41Å; E667-S671 PolarHBondContact O-N 3.23Å; V668-S671 PolarHBondContact O-N 3.25Å; S671-C673 PolarHBondContact O-N 2.73Å; S671-A674 WeakPolarHBondContact O-CB 3.49Å; S671-A674 PolarHBondContact O-N 3.2Å; S671-L675 WeakPolarHBondContact O-CB 3.23Å; S671-L675 PolarHBondContact O-N 3.19Å
672I95Very high91.4Very high0 Ų028 Ų280%019%0.191CC..Hα-helixtrans-59.9-45.5172.1-69.3169.6000111L655 Y659 V668 A669 A674 L675 A676 I697 L701L655-I672 HydrophobicContact CB-CG2 4.21Å; L655-I672 HydrophobicContact CD1-CG2 4.08Å; L655-I672 HydrophobicContact CD2-CG1 4.3Å; L655-I672 HydrophobicContact CD2-CG2 4.21Å; L655-I672 HydrophobicContact CG-CG2 4.37Å; Y659-I672 HydrophobicContact CD2-CD1 4.44Å; V668-I672 HydrophobicContact CG1-CD1 3.93Å; V668-I672 HydrophobicContact CG1-CG1 4.4Å; V668-I672 VanDerWaalsContact O-CG1 3.28Å; V668-I672 WeakPolarHBondContact O-CG1 3.3Å; V668-I672 PolarHBondContact O-N 2.89Å; A669-I672 PolarHBondContact O-N 3.08Å; I672-A674 VanDerWaalsContact C-N 3.35Å; I672-A674 PolarHBondContact O-N 3.36Å; I672-L675 WeakPolarHBondContact O-CB 3.23Å; I672-L675 PolarHBondContact O-N 3.45Å; I672-A676 WeakPolarHBondContact O-CB 3.47Å; I672-A676 PolarHBondContact O-N 3.28Å; I672-I697 HydrophobicContact CG2-CG2 4.08Å; I672-L701 HydrophobicContact CB-CD1 4.32Å; I672-L701 HydrophobicContact CG2-CD1 3.98Å
673C94.2Very high91.5Very high5 Ų527.4 Ų27.43%0.03419%0.186CC..Hα-helixtrans-62.1-40.6174.6-84.70000112.3A669 A670 S671 L675 A676 N677 L701 C707A669-C673 PolarHBondContact O-N 3.46Å; A670-C673 PolarHBondContact O-N 2.96Å; S671-C673 PolarHBondContact O-N 2.73Å; C673-L675 VanDerWaalsContact C-N 3.33Å; C673-A676 PolarHBondContact O-N 3.4Å; C673-N677 WeakPolarHBondContact O-CB 3.15Å; C673-N677 PolarHBondContact O-N 2.81Å; C673-L701 WeakPolarHBondContact SG-CD1 3.48Å; C673-C707 HydrophobicContact CB-CB 4.31Å
674A94.5Very high91.6Very high43 Ų4330.7 Ų30.736%0.35518%0.183SC..Hα-helixtrans-63.8-39.917700000111.7I621 A670 S671 I672 T678I621-A674 HydrophobicContact CD1-CB 4.03Å; A670-A674 WeakPolarHBondContact O-CB 3.33Å; A670-A674 PolarHBondContact O-N 2.72Å; S671-A674 WeakPolarHBondContact O-CB 3.49Å; S671-A674 PolarHBondContact O-N 3.2Å; I672-A674 VanDerWaalsContact C-N 3.35Å; I672-A674 PolarHBondContact O-N 3.36Å; A674-T678 WeakPolarHBondContact O-CB 3.39Å; A674-T678 PolarHBondContact O-N 2.89Å; A674-T678 PolarHBondContact O-OG1 3Å
675L93.6Very high91.6Very high2 Ų230.1 Ų30.11%0.0118%0.178CC..Hα-helixtrans-62.8-53.4173.5174.461.1000111.7I617 V620 I621 I624 L651 L655 S671 I672 C673 N677 T678 L679I617-L675 HydrophobicContact CG2-CB 4.22Å; I617-L675 HydrophobicContact CG2-CD2 4.26Å; V620-L675 HydrophobicContact CG1-CD1 3.92Å; I621-L675 HydrophobicContact CD1-CB 4.07Å; I621-L675 HydrophobicContact CG1-CB 3.9Å; I621-L675 HydrophobicContact CG1-CD1 3.82Å; I621-L675 HydrophobicContact CG1-CG 4.47Å; I624-L675 HydrophobicContact CD1-CD1 3.31Å; L651-L675 HydrophobicContact CD1-CD2 4.32Å; L651-L675 HydrophobicContact CD2-CD1 4.05Å; L651-L675 HydrophobicContact CD2-CD2 3.91Å; L651-L675 HydrophobicContact CD2-CG 4.37Å; L651-L675 HydrophobicContact CG-CD2 4.17Å; L655-L675 HydrophobicContact CD2-CD2 3.77Å; S671-L675 WeakPolarHBondContact O-CB 3.23Å; S671-L675 PolarHBondContact O-N 3.19Å; I672-L675 WeakPolarHBondContact O-CB 3.23Å; I672-L675 PolarHBondContact O-N 3.45Å; C673-L675 VanDerWaalsContact C-N 3.33Å; L675-N677 VanDerWaalsContact C-N 3.27Å; L675-N677 PolarHBondContact O-N 3.18Å; L675-T678 WeakPolarHBondContact O-CB 3.34Å; L675-T678 PolarHBondContact O-N 3.41Å; L675-T678 VanDerWaalsContact O-N 3.09Å; L675-L679 HydrophobicContact CD1-CD1 4.32Å; L675-L679 HydrophobicContact CD1-CG 4.41Å; L675-L679 HydrophobicContact CG-CD1 4.27Å; L675-L679 WeakPolarHBondContact O-CG 3.33Å; L675-L679 PolarHBondContact O-N 3.36Å
676A93.3Very high91.5Very high0 Ų030.7 Ų30.70%018%0.181CC..Hα-helixtrans-57.7-41177.700000112.1I672 C673 L679 L680 F694 I697 F711I672-A676 WeakPolarHBondContact O-CB 3.47Å; I672-A676 PolarHBondContact O-N 3.28Å; C673-A676 PolarHBondContact O-N 3.4Å; A676-L679 WeakPolarHBondContact O-CB 3.22Å; A676-L679 PolarHBondContact O-N 3.37Å; A676-L680 WeakPolarHBondContact O-CB 3.48Å; A676-L680 PolarHBondContact O-N 3.08Å; A676-F694 HydrophobicContact CB-CD1 4.42Å; A676-F694 HydrophobicContact CB-CE1 4.4Å; A676-I697 HydrophobicContact CB-CD1 4.07Å; A676-F711 HydrophobicContact CB-CD2 4.3Å; A676-F711 HydrophobicContact CB-CE1 4.26Å; A676-F711 HydrophobicContact CB-CE2 3.79Å; A676-F711 HydrophobicContact CB-CZ 3.75Å
677N94.1Very high91.5Very high34 Ų3429.1 Ų29.118%0.18217%0.165CC..Hα-helixtrans-68.5-37.4176.5-17259.2000112.6C673 L675 L680 L681 F711 N714C673-N677 WeakPolarHBondContact O-CB 3.15Å; C673-N677 PolarHBondContact O-N 2.81Å; L675-N677 VanDerWaalsContact C-N 3.27Å; L675-N677 PolarHBondContact O-N 3.18Å; N677-L680 PolarHBondContact O-N 3.1Å; N677-L681 WeakPolarHBondContact O-CB 3.28Å; N677-L681 VanDerWaalsContact O-CG 3.28Å; N677-L681 WeakPolarHBondContact O-CG 3.41Å; N677-L681 PolarHBondContact O-N 3.43Å; N677-F711 HydrophobicContact CB-CB 4.26Å; N677-F711 HydrophobicContact CB-CD2 3.76Å; N677-F711 HydrophobicContact CB-CG 4.41Å; N677-N714 PolarHBondContact OD1-ND2 3.04Å
678T91.8Very high91.5Very high16 Ų1626 Ų2610%0.09815%0.151CC..Hα-helixtrans-64.9-42.7175.9-60.90000110.9I621 I624 K625 A674 L675 L681 A682I621-T678 HydrophobicContact CG2-CG2 4.17Å; I624-T678 HydrophobicContact CB-CG2 4.11Å; I624-T678 HydrophobicContact CG2-CG2 3.78Å; K625-T678 HydrophobicContact CD-CG2 4.46Å; K625-T678 HydrophobicContact CG-CG2 3.56Å; A674-T678 WeakPolarHBondContact O-CB 3.39Å; A674-T678 PolarHBondContact O-N 2.89Å; A674-T678 PolarHBondContact O-OG1 3Å; L675-T678 WeakPolarHBondContact O-CB 3.34Å; L675-T678 PolarHBondContact O-N 3.41Å; L675-T678 VanDerWaalsContact O-N 3.09Å; T678-L681 PolarHBondContact O-N 3.06Å; T678-A682 VanDerWaalsContact O-CB 3.27Å; T678-A682 WeakPolarHBondContact O-CB 3.33Å; T678-A682 PolarHBondContact O-N 2.87Å
679L90.5Very high91.3Very high1 Ų130.1 Ų30.11%0.00518%0.178CC..Hα-helixtrans-58.2-49.5173.6-71.3168.5000111.9I624 V648 L675 A676 L681 A682 L683I624-L679 HydrophobicContact CB-CD2 4.5Å; I624-L679 HydrophobicContact CD1-CD2 3.42Å; I624-L679 VanDerWaalsContact CD1-CD2 3.42Å; I624-L679 HydrophobicContact CD1-CG 3.88Å; I624-L679 HydrophobicContact CG1-CD2 3.9Å; I624-L679 HydrophobicContact CG2-CD2 3.78Å; I624-L679 HydrophobicContact CG2-CG 4.39Å; V648-L679 HydrophobicContact CB-CD2 4.09Å; V648-L679 HydrophobicContact CG1-CD1 3.55Å; V648-L679 HydrophobicContact CG1-CD2 3.58Å; V648-L679 HydrophobicContact CG1-CG 4.13Å; V648-L679 HydrophobicContact CG2-CD2 3.28Å; L675-L679 HydrophobicContact CD1-CD1 4.32Å; L675-L679 HydrophobicContact CD1-CG 4.41Å; L675-L679 HydrophobicContact CG-CD1 4.27Å; L675-L679 WeakPolarHBondContact O-CG 3.33Å; L675-L679 PolarHBondContact O-N 3.36Å; A676-L679 WeakPolarHBondContact O-CB 3.22Å; A676-L679 PolarHBondContact O-N 3.37Å; L679-L681 VanDerWaalsContact C-N 3.34Å; L679-L681 PolarHBondContact O-N 3.37Å; L679-A682 PolarHBondContact O-N 2.85Å; L679-L683 PolarHBondContact O-N 3.5Å
680L92Very high91.2Very high0 Ų030.2 Ų30.20%018%0.178CC..Hα-helixtrans-57.7-46177.6176.673.2000111.8A676 N677 K684 A687 F694 F711 N714 V715 L718 F719A676-L680 WeakPolarHBondContact O-CB 3.48Å; A676-L680 PolarHBondContact O-N 3.08Å; N677-L680 PolarHBondContact O-N 3.1Å; L680-K684 WeakPolarHBondContact O-CA 3.39Å; L680-K684 PolarHBondContact O-N 3.13Å; L680-A687 HydrophobicContact CD1-CB 4.17Å; L680-F694 HydrophobicContact CB-CE2 4.26Å; L680-F694 HydrophobicContact CB-CZ 4.12Å; L680-F694 HydrophobicContact CD1-CD2 4.4Å; L680-F694 HydrophobicContact CD1-CE2 3.73Å; L680-F694 HydrophobicContact CD1-CZ 4.4Å; L680-F711 HydrophobicContact CB-CE2 4.4Å; L680-F711 HydrophobicContact CD2-CD2 4.3Å; L680-F711 HydrophobicContact CD2-CE2 4.15Å; L680-N714 HydrophobicContact CD2-CB 3.67Å; L680-V715 HydrophobicContact CD1-CG2 4.29Å; L680-V715 HydrophobicContact CD2-CB 4.32Å; L680-V715 HydrophobicContact CD2-CG2 3.57Å; L680-L718 HydrophobicContact CD1-CD1 3.71Å; L680-L718 HydrophobicContact CD2-CD1 4.06Å; L680-L718 HydrophobicContact CG-CD1 3.59Å; L680-F719 HydrophobicContact CD1-CE2 3.91Å; L680-F719 HydrophobicContact CD1-CZ 3.72Å
681L90.4Very high91.1Very high87 Ų8728.7 Ų28.746%0.45516%0.164SC..Hα-helixtrans-73.7-31.7-177.9-67.6177.2000112.9N677 T678 L679 K684N677-L681 WeakPolarHBondContact O-CB 3.28Å; N677-L681 VanDerWaalsContact O-CG 3.28Å; N677-L681 WeakPolarHBondContact O-CG 3.41Å; N677-L681 PolarHBondContact O-N 3.43Å; T678-L681 PolarHBondContact O-N 3.06Å; L679-L681 VanDerWaalsContact C-N 3.34Å; L679-L681 PolarHBondContact O-N 3.37Å; L681-K684 WeakPolarHBondContact O-CG 3.38Å
682A85.2Confident91.1Very high15 Ų1534.9 Ų34.912%0.12419%0.191CC..Hα-helixtrans-66.2-46.1175.300000111.7I624 A628 L631 T678 L679I624-A682 HydrophobicContact CG2-CB 3.91Å; A628-A682 HydrophobicContact CB-CB 3.66Å; L631-A682 WeakPolarHBondContact CD1-O 3.43Å; T678-A682 VanDerWaalsContact O-CB 3.27Å; T678-A682 WeakPolarHBondContact O-CB 3.33Å; T678-A682 PolarHBondContact O-N 2.87Å; L679-A682 PolarHBondContact O-N 2.85Å
683L88.3Confident91Very high3 Ų336.3 Ų36.32%0.01620%0.201CC..Hα-helixtrans-90.3-19.4-176-72.2171.3000113.6L631 T644 L645 L679 C685 D686 A687 L690L631-L683 HydrophobicContact CD1-CD2 3.92Å; T644-L683 HydrophobicContact CG2-CD1 4.19Å; T644-L683 HydrophobicContact CG2-CD2 3.88Å; T644-L683 HydrophobicContact CG2-CG 4.22Å; L645-L683 HydrophobicContact CD2-CD1 3.91Å; L679-L683 PolarHBondContact O-N 3.5Å; L683-C685 PolarHBondContact O-N 3.18Å; L683-D686 HydrophobicContact CB-CB 4.5Å; L683-D686 VanDerWaalsContact O-CB 3.29Å; L683-D686 WeakPolarHBondContact O-CB 3.39Å; L683-D686 PolarHBondContact O-N 3.1Å; L683-A687 HydrophobicContact CB-CB 3.73Å; L683-A687 HydrophobicContact CD1-CB 4.37Å; L683-L690 HydrophobicContact CD1-CD1 4.02Å
684K88.5Confident91Very high133 Ų13336.1 Ų36.158%0.57820%0.2SC*.G310 helixtrans51.8-123.9-178-56.1177.9-177.7171.70111.2L680 L681 D686 A687 L718L680-K684 WeakPolarHBondContact O-CA 3.39Å; L680-K684 PolarHBondContact O-N 3.13Å; L681-K684 WeakPolarHBondContact O-CG 3.38Å; K684-D686 PolarHBondContact O-N 2.95Å; K684-A687 VanDerWaalsContact O-CB 3.31Å; K684-A687 WeakPolarHBondContact O-CB 2.96Å; K684-A687 PolarHBondContact O-N 3.48Å; K684-L718 HydrophobicContact CB-CD2 4.38Å
685C86.9Confident90.9Very high55 Ų5534.5 Ų34.537%0.37219%0.186SC..G310 helixtrans-64.5-25.4177.8-63.90000112.8L683 A687 M688L683-C685 PolarHBondContact O-N 3.18Å; C685-A687 PolarHBondContact O-N 2.91Å; C685-M688 VanDerWaalsContact O-CG 3.25Å; C685-M688 WeakPolarHBondContact O-CG 3.3Å; C685-M688 PolarHBondContact O-N 3.07Å
686D87.9Confident90.9Very high54 Ų5437 Ų3729%0.28920%0.201SC..G310 helixtrans-72.3-8.6178.8-55.8-56.4000112.1K637 V641 L683 K684 M688 P689K637-D686 WeakPolarHBondContact CE-OD2 3.45Å; K637-D686 IonicContact NZ-OD1 3.78Å; K637-D686 IonicContact NZ-OD2 3.14Å; K637-D686 PolarHBondContact NZ-OD2 3.36Å; V641-D686 HydrophobicContact CG1-CB 3.77Å; V641-D686 HydrophobicContact CG2-CB 4.08Å; L683-D686 HydrophobicContact CB-CB 4.5Å; L683-D686 VanDerWaalsContact O-CB 3.29Å; L683-D686 WeakPolarHBondContact O-CB 3.39Å; L683-D686 PolarHBondContact O-N 3.1Å; K684-D686 PolarHBondContact O-N 2.95Å; D686-M688 VanDerWaalsContact C-N 3.26Å; D686-M688 PolarHBondContact O-N 3.13Å; D686-P689 VanDerWaalsContact O-CD 3.3Å; D686-P689 WeakPolarHBondContact O-CD 3.45Å
687A89.9Confident90.9Very high0 Ų037.4 Ų37.40%020%0.203CC..G310 helixtrans-78.6-2.3173.500000113.9L680 L683 K684 C685 P689 L690 F694 F719L680-A687 HydrophobicContact CD1-CB 4.17Å; L683-A687 HydrophobicContact CB-CB 3.73Å; L683-A687 HydrophobicContact CD1-CB 4.37Å; K684-A687 VanDerWaalsContact O-CB 3.31Å; K684-A687 WeakPolarHBondContact O-CB 2.96Å; K684-A687 PolarHBondContact O-N 3.48Å; C685-A687 PolarHBondContact O-N 2.91Å; A687-P689 VanDerWaalsContact C-N 3.3Å; A687-L690 WeakPolarHBondContact O-CA 3.5Å; A687-L690 WeakPolarHBondContact O-CB 3.44Å; A687-L690 PolarHBondContact O-N 3.22Å; A687-F694 HydrophobicContact CB-CE2 4.17Å; A687-F694 HydrophobicContact CB-CZ 4.43Å; A687-F719 HydrophobicContact CB-CZ 4.01Å
688M90.3Very high90.9Very high43 Ų4335.8 Ų35.821%0.21220%0.195CC..G310 helixtrans-49.7-40.3-179.3-83.8176.566.800115C685 D686 L690 L691 F719 H722 E724 C725C685-M688 VanDerWaalsContact O-CG 3.25Å; C685-M688 WeakPolarHBondContact O-CG 3.3Å; C685-M688 PolarHBondContact O-N 3.07Å; D686-M688 VanDerWaalsContact C-N 3.26Å; D686-M688 PolarHBondContact O-N 3.13Å; M688-L690 PolarHBondContact O-N 2.98Å; M688-L690 VanDerWaalsContact O-N 3.12Å; M688-L691 VanDerWaalsContact O-CB 3.25Å; M688-L691 WeakPolarHBondContact O-CB 3.41Å; M688-L691 PolarHBondContact O-N 3.01Å; M688-F719 HydrophobicContact CB-CE1 4.47Å; M688-F719 HydrophobicContact CG-CD1 3.78Å; M688-F719 HydrophobicContact CG-CE1 3.57Å; M688-F719 HydrophobicContact CG-CZ 4.14Å; M688-H722 HydrophobicContact CE-CB 4.21Å; M688-H722 HydrophobicContact SD-CB 4.37Å; M688-H722 PolarHBondContact SD-ND1 3.34Å; M688-E724 HydrophobicContact CE-CG 3.38Å; M688-E724 WeakPolarHBondContact CE-OE1 3.43Å; M688-C725 VanDerWaalsContact CE-SG 3.57Å
689P90.1Very high90.9Very high87 Ų8738.5 Ų38.557%0.56521%0.206SC*.G310 helixtrans-59.6-23.1176.1-25.536.7000114L645 D686 A687 L691L645-P689 HydrophobicContact CD1-CG 4.08Å; D686-P689 VanDerWaalsContact O-CD 3.3Å; D686-P689 WeakPolarHBondContact O-CD 3.45Å; A687-P689 VanDerWaalsContact C-N 3.3Å; P689-L691 VanDerWaalsContact C-N 3.35Å
690L91.6Very high91.1Very high1 Ų140.5 Ų40.51%0.00522%0.216CC..G310 helixtrans-87.5-1.3178.9-56.5175.7000113L645 V648 I649 L683 A687 M688 H692 S693 F694L645-L690 HydrophobicContact CD2-CD1 4Å; L645-L690 HydrophobicContact CD2-CD2 4.22Å; L645-L690 HydrophobicContact CD2-CG 3.88Å; V648-L690 HydrophobicContact CG1-CD1 3.74Å; V648-L690 HydrophobicContact CG1-CD2 4.26Å; I649-L690 HydrophobicContact CG1-CD2 3.89Å; L683-L690 HydrophobicContact CD1-CD1 4.02Å; A687-L690 WeakPolarHBondContact O-CA 3.5Å; A687-L690 WeakPolarHBondContact O-CB 3.44Å; A687-L690 PolarHBondContact O-N 3.22Å; M688-L690 PolarHBondContact O-N 2.98Å; M688-L690 VanDerWaalsContact O-N 3.12Å; L690-H692 VanDerWaalsContact C-N 3.26Å; L690-H692 PolarHBondContact O-N 3.09Å; L690-S693 WeakPolarHBondContact O-CA 3.42Å; L690-S693 WeakPolarHBondContact O-CB 3.39Å; L690-S693 PolarHBondContact O-N 3.43Å; L690-F694 HydrophobicContact CB-CD1 4.48Å; L690-F694 HydrophobicContact CB-CD2 4.34Å; L690-F694 HydrophobicContact CB-CE1 4Å; L690-F694 HydrophobicContact CB-CE2 3.81Å; L690-F694 HydrophobicContact CB-CZ 3.63Å; L690-F694 HydrophobicContact CD1-CE1 4.46Å; L690-F694 HydrophobicContact CD1-CZ 4.02Å; L690-F694 WeakPolarHBondContact O-CD2 3.44Å; L690-F694 VanDerWaalsContact O-CG 3.27Å; L690-F694 WeakPolarHBondContact O-CG 3.49Å; L690-F694 PolarHBondContact O-N 3.14Å
691L92.4Very high91.2Very high12 Ų1240.5 Ų40.56%0.06322%0.216CC..Hα-helixtrans-56.6-41-177.1179.358000112M688 P689 S693 F694 V695 V715 F719 C725M688-L691 VanDerWaalsContact O-CB 3.25Å; M688-L691 WeakPolarHBondContact O-CB 3.41Å; M688-L691 PolarHBondContact O-N 3.01Å; P689-L691 VanDerWaalsContact C-N 3.35Å; L691-S693 PolarHBondContact O-N 2.89Å; L691-F694 WeakPolarHBondContact O-CB 3.07Å; L691-F694 PolarHBondContact O-N 3.06Å; L691-V695 HydrophobicContact CD1-CG2 4.41Å; L691-V695 VanDerWaalsContact O-CG2 3.26Å; L691-V695 WeakPolarHBondContact O-CG2 3.34Å; L691-V695 PolarHBondContact O-N 3.47Å; L691-V715 HydrophobicContact CD1-CG1 3.77Å; L691-F719 HydrophobicContact CB-CE2 4.49Å; L691-F719 HydrophobicContact CD1-CD2 3.94Å; L691-F719 HydrophobicContact CD1-CE2 4.12Å; L691-C725 HydrophobicContact CD2-CB 3.66Å
692H92.4Very high91.2Very high142 Ų14236.4 Ų36.466%0.65720%0.195SC*.Hα-helixtrans-62.5-42.7176.5-177.764.1000112.1L690 F694 V695 T696L690-H692 VanDerWaalsContact C-N 3.26Å; L690-H692 PolarHBondContact O-N 3.09Å; H692-F694 VanDerWaalsContact C-N 3.33Å; H692-F694 PolarHBondContact O-N 3.46Å; H692-V695 PolarHBondContact O-N 3.43Å; H692-T696 PolarHBondContact O-N 3.21Å; H692-T696 PolarHBondContact O-OG1 2.8Å
693S92.6Very high91.2Very high29 Ų2938.7 Ų38.720%0.20321%0.208CC..Hα-helixtrans-62.9-41.2174.9-49.60000111.2L690 L691 V695 T696 I697L690-S693 WeakPolarHBondContact O-CA 3.42Å; L690-S693 WeakPolarHBondContact O-CB 3.39Å; L690-S693 PolarHBondContact O-N 3.43Å; L691-S693 PolarHBondContact O-N 2.89Å; S693-V695 PolarHBondContact O-N 3.04Å; S693-T696 WeakPolarHBondContact O-CB 3.23Å; S693-T696 PolarHBondContact O-N 2.91Å; S693-I697 WeakPolarHBondContact O-CD1 3.39Å; S693-I697 VanDerWaalsContact O-CG1 3.22Å; S693-I697 WeakPolarHBondContact O-CG1 3.33Å; S693-I697 PolarHBondContact O-N 3.49Å
694F94Very high91Very high1 Ų142.8 Ų42.80%0.00424%0.235CC..Hα-helixtrans-61.8-42.9175.3-62.9-25.8000112.6A676 L680 A687 L690 L691 H692 T696 I697 V698 F711 V715 F719A676-F694 HydrophobicContact CB-CD1 4.42Å; A676-F694 HydrophobicContact CB-CE1 4.4Å; L680-F694 HydrophobicContact CB-CE2 4.26Å; L680-F694 HydrophobicContact CB-CZ 4.12Å; L680-F694 HydrophobicContact CD1-CD2 4.4Å; L680-F694 HydrophobicContact CD1-CE2 3.73Å; L680-F694 HydrophobicContact CD1-CZ 4.4Å; A687-F694 HydrophobicContact CB-CE2 4.17Å; A687-F694 HydrophobicContact CB-CZ 4.43Å; L690-F694 HydrophobicContact CB-CD1 4.48Å; L690-F694 HydrophobicContact CB-CD2 4.34Å; L690-F694 HydrophobicContact CB-CE1 4Å; L690-F694 HydrophobicContact CB-CE2 3.81Å; L690-F694 HydrophobicContact CB-CZ 3.63Å; L690-F694 HydrophobicContact CD1-CE1 4.46Å; L690-F694 HydrophobicContact CD1-CZ 4.02Å; L690-F694 WeakPolarHBondContact O-CD2 3.44Å; L690-F694 VanDerWaalsContact O-CG 3.27Å; L690-F694 WeakPolarHBondContact O-CG 3.49Å; L690-F694 PolarHBondContact O-N 3.14Å; L691-F694 WeakPolarHBondContact O-CB 3.07Å; L691-F694 PolarHBondContact O-N 3.06Å; H692-F694 VanDerWaalsContact C-N 3.33Å; H692-F694 PolarHBondContact O-N 3.46Å; F694-T696 VanDerWaalsContact C-N 3.32Å; F694-T696 PolarHBondContact O-N 3.05Å; F694-I697 HydrophobicContact CD1-CD1 4.32Å; F694-I697 PolarHBondContact O-N 2.97Å; F694-V698 WeakPolarHBondContact O-CG2 3.43Å; F694-V698 PolarHBondContact O-N 3.02Å; F694-V698 VanDerWaalsContact O-N 3.1Å; F694-F711 HydrophobicContact CB-CE1 4.23Å; F694-F711 HydrophobicContact CB-CZ 3.67Å; F694-F711 HydrophobicContact CD1-CE2 4.18Å; F694-F711 AromaticContact CD1-CZ 3.58Å; F694-F711 HydrophobicContact CD1-CZ 3.58Å; F694-F711 HydrophobicContact CD2-CZ 4.32Å; F694-F711 HydrophobicContact CE1-CE2 4.45Å; F694-F711 HydrophobicContact CE1-CZ 4.26Å; F694-F711 HydrophobicContact CG-CE2 4.29Å; F694-F711 AromaticContact CG-CZ 3.6Å; F694-F711 HydrophobicContact CG-CZ 3.6Å; F694-V715 HydrophobicContact CD2-CG2 4.35Å; F694-F719 HydrophobicContact CD2-CE2 4.44Å; F694-F719 HydrophobicContact CE2-CE2 4.49Å
695V93.1Very high91.1Very high10 Ų1038 Ų386%0.06122%0.215CC..Hα-helixtrans-60.6-44.6173.6173.60000110.8L691 H692 S693 I697 V698 Q699 Y731 V732L691-V695 HydrophobicContact CD1-CG2 4.41Å; L691-V695 VanDerWaalsContact O-CG2 3.26Å; L691-V695 WeakPolarHBondContact O-CG2 3.34Å; L691-V695 PolarHBondContact O-N 3.47Å; H692-V695 PolarHBondContact O-N 3.43Å; S693-V695 PolarHBondContact O-N 3.04Å; V695-I697 VanDerWaalsContact C-N 3.33Å; V695-I697 PolarHBondContact O-N 3.34Å; V695-V698 WeakPolarHBondContact O-CB 3.47Å; V695-V698 PolarHBondContact O-N 3.35Å; V695-Q699 WeakPolarHBondContact O-CG 3.48Å; V695-Q699 PolarHBondContact O-N 3.3Å; V695-Y731 HydrophobicContact CG1-CD1 4.31Å; V695-Y731 HydrophobicContact CG1-CE1 4.22Å; V695-V732 HydrophobicContact CB-CG2 4.03Å; V695-V732 HydrophobicContact CG1-CG2 3.66Å; V695-V732 HydrophobicContact CG2-CG2 3.48Å; V695-V732 VanDerWaalsContact CG2-CG2 3.48Å
696T93.2Very high91.2Very high55 Ų5537.6 Ų37.634%0.33721%0.211SC..Hα-helixtrans-62.9-40.3179.6-54.60000111.5H692 S693 F694 V698 Q699 L700H692-T696 PolarHBondContact O-N 3.21Å; H692-T696 PolarHBondContact O-OG1 2.8Å; S693-T696 WeakPolarHBondContact O-CB 3.23Å; S693-T696 PolarHBondContact O-N 2.91Å; F694-T696 VanDerWaalsContact C-N 3.32Å; F694-T696 PolarHBondContact O-N 3.05Å; T696-V698 VanDerWaalsContact C-N 3.34Å; T696-V698 PolarHBondContact O-N 3.47Å; T696-Q699 PolarHBondContact O-N 2.95Å; T696-L700 WeakPolarHBondContact O-CB 3.44Å; T696-L700 PolarHBondContact O-N 3.16Å
697I93.1Very high91.3Very high7 Ų736.5 Ų36.54%0.03621%0.207CC..Hα-helixtrans-62.2-41.9175.4-68.6161.3000110.9L655 I672 A676 S693 F694 V695 Q699 L700 L701L655-I697 HydrophobicContact CD1-CD1 3.48Å; L655-I697 VanDerWaalsContact CD1-CD1 3.48Å; L655-I697 HydrophobicContact CD1-CG1 3.94Å; I672-I697 HydrophobicContact CG2-CG2 4.08Å; A676-I697 HydrophobicContact CB-CD1 4.07Å; S693-I697 WeakPolarHBondContact O-CD1 3.39Å; S693-I697 VanDerWaalsContact O-CG1 3.22Å; S693-I697 WeakPolarHBondContact O-CG1 3.33Å; S693-I697 PolarHBondContact O-N 3.49Å; F694-I697 HydrophobicContact CD1-CD1 4.32Å; F694-I697 PolarHBondContact O-N 2.97Å; V695-I697 VanDerWaalsContact C-N 3.33Å; V695-I697 PolarHBondContact O-N 3.34Å; I697-Q699 PolarHBondContact O-N 3.44Å; I697-L700 WeakPolarHBondContact O-CB 3.33Å; I697-L700 PolarHBondContact O-N 3.48Å; I697-L701 HydrophobicContact CG2-CD1 3.8Å; I697-L701 HydrophobicContact CG2-CG 4.37Å; I697-L701 WeakPolarHBondContact O-CG 3.34Å; I697-L701 PolarHBondContact O-N 2.93Å
698V94.1Very high91.5Very high1 Ų136.5 Ų36.51%0.00621%0.207CC..Hα-helixtrans-62.6-44.6176.4174.40000111.3F694 V695 T696 L700 L701 F702 F711 M712 V732 Y735 L736F694-V698 WeakPolarHBondContact O-CG2 3.43Å; F694-V698 PolarHBondContact O-N 3.02Å; F694-V698 VanDerWaalsContact O-N 3.1Å; V695-V698 WeakPolarHBondContact O-CB 3.47Å; V695-V698 PolarHBondContact O-N 3.35Å; T696-V698 VanDerWaalsContact C-N 3.34Å; T696-V698 PolarHBondContact O-N 3.47Å; V698-L700 VanDerWaalsContact C-N 3.27Å; V698-L700 PolarHBondContact O-N 3.42Å; V698-L701 PolarHBondContact O-N 2.85Å; V698-F702 WeakPolarHBondContact O-CB 3.42Å; V698-F702 PolarHBondContact O-N 3.33Å; V698-F711 HydrophobicContact CG2-CD1 4.43Å; V698-F711 HydrophobicContact CG2-CE1 4.2Å; V698-M712 HydrophobicContact CG2-CG 3.38Å; V698-M712 HydrophobicContact CG2-SD 3.32Å; V698-M712 WeakPolarHBondContact CG2-SD 3.37Å; V698-V732 HydrophobicContact CG1-CG1 4.21Å; V698-Y735 HydrophobicContact CG1-CD1 4.43Å; V698-Y735 HydrophobicContact CG1-CE1 4.38Å; V698-L736 HydrophobicContact CG1-CD2 3.73Å; V698-L736 HydrophobicContact CG1-CG 4.37Å
699Q93.4Very high91.7Very high73 Ų7334.6 Ų34.634%0.34120%0.198SC..Hα-helixtrans-65.9-32.2178.2-69174-40.600112.4V695 T696 I697 Y731 Y735V695-Q699 WeakPolarHBondContact O-CG 3.48Å; V695-Q699 PolarHBondContact O-N 3.3Å; T696-Q699 PolarHBondContact O-N 2.95Å; I697-Q699 PolarHBondContact O-N 3.44Å; Q699-Y731 PolarHBondContact NE2-OH 3.03Å; Q699-Y735 HydrophobicContact CG-CE1 4.32Å; Q699-Y735 HydrophobicContact CG-CE2 4.39Å
700L93.4Very high91.8Very high42 Ų4233 Ų3322%0.2219%0.188CC..Hα-helixtrans-69.1-42.8176.7178.769.4000112.1K656 Y659 T696 I697 V698K656-L700 HydrophobicContact CB-CD1 4.42Å; K656-L700 HydrophobicContact CB-CD2 3.95Å; K656-L700 HydrophobicContact CD-CD1 4.48Å; K656-L700 HydrophobicContact CG-CD1 3.98Å; K656-L700 HydrophobicContact CG-CD2 4.41Å; Y659-L700 HydrophobicContact CD1-CD1 3.85Å; Y659-L700 HydrophobicContact CD1-CD2 4.1Å; Y659-L700 HydrophobicContact CD1-CG 3.74Å; Y659-L700 HydrophobicContact CE1-CD1 4.38Å; Y659-L700 HydrophobicContact CE1-CG 4.24Å; Y659-L700 HydrophobicContact CG-CD2 4.41Å; Y659-L700 HydrophobicContact CG-CG 4.49Å; T696-L700 WeakPolarHBondContact O-CB 3.44Å; T696-L700 PolarHBondContact O-N 3.16Å; I697-L700 WeakPolarHBondContact O-CB 3.33Å; I697-L700 PolarHBondContact O-N 3.48Å; V698-L700 VanDerWaalsContact C-N 3.27Å; V698-L700 PolarHBondContact O-N 3.42Å
701L93.7Very high91.9Very high0 Ų033.2 Ų33.20%019%0.188CC..Hα-helixtrans-94.4-24.3-170.4-60.6-178.9000113.7Y659 A669 I672 C673 I697 V698 P703 H705 V708Y659-L701 HydrophobicContact CD1-CD2 4.01Å; Y659-L701 HydrophobicContact CD2-CD2 3.66Å; Y659-L701 HydrophobicContact CE1-CD2 3.99Å; Y659-L701 HydrophobicContact CE2-CD2 3.66Å; Y659-L701 HydrophobicContact CG-CD2 3.83Å; A669-L701 HydrophobicContact CB-CD1 4.45Å; A669-L701 HydrophobicContact CB-CD2 3.83Å; I672-L701 HydrophobicContact CB-CD1 4.32Å; I672-L701 HydrophobicContact CG2-CD1 3.98Å; C673-L701 WeakPolarHBondContact SG-CD1 3.48Å; I697-L701 HydrophobicContact CG2-CD1 3.8Å; I697-L701 HydrophobicContact CG2-CG 4.37Å; I697-L701 WeakPolarHBondContact O-CG 3.34Å; I697-L701 PolarHBondContact O-N 2.93Å; V698-L701 PolarHBondContact O-N 2.85Å; L701-P703 CarbonylContact O-C 3.37Å; L701-H705 WeakPolarHBondContact O-CB 3.47Å; L701-H705 PolarHBondContact O-CD2 2.91Å; L701-H705 PolarHBondContact O-N 3.26Å; L701-V708 HydrophobicContact CB-CG1 3.82Å; L701-V708 HydrophobicContact CD1-CG1 4.5Å
702F92Very high92Very high2 Ų232.7 Ų32.71%0.00919%0.185CC..THydrogen-bonded Turntrans-123130.5-176.5-175.6-103000112.6V698 V708 F709 Y735 L736 N739 V740 L752V698-F702 WeakPolarHBondContact O-CB 3.42Å; V698-F702 PolarHBondContact O-N 3.33Å; F702-V708 HydrophobicContact CB-CG1 4.02Å; F702-V708 HydrophobicContact CB-CG2 3.76Å; F702-V708 HydrophobicContact CD2-CG2 4.22Å; F702-V708 HydrophobicContact CG-CG2 4Å; F702-F709 HydrophobicContact CE1-CZ 4.44Å; F702-F709 HydrophobicContact CE2-CE2 4.17Å; F702-F709 HydrophobicContact CE2-CZ 4.19Å; F702-F709 HydrophobicContact CZ-CE2 4.43Å; F702-F709 AromaticContact CZ-CZ 4Å; F702-F709 HydrophobicContact CZ-CZ 4Å; F702-Y735 HydrophobicContact CD1-CE1 4.17Å; F702-Y735 PolarHBondContact O-OH 3.08Å; F702-L736 HydrophobicContact CD1-CD2 3.5Å; F702-L736 HydrophobicContact CE1-CD2 3.84Å; F702-L736 HydrophobicContact CG-CD2 4.2Å; F702-N739 HydrophobicContact CD1-CB 4.22Å; F702-N739 HydrophobicContact CE1-CB 3.5Å; F702-N739 HydrophobicContact CZ-CB 4.19Å; F702-V740 HydrophobicContact CE1-CG2 4.36Å; F702-V740 HydrophobicContact CZ-CG2 3.8Å; F702-L752 HydrophobicContact CE2-CD1 3.78Å; F702-L752 HydrophobicContact CZ-CD1 4.05Å
703P84.6Confident92.1Very high62 Ų6229.5 Ų29.540%0.40317%0.168SC..THydrogen-bonded Turncis-72.7153.7-8.629.3-33.4000113L701L701-P703 CarbonylContact O-C 3.37Å
704P84.7Confident92.1Very high90 Ų9029.5 Ų29.558%0.58417%0.165SC*.THydrogen-bonded Turncis-107.4-4.115.938.9-34000116T706P704-T706 PolarHBondContact O-N 3.06Å
705H89.7Confident92.2Very high32 Ų3229.5 Ų29.515%0.14817%0.165CC..  trans-81.6119.5-166.5-58.5-59.6000114Y659 G666 A669 L701 C707Y659-H705 AromaticContact CE2-NE2 3.88Å; Y659-H705 AromaticContact CZ-CD2 3.97Å; Y659-H705 AromaticContact CZ-NE2 3.85Å; Y659-H705 PolarHBondContact OH-CD2 3.47Å; Y659-H705 PolarHBondContact OH-NE2 2.81Å; G666-H705 WeakPolarHBondContact CA-CE1 3.42Å; A669-H705 HydrophobicContact CB-CB 4.14Å; A669-H705 WeakPolarHBondContact CB-CD2 3.37Å; L701-H705 WeakPolarHBondContact O-CB 3.47Å; L701-H705 PolarHBondContact O-CD2 2.91Å; L701-H705 PolarHBondContact O-N 3.26Å; H705-C707 VanDerWaalsContact C-N 3.27Å; H705-C707 PolarHBondContact O-N 3.48Å
706T89.3Confident92.1Very high47 Ų4729 Ų2929%0.28816%0.162SC..THydrogen-bonded Turntrans-76.9-7.9-179.559.60000114.1P704 V708 F709 L752 M755P704-T706 PolarHBondContact O-N 3.06Å; T706-V708 PolarHBondContact O-N 3.16Å; T706-F709 HydrophobicContact CG2-CE2 4.31Å; T706-F709 VanDerWaalsContact O-CD2 3.27Å; T706-F709 WeakPolarHBondContact O-CD2 3.47Å; T706-F709 PolarHBondContact O-N 3.43Å; T706-F709 VanDerWaalsContact O-N 3.17Å; T706-L752 HydrophobicContact CG2-CD1 3.75Å; T706-M755 WeakPolarHBondContact O-CE 3.3Å
707C89.7Confident92Very high31 Ų3128.7 Ų28.721%0.20916%0.158CC..THydrogen-bonded Turntrans-61.8-13.9176.762.50000113.7A670 C673 H705 F709 P710A670-C707 HydrophobicContact CB-CB 4.29Å; C673-C707 HydrophobicContact CB-CB 4.31Å; H705-C707 VanDerWaalsContact C-N 3.27Å; H705-C707 PolarHBondContact O-N 3.48Å; C707-F709 VanDerWaalsContact C-N 3.33Å; C707-F709 PolarHBondContact O-N 3.01Å; C707-P710 WeakPolarHBondContact O-CD 3.43Å
708V94.7Very high91.8Very high0 Ų030.3 Ų30.30%017%0.167CC..Hα-helixtrans-68.8-27.3175.4-58.40000113.3L701 F702 T706 F711 M712 L736L701-V708 HydrophobicContact CB-CG1 3.82Å; L701-V708 HydrophobicContact CD1-CG1 4.5Å; F702-V708 HydrophobicContact CB-CG1 4.02Å; F702-V708 HydrophobicContact CB-CG2 3.76Å; F702-V708 HydrophobicContact CD2-CG2 4.22Å; F702-V708 HydrophobicContact CG-CG2 4Å; T706-V708 PolarHBondContact O-N 3.16Å; V708-F711 PolarHBondContact O-N 2.97Å; V708-M712 WeakPolarHBondContact O-CB 3.36Å; V708-M712 WeakPolarHBondContact O-CG 3.14Å; V708-M712 PolarHBondContact O-N 3.22Å; V708-L736 HydrophobicContact CG2-CD2 4.13Å
709F94.6Very high91.6Very high3 Ų330.3 Ų30.31%0.01317%0.167CC..Hα-helixtrans-66.9-47.3-171.9-72-65.5000114.1F702 T706 C707 F711 M712 R713 L736 V740 L752 M755 Y756 F759F702-F709 HydrophobicContact CE1-CZ 4.44Å; F702-F709 HydrophobicContact CE2-CE2 4.17Å; F702-F709 HydrophobicContact CE2-CZ 4.19Å; F702-F709 HydrophobicContact CZ-CE2 4.43Å; F702-F709 AromaticContact CZ-CZ 4Å; F702-F709 HydrophobicContact CZ-CZ 4Å; T706-F709 HydrophobicContact CG2-CE2 4.31Å; T706-F709 VanDerWaalsContact O-CD2 3.27Å; T706-F709 WeakPolarHBondContact O-CD2 3.47Å; T706-F709 PolarHBondContact O-N 3.43Å; T706-F709 VanDerWaalsContact O-N 3.17Å; C707-F709 VanDerWaalsContact C-N 3.33Å; C707-F709 PolarHBondContact O-N 3.01Å; F709-F711 VanDerWaalsContact C-N 3.33Å; F709-F711 PolarHBondContact O-N 3.44Å; F709-M712 PolarHBondContact O-N 3.29Å; F709-R713 WeakPolarHBondContact O-CB 3.45Å; F709-R713 PolarHBondContact O-N 3.33Å; F709-L736 HydrophobicContact CD1-CD1 4.32Å; F709-L736 HydrophobicContact CE1-CB 4.18Å; F709-L736 HydrophobicContact CE1-CD1 4.17Å; F709-L736 HydrophobicContact CE1-CD2 4.06Å; F709-L736 HydrophobicContact CE1-CG 4.37Å; F709-L736 HydrophobicContact CZ-CD2 4.47Å; F709-V740 HydrophobicContact CE1-CG2 4.38Å; F709-V740 HydrophobicContact CZ-CG2 3.67Å; F709-L752 HydrophobicContact CE2-CD1 4Å; F709-L752 HydrophobicContact CZ-CD1 4.39Å; F709-M755 HydrophobicContact CD2-CB 3.68Å; F709-M755 HydrophobicContact CE2-CB 4.29Å; F709-M755 HydrophobicContact CG-CB 4.35Å; F709-Y756 AromaticContact CE1-CD2 3.83Å; F709-Y756 HydrophobicContact CE1-CD2 3.83Å; F709-Y756 HydrophobicContact CZ-CD2 4.27Å; F709-F759 HydrophobicContact CB-CB 3.96Å; F709-F759 HydrophobicContact CD1-CB 3.78Å; F709-F759 AromaticContact CD1-CD1 3.95Å; F709-F759 HydrophobicContact CD1-CD1 3.95Å; F709-F759 AromaticContact CD1-CG 3.84Å; F709-F759 HydrophobicContact CD1-CG 3.84Å; F709-F759 HydrophobicContact CE1-CD1 4.34Å; F709-F759 HydrophobicContact CG-CB 4.24Å
710P91Very high91.3Very high54 Ų5427.3 Ų27.335%0.35115%0.154SC..Hα-helixtrans-62.9-40177.1-22.634.8000112.6C707 R713 N714 M755C707-P710 WeakPolarHBondContact O-CD 3.43Å; P710-R713 WeakPolarHBondContact O-CB 3.35Å; P710-N714 PolarHBondContact O-N 3.19Å; P710-M755 HydrophobicContact CG-CE 3.75Å
711F93.2Very high90.8Very high4 Ų429 Ų292%0.01816%0.163CC..Hα-helixtrans-60.9-53.5174.8162.8-122000110.7A676 N677 L680 F694 V698 V708 F709 R713 N714 V715A676-F711 HydrophobicContact CB-CD2 4.3Å; A676-F711 HydrophobicContact CB-CE1 4.26Å; A676-F711 HydrophobicContact CB-CE2 3.79Å; A676-F711 HydrophobicContact CB-CZ 3.75Å; N677-F711 HydrophobicContact CB-CB 4.26Å; N677-F711 HydrophobicContact CB-CD2 3.76Å; N677-F711 HydrophobicContact CB-CG 4.41Å; L680-F711 HydrophobicContact CB-CE2 4.4Å; L680-F711 HydrophobicContact CD2-CD2 4.3Å; L680-F711 HydrophobicContact CD2-CE2 4.15Å; F694-F711 HydrophobicContact CB-CE1 4.23Å; F694-F711 HydrophobicContact CB-CZ 3.67Å; F694-F711 HydrophobicContact CD1-CE2 4.18Å; F694-F711 AromaticContact CD1-CZ 3.58Å; F694-F711 HydrophobicContact CD1-CZ 3.58Å; F694-F711 HydrophobicContact CD2-CZ 4.32Å; F694-F711 HydrophobicContact CE1-CE2 4.45Å; F694-F711 HydrophobicContact CE1-CZ 4.26Å; F694-F711 HydrophobicContact CG-CE2 4.29Å; F694-F711 AromaticContact CG-CZ 3.6Å; F694-F711 HydrophobicContact CG-CZ 3.6Å; V698-F711 HydrophobicContact CG2-CD1 4.43Å; V698-F711 HydrophobicContact CG2-CE1 4.2Å; V708-F711 PolarHBondContact O-N 2.97Å; F709-F711 VanDerWaalsContact C-N 3.33Å; F709-F711 PolarHBondContact O-N 3.44Å; F711-R713 VanDerWaalsContact C-N 3.3Å; F711-R713 PolarHBondContact O-N 2.92Å; F711-N714 WeakPolarHBondContact O-CB 3.26Å; F711-N714 PolarHBondContact O-N 3.47Å; F711-V715 HydrophobicContact CD2-CG2 4.15Å; F711-V715 HydrophobicContact CE1-CG2 4.41Å; F711-V715 HydrophobicContact CE2-CG2 3.69Å; F711-V715 HydrophobicContact CZ-CG2 3.84Å; F711-V715 PolarHBondContact O-N 3.49Å; F711-V715 VanDerWaalsContact O-N 3.12Å
712M95Very high90.4Very high1 Ų131.5 Ų31.51%0.00518%0.175CC..Hα-helixtrans-62.9-36.6-179.8-77.2-52.3-56.500112.7V698 V708 F709 N714 V715 F716 V732 L736 F759V698-M712 HydrophobicContact CG2-CG 3.38Å; V698-M712 HydrophobicContact CG2-SD 3.32Å; V698-M712 WeakPolarHBondContact CG2-SD 3.37Å; V708-M712 WeakPolarHBondContact O-CB 3.36Å; V708-M712 WeakPolarHBondContact O-CG 3.14Å; V708-M712 PolarHBondContact O-N 3.22Å; F709-M712 PolarHBondContact O-N 3.29Å; M712-N714 PolarHBondContact O-N 2.82Å; M712-V715 HydrophobicContact CE-CB 3.98Å; M712-V715 HydrophobicContact CE-CG1 3.98Å; M712-V715 HydrophobicContact CE-CG2 4.4Å; M712-V715 WeakPolarHBondContact O-CB 3.31Å; M712-V715 PolarHBondContact O-N 3.07Å; M712-V715 HydrophobicContact SD-CB 4.16Å; M712-V715 HydrophobicContact SD-CG1 4.47Å; M712-V715 HydrophobicContact SD-CG2 3.93Å; M712-F716 HydrophobicContact CE-CD2 3.93Å; M712-F716 HydrophobicContact CE-CE2 3.61Å; M712-F716 VanDerWaalsContact O-CD2 3.26Å; M712-F716 WeakPolarHBondContact O-CD2 3.38Å; M712-F716 PolarHBondContact O-N 2.81Å; M712-V732 HydrophobicContact CE-CB 4.14Å; M712-V732 HydrophobicContact CE-CG1 3.5Å; M712-V732 VanDerWaalsContact CE-CG1 3.5Å; M712-V732 HydrophobicContact SD-CG1 4.33Å; M712-L736 HydrophobicContact CB-CD1 4.3Å; M712-L736 HydrophobicContact CG-CD1 4.31Å; M712-F759 HydrophobicContact CB-CD2 4.37Å; M712-F759 HydrophobicContact CB-CE2 3.95Å
713R94.1Very high90Very high76 Ų7636.5 Ų36.529%0.28721%0.207SC..Hα-helixtrans-53-42.8172.7-170.2-174.967.4-169.1-1.7111.6F709 P710 F711 F716 I717 F759F709-R713 WeakPolarHBondContact O-CB 3.45Å; F709-R713 PolarHBondContact O-N 3.33Å; P710-R713 WeakPolarHBondContact O-CB 3.35Å; F711-R713 VanDerWaalsContact C-N 3.3Å; F711-R713 PolarHBondContact O-N 2.92Å; R713-F716 PolarHBondContact O-N 3.13Å; R713-I717 HydrophobicContact CG-CD1 3.97Å; R713-I717 WeakPolarHBondContact O-CD1 3.4Å; R713-I717 WeakPolarHBondContact O-CG1 3.28Å; R713-I717 PolarHBondContact O-N 3.33Å; R713-F759 HydrophobicContact CB-CD2 3.98Å
714N93.8Very high90Very high29 Ų2940 Ų4016%0.15522%0.219CC..Hα-helixtrans-69.9-37.3178.7-65.5-20.8000111.9N677 L680 P710 F711 M712 F716 I717 L718N677-N714 PolarHBondContact OD1-ND2 3.04Å; L680-N714 HydrophobicContact CD2-CB 3.67Å; P710-N714 PolarHBondContact O-N 3.19Å; F711-N714 WeakPolarHBondContact O-CB 3.26Å; F711-N714 PolarHBondContact O-N 3.47Å; M712-N714 PolarHBondContact O-N 2.82Å; N714-F716 VanDerWaalsContact C-N 3.34Å; N714-F716 PolarHBondContact O-N 3.13Å; N714-I717 PolarHBondContact O-N 3.16Å; N714-L718 WeakPolarHBondContact O-CG 3.46Å; N714-L718 PolarHBondContact O-N 2.86Å
715V94.8Very high90.2Very high0 Ų036 Ų360%019%0.192CC..Hα-helixtrans-57.9-48.3174.3176.80000110.2L680 L691 F694 F711 M712 L718 F719 L729L680-V715 HydrophobicContact CD1-CG2 4.29Å; L680-V715 HydrophobicContact CD2-CB 4.32Å; L680-V715 HydrophobicContact CD2-CG2 3.57Å; L691-V715 HydrophobicContact CD1-CG1 3.77Å; F694-V715 HydrophobicContact CD2-CG2 4.35Å; F711-V715 HydrophobicContact CD2-CG2 4.15Å; F711-V715 HydrophobicContact CE1-CG2 4.41Å; F711-V715 HydrophobicContact CE2-CG2 3.69Å; F711-V715 HydrophobicContact CZ-CG2 3.84Å; F711-V715 PolarHBondContact O-N 3.49Å; F711-V715 VanDerWaalsContact O-N 3.12Å; M712-V715 HydrophobicContact CE-CB 3.98Å; M712-V715 HydrophobicContact CE-CG1 3.98Å; M712-V715 HydrophobicContact CE-CG2 4.4Å; M712-V715 WeakPolarHBondContact O-CB 3.31Å; M712-V715 PolarHBondContact O-N 3.07Å; M712-V715 HydrophobicContact SD-CB 4.16Å; M712-V715 HydrophobicContact SD-CG1 4.47Å; M712-V715 HydrophobicContact SD-CG2 3.93Å; V715-L718 PolarHBondContact O-N 3.09Å; V715-F719 HydrophobicContact CG1-CD2 3.66Å; V715-F719 HydrophobicContact CG1-CE2 3.99Å; V715-F719 WeakPolarHBondContact O-CB 3.37Å; V715-F719 PolarHBondContact O-N 3.22Å; V715-L729 HydrophobicContact CG1-CD2 3.95Å
716F92.9Very high90Very high0 Ų038.5 Ų38.50%020%0.201CC..Hα-helixtrans-61.6-46.7177.1-85.5-101.1000112.1M712 R713 N714 L718 F719 S720 L729 F733 F759 V763 L777M712-F716 HydrophobicContact CE-CD2 3.93Å; M712-F716 HydrophobicContact CE-CE2 3.61Å; M712-F716 VanDerWaalsContact O-CD2 3.26Å; M712-F716 WeakPolarHBondContact O-CD2 3.38Å; M712-F716 PolarHBondContact O-N 2.81Å; R713-F716 PolarHBondContact O-N 3.13Å; N714-F716 VanDerWaalsContact C-N 3.34Å; N714-F716 PolarHBondContact O-N 3.13Å; F716-L718 VanDerWaalsContact C-N 3.28Å; F716-L718 PolarHBondContact O-N 3.29Å; F716-F719 PolarHBondContact O-N 2.95Å; F716-S720 WeakPolarHBondContact O-CA 3.42Å; F716-S720 WeakPolarHBondContact O-CB 3.5Å; F716-S720 PolarHBondContact O-N 3.01Å; F716-L729 HydrophobicContact CD1-CB 4.34Å; F716-L729 HydrophobicContact CD1-CD2 4.28Å; F716-L729 HydrophobicContact CD2-CD2 4.11Å; F716-L729 HydrophobicContact CE1-CB 3.9Å; F716-L729 HydrophobicContact CE1-CD2 4.39Å; F716-L729 HydrophobicContact CE2-CD2 4.24Å; F716-L729 HydrophobicContact CG-CD2 4.16Å; F716-L729 HydrophobicContact CZ-CB 4.2Å; F716-L729 HydrophobicContact CZ-CD2 4.38Å; F716-L729 WeakPolarHBondContact CZ-O 3.35Å; F716-F733 HydrophobicContact CE1-CB 4.1Å; F716-F733 HydrophobicContact CE1-CD2 4.29Å; F716-F733 HydrophobicContact CZ-CB 3.73Å; F716-F733 HydrophobicContact CZ-CD2 4.23Å; F716-F733 HydrophobicContact CZ-CG 4.49Å; F716-F759 AromaticContact CD2-CE2 3.88Å; F716-F759 HydrophobicContact CD2-CE2 3.88Å; F716-F759 HydrophobicContact CD2-CZ 4.15Å; F716-F759 AromaticContact CE2-CE2 3.94Å; F716-F759 HydrophobicContact CE2-CE2 3.94Å; F716-F759 AromaticContact CE2-CZ 3.78Å; F716-F759 HydrophobicContact CE2-CZ 3.78Å; F716-F759 HydrophobicContact CZ-CZ 4.18Å; F716-V763 HydrophobicContact CB-CG2 3.89Å; F716-V763 HydrophobicContact CD1-CG1 3.68Å; F716-V763 HydrophobicContact CD1-CG2 4.03Å; F716-V763 HydrophobicContact CD2-CG2 4.33Å; F716-V763 HydrophobicContact CE1-CG1 4.19Å; F716-V763 HydrophobicContact CG-CG1 4.29Å; F716-V763 HydrophobicContact CG-CG2 3.83Å; F716-L777 HydrophobicContact CD1-CD2 4.08Å; F716-L777 HydrophobicContact CE1-CD2 4.36Å
717I89.4Confident89.9Confident49 Ų4944.2 Ų44.225%0.25122%0.224SC..Hα-helixtrans-60.3-39.4-178.4-70.2163.5000111.7R713 N714 K766R713-I717 HydrophobicContact CG-CD1 3.97Å; R713-I717 WeakPolarHBondContact O-CD1 3.4Å; R713-I717 WeakPolarHBondContact O-CG1 3.28Å; R713-I717 PolarHBondContact O-N 3.33Å; N714-I717 PolarHBondContact O-N 3.16Å; I717-K766 HydrophobicContact CD1-CB 4.35Å; I717-K766 HydrophobicContact CD1-CD 3.56Å; I717-K766 HydrophobicContact CG1-CB 3.92Å; I717-K766 HydrophobicContact CG1-CD 4.07Å
718L89.1Confident90Very high41 Ų4145 Ų4522%0.21523%0.23CC..Hα-helixtrans-76.8-40.4-179-73.1168.7000112.2L680 K684 N714 V715 F716L680-L718 HydrophobicContact CD1-CD1 3.71Å; L680-L718 HydrophobicContact CD2-CD1 4.06Å; L680-L718 HydrophobicContact CG-CD1 3.59Å; K684-L718 HydrophobicContact CB-CD2 4.38Å; N714-L718 WeakPolarHBondContact O-CG 3.46Å; N714-L718 PolarHBondContact O-N 2.86Å; V715-L718 PolarHBondContact O-N 3.09Å; F716-L718 VanDerWaalsContact C-N 3.28Å; F716-L718 PolarHBondContact O-N 3.29Å
719F91.3Very high89.8Confident0 Ų045 Ų450%023%0.23CC..Hα-helixtrans-101.4-4.1-169.9-57.6-31.1000115.1L680 A687 M688 L691 F694 V715 F716 N721 H722 C725 L729L680-F719 HydrophobicContact CD1-CE2 3.91Å; L680-F719 HydrophobicContact CD1-CZ 3.72Å; A687-F719 HydrophobicContact CB-CZ 4.01Å; M688-F719 HydrophobicContact CB-CE1 4.47Å; M688-F719 HydrophobicContact CG-CD1 3.78Å; M688-F719 HydrophobicContact CG-CE1 3.57Å; M688-F719 HydrophobicContact CG-CZ 4.14Å; L691-F719 HydrophobicContact CB-CE2 4.49Å; L691-F719 HydrophobicContact CD1-CD2 3.94Å; L691-F719 HydrophobicContact CD1-CE2 4.12Å; F694-F719 HydrophobicContact CD2-CE2 4.44Å; F694-F719 HydrophobicContact CE2-CE2 4.49Å; V715-F719 HydrophobicContact CG1-CD2 3.66Å; V715-F719 HydrophobicContact CG1-CE2 3.99Å; V715-F719 WeakPolarHBondContact O-CB 3.37Å; V715-F719 PolarHBondContact O-N 3.22Å; F716-F719 PolarHBondContact O-N 2.95Å; F719-N721 PolarHBondContact O-N 3.28Å; F719-H722 WeakPolarHBondContact O-CB 3.37Å; F719-H722 PolarHBondContact O-N 2.79Å; F719-C725 HydrophobicContact CB-CB 4.02Å; F719-L729 HydrophobicContact CB-CD1 4.05Å
720S85.9Confident89.7Confident11 Ų1146.3 Ų46.38%0.07724%0.237CC..THydrogen-bonded Turntrans-60.1-24.4-175.866.40000114.9F716F716-S720 WeakPolarHBondContact O-CA 3.42Å; F716-S720 WeakPolarHBondContact O-CB 3.5Å; F716-S720 PolarHBondContact O-N 3.01Å
721N83.3Confident89.7Confident78 Ų7849.5 Ų49.542%0.41724%0.243SC..THydrogen-bonded Turntrans-90.9-1.6-179.9-65.3-47.7000113.2F719F719-N721 PolarHBondContact O-N 3.28Å
722H85.9Confident89.7Confident51 Ų5149.5 Ų49.524%0.23624%0.243CC..  trans-98.8113.3-178.4-68.5-91.5000109.9M688 F719 E724 C725M688-H722 HydrophobicContact CE-CB 4.21Å; M688-H722 HydrophobicContact SD-CB 4.37Å; M688-H722 PolarHBondContact SD-ND1 3.34Å; F719-H722 WeakPolarHBondContact O-CB 3.37Å; F719-H722 PolarHBondContact O-N 2.79Å; H722-E724 VanDerWaalsContact C-N 3.27Å; H722-E724 IonicContact ND1-OE1 2.8Å; H722-E724 PolarHBondContact O-N 2.97Å; H722-C725 HydrophobicContact CB-CB 4.27Å; H722-C725 PolarHBondContact O-N 3Å; H722-C725 VanDerWaalsContact O-N 3.17Å
723P82Confident89.6Confident107 Ų10749.5 Ų49.570%0.69524%0.243SC*.G310 helixtrans-64.1-31.8-173.224.4-32.9000112.9C725 R726P723-C725 VanDerWaalsContact C-N 3.3Å; P723-C725 PolarHBondContact O-N 3.15Å; P723-R726 WeakPolarHBondContact O-CB 3.3Å; P723-R726 PolarHBondContact O-N 3.42Å
724E85.3Confident89.5Confident137 Ų13748.8 Ų48.864%0.6425%0.249SC*.G310 helixtrans-68.2-25.6177.760.6-134.3143.900113.9M688 H722 R726M688-E724 HydrophobicContact CE-CG 3.38Å; M688-E724 WeakPolarHBondContact CE-OE1 3.43Å; H722-E724 VanDerWaalsContact C-N 3.27Å; H722-E724 IonicContact ND1-OE1 2.8Å; H722-E724 PolarHBondContact O-N 2.97Å; E724-R726 VanDerWaalsContact C-N 3.33Å
725C88.4Confident89.5Confident5 Ų549.7 Ų49.73%0.03425%0.251CS..G310 helixtrans-83.9-12177.8-60.50000112.6M688 L691 F719 H722 P723 E727 S728 L729M688-C725 VanDerWaalsContact CE-SG 3.57Å; L691-C725 HydrophobicContact CD2-CB 3.66Å; F719-C725 HydrophobicContact CB-CB 4.02Å; H722-C725 HydrophobicContact CB-CB 4.27Å; H722-C725 PolarHBondContact O-N 3Å; H722-C725 VanDerWaalsContact O-N 3.17Å; P723-C725 VanDerWaalsContact C-N 3.3Å; P723-C725 PolarHBondContact O-N 3.15Å; C725-E727 PolarHBondContact O-N 3.37Å; C725-S728 PolarHBondContact O-N 3.37Å; C725-L729 HydrophobicContact CB-CD1 4.23Å; C725-L729 HydrophobicContact CB-CG 4.4Å; C725-L729 WeakPolarHBondContact O-CG 3.16Å; C725-L729 PolarHBondContact O-N 3.48Å
726R86Confident89.5Confident85 Ų8549.7 Ų49.732%0.32125%0.251SS..Hα-helixtrans-59.7-48.7-165.4-174.8174.4-167.9-159.91.4113.3P723 E724 S728 L729 L730 L777 T780P723-R726 WeakPolarHBondContact O-CB 3.3Å; P723-R726 PolarHBondContact O-N 3.42Å; E724-R726 VanDerWaalsContact C-N 3.33Å; R726-S728 VanDerWaalsContact C-N 3.33Å; R726-S728 PolarHBondContact O-N 3.13Å; R726-L729 PolarHBondContact O-N 3.41Å; R726-L730 HydrophobicContact CG-CD1 3.92Å; R726-L730 WeakPolarHBondContact O-CD1 3.32Å; R726-L730 WeakPolarHBondContact O-CG 3.43Å; R726-L730 PolarHBondContact O-N 3.22Å; R726-L777 HydrophobicContact CG-CD1 3.97Å; R726-T780 PolarHBondContact NH2-O 2.76Å; R726-T780 PolarHBondContact NH2-OG1 2.87Å
727E88.3Confident89.5Confident166 Ų16650 Ų5078%0.77625%0.253SS*.Hα-helixtrans-62.1-42.7-179.7-66.7-171.7163.500111.7C725 L730 Y731C725-E727 PolarHBondContact O-N 3.37Å; E727-L730 PolarHBondContact O-N 3.3Å; E727-Y731 WeakPolarHBondContact O-CB 3.49Å; E727-Y731 PolarHBondContact O-N 3.25Å
728S90.9Very high89.7Confident48 Ų4850.3 Ų50.334%0.33626%0.263SS..Hα-helixtrans-64.4-43.2177.9-67.30000112C725 R726 L730 Y731 V732C725-S728 PolarHBondContact O-N 3.37Å; R726-S728 VanDerWaalsContact C-N 3.33Å; R726-S728 PolarHBondContact O-N 3.13Å; S728-L730 PolarHBondContact O-N 2.92Å; S728-Y731 PolarHBondContact O-N 3.28Å; S728-V732 WeakPolarHBondContact O-CG2 3.44Å; S728-V732 PolarHBondContact O-N 3.47Å
729L91.8Very high89.8Confident1 Ų150.1 Ų50.11%0.00526%0.262CS..Hα-helixtrans-63.1-42.7177.1-69.1176.8000111.4V715 F716 F719 C725 R726 V732 F733 L777V715-L729 HydrophobicContact CG1-CD2 3.95Å; F716-L729 HydrophobicContact CD1-CB 4.34Å; F716-L729 HydrophobicContact CD1-CD2 4.28Å; F716-L729 HydrophobicContact CD2-CD2 4.11Å; F716-L729 HydrophobicContact CE1-CB 3.9Å; F716-L729 HydrophobicContact CE1-CD2 4.39Å; F716-L729 HydrophobicContact CE2-CD2 4.24Å; F716-L729 HydrophobicContact CG-CD2 4.16Å; F716-L729 HydrophobicContact CZ-CB 4.2Å; F716-L729 HydrophobicContact CZ-CD2 4.38Å; F716-L729 WeakPolarHBondContact CZ-O 3.35Å; F719-L729 HydrophobicContact CB-CD1 4.05Å; C725-L729 HydrophobicContact CB-CD1 4.23Å; C725-L729 HydrophobicContact CB-CG 4.4Å; C725-L729 WeakPolarHBondContact O-CG 3.16Å; C725-L729 PolarHBondContact O-N 3.48Å; R726-L729 PolarHBondContact O-N 3.41Å; L729-V732 PolarHBondContact O-N 3.5Å; L729-F733 PolarHBondContact O-N 3.43Å; L729-L777 HydrophobicContact CB-CD2 4.25Å; L729-L777 HydrophobicContact CD1-CD2 3.87Å
730L90.7Very high89.8Confident30 Ų3050.1 Ų50.116%0.15726%0.262CS..Hα-helixtrans-66.3-43.3178.8-67.2165.2000112R726 E727 S728 V732 F733 S734 L778 S781 A783R726-L730 HydrophobicContact CG-CD1 3.92Å; R726-L730 WeakPolarHBondContact O-CD1 3.32Å; R726-L730 WeakPolarHBondContact O-CG 3.43Å; R726-L730 PolarHBondContact O-N 3.22Å; E727-L730 PolarHBondContact O-N 3.3Å; S728-L730 PolarHBondContact O-N 2.92Å; L730-V732 VanDerWaalsContact C-N 3.31Å; L730-V732 PolarHBondContact O-N 2.93Å; L730-F733 PolarHBondContact O-N 2.97Å; L730-S734 PolarHBondContact O-N 3.45Å; L730-S734 PolarHBondContact O-OG 3Å; L730-L778 HydrophobicContact CD2-CD2 4.11Å; L730-S781 WeakPolarHBondContact CD2-OG 3.17Å; L730-A783 HydrophobicContact CD2-CB 3.84Å
731Y92.1Very high90Very high121 Ų12151.4 Ų51.448%0.47527%0.273SS..Hα-helixtrans-54.7-48.9174.1173.1-97.7000111.3V695 Q699 E727 S728 S734 Y735V695-Y731 HydrophobicContact CG1-CD1 4.31Å; V695-Y731 HydrophobicContact CG1-CE1 4.22Å; Q699-Y731 PolarHBondContact NE2-OH 3.03Å; E727-Y731 WeakPolarHBondContact O-CB 3.49Å; E727-Y731 PolarHBondContact O-N 3.25Å; S728-Y731 PolarHBondContact O-N 3.28Å; Y731-S734 PolarHBondContact O-N 2.73Å; Y731-Y735 VanDerWaalsContact O-CB 3.3Å; Y731-Y735 WeakPolarHBondContact O-CB 3.5Å; Y731-Y735 PolarHBondContact O-N 3.1Å
732V92.9Very high90.2Very high3 Ų351.1 Ų51.12%0.01828%0.282CS..Hα-helixtrans-69-36.7-179.9-1790000112.2V695 V698 M712 S728 L729 L730 Y735 L736V695-V732 HydrophobicContact CB-CG2 4.03Å; V695-V732 HydrophobicContact CG1-CG2 3.66Å; V695-V732 HydrophobicContact CG2-CG2 3.48Å; V695-V732 VanDerWaalsContact CG2-CG2 3.48Å; V698-V732 HydrophobicContact CG1-CG1 4.21Å; M712-V732 HydrophobicContact CE-CB 4.14Å; M712-V732 HydrophobicContact CE-CG1 3.5Å; M712-V732 VanDerWaalsContact CE-CG1 3.5Å; M712-V732 HydrophobicContact SD-CG1 4.33Å; S728-V732 WeakPolarHBondContact O-CG2 3.44Å; S728-V732 PolarHBondContact O-N 3.47Å; L729-V732 PolarHBondContact O-N 3.5Å; L730-V732 VanDerWaalsContact C-N 3.31Å; L730-V732 PolarHBondContact O-N 2.93Å; V732-Y735 PolarHBondContact O-N 2.65Å; V732-L736 HydrophobicContact CG1-CD1 3.99Å; V732-L736 HydrophobicContact CG1-CG 4.14Å; V732-L736 WeakPolarHBondContact O-CB 3.43Å; V732-L736 VanDerWaalsContact O-CG 3.31Å; V732-L736 WeakPolarHBondContact O-CG 3.47Å; V732-L736 PolarHBondContact O-N 3.23Å
733F93.2Very high90.1Very high2 Ų250 Ų501%0.00928%0.28CS..Hα-helixtrans-57.4-54173.9-171.8-95.7000110.3F716 L729 L730 Y735 L736 T737 F759 L778 L785F716-F733 HydrophobicContact CE1-CB 4.1Å; F716-F733 HydrophobicContact CE1-CD2 4.29Å; F716-F733 HydrophobicContact CZ-CB 3.73Å; F716-F733 HydrophobicContact CZ-CD2 4.23Å; F716-F733 HydrophobicContact CZ-CG 4.49Å; L729-F733 PolarHBondContact O-N 3.43Å; L730-F733 PolarHBondContact O-N 2.97Å; F733-Y735 VanDerWaalsContact C-N 3.33Å; F733-Y735 PolarHBondContact O-N 3Å; F733-L736 PolarHBondContact O-N 3.01Å; F733-T737 WeakPolarHBondContact O-CB 3.42Å; F733-T737 PolarHBondContact O-N 3.5Å; F733-T737 PolarHBondContact O-OG1 3.34Å; F733-F759 AromaticContact CD2-CE1 3.86Å; F733-F759 HydrophobicContact CD2-CE1 3.86Å; F733-F759 AromaticContact CD2-CZ 3.96Å; F733-F759 HydrophobicContact CD2-CZ 3.96Å; F733-F759 AromaticContact CE2-CE1 3.97Å; F733-F759 HydrophobicContact CE2-CE1 3.97Å; F733-F759 HydrophobicContact CE2-CZ 4.42Å; F733-L778 HydrophobicContact CD1-CD2 4.21Å; F733-L778 HydrophobicContact CD2-CD1 4.42Å; F733-L778 HydrophobicContact CD2-CD2 4.2Å; F733-L778 HydrophobicContact CE1-CD1 4.37Å; F733-L778 HydrophobicContact CE1-CD2 4.47Å; F733-L778 HydrophobicContact CE2-CD1 3.91Å; F733-L778 HydrophobicContact CE2-CD2 4.46Å; F733-L778 HydrophobicContact CG-CD2 4.07Å; F733-L778 HydrophobicContact CZ-CD1 3.88Å; F733-L785 HydrophobicContact CE1-CD2 4.01Å; F733-L785 HydrophobicContact CZ-CD2 4.06Å
734S92.6Very high90Very high60 Ų6047 Ų4742%0.4226%0.258SS..Hα-helixtrans-61.8-40.1179.2-64.80000112.3L730 Y731 A738L730-S734 PolarHBondContact O-N 3.45Å; L730-S734 PolarHBondContact O-OG 3Å; Y731-S734 PolarHBondContact O-N 2.73Å; S734-A738 WeakPolarHBondContact O-CB 3.3Å; S734-A738 PolarHBondContact O-N 3.44Å
735Y93.9Very high89.2Confident49 Ų4946 Ų4619%0.19227%0.266CS..Hα-helixtrans-58.8-50.8175.3176.1-94.5000111.7V698 Q699 F702 Y731 V732 F733 N739V698-Y735 HydrophobicContact CG1-CD1 4.43Å; V698-Y735 HydrophobicContact CG1-CE1 4.38Å; Q699-Y735 HydrophobicContact CG-CE1 4.32Å; Q699-Y735 HydrophobicContact CG-CE2 4.39Å; F702-Y735 HydrophobicContact CD1-CE1 4.17Å; F702-Y735 PolarHBondContact O-OH 3.08Å; Y731-Y735 VanDerWaalsContact O-CB 3.3Å; Y731-Y735 WeakPolarHBondContact O-CB 3.5Å; Y731-Y735 PolarHBondContact O-N 3.1Å; V732-Y735 PolarHBondContact O-N 2.65Å; F733-Y735 VanDerWaalsContact C-N 3.33Å; F733-Y735 PolarHBondContact O-N 3Å; Y735-N739 WeakPolarHBondContact CD2-ND2 3.28Å; Y735-N739 WeakPolarHBondContact CE2-ND2 3.47Å; Y735-N739 VanDerWaalsContact CZ-ND2 3.34Å; Y735-N739 WeakPolarHBondContact O-CB 3.46Å; Y735-N739 PolarHBondContact O-N 3.21Å; Y735-N739 PolarHBondContact O-ND2 2.85Å
736L94.5Very high87.9Confident0 Ų049 Ų490%028%0.284CS..Hα-helixtrans-62.4-49.5179.4-71.7175.5000110.8V698 F702 V708 F709 M712 V732 F733 A738 N739 V740 F759V698-L736 HydrophobicContact CG1-CD2 3.73Å; V698-L736 HydrophobicContact CG1-CG 4.37Å; F702-L736 HydrophobicContact CD1-CD2 3.5Å; F702-L736 HydrophobicContact CE1-CD2 3.84Å; F702-L736 HydrophobicContact CG-CD2 4.2Å; V708-L736 HydrophobicContact CG2-CD2 4.13Å; F709-L736 HydrophobicContact CD1-CD1 4.32Å; F709-L736 HydrophobicContact CE1-CB 4.18Å; F709-L736 HydrophobicContact CE1-CD1 4.17Å; F709-L736 HydrophobicContact CE1-CD2 4.06Å; F709-L736 HydrophobicContact CE1-CG 4.37Å; F709-L736 HydrophobicContact CZ-CD2 4.47Å; M712-L736 HydrophobicContact CB-CD1 4.3Å; M712-L736 HydrophobicContact CG-CD1 4.31Å; V732-L736 HydrophobicContact CG1-CD1 3.99Å; V732-L736 HydrophobicContact CG1-CG 4.14Å; V732-L736 WeakPolarHBondContact O-CB 3.43Å; V732-L736 VanDerWaalsContact O-CG 3.31Å; V732-L736 WeakPolarHBondContact O-CG 3.47Å; V732-L736 PolarHBondContact O-N 3.23Å; F733-L736 PolarHBondContact O-N 3.01Å; L736-A738 PolarHBondContact O-N 2.89Å; L736-N739 PolarHBondContact O-N 3.28Å; L736-V740 VanDerWaalsContact O-CG2 3.24Å; L736-V740 WeakPolarHBondContact O-CG2 3.21Å; L736-V740 PolarHBondContact O-N 3.15Å; L736-F759 HydrophobicContact CD1-CE1 4.02Å; L736-F759 HydrophobicContact CD1-CE2 4.41Å; L736-F759 HydrophobicContact CD1-CZ 3.89Å
737T93.1Very high86.5Confident5 Ų549.9 Ų49.93%0.03131%0.31CS..Hα-helixtrans-59.6-44.3-179.8-59.90000112.2F733 A741 Y756 V787 L791F733-T737 WeakPolarHBondContact O-CB 3.42Å; F733-T737 PolarHBondContact O-N 3.5Å; F733-T737 PolarHBondContact O-OG1 3.34Å; T737-A741 WeakPolarHBondContact O-CB 3.3Å; T737-A741 PolarHBondContact O-N 3.05Å; T737-Y756 WeakPolarHBondContact CB-OH 3.21Å; T737-Y756 VanDerWaalsContact CG2-OH 3.27Å; T737-Y756 WeakPolarHBondContact CG2-OH 3.3Å; T737-Y756 WeakPolarHBondContact OG1-CE2 3.49Å; T737-Y756 PolarHBondContact OG1-OH 2.64Å; T737-V787 HydrophobicContact CG2-CB 3.62Å; T737-V787 HydrophobicContact CG2-CG1 3.53Å; T737-L791 HydrophobicContact CG2-CD1 4.23Å
738A91.7Very high85.3Confident56 Ų5647.4 Ų47.446%0.46330%0.301SS..Hα-helixtrans-66.5-43.2179.700000112.2S734 L736 A741 A742S734-A738 WeakPolarHBondContact O-CB 3.3Å; S734-A738 PolarHBondContact O-N 3.44Å; L736-A738 PolarHBondContact O-N 2.89Å; A738-A741 PolarHBondContact O-N 3.19Å; A738-A742 WeakPolarHBondContact O-CB 3.36Å; A738-A742 PolarHBondContact O-N 3.08Å
739N91.4Very high84.5Confident38 Ų3845.4 Ų45.420%0.20329%0.288CS..Hα-helixtrans-69.3-34.8178.8-79.8-69.8000112.3F702 Y735 L736 A742 S743F702-N739 HydrophobicContact CD1-CB 4.22Å; F702-N739 HydrophobicContact CE1-CB 3.5Å; F702-N739 HydrophobicContact CZ-CB 4.19Å; Y735-N739 WeakPolarHBondContact CD2-ND2 3.28Å; Y735-N739 WeakPolarHBondContact CE2-ND2 3.47Å; Y735-N739 VanDerWaalsContact CZ-ND2 3.34Å; Y735-N739 WeakPolarHBondContact O-CB 3.46Å; Y735-N739 PolarHBondContact O-N 3.21Å; Y735-N739 PolarHBondContact O-ND2 2.85Å; L736-N739 PolarHBondContact O-N 3.28Å; N739-A742 PolarHBondContact O-N 3.26Å; N739-S743 WeakPolarHBondContact O-CB 3.23Å; N739-S743 PolarHBondContact O-N 3.49Å; N739-S743 PolarHBondContact O-OG 3.45Å
740V91.8Very high84.1Confident0 Ų047.3 Ų47.30%030%0.298CS..Hα-helixtrans-61.8-46.9171.41710000110.2F702 F709 L736 A742 S743 L744 L752 L753 Y756 L791F702-V740 HydrophobicContact CE1-CG2 4.36Å; F702-V740 HydrophobicContact CZ-CG2 3.8Å; F709-V740 HydrophobicContact CE1-CG2 4.38Å; F709-V740 HydrophobicContact CZ-CG2 3.67Å; L736-V740 VanDerWaalsContact O-CG2 3.24Å; L736-V740 WeakPolarHBondContact O-CG2 3.21Å; L736-V740 PolarHBondContact O-N 3.15Å; V740-A742 VanDerWaalsContact C-N 3.31Å; V740-A742 PolarHBondContact O-N 2.74Å; V740-S743 PolarHBondContact O-N 3.24Å; V740-S743 VanDerWaalsContact O-N 3.14Å; V740-L744 PolarHBondContact O-N 3.27Å; V740-L752 HydrophobicContact CG1-CD2 4.33Å; V740-L752 HydrophobicContact CG1-CG 4.19Å; V740-L752 HydrophobicContact CG2-CD1 4.04Å; V740-L752 HydrophobicContact CG2-CG 4.29Å; V740-L753 HydrophobicContact CG1-CD2 4.36Å; V740-Y756 HydrophobicContact CB-CD2 4.37Å; V740-Y756 HydrophobicContact CB-CG 4.44Å; V740-Y756 HydrophobicContact CG1-CD1 4.36Å; V740-Y756 HydrophobicContact CG1-CD2 4.49Å; V740-Y756 HydrophobicContact CG1-CG 4.07Å; V740-Y756 HydrophobicContact CG2-CD2 3.79Å; V740-Y756 HydrophobicContact CG2-CG 4.03Å; V740-L791 HydrophobicContact CB-CD1 4.19Å; V740-L791 HydrophobicContact CG1-CD1 3.75Å; V740-L791 HydrophobicContact CG1-CD2 4.09Å
741A89.8Confident83.6Confident38 Ų3850.8 Ų50.831%0.31432%0.317SS..Hα-helixtrans-61.9-38.5178.100000112.9T737 A738 S743 V787 L791T737-A741 WeakPolarHBondContact O-CB 3.3Å; T737-A741 PolarHBondContact O-N 3.05Å; A738-A741 PolarHBondContact O-N 3.19Å; A741-S743 VanDerWaalsContact C-N 3.31Å; A741-S743 PolarHBondContact O-N 3.29Å; A741-V787 HydrophobicContact CB-CG1 3.69Å; A741-L791 HydrophobicContact CB-CD2 4.05Å
742A88.1Confident83.4Confident72 Ų7245.7 Ų45.760%0.59530%0.297SS*.Hα-helixtrans-67.9-29.4175.600000113.1A738 N739 V740A738-A742 WeakPolarHBondContact O-CB 3.36Å; A738-A742 PolarHBondContact O-N 3.08Å; N739-A742 PolarHBondContact O-N 3.26Å; V740-A742 VanDerWaalsContact C-N 3.31Å; V740-A742 PolarHBondContact O-N 2.74Å
743S84.2Confident83.2Confident28 Ų2845.6 Ų45.620%0.19630%0.297CS..Hα-helixtrans-90-3.2-174.4-54.60000114N739 V740 A741 S745 T746N739-S743 WeakPolarHBondContact O-CB 3.23Å; N739-S743 PolarHBondContact O-N 3.49Å; N739-S743 PolarHBondContact O-OG 3.45Å; V740-S743 PolarHBondContact O-N 3.24Å; V740-S743 VanDerWaalsContact O-N 3.14Å; A741-S743 VanDerWaalsContact C-N 3.31Å; A741-S743 PolarHBondContact O-N 3.29Å; S743-S745 PolarHBondContact O-N 2.9Å; S743-T746 PolarHBondContact O-N 3.34Å; S743-T746 PolarHBondContact O-OG1 3Å
744L79.7Confident83.1Confident43 Ų4348.1 Ų48.123%0.22531%0.309CS..THydrogen-bonded Turntrans-61-16.4-175.1-90.7170.9000115.4V740 T746 A749 L753 L791 V794V740-L744 PolarHBondContact O-N 3.27Å; L744-T746 PolarHBondContact O-N 2.97Å; L744-A749 HydrophobicContact CD2-CB 4.18Å; L744-L753 HydrophobicContact CD2-CD1 3.67Å; L744-L753 HydrophobicContact CD2-CD2 3.99Å; L744-L753 HydrophobicContact CD2-CG 3.8Å; L744-L791 HydrophobicContact CD1-CD2 3.32Å; L744-L791 HydrophobicContact CG-CD2 4.16Å; L744-V794 HydrophobicContact CD1-CG1 4.39Å; L744-V794 HydrophobicContact CD2-CG1 4.36Å
745S69.2Low83Confident116 Ų11648.1 Ų48.181%0.81130%0.303SS*.THydrogen-bonded Turntrans-78.5-1.6179590000114.3S743S743-S745 PolarHBondContact O-N 2.9Å
746T59.7Low83Confident68 Ų6845.8 Ų45.842%0.41729%0.293SS..SBendtrans-90.9155-17860.60000112.2S743 L744 D748 A749S743-T746 PolarHBondContact O-N 3.34Å; S743-T746 PolarHBondContact O-OG1 3Å; L744-T746 PolarHBondContact O-N 2.97Å; T746-D748 PolarHBondContact O-N 2.69Å; T746-A749 WeakPolarHBondContact O-CB 3.47Å; T746-A749 PolarHBondContact O-N 3.49Å; T746-A749 VanDerWaalsContact O-N 3.14Å
747A57.8Low83Confident104 Ų10445.8 Ų45.886%0.8629%0.293SS*.THydrogen-bonded Turntrans-55-25.8175.600000113.5A749A747-A749 VanDerWaalsContact C-N 3.27Å; A747-A749 PolarHBondContact O-N 3.43Å
748D62Low83Confident113 Ų11348 Ų4860%0.60431%0.307SS*.THydrogen-bonded Turntrans-85.818.1-179.3-53.3-35.7000114.2T746 I750 L752T746-D748 PolarHBondContact O-N 2.69Å; D748-I750 VanDerWaalsContact C-N 3.27Å; D748-I750 PolarHBondContact O-N 3.2Å; D748-L752 WeakPolarHBondContact O-CB 3.38Å; D748-L752 PolarHBondContact O-N 3.04Å
749A75.4Confident83.2Confident6 Ų645.4 Ų45.45%0.0529%0.285CS..Hα-helixtrans-58.8-34.6-175.200000113.7L744 T746 A747 L753 F798L744-A749 HydrophobicContact CD2-CB 4.18Å; T746-A749 WeakPolarHBondContact O-CB 3.47Å; T746-A749 PolarHBondContact O-N 3.49Å; T746-A749 VanDerWaalsContact O-N 3.14Å; A747-A749 VanDerWaalsContact C-N 3.27Å; A747-A749 PolarHBondContact O-N 3.43Å; A749-L753 WeakPolarHBondContact O-CB 3.42Å; A749-L753 WeakPolarHBondContact O-CG 3.4Å; A749-L753 PolarHBondContact O-N 3.46Å; A749-F798 HydrophobicContact CB-CZ 4.25Å
750I82.2Confident83.3Confident41 Ų4143.6 Ų43.621%0.2128%0.275CS..Hα-helixtrans-68.1-56.9-176.2-66.1159.7000110.6D748 L752 L753 E754 F798 E800 L803D748-I750 VanDerWaalsContact C-N 3.27Å; D748-I750 PolarHBondContact O-N 3.2Å; I750-L752 VanDerWaalsContact C-N 3.27Å; I750-L752 PolarHBondContact O-N 3.47Å; I750-L753 PolarHBondContact O-N 2.97Å; I750-L753 VanDerWaalsContact O-N 3.11Å; I750-E754 HydrophobicContact CG2-CG 4.49Å; I750-E754 WeakPolarHBondContact O-CG 3.45Å; I750-E754 PolarHBondContact O-N 3.49Å; I750-F798 HydrophobicContact CD1-CD1 4.1Å; I750-F798 HydrophobicContact CD1-CE1 4.24Å; I750-F798 HydrophobicContact CG1-CD1 3.7Å; I750-F798 HydrophobicContact CG1-CE1 3.72Å; I750-E800 HydrophobicContact CD1-CG 3.91Å; I750-E800 WeakPolarHBondContact CD1-OE1 3.34Å; I750-E800 HydrophobicContact CG1-CG 4.48Å; I750-E800 HydrophobicContact CG2-CB 4.37Å; I750-E800 HydrophobicContact CG2-CG 4.07Å; I750-L803 HydrophobicContact CG1-CD2 4.42Å; I750-L803 HydrophobicContact CG2-CD2 4.23Å
751D80.8Confident83.3Confident104 Ų10443.8 Ų43.856%0.55628%0.277SS*.Hα-helixtrans-60.9-39.3-178.1-68.4-19.6000111.7E754 M755D751-E754 PolarHBondContact O-N 3.39Å; D751-M755 WeakPolarHBondContact O-CB 3.22Å; D751-M755 VanDerWaalsContact O-CG 3.31Å; D751-M755 WeakPolarHBondContact O-CG 3.13Å; D751-M755 PolarHBondContact O-N 2.87Å
752L87.7Confident83.4Confident14 Ų1442.4 Ų42.47%0.07327%0.266CS..Hα-helixtrans-60.6-47.1175.1-179.761.6000111.7F702 T706 F709 V740 D748 I750 Y756F702-L752 HydrophobicContact CE2-CD1 3.78Å; F702-L752 HydrophobicContact CZ-CD1 4.05Å; T706-L752 HydrophobicContact CG2-CD1 3.75Å; F709-L752 HydrophobicContact CE2-CD1 4Å; F709-L752 HydrophobicContact CZ-CD1 4.39Å; V740-L752 HydrophobicContact CG1-CD2 4.33Å; V740-L752 HydrophobicContact CG1-CG 4.19Å; V740-L752 HydrophobicContact CG2-CD1 4.04Å; V740-L752 HydrophobicContact CG2-CG 4.29Å; D748-L752 WeakPolarHBondContact O-CB 3.38Å; D748-L752 PolarHBondContact O-N 3.04Å; I750-L752 VanDerWaalsContact C-N 3.27Å; I750-L752 PolarHBondContact O-N 3.47Å; L752-Y756 VanDerWaalsContact O-CB 3.28Å; L752-Y756 WeakPolarHBondContact O-CB 3.45Å; L752-Y756 PolarHBondContact O-N 3.28Å
753L89.3Confident83.5Confident0 Ų039 Ų390%024%0.237CC..Hα-helixtrans-65.7-40.7177.7-78.9173.3000112.1V740 L744 A749 I750 M755 Y756 L757 L791 A795 F798 L803V740-L753 HydrophobicContact CG1-CD2 4.36Å; L744-L753 HydrophobicContact CD2-CD1 3.67Å; L744-L753 HydrophobicContact CD2-CD2 3.99Å; L744-L753 HydrophobicContact CD2-CG 3.8Å; A749-L753 WeakPolarHBondContact O-CB 3.42Å; A749-L753 WeakPolarHBondContact O-CG 3.4Å; A749-L753 PolarHBondContact O-N 3.46Å; I750-L753 PolarHBondContact O-N 2.97Å; I750-L753 VanDerWaalsContact O-N 3.11Å; L753-M755 PolarHBondContact O-N 3.3Å; L753-Y756 PolarHBondContact O-N 3.46Å; L753-L757 VanDerWaalsContact O-CB 3.29Å; L753-L757 WeakPolarHBondContact O-CB 3.41Å; L753-L757 VanDerWaalsContact O-CG 3.23Å; L753-L757 WeakPolarHBondContact O-CG 3.41Å; L753-L757 PolarHBondContact O-N 3.46Å; L753-L791 HydrophobicContact CD2-CB 4.12Å; L753-L791 HydrophobicContact CD2-CD2 4.15Å; L753-A795 HydrophobicContact CD1-CB 4.22Å; L753-F798 HydrophobicContact CD1-CD2 4.34Å; L753-F798 HydrophobicContact CD1-CE2 3.88Å; L753-L803 HydrophobicContact CB-CD1 3.66Å; L753-L803 HydrophobicContact CB-CD2 4.37Å; L753-L803 HydrophobicContact CD1-CD2 4.09Å
754E89.8Confident83.7Confident56 Ų5637.6 Ų37.626%0.26223%0.228SC..Hα-helixtrans-61.4-45.8178.2-72-157.9157.200111.5I750 D751 T758 L803 L806I750-E754 HydrophobicContact CG2-CG 4.49Å; I750-E754 WeakPolarHBondContact O-CG 3.45Å; I750-E754 PolarHBondContact O-N 3.49Å; D751-E754 PolarHBondContact O-N 3.39Å; E754-T758 VanDerWaalsContact O-CB 3.32Å; E754-T758 WeakPolarHBondContact O-CB 3.32Å; E754-T758 PolarHBondContact O-N 3.41Å; E754-T758 PolarHBondContact O-OG1 3.01Å; E754-L803 HydrophobicContact CG-CB 4.11Å; E754-L803 HydrophobicContact CG-CD1 3.84Å; E754-L803 PolarHBondContact OE1-N 2.84Å; E754-L803 VanDerWaalsContact OE1-N 3.16Å; E754-L806 HydrophobicContact CB-CD1 3.87Å; E754-L806 HydrophobicContact CG-CD1 3.97Å
755M90.7Very high84Confident59 Ų5938.7 Ų38.729%0.29123%0.232SC..Hα-helixtrans-66.5-43178.4-69.9-64.2-75.600111.8T706 F709 P710 D751 L753 T758 F759T706-M755 WeakPolarHBondContact O-CE 3.3Å; F709-M755 HydrophobicContact CD2-CB 3.68Å; F709-M755 HydrophobicContact CE2-CB 4.29Å; F709-M755 HydrophobicContact CG-CB 4.35Å; P710-M755 HydrophobicContact CG-CE 3.75Å; D751-M755 WeakPolarHBondContact O-CB 3.22Å; D751-M755 VanDerWaalsContact O-CG 3.31Å; D751-M755 WeakPolarHBondContact O-CG 3.13Å; D751-M755 PolarHBondContact O-N 2.87Å; L753-M755 PolarHBondContact O-N 3.3Å; M755-T758 PolarHBondContact O-N 2.96Å; M755-F759 PolarHBondContact O-N 2.91Å
756Y94.4Very high84.7Confident0 Ų039.4 Ų39.40%022%0.22CC..Hα-helixtrans-62-50.2175.9173.2-102.7000112.4F709 T737 V740 L752 L753 T758 F759 A760 S788 L791F709-Y756 AromaticContact CE1-CD2 3.83Å; F709-Y756 HydrophobicContact CE1-CD2 3.83Å; F709-Y756 HydrophobicContact CZ-CD2 4.27Å; T737-Y756 WeakPolarHBondContact CB-OH 3.21Å; T737-Y756 VanDerWaalsContact CG2-OH 3.27Å; T737-Y756 WeakPolarHBondContact CG2-OH 3.3Å; T737-Y756 WeakPolarHBondContact OG1-CE2 3.49Å; T737-Y756 PolarHBondContact OG1-OH 2.64Å; V740-Y756 HydrophobicContact CB-CD2 4.37Å; V740-Y756 HydrophobicContact CB-CG 4.44Å; V740-Y756 HydrophobicContact CG1-CD1 4.36Å; V740-Y756 HydrophobicContact CG1-CD2 4.49Å; V740-Y756 HydrophobicContact CG1-CG 4.07Å; V740-Y756 HydrophobicContact CG2-CD2 3.79Å; V740-Y756 HydrophobicContact CG2-CG 4.03Å; L752-Y756 VanDerWaalsContact O-CB 3.28Å; L752-Y756 WeakPolarHBondContact O-CB 3.45Å; L752-Y756 PolarHBondContact O-N 3.28Å; L753-Y756 PolarHBondContact O-N 3.46Å; Y756-T758 VanDerWaalsContact C-N 3.3Å; Y756-T758 PolarHBondContact O-N 3.03Å; Y756-F759 HydrophobicContact CD2-CD1 4.31Å; Y756-F759 HydrophobicContact CE2-CD1 4.38Å; Y756-F759 WeakPolarHBondContact O-CB 3.37Å; Y756-F759 PolarHBondContact O-N 3.38Å; Y756-F759 VanDerWaalsContact O-N 3.15Å; Y756-A760 HydrophobicContact CE1-CB 4.35Å; Y756-A760 WeakPolarHBondContact O-CB 3.41Å; Y756-A760 PolarHBondContact O-N 3.07Å; Y756-S788 WeakPolarHBondContact OH-CB 3.24Å; Y756-S788 PolarHBondContact OH-OG 3.2Å; Y756-L791 HydrophobicContact CD1-CD1 3.86Å; Y756-L791 HydrophobicContact CE1-CB 4.22Å; Y756-L791 HydrophobicContact CE1-CD1 3.39Å; Y756-L791 HydrophobicContact CE1-CG 4.44Å
757L94.4Very high85.8Confident0 Ų036.2 Ų36.20%020%0.201CC..Hα-helixtrans-63.9-38.8-178.8-72170.3000110.8L753 F759 A760 I761 A792 A795 L803 L806 A807 F810L753-L757 VanDerWaalsContact O-CB 3.29Å; L753-L757 WeakPolarHBondContact O-CB 3.41Å; L753-L757 VanDerWaalsContact O-CG 3.23Å; L753-L757 WeakPolarHBondContact O-CG 3.41Å; L753-L757 PolarHBondContact O-N 3.46Å; L757-F759 VanDerWaalsContact C-N 3.33Å; L757-F759 PolarHBondContact O-N 3.45Å; L757-A760 PolarHBondContact O-N 3.27Å; L757-I761 WeakPolarHBondContact O-CB 3.13Å; L757-I761 VanDerWaalsContact O-CD1 3.31Å; L757-I761 WeakPolarHBondContact O-CD1 3.37Å; L757-I761 WeakPolarHBondContact O-CG1 3.36Å; L757-I761 PolarHBondContact O-N 3.35Å; L757-A792 HydrophobicContact CD2-CB 4.01Å; L757-A795 HydrophobicContact CD1-CB 3.8Å; L757-L803 HydrophobicContact CD1-CD1 3.74Å; L757-L806 HydrophobicContact CB-CB 4.22Å; L757-L806 HydrophobicContact CD1-CB 4.3Å; L757-A807 HydrophobicContact CD1-CB 4.05Å; L757-F810 HydrophobicContact CD2-CB 4.09Å; L757-F810 HydrophobicContact CD2-CD1 4.1Å; L757-F810 HydrophobicContact CD2-CG 4.03Å
758T94Very high86.4Confident51 Ų5138.1 Ų38.131%0.31319%0.186SC..Hα-helixtrans-60.8-42174.1-62.40000112E754 M755 Y756 G762E754-T758 VanDerWaalsContact O-CB 3.32Å; E754-T758 WeakPolarHBondContact O-CB 3.32Å; E754-T758 PolarHBondContact O-N 3.41Å; E754-T758 PolarHBondContact O-OG1 3.01Å; M755-T758 PolarHBondContact O-N 2.96Å; Y756-T758 VanDerWaalsContact C-N 3.3Å; Y756-T758 PolarHBondContact O-N 3.03Å; T758-G762 PolarHBondContact O-N 2.84Å
759F94.7Very high86.4Confident2 Ų234.5 Ų34.51%0.00917%0.169CC..Hα-helixtrans-62-53.8172.3157.6-100.8000111.5F709 M712 R713 F716 F733 L736 M755 Y756 L757 I761 G762 V763F709-F759 HydrophobicContact CB-CB 3.96Å; F709-F759 HydrophobicContact CD1-CB 3.78Å; F709-F759 AromaticContact CD1-CD1 3.95Å; F709-F759 HydrophobicContact CD1-CD1 3.95Å; F709-F759 AromaticContact CD1-CG 3.84Å; F709-F759 HydrophobicContact CD1-CG 3.84Å; F709-F759 HydrophobicContact CE1-CD1 4.34Å; F709-F759 HydrophobicContact CG-CB 4.24Å; M712-F759 HydrophobicContact CB-CD2 4.37Å; M712-F759 HydrophobicContact CB-CE2 3.95Å; R713-F759 HydrophobicContact CB-CD2 3.98Å; F716-F759 AromaticContact CD2-CE2 3.88Å; F716-F759 HydrophobicContact CD2-CE2 3.88Å; F716-F759 HydrophobicContact CD2-CZ 4.15Å; F716-F759 AromaticContact CE2-CE2 3.94Å; F716-F759 HydrophobicContact CE2-CE2 3.94Å; F716-F759 AromaticContact CE2-CZ 3.78Å; F716-F759 HydrophobicContact CE2-CZ 3.78Å; F716-F759 HydrophobicContact CZ-CZ 4.18Å; F733-F759 AromaticContact CD2-CE1 3.86Å; F733-F759 HydrophobicContact CD2-CE1 3.86Å; F733-F759 AromaticContact CD2-CZ 3.96Å; F733-F759 HydrophobicContact CD2-CZ 3.96Å; F733-F759 AromaticContact CE2-CE1 3.97Å; F733-F759 HydrophobicContact CE2-CE1 3.97Å; F733-F759 HydrophobicContact CE2-CZ 4.42Å; L736-F759 HydrophobicContact CD1-CE1 4.02Å; L736-F759 HydrophobicContact CD1-CE2 4.41Å; L736-F759 HydrophobicContact CD1-CZ 3.89Å; M755-F759 PolarHBondContact O-N 2.91Å; Y756-F759 HydrophobicContact CD2-CD1 4.31Å; Y756-F759 HydrophobicContact CE2-CD1 4.38Å; Y756-F759 WeakPolarHBondContact O-CB 3.37Å; Y756-F759 PolarHBondContact O-N 3.38Å; Y756-F759 VanDerWaalsContact O-N 3.15Å; L757-F759 VanDerWaalsContact C-N 3.33Å; L757-F759 PolarHBondContact O-N 3.45Å; F759-I761 VanDerWaalsContact C-N 3.34Å; F759-I761 PolarHBondContact O-N 3.06Å; F759-G762 WeakPolarHBondContact O-CA 3.24Å; F759-G762 PolarHBondContact O-N 3.24Å; F759-V763 HydrophobicContact CD2-CG2 3.96Å; F759-V763 HydrophobicContact CE1-CG2 4.41Å; F759-V763 HydrophobicContact CE2-CG2 3.52Å; F759-V763 HydrophobicContact CZ-CG2 3.77Å; F759-V763 WeakPolarHBondContact O-CG2 3.25Å; F759-V763 PolarHBondContact O-N 3.11Å
760A93.5Very high85.5Confident0 Ų043.2 Ų43.20%021%0.206CC..Hα-helixtrans-61.6-40.3-175.700000112.1Y756 L757 G762 V763 C764 F810Y756-A760 HydrophobicContact CE1-CB 4.35Å; Y756-A760 WeakPolarHBondContact O-CB 3.41Å; Y756-A760 PolarHBondContact O-N 3.07Å; L757-A760 PolarHBondContact O-N 3.27Å; A760-G762 PolarHBondContact O-N 3.36Å; A760-V763 PolarHBondContact O-N 3.3Å; A760-C764 WeakPolarHBondContact O-CB 3.3Å; A760-C764 PolarHBondContact O-N 3.16Å; A760-C764 PolarHBondContact O-SG 3.5Å; A760-F810 HydrophobicContact CB-CD2 3.95Å; A760-F810 HydrophobicContact CB-CE2 3.62Å; A760-F810 HydrophobicContact CB-CZ 4.43Å
761I92.8Very high84.1Confident5 Ų546.3 Ų46.33%0.02623%0.227CC..Hα-helixtrans-57.9-48.6171.4-70.1162.3000110.2L757 F759 V763 C764 Q765 L806 R809 F810L757-I761 WeakPolarHBondContact O-CB 3.13Å; L757-I761 VanDerWaalsContact O-CD1 3.31Å; L757-I761 WeakPolarHBondContact O-CD1 3.37Å; L757-I761 WeakPolarHBondContact O-CG1 3.36Å; L757-I761 PolarHBondContact O-N 3.35Å; F759-I761 VanDerWaalsContact C-N 3.34Å; F759-I761 PolarHBondContact O-N 3.06Å; I761-V763 VanDerWaalsContact C-N 3.34Å; I761-V763 PolarHBondContact O-N 2.92Å; I761-C764 PolarHBondContact O-N 3.46Å; I761-Q765 HydrophobicContact CG2-CG 4.16Å; I761-Q765 WeakPolarHBondContact O-CB 3.25Å; I761-Q765 VanDerWaalsContact O-CG 3.32Å; I761-Q765 WeakPolarHBondContact O-CG 3.3Å; I761-Q765 PolarHBondContact O-N 3.19Å; I761-L806 HydrophobicContact CD1-CD2 4.11Å; I761-L806 WeakPolarHBondContact CD1-O 3.43Å; I761-R809 HydrophobicContact CD1-CB 4.21Å; I761-R809 HydrophobicContact CD1-CG 4.07Å; I761-R809 HydrophobicContact CG2-CG 4.49Å; I761-F810 HydrophobicContact CD1-CB 4.06Å; I761-F810 HydrophobicContact CG1-CB 3.65Å; I761-F810 HydrophobicContact CG1-CD2 3.98Å; I761-F810 HydrophobicContact CG1-CG 4.32Å
762G90Very high82.6Confident8 Ų844.9 Ų44.98%0.08224%0.236CC..Hα-helixtrans-58.6-45.6-179.900000112.4T758 F759 A760 K766T758-G762 PolarHBondContact O-N 2.84Å; F759-G762 WeakPolarHBondContact O-CA 3.24Å; F759-G762 PolarHBondContact O-N 3.24Å; A760-G762 PolarHBondContact O-N 3.36Å; G762-K766 WeakPolarHBondContact O-CB 3.22Å; G762-K766 PolarHBondContact O-N 3.45Å
763V90.7Very high80.9Confident0 Ų046.5 Ų46.50%025%0.249CC..Hα-helixtrans-63-50176.81780000110.7F716 F759 A760 I761 Q765 C767 L778F716-V763 HydrophobicContact CB-CG2 3.89Å; F716-V763 HydrophobicContact CD1-CG1 3.68Å; F716-V763 HydrophobicContact CD1-CG2 4.03Å; F716-V763 HydrophobicContact CD2-CG2 4.33Å; F716-V763 HydrophobicContact CE1-CG1 4.19Å; F716-V763 HydrophobicContact CG-CG1 4.29Å; F716-V763 HydrophobicContact CG-CG2 3.83Å; F759-V763 HydrophobicContact CD2-CG2 3.96Å; F759-V763 HydrophobicContact CE1-CG2 4.41Å; F759-V763 HydrophobicContact CE2-CG2 3.52Å; F759-V763 HydrophobicContact CZ-CG2 3.77Å; F759-V763 WeakPolarHBondContact O-CG2 3.25Å; F759-V763 PolarHBondContact O-N 3.11Å; A760-V763 PolarHBondContact O-N 3.3Å; I761-V763 VanDerWaalsContact C-N 3.34Å; I761-V763 PolarHBondContact O-N 2.92Å; V763-Q765 PolarHBondContact O-N 3.41Å; V763-C767 HydrophobicContact CG1-CB 4.48Å; V763-C767 WeakPolarHBondContact O-CB 3.31Å; V763-C767 PolarHBondContact O-N 2.96Å; V763-C767 PolarHBondContact O-SG 2.83Å; V763-C767 VanDerWaalsContact O-SG 3.33Å; V763-L778 HydrophobicContact CG1-CD1 3.87Å; V763-L778 HydrophobicContact CG1-CG 4.25Å
764C88.2Confident79.1Confident0 Ų053.3 Ų53.30%028%0.281CS..Hα-helixtrans-63.1-39.4-179.7-66.90000112.7A760 I761 N776 V813 V817 F818A760-C764 WeakPolarHBondContact O-CB 3.3Å; A760-C764 PolarHBondContact O-N 3.16Å; A760-C764 PolarHBondContact O-SG 3.5Å; I761-C764 PolarHBondContact O-N 3.46Å; C764-N776 WeakPolarHBondContact CA-ND2 3.25Å; C764-N776 PolarHBondContact O-ND2 3.08Å; C764-V813 HydrophobicContact CB-CG1 3.65Å; C764-V817 WeakPolarHBondContact O-CG1 3.35Å; C764-F818 HydrophobicContact CB-CE2 4.2Å
765Q85.9Confident77.6Confident66 Ų6654.2 Ų54.231%0.30829%0.287SS..Hα-helixtrans-76.4-43.3-177.9-70.9-171.7-41.100112.9I761 V763 R768 V813I761-Q765 HydrophobicContact CG2-CG 4.16Å; I761-Q765 WeakPolarHBondContact O-CB 3.25Å; I761-Q765 VanDerWaalsContact O-CG 3.32Å; I761-Q765 WeakPolarHBondContact O-CG 3.3Å; I761-Q765 PolarHBondContact O-N 3.19Å; V763-Q765 PolarHBondContact O-N 3.41Å; Q765-R768 PolarHBondContact O-NE 3.2Å; Q765-V813 HydrophobicContact CG-CB 4.3Å; Q765-V813 HydrophobicContact CG-CG1 3.55Å; Q765-V813 HydrophobicContact CG-CG2 3.67Å
766K84.6Confident76.9Confident131 Ų13151.4 Ų51.457%0.5727%0.274SS*.Hα-helixtrans-99.1-21.5-166.5-65.3-175.2173.6-173.20114.5I717 G762 R768I717-K766 HydrophobicContact CD1-CB 4.35Å; I717-K766 HydrophobicContact CD1-CD 3.56Å; I717-K766 HydrophobicContact CG1-CB 3.92Å; I717-K766 HydrophobicContact CG1-CD 4.07Å; G762-K766 WeakPolarHBondContact O-CB 3.22Å; G762-K766 PolarHBondContact O-N 3.45Å; K766-R768 PolarHBondContact O-N 3.3Å
767C82.8Confident76.2Confident1 Ų152 Ų521%0.00728%0.276CS..  trans-8745.6-178.7-55.60000112.6V763 L777V763-C767 HydrophobicContact CG1-CB 4.48Å; V763-C767 WeakPolarHBondContact O-CB 3.31Å; V763-C767 PolarHBondContact O-N 2.96Å; V763-C767 PolarHBondContact O-SG 2.83Å; V763-C767 VanDerWaalsContact O-SG 3.33Å; C767-L777 HydrophobicContact CB-CB 4.23Å; C767-L777 PolarHBondContact O-N 2.86Å; C767-L777 VanDerWaalsContact O-N 3.1Å
768R71.5Confident75.6Confident144 Ų14452 Ų5254%0.54328%0.277SS..BIsolated β-bridgetrans-83136.6177.1-63.4-177.7-175.9-166.1-2.3109.9Q765 K766 K770Q765-R768 PolarHBondContact O-NE 3.2Å; K766-R768 PolarHBondContact O-N 3.3Å; R768-K770 PolarHBondContact O-N 3.12Å
769S61.5Low74.6Confident36 Ų3650.5 Ų50.525%0.25227%0.269SS..  trans-59.8135.7172.3178.90000110.9T771 N775S769-T771 PolarHBondContact O-N 3.35Å; S769-T771 VanDerWaalsContact O-N 3.14Å; S769-T771 PolarHBondContact OG-N 3.21Å; S769-T771 PolarHBondContact OG-OG1 3.28Å; S769-N775 WeakPolarHBondContact CB-O 3.31Å; S769-N775 PolarHBondContact N-O 3.43Å; S769-N775 VanDerWaalsContact N-O 3.17Å
770K57Low73.3Confident189 Ų18953.3 Ų53.382%0.82229%0.286SS*.THydrogen-bonded Turntrans-62.9-13171.9-71.1-174.7179.1178.50113.2R768 G772R768-K770 PolarHBondContact O-N 3.12Å; K770-G772 PolarHBondContact O-N 3.44Å; K770-G772 VanDerWaalsContact O-N 3.1Å
771T52Low72.1Confident107 Ų10754.9 Ų54.966%0.65630%0.298SS*.THydrogen-bonded Turntrans-76.912.7-174.560.20000114.9S769 S773S769-T771 PolarHBondContact O-N 3.35Å; S769-T771 VanDerWaalsContact O-N 3.14Å; S769-T771 PolarHBondContact OG-N 3.21Å; S769-T771 PolarHBondContact OG-OG1 3.28Å; T771-S773 PolarHBondContact O-N 2.86Å; T771-S773 PolarHBondContact OG1-OG 3.15Å
772G49.8Very low71Confident73 Ų7358 Ų5875%0.75333%0.33SS*.SBendtrans68.6-12.9174.800000115.4K770K770-G772 PolarHBondContact O-N 3.44Å; K770-G772 VanDerWaalsContact O-N 3.1Å
773S50.6Low70.4Confident48 Ų4858.4 Ų58.434%0.33633%0.333SS..SBendtrans-74.3148166.164.50000109.5T771 N775T771-S773 PolarHBondContact O-N 2.86Å; T771-S773 PolarHBondContact OG1-OG 3.15Å; S773-N775 PolarHBondContact O-N 2.95Å; S773-N775 VanDerWaalsContact OG-CB 3.29Å; S773-N775 WeakPolarHBondContact OG-CB 3.48Å; S773-N775 PolarHBondContact OG-ND2 3.17Å
774H51.6Low69.9Low144 Ų14463 Ų6367%0.66736%0.358SS*.SBendtrans-62.425.5176.4-68.6-88.6000114.3N776H774-N776 PolarHBondContact O-N 3.16Å; H774-N776 VanDerWaalsContact O-N 3.09Å
775N59.7Low69.9Low74 Ų7463.2 Ų63.240%0.39636%0.359SS..  trans-89.779.4-169.2-78.810.4000108.8S769 S773 T780S769-N775 WeakPolarHBondContact CB-O 3.31Å; S769-N775 PolarHBondContact N-O 3.43Å; S769-N775 VanDerWaalsContact N-O 3.17Å; S773-N775 PolarHBondContact O-N 2.95Å; S773-N775 VanDerWaalsContact OG-CB 3.29Å; S773-N775 WeakPolarHBondContact OG-CB 3.48Å; S773-N775 PolarHBondContact OG-ND2 3.17Å; N775-T780 HydrophobicContact CB-CG2 3.32Å
776N74.7Confident70.1Confident1 Ų160.3 Ų60.31%0.00535%0.346CS..BIsolated β-bridgetrans-57.8147.4163.1-174.9-67.6000109.5C764 H774 L778 A779 T780 V817 F818C764-N776 WeakPolarHBondContact CA-ND2 3.25Å; C764-N776 PolarHBondContact O-ND2 3.08Å; H774-N776 PolarHBondContact O-N 3.16Å; H774-N776 VanDerWaalsContact O-N 3.09Å; N776-L778 PolarHBondContact O-N 3.27Å; N776-L778 VanDerWaalsContact O-N 3.16Å; N776-L778 PolarHBondContact OD1-N 3.26Å; N776-A779 HydrophobicContact CB-CB 4.2Å; N776-A779 VanDerWaalsContact O-CB 3.31Å; N776-A779 WeakPolarHBondContact O-CB 3.41Å; N776-A779 PolarHBondContact O-N 3.42Å; N776-T780 PolarHBondContact O-N 3.39Å; N776-T780 PolarHBondContact O-OG1 2.91Å; N776-V817 HydrophobicContact CB-CG1 4.03Å; N776-F818 HydrophobicContact CB-CE1 3.88Å; N776-F818 HydrophobicContact CB-CZ 3.96Å
777L79.6Confident70.4Confident11 Ų1155.5 Ų55.56%0.05833%0.328CS..Hα-helixtrans-42.4-50.2173.7176.367.7000111.7F716 R726 L729 C767 A779 T780 S781F716-L777 HydrophobicContact CD1-CD2 4.08Å; F716-L777 HydrophobicContact CE1-CD2 4.36Å; R726-L777 HydrophobicContact CG-CD1 3.97Å; L729-L777 HydrophobicContact CB-CD2 4.25Å; L729-L777 HydrophobicContact CD1-CD2 3.87Å; C767-L777 HydrophobicContact CB-CB 4.23Å; C767-L777 PolarHBondContact O-N 2.86Å; C767-L777 VanDerWaalsContact O-N 3.1Å; L777-A779 VanDerWaalsContact C-N 3.33Å; L777-A779 PolarHBondContact O-N 3.17Å; L777-T780 PolarHBondContact O-N 2.81Å; L777-T780 PolarHBondContact O-OG1 3.18Å; L777-S781 PolarHBondContact O-N 2.99Å; L777-S781 PolarHBondContact O-OG 3.03Å
778L81.6Confident70.9Confident2 Ų255.5 Ų55.51%0.0133%0.327CS..Hα-helixtrans-66.3-32.8-177.7-58.6178.9000112.8L730 F733 V763 N776 S781 A783 L785 F818L730-L778 HydrophobicContact CD2-CD2 4.11Å; F733-L778 HydrophobicContact CD1-CD2 4.21Å; F733-L778 HydrophobicContact CD2-CD1 4.42Å; F733-L778 HydrophobicContact CD2-CD2 4.2Å; F733-L778 HydrophobicContact CE1-CD1 4.37Å; F733-L778 HydrophobicContact CE1-CD2 4.47Å; F733-L778 HydrophobicContact CE2-CD1 3.91Å; F733-L778 HydrophobicContact CE2-CD2 4.46Å; F733-L778 HydrophobicContact CG-CD2 4.07Å; F733-L778 HydrophobicContact CZ-CD1 3.88Å; V763-L778 HydrophobicContact CG1-CD1 3.87Å; V763-L778 HydrophobicContact CG1-CG 4.25Å; N776-L778 PolarHBondContact O-N 3.27Å; N776-L778 VanDerWaalsContact O-N 3.16Å; N776-L778 PolarHBondContact OD1-N 3.26Å; L778-S781 PolarHBondContact O-OG 2.96Å; L778-A783 HydrophobicContact CB-CB 3.99Å; L778-A783 HydrophobicContact CD2-CB 3.89Å; L778-A783 WeakPolarHBondContact O-CB 3.32Å; L778-A783 PolarHBondContact O-N 3.25Å; L778-A783 VanDerWaalsContact O-N 3.15Å; L778-L785 HydrophobicContact CD1-CD2 4.02Å; L778-F818 HydrophobicContact CB-CE1 4.09Å; L778-F818 HydrophobicContact CB-CZ 4.13Å
779A73.9Confident71.9Confident18 Ų1848.9 Ų48.915%0.14930%0.303CS..Hα-helixtrans-69.5-50.1179.600000110.7N776 L777 S781 F818 V822N776-A779 HydrophobicContact CB-CB 4.2Å; N776-A779 VanDerWaalsContact O-CB 3.31Å; N776-A779 WeakPolarHBondContact O-CB 3.41Å; N776-A779 PolarHBondContact O-N 3.42Å; L777-A779 VanDerWaalsContact C-N 3.33Å; L777-A779 PolarHBondContact O-N 3.17Å; A779-S781 PolarHBondContact O-N 3.38Å; A779-F818 HydrophobicContact CB-CD1 3.58Å; A779-F818 HydrophobicContact CB-CE1 3.66Å; A779-V822 HydrophobicContact CB-CG2 3.97Å
780T68.2Low73.2Confident61 Ų6153 Ų5337%0.37431%0.313SS..Hα-helixtrans-65.6-24.2-174.755.70000113.2R726 N775 N776 L777R726-T780 PolarHBondContact NH2-O 2.76Å; R726-T780 PolarHBondContact NH2-OG1 2.87Å; N775-T780 HydrophobicContact CB-CG2 3.32Å; N776-T780 PolarHBondContact O-N 3.39Å; N776-T780 PolarHBondContact O-OG1 2.91Å; L777-T780 PolarHBondContact O-N 2.81Å; L777-T780 PolarHBondContact O-OG1 3.18Å
781S68.2Low74.9Confident34 Ų3444.2 Ų44.224%0.23828%0.275CS..THydrogen-bonded Turntrans-102.2-0.6-169.655.60000114.1L730 L777 L778 A779 A783L730-S781 WeakPolarHBondContact CD2-OG 3.17Å; L777-S781 PolarHBondContact O-N 2.99Å; L777-S781 PolarHBondContact O-OG 3.03Å; L778-S781 PolarHBondContact O-OG 2.96Å; A779-S781 PolarHBondContact O-N 3.38Å; S781-A783 VanDerWaalsContact C-N 3.3Å; S781-A783 PolarHBondContact O-N 3.49Å
782G69.4Low76.8Confident69 Ų6939.1 Ų39.171%0.71124%0.244SC*.THydrogen-bonded Turntrans63.635.2-174.500000112.9D784G782-D784 PolarHBondContact O-N 2.92Å
783A76.4Confident78.7Confident17 Ų1736 Ų3614%0.1421%0.211CC..  trans-62.5129.217400000109.4L730 L778 S781 L785L730-A783 HydrophobicContact CD2-CB 3.84Å; L778-A783 HydrophobicContact CB-CB 3.99Å; L778-A783 HydrophobicContact CD2-CB 3.89Å; L778-A783 WeakPolarHBondContact O-CB 3.32Å; L778-A783 PolarHBondContact O-N 3.25Å; L778-A783 VanDerWaalsContact O-N 3.15Å; S781-A783 VanDerWaalsContact C-N 3.3Å; S781-A783 PolarHBondContact O-N 3.49Å; A783-L785 PolarHBondContact O-N 3.32Å; A783-L785 VanDerWaalsContact O-N 3.11Å
784D80.8Confident80.5Confident98 Ų9836.3 Ų36.352%0.52421%0.211SC..  trans-72.7105.8176.9-177.413.1000110.7G782 S786G782-D784 PolarHBondContact O-N 2.92Å; D784-S786 WeakPolarHBondContact OD1-CB 3.43Å; D784-S786 PolarHBondContact OD1-N 2.92Å
785L88.4Confident82.3Confident3 Ų329.4 Ų29.42%0.01618%0.179CC..  trans-88.4-4.5176.6-65.3174.2000112.8F733 L778 A783 V787 S788 V789 L814 F818 V822 L826F733-L785 HydrophobicContact CE1-CD2 4.01Å; F733-L785 HydrophobicContact CZ-CD2 4.06Å; L778-L785 HydrophobicContact CD1-CD2 4.02Å; A783-L785 PolarHBondContact O-N 3.32Å; A783-L785 VanDerWaalsContact O-N 3.11Å; L785-V787 VanDerWaalsContact C-N 3.32Å; L785-V787 PolarHBondContact O-N 3.09Å; L785-S788 WeakPolarHBondContact O-CB 3.48Å; L785-S788 PolarHBondContact O-N 3.33Å; L785-V789 WeakPolarHBondContact O-CG2 3.22Å; L785-V789 PolarHBondContact O-N 2.91Å; L785-L814 HydrophobicContact CD1-CD2 4.08Å; L785-F818 HydrophobicContact CD1-CD1 4.4Å; L785-F818 HydrophobicContact CD1-CE1 3.95Å; L785-F818 HydrophobicContact CD1-CE2 4.42Å; L785-F818 HydrophobicContact CD1-CZ 3.97Å; L785-V822 HydrophobicContact CD1-CG1 4.4Å; L785-L826 HydrophobicContact CB-CD1 3.85Å; L785-L826 HydrophobicContact CB-CD2 4.07Å; L785-L826 HydrophobicContact CD1-CD1 4.11Å
786S90Very high83.7Confident5 Ų526 Ų264%0.03516%0.16CC..Hα-helixtrans-54.8-46.5-177.4174.90000111.7D784 S788 V789 R790 E829 H830D784-S786 WeakPolarHBondContact OD1-CB 3.43Å; D784-S786 PolarHBondContact OD1-N 2.92Å; S786-S788 PolarHBondContact O-N 3.05Å; S786-V789 PolarHBondContact O-N 3.25Å; S786-R790 WeakPolarHBondContact O-CG 3.33Å; S786-R790 PolarHBondContact O-N 3.37Å; S786-E829 PolarHBondContact OG-OE1 3.34Å; S786-E829 PolarHBondContact OG-OE2 3.17Å; S786-H830 PolarHBondContact OG-NE2 2.83Å
787V91.2Very high84.1Confident31 Ų3129.5 Ų29.519%0.18819%0.185CC..Hα-helixtrans-63.4-42.8176.5-174.60000111.1T737 A741 L785 V789 R790 L791T737-V787 HydrophobicContact CG2-CB 3.62Å; T737-V787 HydrophobicContact CG2-CG1 3.53Å; A741-V787 HydrophobicContact CB-CG1 3.69Å; L785-V787 VanDerWaalsContact C-N 3.32Å; L785-V787 PolarHBondContact O-N 3.09Å; V787-V789 VanDerWaalsContact C-N 3.33Å; V787-V789 PolarHBondContact O-N 3.26Å; V787-R790 PolarHBondContact O-N 2.99Å; V787-L791 HydrophobicContact CG1-CD1 4.37Å; V787-L791 HydrophobicContact CG1-CG 4.44Å; V787-L791 VanDerWaalsContact O-CG 3.31Å; V787-L791 WeakPolarHBondContact O-CG 3.12Å; V787-L791 PolarHBondContact O-N 2.86Å
788S92.3Very high84.3Confident0 Ų031.5 Ų31.50%019%0.193CC..Hα-helixtrans-62.4-40.7179.7-58.80000112.6Y756 L785 S786 L791 A792Y756-S788 WeakPolarHBondContact OH-CB 3.24Å; Y756-S788 PolarHBondContact OH-OG 3.2Å; L785-S788 WeakPolarHBondContact O-CB 3.48Å; L785-S788 PolarHBondContact O-N 3.33Å; S786-S788 PolarHBondContact O-N 3.05Å; S788-L791 PolarHBondContact O-N 3.37Å; S788-A792 PolarHBondContact O-N 3.38Å
789V92.2Very high84.3Confident6 Ų637 Ų374%0.03622%0.223CC..Hα-helixtrans-65.1-43176.5171.90000110.4L785 S786 V787 L791 A792 A793 L811 L814 H830 I834L785-V789 WeakPolarHBondContact O-CG2 3.22Å; L785-V789 PolarHBondContact O-N 2.91Å; S786-V789 PolarHBondContact O-N 3.25Å; V787-V789 VanDerWaalsContact C-N 3.33Å; V787-V789 PolarHBondContact O-N 3.26Å; V789-L791 PolarHBondContact O-N 3.04Å; V789-A792 PolarHBondContact O-N 2.95Å; V789-A793 WeakPolarHBondContact O-CB 3.49Å; V789-A793 PolarHBondContact O-N 3.47Å; V789-L811 HydrophobicContact CG1-CD2 4.34Å; V789-L814 HydrophobicContact CG2-CD1 3.64Å; V789-H830 HydrophobicContact CG1-CB 3.72Å; V789-I834 HydrophobicContact CG1-CD1 3.45Å; V789-I834 VanDerWaalsContact CG1-CD1 3.45Å; V789-I834 HydrophobicContact CG1-CG1 4.3Å
790R90.7Very high84.6Confident122 Ų12239.7 Ų39.746%0.4623%0.233SC..Hα-helixtrans-61.4-40.9173.8-74.2-175.1-71.4174.8-3.5112.6S786 V787 A792 A793 V794S786-R790 WeakPolarHBondContact O-CG 3.33Å; S786-R790 PolarHBondContact O-N 3.37Å; V787-R790 PolarHBondContact O-N 2.99Å; R790-A792 VanDerWaalsContact C-N 3.33Å; R790-A792 PolarHBondContact O-N 3.13Å; R790-A793 WeakPolarHBondContact O-CB 3.31Å; R790-A793 PolarHBondContact O-N 2.93Å; R790-V794 WeakPolarHBondContact O-CB 3.3Å; R790-V794 VanDerWaalsContact O-CG2 3.32Å; R790-V794 WeakPolarHBondContact O-CG2 3.41Å; R790-V794 PolarHBondContact O-N 3.37Å
791L91.8Very high85.2Confident4 Ų440 Ų402%0.02123%0.231CC..Hα-helixtrans-61-42.5175-68.3175.3000111.7T737 V740 A741 L744 L753 Y756 V787 S788 V789 V794 A795T737-L791 HydrophobicContact CG2-CD1 4.23Å; V740-L791 HydrophobicContact CB-CD1 4.19Å; V740-L791 HydrophobicContact CG1-CD1 3.75Å; V740-L791 HydrophobicContact CG1-CD2 4.09Å; A741-L791 HydrophobicContact CB-CD2 4.05Å; L744-L791 HydrophobicContact CD1-CD2 3.32Å; L744-L791 HydrophobicContact CG-CD2 4.16Å; L753-L791 HydrophobicContact CD2-CB 4.12Å; L753-L791 HydrophobicContact CD2-CD2 4.15Å; Y756-L791 HydrophobicContact CD1-CD1 3.86Å; Y756-L791 HydrophobicContact CE1-CB 4.22Å; Y756-L791 HydrophobicContact CE1-CD1 3.39Å; Y756-L791 HydrophobicContact CE1-CG 4.44Å; V787-L791 HydrophobicContact CG1-CD1 4.37Å; V787-L791 HydrophobicContact CG1-CG 4.44Å; V787-L791 VanDerWaalsContact O-CG 3.31Å; V787-L791 WeakPolarHBondContact O-CG 3.12Å; V787-L791 PolarHBondContact O-N 2.86Å; S788-L791 PolarHBondContact O-N 3.37Å; V789-L791 PolarHBondContact O-N 3.04Å; L791-V794 PolarHBondContact O-N 3.33Å; L791-A795 WeakPolarHBondContact O-CB 3.08Å; L791-A795 PolarHBondContact O-N 3.29Å
792A92.6Very high85.8Confident0 Ų039.4 Ų39.40%023%0.23CC..Hα-helixtrans-67.7-37.8175.900000112.6L757 S788 V789 R790 A795 I796 A807 F810 L811L757-A792 HydrophobicContact CD2-CB 4.01Å; S788-A792 PolarHBondContact O-N 3.38Å; V789-A792 PolarHBondContact O-N 2.95Å; R790-A792 VanDerWaalsContact C-N 3.33Å; R790-A792 PolarHBondContact O-N 3.13Å; A792-A795 WeakPolarHBondContact O-CB 3.42Å; A792-A795 PolarHBondContact O-N 3.44Å; A792-I796 WeakPolarHBondContact O-CG1 3.15Å; A792-I796 PolarHBondContact O-N 3.05Å; A792-I796 VanDerWaalsContact O-N 3.12Å; A792-A807 HydrophobicContact CB-CB 4.46Å; A792-A807 WeakPolarHBondContact O-CB 3.26Å; A792-F810 HydrophobicContact CB-CD1 3.54Å; A792-F810 HydrophobicContact CB-CE1 4.01Å; A792-L811 HydrophobicContact CB-CD1 4.37Å; A792-L811 HydrophobicContact CB-CD2 4.01Å; A792-L811 HydrophobicContact CB-CG 4.01Å
793A89.7Confident86.5Confident9 Ų936.1 Ų36.17%0.07420%0.196CC..Hα-helixtrans-61.6-48173.800000111V789 R790 A795 I796 I834 Q837V789-A793 WeakPolarHBondContact O-CB 3.49Å; V789-A793 PolarHBondContact O-N 3.47Å; R790-A793 WeakPolarHBondContact O-CB 3.31Å; R790-A793 PolarHBondContact O-N 2.93Å; A793-A795 VanDerWaalsContact C-N 3.31Å; A793-A795 PolarHBondContact O-N 2.91Å; A793-I796 PolarHBondContact O-N 3.21Å; A793-I796 VanDerWaalsContact O-N 3.15Å; A793-I834 HydrophobicContact CB-CG1 4.44Å; A793-Q837 VanDerWaalsContact C-OE1 3.26Å; A793-Q837 VanDerWaalsContact CA-OE1 3.28Å; A793-Q837 VanDerWaalsContact CB-OE1 3.22Å; A793-Q837 PolarHBondContact O-OE1 2.69Å
794V88.3Confident86.9Confident53 Ų5335.3 Ų35.332%0.32119%0.19SC..Hα-helixtrans-57.3-44.7172.8168.60000110.9L744 R790 L791 I796 S797 F798L744-V794 HydrophobicContact CD1-CG1 4.39Å; L744-V794 HydrophobicContact CD2-CG1 4.36Å; R790-V794 WeakPolarHBondContact O-CB 3.3Å; R790-V794 VanDerWaalsContact O-CG2 3.32Å; R790-V794 WeakPolarHBondContact O-CG2 3.41Å; R790-V794 PolarHBondContact O-N 3.37Å; L791-V794 PolarHBondContact O-N 3.33Å; V794-I796 VanDerWaalsContact C-N 3.26Å; V794-I796 PolarHBondContact O-N 3.03Å; V794-S797 WeakPolarHBondContact O-CB 3.39Å; V794-S797 PolarHBondContact O-N 3.18Å; V794-S797 PolarHBondContact O-OG 3Å; V794-F798 HydrophobicContact CG1-CE2 3.86Å; V794-F798 WeakPolarHBondContact O-CD2 3.49Å
795A89.3Confident87.2Confident0 Ų036.5 Ų36.50%019%0.187CC..Hα-helixtrans-60-29.417800000114.2L753 L757 L791 A792 A793 S797 F798 L803 A807L753-A795 HydrophobicContact CD1-CB 4.22Å; L757-A795 HydrophobicContact CD1-CB 3.8Å; L791-A795 WeakPolarHBondContact O-CB 3.08Å; L791-A795 PolarHBondContact O-N 3.29Å; A792-A795 WeakPolarHBondContact O-CB 3.42Å; A792-A795 PolarHBondContact O-N 3.44Å; A793-A795 VanDerWaalsContact C-N 3.31Å; A793-A795 PolarHBondContact O-N 2.91Å; A795-S797 VanDerWaalsContact C-N 3.27Å; A795-S797 PolarHBondContact O-N 3.46Å; A795-F798 PolarHBondContact O-N 3.01Å; A795-L803 HydrophobicContact CB-CD1 3.74Å; A795-L803 HydrophobicContact CB-CD2 4.22Å; A795-L803 HydrophobicContact CB-CG 3.83Å; A795-A807 HydrophobicContact CB-CB 3.66Å
796I88Confident87.3Confident1 Ų137.4 Ų37.41%0.00519%0.192CC..Hα-helixtrans-70.4-24.4174.9-69.8168000112A792 A793 V794 F798 A807 L811 Q837 L854 I857A792-I796 WeakPolarHBondContact O-CG1 3.15Å; A792-I796 PolarHBondContact O-N 3.05Å; A792-I796 VanDerWaalsContact O-N 3.12Å; A793-I796 PolarHBondContact O-N 3.21Å; A793-I796 VanDerWaalsContact O-N 3.15Å; V794-I796 VanDerWaalsContact C-N 3.26Å; V794-I796 PolarHBondContact O-N 3.03Å; I796-F798 VanDerWaalsContact C-N 3.32Å; I796-A807 HydrophobicContact CD1-CB 4.49Å; I796-A807 HydrophobicContact CG1-CB 3.79Å; I796-L811 HydrophobicContact CD1-CD1 3.58Å; I796-Q837 HydrophobicContact CG2-CB 4.48Å; I796-L854 HydrophobicContact CG2-CD2 4.16Å; I796-I857 HydrophobicContact CD1-CD1 3.96Å
797S84Confident87.4Confident75 Ų7537.1 Ų37.152%0.52419%0.19SC..Hα-helixtrans-77.6-16.1179.874.70000114.1V794 A795V794-S797 WeakPolarHBondContact O-CB 3.39Å; V794-S797 PolarHBondContact O-N 3.18Å; V794-S797 PolarHBondContact O-OG 3Å; A795-S797 VanDerWaalsContact C-N 3.27Å; A795-S797 PolarHBondContact O-N 3.46Å
798F83.4Confident87.4Confident53 Ų5335.7 Ų35.723%0.23218%0.181CC..SBendtrans-71.7162.7175.9-81.5-89000112.1A749 I750 L753 V794 A795 I796 E800 L803 R841A749-F798 HydrophobicContact CB-CZ 4.25Å; I750-F798 HydrophobicContact CD1-CD1 4.1Å; I750-F798 HydrophobicContact CD1-CE1 4.24Å; I750-F798 HydrophobicContact CG1-CD1 3.7Å; I750-F798 HydrophobicContact CG1-CE1 3.72Å; L753-F798 HydrophobicContact CD1-CD2 4.34Å; L753-F798 HydrophobicContact CD1-CE2 3.88Å; V794-F798 HydrophobicContact CG1-CE2 3.86Å; V794-F798 WeakPolarHBondContact O-CD2 3.49Å; A795-F798 PolarHBondContact O-N 3.01Å; I796-F798 VanDerWaalsContact C-N 3.32Å; F798-E800 WeakPolarHBondContact CB-OE2 3.43Å; F798-L803 HydrophobicContact CB-CD2 3.8Å; F798-L803 HydrophobicContact CD1-CD2 4.49Å; F798-L803 HydrophobicContact CD2-CD2 3.89Å; F798-L803 HydrophobicContact CG-CD2 3.81Å; F798-R841 PolarHBondContact O-NH1 3.43Å
799N80.7Confident87.4Confident117 Ų11741.9 Ų41.963%0.62621%0.205SC*.SBendtrans-91.2-13.1-180-73.7-31.2000112.7I801 R841N799-I801 PolarHBondContact O-N 3.3Å; N799-R841 PolarHBondContact OD1-NH1 3.41Å
800E81.4Confident87.5Confident76 Ų7641.6 Ų41.636%0.35520%0.203SC..  trans-73.8113.1-175.4-70.271.4-159.200111.3I750 F798 G802 L803 I804I750-E800 HydrophobicContact CD1-CG 3.91Å; I750-E800 WeakPolarHBondContact CD1-OE1 3.34Å; I750-E800 HydrophobicContact CG1-CG 4.48Å; I750-E800 HydrophobicContact CG2-CB 4.37Å; I750-E800 HydrophobicContact CG2-CG 4.07Å; F798-E800 WeakPolarHBondContact CB-OE2 3.43Å; E800-G802 VanDerWaalsContact C-N 3.3Å; E800-G802 PolarHBondContact O-N 3.25Å; E800-L803 HydrophobicContact CB-CB 4.1Å; E800-L803 PolarHBondContact O-N 3.23Å; E800-L803 VanDerWaalsContact O-N 3.17Å; E800-I804 WeakPolarHBondContact O-CG1 3.47Å; E800-I804 PolarHBondContact O-N 3.07Å
801I81.1Confident87.6Confident66 Ų6636.1 Ų36.134%0.33818%0.183SC..Hα-helixtrans-56.4-41.9-177.2-66.7153.1000112.7N799 L803 I804 R805 L847 Y849N799-I801 PolarHBondContact O-N 3.3Å; I801-L803 VanDerWaalsContact C-N 3.32Å; I801-L803 PolarHBondContact O-N 3.09Å; I801-I804 PolarHBondContact O-N 3.38Å; I801-R805 WeakPolarHBondContact O-CB 3.43Å; I801-R805 PolarHBondContact O-N 2.67Å; I801-L847 HydrophobicContact CD1-CD1 3.3Å; I801-L847 HydrophobicContact CG1-CD1 3.6Å; I801-Y849 HydrophobicContact CG2-CE2 3.5Å
802G80.3Confident87.6Confident22 Ų2236.3 Ų36.323%0.22718%0.184CC..Hα-helixtrans-58.3-46.6179.200000111.6E800 R805 L806E800-G802 VanDerWaalsContact C-N 3.3Å; E800-G802 PolarHBondContact O-N 3.25Å; G802-R805 PolarHBondContact O-N 3.02Å; G802-L806 WeakPolarHBondContact O-CG 3.34Å; G802-L806 PolarHBondContact O-N 3.12Å
803L84.2Confident87.4Confident0 Ų036.8 Ų36.80%019%0.187CC..Hα-helixtrans-67.1-44.5179.1-177.357.9000112.5I750 L753 E754 L757 A795 F798 E800 I801 R805 L806 A807I750-L803 HydrophobicContact CG1-CD2 4.42Å; I750-L803 HydrophobicContact CG2-CD2 4.23Å; L753-L803 HydrophobicContact CB-CD1 3.66Å; L753-L803 HydrophobicContact CB-CD2 4.37Å; L753-L803 HydrophobicContact CD1-CD2 4.09Å; E754-L803 HydrophobicContact CG-CB 4.11Å; E754-L803 HydrophobicContact CG-CD1 3.84Å; E754-L803 PolarHBondContact OE1-N 2.84Å; E754-L803 VanDerWaalsContact OE1-N 3.16Å; L757-L803 HydrophobicContact CD1-CD1 3.74Å; A795-L803 HydrophobicContact CB-CD1 3.74Å; A795-L803 HydrophobicContact CB-CD2 4.22Å; A795-L803 HydrophobicContact CB-CG 3.83Å; F798-L803 HydrophobicContact CB-CD2 3.8Å; F798-L803 HydrophobicContact CD1-CD2 4.49Å; F798-L803 HydrophobicContact CD2-CD2 3.89Å; F798-L803 HydrophobicContact CG-CD2 3.81Å; E800-L803 HydrophobicContact CB-CB 4.1Å; E800-L803 PolarHBondContact O-N 3.23Å; E800-L803 VanDerWaalsContact O-N 3.17Å; I801-L803 VanDerWaalsContact C-N 3.32Å; I801-L803 PolarHBondContact O-N 3.09Å; L803-R805 VanDerWaalsContact C-N 3.31Å; L803-R805 PolarHBondContact O-N 3.13Å; L803-L806 PolarHBondContact O-N 2.96Å; L803-L806 VanDerWaalsContact O-N 3.16Å; L803-A807 WeakPolarHBondContact O-CB 3.25Å; L803-A807 PolarHBondContact O-N 3.21Å
804I85.2Confident87.4Confident0 Ų036.6 Ų36.60%019%0.185CC..Hα-helixtrans-58.9-44.7176-63.5164.9000110.6E800 I801 L806 A807 S808 L854E800-I804 WeakPolarHBondContact O-CG1 3.47Å; E800-I804 PolarHBondContact O-N 3.07Å; I801-I804 PolarHBondContact O-N 3.38Å; I804-L806 PolarHBondContact O-N 3.24Å; I804-A807 PolarHBondContact O-N 2.89Å; I804-S808 VanDerWaalsContact O-CB 3.28Å; I804-S808 WeakPolarHBondContact O-CB 3.28Å; I804-S808 PolarHBondContact O-N 3.4Å; I804-S808 PolarHBondContact O-OG 2.93Å; I804-L854 HydrophobicContact CG2-CD2 4.41Å
805R86.4Confident87.4Confident123 Ų12334.6 Ų34.646%0.46417%0.172SC..Hα-helixtrans-60.6-43.5176.6179.3-178.967.9177.5-0.3111.8I801 G802 L803 R809 Y853I801-R805 WeakPolarHBondContact O-CB 3.43Å; I801-R805 PolarHBondContact O-N 2.67Å; G802-R805 PolarHBondContact O-N 3.02Å; L803-R805 VanDerWaalsContact C-N 3.31Å; L803-R805 PolarHBondContact O-N 3.13Å; R805-R809 VanDerWaalsContact O-CB 3.23Å; R805-R809 WeakPolarHBondContact O-CB 3.18Å; R805-R809 PolarHBondContact O-N 3.37Å; R805-Y853 HydrophobicContact CB-CD2 3.93Å; R805-Y853 HydrophobicContact CB-CE2 3.85Å; R805-Y853 WeakPolarHBondContact CD-OH 3.34Å; R805-Y853 HydrophobicContact CG-CD1 4.41Å; R805-Y853 HydrophobicContact CG-CD2 3.92Å; R805-Y853 HydrophobicContact CG-CE1 4.07Å; R805-Y853 HydrophobicContact CG-CE2 3.52Å; R805-Y853 HydrophobicContact CG-CG 4.36Å
806L89.6Confident87.2Confident22 Ų2241.1 Ų41.112%0.11520%0.201CC..Hα-helixtrans-66-45.9177.9-74.5172.4000111.6E754 L757 I761 G802 L803 I804 S808 R809 F810E754-L806 HydrophobicContact CB-CD1 3.87Å; E754-L806 HydrophobicContact CG-CD1 3.97Å; L757-L806 HydrophobicContact CB-CB 4.22Å; L757-L806 HydrophobicContact CD1-CB 4.3Å; I761-L806 HydrophobicContact CD1-CD2 4.11Å; I761-L806 WeakPolarHBondContact CD1-O 3.43Å; G802-L806 WeakPolarHBondContact O-CG 3.34Å; G802-L806 PolarHBondContact O-N 3.12Å; L803-L806 PolarHBondContact O-N 2.96Å; L803-L806 VanDerWaalsContact O-N 3.16Å; I804-L806 PolarHBondContact O-N 3.24Å; L806-S808 VanDerWaalsContact C-N 3.34Å; L806-S808 PolarHBondContact O-N 3.23Å; L806-R809 PolarHBondContact O-N 3.41Å; L806-F810 WeakPolarHBondContact O-CB 2.8Å; L806-F810 PolarHBondContact O-N 2.94Å
807A93.1Very high86.9Confident0 Ų041.4 Ų41.40%020%0.203CC..Hα-helixtrans-60.5-45.4177.600000111.7L757 A792 A795 I796 L803 I804 F810 L811L757-A807 HydrophobicContact CD1-CB 4.05Å; A792-A807 HydrophobicContact CB-CB 4.46Å; A792-A807 WeakPolarHBondContact O-CB 3.26Å; A795-A807 HydrophobicContact CB-CB 3.66Å; I796-A807 HydrophobicContact CD1-CB 4.49Å; I796-A807 HydrophobicContact CG1-CB 3.79Å; L803-A807 WeakPolarHBondContact O-CB 3.25Å; L803-A807 PolarHBondContact O-N 3.21Å; I804-A807 PolarHBondContact O-N 2.89Å; A807-F810 WeakPolarHBondContact O-CB 3.05Å; A807-F810 PolarHBondContact O-N 3.25Å; A807-L811 WeakPolarHBondContact O-CG 3.32Å; A807-L811 PolarHBondContact O-N 3.36Å
808S91.1Very high86.9Confident1 Ų138.1 Ų38.11%0.00718%0.179CC..Hα-helixtrans-62.7-45.8177.5-55.50000111.5I804 L806 F810 L811 S812I804-S808 VanDerWaalsContact O-CB 3.28Å; I804-S808 WeakPolarHBondContact O-CB 3.28Å; I804-S808 PolarHBondContact O-N 3.4Å; I804-S808 PolarHBondContact O-OG 2.93Å; L806-S808 VanDerWaalsContact C-N 3.34Å; L806-S808 PolarHBondContact O-N 3.23Å; S808-F810 VanDerWaalsContact C-N 3.33Å; S808-F810 PolarHBondContact O-N 3.35Å; S808-L811 PolarHBondContact O-N 3.47Å; S808-S812 WeakPolarHBondContact O-CB 3.21Å; S808-S812 PolarHBondContact O-N 3.46Å; S808-S812 PolarHBondContact O-OG 3.39Å
809R91.9Very high86.7Confident130 Ų13037.1 Ų37.149%0.49118%0.183SC..Hα-helixtrans-60.2-42175-179.9176.4170.9176.6-1.9111.9I761 R805 L806 V813I761-R809 HydrophobicContact CD1-CB 4.21Å; I761-R809 HydrophobicContact CD1-CG 4.07Å; I761-R809 HydrophobicContact CG2-CG 4.49Å; R805-R809 VanDerWaalsContact O-CB 3.23Å; R805-R809 WeakPolarHBondContact O-CB 3.18Å; R805-R809 PolarHBondContact O-N 3.37Å; L806-R809 PolarHBondContact O-N 3.41Å; R809-V813 HydrophobicContact CG-CG2 4.45Å; R809-V813 WeakPolarHBondContact O-CB 3.41Å; R809-V813 WeakPolarHBondContact O-CG2 3.37Å; R809-V813 PolarHBondContact O-N 3.42Å
810F94.5Very high86.6Confident0 Ų037.4 Ų37.40%018%0.181CC..Hα-helixtrans-60.7-50.8176.9173.8-104.6000111.7L757 A760 I761 A792 L806 A807 S808 S812 V813 L814L757-F810 HydrophobicContact CD2-CB 4.09Å; L757-F810 HydrophobicContact CD2-CD1 4.1Å; L757-F810 HydrophobicContact CD2-CG 4.03Å; A760-F810 HydrophobicContact CB-CD2 3.95Å; A760-F810 HydrophobicContact CB-CE2 3.62Å; A760-F810 HydrophobicContact CB-CZ 4.43Å; I761-F810 HydrophobicContact CD1-CB 4.06Å; I761-F810 HydrophobicContact CG1-CB 3.65Å; I761-F810 HydrophobicContact CG1-CD2 3.98Å; I761-F810 HydrophobicContact CG1-CG 4.32Å; A792-F810 HydrophobicContact CB-CD1 3.54Å; A792-F810 HydrophobicContact CB-CE1 4.01Å; L806-F810 WeakPolarHBondContact O-CB 2.8Å; L806-F810 PolarHBondContact O-N 2.94Å; A807-F810 WeakPolarHBondContact O-CB 3.05Å; A807-F810 PolarHBondContact O-N 3.25Å; S808-F810 VanDerWaalsContact C-N 3.33Å; S808-F810 PolarHBondContact O-N 3.35Å; F810-S812 PolarHBondContact O-N 2.99Å; F810-V813 WeakPolarHBondContact O-CB 3.33Å; F810-V813 PolarHBondContact O-N 2.96Å; F810-V813 VanDerWaalsContact O-N 3.1Å; F810-L814 HydrophobicContact CD1-CD1 4.1Å; F810-L814 HydrophobicContact CE1-CD1 3.42Å; F810-L814 VanDerWaalsContact CE1-CD1 3.42Å; F810-L814 HydrophobicContact CE1-CG 4.07Å; F810-L814 HydrophobicContact CE2-CD1 4.32Å; F810-L814 HydrophobicContact CE2-CD2 4.22Å; F810-L814 HydrophobicContact CE2-CG 4.16Å; F810-L814 HydrophobicContact CZ-CD1 3.55Å; F810-L814 HydrophobicContact CZ-CD2 4.06Å; F810-L814 HydrophobicContact CZ-CG 3.88Å; F810-L814 PolarHBondContact O-N 3.08Å
811L93.5Very high86.5Confident7 Ų741.2 Ų41.24%0.03720%0.204CC..Hα-helixtrans-62.8-45178.9-67.2173.1000111.7V789 A792 I796 A807 S808 V813 L814 L815 I834 I857V789-L811 HydrophobicContact CG1-CD2 4.34Å; A792-L811 HydrophobicContact CB-CD1 4.37Å; A792-L811 HydrophobicContact CB-CD2 4.01Å; A792-L811 HydrophobicContact CB-CG 4.01Å; I796-L811 HydrophobicContact CD1-CD1 3.58Å; A807-L811 WeakPolarHBondContact O-CG 3.32Å; A807-L811 PolarHBondContact O-N 3.36Å; S808-L811 PolarHBondContact O-N 3.47Å; L811-V813 PolarHBondContact O-N 3.25Å; L811-L814 HydrophobicContact CD2-CD1 4.4Å; L811-L814 WeakPolarHBondContact O-CB 3.39Å; L811-L814 PolarHBondContact O-N 3.49Å; L811-L814 VanDerWaalsContact O-N 3.15Å; L811-L815 WeakPolarHBondContact O-CG 3.4Å; L811-L815 PolarHBondContact O-N 3.48Å; L811-I834 HydrophobicContact CD1-CG2 3.82Å; L811-I834 HydrophobicContact CD2-CD1 4.17Å; L811-I857 HydrophobicContact CB-CG1 4.28Å; L811-I857 HydrophobicContact CB-CG2 4.08Å; L811-I857 HydrophobicContact CD1-CD1 4.05Å; L811-I857 HydrophobicContact CD1-CG2 4.29Å
812S90.5Very high86.5Confident8 Ų839.9 Ų39.96%0.05620%0.199CC..Hα-helixtrans-62.1-30.5174.5-60.70000112.8S808 F810 K816 D856S808-S812 WeakPolarHBondContact O-CB 3.21Å; S808-S812 PolarHBondContact O-N 3.46Å; S808-S812 PolarHBondContact O-OG 3.39Å; F810-S812 PolarHBondContact O-N 2.99Å; S812-K816 WeakPolarHBondContact O-CB 3.34Å; S812-K816 WeakPolarHBondContact O-CD 3.45Å; S812-K816 WeakPolarHBondContact O-CG 3.48Å; S812-K816 PolarHBondContact O-N 3.46Å; S812-D856 VanDerWaalsContact OG-C 3.25Å; S812-D856 PolarHBondContact OG-O 3.48Å
813V89.4Confident86.7Confident10 Ų1039 Ų396%0.06119%0.189CC..Hα-helixtrans-70.6-44.6173.5162.30000110.9C764 Q765 R809 F810 L811 L815 K816 V817C764-V813 HydrophobicContact CB-CG1 3.65Å; Q765-V813 HydrophobicContact CG-CB 4.3Å; Q765-V813 HydrophobicContact CG-CG1 3.55Å; Q765-V813 HydrophobicContact CG-CG2 3.67Å; R809-V813 HydrophobicContact CG-CG2 4.45Å; R809-V813 WeakPolarHBondContact O-CB 3.41Å; R809-V813 WeakPolarHBondContact O-CG2 3.37Å; R809-V813 PolarHBondContact O-N 3.42Å; F810-V813 WeakPolarHBondContact O-CB 3.33Å; F810-V813 PolarHBondContact O-N 2.96Å; F810-V813 VanDerWaalsContact O-N 3.1Å; L811-V813 PolarHBondContact O-N 3.25Å; V813-L815 VanDerWaalsContact C-N 3.33Å; V813-L815 PolarHBondContact O-N 2.91Å; V813-K816 PolarHBondContact O-N 3.5Å; V813-V817 HydrophobicContact CG1-CG2 3.93Å; V813-V817 WeakPolarHBondContact O-CB 3.37Å; V813-V817 VanDerWaalsContact O-CG2 3.26Å; V813-V817 WeakPolarHBondContact O-CG2 3.28Å; V813-V817 PolarHBondContact O-N 2.93Å
814L88.9Confident86.7Confident5 Ų539.4 Ų39.43%0.02619%0.193CC..Hα-helixtrans-55.6-50.4176.3-73.4-178.8000110.8L785 V789 F810 L811 K816 V817 F818 L823L785-L814 HydrophobicContact CD1-CD2 4.08Å; V789-L814 HydrophobicContact CG2-CD1 3.64Å; F810-L814 HydrophobicContact CD1-CD1 4.1Å; F810-L814 HydrophobicContact CE1-CD1 3.42Å; F810-L814 VanDerWaalsContact CE1-CD1 3.42Å; F810-L814 HydrophobicContact CE1-CG 4.07Å; F810-L814 HydrophobicContact CE2-CD1 4.32Å; F810-L814 HydrophobicContact CE2-CD2 4.22Å; F810-L814 HydrophobicContact CE2-CG 4.16Å; F810-L814 HydrophobicContact CZ-CD1 3.55Å; F810-L814 HydrophobicContact CZ-CD2 4.06Å; F810-L814 HydrophobicContact CZ-CG 3.88Å; F810-L814 PolarHBondContact O-N 3.08Å; L811-L814 HydrophobicContact CD2-CD1 4.4Å; L811-L814 WeakPolarHBondContact O-CB 3.39Å; L811-L814 PolarHBondContact O-N 3.49Å; L811-L814 VanDerWaalsContact O-N 3.15Å; L814-K816 PolarHBondContact O-N 3.13Å; L814-V817 PolarHBondContact O-N 3.02Å; L814-F818 HydrophobicContact CD2-CD2 3.81Å; L814-F818 HydrophobicContact CD2-CE2 3.5Å; L814-F818 HydrophobicContact CD2-CZ 4.33Å; L814-F818 WeakPolarHBondContact O-CD2 3.05Å; L814-F818 PolarHBondContact O-N 3Å; L814-F818 VanDerWaalsContact O-N 3.16Å; L814-L823 HydrophobicContact CB-CD2 4.5Å
815L88.2Confident86.7Confident10 Ų1043.5 Ų43.55%0.05222%0.219CC..Hα-helixtrans-61.4-25.6-179.3-65.5172.9000114L811 V813 L827 I857 P860 L861 Y865L811-L815 WeakPolarHBondContact O-CG 3.4Å; L811-L815 PolarHBondContact O-N 3.48Å; V813-L815 VanDerWaalsContact C-N 3.33Å; V813-L815 PolarHBondContact O-N 2.91Å; L815-L827 HydrophobicContact CD2-CD1 4.07Å; L815-L827 HydrophobicContact CD2-CD2 4.1Å; L815-I857 HydrophobicContact CD1-CG2 4.33Å; L815-P860 HydrophobicContact CD1-CB 4.24Å; L815-P860 HydrophobicContact CD1-CG 3.81Å; L815-L861 HydrophobicContact CD1-CD2 4.13Å; L815-L861 HydrophobicContact CD1-CG 3.93Å; L815-L861 HydrophobicContact CD2-CD2 3.9Å; L815-Y865 HydrophobicContact CB-CE2 4.4Å; L815-Y865 HydrophobicContact CD2-CD2 3.97Å; L815-Y865 HydrophobicContact CD2-CE2 3.93Å; L815-Y865 PolarHBondContact O-OH 3.19Å
816K84.8Confident86.7Confident138 Ų13838.5 Ų38.560%0.620%0.202SC*.Hα-helixtrans-94.8-27.8-179-72.9174-174.21740114S812 V813 L814S812-K816 WeakPolarHBondContact O-CB 3.34Å; S812-K816 WeakPolarHBondContact O-CD 3.45Å; S812-K816 WeakPolarHBondContact O-CG 3.48Å; S812-K816 PolarHBondContact O-N 3.46Å; V813-K816 PolarHBondContact O-N 3.5Å; L814-K816 PolarHBondContact O-N 3.13Å
817V83Confident86.6Confident7 Ų738 Ų384%0.04220%0.199CC..Hα-helixtrans-92.5-41.4-171.5170.20000111.6C764 N776 V813 L814C764-V817 WeakPolarHBondContact O-CG1 3.35Å; N776-V817 HydrophobicContact CB-CG1 4.03Å; V813-V817 HydrophobicContact CG1-CG2 3.93Å; V813-V817 WeakPolarHBondContact O-CB 3.37Å; V813-V817 VanDerWaalsContact O-CG2 3.26Å; V813-V817 WeakPolarHBondContact O-CG2 3.28Å; V813-V817 PolarHBondContact O-N 2.93Å; L814-V817 PolarHBondContact O-N 3.02Å
818F84Confident86.3Confident6 Ų642.6 Ų42.63%0.02623%0.227CC..SBendtrans-93.8147.3-172.2-66-96.1000110.6C764 N776 L778 A779 L785 L814 V822 L823C764-F818 HydrophobicContact CB-CE2 4.2Å; N776-F818 HydrophobicContact CB-CE1 3.88Å; N776-F818 HydrophobicContact CB-CZ 3.96Å; L778-F818 HydrophobicContact CB-CE1 4.09Å; L778-F818 HydrophobicContact CB-CZ 4.13Å; A779-F818 HydrophobicContact CB-CD1 3.58Å; A779-F818 HydrophobicContact CB-CE1 3.66Å; L785-F818 HydrophobicContact CD1-CD1 4.4Å; L785-F818 HydrophobicContact CD1-CE1 3.95Å; L785-F818 HydrophobicContact CD1-CE2 4.42Å; L785-F818 HydrophobicContact CD1-CZ 3.97Å; L814-F818 HydrophobicContact CD2-CD2 3.81Å; L814-F818 HydrophobicContact CD2-CE2 3.5Å; L814-F818 HydrophobicContact CD2-CZ 4.33Å; L814-F818 WeakPolarHBondContact O-CD2 3.05Å; L814-F818 PolarHBondContact O-N 3Å; L814-F818 VanDerWaalsContact O-N 3.16Å; F818-V822 HydrophobicContact CB-CB 4.35Å; F818-V822 HydrophobicContact CB-CG1 4.47Å; F818-V822 HydrophobicContact CD1-CB 4.27Å; F818-V822 HydrophobicContact CD1-CG1 3.85Å; F818-V822 HydrophobicContact CG-CG1 4.45Å; F818-L823 HydrophobicContact CB-CD1 4.23Å; F818-L823 HydrophobicContact CB-CD2 4.04Å; F818-L823 HydrophobicContact CB-CG 3.81Å; F818-L823 WeakPolarHBondContact O-CD1 3.49Å
819G79.2Confident86.1Confident32 Ų3248.1 Ų48.133%0.3325%0.253SS..  trans-82.4171.2174.800000112.8D821 V822 L823G819-D821 PolarHBondContact O-N 3.26Å; G819-V822 PolarHBondContact O-N 2.95Å; G819-V822 VanDerWaalsContact O-N 3.1Å; G819-L823 PolarHBondContact O-N 3.34Å
820E78.9Confident86Confident123 Ų12343 Ų4358%0.57523%0.234SC*.Hα-helixtrans-56-30.5179.1-75.5-172.5168.900113.5V822 L823 G824 Y865E820-V822 PolarHBondContact O-N 3.49Å; E820-L823 PolarHBondContact O-N 3.12Å; E820-G824 WeakPolarHBondContact O-CA 3.26Å; E820-G824 PolarHBondContact O-N 3.39Å; E820-Y865 HydrophobicContact CG-CE1 4.12Å
821D78.1Confident85.6Confident155 Ų15543 Ų4383%0.82923%0.234SC*.Hα-helixtrans-60.3-33.9178.6-61-35.4000112.8G819G819-D821 PolarHBondContact O-N 3.26Å
822V81.4Confident85.3Confident39 Ų3945.7 Ų45.724%0.23625%0.247CC..Hα-helixtrans-94.8-40.2178.4-179.70000110.8A779 L785 F818 G819 E820 L826A779-V822 HydrophobicContact CB-CG2 3.97Å; L785-V822 HydrophobicContact CD1-CG1 4.4Å; F818-V822 HydrophobicContact CB-CB 4.35Å; F818-V822 HydrophobicContact CB-CG1 4.47Å; F818-V822 HydrophobicContact CD1-CB 4.27Å; F818-V822 HydrophobicContact CD1-CG1 3.85Å; F818-V822 HydrophobicContact CG-CG1 4.45Å; G819-V822 PolarHBondContact O-N 2.95Å; G819-V822 VanDerWaalsContact O-N 3.1Å; E820-V822 PolarHBondContact O-N 3.49Å; V822-L826 HydrophobicContact CG1-CD1 4.14Å; V822-L826 WeakPolarHBondContact O-CD1 3.37Å; V822-L826 WeakPolarHBondContact O-CG 3.29Å
823L84.4Confident85.1Confident4 Ų447.5 Ų47.52%0.02126%0.262CS..Hα-helixtrans-73.7-33.3-177.5-70.8176.9000113L814 F818 G819 E820 L826 L827 Y865L814-L823 HydrophobicContact CB-CD2 4.5Å; F818-L823 HydrophobicContact CB-CD1 4.23Å; F818-L823 HydrophobicContact CB-CD2 4.04Å; F818-L823 HydrophobicContact CB-CG 3.81Å; F818-L823 WeakPolarHBondContact O-CD1 3.49Å; G819-L823 PolarHBondContact O-N 3.34Å; E820-L823 PolarHBondContact O-N 3.12Å; L823-L826 PolarHBondContact O-N 3.46Å; L823-L827 HydrophobicContact CB-CD1 4.17Å; L823-L827 HydrophobicContact CB-CG 4.47Å; L823-L827 VanDerWaalsContact O-CB 3.3Å; L823-L827 WeakPolarHBondContact O-CB 3.36Å; L823-L827 VanDerWaalsContact O-CG 3.23Å; L823-L827 WeakPolarHBondContact O-CG 3.38Å; L823-L827 PolarHBondContact O-N 3.35Å; L823-Y865 HydrophobicContact CB-CE1 4.39Å; L823-Y865 HydrophobicContact CD1-CE1 3.96Å; L823-Y865 HydrophobicContact CD1-CE2 4.43Å; L823-Y865 VanDerWaalsContact CD1-OH 3.23Å; L823-Y865 WeakPolarHBondContact CD1-OH 3.47Å
824G84.5Confident85.1Confident8 Ų847.3 Ų47.38%0.08226%0.261CS..Hα-helixtrans-55.8-54.8-176.200000113.1E820 L826 L827 T828E820-G824 WeakPolarHBondContact O-CA 3.26Å; E820-G824 PolarHBondContact O-N 3.39Å; G824-L826 PolarHBondContact O-N 2.99Å; G824-L827 PolarHBondContact O-N 3.46Å; G824-T828 WeakPolarHBondContact O-CB 3.36Å; G824-T828 PolarHBondContact O-N 2.89Å; G824-T828 PolarHBondContact O-OG1 3.39Å
825P85.7Confident85Confident86 Ų8647 Ų4756%0.55826%0.259SS*.Hα-helixtrans-60-44.2175.3-24.234.2000112.7L827 T828 E829P825-L827 PolarHBondContact O-N 2.89Å; P825-T828 PolarHBondContact O-N 3.19Å; P825-E829 PolarHBondContact O-N 3.07Å
826L86.7Confident85Confident17 Ų1748.3 Ų48.39%0.08927%0.268CS..Hα-helixtrans-63.1-41.3-179.8-71.2169.3000112.5L785 V822 L823 G824 E829 H830L785-L826 HydrophobicContact CB-CD1 3.85Å; L785-L826 HydrophobicContact CB-CD2 4.07Å; L785-L826 HydrophobicContact CD1-CD1 4.11Å; V822-L826 HydrophobicContact CG1-CD1 4.14Å; V822-L826 WeakPolarHBondContact O-CD1 3.37Å; V822-L826 WeakPolarHBondContact O-CG 3.29Å; L823-L826 PolarHBondContact O-N 3.46Å; G824-L826 PolarHBondContact O-N 2.99Å; L826-E829 PolarHBondContact O-N 3.08Å; L826-H830 WeakPolarHBondContact O-CB 3.43Å; L826-H830 PolarHBondContact O-N 3.31Å
827L87.9Confident85.1Confident11 Ų1144.5 Ų44.56%0.05825%0.252CS..Hα-helixtrans-77.1-30179.2-67-179.8000112.1L815 L823 G824 P825 E829 G831 L861 Y865 F868L815-L827 HydrophobicContact CD2-CD1 4.07Å; L815-L827 HydrophobicContact CD2-CD2 4.1Å; L823-L827 HydrophobicContact CB-CD1 4.17Å; L823-L827 HydrophobicContact CB-CG 4.47Å; L823-L827 VanDerWaalsContact O-CB 3.3Å; L823-L827 WeakPolarHBondContact O-CB 3.36Å; L823-L827 VanDerWaalsContact O-CG 3.23Å; L823-L827 WeakPolarHBondContact O-CG 3.38Å; L823-L827 PolarHBondContact O-N 3.35Å; G824-L827 PolarHBondContact O-N 3.46Å; P825-L827 PolarHBondContact O-N 2.89Å; L827-E829 VanDerWaalsContact C-N 3.31Å; L827-G831 WeakPolarHBondContact O-CA 3.16Å; L827-G831 PolarHBondContact O-N 2.96Å; L827-L861 HydrophobicContact CD1-CD2 4.35Å; L827-L861 HydrophobicContact CD2-CD2 3.59Å; L827-Y865 HydrophobicContact CD1-CD1 3.56Å; L827-Y865 HydrophobicContact CD1-CD2 4.15Å; L827-Y865 HydrophobicContact CD1-CE1 4.25Å; L827-Y865 HydrophobicContact CD1-CG 3.49Å; L827-Y865 VanDerWaalsContact CD1-CG 3.49Å; L827-F868 HydrophobicContact CB-CB 4Å; L827-F868 HydrophobicContact CB-CD2 4.44Å; L827-F868 HydrophobicContact CB-CG 4.14Å; L827-F868 HydrophobicContact CD1-CD2 4.45Å
828T86.1Confident85.3Confident97 Ų9744.1 Ų44.160%0.59525%0.25SC*.Hα-helixtrans-64.2-39.9170.9-560000110.9G824 P825 F868G824-T828 WeakPolarHBondContact O-CB 3.36Å; G824-T828 PolarHBondContact O-N 2.89Å; G824-T828 PolarHBondContact O-OG1 3.39Å; P825-T828 PolarHBondContact O-N 3.19Å; T828-F868 VanDerWaalsContact OG1-CD1 3.3Å; T828-F868 WeakPolarHBondContact OG1-CD1 3.09Å
829E87.2Confident85.5Confident118 Ų11844.4 Ų44.455%0.55125%0.251SS*.Hα-helixtrans-79.3-48.4-179.5-165.3-171162.900112.6S786 P825 L826 L827S786-E829 PolarHBondContact OG-OE1 3.34Å; S786-E829 PolarHBondContact OG-OE2 3.17Å; P825-E829 PolarHBondContact O-N 3.07Å; L826-E829 PolarHBondContact O-N 3.08Å; L827-E829 VanDerWaalsContact C-N 3.31Å
830H88.5Confident85.8Confident21 Ų2148.2 Ų48.210%0.09726%0.26CS..Hα-helixtrans-114.4-14.2-169.5-58.3-67.9000114.8S786 V789 L826 H832 A833 I834S786-H830 PolarHBondContact OG-NE2 2.83Å; V789-H830 HydrophobicContact CG1-CB 3.72Å; L826-H830 WeakPolarHBondContact O-CB 3.43Å; L826-H830 PolarHBondContact O-N 3.31Å; H830-H832 VanDerWaalsContact C-N 3.31Å; H830-H832 PolarHBondContact O-N 3.05Å; H830-A833 PolarHBondContact O-N 2.89Å; H830-A833 VanDerWaalsContact O-N 3.1Å; H830-I834 HydrophobicContact CB-CD1 4.1Å; H830-I834 WeakPolarHBondContact O-CG1 3.44Å; H830-I834 PolarHBondContact O-N 3.27Å
831G86.7Confident86.1Confident0 Ų044.4 Ų44.40%024%0.24CC..Hα-helixtrans-59.4-40.8-171.300000113L827 A835 L869L827-G831 WeakPolarHBondContact O-CA 3.16Å; L827-G831 PolarHBondContact O-N 2.96Å; G831-A835 WeakPolarHBondContact O-CB 3.16Å; G831-A835 PolarHBondContact O-N 3.49Å; G831-L869 VanDerWaalsContact C-CD2 3.5Å; G831-L869 WeakPolarHBondContact O-CD2 3.44Å
832H86.4Confident86.5Confident65 Ų6537 Ų3730%0.30120%0.201SC..Hα-helixtrans-60.8-49.1174.4175.269.5000112H830 I834 A835 V836 F872 D875H830-H832 VanDerWaalsContact C-N 3.31Å; H830-H832 PolarHBondContact O-N 3.05Å; H832-I834 PolarHBondContact O-N 3.39Å; H832-A835 PolarHBondContact O-N 2.73Å; H832-V836 VanDerWaalsContact O-CG2 3.32Å; H832-V836 WeakPolarHBondContact O-CG2 3.47Å; H832-V836 PolarHBondContact O-N 2.96Å; H832-F872 WeakPolarHBondContact ND1-CA 3.35Å; H832-F872 PolarHBondContact ND1-N 2.78Å; H832-D875 IonicContact CE1-OD2 3.8Å; H832-D875 PolarHBondContact CE1-OD2 3.48Å; H832-D875 VanDerWaalsContact CE1-OD2 3.29Å; H832-D875 IonicContact NE2-OD2 3.86Å
833A86.6Confident86.6Confident45 Ų4540.1 Ų40.137%0.37221%0.208SC..Hα-helixtrans-62.2-42.1-179.100000112.3H830 V836 Q837H830-A833 PolarHBondContact O-N 2.89Å; H830-A833 VanDerWaalsContact O-N 3.1Å; A833-V836 PolarHBondContact O-N 3.09Å; A833-Q837 WeakPolarHBondContact O-CB 3.45Å; A833-Q837 WeakPolarHBondContact O-CG 3.39Å; A833-Q837 PolarHBondContact O-N 2.95Å
834I89Confident86.6Confident6 Ų646 Ų463%0.03123%0.234CC..Hα-helixtrans-62.8-47176.7-63.5162.9000110.6V789 A793 L811 H830 H832 V836 Q837 C838 I857 L861V789-I834 HydrophobicContact CG1-CD1 3.45Å; V789-I834 VanDerWaalsContact CG1-CD1 3.45Å; V789-I834 HydrophobicContact CG1-CG1 4.3Å; A793-I834 HydrophobicContact CB-CG1 4.44Å; L811-I834 HydrophobicContact CD1-CG2 3.82Å; L811-I834 HydrophobicContact CD2-CD1 4.17Å; H830-I834 HydrophobicContact CB-CD1 4.1Å; H830-I834 WeakPolarHBondContact O-CG1 3.44Å; H830-I834 PolarHBondContact O-N 3.27Å; H832-I834 PolarHBondContact O-N 3.39Å; I834-V836 VanDerWaalsContact C-N 3.35Å; I834-V836 PolarHBondContact O-N 3.33Å; I834-Q837 PolarHBondContact O-N 3.27Å; I834-C838 WeakPolarHBondContact O-CB 3.45Å; I834-C838 PolarHBondContact O-N 3.25Å; I834-C838 PolarHBondContact O-SG 3.44Å; I834-I857 HydrophobicContact CG2-CG2 4.06Å; I834-L861 HydrophobicContact CG2-CD1 4.07Å
835A87.8Confident86.5Confident0 Ų045.7 Ų45.70%023%0.23CC..Hα-helixtrans-62.7-43.2-179.100000111.3G831 H832 F839 L858 L869 F872G831-A835 WeakPolarHBondContact O-CB 3.16Å; G831-A835 PolarHBondContact O-N 3.49Å; H832-A835 PolarHBondContact O-N 2.73Å; A835-F839 WeakPolarHBondContact O-CB 3.42Å; A835-F839 PolarHBondContact O-N 2.82Å; A835-L858 HydrophobicContact CB-CD2 4.34Å; A835-L869 HydrophobicContact CB-CD2 4.22Å; A835-F872 HydrophobicContact CB-CB 4.38Å; A835-F872 HydrophobicContact CB-CD1 4.06Å; A835-F872 HydrophobicContact CB-CD2 3.52Å; A835-F872 HydrophobicContact CB-CE1 4.19Å; A835-F872 HydrophobicContact CB-CE2 3.67Å; A835-F872 HydrophobicContact CB-CG 3.72Å; A835-F872 HydrophobicContact CB-CZ 3.99Å; A835-F872 WeakPolarHBondContact O-CE2 3.42Å
836V87.3Confident86Confident37 Ų3744.9 Ų44.922%0.22423%0.225CC..Hα-helixtrans-60.2-50.8174.5171.70000110.9H832 A833 I834 C838 F839 E840 F872H832-V836 VanDerWaalsContact O-CG2 3.32Å; H832-V836 WeakPolarHBondContact O-CG2 3.47Å; H832-V836 PolarHBondContact O-N 2.96Å; A833-V836 PolarHBondContact O-N 3.09Å; I834-V836 VanDerWaalsContact C-N 3.35Å; I834-V836 PolarHBondContact O-N 3.33Å; V836-C838 PolarHBondContact O-N 3.45Å; V836-F839 PolarHBondContact O-N 2.87Å; V836-F839 VanDerWaalsContact O-N 3.15Å; V836-E840 HydrophobicContact CG1-CG 4.17Å; V836-E840 WeakPolarHBondContact O-CB 3.49Å; V836-E840 WeakPolarHBondContact O-CG 3.5Å; V836-E840 PolarHBondContact O-N 3.34Å; V836-F872 HydrophobicContact CG2-CD2 3.97Å
837Q87.3Confident85.4Confident57 Ų5746.6 Ų46.627%0.26623%0.234SC..Hα-helixtrans-61.5-43.5-179.8-75.5177.1-8.500112.8A793 I796 A833 I834 F839 R841A793-Q837 VanDerWaalsContact C-OE1 3.26Å; A793-Q837 VanDerWaalsContact CA-OE1 3.28Å; A793-Q837 VanDerWaalsContact CB-OE1 3.22Å; A793-Q837 PolarHBondContact O-OE1 2.69Å; I796-Q837 HydrophobicContact CG2-CB 4.48Å; A833-Q837 WeakPolarHBondContact O-CB 3.45Å; A833-Q837 WeakPolarHBondContact O-CG 3.39Å; A833-Q837 PolarHBondContact O-N 2.95Å; I834-Q837 PolarHBondContact O-N 3.27Å; Q837-F839 VanDerWaalsContact C-N 3.28Å; Q837-F839 PolarHBondContact O-N 2.84Å; Q837-R841 VanDerWaalsContact O-CB 3.28Å; Q837-R841 WeakPolarHBondContact O-CB 3.34Å; Q837-R841 PolarHBondContact O-N 3.41Å
838C88.7Confident84.9Confident0 Ų048.8 Ų48.80%025%0.253CS..Hα-helixtrans-61.3-41.4176.2-67.10000111I834 V836 L842 L854 I857 L858I834-C838 WeakPolarHBondContact O-CB 3.45Å; I834-C838 PolarHBondContact O-N 3.25Å; I834-C838 PolarHBondContact O-SG 3.44Å; V836-C838 PolarHBondContact O-N 3.45Å; C838-L842 WeakPolarHBondContact O-CB 3.38Å; C838-L842 PolarHBondContact O-N 3Å; C838-L854 HydrophobicContact CB-CD2 4.33Å; C838-I857 VanDerWaalsContact SG-CD1 3.58Å; C838-L858 HydrophobicContact CB-CD1 4.03Å; C838-L858 HydrophobicContact CB-CD2 3.81Å; C838-L858 HydrophobicContact CB-CG 3.77Å
839F86.7Confident84.5Confident12 Ų1248.8 Ų48.85%0.05324%0.243CC..Hα-helixtrans-72.4-42.1-178.9-170.1-92.1000112.6A835 V836 Q837 L842 R843 F872 L876 P877 V882 M885 F886 F902A835-F839 WeakPolarHBondContact O-CB 3.42Å; A835-F839 PolarHBondContact O-N 2.82Å; V836-F839 PolarHBondContact O-N 2.87Å; V836-F839 VanDerWaalsContact O-N 3.15Å; Q837-F839 VanDerWaalsContact C-N 3.28Å; Q837-F839 PolarHBondContact O-N 2.84Å; F839-L842 WeakPolarHBondContact O-CB 3.32Å; F839-L842 PolarHBondContact O-N 3.16Å; F839-R843 WeakPolarHBondContact O-CG 3.23Å; F839-R843 PolarHBondContact O-N 2.78Å; F839-F872 HydrophobicContact CB-CE2 4.06Å; F839-F872 HydrophobicContact CB-CZ 4.31Å; F839-F872 HydrophobicContact CD2-CZ 4.4Å; F839-F872 HydrophobicContact CG-CE2 4.43Å; F839-F872 HydrophobicContact CG-CZ 4.47Å; F839-L876 HydrophobicContact CD2-CD2 4.09Å; F839-L876 HydrophobicContact CE1-CD2 4.29Å; F839-L876 HydrophobicContact CE2-CD2 3.84Å; F839-L876 HydrophobicContact CG-CD2 4.41Å; F839-L876 HydrophobicContact CZ-CD2 3.95Å; F839-P877 HydrophobicContact CE1-CG 3.63Å; F839-P877 HydrophobicContact CZ-CG 3.78Å; F839-V882 HydrophobicContact CE2-CG1 4.25Å; F839-V882 HydrophobicContact CE2-CG2 4.09Å; F839-V882 HydrophobicContact CZ-CG1 4.16Å; F839-V882 HydrophobicContact CZ-CG2 3.65Å; F839-M885 HydrophobicContact CD2-CE 4.26Å; F839-M885 HydrophobicContact CE2-CE 3.94Å; F839-F886 HydrophobicContact CE2-CE2 4.36Å; F839-F902 HydrophobicContact CE1-CE1 4.2Å; F839-F902 AromaticContact CE1-CZ 3.99Å; F839-F902 HydrophobicContact CE1-CZ 3.99Å; F839-F902 AromaticContact CE2-CE1 3.91Å; F839-F902 HydrophobicContact CE2-CE1 3.91Å; F839-F902 HydrophobicContact CE2-CZ 4.23Å; F839-F902 AromaticContact CZ-CE1 3.65Å; F839-F902 HydrophobicContact CZ-CE1 3.65Å; F839-F902 HydrophobicContact CZ-CE2 4.45Å; F839-F902 AromaticContact CZ-CZ 3.53Å; F839-F902 HydrophobicContact CZ-CZ 3.53Å
840E85.7Confident84.1Confident112 Ų11243.1 Ų43.152%0.52322%0.217SC..Hα-helixtrans-62.8-42.1174.3-74.7-173.3160.600111.8V836 R843V836-E840 HydrophobicContact CG1-CG 4.17Å; V836-E840 WeakPolarHBondContact O-CB 3.49Å; V836-E840 WeakPolarHBondContact O-CG 3.5Å; V836-E840 PolarHBondContact O-N 3.34Å; E840-R843 WeakPolarHBondContact O-CB 3.32Å; E840-R843 PolarHBondContact O-N 3.34Å
841R85.2Confident83.9Confident42 Ų4242.1 Ų42.116%0.15821%0.212CC..Hα-helixtrans-64.3-43.6174.3-172.571.1-171.1-171.63111.1F798 N799 Q837 R843 K844 E845 L854F798-R841 PolarHBondContact O-NH1 3.43Å; N799-R841 PolarHBondContact OD1-NH1 3.41Å; Q837-R841 VanDerWaalsContact O-CB 3.28Å; Q837-R841 WeakPolarHBondContact O-CB 3.34Å; Q837-R841 PolarHBondContact O-N 3.41Å; R841-R843 PolarHBondContact O-N 2.97Å; R841-R843 VanDerWaalsContact O-N 3.11Å; R841-K844 PolarHBondContact O-N 3.34Å; R841-E845 IonicContact CZ-OE2 3.32Å; R841-E845 IonicContact NE-OE2 2.85Å; R841-E845 PolarHBondContact NE-OE2 2.93Å; R841-E845 IonicContact NH2-OE2 3.77Å; R841-E845 PolarHBondContact NH2-OE2 2.94Å; R841-E845 WeakPolarHBondContact O-CB 3.5Å; R841-E845 PolarHBondContact O-N 3.43Å; R841-L854 HydrophobicContact CB-CD1 3.99Å; R841-L854 HydrophobicContact CG-CD1 3.8Å
842L86.5Confident83.8Confident0 Ų046 Ų460%023%0.23CC..Hα-helixtrans-55.3-29.1176.6177.765.9000112.6C838 F839 K844 V851 L854 L858 M885 A899 F902 N903C838-L842 WeakPolarHBondContact O-CB 3.38Å; C838-L842 PolarHBondContact O-N 3Å; F839-L842 WeakPolarHBondContact O-CB 3.32Å; F839-L842 PolarHBondContact O-N 3.16Å; L842-K844 VanDerWaalsContact C-N 3.35Å; L842-V851 HydrophobicContact CD1-CB 4.1Å; L842-V851 HydrophobicContact CD1-CG1 3.49Å; L842-V851 VanDerWaalsContact CD1-CG1 3.49Å; L842-V851 HydrophobicContact CD1-CG2 3.93Å; L842-L854 HydrophobicContact CB-CD1 4.29Å; L842-L858 HydrophobicContact CD2-CD1 4.28Å; L842-M885 HydrophobicContact CD2-SD 4.15Å; L842-A899 HydrophobicContact CD1-CB 4.29Å; L842-A899 HydrophobicContact CD2-CB 4.14Å; L842-F902 HydrophobicContact CD2-CD1 3.98Å; L842-F902 HydrophobicContact CD2-CE1 4.34Å; L842-F902 HydrophobicContact CG-CD1 4.12Å; L842-F902 HydrophobicContact CG-CE1 4.42Å; L842-N903 HydrophobicContact CD1-CB 4.22Å; L842-N903 WeakPolarHBondContact O-CB 3.47Å; L842-N903 PolarHBondContact O-ND2 2.96Å
843R84.8Confident83.7Confident105 Ų10546.4 Ų46.440%0.39623%0.23SC..Hα-helixtrans-69-31.8176.9-68.617567.1-179.2-0.7113.5F839 E840 R841 F902 C906F839-R843 WeakPolarHBondContact O-CG 3.23Å; F839-R843 PolarHBondContact O-N 2.78Å; E840-R843 WeakPolarHBondContact O-CB 3.32Å; E840-R843 PolarHBondContact O-N 3.34Å; R841-R843 PolarHBondContact O-N 2.97Å; R841-R843 VanDerWaalsContact O-N 3.11Å; R843-F902 HydrophobicContact CG-CE1 3.61Å; R843-F902 HydrophobicContact CG-CZ 3.59Å; R843-C906 HydrophobicContact CB-CB 4.18Å; R843-C906 WeakPolarHBondContact O-CB 3.35Å
844K83.7Confident83.8Confident128 Ų12844.3 Ų44.356%0.55721%0.212SC*.Hα-helixtrans-110.4-15.6-170-57.7-176.5-180177.70113.6R841 L842 P846 E910R841-K844 PolarHBondContact O-N 3.34Å; L842-K844 VanDerWaalsContact C-N 3.35Å; K844-P846 VanDerWaalsContact O-CD 3.3Å; K844-P846 WeakPolarHBondContact O-CD 3.35Å; K844-E910 WeakPolarHBondContact CE-OE1 3.41Å
845E83Confident83.9Confident1 Ų144 Ų441%0.00521%0.211CC..  trans-62.4118.3-169.3-178.650.8-120.100112.6R841 L847 C850 V851 N903 R907R841-E845 IonicContact CZ-OE2 3.32Å; R841-E845 IonicContact NE-OE2 2.85Å; R841-E845 PolarHBondContact NE-OE2 2.93Å; R841-E845 IonicContact NH2-OE2 3.77Å; R841-E845 PolarHBondContact NH2-OE2 2.94Å; R841-E845 WeakPolarHBondContact O-CB 3.5Å; R841-E845 PolarHBondContact O-N 3.43Å; E845-L847 VanDerWaalsContact C-N 3.31Å; E845-L847 PolarHBondContact O-N 2.57Å; E845-L847 WeakPolarHBondContact OE1-CB 3.38Å; E845-L847 PolarHBondContact OE1-N 3.13Å; E845-C850 HydrophobicContact CG-CB 3.35Å; E845-V851 HydrophobicContact CB-CG2 4.4Å; E845-V851 HydrophobicContact CG-CG2 4.26Å; E845-N903 PolarHBondContact O-ND2 2.75Å; E845-N903 PolarHBondContact O-OD1 3.24Å; E845-R907 WeakPolarHBondContact O-CD 3.37Å
846P74.7Confident83.9Confident68 Ų6846.1 Ų46.144%0.44222%0.222SC..  trans-73.9-19.9-176.625.5-34.2000114.9K844 R907K844-P846 VanDerWaalsContact O-CD 3.3Å; K844-P846 WeakPolarHBondContact O-CD 3.35Å; P846-R907 VanDerWaalsContact CA-CZ 3.41Å; P846-R907 VanDerWaalsContact CA-NH1 3.26Å; P846-R907 PolarHBondContact O-NH1 3.18Å
847L73.5Confident84Confident53 Ų5344.4 Ų44.428%0.27721%0.212SC..  trans-108.7122.5-165.5-64.4155.9000111.9I801 E845 Y849 C850 V851I801-L847 HydrophobicContact CD1-CD1 3.3Å; I801-L847 HydrophobicContact CG1-CD1 3.6Å; E845-L847 VanDerWaalsContact C-N 3.31Å; E845-L847 PolarHBondContact O-N 2.57Å; E845-L847 WeakPolarHBondContact OE1-CB 3.38Å; E845-L847 PolarHBondContact OE1-N 3.13Å; L847-Y849 HydrophobicContact CB-CD1 4.25Å; L847-Y849 HydrophobicContact CB-CE1 3.79Å; L847-Y849 HydrophobicContact CB-CE2 4.1Å; L847-Y849 HydrophobicContact CD1-CE1 4.46Å; L847-Y849 HydrophobicContact CD1-CE2 4.35Å; L847-Y849 VanDerWaalsContact CD1-OH 3.27Å; L847-Y849 WeakPolarHBondContact CD1-OH 3.24Å; L847-Y849 HydrophobicContact CD2-CE1 3.78Å; L847-Y849 HydrophobicContact CG-CE1 4.2Å; L847-Y849 PolarHBondContact O-N 3.16Å; L847-Y849 VanDerWaalsContact O-N 3.14Å; L847-C850 HydrophobicContact CB-CB 4.28Å; L847-C850 WeakPolarHBondContact O-CB 3.33Å; L847-C850 PolarHBondContact O-N 2.95Å; L847-V851 PolarHBondContact O-N 3.12Å
848A77.8Confident84.1Confident57 Ų5741.7 Ų41.747%0.47120%0.199SC..Hα-helixtrans-60-29-17500000114.1V851 E852A848-V851 WeakPolarHBondContact O-CB 3.35Å; A848-E852 PolarHBondContact O-N 3.39Å
849Y76.8Confident84Confident97 Ų9742.4 Ų42.438%0.3820%0.202SC..Hα-helixtrans-78.3-30.8177.357.3-99.9000112.6I801 L847 V851 E852 Y853I801-Y849 HydrophobicContact CG2-CE2 3.5Å; L847-Y849 HydrophobicContact CB-CD1 4.25Å; L847-Y849 HydrophobicContact CB-CE1 3.79Å; L847-Y849 HydrophobicContact CB-CE2 4.1Å; L847-Y849 HydrophobicContact CD1-CE1 4.46Å; L847-Y849 HydrophobicContact CD1-CE2 4.35Å; L847-Y849 VanDerWaalsContact CD1-OH 3.27Å; L847-Y849 WeakPolarHBondContact CD1-OH 3.24Å; L847-Y849 HydrophobicContact CD2-CE1 3.78Å; L847-Y849 HydrophobicContact CG-CE1 4.2Å; L847-Y849 PolarHBondContact O-N 3.16Å; L847-Y849 VanDerWaalsContact O-N 3.14Å; Y849-V851 VanDerWaalsContact C-N 3.27Å; Y849-V851 PolarHBondContact O-N 3.22Å; Y849-E852 WeakPolarHBondContact O-CB 3.41Å; Y849-E852 PolarHBondContact O-N 3.06Å; Y849-E852 VanDerWaalsContact O-N 3.14Å; Y849-Y853 HydrophobicContact CD2-CE2 4.02Å; Y849-Y853 VanDerWaalsContact O-CD2 3.3Å; Y849-Y853 WeakPolarHBondContact O-CD2 3.45Å; Y849-Y853 PolarHBondContact O-N 2.83Å; Y849-Y853 VanDerWaalsContact O-N 3.13Å
850C79Confident84Confident0 Ų042.4 Ų42.40%020%0.203CC..Hα-helixtrans-64.3-38.3172.3-72.20000110.4E845 L847 E852 Y853 L854E845-C850 HydrophobicContact CG-CB 3.35Å; L847-C850 HydrophobicContact CB-CB 4.28Å; L847-C850 WeakPolarHBondContact O-CB 3.33Å; L847-C850 PolarHBondContact O-N 2.95Å; C850-E852 VanDerWaalsContact C-N 3.28Å; C850-E852 PolarHBondContact O-N 2.92Å; C850-Y853 PolarHBondContact O-N 3.33Å; C850-L854 WeakPolarHBondContact O-CG 3.46Å; C850-L854 PolarHBondContact O-N 3.45Å
851V84Confident84Confident0 Ų037.2 Ų37.20%018%0.179CC..Hα-helixtrans-56.1-42.6171.4172.60000111.4L842 E845 L847 A848 Y849 L854 C855 A899 K900 N903L842-V851 HydrophobicContact CD1-CB 4.1Å; L842-V851 HydrophobicContact CD1-CG1 3.49Å; L842-V851 VanDerWaalsContact CD1-CG1 3.49Å; L842-V851 HydrophobicContact CD1-CG2 3.93Å; E845-V851 HydrophobicContact CB-CG2 4.4Å; E845-V851 HydrophobicContact CG-CG2 4.26Å; L847-V851 PolarHBondContact O-N 3.12Å; A848-V851 WeakPolarHBondContact O-CB 3.35Å; Y849-V851 VanDerWaalsContact C-N 3.27Å; Y849-V851 PolarHBondContact O-N 3.22Å; V851-L854 PolarHBondContact O-N 3.46Å; V851-C855 WeakPolarHBondContact O-CB 3.21Å; V851-C855 PolarHBondContact O-N 3.24Å; V851-C855 PolarHBondContact O-SG 2.98Å; V851-A899 HydrophobicContact CG1-CB 4.22Å; V851-K900 HydrophobicContact CB-CG 4.44Å; V851-K900 HydrophobicContact CG1-CG 3.74Å; V851-N903 HydrophobicContact CG2-CB 4.13Å
852E85.9Confident84Confident82 Ų8235.3 Ų35.338%0.38317%0.172SC..Hα-helixtrans-63.1-42.7176.7-64.6-178.8-172.600112.2A848 Y849 C850 C855 D856 V896 K900A848-E852 PolarHBondContact O-N 3.39Å; Y849-E852 WeakPolarHBondContact O-CB 3.41Å; Y849-E852 PolarHBondContact O-N 3.06Å; Y849-E852 VanDerWaalsContact O-N 3.14Å; C850-E852 VanDerWaalsContact C-N 3.28Å; C850-E852 PolarHBondContact O-N 2.92Å; E852-C855 WeakPolarHBondContact O-CB 3.48Å; E852-C855 PolarHBondContact O-N 3.04Å; E852-D856 PolarHBondContact O-N 3.25Å; E852-V896 HydrophobicContact CG-CG1 3.89Å; E852-K900 WeakPolarHBondContact OE1-CE 3.29Å; E852-K900 IonicContact OE1-NZ 3.7Å; E852-K900 PolarHBondContact OE1-NZ 3.49Å
853Y84.7Confident83.9Confident73 Ų7341.5 Ų41.529%0.28620%0.196SC..Hα-helixtrans-64.7-40.7177.3-63.2-44.2000112.9R805 Y849 C850 C855 D856R805-Y853 HydrophobicContact CB-CD2 3.93Å; R805-Y853 HydrophobicContact CB-CE2 3.85Å; R805-Y853 WeakPolarHBondContact CD-OH 3.34Å; R805-Y853 HydrophobicContact CG-CD1 4.41Å; R805-Y853 HydrophobicContact CG-CD2 3.92Å; R805-Y853 HydrophobicContact CG-CE1 4.07Å; R805-Y853 HydrophobicContact CG-CE2 3.52Å; R805-Y853 HydrophobicContact CG-CG 4.36Å; Y849-Y853 HydrophobicContact CD2-CE2 4.02Å; Y849-Y853 VanDerWaalsContact O-CD2 3.3Å; Y849-Y853 WeakPolarHBondContact O-CD2 3.45Å; Y849-Y853 PolarHBondContact O-N 2.83Å; Y849-Y853 VanDerWaalsContact O-N 3.13Å; C850-Y853 PolarHBondContact O-N 3.33Å; Y853-C855 VanDerWaalsContact C-N 3.3Å; Y853-C855 PolarHBondContact O-N 3.29Å; Y853-D856 WeakPolarHBondContact O-CB 3.46Å; Y853-D856 PolarHBondContact O-N 2.85Å
854L88.6Confident83.8Confident0 Ų041.5 Ų41.50%020%0.2CC..Hα-helixtrans-64.7-38.1174.6-64.7173.7000111.2I796 I804 C838 R841 L842 C850 V851 D856 I857 L858I796-L854 HydrophobicContact CG2-CD2 4.16Å; I804-L854 HydrophobicContact CG2-CD2 4.41Å; C838-L854 HydrophobicContact CB-CD2 4.33Å; R841-L854 HydrophobicContact CB-CD1 3.99Å; R841-L854 HydrophobicContact CG-CD1 3.8Å; L842-L854 HydrophobicContact CB-CD1 4.29Å; C850-L854 WeakPolarHBondContact O-CG 3.46Å; C850-L854 PolarHBondContact O-N 3.45Å; V851-L854 PolarHBondContact O-N 3.46Å; L854-D856 VanDerWaalsContact C-N 3.3Å; L854-D856 PolarHBondContact O-N 3.34Å; L854-I857 PolarHBondContact O-N 3.08Å; L854-I857 VanDerWaalsContact O-N 3.14Å; L854-L858 PolarHBondContact O-N 3.17Å
855C89.2Confident83.7Confident0 Ų036.2 Ų36.20%018%0.177CC..Hα-helixtrans-66.2-30.2174.6-68.10000112.9V851 E852 Y853 I857 L858 F859 F895 V896 A899V851-C855 WeakPolarHBondContact O-CB 3.21Å; V851-C855 PolarHBondContact O-N 3.24Å; V851-C855 PolarHBondContact O-SG 2.98Å; E852-C855 WeakPolarHBondContact O-CB 3.48Å; E852-C855 PolarHBondContact O-N 3.04Å; Y853-C855 VanDerWaalsContact C-N 3.3Å; Y853-C855 PolarHBondContact O-N 3.29Å; C855-I857 PolarHBondContact O-N 3.24Å; C855-L858 PolarHBondContact O-N 3.01Å; C855-F859 WeakPolarHBondContact O-CB 3.36Å; C855-F859 PolarHBondContact O-N 2.91Å; C855-F895 HydrophobicContact CB-CD1 4.26Å; C855-F895 HydrophobicContact CB-CE1 4.17Å; C855-V896 HydrophobicContact CB-CG2 3.7Å; C855-A899 WeakPolarHBondContact SG-CB 3.34Å
856D87.9Confident83.6Confident45 Ų4538 Ų3824%0.24119%0.191CC..Hα-helixtrans-64.3-15.5173.7-81.3-8.6000113.3S812 E852 Y853 L854 P860 K892S812-D856 VanDerWaalsContact OG-C 3.25Å; S812-D856 PolarHBondContact OG-O 3.48Å; E852-D856 PolarHBondContact O-N 3.25Å; Y853-D856 WeakPolarHBondContact O-CB 3.46Å; Y853-D856 PolarHBondContact O-N 2.85Å; L854-D856 VanDerWaalsContact C-N 3.3Å; L854-D856 PolarHBondContact O-N 3.34Å; D856-P860 WeakPolarHBondContact O-CD 3.49Å; D856-P860 VanDerWaalsContact O-CG 3.23Å; D856-P860 WeakPolarHBondContact O-CG 3.28Å; D856-K892 WeakPolarHBondContact OD1-CE 3.36Å; D856-K892 IonicContact OD1-NZ 2.74Å; D856-K892 PolarHBondContact OD1-NZ 2.87Å
857I89.9Confident83.9Confident1 Ų140.3 Ų40.31%0.00521%0.205CC..Hα-helixtrans-98.3-53.1172.3-45.2160.8000109.9I796 L811 L815 I834 C838 L854 C855 F859 P860 L861I796-I857 HydrophobicContact CD1-CD1 3.96Å; L811-I857 HydrophobicContact CB-CG1 4.28Å; L811-I857 HydrophobicContact CB-CG2 4.08Å; L811-I857 HydrophobicContact CD1-CD1 4.05Å; L811-I857 HydrophobicContact CD1-CG2 4.29Å; L815-I857 HydrophobicContact CD1-CG2 4.33Å; I834-I857 HydrophobicContact CG2-CG2 4.06Å; C838-I857 VanDerWaalsContact SG-CD1 3.58Å; L854-I857 PolarHBondContact O-N 3.08Å; L854-I857 VanDerWaalsContact O-N 3.14Å; C855-I857 PolarHBondContact O-N 3.24Å; I857-F859 VanDerWaalsContact C-N 3.34Å; I857-F859 PolarHBondContact O-N 3.48Å; I857-P860 WeakPolarHBondContact O-CD 3.36Å; I857-P860 VanDerWaalsContact O-CG 3.3Å; I857-P860 WeakPolarHBondContact O-CG 3.31Å; I857-L861 HydrophobicContact CG2-CD1 3.72Å; I857-L861 HydrophobicContact CG2-CG 4.27Å; I857-L861 VanDerWaalsContact O-CB 3.3Å; I857-L861 WeakPolarHBondContact O-CB 3.3Å; I857-L861 VanDerWaalsContact O-CG 3.3Å; I857-L861 WeakPolarHBondContact O-CG 2.92Å; I857-L861 PolarHBondContact O-N 2.86Å; I857-L861 VanDerWaalsContact O-N 3.13Å
858L88.8Confident84.2Confident0 Ų040.5 Ų40.50%020%0.203CC..Hα-helixtrans-60.5-42.2-174.7-75.1173.3000112A835 C838 L842 L854 C855 L861 T862 F872 F895A835-L858 HydrophobicContact CB-CD2 4.34Å; C838-L858 HydrophobicContact CB-CD1 4.03Å; C838-L858 HydrophobicContact CB-CD2 3.81Å; C838-L858 HydrophobicContact CB-CG 3.77Å; L842-L858 HydrophobicContact CD2-CD1 4.28Å; L854-L858 PolarHBondContact O-N 3.17Å; C855-L858 PolarHBondContact O-N 3.01Å; L858-L861 WeakPolarHBondContact O-CB 3.36Å; L858-L861 PolarHBondContact O-N 3.49Å; L858-T862 WeakPolarHBondContact O-CB 3.32Å; L858-T862 VanDerWaalsContact O-CG2 3.28Å; L858-T862 WeakPolarHBondContact O-CG2 3.5Å; L858-T862 PolarHBondContact O-N 3.31Å; L858-T862 PolarHBondContact O-OG1 3.04Å; L858-F872 HydrophobicContact CD2-CZ 4.42Å; L858-F895 HydrophobicContact CB-CE1 4.2Å; L858-F895 HydrophobicContact CB-CZ 4.08Å
859F88.5Confident84.3Confident14 Ų1437.8 Ų37.86%0.06118%0.181CC..Hα-helixtrans-59.8-56.4-178.2179.7-99.7000113.3C855 I857 L861 T862 R863 M889 K892 F895C855-F859 WeakPolarHBondContact O-CB 3.36Å; C855-F859 PolarHBondContact O-N 2.91Å; I857-F859 VanDerWaalsContact C-N 3.34Å; I857-F859 PolarHBondContact O-N 3.48Å; F859-L861 VanDerWaalsContact C-N 3.33Å; F859-L861 PolarHBondContact O-N 3.38Å; F859-T862 PolarHBondContact O-N 3.36Å; F859-T862 PolarHBondContact O-OG1 2.98Å; F859-R863 WeakPolarHBondContact O-CB 3.24Å; F859-R863 PolarHBondContact O-N 3.08Å; F859-M889 WeakPolarHBondContact CE2-O 3.15Å; F859-M889 WeakPolarHBondContact CZ-O 3.3Å; F859-K892 HydrophobicContact CD1-CB 4.14Å; F859-K892 HydrophobicContact CD1-CD 4.41Å; F859-K892 HydrophobicContact CD1-CG 4.03Å; F859-K892 HydrophobicContact CD2-CB 4.39Å; F859-K892 HydrophobicContact CE1-CB 3.79Å; F859-K892 HydrophobicContact CE1-CG 4.19Å; F859-K892 HydrophobicContact CE2-CB 4.05Å; F859-K892 HydrophobicContact CG-CB 4.42Å; F859-K892 HydrophobicContact CG-CG 4.19Å; F859-K892 HydrophobicContact CZ-CB 3.73Å; F859-K892 HydrophobicContact CZ-CG 4.48Å; F859-F895 HydrophobicContact CB-CD1 4.04Å; F859-F895 HydrophobicContact CB-CE1 4.06Å; F859-F895 HydrophobicContact CB-CG 4.47Å; F859-F895 HydrophobicContact CB-CZ 4.5Å; F859-F895 HydrophobicContact CD2-CB 3.81Å; F859-F895 HydrophobicContact CD2-CD1 4.05Å; F859-F895 AromaticContact CD2-CD2 3.88Å; F859-F895 HydrophobicContact CD2-CD2 3.88Å; F859-F895 HydrophobicContact CD2-CE2 4.49Å; F859-F895 AromaticContact CD2-CG 3.65Å; F859-F895 HydrophobicContact CD2-CG 3.65Å; F859-F895 HydrophobicContact CE2-CB 4.17Å; F859-F895 HydrophobicContact CE2-CG 4.42Å
860P86.4Confident84.2Confident13 Ų1334.7 Ų34.78%0.08418%0.179CC..Hα-helixtrans-63.8-38176.522.4-31.1000112.1L815 D856 I857 T862 R863 E864 Y865L815-P860 HydrophobicContact CD1-CB 4.24Å; L815-P860 HydrophobicContact CD1-CG 3.81Å; D856-P860 WeakPolarHBondContact O-CD 3.49Å; D856-P860 VanDerWaalsContact O-CG 3.23Å; D856-P860 WeakPolarHBondContact O-CG 3.28Å; I857-P860 WeakPolarHBondContact O-CD 3.36Å; I857-P860 VanDerWaalsContact O-CG 3.3Å; I857-P860 WeakPolarHBondContact O-CG 3.31Å; P860-T862 VanDerWaalsContact C-N 3.35Å; P860-T862 PolarHBondContact O-N 3.17Å; P860-R863 PolarHBondContact O-N 3.39Å; P860-E864 WeakPolarHBondContact O-CB 3.37Å; P860-E864 PolarHBondContact O-N 3.3Å; P860-Y865 WeakPolarHBondContact O-CD2 3.27Å; P860-Y865 PolarHBondContact O-N 2.83Å
861L85.9Confident84Confident2 Ų237.3 Ų37.31%0.0120%0.196CC..Hα-helixtrans-55.2-49175.2-84.3-177.4000111.9L815 L827 I834 I857 L858 F859 Y865 A866 L869L815-L861 HydrophobicContact CD1-CD2 4.13Å; L815-L861 HydrophobicContact CD1-CG 3.93Å; L815-L861 HydrophobicContact CD2-CD2 3.9Å; L827-L861 HydrophobicContact CD1-CD2 4.35Å; L827-L861 HydrophobicContact CD2-CD2 3.59Å; I834-L861 HydrophobicContact CG2-CD1 4.07Å; I857-L861 HydrophobicContact CG2-CD1 3.72Å; I857-L861 HydrophobicContact CG2-CG 4.27Å; I857-L861 VanDerWaalsContact O-CB 3.3Å; I857-L861 WeakPolarHBondContact O-CB 3.3Å; I857-L861 VanDerWaalsContact O-CG 3.3Å; I857-L861 WeakPolarHBondContact O-CG 2.92Å; I857-L861 PolarHBondContact O-N 2.86Å; I857-L861 VanDerWaalsContact O-N 3.13Å; L858-L861 WeakPolarHBondContact O-CB 3.36Å; L858-L861 PolarHBondContact O-N 3.49Å; F859-L861 VanDerWaalsContact C-N 3.33Å; F859-L861 PolarHBondContact O-N 3.38Å; L861-Y865 CarbonylContact O-C 3.53Å; L861-Y865 WeakPolarHBondContact O-CA 3.45Å; L861-Y865 WeakPolarHBondContact O-CB 3.47Å; L861-Y865 PolarHBondContact O-N 2.96Å; L861-A866 PolarHBondContact O-N 3.36Å; L861-L869 VanDerWaalsContact C-CD1 3.47Å; L861-L869 HydrophobicContact CB-CD1 3.81Å; L861-L869 WeakPolarHBondContact O-CD1 3.43Å
862T83.6Confident83.8Confident3 Ų337.5 Ų37.52%0.01820%0.197CC..Hα-helixtrans-84.1-24.2-174.663.30000113.6L858 F859 P860 A866 L869 F872 F873 F886 M889L858-T862 WeakPolarHBondContact O-CB 3.32Å; L858-T862 VanDerWaalsContact O-CG2 3.28Å; L858-T862 WeakPolarHBondContact O-CG2 3.5Å; L858-T862 PolarHBondContact O-N 3.31Å; L858-T862 PolarHBondContact O-OG1 3.04Å; F859-T862 PolarHBondContact O-N 3.36Å; F859-T862 PolarHBondContact O-OG1 2.98Å; P860-T862 VanDerWaalsContact C-N 3.35Å; P860-T862 PolarHBondContact O-N 3.17Å; T862-A866 VanDerWaalsContact O-CB 3.29Å; T862-A866 WeakPolarHBondContact O-CB 2.99Å; T862-L869 HydrophobicContact CG2-CD1 4.19Å; T862-F872 HydrophobicContact CG2-CE1 4.24Å; T862-F873 HydrophobicContact CG2-CE1 4.07Å; T862-F873 HydrophobicContact CG2-CZ 3.9Å; T862-F886 HydrophobicContact CG2-CD1 4.2Å; T862-F886 HydrophobicContact CG2-CE1 3.47Å; T862-F886 VanDerWaalsContact CG2-CE1 3.47Å; T862-F886 HydrophobicContact CG2-CZ 4.38Å; T862-M889 VanDerWaalsContact O-SD 3.36Å
863R84.3Confident83.4Confident130 Ų13036.7 Ų36.749%0.49119%0.192SC..Hα-helixtrans-86.2-51.4179179.8-172.1165.3164.5-4112.5F859 P860 M889F859-R863 WeakPolarHBondContact O-CB 3.24Å; F859-R863 PolarHBondContact O-N 3.08Å; P860-R863 PolarHBondContact O-N 3.39Å; R863-M889 WeakPolarHBondContact CD-O 3.2Å
864E82.9Confident83.1Confident105 Ų10542.4 Ų42.449%0.49121%0.213SC..Hα-helixtrans-96.1-31.8-169.7-64.7172.4-163.500111.1P860P860-E864 WeakPolarHBondContact O-CB 3.37Å; P860-E864 PolarHBondContact O-N 3.3Å
865Y82.5Confident82.6Confident17 Ų1747.6 Ų47.67%0.06724%0.24CC..SBendtrans-117.225.6-173.1-57.3-77000113.4L815 E820 L823 L827 P860 L861 T867 F868L815-Y865 HydrophobicContact CB-CE2 4.4Å; L815-Y865 HydrophobicContact CD2-CD2 3.97Å; L815-Y865 HydrophobicContact CD2-CE2 3.93Å; L815-Y865 PolarHBondContact O-OH 3.19Å; E820-Y865 HydrophobicContact CG-CE1 4.12Å; L823-Y865 HydrophobicContact CB-CE1 4.39Å; L823-Y865 HydrophobicContact CD1-CE1 3.96Å; L823-Y865 HydrophobicContact CD1-CE2 4.43Å; L823-Y865 VanDerWaalsContact CD1-OH 3.23Å; L823-Y865 WeakPolarHBondContact CD1-OH 3.47Å; L827-Y865 HydrophobicContact CD1-CD1 3.56Å; L827-Y865 HydrophobicContact CD1-CD2 4.15Å; L827-Y865 HydrophobicContact CD1-CE1 4.25Å; L827-Y865 HydrophobicContact CD1-CG 3.49Å; L827-Y865 VanDerWaalsContact CD1-CG 3.49Å; P860-Y865 WeakPolarHBondContact O-CD2 3.27Å; P860-Y865 PolarHBondContact O-N 2.83Å; L861-Y865 CarbonylContact O-C 3.53Å; L861-Y865 WeakPolarHBondContact O-CA 3.45Å; L861-Y865 WeakPolarHBondContact O-CB 3.47Å; L861-Y865 PolarHBondContact O-N 2.96Å; Y865-T867 PolarHBondContact O-N 3.43Å; Y865-T867 VanDerWaalsContact O-N 3.13Å; Y865-F868 HydrophobicContact CD1-CD2 4.35Å; Y865-F868 HydrophobicContact CD1-CE2 4.27Å; Y865-F868 PolarHBondContact O-N 3.39Å; Y865-F868 VanDerWaalsContact O-N 3.09Å
866A80.8Confident82.1Confident37 Ų3749.1 Ų49.131%0.30625%0.248SC..G310 helixtrans-56.2-33-174.700000113.8L861 T862 F868 L869 F873L861-A866 PolarHBondContact O-N 3.36Å; T862-A866 VanDerWaalsContact O-CB 3.29Å; T862-A866 WeakPolarHBondContact O-CB 2.99Å; A866-F868 PolarHBondContact O-N 2.83Å; A866-L869 PolarHBondContact O-N 3.45Å; A866-F873 HydrophobicContact CB-CE2 4.08Å; A866-F873 HydrophobicContact CB-CZ 4.36Å
867T81.9Confident81.6Confident118 Ų11849.3 Ų49.372%0.72425%0.252SS*.G310 helixtrans-59-30.1-18048.50000112.6Y865Y865-T867 PolarHBondContact O-N 3.43Å; Y865-T867 VanDerWaalsContact O-N 3.13Å
868F78.7Confident80.8Confident56 Ų5659.9 Ų59.925%0.24630%0.298CS..G310 helixtrans-85.7-7.6179.1-56.2-74.9000113.2L827 T828 Y865 A866L827-F868 HydrophobicContact CB-CB 4Å; L827-F868 HydrophobicContact CB-CD2 4.44Å; L827-F868 HydrophobicContact CB-CG 4.14Å; L827-F868 HydrophobicContact CD1-CD2 4.45Å; T828-F868 VanDerWaalsContact OG1-CD1 3.3Å; T828-F868 WeakPolarHBondContact OG1-CD1 3.09Å; Y865-F868 HydrophobicContact CD1-CD2 4.35Å; Y865-F868 HydrophobicContact CD1-CE2 4.27Å; Y865-F868 PolarHBondContact O-N 3.39Å; Y865-F868 VanDerWaalsContact O-N 3.09Å; A866-F868 PolarHBondContact O-N 2.83Å
869L79.6Confident80.4Confident0 Ų061.3 Ų61.30%031%0.306CS..G310 helixtrans-109.716.7-172.5-60.3175.5000113.5G831 A835 L861 T862 A866 F872 F873G831-L869 VanDerWaalsContact C-CD2 3.5Å; G831-L869 WeakPolarHBondContact O-CD2 3.44Å; A835-L869 HydrophobicContact CB-CD2 4.22Å; L861-L869 VanDerWaalsContact C-CD1 3.47Å; L861-L869 HydrophobicContact CB-CD1 3.81Å; L861-L869 WeakPolarHBondContact O-CD1 3.43Å; T862-L869 HydrophobicContact CG2-CD1 4.19Å; A866-L869 PolarHBondContact O-N 3.45Å; L869-F872 HydrophobicContact CB-CB 4.3Å; L869-F872 WeakPolarHBondContact O-CB 3.43Å; L869-F872 PolarHBondContact O-N 3.22Å; L869-F873 HydrophobicContact CB-CD2 4.02Å; L869-F873 HydrophobicContact CB-CE2 3.68Å; L869-F873 HydrophobicContact CB-CZ 4.49Å; L869-F873 VanDerWaalsContact O-CD2 3.26Å; L869-F873 WeakPolarHBondContact O-CD2 3.31Å; L869-F873 PolarHBondContact O-N 3.34Å; L869-F873 VanDerWaalsContact O-N 3.12Å
870G74.7Confident80.1Confident33 Ų3367.6 Ų67.634%0.3434%0.335SS..Hα-helixtrans-47.5-47.2-179.400000114.9R874G870-R874 PolarHBondContact O-N 3.03Å
871P75.8Confident80Confident55 Ų5570.5 Ų70.536%0.35735%0.345SS..Hα-helixtrans-61-44.1174.2-22.833.8000113.1F873 R874 D875P871-F873 PolarHBondContact O-N 2.74Å; P871-R874 WeakPolarHBondContact O-CB 3.18Å; P871-R874 PolarHBondContact O-N 3.18Å; P871-D875 PolarHBondContact O-N 3.27Å
872F79.6Confident79.9Confident4 Ų470.6 Ų70.62%0.01835%0.346CS..Hα-helixtrans-58.5-45.9-179.8168.6-102.5000112.2H832 A835 V836 F839 L858 T862 L869 R874 D875 L876 F886H832-F872 WeakPolarHBondContact ND1-CA 3.35Å; H832-F872 PolarHBondContact ND1-N 2.78Å; A835-F872 HydrophobicContact CB-CB 4.38Å; A835-F872 HydrophobicContact CB-CD1 4.06Å; A835-F872 HydrophobicContact CB-CD2 3.52Å; A835-F872 HydrophobicContact CB-CE1 4.19Å; A835-F872 HydrophobicContact CB-CE2 3.67Å; A835-F872 HydrophobicContact CB-CG 3.72Å; A835-F872 HydrophobicContact CB-CZ 3.99Å; A835-F872 WeakPolarHBondContact O-CE2 3.42Å; V836-F872 HydrophobicContact CG2-CD2 3.97Å; F839-F872 HydrophobicContact CB-CE2 4.06Å; F839-F872 HydrophobicContact CB-CZ 4.31Å; F839-F872 HydrophobicContact CD2-CZ 4.4Å; F839-F872 HydrophobicContact CG-CE2 4.43Å; F839-F872 HydrophobicContact CG-CZ 4.47Å; L858-F872 HydrophobicContact CD2-CZ 4.42Å; T862-F872 HydrophobicContact CG2-CE1 4.24Å; L869-F872 HydrophobicContact CB-CB 4.3Å; L869-F872 WeakPolarHBondContact O-CB 3.43Å; L869-F872 PolarHBondContact O-N 3.22Å; F872-R874 PolarHBondContact O-N 3.39Å; F872-D875 PolarHBondContact O-N 3.5Å; F872-D875 VanDerWaalsContact O-N 3.08Å; F872-L876 HydrophobicContact CE1-CD1 4.26Å; F872-L876 HydrophobicContact CE1-CD2 4Å; F872-L876 HydrophobicContact CE1-CG 4.28Å; F872-L876 HydrophobicContact CE2-CD2 4.01Å; F872-L876 HydrophobicContact CZ-CD2 3.6Å; F872-L876 HydrophobicContact CZ-CG 4.32Å; F872-L876 PolarHBondContact O-N 3.22Å; F872-F886 HydrophobicContact CE1-CE1 4.34Å; F872-F886 AromaticContact CE1-CZ 3.86Å; F872-F886 HydrophobicContact CE1-CZ 3.86Å; F872-F886 HydrophobicContact CZ-CZ 4.07Å
873F78.1Confident79.8Confident64 Ų6474.1 Ų74.128%0.28137%0.37SS..Hα-helixtrans-64.6-25179.1-69.2-66.6000113.6T862 A866 L869 P871 L876 F886T862-F873 HydrophobicContact CG2-CE1 4.07Å; T862-F873 HydrophobicContact CG2-CZ 3.9Å; A866-F873 HydrophobicContact CB-CE2 4.08Å; A866-F873 HydrophobicContact CB-CZ 4.36Å; L869-F873 HydrophobicContact CB-CD2 4.02Å; L869-F873 HydrophobicContact CB-CE2 3.68Å; L869-F873 HydrophobicContact CB-CZ 4.49Å; L869-F873 VanDerWaalsContact O-CD2 3.26Å; L869-F873 WeakPolarHBondContact O-CD2 3.31Å; L869-F873 PolarHBondContact O-N 3.34Å; L869-F873 VanDerWaalsContact O-N 3.12Å; P871-F873 PolarHBondContact O-N 2.74Å; F873-L876 HydrophobicContact CD1-CD1 3.81Å; F873-F886 HydrophobicContact CE1-CD1 4.11Å; F873-F886 HydrophobicContact CE1-CE1 4.22Å
874R77.5Confident79.8Confident193 Ų19371.2 Ų71.273%0.72836%0.364SS*.Hα-helixtrans-77.1-27.8174.6-69.1-173.2-66.1-137.90.3112.7G870 P871 F872G870-R874 PolarHBondContact O-N 3.03Å; P871-R874 WeakPolarHBondContact O-CB 3.18Å; P871-R874 PolarHBondContact O-N 3.18Å; F872-R874 PolarHBondContact O-N 3.39Å
875D78.3Confident79.9Confident109 Ų10966.2 Ų66.258%0.58334%0.341SS*.Hα-helixtrans-92.1-2.4-176.5-59.1-26.3000113H832 P871 F872H832-D875 IonicContact CE1-OD2 3.8Å; H832-D875 PolarHBondContact CE1-OD2 3.48Å; H832-D875 VanDerWaalsContact CE1-OD2 3.29Å; H832-D875 IonicContact NE2-OD2 3.86Å; P871-D875 PolarHBondContact O-N 3.27Å; F872-D875 PolarHBondContact O-N 3.5Å; F872-D875 VanDerWaalsContact O-N 3.08Å
876L78.4Confident79.8Confident32 Ų3266.4 Ų66.417%0.16834%0.342CS..SBendtrans-63.5135.7177.7-77.4173000111.7F839 F872 F873 V882 F886F839-L876 HydrophobicContact CD2-CD2 4.09Å; F839-L876 HydrophobicContact CE1-CD2 4.29Å; F839-L876 HydrophobicContact CE2-CD2 3.84Å; F839-L876 HydrophobicContact CG-CD2 4.41Å; F839-L876 HydrophobicContact CZ-CD2 3.95Å; F872-L876 HydrophobicContact CE1-CD1 4.26Å; F872-L876 HydrophobicContact CE1-CD2 4Å; F872-L876 HydrophobicContact CE1-CG 4.28Å; F872-L876 HydrophobicContact CE2-CD2 4.01Å; F872-L876 HydrophobicContact CZ-CD2 3.6Å; F872-L876 HydrophobicContact CZ-CG 4.32Å; F872-L876 PolarHBondContact O-N 3.22Å; F873-L876 HydrophobicContact CD1-CD1 3.81Å; L876-V882 HydrophobicContact CB-CG1 4.43Å; L876-V882 HydrophobicContact CD1-CG1 4.49Å; L876-V882 HydrophobicContact CD2-CG1 4.21Å; L876-F886 HydrophobicContact CD1-CD2 3.62Å; L876-F886 HydrophobicContact CD1-CE2 3.3Å; L876-F886 HydrophobicContact CD1-CG 4.44Å; L876-F886 HydrophobicContact CD1-CZ 3.91Å; L876-F886 HydrophobicContact CD2-CE2 3.62Å; L876-F886 HydrophobicContact CD2-CZ 4.07Å; L876-F886 HydrophobicContact CG-CE2 4.11Å
877P76.8Confident80Confident50 Ų5068.4 Ų68.433%0.32536%0.358SS..  trans-65.2144.717626.5-32.3000111F839 D879 V882F839-P877 HydrophobicContact CE1-CG 3.63Å; F839-P877 HydrophobicContact CZ-CG 3.78Å; P877-D879 PolarHBondContact O-N 3.3Å; P877-V882 HydrophobicContact CG-CG2 4.33Å
878K74.8Confident80Confident223 Ų22365.1 Ų65.197%0.9734%0.335SS*.  trans-7572174.3-65.1-175.5-179.2-179.90110.5
879D80Confident80Confident30 Ų3065 Ų6516%0.1634%0.335CS..  trans-115.5141.4178.3-179.2-70.5000109.8P877 Y881 V882 S883 F902 H905P877-D879 PolarHBondContact O-N 3.3Å; D879-Y881 WeakPolarHBondContact OD1-CA 3.38Å; D879-Y881 WeakPolarHBondContact OD1-CB 3.38Å; D879-Y881 PolarHBondContact OD1-N 3.07Å; D879-V882 HydrophobicContact CB-CB 4.04Å; D879-V882 HydrophobicContact CB-CG2 3.68Å; D879-V882 PolarHBondContact O-N 2.86Å; D879-V882 PolarHBondContact OD1-N 3.18Å; D879-S883 PolarHBondContact O-N 2.99Å; D879-S883 PolarHBondContact O-OG 3.46Å; D879-F902 HydrophobicContact CB-CE2 4.36Å; D879-H905 IonicContact OD2-CE1 3.81Å; D879-H905 IonicContact OD2-ND1 3.47Å
880E82.7Confident80Confident145 Ų14569.4 Ų69.468%0.67837%0.367SS*.Hα-helixtrans-63.6-43.2-177.4-174.5-178.216800111.5V882 S883 I884E880-V882 VanDerWaalsContact C-N 3.31Å; E880-V882 PolarHBondContact O-N 2.84Å; E880-S883 WeakPolarHBondContact O-CB 3.49Å; E880-S883 PolarHBondContact O-N 3.44Å; E880-S883 VanDerWaalsContact O-N 3.17Å; E880-I884 HydrophobicContact CG-CD1 4.14Å; E880-I884 WeakPolarHBondContact O-CG1 3.38Å; E880-I884 PolarHBondContact O-N 3.4Å
881Y82.9Confident80.5Confident75 Ų7571 Ų7129%0.29437%0.367SS..Hα-helixtrans-68.7-32.8179.4-60.6-72.5000111.9D879 S883 I884 M885 R901 H905D879-Y881 WeakPolarHBondContact OD1-CA 3.38Å; D879-Y881 WeakPolarHBondContact OD1-CB 3.38Å; D879-Y881 PolarHBondContact OD1-N 3.07Å; Y881-S883 VanDerWaalsContact C-N 3.34Å; Y881-I884 HydrophobicContact CD1-CD1 4.47Å; Y881-I884 PolarHBondContact O-N 3.39Å; Y881-M885 VanDerWaalsContact O-CB 3.27Å; Y881-M885 WeakPolarHBondContact O-CB 3.43Å; Y881-M885 PolarHBondContact O-N 2.84Å; Y881-R901 HydrophobicContact CD1-CB 3.88Å; Y881-R901 HydrophobicContact CE1-CB 4.06Å; Y881-H905 HydrophobicContact CD2-CB 3.97Å; Y881-H905 AromaticContact CD2-CG 3.94Å; Y881-H905 HydrophobicContact CE2-CB 3.79Å; Y881-H905 AromaticContact CE2-CD2 3.77Å; Y881-H905 AromaticContact CE2-CG 3.64Å
882V83.2Confident80.9Confident4 Ų472.6 Ų72.62%0.02437%0.368CS..Hα-helixtrans-63.7-43.6172.2177.20000110.2F839 L876 P877 D879 E880 I884 M885 F886 F902F839-V882 HydrophobicContact CE2-CG1 4.25Å; F839-V882 HydrophobicContact CE2-CG2 4.09Å; F839-V882 HydrophobicContact CZ-CG1 4.16Å; F839-V882 HydrophobicContact CZ-CG2 3.65Å; L876-V882 HydrophobicContact CB-CG1 4.43Å; L876-V882 HydrophobicContact CD1-CG1 4.49Å; L876-V882 HydrophobicContact CD2-CG1 4.21Å; P877-V882 HydrophobicContact CG-CG2 4.33Å; D879-V882 HydrophobicContact CB-CB 4.04Å; D879-V882 HydrophobicContact CB-CG2 3.68Å; D879-V882 PolarHBondContact O-N 2.86Å; D879-V882 PolarHBondContact OD1-N 3.18Å; E880-V882 VanDerWaalsContact C-N 3.31Å; E880-V882 PolarHBondContact O-N 2.84Å; V882-I884 PolarHBondContact O-N 3.41Å; V882-M885 PolarHBondContact O-N 3.13Å; V882-F886 HydrophobicContact CG1-CD2 3.74Å; V882-F886 HydrophobicContact CG1-CE2 3.72Å; V882-F886 WeakPolarHBondContact O-CD2 3.37Å; V882-F886 PolarHBondContact O-N 3.33Å; V882-F902 HydrophobicContact CG2-CD2 3.6Å; V882-F902 HydrophobicContact CG2-CE1 4.32Å; V882-F902 HydrophobicContact CG2-CE2 3.34Å; V882-F902 HydrophobicContact CG2-CG 4.19Å; V882-F902 HydrophobicContact CG2-CZ 3.73Å
883S82.7Confident81.2Confident76 Ų7682.1 Ų82.153%0.53140%0.404SS..Hα-helixtrans-62-43.1176-55.70000111.7D879 E880 Y881 A887D879-S883 PolarHBondContact O-N 2.99Å; D879-S883 PolarHBondContact O-OG 3.46Å; E880-S883 WeakPolarHBondContact O-CB 3.49Å; E880-S883 PolarHBondContact O-N 3.44Å; E880-S883 VanDerWaalsContact O-N 3.17Å; Y881-S883 VanDerWaalsContact C-N 3.34Å; S883-A887 WeakPolarHBondContact O-CB 3.44Å; S883-A887 PolarHBondContact O-N 2.94Å
884I84.1Confident81.6Confident69 Ų6985.3 Ų85.335%0.35442%0.415SS..Hα-helixtrans-63.6-45.7175.3-65.9165.2000110.9E880 Y881 V882 F886 A887 E888 A898E880-I884 HydrophobicContact CG-CD1 4.14Å; E880-I884 WeakPolarHBondContact O-CG1 3.38Å; E880-I884 PolarHBondContact O-N 3.4Å; Y881-I884 HydrophobicContact CD1-CD1 4.47Å; Y881-I884 PolarHBondContact O-N 3.39Å; V882-I884 PolarHBondContact O-N 3.41Å; I884-F886 VanDerWaalsContact C-N 3.32Å; I884-F886 PolarHBondContact O-N 3.36Å; I884-A887 PolarHBondContact O-N 3.48Å; I884-A887 VanDerWaalsContact O-N 3.17Å; I884-E888 PolarHBondContact O-N 2.91Å; I884-E888 VanDerWaalsContact O-N 3.08Å; I884-A898 HydrophobicContact CG2-CB 3.95Å
885M84.3Confident82.1Confident0 Ų076.1 Ų76.10%038%0.38CS..Hα-helixtrans-57.4-47.1-179.4-172.6-179.475.400110.8F839 L842 Y881 V882 E888 F895 A898 A899F839-M885 HydrophobicContact CD2-CE 4.26Å; F839-M885 HydrophobicContact CE2-CE 3.94Å; L842-M885 HydrophobicContact CD2-SD 4.15Å; Y881-M885 VanDerWaalsContact O-CB 3.27Å; Y881-M885 WeakPolarHBondContact O-CB 3.43Å; Y881-M885 PolarHBondContact O-N 2.84Å; V882-M885 PolarHBondContact O-N 3.13Å; M885-E888 PolarHBondContact O-N 2.82Å; M885-F895 HydrophobicContact CE-CZ 4.19Å; M885-F895 HydrophobicContact CG-CD1 4.36Å; M885-F895 HydrophobicContact CG-CD2 3.89Å; M885-F895 HydrophobicContact CG-CE1 4.17Å; M885-F895 HydrophobicContact CG-CE2 3.68Å; M885-F895 HydrophobicContact CG-CG 4.22Å; M885-F895 HydrophobicContact CG-CZ 3.82Å; M885-F895 WeakPolarHBondContact O-CD2 3.4Å; M885-F895 HydrophobicContact SD-CE1 4.28Å; M885-F895 HydrophobicContact SD-CE2 4.49Å; M885-F895 HydrophobicContact SD-CZ 4.06Å; M885-A898 HydrophobicContact CB-CB 3.88Å; M885-A898 HydrophobicContact CG-CB 4.31Å; M885-A899 HydrophobicContact CG-CB 4.36Å; M885-A899 HydrophobicContact SD-CB 3.59Å; M885-A899 VanDerWaalsContact SD-CB 3.59Å
886F81.9Confident82.5Confident22 Ų2271.9 Ų71.910%0.09636%0.358CS..Hα-helixtrans-79.2-19178.6-69-62.2000113.9F839 T862 F872 F873 L876 V882 I884 E888 M889 F895F839-F886 HydrophobicContact CE2-CE2 4.36Å; T862-F886 HydrophobicContact CG2-CD1 4.2Å; T862-F886 HydrophobicContact CG2-CE1 3.47Å; T862-F886 VanDerWaalsContact CG2-CE1 3.47Å; T862-F886 HydrophobicContact CG2-CZ 4.38Å; F872-F886 HydrophobicContact CE1-CE1 4.34Å; F872-F886 AromaticContact CE1-CZ 3.86Å; F872-F886 HydrophobicContact CE1-CZ 3.86Å; F872-F886 HydrophobicContact CZ-CZ 4.07Å; F873-F886 HydrophobicContact CE1-CD1 4.11Å; F873-F886 HydrophobicContact CE1-CE1 4.22Å; L876-F886 HydrophobicContact CD1-CD2 3.62Å; L876-F886 HydrophobicContact CD1-CE2 3.3Å; L876-F886 HydrophobicContact CD1-CG 4.44Å; L876-F886 HydrophobicContact CD1-CZ 3.91Å; L876-F886 HydrophobicContact CD2-CE2 3.62Å; L876-F886 HydrophobicContact CD2-CZ 4.07Å; L876-F886 HydrophobicContact CG-CE2 4.11Å; V882-F886 HydrophobicContact CG1-CD2 3.74Å; V882-F886 HydrophobicContact CG1-CE2 3.72Å; V882-F886 WeakPolarHBondContact O-CD2 3.37Å; V882-F886 PolarHBondContact O-N 3.33Å; I884-F886 VanDerWaalsContact C-N 3.32Å; I884-F886 PolarHBondContact O-N 3.36Å; F886-E888 VanDerWaalsContact C-N 3.32Å; F886-M889 HydrophobicContact CB-CE 4.08Å; F886-M889 HydrophobicContact CD1-CE 4.41Å; F886-M889 HydrophobicContact CD1-CG 4.36Å; F886-M889 HydrophobicContact CD1-SD 4.04Å; F886-M889 WeakPolarHBondContact O-CE 3.4Å; F886-M889 VanDerWaalsContact O-CG 3.24Å; F886-M889 WeakPolarHBondContact O-CG 3.34Å; F886-F895 HydrophobicContact CD1-CE2 4.19Å; F886-F895 HydrophobicContact CE1-CE2 4.21Å; F886-F895 HydrophobicContact CE1-CZ 4.4Å
887A83Confident82.9Confident78 Ų7874.7 Ų74.765%0.64537%0.37SS*.Hα-helixtrans-69.7-31.2168.300000112.3S883 I884 M889S883-A887 WeakPolarHBondContact O-CB 3.44Å; S883-A887 PolarHBondContact O-N 2.94Å; I884-A887 PolarHBondContact O-N 3.48Å; I884-A887 VanDerWaalsContact O-N 3.17Å; A887-M889 VanDerWaalsContact C-N 3.3Å; A887-M889 PolarHBondContact O-N 2.95Å
888E83.3Confident83.3Confident49 Ų4972.5 Ų72.523%0.22936%0.356CS..THydrogen-bonded Turntrans-89.921.2-177-68.8-70.8175.600113.8I884 M885 F886 S890 N891 R894I884-E888 PolarHBondContact O-N 2.91Å; I884-E888 VanDerWaalsContact O-N 3.08Å; M885-E888 PolarHBondContact O-N 2.82Å; F886-E888 VanDerWaalsContact C-N 3.32Å; E888-S890 PolarHBondContact O-N 3.41Å; E888-N891 PolarHBondContact O-N 2.92Å; E888-R894 HydrophobicContact CB-CB 3.91Å; E888-R894 VanDerWaalsContact CD-CD 3.48Å; E888-R894 HydrophobicContact CG-CB 3.96Å; E888-R894 IonicContact OE1-NH1 2.85Å; E888-R894 PolarHBondContact OE1-NH1 2.99Å; E888-R894 WeakPolarHBondContact OE2-CD 3.37Å; E888-R894 IonicContact OE2-NH1 3.14Å; E888-R894 PolarHBondContact OE2-NH1 3.16Å
889M78.5Confident83.9Confident53 Ų5361.9 Ų61.926%0.26131%0.31SS..THydrogen-bonded Turntrans-59.6-12.3179.2-77.4-171.1-82.600114.6F859 T862 R863 F886 A887 F895F859-M889 WeakPolarHBondContact CE2-O 3.15Å; F859-M889 WeakPolarHBondContact CZ-O 3.3Å; T862-M889 VanDerWaalsContact O-SD 3.36Å; R863-M889 WeakPolarHBondContact CD-O 3.2Å; F886-M889 HydrophobicContact CB-CE 4.08Å; F886-M889 HydrophobicContact CD1-CE 4.41Å; F886-M889 HydrophobicContact CD1-CG 4.36Å; F886-M889 HydrophobicContact CD1-SD 4.04Å; F886-M889 WeakPolarHBondContact O-CE 3.4Å; F886-M889 VanDerWaalsContact O-CG 3.24Å; F886-M889 WeakPolarHBondContact O-CG 3.34Å; A887-M889 VanDerWaalsContact C-N 3.3Å; A887-M889 PolarHBondContact O-N 2.95Å; M889-F895 HydrophobicContact CG-CD2 4.37Å; M889-F895 HydrophobicContact CG-CE2 4.33Å
890S80.2Confident84.2Confident94 Ų9463.5 Ų63.566%0.65732%0.316SS*.THydrogen-bonded Turntrans-80.1-26.317463.30000113.4E888E888-S890 PolarHBondContact O-N 3.41Å
891N84.6Confident84.3Confident65 Ų6562.4 Ų62.435%0.34831%0.305SS..  trans-126.1104.3-173.9-173.5-27.1000111.4E888 R893 R894 F895E888-N891 PolarHBondContact O-N 2.92Å; N891-R893 PolarHBondContact O-N 3.34Å; N891-R893 VanDerWaalsContact O-N 3.13Å; N891-R893 WeakPolarHBondContact OD1-CB 3.34Å; N891-R893 PolarHBondContact OD1-N 2.94Å; N891-R894 HydrophobicContact CB-CB 4.24Å; N891-R894 HydrophobicContact CB-CG 4.31Å; N891-R894 PolarHBondContact O-N 3.39Å; N891-R894 VanDerWaalsContact O-N 3.08Å; N891-R894 PolarHBondContact OD1-N 3.13Å; N891-F895 PolarHBondContact O-N 3.44Å
892K84.8Confident84.4Confident89 Ų8958.9 Ų58.939%0.38729%0.292SS..Hα-helixtrans-51.5-40.3-179.8-172.4-176.8176.8-170.30113.2D856 F859 R894 F895 V896D856-K892 WeakPolarHBondContact OD1-CE 3.36Å; D856-K892 IonicContact OD1-NZ 2.74Å; D856-K892 PolarHBondContact OD1-NZ 2.87Å; F859-K892 HydrophobicContact CD1-CB 4.14Å; F859-K892 HydrophobicContact CD1-CD 4.41Å; F859-K892 HydrophobicContact CD1-CG 4.03Å; F859-K892 HydrophobicContact CD2-CB 4.39Å; F859-K892 HydrophobicContact CE1-CB 3.79Å; F859-K892 HydrophobicContact CE1-CG 4.19Å; F859-K892 HydrophobicContact CE2-CB 4.05Å; F859-K892 HydrophobicContact CG-CB 4.42Å; F859-K892 HydrophobicContact CG-CG 4.19Å; F859-K892 HydrophobicContact CZ-CB 3.73Å; F859-K892 HydrophobicContact CZ-CG 4.48Å; K892-R894 PolarHBondContact O-N 3.03Å; K892-F895 PolarHBondContact O-N 3.26Å; K892-V896 HydrophobicContact CG-CG2 4.41Å; K892-V896 VanDerWaalsContact O-CG2 3.24Å; K892-V896 WeakPolarHBondContact O-CG2 3.38Å; K892-V896 PolarHBondContact O-N 3.03Å
893R85.2Confident84.6Confident204 Ų20459 Ų5977%0.7729%0.292SS*.Hα-helixtrans-64.6-43.4-177.8-174.3177.5177.8172.80.7111.3N891 E897N891-R893 PolarHBondContact O-N 3.34Å; N891-R893 VanDerWaalsContact O-N 3.13Å; N891-R893 WeakPolarHBondContact OD1-CB 3.34Å; N891-R893 PolarHBondContact OD1-N 2.94Å; R893-E897 PolarHBondContact O-N 3.09Å; R893-E897 VanDerWaalsContact O-N 3.08Å
894R86.5Confident84.6Confident132 Ų13260.2 Ų60.250%0.49829%0.291SS..Hα-helixtrans-71.5-38.5178.3-68.5-176.6177-179.2-0.7112E888 N891 K892 V896 E897 A898E888-R894 HydrophobicContact CB-CB 3.91Å; E888-R894 VanDerWaalsContact CD-CD 3.48Å; E888-R894 HydrophobicContact CG-CB 3.96Å; E888-R894 IonicContact OE1-NH1 2.85Å; E888-R894 PolarHBondContact OE1-NH1 2.99Å; E888-R894 WeakPolarHBondContact OE2-CD 3.37Å; E888-R894 IonicContact OE2-NH1 3.14Å; E888-R894 PolarHBondContact OE2-NH1 3.16Å; N891-R894 HydrophobicContact CB-CB 4.24Å; N891-R894 HydrophobicContact CB-CG 4.31Å; N891-R894 PolarHBondContact O-N 3.39Å; N891-R894 VanDerWaalsContact O-N 3.08Å; N891-R894 PolarHBondContact OD1-N 3.13Å; K892-R894 PolarHBondContact O-N 3.03Å; R894-V896 PolarHBondContact O-N 3.39Å; R894-E897 PolarHBondContact O-N 3.04Å; R894-A898 WeakPolarHBondContact O-CB 3.48Å; R894-A898 PolarHBondContact O-N 2.93Å
895F87.5Confident84.5Confident0 Ų060.6 Ų60.60%029%0.291CS..Hα-helixtrans-55.2-49.9172.2-176-83.7000111.6C855 L858 F859 M885 F886 M889 N891 K892 E897 A898 A899C855-F895 HydrophobicContact CB-CD1 4.26Å; C855-F895 HydrophobicContact CB-CE1 4.17Å; L858-F895 HydrophobicContact CB-CE1 4.2Å; L858-F895 HydrophobicContact CB-CZ 4.08Å; F859-F895 HydrophobicContact CB-CD1 4.04Å; F859-F895 HydrophobicContact CB-CE1 4.06Å; F859-F895 HydrophobicContact CB-CG 4.47Å; F859-F895 HydrophobicContact CB-CZ 4.5Å; F859-F895 HydrophobicContact CD2-CB 3.81Å; F859-F895 HydrophobicContact CD2-CD1 4.05Å; F859-F895 AromaticContact CD2-CD2 3.88Å; F859-F895 HydrophobicContact CD2-CD2 3.88Å; F859-F895 HydrophobicContact CD2-CE2 4.49Å; F859-F895 AromaticContact CD2-CG 3.65Å; F859-F895 HydrophobicContact CD2-CG 3.65Å; F859-F895 HydrophobicContact CE2-CB 4.17Å; F859-F895 HydrophobicContact CE2-CG 4.42Å; M885-F895 HydrophobicContact CE-CZ 4.19Å; M885-F895 HydrophobicContact CG-CD1 4.36Å; M885-F895 HydrophobicContact CG-CD2 3.89Å; M885-F895 HydrophobicContact CG-CE1 4.17Å; M885-F895 HydrophobicContact CG-CE2 3.68Å; M885-F895 HydrophobicContact CG-CG 4.22Å; M885-F895 HydrophobicContact CG-CZ 3.82Å; M885-F895 WeakPolarHBondContact O-CD2 3.4Å; M885-F895 HydrophobicContact SD-CE1 4.28Å; M885-F895 HydrophobicContact SD-CE2 4.49Å; M885-F895 HydrophobicContact SD-CZ 4.06Å; F886-F895 HydrophobicContact CD1-CE2 4.19Å; F886-F895 HydrophobicContact CE1-CE2 4.21Å; F886-F895 HydrophobicContact CE1-CZ 4.4Å; M889-F895 HydrophobicContact CG-CD2 4.37Å; M889-F895 HydrophobicContact CG-CE2 4.33Å; N891-F895 PolarHBondContact O-N 3.44Å; K892-F895 PolarHBondContact O-N 3.26Å; F895-E897 PolarHBondContact O-N 3.43Å; F895-A898 PolarHBondContact O-N 3.39Å; F895-A899 WeakPolarHBondContact O-CB 3.25Å; F895-A899 PolarHBondContact O-N 2.97Å
896V87Confident84.5Confident20 Ų2061.1 Ų61.112%0.12130%0.295CS..Hα-helixtrans-63.3-40.6178.3171.50000111.7E852 C855 K892 R894 A899 K900E852-V896 HydrophobicContact CG-CG1 3.89Å; C855-V896 HydrophobicContact CB-CG2 3.7Å; K892-V896 HydrophobicContact CG-CG2 4.41Å; K892-V896 VanDerWaalsContact O-CG2 3.24Å; K892-V896 WeakPolarHBondContact O-CG2 3.38Å; K892-V896 PolarHBondContact O-N 3.03Å; R894-V896 PolarHBondContact O-N 3.39Å; V896-A899 PolarHBondContact O-N 2.71Å; V896-K900 HydrophobicContact CG1-CD 4.5Å; V896-K900 WeakPolarHBondContact O-CG 3.45Å; V896-K900 PolarHBondContact O-N 2.99Å
897E86.7Confident84.3Confident90 Ų9065 Ų6542%0.42131%0.308SS..Hα-helixtrans-65.4-41.7178.2-166.2179.2163.200112.1R893 R894 F895 K900 R901R893-E897 PolarHBondContact O-N 3.09Å; R893-E897 VanDerWaalsContact O-N 3.08Å; R894-E897 PolarHBondContact O-N 3.04Å; F895-E897 PolarHBondContact O-N 3.43Å; E897-K900 PolarHBondContact O-N 3.17Å; E897-R901 WeakPolarHBondContact O-CG 3.46Å; E897-R901 PolarHBondContact O-N 3.28Å; E897-R901 VanDerWaalsContact O-N 3.07Å; E897-R901 IonicContact OE1-CZ 3.66Å; E897-R901 IonicContact OE1-NE 2.86Å; E897-R901 IonicContact OE1-NH2 3.5Å; E897-R901 PolarHBondContact OE1-NH2 3.06Å
898A86.3Confident83.9Confident5 Ų566.9 Ų66.94%0.04130%0.304CS..Hα-helixtrans-63.1-42.1173.800000111.7I884 M885 R894 F895 K900 R901 F902I884-A898 HydrophobicContact CG2-CB 3.95Å; M885-A898 HydrophobicContact CB-CB 3.88Å; M885-A898 HydrophobicContact CG-CB 4.31Å; R894-A898 WeakPolarHBondContact O-CB 3.48Å; R894-A898 PolarHBondContact O-N 2.93Å; F895-A898 PolarHBondContact O-N 3.39Å; A898-K900 PolarHBondContact O-N 2.92Å; A898-R901 PolarHBondContact O-N 3.35Å; A898-F902 PolarHBondContact O-N 3.38Å
899A86.2Confident83.2Confident0 Ų066.9 Ų66.90%031%0.312CS..Hα-helixtrans-61.1-41.1175.400000112.5L842 V851 C855 M885 F895 V896 F902 N903L842-A899 HydrophobicContact CD1-CB 4.29Å; L842-A899 HydrophobicContact CD2-CB 4.14Å; V851-A899 HydrophobicContact CG1-CB 4.22Å; C855-A899 WeakPolarHBondContact SG-CB 3.34Å; M885-A899 HydrophobicContact CG-CB 4.36Å; M885-A899 HydrophobicContact SD-CB 3.59Å; M885-A899 VanDerWaalsContact SD-CB 3.59Å; F895-A899 WeakPolarHBondContact O-CB 3.25Å; F895-A899 PolarHBondContact O-N 2.97Å; V896-A899 PolarHBondContact O-N 2.71Å; A899-F902 PolarHBondContact O-N 3.04Å; A899-N903 WeakPolarHBondContact O-CB 3.39Å; A899-N903 PolarHBondContact O-N 3.35Å
900K87Confident82.3Confident63 Ų6368.1 Ų68.127%0.27432%0.318SS..Hα-helixtrans-62.4-41.3173.9-74.1178.9179.4-176.40111.9V851 E852 V896 E897 A898 N903 M904V851-K900 HydrophobicContact CB-CG 4.44Å; V851-K900 HydrophobicContact CG1-CG 3.74Å; E852-K900 WeakPolarHBondContact OE1-CE 3.29Å; E852-K900 IonicContact OE1-NZ 3.7Å; E852-K900 PolarHBondContact OE1-NZ 3.49Å; V896-K900 HydrophobicContact CG1-CD 4.5Å; V896-K900 WeakPolarHBondContact O-CG 3.45Å; V896-K900 PolarHBondContact O-N 2.99Å; E897-K900 PolarHBondContact O-N 3.17Å; A898-K900 PolarHBondContact O-N 2.92Å; K900-N903 PolarHBondContact O-N 2.73Å; K900-M904 WeakPolarHBondContact O-CG 3.27Å; K900-M904 PolarHBondContact O-N 3.36Å
901R85.6Confident81.1Confident122 Ų12267 Ų6746%0.4631%0.314SS..Hα-helixtrans-64.4-44.7175.9-68176.1-170.8-1703.4111.7Y881 E897 A898 M904 H905Y881-R901 HydrophobicContact CD1-CB 3.88Å; Y881-R901 HydrophobicContact CE1-CB 4.06Å; E897-R901 WeakPolarHBondContact O-CG 3.46Å; E897-R901 PolarHBondContact O-N 3.28Å; E897-R901 VanDerWaalsContact O-N 3.07Å; E897-R901 IonicContact OE1-CZ 3.66Å; E897-R901 IonicContact OE1-NE 2.86Å; E897-R901 IonicContact OE1-NH2 3.5Å; E897-R901 PolarHBondContact OE1-NH2 3.06Å; A898-R901 PolarHBondContact O-N 3.35Å; R901-M904 HydrophobicContact CB-CE 4.5Å; R901-M904 HydrophobicContact CG-CE 4.18Å; R901-M904 PolarHBondContact O-N 3.14Å; R901-H905 WeakPolarHBondContact O-CB 3.45Å; R901-H905 PolarHBondContact O-N 3.46Å
902F85Confident79.5Confident2 Ų274 Ų741%0.00934%0.335CS..Hα-helixtrans-59-46.9174.4173.2-113.9000112.5F839 L842 R843 D879 V882 A898 A899 M904 H905 C906F839-F902 HydrophobicContact CE1-CE1 4.2Å; F839-F902 AromaticContact CE1-CZ 3.99Å; F839-F902 HydrophobicContact CE1-CZ 3.99Å; F839-F902 AromaticContact CE2-CE1 3.91Å; F839-F902 HydrophobicContact CE2-CE1 3.91Å; F839-F902 HydrophobicContact CE2-CZ 4.23Å; F839-F902 AromaticContact CZ-CE1 3.65Å; F839-F902 HydrophobicContact CZ-CE1 3.65Å; F839-F902 HydrophobicContact CZ-CE2 4.45Å; F839-F902 AromaticContact CZ-CZ 3.53Å; F839-F902 HydrophobicContact CZ-CZ 3.53Å; L842-F902 HydrophobicContact CD2-CD1 3.98Å; L842-F902 HydrophobicContact CD2-CE1 4.34Å; L842-F902 HydrophobicContact CG-CD1 4.12Å; L842-F902 HydrophobicContact CG-CE1 4.42Å; R843-F902 HydrophobicContact CG-CE1 3.61Å; R843-F902 HydrophobicContact CG-CZ 3.59Å; D879-F902 HydrophobicContact CB-CE2 4.36Å; V882-F902 HydrophobicContact CG2-CD2 3.6Å; V882-F902 HydrophobicContact CG2-CE1 4.32Å; V882-F902 HydrophobicContact CG2-CE2 3.34Å; V882-F902 HydrophobicContact CG2-CG 4.19Å; V882-F902 HydrophobicContact CG2-CZ 3.73Å; A898-F902 PolarHBondContact O-N 3.38Å; A899-F902 PolarHBondContact O-N 3.04Å; F902-M904 PolarHBondContact O-N 3.23Å; F902-H905 WeakPolarHBondContact O-CB 3.32Å; F902-H905 PolarHBondContact O-N 2.91Å; F902-C906 WeakPolarHBondContact CE2-SG 2.76Å; F902-C906 WeakPolarHBondContact CZ-SG 3.37Å; F902-C906 PolarHBondContact O-N 2.94Å; F902-C906 PolarHBondContact O-SG 2.95Å; F902-C906 VanDerWaalsContact O-SG 3.37Å
903N86.8Confident78Confident7 Ų776 Ų764%0.03736%0.355CS..Hα-helixtrans-57.8-48.2176169.5-97000111.8L842 E845 V851 A899 K900 H905 C906 R907L842-N903 HydrophobicContact CD1-CB 4.22Å; L842-N903 WeakPolarHBondContact O-CB 3.47Å; L842-N903 PolarHBondContact O-ND2 2.96Å; E845-N903 PolarHBondContact O-ND2 2.75Å; E845-N903 PolarHBondContact O-OD1 3.24Å; V851-N903 HydrophobicContact CG2-CB 4.13Å; A899-N903 WeakPolarHBondContact O-CB 3.39Å; A899-N903 PolarHBondContact O-N 3.35Å; K900-N903 PolarHBondContact O-N 2.73Å; N903-H905 VanDerWaalsContact C-N 3.33Å; N903-H905 PolarHBondContact O-N 2.79Å; N903-C906 PolarHBondContact O-N 3.38Å; N903-R907 WeakPolarHBondContact O-CG 3.32Å; N903-R907 PolarHBondContact O-N 2.91Å
904M82.9Confident76Confident100 Ų10072.8 Ų72.849%0.49337%0.372SS..Hα-helixtrans-59.7-44.1176.6-73.1-174-60.700111.7K900 R901 F902 R907 Q908K900-M904 WeakPolarHBondContact O-CG 3.27Å; K900-M904 PolarHBondContact O-N 3.36Å; R901-M904 HydrophobicContact CB-CE 4.5Å; R901-M904 HydrophobicContact CG-CE 4.18Å; R901-M904 PolarHBondContact O-N 3.14Å; F902-M904 PolarHBondContact O-N 3.23Å; M904-R907 PolarHBondContact O-N 3.4Å; M904-Q908 WeakPolarHBondContact O-CG 3.33Å; M904-Q908 PolarHBondContact O-N 3.13Å
905H82.6Confident75.4Confident77 Ų7769.9 Ų69.936%0.35637%0.366SS..Hα-helixtrans-60.6-46.5177.8-180-105000112.1D879 Y881 R901 F902 N903 R907 Q908 A909D879-H905 IonicContact OD2-CE1 3.81Å; D879-H905 IonicContact OD2-ND1 3.47Å; Y881-H905 HydrophobicContact CD2-CB 3.97Å; Y881-H905 AromaticContact CD2-CG 3.94Å; Y881-H905 HydrophobicContact CE2-CB 3.79Å; Y881-H905 AromaticContact CE2-CD2 3.77Å; Y881-H905 AromaticContact CE2-CG 3.64Å; R901-H905 WeakPolarHBondContact O-CB 3.45Å; R901-H905 PolarHBondContact O-N 3.46Å; F902-H905 WeakPolarHBondContact O-CB 3.32Å; F902-H905 PolarHBondContact O-N 2.91Å; N903-H905 VanDerWaalsContact C-N 3.33Å; N903-H905 PolarHBondContact O-N 2.79Å; H905-R907 PolarHBondContact O-N 3.1Å; H905-Q908 PolarHBondContact O-N 3Å; H905-A909 PolarHBondContact O-N 3.24Å; H905-A909 VanDerWaalsContact O-N 3.12Å
906C82.5Confident74.8Confident12 Ų1273.5 Ų73.58%0.08139%0.385CS..Hα-helixtrans-62.6-44.3178.2-70.90000112.5R843 F902 N903 Q908 A909 E910R843-C906 HydrophobicContact CB-CB 4.18Å; R843-C906 WeakPolarHBondContact O-CB 3.35Å; F902-C906 WeakPolarHBondContact CE2-SG 2.76Å; F902-C906 WeakPolarHBondContact CZ-SG 3.37Å; F902-C906 PolarHBondContact O-N 2.94Å; F902-C906 PolarHBondContact O-SG 2.95Å; F902-C906 VanDerWaalsContact O-SG 3.37Å; N903-C906 PolarHBondContact O-N 3.38Å; C906-Q908 VanDerWaalsContact C-N 3.34Å; C906-Q908 PolarHBondContact O-N 3.48Å; C906-A909 WeakPolarHBondContact O-CB 3.47Å; C906-A909 PolarHBondContact O-N 3.31Å; C906-E910 PolarHBondContact O-N 3.02Å
907R78.1Confident74.1Confident103 Ų10376.5 Ų76.539%0.38940%0.4SS..Hα-helixtrans-65.2-36.6179.1-73.1-179.560.5-161.82.8112.9E845 P846 N903 M904 H905 A909 E910 A911E845-R907 WeakPolarHBondContact O-CD 3.37Å; P846-R907 VanDerWaalsContact CA-CZ 3.41Å; P846-R907 VanDerWaalsContact CA-NH1 3.26Å; P846-R907 PolarHBondContact O-NH1 3.18Å; N903-R907 WeakPolarHBondContact O-CG 3.32Å; N903-R907 PolarHBondContact O-N 2.91Å; M904-R907 PolarHBondContact O-N 3.4Å; H905-R907 PolarHBondContact O-N 3.1Å; R907-A909 VanDerWaalsContact C-N 3.32Å; R907-E910 PolarHBondContact O-N 2.85Å; R907-A911 WeakPolarHBondContact O-CB 3.44Å; R907-A911 PolarHBondContact O-N 2.87Å
908Q76.1Confident73.4Confident117 Ų11775.7 Ų75.755%0.54740%0.399SS..Hα-helixtrans-65.5-37174.1-74.8177.2-400111.9M904 H905 C906 R912M904-Q908 WeakPolarHBondContact O-CG 3.33Å; M904-Q908 PolarHBondContact O-N 3.13Å; H905-Q908 PolarHBondContact O-N 3Å; C906-Q908 VanDerWaalsContact C-N 3.34Å; C906-Q908 PolarHBondContact O-N 3.48Å; Q908-R912 WeakPolarHBondContact O-CG 3.49Å; Q908-R912 PolarHBondContact O-N 3.26Å
909A67.4Low72.6Confident49 Ų4980.1 Ų80.141%0.40542%0.421SS..Hα-helixtrans-67.7-43.6175.500000111.9H905 C906 R907 A911 R912 V913H905-A909 PolarHBondContact O-N 3.24Å; H905-A909 VanDerWaalsContact O-N 3.12Å; C906-A909 WeakPolarHBondContact O-CB 3.47Å; C906-A909 PolarHBondContact O-N 3.31Å; R907-A909 VanDerWaalsContact C-N 3.32Å; A909-A911 PolarHBondContact O-N 3.19Å; A909-R912 PolarHBondContact O-N 2.66Å; A909-V913 WeakPolarHBondContact O-CG2 3.42Å; A909-V913 PolarHBondContact O-N 2.92Å
910E59.5Low71.7Confident80 Ų8085.5 Ų85.537%0.37445%0.449SS..Hα-helixtrans-63.8-40.2176.5-73.9-175.8165.800112K844 C906 R907 R912 V913 A914K844-E910 WeakPolarHBondContact CE-OE1 3.41Å; C906-E910 PolarHBondContact O-N 3.02Å; R907-E910 PolarHBondContact O-N 2.85Å; E910-R912 PolarHBondContact O-N 2.71Å; E910-V913 PolarHBondContact O-N 3.04Å; E910-V913 VanDerWaalsContact O-N 3.08Å; E910-A914 PolarHBondContact O-N 2.72Å
911A55.8Low70.6Confident71 Ų7187.1 Ų87.159%0.58746%0.461SS*.Hα-helixtrans-67.1-14.9175.600000114.4R907 A909R907-A911 WeakPolarHBondContact O-CB 3.44Å; R907-A911 PolarHBondContact O-N 2.87Å; A909-A911 PolarHBondContact O-N 3.19Å
912R51.1Low69.4Low210 Ų21084.4 Ų84.479%0.79246%0.462SS*.Hα-helixtrans-89.7-19.2172.1-73.7175.4-179.9-179.60.2113.1Q908 A909 E910Q908-R912 WeakPolarHBondContact O-CG 3.49Å; Q908-R912 PolarHBondContact O-N 3.26Å; A909-R912 PolarHBondContact O-N 2.66Å; E910-R912 PolarHBondContact O-N 2.71Å
913V51.6Low68.1Low133 Ų13391.3 Ų91.381%0.80650%0.499SS*.Hα-helixtrans-94.9-32.4-178.4176.10000111.2A909 E910A909-V913 WeakPolarHBondContact O-CG2 3.42Å; A909-V913 PolarHBondContact O-N 2.92Å; E910-V913 PolarHBondContact O-N 3.04Å; E910-V913 VanDerWaalsContact O-N 3.08Å
914A43.3Very low66.4Low136 Ų13698.9 Ų98.9100%1.12454%0.541SS*.  trans-75.60166.400000110.6E910E910-A914 PolarHBondContact O-N 2.72Å

Retrieved 914 of 914 residues in 3541.1 ms (Link to these results)

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