A0A5K4F8Z1_SCHMA Loading...

PXA domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F8Z1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 376 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
1M75.9Confident81.9Confident67 Ų6785.4 Ų85.433%0.3347%0.466SS..  0-39.50-70.1-45.6-66.400111.9D3 V4 R5 A25 E29M1-D3 VanDerWaalsContact C-N 3.26Å; M1-D3 PolarHBondContact O-N 2.77Å; M1-V4 HydrophobicContact CE-CB 4.3Å; M1-V4 HydrophobicContact CE-CG1 4.45Å; M1-V4 HydrophobicContact CE-CG2 4.48Å; M1-V4 WeakPolarHBondContact O-CB 3.26Å; M1-V4 PolarHBondContact O-N 2.89Å; M1-V4 HydrophobicContact SD-CG2 4.34Å; M1-R5 PolarHBondContact O-N 3.3Å; M1-A25 HydrophobicContact CE-CB 3.83Å; M1-A25 WeakPolarHBondContact CE-O 3.28Å; M1-E29 HydrophobicContact CE-CB 3.76Å; M1-E29 HydrophobicContact CE-CG 4.28Å; M1-E29 HydrophobicContact CG-CG 4.14Å; M1-E29 HydrophobicContact SD-CB 3.85Å; M1-E29 HydrophobicContact SD-CG 3.76Å
2D79.6Confident81.9Confident120 Ų12083.8 Ų83.864%0.64246%0.456SS*.Hα-helixtrans-53.3-40.7175.3-57.1-28.2000113.4V4 R5 S6D2-V4 PolarHBondContact O-N 2.83Å; D2-R5 PolarHBondContact O-N 2.85Å; D2-S6 VanDerWaalsContact O-CB 3.31Å; D2-S6 WeakPolarHBondContact O-CB 3.34Å; D2-S6 PolarHBondContact O-N 3.46Å
3D79.9Confident81.7Confident127 Ų12783.5 Ų83.568%0.67946%0.461SS*.Hα-helixtrans-63.7-39.2175.4-60.4-33.7000112.7M1 S6 I7M1-D3 VanDerWaalsContact C-N 3.26Å; M1-D3 PolarHBondContact O-N 2.77Å; D3-S6 WeakPolarHBondContact O-CB 3.45Å; D3-S6 PolarHBondContact O-N 3.45Å; D3-I7 WeakPolarHBondContact O-CB 3.48Å; D3-I7 WeakPolarHBondContact O-CD1 3.29Å; D3-I7 WeakPolarHBondContact O-CG1 3.27Å; D3-I7 PolarHBondContact O-N 2.85Å
4V79.2Confident81.5Confident29 Ų2986.9 Ų86.918%0.17649%0.494CS..Hα-helixtrans-66.1-45.1178.2-179.20000109.7M1 D2 S6 I7 L8 L28 L32M1-V4 HydrophobicContact CE-CB 4.3Å; M1-V4 HydrophobicContact CE-CG1 4.45Å; M1-V4 HydrophobicContact CE-CG2 4.48Å; M1-V4 WeakPolarHBondContact O-CB 3.26Å; M1-V4 PolarHBondContact O-N 2.89Å; M1-V4 HydrophobicContact SD-CG2 4.34Å; D2-V4 PolarHBondContact O-N 2.83Å; V4-S6 VanDerWaalsContact C-N 3.34Å; V4-S6 PolarHBondContact O-N 2.83Å; V4-I7 PolarHBondContact O-N 3.05Å; V4-L8 HydrophobicContact CG1-CD1 4.01Å; V4-L8 HydrophobicContact CG1-CG 4.43Å; V4-L8 WeakPolarHBondContact O-CB 3.47Å; V4-L8 VanDerWaalsContact O-CG 3.27Å; V4-L8 WeakPolarHBondContact O-CG 3.32Å; V4-L8 PolarHBondContact O-N 3.05Å; V4-L28 HydrophobicContact CG1-CD1 4.31Å; V4-L32 HydrophobicContact CB-CD1 4.45Å; V4-L32 HydrophobicContact CG1-CD1 4.12Å; V4-L32 HydrophobicContact CG2-CD1 3.47Å; V4-L32 VanDerWaalsContact CG2-CD1 3.47Å
5R82.2Confident81.5Confident83 Ų8389.9 Ų89.931%0.31351%0.508SS..Hα-helixtrans-61.8-42.1175-71.6-177.7177.51435.3111.6M1 D2 L8 S9 D22 A25 D26M1-R5 PolarHBondContact O-N 3.3Å; D2-R5 PolarHBondContact O-N 2.85Å; R5-L8 PolarHBondContact O-N 3.29Å; R5-S9 VanDerWaalsContact O-CB 3.27Å; R5-S9 WeakPolarHBondContact O-CB 3.5Å; R5-S9 PolarHBondContact O-N 2.88Å; R5-S9 PolarHBondContact O-OG 3.43Å; R5-D22 WeakPolarHBondContact CD-OD1 3.42Å; R5-D22 IonicContact CZ-OD1 3.44Å; R5-D22 IonicContact NE-OD1 2.82Å; R5-D22 PolarHBondContact NE-OD1 3.4Å; R5-D22 IonicContact NH2-OD1 3.74Å; R5-A25 HydrophobicContact CG-CB 3.85Å; R5-D26 IonicContact NH2-OD1 3.94Å
6S83.9Confident81.3Confident78 Ų7886.9 Ų86.955%0.54549%0.492SS..Hα-helixtrans-61.3-46.7176.4-178.80000111.5D2 D3 V4 S9 S10D2-S6 VanDerWaalsContact O-CB 3.31Å; D2-S6 WeakPolarHBondContact O-CB 3.34Å; D2-S6 PolarHBondContact O-N 3.46Å; D3-S6 WeakPolarHBondContact O-CB 3.45Å; D3-S6 PolarHBondContact O-N 3.45Å; V4-S6 VanDerWaalsContact C-N 3.34Å; V4-S6 PolarHBondContact O-N 2.83Å; S6-S9 PolarHBondContact O-N 3.01Å; S6-S10 WeakPolarHBondContact O-CB 3.25Å; S6-S10 PolarHBondContact O-N 3.29Å; S6-S10 PolarHBondContact O-OG 2.87Å
7I84.7Confident81.5Confident101 Ų10185.9 Ų85.952%0.51849%0.49SS..Hα-helixtrans-61.7-50.8176.4-69.1163.2000110.5D3 V4 S9 S10 Q11D3-I7 WeakPolarHBondContact O-CB 3.48Å; D3-I7 WeakPolarHBondContact O-CD1 3.29Å; D3-I7 WeakPolarHBondContact O-CG1 3.27Å; D3-I7 PolarHBondContact O-N 2.85Å; V4-I7 PolarHBondContact O-N 3.05Å; I7-S9 VanDerWaalsContact C-N 3.31Å; I7-S9 PolarHBondContact O-N 3.05Å; I7-S10 PolarHBondContact O-N 2.95Å; I7-S10 VanDerWaalsContact O-N 3.11Å; I7-S10 PolarHBondContact O-OG 3.28Å; I7-Q11 HydrophobicContact CG2-CG 4.3Å; I7-Q11 WeakPolarHBondContact O-CB 3.44Å; I7-Q11 VanDerWaalsContact O-CG 3.28Å; I7-Q11 WeakPolarHBondContact O-CG 3.29Å; I7-Q11 PolarHBondContact O-N 3.37Å
8L82.6Confident81.5Confident33 Ų3385.1 Ų85.117%0.17349%0.49CS..Hα-helixtrans-57.9-45178.7-72.3171.4000111.2V4 R5 S10 Q11 L12 I21 V24 A25 L28V4-L8 HydrophobicContact CG1-CD1 4.01Å; V4-L8 HydrophobicContact CG1-CG 4.43Å; V4-L8 WeakPolarHBondContact O-CB 3.47Å; V4-L8 VanDerWaalsContact O-CG 3.27Å; V4-L8 WeakPolarHBondContact O-CG 3.32Å; V4-L8 PolarHBondContact O-N 3.05Å; R5-L8 PolarHBondContact O-N 3.29Å; L8-S10 VanDerWaalsContact C-N 3.29Å; L8-S10 PolarHBondContact O-N 3.48Å; L8-Q11 PolarHBondContact O-N 3.32Å; L8-L12 HydrophobicContact CB-CD1 4.26Å; L8-L12 VanDerWaalsContact O-CB 3.29Å; L8-L12 WeakPolarHBondContact O-CB 3.47Å; L8-L12 WeakPolarHBondContact O-CD1 3.46Å; L8-L12 VanDerWaalsContact O-CG 3.26Å; L8-L12 WeakPolarHBondContact O-CG 3.16Å; L8-L12 PolarHBondContact O-N 3.33Å; L8-I21 HydrophobicContact CB-CG2 3.81Å; L8-I21 HydrophobicContact CD1-CG2 4.21Å; L8-V24 HydrophobicContact CD1-CB 4.3Å; L8-V24 HydrophobicContact CD1-CG1 3.88Å; L8-V24 HydrophobicContact CD2-CG1 4.16Å; L8-A25 HydrophobicContact CD1-CB 4.3Å; L8-L28 HydrophobicContact CD1-CD1 4.44Å
9S82.3Confident81.6Confident67 Ų6786.8 Ų86.847%0.46949%0.493SS..Hα-helixtrans-64.2-32.8177.8-55.50000112.8R5 S6 I7R5-S9 VanDerWaalsContact O-CB 3.27Å; R5-S9 WeakPolarHBondContact O-CB 3.5Å; R5-S9 PolarHBondContact O-N 2.88Å; R5-S9 PolarHBondContact O-OG 3.43Å; S6-S9 PolarHBondContact O-N 3.01Å; I7-S9 VanDerWaalsContact C-N 3.31Å; I7-S9 PolarHBondContact O-N 3.05Å
10S85.8Confident81.7Confident81 Ų8185.7 Ų85.757%0.56649%0.488SS*.Hα-helixtrans-78.1-24.2178.874.60000114.1S6 I7 L8S6-S10 WeakPolarHBondContact O-CB 3.25Å; S6-S10 PolarHBondContact O-N 3.29Å; S6-S10 PolarHBondContact O-OG 2.87Å; I7-S10 PolarHBondContact O-N 2.95Å; I7-S10 VanDerWaalsContact O-N 3.11Å; I7-S10 PolarHBondContact O-OG 3.28Å; L8-S10 VanDerWaalsContact C-N 3.29Å; L8-S10 PolarHBondContact O-N 3.48Å
11Q85.2Confident81.7Confident153 Ų15382.4 Ų82.472%0.71547%0.469SS*.Hα-helixtrans-102.1-20-174-65.5-65.1-31.200112.8I7 L8I7-Q11 HydrophobicContact CG2-CG 4.3Å; I7-Q11 WeakPolarHBondContact O-CB 3.44Å; I7-Q11 VanDerWaalsContact O-CG 3.28Å; I7-Q11 WeakPolarHBondContact O-CG 3.29Å; I7-Q11 PolarHBondContact O-N 3.37Å; L8-Q11 PolarHBondContact O-N 3.32Å
12L81.5Confident82Confident67 Ų6782.2 Ų82.235%0.35147%0.469SS..SBendtrans-88.9145.8179.4-71.3166.4000111.5L8 V16 I21L8-L12 HydrophobicContact CB-CD1 4.26Å; L8-L12 VanDerWaalsContact O-CB 3.29Å; L8-L12 WeakPolarHBondContact O-CB 3.47Å; L8-L12 WeakPolarHBondContact O-CD1 3.46Å; L8-L12 VanDerWaalsContact O-CG 3.26Å; L8-L12 WeakPolarHBondContact O-CG 3.16Å; L8-L12 PolarHBondContact O-N 3.33Å; L12-V16 HydrophobicContact CB-CB 4.42Å; L12-V16 HydrophobicContact CB-CG2 4.19Å; L12-V16 HydrophobicContact CD1-CG1 4.35Å; L12-I21 HydrophobicContact CD1-CD1 4.45Å; L12-I21 HydrophobicContact CD1-CG1 3.91Å
13P79.6Confident82Confident79 Ų7982.7 Ų82.751%0.51347%0.468SS..  trans-52.5145.2169.2-29.438.5000112.8D15 V16P13-D15 WeakPolarHBondContact CB-OD1 3.45Å; P13-D15 PolarHBondContact O-N 2.96Å; P13-V16 WeakPolarHBondContact O-CG2 3.42Å; P13-V16 PolarHBondContact O-N 3.48Å; P13-V16 VanDerWaalsContact O-N 3.09Å
14S78.7Confident82.1Confident132 Ų13279.3 Ų79.392%0.92345%0.452SS*.THydrogen-bonded Turntrans-66-10.2-174.455.70000115.1
15D82.1Confident82.2Confident131 Ų13178 Ų7870%0.70144%0.443SS*.THydrogen-bonded Turntrans-85.9-5.1175.857.7-48000113.5P13 P17P13-D15 WeakPolarHBondContact CB-OD1 3.45Å; P13-D15 PolarHBondContact O-N 2.96Å; D15-P17 WeakPolarHBondContact O-CD 3.5Å
16V78.1Confident82.1Confident42 Ų4278.1 Ų78.126%0.25545%0.45SS..SBendtrans-76.5120.9174.5-178.60000109.9L12 P13 V20 I21L12-V16 HydrophobicContact CB-CB 4.42Å; L12-V16 HydrophobicContact CB-CG2 4.19Å; L12-V16 HydrophobicContact CD1-CG1 4.35Å; P13-V16 WeakPolarHBondContact O-CG2 3.42Å; P13-V16 PolarHBondContact O-N 3.48Å; P13-V16 VanDerWaalsContact O-N 3.09Å; V16-V20 HydrophobicContact CG1-CB 3.95Å; V16-V20 HydrophobicContact CG1-CG1 4.13Å; V16-I21 HydrophobicContact CG1-CG1 4.27Å
17P84.3Confident81.8Confident70 Ų7079.6 Ų79.646%0.45546%0.456SS..  trans-61.5142.9177.2-2132.3000111.9D15 E19 V20 I21D15-P17 WeakPolarHBondContact O-CD 3.5Å; P17-E19 VanDerWaalsContact CB-OE2 3.23Å; P17-E19 WeakPolarHBondContact CB-OE2 3.49Å; P17-E19 PolarHBondContact O-N 3.35Å; P17-E19 VanDerWaalsContact O-N 3.14Å; P17-V20 HydrophobicContact CB-CG2 4.34Å; P17-V20 HydrophobicContact CG-CG2 4.36Å; P17-V20 WeakPolarHBondContact O-CB 3.26Å; P17-V20 PolarHBondContact O-N 2.9Å; P17-I21 PolarHBondContact O-N 3.12Å
18S81.3Confident81.5Confident71 Ų7177.9 Ų77.950%0.49745%0.447SS..Hα-helixtrans-55.9-31.4177.639.20000112.8V20 I21 D22S18-V20 PolarHBondContact O-N 3.39Å; S18-I21 WeakPolarHBondContact O-CB 3.47Å; S18-I21 PolarHBondContact O-N 2.91Å; S18-I21 VanDerWaalsContact O-N 3.14Å; S18-D22 PolarHBondContact O-N 3.12Å
19E83.4Confident81.3Confident118 Ų11879.5 Ų79.555%0.55145%0.454SS*.Hα-helixtrans-62.5-32177.8-62.476.3-166.400112.4P17 Q23P17-E19 VanDerWaalsContact CB-OE2 3.23Å; P17-E19 WeakPolarHBondContact CB-OE2 3.49Å; P17-E19 PolarHBondContact O-N 3.35Å; P17-E19 VanDerWaalsContact O-N 3.14Å; E19-Q23 VanDerWaalsContact O-CG 3.3Å; E19-Q23 WeakPolarHBondContact O-CG 3.3Å; E19-Q23 PolarHBondContact O-N 2.99Å
20V82.9Confident80.8Confident64 Ų6481.7 Ų81.739%0.38846%0.46SS..Hα-helixtrans-72.9-39.8176.5-179.10000110.1V16 P17 S18 D22 Q23 V24V16-V20 HydrophobicContact CG1-CB 3.95Å; V16-V20 HydrophobicContact CG1-CG1 4.13Å; P17-V20 HydrophobicContact CB-CG2 4.34Å; P17-V20 HydrophobicContact CG-CG2 4.36Å; P17-V20 WeakPolarHBondContact O-CB 3.26Å; P17-V20 PolarHBondContact O-N 2.9Å; S18-V20 PolarHBondContact O-N 3.39Å; V20-D22 VanDerWaalsContact C-N 3.32Å; V20-D22 PolarHBondContact O-N 3.47Å; V20-Q23 PolarHBondContact O-N 3.47Å; V20-V24 HydrophobicContact CG1-CG2 4.48Å; V20-V24 VanDerWaalsContact O-CG2 3.28Å; V20-V24 WeakPolarHBondContact O-CG2 3.48Å; V20-V24 PolarHBondContact O-N 3.06Å
21I83.5Confident80.2Confident17 Ų1781.9 Ų81.99%0.08746%0.458CS..Hα-helixtrans-61.8-44.1176-61.9174.5000110.1L8 L12 V16 P17 S18 V24 A25L8-I21 HydrophobicContact CB-CG2 3.81Å; L8-I21 HydrophobicContact CD1-CG2 4.21Å; L12-I21 HydrophobicContact CD1-CD1 4.45Å; L12-I21 HydrophobicContact CD1-CG1 3.91Å; V16-I21 HydrophobicContact CG1-CG1 4.27Å; P17-I21 PolarHBondContact O-N 3.12Å; S18-I21 WeakPolarHBondContact O-CB 3.47Å; S18-I21 PolarHBondContact O-N 2.91Å; S18-I21 VanDerWaalsContact O-N 3.14Å; I21-V24 PolarHBondContact O-N 3.32Å; I21-A25 VanDerWaalsContact O-CB 3.31Å; I21-A25 WeakPolarHBondContact O-CB 3.42Å; I21-A25 PolarHBondContact O-N 2.9Å
22D82Confident79.7Confident64 Ų6477 Ų7734%0.34244%0.437SS..Hα-helixtrans-63.7-44.8177.2-77.1-30.2000112R5 S18 V20 V24 A25 D26R5-D22 WeakPolarHBondContact CD-OD1 3.42Å; R5-D22 IonicContact CZ-OD1 3.44Å; R5-D22 IonicContact NE-OD1 2.82Å; R5-D22 PolarHBondContact NE-OD1 3.4Å; R5-D22 IonicContact NH2-OD1 3.74Å; S18-D22 PolarHBondContact O-N 3.12Å; V20-D22 VanDerWaalsContact C-N 3.32Å; V20-D22 PolarHBondContact O-N 3.47Å; D22-V24 PolarHBondContact O-N 3.07Å; D22-A25 WeakPolarHBondContact O-CB 3.45Å; D22-A25 PolarHBondContact O-N 3.45Å; D22-D26 WeakPolarHBondContact O-CB 3.19Å; D22-D26 VanDerWaalsContact O-CG 3.26Å; D22-D26 PolarHBondContact O-N 2.97Å
23Q79.8Confident79.4Confident129 Ų12978.5 Ų78.560%0.60344%0.441SS*.Hα-helixtrans-61.9-41.6176-75.6175.71800112.5E19 V20 D26 V27E19-Q23 VanDerWaalsContact O-CG 3.3Å; E19-Q23 WeakPolarHBondContact O-CG 3.3Å; E19-Q23 PolarHBondContact O-N 2.99Å; V20-Q23 PolarHBondContact O-N 3.47Å; Q23-D26 PolarHBondContact O-N 3.05Å; Q23-V27 VanDerWaalsContact O-CG2 3.26Å; Q23-V27 WeakPolarHBondContact O-CG2 3.16Å; Q23-V27 PolarHBondContact O-N 3.42Å
24V80.8Confident78.8Confident57 Ų5778.1 Ų78.135%0.34543%0.433SS..Hα-helixtrans-66-41.2176.2172.60000110.6L8 V20 I21 D22 V27 L28L8-V24 HydrophobicContact CD1-CB 4.3Å; L8-V24 HydrophobicContact CD1-CG1 3.88Å; L8-V24 HydrophobicContact CD2-CG1 4.16Å; V20-V24 HydrophobicContact CG1-CG2 4.48Å; V20-V24 VanDerWaalsContact O-CG2 3.28Å; V20-V24 WeakPolarHBondContact O-CG2 3.48Å; V20-V24 PolarHBondContact O-N 3.06Å; I21-V24 PolarHBondContact O-N 3.32Å; D22-V24 PolarHBondContact O-N 3.07Å; V24-V27 PolarHBondContact O-N 3.09Å; V24-L28 HydrophobicContact CG1-CD1 3.82Å; V24-L28 HydrophobicContact CG1-CG 4.33Å; V24-L28 WeakPolarHBondContact O-CB 3.39Å; V24-L28 VanDerWaalsContact O-CG 3.27Å; V24-L28 WeakPolarHBondContact O-CG 3.49Å; V24-L28 PolarHBondContact O-N 3.2Å
25A82.1Confident78.3Confident0 Ų074.3 Ų74.30%041%0.407CS..Hα-helixtrans-61.1-44.8175.600000111.3M1 R5 L8 I21 D22 V27 L28 E29M1-A25 HydrophobicContact CE-CB 3.83Å; M1-A25 WeakPolarHBondContact CE-O 3.28Å; R5-A25 HydrophobicContact CG-CB 3.85Å; L8-A25 HydrophobicContact CD1-CB 4.3Å; I21-A25 VanDerWaalsContact O-CB 3.31Å; I21-A25 WeakPolarHBondContact O-CB 3.42Å; I21-A25 PolarHBondContact O-N 2.9Å; D22-A25 WeakPolarHBondContact O-CB 3.45Å; D22-A25 PolarHBondContact O-N 3.45Å; A25-V27 VanDerWaalsContact C-N 3.35Å; A25-V27 PolarHBondContact O-N 3.4Å; A25-L28 CarbonylContact O-C 3.6Å; A25-L28 PolarHBondContact O-N 2.93Å; A25-E29 PolarHBondContact O-N 3.45Å
26D79.9Confident77.9Confident86 Ų8673.8 Ų73.846%0.4640%0.398SS..Hα-helixtrans-63.6-39.8177.9-70.5-6.8000111.7R5 D22 Q23 E29R5-D26 IonicContact NH2-OD1 3.94Å; D22-D26 WeakPolarHBondContact O-CB 3.19Å; D22-D26 VanDerWaalsContact O-CG 3.26Å; D22-D26 PolarHBondContact O-N 2.97Å; Q23-D26 PolarHBondContact O-N 3.05Å; D26-E29 PolarHBondContact O-N 3.41Å
27V77.2Confident77.4Confident109 Ų10977.5 Ų77.566%0.66142%0.415SS*.Hα-helixtrans-64.4-41.2174.1170.50000111.2Q23 V24 A25Q23-V27 VanDerWaalsContact O-CG2 3.26Å; Q23-V27 WeakPolarHBondContact O-CG2 3.16Å; Q23-V27 PolarHBondContact O-N 3.42Å; V24-V27 PolarHBondContact O-N 3.09Å; A25-V27 VanDerWaalsContact C-N 3.35Å; A25-V27 PolarHBondContact O-N 3.4Å
28L78.1Confident76.3Confident65 Ų6579.7 Ų79.734%0.3442%0.415SS..Hα-helixtrans-74.6-23.9179.1-72.5172.9000113.1V4 L8 V24 A25 L30 T31 L32V4-L28 HydrophobicContact CG1-CD1 4.31Å; L8-L28 HydrophobicContact CD1-CD1 4.44Å; V24-L28 HydrophobicContact CG1-CD1 3.82Å; V24-L28 HydrophobicContact CG1-CG 4.33Å; V24-L28 WeakPolarHBondContact O-CB 3.39Å; V24-L28 VanDerWaalsContact O-CG 3.27Å; V24-L28 WeakPolarHBondContact O-CG 3.49Å; V24-L28 PolarHBondContact O-N 3.2Å; A25-L28 CarbonylContact O-C 3.6Å; A25-L28 PolarHBondContact O-N 2.93Å; L28-L30 PolarHBondContact O-N 3.3Å; L28-T31 PolarHBondContact O-N 3.26Å; L28-L32 HydrophobicContact CB-CD1 4.14Å; L28-L32 WeakPolarHBondContact O-CB 3.35Å; L28-L32 WeakPolarHBondContact O-CG 3.43Å; L28-L32 PolarHBondContact O-N 2.92Å
29E77.9Confident75.4Confident67 Ų6783.1 Ų83.131%0.31342%0.417SS..Hα-helixtrans-56.5-50.6-174.2-178.9169.8-165.300111.5M1 A25 D26 T31 L32 Q33M1-E29 HydrophobicContact CE-CB 3.76Å; M1-E29 HydrophobicContact CE-CG 4.28Å; M1-E29 HydrophobicContact CG-CG 4.14Å; M1-E29 HydrophobicContact SD-CB 3.85Å; M1-E29 HydrophobicContact SD-CG 3.76Å; A25-E29 PolarHBondContact O-N 3.45Å; D26-E29 PolarHBondContact O-N 3.41Å; E29-T31 VanDerWaalsContact C-N 3.35Å; E29-T31 PolarHBondContact O-N 3.14Å; E29-L32 PolarHBondContact O-N 2.72Å; E29-Q33 HydrophobicContact CG-CG 4.21Å; E29-Q33 VanDerWaalsContact O-CB 3.3Å; E29-Q33 WeakPolarHBondContact O-CB 3.25Å; E29-Q33 VanDerWaalsContact O-CG 3.23Å; E29-Q33 WeakPolarHBondContact O-CG 3.24Å; E29-Q33 PolarHBondContact O-N 2.74Å; E29-Q33 PolarHBondContact OE1-NE2 2.89Å
30L72.4Confident74.5Confident114 Ų11481.8 Ų81.860%0.59741%0.413SS*.Hα-helixtrans-60.6-44.3179.9-104.1158.7000111.7L28 Q34L28-L30 PolarHBondContact O-N 3.3Å; L30-Q34 WeakPolarHBondContact O-CB 3.36Å; L30-Q34 VanDerWaalsContact O-CG 3.3Å; L30-Q34 WeakPolarHBondContact O-CG 3.2Å; L30-Q34 PolarHBondContact O-N 3.5Å
31T73.1Confident73Confident84 Ų8480.5 Ų80.552%0.51541%0.413SS..Hα-helixtrans-66.7-43.4179.2-52.90000111.6L28 E29 Q34 S35L28-T31 PolarHBondContact O-N 3.26Å; E29-T31 VanDerWaalsContact C-N 3.35Å; E29-T31 PolarHBondContact O-N 3.14Å; T31-Q34 PolarHBondContact O-N 3.42Å; T31-S35 WeakPolarHBondContact O-CB 3.25Å; T31-S35 PolarHBondContact O-N 3.33Å; T31-S35 PolarHBondContact O-OG 3Å
32L76.1Confident71.5Confident52 Ų5283 Ų8327%0.27243%0.432SS..Hα-helixtrans-65.3-47177.4-76172.1000110.7V4 L28 E29 Q34 S35 F36V4-L32 HydrophobicContact CB-CD1 4.45Å; V4-L32 HydrophobicContact CG1-CD1 4.12Å; V4-L32 HydrophobicContact CG2-CD1 3.47Å; V4-L32 VanDerWaalsContact CG2-CD1 3.47Å; L28-L32 HydrophobicContact CB-CD1 4.14Å; L28-L32 WeakPolarHBondContact O-CB 3.35Å; L28-L32 WeakPolarHBondContact O-CG 3.43Å; L28-L32 PolarHBondContact O-N 2.92Å; E29-L32 PolarHBondContact O-N 2.72Å; L32-Q34 VanDerWaalsContact C-N 3.32Å; L32-Q34 PolarHBondContact O-N 3.49Å; L32-S35 WeakPolarHBondContact CA-OG 3.37Å; L32-S35 PolarHBondContact O-N 2.82Å; L32-S35 VanDerWaalsContact O-N 3.17Å; L32-S35 PolarHBondContact O-OG 2.92Å; L32-F36 WeakPolarHBondContact O-CB 3.41Å; L32-F36 WeakPolarHBondContact O-CD2 3.26Å; L32-F36 PolarHBondContact O-N 3.15Å
33Q73.4Confident70.2Confident97 Ų9784.9 Ų84.945%0.45344%0.442SS..Hα-helixtrans-55.8-46.3175.5-76.2179.93.400111.4E29 F36 I37E29-Q33 HydrophobicContact CG-CG 4.21Å; E29-Q33 VanDerWaalsContact O-CB 3.3Å; E29-Q33 WeakPolarHBondContact O-CB 3.25Å; E29-Q33 VanDerWaalsContact O-CG 3.23Å; E29-Q33 WeakPolarHBondContact O-CG 3.24Å; E29-Q33 PolarHBondContact O-N 2.74Å; E29-Q33 PolarHBondContact OE1-NE2 2.89Å; Q33-F36 PolarHBondContact O-N 2.89Å; Q33-I37 WeakPolarHBondContact O-CB 3.44Å; Q33-I37 WeakPolarHBondContact O-CD1 3.32Å; Q33-I37 WeakPolarHBondContact O-CG1 3.18Å; Q33-I37 PolarHBondContact O-N 3.45Å
34Q67.7Low68.9Low71 Ų7184.3 Ų84.333%0.33245%0.446SS..Hα-helixtrans-63.2-43.8176.5-73.9-179.2-14.500112.5L30 T31 L32 I37 R38 G115L30-Q34 WeakPolarHBondContact O-CB 3.36Å; L30-Q34 VanDerWaalsContact O-CG 3.3Å; L30-Q34 WeakPolarHBondContact O-CG 3.2Å; L30-Q34 PolarHBondContact O-N 3.5Å; T31-Q34 PolarHBondContact O-N 3.42Å; L32-Q34 VanDerWaalsContact C-N 3.32Å; L32-Q34 PolarHBondContact O-N 3.49Å; Q34-I37 PolarHBondContact O-N 3.44Å; Q34-R38 WeakPolarHBondContact O-CG 3.45Å; Q34-R38 PolarHBondContact O-N 3Å; Q34-G115 PolarHBondContact NE2-O 3.3Å; Q34-G115 PolarHBondContact OE1-O 3.49Å
35S68.9Low67Low53 Ų5383.6 Ų83.637%0.37144%0.444SS..Hα-helixtrans-64.2-40.5177.773.60000112.1T31 L32 R38 Y39T31-S35 WeakPolarHBondContact O-CB 3.25Å; T31-S35 PolarHBondContact O-N 3.33Å; T31-S35 PolarHBondContact O-OG 3Å; L32-S35 WeakPolarHBondContact CA-OG 3.37Å; L32-S35 PolarHBondContact O-N 2.82Å; L32-S35 VanDerWaalsContact O-N 3.17Å; L32-S35 PolarHBondContact O-OG 2.92Å; S35-R38 WeakPolarHBondContact O-CB 3.31Å; S35-R38 PolarHBondContact O-N 3.28Å; S35-Y39 WeakPolarHBondContact O-CB 3.42Å; S35-Y39 PolarHBondContact O-N 3.46Å
36F72.5Confident65.4Low120 Ų12088.1 Ų88.153%0.52647%0.474SS..Hα-helixtrans-66.8-41.6174.9-96-81.1000111.4L32 Q33 R38 Y39 I40L32-F36 WeakPolarHBondContact O-CB 3.41Å; L32-F36 WeakPolarHBondContact O-CD2 3.26Å; L32-F36 PolarHBondContact O-N 3.15Å; Q33-F36 PolarHBondContact O-N 2.89Å; F36-R38 VanDerWaalsContact C-N 3.32Å; F36-R38 PolarHBondContact O-N 3.02Å; F36-Y39 PolarHBondContact O-N 2.93Å; F36-I40 VanDerWaalsContact O-CB 3.28Å; F36-I40 WeakPolarHBondContact O-CB 3.45Å; F36-I40 VanDerWaalsContact O-CG1 3.24Å; F36-I40 WeakPolarHBondContact O-CG1 3.39Å; F36-I40 PolarHBondContact O-N 3.39Å
37I67.8Low63.6Low120 Ų12089.7 Ų89.762%0.61548%0.482SS*.Hα-helixtrans-61.5-42.1174.9-71.6163.8000110.4Q33 Q34 G41Q33-I37 WeakPolarHBondContact O-CB 3.44Å; Q33-I37 WeakPolarHBondContact O-CD1 3.32Å; Q33-I37 WeakPolarHBondContact O-CG1 3.18Å; Q33-I37 PolarHBondContact O-N 3.45Å; Q34-I37 PolarHBondContact O-N 3.44Å; I37-G41 WeakPolarHBondContact O-CA 3.32Å; I37-G41 PolarHBondContact O-N 3.47Å
38R60.8Low61.6Low116 Ų11687.1 Ų87.144%0.43847%0.472SS..Hα-helixtrans-63-46.3173.8-75.5174.4-176.5-131.4-25.7112Q34 S35 F36 G41 S42 E113 F114Q34-R38 WeakPolarHBondContact O-CG 3.45Å; Q34-R38 PolarHBondContact O-N 3Å; S35-R38 WeakPolarHBondContact O-CB 3.31Å; S35-R38 PolarHBondContact O-N 3.28Å; F36-R38 VanDerWaalsContact C-N 3.32Å; F36-R38 PolarHBondContact O-N 3.02Å; R38-G41 CarbonylContact O-C 3.54Å; R38-G41 PolarHBondContact O-N 3.16Å; R38-S42 WeakPolarHBondContact O-CB 3.29Å; R38-S42 PolarHBondContact O-N 2.9Å; R38-E113 PolarHBondContact NH1-O 3.14Å; R38-E113 PolarHBondContact NH2-O 3.48Å; R38-F114 PolarHBondContact NH2-O 3.4Å
39Y64.3Low60Low142 Ų14285.5 Ų85.556%0.55747%0.471SS*.Hα-helixtrans-64.6-48.7-179.2-177.9-108000111.5S35 F36 G41 S42 L43S35-Y39 WeakPolarHBondContact O-CB 3.42Å; S35-Y39 PolarHBondContact O-N 3.46Å; F36-Y39 PolarHBondContact O-N 2.93Å; Y39-G41 VanDerWaalsContact C-N 3.31Å; Y39-G41 PolarHBondContact O-N 3.34Å; Y39-S42 WeakPolarHBondContact O-CB 3.22Å; Y39-S42 PolarHBondContact O-N 2.96Å; Y39-S42 VanDerWaalsContact O-N 3.15Å; Y39-S42 PolarHBondContact O-OG 3.07Å; Y39-L43 HydrophobicContact CD1-CD1 3.76Å; Y39-L43 HydrophobicContact CE1-CD1 3.28Å; Y39-L43 HydrophobicContact CE1-CG 4.25Å; Y39-L43 HydrophobicContact CE2-CD1 4.36Å; Y39-L43 HydrophobicContact CG-CD1 4.47Å; Y39-L43 WeakPolarHBondContact O-CG 3.2Å; Y39-L43 PolarHBondContact O-N 3.31Å
40I62.6Low58.8Low91 Ų9185 Ų8547%0.46748%0.479SS..Hα-helixtrans-60.8-42.4172.9-67.3175.3000110.1F36 S42 L43 V44F36-I40 VanDerWaalsContact O-CB 3.28Å; F36-I40 WeakPolarHBondContact O-CB 3.45Å; F36-I40 VanDerWaalsContact O-CG1 3.24Å; F36-I40 WeakPolarHBondContact O-CG1 3.39Å; F36-I40 PolarHBondContact O-N 3.39Å; I40-S42 VanDerWaalsContact C-N 3.29Å; I40-S42 PolarHBondContact O-N 3.39Å; I40-L43 PolarHBondContact O-N 3.27Å; I40-L43 VanDerWaalsContact O-N 3.13Å; I40-V44 HydrophobicContact CG2-CG2 3.69Å; I40-V44 WeakPolarHBondContact O-CB 3.43Å; I40-V44 VanDerWaalsContact O-CG2 3.24Å; I40-V44 WeakPolarHBondContact O-CG2 3.41Å; I40-V44 PolarHBondContact O-N 3.47Å
41G53.3Low57.8Low37 Ų3784.2 Ų84.238%0.38148%0.475SS..Hα-helixtrans-57.6-41174.300000112.7I37 R38 Y39 S45I37-G41 WeakPolarHBondContact O-CA 3.32Å; I37-G41 PolarHBondContact O-N 3.47Å; R38-G41 CarbonylContact O-C 3.54Å; R38-G41 PolarHBondContact O-N 3.16Å; Y39-G41 VanDerWaalsContact C-N 3.31Å; Y39-G41 PolarHBondContact O-N 3.34Å; G41-S45 PolarHBondContact O-N 3.11Å
42S51.9Low57Low68 Ų6885.7 Ų85.748%0.47648%0.475SS..Hα-helixtrans-68.7-32176.178.70000113.3R38 Y39 I40R38-S42 WeakPolarHBondContact O-CB 3.29Å; R38-S42 PolarHBondContact O-N 2.9Å; Y39-S42 WeakPolarHBondContact O-CB 3.22Å; Y39-S42 PolarHBondContact O-N 2.96Å; Y39-S42 VanDerWaalsContact O-N 3.15Å; Y39-S42 PolarHBondContact O-OG 3.07Å; I40-S42 VanDerWaalsContact C-N 3.29Å; I40-S42 PolarHBondContact O-N 3.39Å
43L54.5Low56.7Low105 Ų10587.1 Ų87.155%0.5548%0.482SS..Hα-helixtrans-81.6-41.7179-73.7172.8000113.1Y39 I40Y39-L43 HydrophobicContact CD1-CD1 3.76Å; Y39-L43 HydrophobicContact CE1-CD1 3.28Å; Y39-L43 HydrophobicContact CE1-CG 4.25Å; Y39-L43 HydrophobicContact CE2-CD1 4.36Å; Y39-L43 HydrophobicContact CG-CD1 4.47Å; Y39-L43 WeakPolarHBondContact O-CG 3.2Å; Y39-L43 PolarHBondContact O-N 3.31Å; I40-L43 PolarHBondContact O-N 3.27Å; I40-L43 VanDerWaalsContact O-N 3.13Å
44V51.4Low56.9Low116 Ų11690.4 Ų90.470%0.70349%0.49SS*.Hα-helixtrans-78.2-26.7-172.61750000111.5I40I40-V44 HydrophobicContact CG2-CG2 3.69Å; I40-V44 WeakPolarHBondContact O-CB 3.43Å; I40-V44 VanDerWaalsContact O-CG2 3.24Å; I40-V44 WeakPolarHBondContact O-CG2 3.41Å; I40-V44 PolarHBondContact O-N 3.47Å
45S41.2Very low57.6Low42 Ų4293.2 Ų93.229%0.29450%0.504SS..  trans-152.193171.7-161.20000111.9G41 N47 A48G41-S45 PolarHBondContact O-N 3.11Å; S45-N47 PolarHBondContact O-N 2.74Å; S45-A48 VanDerWaalsContact CB-CB 3.48Å; S45-A48 PolarHBondContact O-N 3.41Å; S45-A48 WeakPolarHBondContact OG-CB 3.48Å; S45-A48 PolarHBondContact OG-N 3.12Å
46P48Very low58.3Low96 Ų9693.3 Ų93.362%0.62350%0.498SS*.THydrogen-bonded Turntrans-53.1-24.7174.6-24.432.7000112.7
47N42.5Very low59Low118 Ų11891.1 Ų91.163%0.63149%0.488SS*.THydrogen-bonded Turntrans-105.8-27-178-69.7-17.6000114.9S45 N51S45-N47 PolarHBondContact O-N 2.74Å; N47-N51 WeakPolarHBondContact O-CB 3.23Å; N47-N51 PolarHBondContact O-N 3.43Å; N47-N51 PolarHBondContact O-ND2 2.98Å; N47-N51 VanDerWaalsContact O-ND2 3.13Å
48A36.2Very low60Low55 Ų5589 Ų8946%0.45548%0.477SS..Hα-helixtrans-76.1-38.4-178.400000112.6S45 N51 F52S45-A48 VanDerWaalsContact CB-CB 3.48Å; S45-A48 PolarHBondContact O-N 3.41Å; S45-A48 WeakPolarHBondContact OG-CB 3.48Å; S45-A48 PolarHBondContact OG-N 3.12Å; A48-N51 PolarHBondContact O-N 3.33Å; A48-F52 WeakPolarHBondContact O-CB 3.4Å; A48-F52 PolarHBondContact O-N 3.13Å
49G43.7Very low61.4Low32 Ų3289.1 Ų89.133%0.3348%0.483SS..Hα-helixtrans-63.1-49.4172.800000111.3N51 F52 D53G49-N51 VanDerWaalsContact C-N 3.32Å; G49-N51 PolarHBondContact O-N 2.81Å; G49-F52 PolarHBondContact O-N 3.23Å; G49-D53 WeakPolarHBondContact O-CB 3.42Å; G49-D53 PolarHBondContact O-N 3.29Å
50A52Low62.6Low57 Ų5782.5 Ų82.547%0.47146%0.457SS..Hα-helixtrans-60.1-38.4176.700000113.1R54A50-R54 WeakPolarHBondContact O-CB 3.46Å; A50-R54 PolarHBondContact O-N 3.43Å
51N52.8Low64.1Low96 Ų9680.1 Ų80.151%0.51344%0.444SS..Hα-helixtrans-70.2-40.9176.9-77.5-22.7000112.5N47 A48 G49 R54 Q55N47-N51 WeakPolarHBondContact O-CB 3.23Å; N47-N51 PolarHBondContact O-N 3.43Å; N47-N51 PolarHBondContact O-ND2 2.98Å; N47-N51 VanDerWaalsContact O-ND2 3.13Å; A48-N51 PolarHBondContact O-N 3.33Å; G49-N51 VanDerWaalsContact C-N 3.32Å; G49-N51 PolarHBondContact O-N 2.81Å; N51-R54 PolarHBondContact O-N 3.14Å; N51-Q55 WeakPolarHBondContact O-CB 3.46Å; N51-Q55 PolarHBondContact O-N 2.94Å
52F55.5Low66Low116 Ų11684.9 Ų84.951%0.50946%0.456SS..Hα-helixtrans-66.7-44.5178-172.9-115.6000111.3A48 G49 R54 Q55 K56 Y112A48-F52 WeakPolarHBondContact O-CB 3.4Å; A48-F52 PolarHBondContact O-N 3.13Å; G49-F52 PolarHBondContact O-N 3.23Å; F52-R54 VanDerWaalsContact C-N 3.32Å; F52-R54 PolarHBondContact O-N 3.17Å; F52-Q55 PolarHBondContact O-N 3.25Å; F52-K56 WeakPolarHBondContact O-CB 3.43Å; F52-K56 PolarHBondContact O-N 3.42Å; F52-Y112 WeakPolarHBondContact CD1-OH 3.28Å; F52-Y112 AromaticContact CE1-CE2 3.94Å; F52-Y112 HydrophobicContact CE1-CE2 3.94Å; F52-Y112 AromaticContact CE1-CZ 3.65Å; F52-Y112 WeakPolarHBondContact CE1-OH 3.3Å
53D69.8Low68Low81 Ų8183.9 Ų83.943%0.43345%0.447SS..Hα-helixtrans-64.5-38.6175.7-68.7-24000111.1G49 K56 K57 Y112G49-D53 WeakPolarHBondContact O-CB 3.42Å; G49-D53 PolarHBondContact O-N 3.29Å; D53-K56 PolarHBondContact O-N 2.9Å; D53-K57 WeakPolarHBondContact O-CB 3.26Å; D53-K57 PolarHBondContact O-N 3.25Å; D53-Y112 WeakPolarHBondContact OD1-CE1 3.35Å; D53-Y112 PolarHBondContact OD1-OH 3.17Å; D53-Y112 VanDerWaalsContact OD1-OH 3.09Å
54R77.5Confident69.9Low166 Ų16678.9 Ų78.963%0.62642%0.421SS*.Hα-helixtrans-62.6-46.2172.8-177179.1180179.41.1112.2A50 N51 F52 K57 L58A50-R54 WeakPolarHBondContact O-CB 3.46Å; A50-R54 PolarHBondContact O-N 3.43Å; N51-R54 PolarHBondContact O-N 3.14Å; F52-R54 VanDerWaalsContact C-N 3.32Å; F52-R54 PolarHBondContact O-N 3.17Å; R54-K57 PolarHBondContact O-N 2.97Å; R54-L58 HydrophobicContact CG-CD1 4.22Å; R54-L58 WeakPolarHBondContact O-CB 3.33Å; R54-L58 VanDerWaalsContact O-CG 3.31Å; R54-L58 WeakPolarHBondContact O-CG 3.18Å; R54-L58 PolarHBondContact O-N 3.03Å
55Q81.7Confident71.9Confident131 Ų13175 Ų7561%0.61240%0.397SS*.Hα-helixtrans-63-44.3179.4-176.4177.6-4.400110.9N51 F52 L58 Q59N51-Q55 WeakPolarHBondContact O-CB 3.46Å; N51-Q55 PolarHBondContact O-N 2.94Å; F52-Q55 PolarHBondContact O-N 3.25Å; Q55-L58 PolarHBondContact O-N 3.18Å; Q55-Q59 WeakPolarHBondContact O-CB 3.4Å; Q55-Q59 PolarHBondContact O-N 2.66Å
56K84.2Confident74.4Confident55 Ų5575.1 Ų75.124%0.23940%0.397CS..Hα-helixtrans-66.4-37.6177.2-174.9161.8174.2159.40112.4F52 D53 Q59 T60 Y112F52-K56 WeakPolarHBondContact O-CB 3.43Å; F52-K56 PolarHBondContact O-N 3.42Å; D53-K56 PolarHBondContact O-N 2.9Å; K56-Q59 PolarHBondContact O-N 2.98Å; K56-T60 WeakPolarHBondContact O-CB 3.43Å; K56-T60 PolarHBondContact O-N 3.32Å; K56-T60 PolarHBondContact O-OG1 3.44Å; K56-Y112 HydrophobicContact CD-CD1 3.42Å; K56-Y112 VanDerWaalsContact CD-CD1 3.42Å; K56-Y112 HydrophobicContact CD-CD2 4.1Å; K56-Y112 HydrophobicContact CD-CE1 3.48Å; K56-Y112 VanDerWaalsContact CD-CE1 3.48Å; K56-Y112 HydrophobicContact CD-CE2 4.07Å; K56-Y112 HydrophobicContact CD-CG 3.78Å; K56-Y112 HydrophobicContact CG-CD1 4.49Å
57K86.6Confident76.6Confident74 Ų7472.6 Ų72.632%0.32238%0.378SS..Hα-helixtrans-61-47.1172.4-175171.3179.5163.10111.3D53 R54 T60 Q61 L209 G210 L211D53-K57 WeakPolarHBondContact O-CB 3.26Å; D53-K57 PolarHBondContact O-N 3.25Å; R54-K57 PolarHBondContact O-N 2.97Å; K57-T60 PolarHBondContact O-N 3.25Å; K57-Q61 VanDerWaalsContact O-CB 3.31Å; K57-Q61 WeakPolarHBondContact O-CB 3.4Å; K57-Q61 PolarHBondContact O-N 2.88Å; K57-L209 PolarHBondContact NZ-O 3.06Å; K57-G210 WeakPolarHBondContact CE-O 3.25Å; K57-G210 PolarHBondContact NZ-O 3.35Å; K57-L211 HydrophobicContact CD-CD2 4.45Å; K57-L211 HydrophobicContact CG-CD2 3.68Å
58L89Confident79.1Confident76 Ų7667 Ų6740%0.39835%0.348SS..Hα-helixtrans-61.6-45.9176.3-72.3173000112.1R54 Q55 T60 Q61 E62R54-L58 HydrophobicContact CG-CD1 4.22Å; R54-L58 WeakPolarHBondContact O-CB 3.33Å; R54-L58 VanDerWaalsContact O-CG 3.31Å; R54-L58 WeakPolarHBondContact O-CG 3.18Å; R54-L58 PolarHBondContact O-N 3.03Å; Q55-L58 PolarHBondContact O-N 3.18Å; L58-T60 VanDerWaalsContact C-N 3.34Å; L58-T60 PolarHBondContact O-N 3.12Å; L58-Q61 WeakPolarHBondContact O-CB 3.26Å; L58-Q61 PolarHBondContact O-N 2.8Å; L58-E62 WeakPolarHBondContact O-CG 3.49Å; L58-E62 PolarHBondContact O-N 3.29Å
59Q90.8Very high81.9Confident117 Ų11765.3 Ų65.355%0.54733%0.331SS..Hα-helixtrans-61-44.3176.5-174.3-178.48.600111.5Q55 K56 Q61 E62 V63Q55-Q59 WeakPolarHBondContact O-CB 3.4Å; Q55-Q59 PolarHBondContact O-N 2.66Å; K56-Q59 PolarHBondContact O-N 2.98Å; Q59-Q61 VanDerWaalsContact C-N 3.33Å; Q59-Q61 PolarHBondContact O-N 2.82Å; Q59-E62 PolarHBondContact O-N 2.87Å; Q59-V63 WeakPolarHBondContact O-CB 3.33Å; Q59-V63 VanDerWaalsContact O-CG2 3.27Å; Q59-V63 WeakPolarHBondContact O-CG2 3.17Å; Q59-V63 PolarHBondContact O-N 2.97Å
60T90.4Very high84.4Confident4 Ų464.3 Ų64.33%0.02532%0.319CS..Hα-helixtrans-61.8-44176.4-56.10000110.5K56 K57 L58 V63 V64 H109 L211K56-T60 WeakPolarHBondContact O-CB 3.43Å; K56-T60 PolarHBondContact O-N 3.32Å; K56-T60 PolarHBondContact O-OG1 3.44Å; K57-T60 PolarHBondContact O-N 3.25Å; L58-T60 VanDerWaalsContact C-N 3.34Å; L58-T60 PolarHBondContact O-N 3.12Å; T60-V63 PolarHBondContact O-N 3.23Å; T60-V64 HydrophobicContact CG2-CG2 4.06Å; T60-V64 WeakPolarHBondContact O-CB 3.24Å; T60-V64 VanDerWaalsContact O-CG2 3.23Å; T60-V64 WeakPolarHBondContact O-CG2 3.43Å; T60-V64 PolarHBondContact O-N 3.34Å; T60-H109 HydrophobicContact CG2-CB 3.74Å; T60-H109 PolarHBondContact OG1-ND1 2.9Å; T60-L211 HydrophobicContact CG2-CD1 4.21Å
61Q93Very high86.4Confident40 Ų4061.6 Ų61.619%0.18730%0.296CS..Hα-helixtrans-59.5-47.9177.6-175.5-177-65.200111.9K57 L58 Q59 N65 L211 T212 I213K57-Q61 VanDerWaalsContact O-CB 3.31Å; K57-Q61 WeakPolarHBondContact O-CB 3.4Å; K57-Q61 PolarHBondContact O-N 2.88Å; L58-Q61 WeakPolarHBondContact O-CB 3.26Å; L58-Q61 PolarHBondContact O-N 2.8Å; Q59-Q61 VanDerWaalsContact C-N 3.33Å; Q59-Q61 PolarHBondContact O-N 2.82Å; Q61-N65 WeakPolarHBondContact O-CB 3.3Å; Q61-N65 PolarHBondContact O-N 3.36Å; Q61-L211 HydrophobicContact CB-CD2 4.43Å; Q61-T212 WeakPolarHBondContact CG-O 3.18Å; Q61-T212 PolarHBondContact NE2-O 3.36Å; Q61-I213 HydrophobicContact CG-CD1 4.07Å
62E92.7Very high88.4Confident137 Ų13758.8 Ų58.864%0.6428%0.28SS*.Hα-helixtrans-61.4-46.3178.3-73.4175.2178.800111.9L58 Q59 S66L58-E62 WeakPolarHBondContact O-CG 3.49Å; L58-E62 PolarHBondContact O-N 3.29Å; Q59-E62 PolarHBondContact O-N 2.87Å; E62-S66 VanDerWaalsContact O-CB 3.3Å; E62-S66 WeakPolarHBondContact O-CB 3.31Å; E62-S66 PolarHBondContact O-N 3.33Å
63V93.9Very high90.3Very high47 Ų4753.4 Ų53.429%0.28526%0.257SS..Hα-helixtrans-64.6-51.1179.7173.40000110.9Q59 T60 N65 S66 M67 Q105Q59-V63 WeakPolarHBondContact O-CB 3.33Å; Q59-V63 VanDerWaalsContact O-CG2 3.27Å; Q59-V63 WeakPolarHBondContact O-CG2 3.17Å; Q59-V63 PolarHBondContact O-N 2.97Å; T60-V63 PolarHBondContact O-N 3.23Å; V63-N65 VanDerWaalsContact C-N 3.33Å; V63-N65 PolarHBondContact O-N 3.33Å; V63-S66 PolarHBondContact O-N 3.4Å; V63-M67 HydrophobicContact CG1-CE 3.57Å; V63-M67 HydrophobicContact CG1-CG 4.37Å; V63-M67 HydrophobicContact CG1-SD 3.87Å; V63-M67 WeakPolarHBondContact O-CB 3.34Å; V63-M67 VanDerWaalsContact O-CG 3.29Å; V63-M67 WeakPolarHBondContact O-CG 3.41Å; V63-M67 PolarHBondContact O-N 3.19Å; V63-Q105 HydrophobicContact CG1-CG 3.98Å
64V94.1Very high91.6Very high0 Ų049.8 Ų49.80%024%0.237CC..Hα-helixtrans-62-42.9179.7171.90000110.5T60 S66 M67 V68 I102 Q105 L106 I213T60-V64 HydrophobicContact CG2-CG2 4.06Å; T60-V64 WeakPolarHBondContact O-CB 3.24Å; T60-V64 VanDerWaalsContact O-CG2 3.23Å; T60-V64 WeakPolarHBondContact O-CG2 3.43Å; T60-V64 PolarHBondContact O-N 3.34Å; V64-S66 PolarHBondContact O-N 2.8Å; V64-M67 PolarHBondContact O-N 3.05Å; V64-V68 HydrophobicContact CG1-CG2 4.12Å; V64-V68 WeakPolarHBondContact O-CB 3.48Å; V64-V68 VanDerWaalsContact O-CG2 3.26Å; V64-V68 WeakPolarHBondContact O-CG2 3.46Å; V64-V68 PolarHBondContact O-N 2.91Å; V64-I102 HydrophobicContact CG1-CG2 4.25Å; V64-Q105 HydrophobicContact CG2-CB 4.3Å; V64-Q105 HydrophobicContact CG2-CG 3.83Å; V64-L106 HydrophobicContact CG1-CD2 4.23Å; V64-L106 HydrophobicContact CG2-CD2 3.86Å; V64-L106 HydrophobicContact CG2-CG 4.23Å; V64-I213 HydrophobicContact CB-CD1 3.92Å; V64-I213 HydrophobicContact CG1-CD1 3.69Å; V64-I213 HydrophobicContact CG1-CG1 4.3Å
65N93.3Very high92.4Very high35 Ų3542.9 Ų42.919%0.18721%0.212CC..Hα-helixtrans-61.6-43.6177.7-167.759.7000111.9Q61 V63 L69 I213 S214 V215Q61-N65 WeakPolarHBondContact O-CB 3.3Å; Q61-N65 PolarHBondContact O-N 3.36Å; V63-N65 VanDerWaalsContact C-N 3.33Å; V63-N65 PolarHBondContact O-N 3.33Å; N65-L69 VanDerWaalsContact O-CB 3.3Å; N65-L69 WeakPolarHBondContact O-CB 3.29Å; N65-L69 PolarHBondContact O-N 2.96Å; N65-I213 HydrophobicContact CB-CD1 4.25Å; N65-I213 HydrophobicContact CB-CG2 4.44Å; N65-S214 PolarHBondContact ND2-OG 3.35Å; N65-S214 PolarHBondContact OD1-N 3.06Å; N65-S214 PolarHBondContact OD1-OG 2.91Å; N65-V215 PolarHBondContact OD1-N 3.38Å
66S93.9Very high93Very high44 Ų4442.1 Ų42.131%0.30820%0.204SC..Hα-helixtrans-63.5-41.2175.6-175.50000112.5E62 V63 V64 S70 K233E62-S66 VanDerWaalsContact O-CB 3.3Å; E62-S66 WeakPolarHBondContact O-CB 3.31Å; E62-S66 PolarHBondContact O-N 3.33Å; V63-S66 PolarHBondContact O-N 3.4Å; V64-S66 PolarHBondContact O-N 2.8Å; S66-S70 PolarHBondContact O-N 3.35Å; S66-S70 PolarHBondContact O-OG 3.28Å; S66-K233 PolarHBondContact OG-NZ 3.23Å
67M95.5Very high93.5Very high44 Ų4439.5 Ų39.522%0.21719%0.192CC..Hα-helixtrans-67.7-46.1177.5-71.1176170.300112.1V63 V64 L69 S70 L71 I102 Q105V63-M67 HydrophobicContact CG1-CE 3.57Å; V63-M67 HydrophobicContact CG1-CG 4.37Å; V63-M67 HydrophobicContact CG1-SD 3.87Å; V63-M67 WeakPolarHBondContact O-CB 3.34Å; V63-M67 VanDerWaalsContact O-CG 3.29Å; V63-M67 WeakPolarHBondContact O-CG 3.41Å; V63-M67 PolarHBondContact O-N 3.19Å; V64-M67 PolarHBondContact O-N 3.05Å; M67-L69 VanDerWaalsContact C-N 3.35Å; M67-L69 PolarHBondContact O-N 3.13Å; M67-S70 WeakPolarHBondContact O-CB 3.41Å; M67-S70 PolarHBondContact O-N 3.39Å; M67-L71 WeakPolarHBondContact O-CB 3.09Å; M67-L71 PolarHBondContact O-N 3.49Å; M67-I102 HydrophobicContact CB-CD1 4.17Å; M67-I102 HydrophobicContact CB-CG1 3.58Å; M67-I102 HydrophobicContact SD-CG1 4.29Å; M67-Q105 HydrophobicContact SD-CB 4.38Å
68V94.6Very high94Very high1 Ų136 Ų361%0.00618%0.177CC..Hα-helixtrans-64-41.4177.5177.40000110.6V64 S70 L71 Q72 I102 Y198 V215 F216V64-V68 HydrophobicContact CG1-CG2 4.12Å; V64-V68 WeakPolarHBondContact O-CB 3.48Å; V64-V68 VanDerWaalsContact O-CG2 3.26Å; V64-V68 WeakPolarHBondContact O-CG2 3.46Å; V64-V68 PolarHBondContact O-N 2.91Å; V68-S70 VanDerWaalsContact C-N 3.33Å; V68-S70 PolarHBondContact O-N 3.36Å; V68-L71 WeakPolarHBondContact O-CB 3.37Å; V68-L71 PolarHBondContact O-N 2.88Å; V68-Q72 WeakPolarHBondContact O-CG 3.41Å; V68-Q72 PolarHBondContact O-N 3.36Å; V68-I102 HydrophobicContact CG2-CD1 3.9Å; V68-I102 HydrophobicContact CG2-CG1 4.43Å; V68-I102 HydrophobicContact CG2-CG2 4.13Å; V68-Y198 HydrophobicContact CG1-CE1 4.34Å; V68-V215 HydrophobicContact CB-CG2 3.81Å; V68-V215 HydrophobicContact CG1-CG2 3.42Å; V68-V215 VanDerWaalsContact CG1-CG2 3.42Å; V68-F216 HydrophobicContact CG1-CE1 3.9Å; V68-F216 HydrophobicContact CG1-CE2 4.16Å; V68-F216 HydrophobicContact CG1-CZ 3.57Å; V68-F216 HydrophobicContact CG2-CE2 4.28Å; V68-F216 HydrophobicContact CG2-CZ 4.15Å
69L94.5Very high94.2Very high19 Ų1934.9 Ų34.910%0.09918%0.176CC..Hα-helixtrans-58.7-46.2174-175.457.8000111.2N65 M67 L71 Q72 L73 V215 E230 K233N65-L69 VanDerWaalsContact O-CB 3.3Å; N65-L69 WeakPolarHBondContact O-CB 3.29Å; N65-L69 PolarHBondContact O-N 2.96Å; M67-L69 VanDerWaalsContact C-N 3.35Å; M67-L69 PolarHBondContact O-N 3.13Å; L69-L71 VanDerWaalsContact C-N 3.32Å; L69-L71 PolarHBondContact O-N 3.48Å; L69-Q72 PolarHBondContact O-N 2.67Å; L69-L73 HydrophobicContact CD1-CD1 4.36Å; L69-L73 HydrophobicContact CD1-CG 4.31Å; L69-L73 HydrophobicContact CG-CD1 4.18Å; L69-L73 VanDerWaalsContact O-CG 3.26Å; L69-L73 WeakPolarHBondContact O-CG 3.5Å; L69-L73 PolarHBondContact O-N 3.48Å; L69-V215 HydrophobicContact CB-CG1 3.86Å; L69-V215 HydrophobicContact CD1-CG1 3.85Å; L69-V215 HydrophobicContact CG-CG1 4.34Å; L69-E230 HydrophobicContact CD1-CG 3.96Å; L69-K233 HydrophobicContact CD2-CB 3.79Å; L69-K233 HydrophobicContact CD2-CG 3.92Å; L69-K233 HydrophobicContact CG-CB 4.25Å; L69-K233 HydrophobicContact CG-CG 4.03Å
70S96.1Very high94.2Very high10 Ų1032.1 Ų32.17%0.0717%0.17CC..Hα-helixtrans-58.1-45.9176.4-52.90000111.5S66 M67 V68 Q72 L73 L74 K233S66-S70 PolarHBondContact O-N 3.35Å; S66-S70 PolarHBondContact O-OG 3.28Å; M67-S70 WeakPolarHBondContact O-CB 3.41Å; M67-S70 PolarHBondContact O-N 3.39Å; V68-S70 VanDerWaalsContact C-N 3.33Å; V68-S70 PolarHBondContact O-N 3.36Å; S70-Q72 PolarHBondContact O-N 2.98Å; S70-L73 PolarHBondContact O-N 2.87Å; S70-L74 WeakPolarHBondContact O-CB 3Å; S70-L74 WeakPolarHBondContact O-CD1 3.31Å; S70-L74 VanDerWaalsContact O-CG 3.25Å; S70-L74 WeakPolarHBondContact O-CG 3.43Å; S70-L74 PolarHBondContact O-N 3.19Å; S70-K233 WeakPolarHBondContact OG-CE 3.29Å
71L95.5Very high94.3Very high0 Ų032 Ų320%017%0.169CC..Hα-helixtrans-59-47.1179.5-178.264.8000111.5M67 V68 L69 L74 E75 L94 I102 L194 F197 Y198M67-L71 WeakPolarHBondContact O-CB 3.09Å; M67-L71 PolarHBondContact O-N 3.49Å; V68-L71 WeakPolarHBondContact O-CB 3.37Å; V68-L71 PolarHBondContact O-N 2.88Å; L69-L71 VanDerWaalsContact C-N 3.32Å; L69-L71 PolarHBondContact O-N 3.48Å; L71-L74 PolarHBondContact O-N 3.14Å; L71-E75 WeakPolarHBondContact O-CB 3.2Å; L71-E75 PolarHBondContact O-N 3.29Å; L71-L94 HydrophobicContact CD1-CD1 3.66Å; L71-L94 HydrophobicContact CD1-CD2 3.92Å; L71-L94 HydrophobicContact CD1-CG 3.48Å; L71-L94 VanDerWaalsContact CD1-CG 3.48Å; L71-I102 HydrophobicContact CB-CD1 4.27Å; L71-I102 HydrophobicContact CD2-CD1 3.7Å; L71-L194 HydrophobicContact CD1-CD1 3.81Å; L71-L194 HydrophobicContact CG-CD1 4.15Å; L71-F197 HydrophobicContact CD2-CD1 4.09Å; L71-F197 HydrophobicContact CD2-CE1 3.74Å; L71-Y198 HydrophobicContact CD2-CE1 3.7Å; L71-Y198 HydrophobicContact CG-CE1 4.12Å; L71-Y198 WeakPolarHBondContact CG-OH 3.44Å
72Q94.4Very high94.3Very high37 Ų3735.4 Ų35.417%0.17319%0.188CC..Hα-helixtrans-63.8-40.7178-72.4177.2-18.400112.6V68 L69 S70 R76 Y198V68-Q72 WeakPolarHBondContact O-CG 3.41Å; V68-Q72 PolarHBondContact O-N 3.36Å; L69-Q72 PolarHBondContact O-N 2.67Å; S70-Q72 PolarHBondContact O-N 2.98Å; Q72-R76 WeakPolarHBondContact O-CB 3.45Å; Q72-R76 PolarHBondContact O-N 3.37Å; Q72-Y198 WeakPolarHBondContact CA-OH 3.4Å; Q72-Y198 HydrophobicContact CG-CE1 3.84Å; Q72-Y198 HydrophobicContact CG-CE2 4.28Å; Q72-Y198 WeakPolarHBondContact CG-OH 3.18Å; Q72-Y198 PolarHBondContact N-OH 3.02Å
73L95.3Very high94.2Very high4 Ų431.9 Ų31.92%0.02117%0.172CC..Hα-helixtrans-67.5-39.8178.4-67.5179.8000112.1L69 S70 R76 G77 E230 K233 A234 W280 P281L69-L73 HydrophobicContact CD1-CD1 4.36Å; L69-L73 HydrophobicContact CD1-CG 4.31Å; L69-L73 HydrophobicContact CG-CD1 4.18Å; L69-L73 VanDerWaalsContact O-CG 3.26Å; L69-L73 WeakPolarHBondContact O-CG 3.5Å; L69-L73 PolarHBondContact O-N 3.48Å; S70-L73 PolarHBondContact O-N 2.87Å; L73-R76 PolarHBondContact O-N 3.39Å; L73-G77 PolarHBondContact O-N 3.46Å; L73-G77 VanDerWaalsContact O-N 3.09Å; L73-E230 WeakPolarHBondContact CD1-O 3.41Å; L73-E230 HydrophobicContact CD2-CB 4.05Å; L73-E230 HydrophobicContact CD2-CG 4.02Å; L73-K233 HydrophobicContact CD1-CB 3.75Å; L73-K233 HydrophobicContact CD1-CG 3.84Å; L73-A234 HydrophobicContact CD1-CB 4.35Å; L73-W280 HydrophobicContact CD2-CE3 3.68Å; L73-W280 HydrophobicContact CD2-CH2 4.49Å; L73-W280 HydrophobicContact CD2-CZ3 3.49Å; L73-W280 VanDerWaalsContact CD2-CZ3 3.49Å; L73-P281 HydrophobicContact CB-CG 3.85Å
74L96.7Very high94.1Very high4 Ų434.6 Ų34.62%0.02118%0.184CC..Hα-helixtrans-67.1-42.8175.5-72.1166.8000111.9S70 L71 R76 G77 I78 L94 Y98 L237 P281 T283S70-L74 WeakPolarHBondContact O-CB 3Å; S70-L74 WeakPolarHBondContact O-CD1 3.31Å; S70-L74 VanDerWaalsContact O-CG 3.25Å; S70-L74 WeakPolarHBondContact O-CG 3.43Å; S70-L74 PolarHBondContact O-N 3.19Å; L71-L74 PolarHBondContact O-N 3.14Å; L74-R76 VanDerWaalsContact C-N 3.31Å; L74-R76 PolarHBondContact O-N 3.01Å; L74-G77 PolarHBondContact O-N 3.29Å; L74-I78 WeakPolarHBondContact O-CG1 3.35Å; L74-I78 PolarHBondContact O-N 3.46Å; L74-L94 HydrophobicContact CB-CD1 3.54Å; L74-L94 HydrophobicContact CB-CD2 4.04Å; L74-L94 HydrophobicContact CB-CG 4.47Å; L74-L94 HydrophobicContact CD1-CD1 3.67Å; L74-L94 HydrophobicContact CG-CD1 4.23Å; L74-Y98 HydrophobicContact CD1-CD1 3.62Å; L74-Y98 HydrophobicContact CD1-CD2 4.27Å; L74-Y98 HydrophobicContact CD1-CE1 3.42Å; L74-Y98 VanDerWaalsContact CD1-CE1 3.42Å; L74-Y98 HydrophobicContact CD1-CE2 4.11Å; L74-Y98 HydrophobicContact CD1-CG 4.04Å; L74-L237 HydrophobicContact CG-CD1 4.5Å; L74-P281 WeakPolarHBondContact CA-O 3.27Å; L74-P281 HydrophobicContact CD2-CB 3.88Å; L74-P281 HydrophobicContact CD2-CG 4.24Å; L74-T283 HydrophobicContact CB-CG2 4.48Å; L74-T283 HydrophobicContact CD1-CG2 4.13Å; L74-T283 HydrophobicContact CD2-CG2 3.98Å; L74-T283 HydrophobicContact CG-CG2 4.44Å
75E95.2Very high94Very high22 Ų2239.3 Ų39.310%0.10321%0.213CC..Hα-helixtrans-58.6-44.4174.3-177.5-168.3-163.900110.9L71 G77 I78 S79 L91 L94 S193 L194 Y198L71-E75 WeakPolarHBondContact O-CB 3.2Å; L71-E75 PolarHBondContact O-N 3.29Å; E75-G77 VanDerWaalsContact C-N 3.34Å; E75-G77 PolarHBondContact O-N 2.79Å; E75-I78 PolarHBondContact O-N 3.35Å; E75-S79 VanDerWaalsContact O-CB 3.3Å; E75-S79 WeakPolarHBondContact O-CB 3.3Å; E75-S79 PolarHBondContact O-N 3.24Å; E75-S79 PolarHBondContact O-OG 3.25Å; E75-L91 HydrophobicContact CG-CD2 3.94Å; E75-L94 HydrophobicContact CB-CD2 3.81Å; E75-S193 WeakPolarHBondContact OE1-CA 3.37Å; E75-L194 HydrophobicContact CB-CD1 4.38Å; E75-L194 HydrophobicContact CG-CD1 4.38Å; E75-L194 HydrophobicContact CG-CG 4.25Å; E75-L194 PolarHBondContact OE1-N 3.1Å; E75-Y198 VanDerWaalsContact OE2-CE2 3.22Å; E75-Y198 WeakPolarHBondContact OE2-CE2 3.22Å; E75-Y198 PolarHBondContact OE2-OH 3.2Å; E75-Y198 VanDerWaalsContact OE2-OH 3.1Å
76R94.1Very high94Very high114 Ų11437.7 Ų37.743%0.4321%0.205SC..Hα-helixtrans-61.3-40.6177.2-177.9177.4172173.6-1112.3Q72 L73 L74 S80 E230 W280Q72-R76 WeakPolarHBondContact O-CB 3.45Å; Q72-R76 PolarHBondContact O-N 3.37Å; L73-R76 PolarHBondContact O-N 3.39Å; L74-R76 VanDerWaalsContact C-N 3.31Å; L74-R76 PolarHBondContact O-N 3.01Å; R76-S80 PolarHBondContact O-N 3.05Å; R76-S80 PolarHBondContact O-OG 3.01Å; R76-E230 IonicContact NH1-OE2 3.84Å; R76-W280 HydrophobicContact CG-CD2 4.43Å; R76-W280 HydrophobicContact CG-CG 4.06Å; R76-W280 VanDerWaalsContact CZ-NE1 3.26Å; R76-W280 VanDerWaalsContact NH2-CE2 3.28Å; R76-W280 VanDerWaalsContact NH2-NE1 3.16Å
77G94.7Very high94.1Very high0 Ų038 Ų380%020%0.199CC..Hα-helixtrans-64.6-45.2174.200000112.7L73 L74 E75 S80 N278 P281L73-G77 PolarHBondContact O-N 3.46Å; L73-G77 VanDerWaalsContact O-N 3.09Å; L74-G77 PolarHBondContact O-N 3.29Å; E75-G77 VanDerWaalsContact C-N 3.34Å; E75-G77 PolarHBondContact O-N 2.79Å; G77-S80 WeakPolarHBondContact O-CB 3.19Å; G77-S80 PolarHBondContact O-N 3.49Å; G77-N278 PolarHBondContact O-ND2 3.31Å; G77-P281 WeakPolarHBondContact CA-O 3.38Å
78I95.8Very high93.9Very high0 Ų037.3 Ų37.30%020%0.196CC..Hα-helixtrans-65.5-38.5177.3-71.1165000111.4L74 E75 S80 I81 R87 L90 L91 L94 V282 T283L74-I78 WeakPolarHBondContact O-CG1 3.35Å; L74-I78 PolarHBondContact O-N 3.46Å; E75-I78 PolarHBondContact O-N 3.35Å; I78-S80 PolarHBondContact O-N 3.13Å; I78-S80 VanDerWaalsContact O-N 3.16Å; I78-I81 VanDerWaalsContact O-CB 3.29Å; I78-I81 WeakPolarHBondContact O-CB 3.34Å; I78-I81 PolarHBondContact O-N 3.36Å; I78-R87 HydrophobicContact CG2-CG 3.95Å; I78-L90 HydrophobicContact CD1-CB 3.91Å; I78-L90 HydrophobicContact CG1-CB 4.03Å; I78-L90 HydrophobicContact CG1-CD1 4.46Å; I78-L90 HydrophobicContact CG2-CB 3.68Å; I78-L90 HydrophobicContact CG2-CD1 4.38Å; I78-L91 HydrophobicContact CB-CD2 4.38Å; I78-L91 HydrophobicContact CG2-CD2 3.81Å; I78-L91 HydrophobicContact CG2-CG 3.8Å; I78-L94 HydrophobicContact CD1-CB 4.03Å; I78-L94 HydrophobicContact CD1-CD2 3.94Å; I78-L94 HydrophobicContact CD1-CG 4.44Å; I78-V282 HydrophobicContact CG1-CG1 4.12Å; I78-T283 HydrophobicContact CD1-CG2 4.31Å
79S93.6Very high93.8Very high54 Ų5440 Ų4038%0.37821%0.209SC..Hα-helixtrans-64.5-19.2178.7-60.50000113.2E75 I81E75-S79 VanDerWaalsContact O-CB 3.3Å; E75-S79 WeakPolarHBondContact O-CB 3.3Å; E75-S79 PolarHBondContact O-N 3.24Å; E75-S79 PolarHBondContact O-OG 3.25Å; S79-I81 VanDerWaalsContact C-N 3.26Å; S79-I81 PolarHBondContact O-N 3.34Å
80S91Very high93.8Very high59 Ų5939.1 Ų39.141%0.41320%0.204SC..THydrogen-bonded Turntrans-79.4-7.4175.3-55.50000113.2R76 G77 I78R76-S80 PolarHBondContact O-N 3.05Å; R76-S80 PolarHBondContact O-OG 3.01Å; G77-S80 WeakPolarHBondContact O-CB 3.19Å; G77-S80 PolarHBondContact O-N 3.49Å; I78-S80 PolarHBondContact O-N 3.13Å; I78-S80 VanDerWaalsContact O-N 3.16Å
81I93.2Very high93.7Very high1 Ų138.6 Ų38.61%0.00520%0.201CC..  trans-81.7123175.7-61.4170.5000108.7I78 S79 H83 L86 L90 V282 L292 W295I78-I81 VanDerWaalsContact O-CB 3.29Å; I78-I81 WeakPolarHBondContact O-CB 3.34Å; I78-I81 PolarHBondContact O-N 3.36Å; S79-I81 VanDerWaalsContact C-N 3.26Å; S79-I81 PolarHBondContact O-N 3.34Å; I81-H83 VanDerWaalsContact C-N 3.32Å; I81-H83 HydrophobicContact CG2-CB 4.19Å; I81-H83 PolarHBondContact O-N 2.84Å; I81-L86 HydrophobicContact CG2-CD2 4.06Å; I81-L86 HydrophobicContact CG2-CG 4.39Å; I81-L90 HydrophobicContact CD1-CD1 3.38Å; I81-V282 HydrophobicContact CD1-CG1 4.33Å; I81-L292 HydrophobicContact CD1-CD2 3.85Å; I81-W295 HydrophobicContact CB-CZ2 4.48Å; I81-W295 HydrophobicContact CG1-CD2 4.21Å; I81-W295 HydrophobicContact CG1-CE3 4.46Å; I81-W295 HydrophobicContact CG1-CH2 4.17Å; I81-W295 HydrophobicContact CG1-CZ2 3.86Å; I81-W295 HydrophobicContact CG1-CZ3 4.43Å; I81-W295 HydrophobicContact CG2-CD2 4.22Å; I81-W295 HydrophobicContact CG2-CG 4.12Å
82N91.6Very high93.5Very high111 Ų11140.4 Ų40.459%0.59421%0.21SC*.  trans-84.71.1-175.261.5-29.1000114.2W295N82-W295 PolarHBondContact OD1-NE1 3Å
83H92Very high93.5Very high64 Ų6440.1 Ų40.130%0.29621%0.209SC..  trans-93104.9173.8-77.5-130000109.9I81 T85 L86 R87 W295 E298I81-H83 VanDerWaalsContact C-N 3.32Å; I81-H83 HydrophobicContact CG2-CB 4.19Å; I81-H83 PolarHBondContact O-N 2.84Å; H83-T85 PolarHBondContact O-N 2.93Å; H83-L86 HydrophobicContact CB-CB 3.84Å; H83-L86 HydrophobicContact CB-CD2 4.4Å; H83-L86 PolarHBondContact O-N 3.03Å; H83-R87 VanDerWaalsContact O-CB 3.3Å; H83-R87 WeakPolarHBondContact O-CB 3.35Å; H83-R87 PolarHBondContact O-N 3.38Å; H83-W295 AromaticContact CD2-CD1 3.69Å; H83-E298 IonicContact CD2-OE2 3.67Å; H83-E298 IonicContact CE1-OE2 3.64Å; H83-E298 IonicContact NE2-OE2 2.72Å; H83-E298 PolarHBondContact NE2-OE2 2.93Å
84D91.5Very high93.4Very high103 Ų10340 Ų4055%0.55121%0.208SC*.Hα-helixtrans-59.7-42.9-171.6-72.8-24.8000113.8R87 N88D84-R87 IonicContact OD1-CZ 3.58Å; D84-R87 IonicContact OD1-NH1 3.54Å; D84-R87 PolarHBondContact OD1-NH1 3.32Å; D84-R87 IonicContact OD1-NH2 3.6Å; D84-R87 PolarHBondContact OD1-NH2 2.8Å; D84-N88 WeakPolarHBondContact O-CB 3.32Å; D84-N88 PolarHBondContact O-N 2.99Å
85T91.8Very high93.2Very high99 Ų9939.9 Ų39.961%0.60721%0.207SC*.Hα-helixtrans-65.6-47.3179.1-55.40000111.4H83 N88 Q89H83-T85 PolarHBondContact O-N 2.93Å; T85-N88 PolarHBondContact O-N 3.29Å; T85-Q89 WeakPolarHBondContact O-CG 3.49Å; T85-Q89 PolarHBondContact O-N 3.29Å
86L93.8Very high92.9Very high2 Ų243.3 Ų43.31%0.0122%0.222CC..Hα-helixtrans-61.4-47.4176.9177.357.9000110.6I81 H83 N88 Q89 L90 C288 E291 L292 W295I81-L86 HydrophobicContact CG2-CD2 4.06Å; I81-L86 HydrophobicContact CG2-CG 4.39Å; H83-L86 HydrophobicContact CB-CB 3.84Å; H83-L86 HydrophobicContact CB-CD2 4.4Å; H83-L86 PolarHBondContact O-N 3.03Å; L86-N88 VanDerWaalsContact C-N 3.32Å; L86-N88 PolarHBondContact O-N 2.84Å; L86-Q89 PolarHBondContact O-N 3.18Å; L86-Q89 VanDerWaalsContact O-N 3.13Å; L86-L90 HydrophobicContact CD1-CD1 4Å; L86-L90 HydrophobicContact CD1-CD2 4.4Å; L86-L90 HydrophobicContact CD1-CG 4.02Å; L86-L90 HydrophobicContact CG-CD1 3.9Å; L86-L90 HydrophobicContact CG-CG 4.35Å; L86-L90 VanDerWaalsContact O-CG 3.26Å; L86-L90 WeakPolarHBondContact O-CG 2.86Å; L86-L90 PolarHBondContact O-N 3.05Å; L86-C288 HydrophobicContact CD1-CB 3.84Å; L86-E291 HydrophobicContact CD1-CB 4.07Å; L86-E291 HydrophobicContact CD2-CB 4.14Å; L86-L292 HydrophobicContact CD1-CG 4.27Å; L86-L292 HydrophobicContact CD2-CD2 3.96Å; L86-L292 HydrophobicContact CD2-CG 4.1Å; L86-W295 HydrophobicContact CD2-CB 4.34Å
87R94.3Very high92.7Very high49 Ų4942 Ų4219%0.18522%0.224CC..Hα-helixtrans-54-48.3176.6-175.517968.1-133.9-3.6111.4I78 H83 D84 Q89 L90 L91I78-R87 HydrophobicContact CG2-CG 3.95Å; H83-R87 VanDerWaalsContact O-CB 3.3Å; H83-R87 WeakPolarHBondContact O-CB 3.35Å; H83-R87 PolarHBondContact O-N 3.38Å; D84-R87 IonicContact OD1-CZ 3.58Å; D84-R87 IonicContact OD1-NH1 3.54Å; D84-R87 PolarHBondContact OD1-NH1 3.32Å; D84-R87 IonicContact OD1-NH2 3.6Å; D84-R87 PolarHBondContact OD1-NH2 2.8Å; R87-Q89 PolarHBondContact O-N 3.09Å; R87-L90 PolarHBondContact O-N 3.5Å; R87-L91 HydrophobicContact CG-CD1 4.17Å; R87-L91 HydrophobicContact CG-CG 4.47Å; R87-L91 VanDerWaalsContact O-CG 3.32Å; R87-L91 WeakPolarHBondContact O-CG 2.97Å; R87-L91 PolarHBondContact O-N 3.02Å
88N92.3Very high92.6Very high30 Ų3045.7 Ų45.716%0.1624%0.238CC..Hα-helixtrans-60.9-45.2177.7-175.513.7000111.9D84 T85 L86 L90 L91 I92 N190 L191D84-N88 WeakPolarHBondContact O-CB 3.32Å; D84-N88 PolarHBondContact O-N 2.99Å; T85-N88 PolarHBondContact O-N 3.29Å; L86-N88 VanDerWaalsContact C-N 3.32Å; L86-N88 PolarHBondContact O-N 2.84Å; N88-L90 VanDerWaalsContact C-N 3.32Å; N88-L90 PolarHBondContact O-N 3.03Å; N88-L91 PolarHBondContact O-N 3.46Å; N88-I92 WeakPolarHBondContact O-CG1 3.29Å; N88-I92 PolarHBondContact O-N 3.46Å; N88-N190 PolarHBondContact ND2-OD1 3.38Å; N88-N190 VanDerWaalsContact ND2-OD1 3.14Å; N88-L191 PolarHBondContact OD1-N 2.77Å
89Q92.7Very high92.5Very high58 Ų5845.7 Ų45.727%0.27124%0.238SC..Hα-helixtrans-60.4-40.8176.6-68.3-176.927.100112.6T85 L86 R87 I92 H93 C288T85-Q89 WeakPolarHBondContact O-CG 3.49Å; T85-Q89 PolarHBondContact O-N 3.29Å; L86-Q89 PolarHBondContact O-N 3.18Å; L86-Q89 VanDerWaalsContact O-N 3.13Å; R87-Q89 PolarHBondContact O-N 3.09Å; Q89-I92 PolarHBondContact O-N 2.96Å; Q89-H93 PolarHBondContact O-N 2.93Å; Q89-C288 PolarHBondContact OE1-SG 3.3Å
90L94.8Very high92.3Very high0 Ų044.4 Ų44.40%023%0.226CC..Hα-helixtrans-69-39.7177.9-64.5173.7000111.9I78 I81 L86 R87 N88 H93 L94 A284 C288 L292I78-L90 HydrophobicContact CD1-CB 3.91Å; I78-L90 HydrophobicContact CG1-CB 4.03Å; I78-L90 HydrophobicContact CG1-CD1 4.46Å; I78-L90 HydrophobicContact CG2-CB 3.68Å; I78-L90 HydrophobicContact CG2-CD1 4.38Å; I81-L90 HydrophobicContact CD1-CD1 3.38Å; L86-L90 HydrophobicContact CD1-CD1 4Å; L86-L90 HydrophobicContact CD1-CD2 4.4Å; L86-L90 HydrophobicContact CD1-CG 4.02Å; L86-L90 HydrophobicContact CG-CD1 3.9Å; L86-L90 HydrophobicContact CG-CG 4.35Å; L86-L90 VanDerWaalsContact O-CG 3.26Å; L86-L90 WeakPolarHBondContact O-CG 2.86Å; L86-L90 PolarHBondContact O-N 3.05Å; R87-L90 PolarHBondContact O-N 3.5Å; N88-L90 VanDerWaalsContact C-N 3.32Å; N88-L90 PolarHBondContact O-N 3.03Å; L90-H93 WeakPolarHBondContact O-CB 3.49Å; L90-H93 PolarHBondContact O-N 3.43Å; L90-L94 VanDerWaalsContact O-CB 3.3Å; L90-L94 WeakPolarHBondContact O-CB 3.35Å; L90-L94 PolarHBondContact O-N 2.91Å; L90-A284 HydrophobicContact CD2-CB 3.51Å; L90-C288 HydrophobicContact CD2-CB 4.08Å; L90-L292 HydrophobicContact CD1-CD2 4.01Å; L90-L292 HydrophobicContact CD2-CD1 4.16Å
91L93.8Very high92.3Very high0 Ų043.1 Ų43.10%022%0.217CC..Hα-helixtrans-63.5-41.5174.7-71.9175000111.8E75 I78 R87 N88 H93 L94 L95 L191 L194E75-L91 HydrophobicContact CG-CD2 3.94Å; I78-L91 HydrophobicContact CB-CD2 4.38Å; I78-L91 HydrophobicContact CG2-CD2 3.81Å; I78-L91 HydrophobicContact CG2-CG 3.8Å; R87-L91 HydrophobicContact CG-CD1 4.17Å; R87-L91 HydrophobicContact CG-CG 4.47Å; R87-L91 VanDerWaalsContact O-CG 3.32Å; R87-L91 WeakPolarHBondContact O-CG 2.97Å; R87-L91 PolarHBondContact O-N 3.02Å; N88-L91 PolarHBondContact O-N 3.46Å; L91-H93 VanDerWaalsContact C-N 3.34Å; L91-H93 PolarHBondContact O-N 3.43Å; L91-L94 PolarHBondContact O-N 2.84Å; L91-L95 WeakPolarHBondContact O-CB 3.48Å; L91-L95 PolarHBondContact O-N 3.45Å; L91-L191 HydrophobicContact CB-CB 3.89Å; L91-L191 HydrophobicContact CB-CD1 3.79Å; L91-L191 HydrophobicContact CD1-CB 3.93Å; L91-L194 HydrophobicContact CD2-CG 4.45Å
92I91.9Very high92.3Very high37 Ų3743.1 Ų43.119%0.1922%0.217CC..Hα-helixtrans-63-42.7174.5-67167.6000110.6N88 Q89 K96 L191N88-I92 WeakPolarHBondContact O-CG1 3.29Å; N88-I92 PolarHBondContact O-N 3.46Å; Q89-I92 PolarHBondContact O-N 2.96Å; I92-K96 HydrophobicContact CG2-CD 4.14Å; I92-K96 WeakPolarHBondContact O-CB 3.39Å; I92-K96 WeakPolarHBondContact O-CG 3.4Å; I92-K96 PolarHBondContact O-N 3.04Å; I92-L191 HydrophobicContact CG1-CD1 3.99Å
93H92.6Very high92.4Very high32 Ų3237.9 Ų37.915%0.14819%0.188CC..Hα-helixtrans-61.4-45.5175.4172.182000111.6Q89 L90 L91 K96 N97 P285Q89-H93 PolarHBondContact O-N 2.93Å; L90-H93 WeakPolarHBondContact O-CB 3.49Å; L90-H93 PolarHBondContact O-N 3.43Å; L91-H93 VanDerWaalsContact C-N 3.34Å; L91-H93 PolarHBondContact O-N 3.43Å; H93-K96 PolarHBondContact O-N 3.46Å; H93-N97 PolarHBondContact CE1-ND2 2.91Å; H93-N97 PolarHBondContact ND1-ND2 3.48Å; H93-N97 WeakPolarHBondContact O-CB 3.4Å; H93-N97 PolarHBondContact O-N 3.36Å; H93-N97 PolarHBondContact O-ND2 3.07Å; H93-P285 HydrophobicContact CB-CG 4.07Å; H93-P285 VanDerWaalsContact CG-CD 3.49Å
94L93.9Very high92.3Very high0 Ų036.7 Ų36.70%018%0.181CC..Hα-helixtrans-59.4-48.7178.5177.964000111L71 L74 E75 I78 L90 L91 K96 N97 Y98 G99 L194 T283L71-L94 HydrophobicContact CD1-CD1 3.66Å; L71-L94 HydrophobicContact CD1-CD2 3.92Å; L71-L94 HydrophobicContact CD1-CG 3.48Å; L71-L94 VanDerWaalsContact CD1-CG 3.48Å; L74-L94 HydrophobicContact CB-CD1 3.54Å; L74-L94 HydrophobicContact CB-CD2 4.04Å; L74-L94 HydrophobicContact CB-CG 4.47Å; L74-L94 HydrophobicContact CD1-CD1 3.67Å; L74-L94 HydrophobicContact CG-CD1 4.23Å; E75-L94 HydrophobicContact CB-CD2 3.81Å; I78-L94 HydrophobicContact CD1-CB 4.03Å; I78-L94 HydrophobicContact CD1-CD2 3.94Å; I78-L94 HydrophobicContact CD1-CG 4.44Å; L90-L94 VanDerWaalsContact O-CB 3.3Å; L90-L94 WeakPolarHBondContact O-CB 3.35Å; L90-L94 PolarHBondContact O-N 2.91Å; L91-L94 PolarHBondContact O-N 2.84Å; L94-K96 VanDerWaalsContact C-N 3.33Å; L94-K96 PolarHBondContact O-N 3.03Å; L94-N97 PolarHBondContact O-N 3.31Å; L94-Y98 HydrophobicContact CD1-CD2 3.61Å; L94-Y98 HydrophobicContact CD1-CE2 4.26Å; L94-Y98 HydrophobicContact CD1-CG 3.84Å; L94-Y98 WeakPolarHBondContact O-CA 3.3Å; L94-Y98 WeakPolarHBondContact O-CB 3.47Å; L94-Y98 PolarHBondContact O-N 3.21Å; L94-G99 PolarHBondContact O-N 3.27Å; L94-L194 HydrophobicContact CD2-CD1 3.73Å; L94-L194 HydrophobicContact CG-CD1 4.14Å; L94-T283 HydrophobicContact CB-CG2 4.49Å; L94-T283 HydrophobicContact CD1-CG2 3.75Å
95L91.7Very high92.3Very high2 Ų233.3 Ų33.31%0.0116%0.162CC..Iπ-helixtrans-58.6-44.6177.5-176.559.8000111.4L91 G99 M100 F184 L191 L194 F197L91-L95 WeakPolarHBondContact O-CB 3.48Å; L91-L95 PolarHBondContact O-N 3.45Å; L95-G99 CarbonylContact O-C 3.53Å; L95-G99 WeakPolarHBondContact O-CA 3.38Å; L95-G99 PolarHBondContact O-N 3.33Å; L95-M100 PolarHBondContact O-N 3.15Å; L95-M100 VanDerWaalsContact O-N 3.14Å; L95-F184 HydrophobicContact CB-CE2 4.49Å; L95-F184 HydrophobicContact CD1-CD2 3.82Å; L95-F184 HydrophobicContact CD1-CE2 4.17Å; L95-F184 HydrophobicContact CD2-CD2 3.9Å; L95-F184 HydrophobicContact CD2-CE2 4.18Å; L95-F184 HydrophobicContact CG-CD2 3.55Å; L95-F184 HydrophobicContact CG-CE2 3.57Å; L95-L191 HydrophobicContact CD2-CD1 4.23Å; L95-L194 HydrophobicContact CB-CD2 4.13Å; L95-L194 HydrophobicContact CD1-CD2 4.36Å; L95-F197 HydrophobicContact CD1-CB 4.08Å; L95-F197 HydrophobicContact CD1-CD1 3.86Å; L95-F197 HydrophobicContact CD1-CD2 3.58Å; L95-F197 HydrophobicContact CD1-CE1 4.16Å; L95-F197 HydrophobicContact CD1-CE2 3.9Å; L95-F197 HydrophobicContact CD1-CG 3.55Å; L95-F197 HydrophobicContact CD1-CZ 4.18Å
96K89.7Confident92.3Very high95 Ų9528.6 Ų28.641%0.41313%0.133SC..Iπ-helixtrans-66.7-43.9178.8-74.4178.6178.7-174.60113.5I92 H93 L94 F184I92-K96 HydrophobicContact CG2-CD 4.14Å; I92-K96 WeakPolarHBondContact O-CB 3.39Å; I92-K96 WeakPolarHBondContact O-CG 3.4Å; I92-K96 PolarHBondContact O-N 3.04Å; H93-K96 PolarHBondContact O-N 3.46Å; L94-K96 VanDerWaalsContact C-N 3.33Å; L94-K96 PolarHBondContact O-N 3.03Å; K96-F184 HydrophobicContact CG-CE2 4.39Å; K96-F184 HydrophobicContact CG-CZ 3.8Å
97N91.1Very high92.2Very high87 Ų8728.5 Ų28.547%0.46513%0.133SC..Iπ-helixtrans-95.4-16.6-169.5-67.5-86.1000114.1H93 L94 P101H93-N97 PolarHBondContact CE1-ND2 2.91Å; H93-N97 PolarHBondContact ND1-ND2 3.48Å; H93-N97 WeakPolarHBondContact O-CB 3.4Å; H93-N97 PolarHBondContact O-N 3.36Å; H93-N97 PolarHBondContact O-ND2 3.07Å; L94-N97 PolarHBondContact O-N 3.31Å; N97-P101 VanDerWaalsContact O-CG 3.31Å; N97-P101 WeakPolarHBondContact O-CG 3.37Å
98Y92.3Very high91.9Very high77 Ų7727.6 Ų27.630%0.30213%0.132SC..Iπ-helixtrans-125.2-34.1179.9-65-101.1000112.2L74 L94 I102 T283L74-Y98 HydrophobicContact CD1-CD1 3.62Å; L74-Y98 HydrophobicContact CD1-CD2 4.27Å; L74-Y98 HydrophobicContact CD1-CE1 3.42Å; L74-Y98 VanDerWaalsContact CD1-CE1 3.42Å; L74-Y98 HydrophobicContact CD1-CE2 4.11Å; L74-Y98 HydrophobicContact CD1-CG 4.04Å; L94-Y98 HydrophobicContact CD1-CD2 3.61Å; L94-Y98 HydrophobicContact CD1-CE2 4.26Å; L94-Y98 HydrophobicContact CD1-CG 3.84Å; L94-Y98 WeakPolarHBondContact O-CA 3.3Å; L94-Y98 WeakPolarHBondContact O-CB 3.47Å; L94-Y98 PolarHBondContact O-N 3.21Å; Y98-I102 WeakPolarHBondContact O-CD1 3.41Å; Y98-I102 WeakPolarHBondContact O-CG1 3.27Å; Y98-T283 HydrophobicContact CD2-CG2 4.23Å; Y98-T283 HydrophobicContact CE2-CG2 3.6Å; Y98-T283 PolarHBondContact OH-OG1 3.11Å
99G92.1Very high91.7Very high0 Ų026.8 Ų26.80%013%0.127CC..Iπ-helixtrans-67.2-52.517400000113L94 L95 I102 V103L94-G99 PolarHBondContact O-N 3.27Å; L95-G99 CarbonylContact O-C 3.53Å; L95-G99 WeakPolarHBondContact O-CA 3.38Å; L95-G99 PolarHBondContact O-N 3.33Å; G99-I102 WeakPolarHBondContact O-CB 3.5Å; G99-I102 PolarHBondContact O-N 3.26Å; G99-I102 VanDerWaalsContact O-N 3.08Å; G99-V103 PolarHBondContact O-N 3.26Å
100M89.8Confident91.4Very high27 Ų2724 Ų2413%0.13311%0.114CC..Hα-helixtrans-60.8-39.6-179.4-73.3-55.5-60.100114.6L95 I102 V103 R104 Y155 L181 F184L95-M100 PolarHBondContact O-N 3.15Å; L95-M100 VanDerWaalsContact O-N 3.14Å; M100-I102 PolarHBondContact O-N 2.94Å; M100-V103 WeakPolarHBondContact O-CB 3.43Å; M100-V103 PolarHBondContact O-N 3.29Å; M100-V103 VanDerWaalsContact O-N 3.1Å; M100-V103 HydrophobicContact SD-CG2 4.37Å; M100-R104 PolarHBondContact O-N 3.45Å; M100-Y155 HydrophobicContact CE-CD2 4.43Å; M100-Y155 HydrophobicContact CE-CE1 4.39Å; M100-Y155 HydrophobicContact CE-CE2 3.68Å; M100-L181 HydrophobicContact CE-CD2 4.46Å; M100-F184 HydrophobicContact CG-CD2 4.05Å; M100-F184 HydrophobicContact CG-CE1 4.16Å; M100-F184 HydrophobicContact CG-CE2 3.31Å; M100-F184 HydrophobicContact CG-CZ 3.36Å; M100-F184 HydrophobicContact SD-CD1 4.05Å; M100-F184 HydrophobicContact SD-CD2 3.6Å; M100-F184 HydrophobicContact SD-CE1 3.94Å; M100-F184 HydrophobicContact SD-CE2 3.5Å; M100-F184 WeakPolarHBondContact SD-CE2 3.49Å; M100-F184 HydrophobicContact SD-CG 3.87Å; M100-F184 HydrophobicContact SD-CZ 3.66Å
101P91.3Very high91Very high32 Ų3224.6 Ų24.621%0.20812%0.118CC..Hα-helixtrans-57.2-33.5172.3-3138.2000114.5N97 R104 Q105N97-P101 VanDerWaalsContact O-CG 3.31Å; N97-P101 WeakPolarHBondContact O-CG 3.37Å; P101-R104 WeakPolarHBondContact O-CB 3.39Å; P101-R104 PolarHBondContact O-N 3.43Å; P101-Q105 WeakPolarHBondContact O-CB 3.35Å; P101-Q105 PolarHBondContact O-N 2.91Å
102I93.5Very high90.5Very high1 Ų128.2 Ų28.21%0.00513%0.132CC..Hα-helixtrans-64.4-47.1173.7-64.6160.5000110V64 M67 V68 L71 Y98 G99 M100 R104 Q105 L106 I201V64-I102 HydrophobicContact CG1-CG2 4.25Å; M67-I102 HydrophobicContact CB-CD1 4.17Å; M67-I102 HydrophobicContact CB-CG1 3.58Å; M67-I102 HydrophobicContact SD-CG1 4.29Å; V68-I102 HydrophobicContact CG2-CD1 3.9Å; V68-I102 HydrophobicContact CG2-CG1 4.43Å; V68-I102 HydrophobicContact CG2-CG2 4.13Å; L71-I102 HydrophobicContact CB-CD1 4.27Å; L71-I102 HydrophobicContact CD2-CD1 3.7Å; Y98-I102 WeakPolarHBondContact O-CD1 3.41Å; Y98-I102 WeakPolarHBondContact O-CG1 3.27Å; G99-I102 WeakPolarHBondContact O-CB 3.5Å; G99-I102 PolarHBondContact O-N 3.26Å; G99-I102 VanDerWaalsContact O-N 3.08Å; M100-I102 PolarHBondContact O-N 2.94Å; I102-R104 VanDerWaalsContact C-N 3.27Å; I102-R104 PolarHBondContact O-N 3.32Å; I102-Q105 PolarHBondContact O-N 3.22Å; I102-L106 HydrophobicContact CG2-CD1 4.17Å; I102-L106 WeakPolarHBondContact O-CG 3.45Å; I102-L106 PolarHBondContact O-N 2.72Å; I102-I201 HydrophobicContact CG2-CD1 4.37Å; I102-I201 HydrophobicContact CG2-CG2 4.22Å
103V92.6Very high90Very high0 Ų030.5 Ų30.50%014%0.142CC..Hα-helixtrans-58.8-43.6176.6-171.70000110.3G99 M100 L106 C107 Y155 V180 L181 F197 I201G99-V103 PolarHBondContact O-N 3.26Å; M100-V103 WeakPolarHBondContact O-CB 3.43Å; M100-V103 PolarHBondContact O-N 3.29Å; M100-V103 VanDerWaalsContact O-N 3.1Å; M100-V103 HydrophobicContact SD-CG2 4.37Å; V103-L106 PolarHBondContact O-N 2.96Å; V103-C107 WeakPolarHBondContact O-CB 3.39Å; V103-C107 PolarHBondContact O-N 2.96Å; V103-C107 PolarHBondContact O-SG 2.81Å; V103-Y155 HydrophobicContact CB-CE1 4.48Å; V103-Y155 HydrophobicContact CG1-CD1 4.29Å; V103-Y155 HydrophobicContact CG1-CE1 3.85Å; V103-V180 HydrophobicContact CB-CG1 4.38Å; V103-V180 HydrophobicContact CG1-CG1 3.96Å; V103-V180 HydrophobicContact CG2-CG1 3.5Å; V103-V180 VanDerWaalsContact CG2-CG1 3.5Å; V103-L181 HydrophobicContact CG1-CD2 4.48Å; V103-F197 HydrophobicContact CG2-CE2 4.16Å; V103-F197 HydrophobicContact CG2-CZ 4.1Å; V103-I201 HydrophobicContact CG2-CD1 3.94Å
104R90.8Very high89.3Confident40 Ų4030.2 Ų30.215%0.15114%0.141CC..Hα-helixtrans-57.6-51.3176.1173.955.1-169.6-156.516.3111.5M100 P101 I102 L106 C107 D108 W118 Y155M100-R104 PolarHBondContact O-N 3.45Å; P101-R104 WeakPolarHBondContact O-CB 3.39Å; P101-R104 PolarHBondContact O-N 3.43Å; I102-R104 VanDerWaalsContact C-N 3.27Å; I102-R104 PolarHBondContact O-N 3.32Å; R104-L106 VanDerWaalsContact C-N 3.31Å; R104-L106 PolarHBondContact O-N 3.06Å; R104-C107 PolarHBondContact O-N 2.82Å; R104-C107 VanDerWaalsContact O-N 3.14Å; R104-D108 IonicContact CZ-OD1 2.82Å; R104-D108 IonicContact CZ-OD2 2.63Å; R104-D108 IonicContact NE-OD1 3.03Å; R104-D108 PolarHBondContact NE-OD1 3.45Å; R104-D108 IonicContact NE-OD2 3.28Å; R104-D108 PolarHBondContact NE-OD2 3.09Å; R104-D108 IonicContact NH2-OD1 3.08Å; R104-D108 PolarHBondContact NH2-OD1 3.13Å; R104-D108 IonicContact NH2-OD2 3.79Å; R104-D108 PolarHBondContact O-N 3.26Å; R104-W118 VanDerWaalsContact CZ-CE2 3.46Å; R104-Y155 WeakPolarHBondContact CB-OH 3.46Å
105Q91.7Very high88.4Confident32 Ų3231.2 Ų31.215%0.1515%0.151CC..Hα-helixtrans-60.3-41.3-178.5-173.464.429.300112.2V63 V64 M67 P101 I102 D108 H109V63-Q105 HydrophobicContact CG1-CG 3.98Å; V64-Q105 HydrophobicContact CG2-CB 4.3Å; V64-Q105 HydrophobicContact CG2-CG 3.83Å; M67-Q105 HydrophobicContact SD-CB 4.38Å; P101-Q105 WeakPolarHBondContact O-CB 3.35Å; P101-Q105 PolarHBondContact O-N 2.91Å; I102-Q105 PolarHBondContact O-N 3.22Å; Q105-D108 PolarHBondContact O-N 3.32Å; Q105-H109 PolarHBondContact O-N 2.73Å; Q105-H109 VanDerWaalsContact O-N 3.12Å
106L92.1Very high87.8Confident0 Ų031.8 Ų31.80%015%0.154CC..Hα-helixtrans-64.6-43.7175.3-69.9172.1000111.4V64 I102 V103 R104 D108 H109 I110 I201 L204 L209 L211V64-L106 HydrophobicContact CG1-CD2 4.23Å; V64-L106 HydrophobicContact CG2-CD2 3.86Å; V64-L106 HydrophobicContact CG2-CG 4.23Å; I102-L106 HydrophobicContact CG2-CD1 4.17Å; I102-L106 WeakPolarHBondContact O-CG 3.45Å; I102-L106 PolarHBondContact O-N 2.72Å; V103-L106 PolarHBondContact O-N 2.96Å; R104-L106 VanDerWaalsContact C-N 3.31Å; R104-L106 PolarHBondContact O-N 3.06Å; L106-D108 PolarHBondContact O-N 2.99Å; L106-H109 WeakPolarHBondContact O-CB 3.16Å; L106-H109 PolarHBondContact O-N 3.09Å; L106-I110 WeakPolarHBondContact O-CD1 3.3Å; L106-I110 VanDerWaalsContact O-CG1 3.31Å; L106-I110 WeakPolarHBondContact O-CG1 3.44Å; L106-I110 PolarHBondContact O-N 3.28Å; L106-I201 HydrophobicContact CD1-CD1 4.4Å; L106-I201 HydrophobicContact CD1-CG2 4.48Å; L106-L204 HydrophobicContact CB-CD2 4.43Å; L106-L204 HydrophobicContact CD1-CD2 4.1Å; L106-L204 HydrophobicContact CD1-CG 4.48Å; L106-L209 HydrophobicContact CD2-CD1 4.04Å; L106-L211 HydrophobicContact CD2-CD1 3.67Å
107C91.1Very high87.1Confident0 Ų031.5 Ų31.50%016%0.162CC..Hα-helixtrans-68.2-35.1178.5-63.20000111.9V103 R104 H109 I110 S111 W118 Y155 L158V103-C107 WeakPolarHBondContact O-CB 3.39Å; V103-C107 PolarHBondContact O-N 2.96Å; V103-C107 PolarHBondContact O-SG 2.81Å; R104-C107 PolarHBondContact O-N 2.82Å; R104-C107 VanDerWaalsContact O-N 3.14Å; C107-H109 VanDerWaalsContact C-N 3.28Å; C107-H109 PolarHBondContact O-N 3.24Å; C107-I110 PolarHBondContact O-N 3.5Å; C107-S111 VanDerWaalsContact O-CB 3.27Å; C107-S111 WeakPolarHBondContact O-CB 3.49Å; C107-S111 PolarHBondContact O-N 3.27Å; C107-W118 VanDerWaalsContact C-CZ3 3.45Å; C107-W118 HydrophobicContact CB-CH2 3.28Å; C107-W118 HydrophobicContact CB-CZ3 3.38Å; C107-W118 WeakPolarHBondContact O-CZ3 3.4Å; C107-Y155 HydrophobicContact CB-CE1 4.47Å; C107-L158 HydrophobicContact CB-CD2 3.7Å
108D88.4Confident86.2Confident30 Ų3028.4 Ų28.416%0.1614%0.143CC..Hα-helixtrans-61.2-38.8172.7-81.9-29.7000111.7R104 Q105 L106 Y112R104-D108 IonicContact CZ-OD1 2.82Å; R104-D108 IonicContact CZ-OD2 2.63Å; R104-D108 IonicContact NE-OD1 3.03Å; R104-D108 PolarHBondContact NE-OD1 3.45Å; R104-D108 IonicContact NE-OD2 3.28Å; R104-D108 PolarHBondContact NE-OD2 3.09Å; R104-D108 IonicContact NH2-OD1 3.08Å; R104-D108 PolarHBondContact NH2-OD1 3.13Å; R104-D108 IonicContact NH2-OD2 3.79Å; R104-D108 PolarHBondContact O-N 3.26Å; Q105-D108 PolarHBondContact O-N 3.32Å; L106-D108 PolarHBondContact O-N 2.99Å; D108-Y112 WeakPolarHBondContact O-CB 3.47Å; D108-Y112 PolarHBondContact O-N 3.42Å; D108-Y112 VanDerWaalsContact O-N 3.11Å
109H88Confident84.9Confident12 Ų1225 Ų256%0.05613%0.131CC..Hα-helixtrans-62.7-48.9173-175.376.7000111.3T60 Q105 L106 C107 Y112 E113T60-H109 HydrophobicContact CG2-CB 3.74Å; T60-H109 PolarHBondContact OG1-ND1 2.9Å; Q105-H109 PolarHBondContact O-N 2.73Å; Q105-H109 VanDerWaalsContact O-N 3.12Å; L106-H109 WeakPolarHBondContact O-CB 3.16Å; L106-H109 PolarHBondContact O-N 3.09Å; C107-H109 VanDerWaalsContact C-N 3.28Å; C107-H109 PolarHBondContact O-N 3.24Å; H109-Y112 WeakPolarHBondContact O-CB 3.41Å; H109-Y112 PolarHBondContact O-N 3.12Å; H109-E113 IonicContact CD2-OE2 3.94Å; H109-E113 IonicContact NE2-OE2 3.95Å; H109-E113 WeakPolarHBondContact O-CB 3.4Å; H109-E113 PolarHBondContact O-N 3.08Å
110I87.2Confident83.3Confident0 Ų028.1 Ų28.10%016%0.163CC..Hα-helixtrans-60.8-48.7178.1-68.1160.2000111.4L106 C107 Y112 E113 F114 L162 I173 I177 L204 L209L106-I110 WeakPolarHBondContact O-CD1 3.3Å; L106-I110 VanDerWaalsContact O-CG1 3.31Å; L106-I110 WeakPolarHBondContact O-CG1 3.44Å; L106-I110 PolarHBondContact O-N 3.28Å; C107-I110 PolarHBondContact O-N 3.5Å; I110-Y112 PolarHBondContact O-N 3.01Å; I110-E113 PolarHBondContact O-N 3.16Å; I110-E113 VanDerWaalsContact O-N 3.11Å; I110-F114 HydrophobicContact CG2-CD2 3.9Å; I110-F114 HydrophobicContact CG2-CE2 4.33Å; I110-F114 WeakPolarHBondContact O-CD2 3.12Å; I110-F114 PolarHBondContact O-N 3.42Å; I110-L162 HydrophobicContact CG2-CD1 3.9Å; I110-L162 HydrophobicContact CG2-CD2 3.88Å; I110-L162 HydrophobicContact CG2-CG 4.48Å; I110-I173 HydrophobicContact CD1-CG2 3.64Å; I110-I173 HydrophobicContact CG1-CG2 4.08Å; I110-I173 HydrophobicContact CG2-CG2 3.83Å; I110-I177 HydrophobicContact CD1-CD1 3.98Å; I110-I177 HydrophobicContact CD1-CG1 4.21Å; I110-L204 HydrophobicContact CD1-CD1 4.17Å; I110-L209 HydrophobicContact CD1-CD1 4.11Å; I110-L209 HydrophobicContact CD1-CD2 4.31Å; I110-L209 HydrophobicContact CG1-CD1 4.07Å; I110-L209 HydrophobicContact CG1-CD2 3.76Å
111S85.1Confident81.4Confident12 Ų1230.5 Ų30.58%0.08418%0.182CC..Hα-helixtrans-55.9-41.8178.3164.80000110.9C107 G115 I116C107-S111 VanDerWaalsContact O-CB 3.27Å; C107-S111 WeakPolarHBondContact O-CB 3.49Å; C107-S111 PolarHBondContact O-N 3.27Å; S111-G115 CarbonylContact O-C 3.55Å; S111-G115 WeakPolarHBondContact O-CA 3.46Å; S111-G115 PolarHBondContact O-N 2.61Å; S111-I116 PolarHBondContact O-N 2.81Å; S111-I116 PolarHBondContact OG-O 3.27Å
112Y83.9Confident78.5Confident76 Ų7635 Ų3530%0.29821%0.209SC..Hα-helixtrans-67.7-47.5173.6170.4-90.5000113.1F52 D53 K56 D108 H109 I110 F114 G115F52-Y112 WeakPolarHBondContact CD1-OH 3.28Å; F52-Y112 AromaticContact CE1-CE2 3.94Å; F52-Y112 HydrophobicContact CE1-CE2 3.94Å; F52-Y112 AromaticContact CE1-CZ 3.65Å; F52-Y112 WeakPolarHBondContact CE1-OH 3.3Å; D53-Y112 WeakPolarHBondContact OD1-CE1 3.35Å; D53-Y112 PolarHBondContact OD1-OH 3.17Å; D53-Y112 VanDerWaalsContact OD1-OH 3.09Å; K56-Y112 HydrophobicContact CD-CD1 3.42Å; K56-Y112 VanDerWaalsContact CD-CD1 3.42Å; K56-Y112 HydrophobicContact CD-CD2 4.1Å; K56-Y112 HydrophobicContact CD-CE1 3.48Å; K56-Y112 VanDerWaalsContact CD-CE1 3.48Å; K56-Y112 HydrophobicContact CD-CE2 4.07Å; K56-Y112 HydrophobicContact CD-CG 3.78Å; K56-Y112 HydrophobicContact CG-CD1 4.49Å; D108-Y112 WeakPolarHBondContact O-CB 3.47Å; D108-Y112 PolarHBondContact O-N 3.42Å; D108-Y112 VanDerWaalsContact O-N 3.11Å; H109-Y112 WeakPolarHBondContact O-CB 3.41Å; H109-Y112 PolarHBondContact O-N 3.12Å; I110-Y112 PolarHBondContact O-N 3.01Å; Y112-F114 VanDerWaalsContact C-N 3.26Å; Y112-F114 PolarHBondContact O-N 3.14Å; Y112-G115 PolarHBondContact O-N 2.9Å; Y112-G115 VanDerWaalsContact O-N 3.1Å
113E80.8Confident75.4Confident86 Ų8640.5 Ų40.540%0.40224%0.243SC..Hα-helixtrans-60.9-35.1-178.2-175.3178.4-171.900112.1R38 H109 I110R38-E113 PolarHBondContact NH1-O 3.14Å; R38-E113 PolarHBondContact NH2-O 3.48Å; H109-E113 IonicContact CD2-OE2 3.94Å; H109-E113 IonicContact NE2-OE2 3.95Å; H109-E113 WeakPolarHBondContact O-CB 3.4Å; H109-E113 PolarHBondContact O-N 3.08Å; I110-E113 PolarHBondContact O-N 3.16Å; I110-E113 VanDerWaalsContact O-N 3.11Å
114F78.4Confident72.3Confident26 Ų2645.2 Ų45.211%0.11428%0.276CS..Hα-helixtrans-94.9-4.9176.7-71.5-91.1000113.9R38 I110 Y112 I116 L162 L167 D169 A170 I173R38-F114 PolarHBondContact NH2-O 3.4Å; I110-F114 HydrophobicContact CG2-CD2 3.9Å; I110-F114 HydrophobicContact CG2-CE2 4.33Å; I110-F114 WeakPolarHBondContact O-CD2 3.12Å; I110-F114 PolarHBondContact O-N 3.42Å; Y112-F114 VanDerWaalsContact C-N 3.26Å; Y112-F114 PolarHBondContact O-N 3.14Å; F114-I116 HydrophobicContact CB-CD1 3.66Å; F114-I116 HydrophobicContact CB-CG1 3.81Å; F114-I116 PolarHBondContact O-N 3.26Å; F114-L162 HydrophobicContact CB-CD2 4.21Å; F114-L162 HydrophobicContact CD1-CD2 4.27Å; F114-L162 HydrophobicContact CD2-CD2 4.01Å; F114-L162 HydrophobicContact CG-CD2 3.87Å; F114-L167 HydrophobicContact CD1-CD1 4.34Å; F114-L167 HydrophobicContact CE1-CD1 4.2Å; F114-D169 HydrophobicContact CZ-CB 4.45Å; F114-A170 HydrophobicContact CD1-CB 4.18Å; F114-A170 HydrophobicContact CE1-CB 3.75Å; F114-A170 HydrophobicContact CZ-CB 4.34Å; F114-I173 HydrophobicContact CD2-CD1 4.5Å; F114-I173 HydrophobicContact CE2-CD1 3.33Å; F114-I173 HydrophobicContact CZ-CD1 3.45Å; F114-I173 VanDerWaalsContact CZ-CD1 3.45Å
115G75.4Confident69.4Low21 Ų2152.4 Ų52.422%0.21631%0.308CS..THydrogen-bonded Turntrans68.817.2178.100000112.7Q34 S111 Y112Q34-G115 PolarHBondContact NE2-O 3.3Å; Q34-G115 PolarHBondContact OE1-O 3.49Å; S111-G115 CarbonylContact O-C 3.55Å; S111-G115 WeakPolarHBondContact O-CA 3.46Å; S111-G115 PolarHBondContact O-N 2.61Å; Y112-G115 PolarHBondContact O-N 2.9Å; Y112-G115 VanDerWaalsContact O-N 3.1Å
116I78Confident66.6Low14 Ų1457.6 Ų57.67%0.07234%0.337CS..PPolyproline II helixtrans-82.9125.6-177.7-63.1172.5000107.4S111 F114 W118 L158 L161 L162 T165S111-I116 PolarHBondContact O-N 2.81Å; S111-I116 PolarHBondContact OG-O 3.27Å; F114-I116 HydrophobicContact CB-CD1 3.66Å; F114-I116 HydrophobicContact CB-CG1 3.81Å; F114-I116 PolarHBondContact O-N 3.26Å; I116-W118 PolarHBondContact O-N 2.92Å; I116-L158 HydrophobicContact CG2-CD1 4.02Å; I116-L161 HydrophobicContact CD1-CB 4.42Å; I116-L161 HydrophobicContact CG2-CB 3.65Å; I116-L161 HydrophobicContact CG2-CD1 3.57Å; I116-L161 HydrophobicContact CG2-CG 4.17Å; I116-L162 HydrophobicContact CD1-CB 4.5Å; I116-L162 HydrophobicContact CD1-CD2 3.46Å; I116-L162 VanDerWaalsContact CD1-CD2 3.46Å; I116-L162 HydrophobicContact CD1-CG 3.8Å; I116-T165 HydrophobicContact CD1-CG2 4.02Å
117P75.9Confident63.5Low89 Ų8960.2 Ų60.258%0.57836%0.364SS*.PPolyproline II helixtrans-63.1137.1177.526.3-33.5000110.4
118W71.8Confident60.5Low21 Ų2166.8 Ų66.88%0.0841%0.407CS..PPolyproline II helixtrans-63.2131178.2-170.3-86.6000110.8R104 C107 I116 G120 S121 L150 Y155 L158R104-W118 VanDerWaalsContact CZ-CE2 3.46Å; C107-W118 VanDerWaalsContact C-CZ3 3.45Å; C107-W118 HydrophobicContact CB-CH2 3.28Å; C107-W118 HydrophobicContact CB-CZ3 3.38Å; C107-W118 WeakPolarHBondContact O-CZ3 3.4Å; I116-W118 PolarHBondContact O-N 2.92Å; W118-G120 PolarHBondContact O-N 3.46Å; W118-S121 WeakPolarHBondContact CB-OG 3.42Å; W118-S121 PolarHBondContact O-N 3.21Å; W118-S121 PolarHBondContact O-OG 2.86Å; W118-L150 HydrophobicContact CZ2-CD2 4.26Å; W118-Y155 HydrophobicContact CH2-CD1 4.42Å; W118-Y155 HydrophobicContact CH2-CE1 4.36Å; W118-L158 HydrophobicContact CE3-CD2 4.49Å; W118-L158 HydrophobicContact CH2-CD2 3.78Å; W118-L158 HydrophobicContact CZ3-CD2 3.57Å
119P65Low57.9Low7 Ų772.9 Ų72.95%0.04544%0.439CS..THydrogen-bonded Turntrans-68.5109.3-179.6-21.736000111.5S154 R157 L158 L161P119-S154 WeakPolarHBondContact CG-O 3.5Å; P119-S154 PolarHBondContact O-OG 2.94Å; P119-R157 HydrophobicContact CB-CB 3.81Å; P119-R157 HydrophobicContact CB-CG 3.77Å; P119-R157 HydrophobicContact CG-CB 3.85Å; P119-R157 HydrophobicContact CG-CG 3.81Å; P119-L158 HydrophobicContact CG-CB 4.27Å; P119-L161 HydrophobicContact CG-CD1 4.22Å
120G59.3Low55.3Low65 Ų6581 Ų8167%0.6747%0.474SS*.THydrogen-bonded Turntrans122.1-15-178.700000114.3W118 T122W118-G120 PolarHBondContact O-N 3.46Å; G120-T122 PolarHBondContact O-N 2.87Å
121S48.6Very low52.6Low76 Ų7686.4 Ų86.453%0.53151%0.507SS..  trans-84.257.3170.536.50000111.6W118 T123W118-S121 WeakPolarHBondContact CB-OG 3.42Å; W118-S121 PolarHBondContact O-N 3.21Å; W118-S121 PolarHBondContact O-OG 2.86Å; S121-T123 VanDerWaalsContact C-N 3.25Å; S121-T123 PolarHBondContact O-N 3.41Å
122T30.7Very low50.1Low128 Ų12893.3 Ų93.379%0.78554%0.543SS*.  trans-71.293.2156.640.10000106.9G120 S124G120-T122 PolarHBondContact O-N 2.87Å; T122-S124 VanDerWaalsContact C-N 3.31Å; T122-S124 PolarHBondContact O-N 2.85Å
123T29.8Very low47.7Very low115 Ų11594.8 Ų94.871%0.70656%0.564SS**  trans-58.1106.4154.8350000106.2S121 K125S121-T123 VanDerWaalsContact C-N 3.25Å; S121-T123 PolarHBondContact O-N 3.41Å; T123-K125 PolarHBondContact O-N 3.48Å
124S26.3Very low45.3Very low100 Ų10095.1 Ų95.170%0.69958%0.576SS**  trans-55.283158.5163.10000107.8T122 N126T122-S124 VanDerWaalsContact C-N 3.31Å; T122-S124 PolarHBondContact O-N 2.85Å; S124-N126 VanDerWaalsContact C-N 3.3Å; S124-N126 PolarHBondContact O-N 3.16Å; S124-N126 VanDerWaalsContact O-N 3.12Å
125K31Very low43Very low191 Ų191101.3 Ų101.383%0.8361%0.61SS**  trans-76.993162-78.3-169.7178.5178.90106.9T123 G127T123-K125 PolarHBondContact O-N 3.48Å; K125-G127 PolarHBondContact O-N 3.35Å
126N31.3Very low40.8Very low141 Ų141105.1 Ų105.175%0.75463%0.634SS**  trans-21.6122.3149.4-54.8-30000110.4S124S124-N126 VanDerWaalsContact C-N 3.3Å; S124-N126 PolarHBondContact O-N 3.16Å; S124-N126 VanDerWaalsContact O-N 3.12Å
127G28Very low38.4Very low55 Ų55110.7 Ų110.757%0.56767%0.669SS**  73.210882.600000109.8K125 L129K125-G127 PolarHBondContact O-N 3.35Å; G127-L129 PolarHBondContact O-N 3.38Å
128P27.5Very low36.2Very low138 Ų138115.4 Ų115.490%0.89668%0.683SS**  trans-75.5102-169.630.8-32.1000110.3
129L34.1Very low34Very low158 Ų158121.4 Ų121.483%0.82772%0.716SS**  trans-137.194172.9-86.9158.1000111G127G127-L129 PolarHBondContact O-N 3.38Å
130K34.4Very low32.2Very low182 Ų182128.7 Ų128.779%0.79176%0.755SS**  trans40.6109134.1-73.5-177.9177.4179.70119.5
131T28.9Very low30.7Very low114 Ų114132.2 Ų132.270%0.69976%0.759SS**  40.9107.812455.10000118.5
132N32.9Very low29.8Very low156 Ų156134.8 Ų134.883%0.83477%0.771SS**  165.1136.6102.9-85.4-23.2000112.6
133S33.9Very low29.7Very low107 Ų107137.6 Ų137.675%0.74877%0.772SS**  trans71.5110.6147.4-141.60000120
134S30.9Very low29.9Very low93 Ų93135.2 Ų135.265%0.6576%0.76SS**  trans39.5112.9132.562.30000118.7
135D30.1Very low30Very low156 Ų156136.3 Ų136.383%0.83476%0.758SS**  -169.7141.988-123-24.3000111
136S27.9Very low30.5Very low101 Ų101131.9 Ų131.971%0.70674%0.743SS**  trans-67.1157.1-179.543.30000112.6
137T28Very low30.8Very low132 Ų132131.2 Ų131.281%0.8174%0.744SS**  trans98.668.8165.3-20.30000116.7
138Q29.3Very low31.6Very low188 Ų188135.9 Ų135.988%0.87975%0.751SS**  trans-139.4102.9158-88.3-170.1-15.200113
139N27Very low32.9Very low146 Ų146135 Ų13578%0.78175%0.748SS**  trans21101.6139.7-72.1-21.3000118.8N141N139-N141 PolarHBondContact O-N 3.45Å
140N27.2Very low34.1Very low161 Ų161130 Ų13086%0.86172%0.722SS**  trans-79.473.1154.3-78.4-21.2000110.3
141N26.5Very low35.8Very low139 Ų139124.1 Ų124.174%0.74370%0.703SS**  trans-102.979.2160-100-13.2000107.8N139 K143N139-N141 PolarHBondContact O-N 3.45Å; N141-K143 PolarHBondContact O-N 2.96Å
142V30Very low38.2Very low130 Ų130122 Ų12279%0.78869%0.687SS**  trans-75.683165-176.90000106.7S144V142-S144 VanDerWaalsContact C-N 3.34Å; V142-S144 PolarHBondContact O-N 3.38Å
143K28.4Very low40.5Very low187 Ų187120.7 Ų120.781%0.81368%0.676SS**  trans-58.7102.6155.7-90.4179171.8179.10106N141 N145N141-K143 PolarHBondContact O-N 2.96Å; K143-N145 PolarHBondContact O-N 3.35Å
144S33.5Very low42.9Very low64 Ų64116.3 Ų116.345%0.44865%0.645SS.*  trans-60.6117.4159.647.10000106.5V142 I146V142-S144 VanDerWaalsContact C-N 3.34Å; V142-S144 PolarHBondContact O-N 3.38Å; S144-I146 PolarHBondContact O-N 3.34Å
145N29Very low45.6Very low124 Ų124112.1 Ų112.166%0.66362%0.615SS**  trans-63.6102.8168.2-83.1-20.2000106.8K143 T147K143-N145 PolarHBondContact O-N 3.35Å; N145-T147 PolarHBondContact O-N 3.12Å
146I41.5Very low48.4Very low98 Ų98107.7 Ų107.750%0.50359%0.589SS.*THydrogen-bonded Turntrans-632.8178.7-65.3168.8000111.9S144S144-I146 PolarHBondContact O-N 3.34Å
147T38.6Very low51.2Low126 Ų126110.5 Ų110.577%0.77359%0.585SS**THydrogen-bonded Turntrans-92.5-10.9-174.744.90000115.3N145 S149N145-T147 PolarHBondContact O-N 3.12Å; T147-S149 PolarHBondContact O-N 2.96Å
148E43.8Very low54Low154 Ų154104.2 Ų104.272%0.7255%0.546SS*.SBendtrans-84.4114.4174.9-79178.9-175.500110.7L150E148-L150 PolarHBondContact O-N 3.39Å
149S54.1Low56.8Low120 Ų12095.4 Ų95.484%0.83951%0.505SS*.  trans-65.5104172.356.90000109.3T147T147-S149 PolarHBondContact O-N 2.96Å
150L60.3Low59.7Low53 Ų5392.4 Ų92.428%0.27749%0.486SS..  trans-69.8141.4173.7-78104.5000111.7W118 E148 Y155W118-L150 HydrophobicContact CZ2-CD2 4.26Å; E148-L150 PolarHBondContact O-N 3.39Å; L150-Y155 HydrophobicContact CB-CE2 4.25Å
151S70.8Confident62.5Low57 Ų5787.5 Ų87.540%0.39946%0.46SS..  trans-60.2146.1171.974.80000110.8E153 S154S151-E153 WeakPolarHBondContact CB-OE2 3.4Å; S151-E153 PolarHBondContact O-N 2.99Å; S151-S154 WeakPolarHBondContact O-CB 3.43Å; S151-S154 PolarHBondContact O-N 3.29Å; S151-S154 PolarHBondContact OG-N 3.06Å; S151-S154 PolarHBondContact OG-OG 2.86Å
152I77.5Confident65.2Low70 Ų7080.9 Ų80.936%0.35942%0.424SS..Hα-helixtrans-59.7-29.1177-65.7175.6000109.9S154 Y155 H156I152-S154 VanDerWaalsContact C-N 3.28Å; I152-S154 PolarHBondContact O-N 2.91Å; I152-Y155 WeakPolarHBondContact O-CB 3.41Å; I152-Y155 PolarHBondContact O-N 3.2Å; I152-Y155 VanDerWaalsContact O-N 3.1Å; I152-H156 VanDerWaalsContact CG2-CE1 3.41Å; I152-H156 WeakPolarHBondContact CG2-CE1 3.3Å; I152-H156 PolarHBondContact O-N 3Å; I152-H156 PolarHBondContact O-ND1 3.39Å
153E81.5Confident67.8Low129 Ų12978.6 Ų78.660%0.60340%0.404SS*.Hα-helixtrans-58.4-36.1175-64.971.8-161.700112.5S151 Y155 H156 R157S151-E153 WeakPolarHBondContact CB-OE2 3.4Å; S151-E153 PolarHBondContact O-N 2.99Å; E153-Y155 VanDerWaalsContact C-N 3.28Å; E153-Y155 PolarHBondContact O-N 3.22Å; E153-H156 PolarHBondContact O-N 3.49Å; E153-R157 WeakPolarHBondContact O-CB 3.32Å; E153-R157 PolarHBondContact O-N 3.22Å
154S84.8Confident70.3Confident14 Ų1476.1 Ų76.110%0.09839%0.394CS..Hα-helixtrans-62.3-37.1175.7-620000111.7P119 S151 I152 L158P119-S154 WeakPolarHBondContact CG-O 3.5Å; P119-S154 PolarHBondContact O-OG 2.94Å; S151-S154 WeakPolarHBondContact O-CB 3.43Å; S151-S154 PolarHBondContact O-N 3.29Å; S151-S154 PolarHBondContact OG-N 3.06Å; S151-S154 PolarHBondContact OG-OG 2.86Å; I152-S154 VanDerWaalsContact C-N 3.28Å; I152-S154 PolarHBondContact O-N 2.91Å; S154-L158 PolarHBondContact O-N 2.93Å; S154-L158 VanDerWaalsContact O-N 3.14Å
155Y87.3Confident72.3Confident5 Ų575.3 Ų75.32%0.0239%0.387CS..Hα-helixtrans-72.2-43.6177.9-65.4-90000111.7M100 V103 R104 C107 W118 L150 I152 E153 R157 L158 I159 L181M100-Y155 HydrophobicContact CE-CD2 4.43Å; M100-Y155 HydrophobicContact CE-CE1 4.39Å; M100-Y155 HydrophobicContact CE-CE2 3.68Å; V103-Y155 HydrophobicContact CB-CE1 4.48Å; V103-Y155 HydrophobicContact CG1-CD1 4.29Å; V103-Y155 HydrophobicContact CG1-CE1 3.85Å; R104-Y155 WeakPolarHBondContact CB-OH 3.46Å; C107-Y155 HydrophobicContact CB-CE1 4.47Å; W118-Y155 HydrophobicContact CH2-CD1 4.42Å; W118-Y155 HydrophobicContact CH2-CE1 4.36Å; L150-Y155 HydrophobicContact CB-CE2 4.25Å; I152-Y155 WeakPolarHBondContact O-CB 3.41Å; I152-Y155 PolarHBondContact O-N 3.2Å; I152-Y155 VanDerWaalsContact O-N 3.1Å; E153-Y155 VanDerWaalsContact C-N 3.28Å; E153-Y155 PolarHBondContact O-N 3.22Å; Y155-R157 VanDerWaalsContact C-N 3.26Å; Y155-R157 PolarHBondContact O-N 3.26Å; Y155-L158 WeakPolarHBondContact O-CB 3.49Å; Y155-L158 PolarHBondContact O-N 3.19Å; Y155-L158 VanDerWaalsContact O-N 3.13Å; Y155-I159 WeakPolarHBondContact O-CG1 3.44Å; Y155-I159 PolarHBondContact O-N 3.44Å; Y155-L181 HydrophobicContact CD1-CD2 4.42Å; Y155-L181 HydrophobicContact CG-CD2 4.25Å
156H88.4Confident74.3Confident64 Ų6476.1 Ų76.130%0.29639%0.392SS..Hα-helixtrans-60.1-38.2174.2-66.7119.6000111.6I152 E153 L158 I159 E160I152-H156 VanDerWaalsContact CG2-CE1 3.41Å; I152-H156 WeakPolarHBondContact CG2-CE1 3.3Å; I152-H156 PolarHBondContact O-N 3Å; I152-H156 PolarHBondContact O-ND1 3.39Å; E153-H156 PolarHBondContact O-N 3.49Å; H156-L158 VanDerWaalsContact C-N 3.35Å; H156-L158 PolarHBondContact O-N 2.91Å; H156-I159 WeakPolarHBondContact O-CB 3.43Å; H156-I159 PolarHBondContact O-N 2.98Å; H156-E160 WeakPolarHBondContact O-CG 3.5Å; H156-E160 PolarHBondContact O-N 3.36Å
157R87.1Confident75.8Confident160 Ų16075.6 Ų75.660%0.60439%0.389SS*.Hα-helixtrans-65.3-36.6175.6-174.1160.1170.8-164.96.5112.7P119 E153 Y155 E160 L161P119-R157 HydrophobicContact CB-CB 3.81Å; P119-R157 HydrophobicContact CB-CG 3.77Å; P119-R157 HydrophobicContact CG-CB 3.85Å; P119-R157 HydrophobicContact CG-CG 3.81Å; E153-R157 WeakPolarHBondContact O-CB 3.32Å; E153-R157 PolarHBondContact O-N 3.22Å; Y155-R157 VanDerWaalsContact C-N 3.26Å; Y155-R157 PolarHBondContact O-N 3.26Å; R157-E160 PolarHBondContact O-N 3.02Å; R157-L161 HydrophobicContact CG-CD1 4.3Å; R157-L161 VanDerWaalsContact O-CG 3.25Å; R157-L161 WeakPolarHBondContact O-CG 3.47Å; R157-L161 PolarHBondContact O-N 3.31Å
158L87.1Confident77.5Confident0 Ų074.2 Ų74.20%038%0.382CS..Hα-helixtrans-64.5-43.5172.517969.5000111.4C107 I116 W118 P119 S154 Y155 H156 E160 L161 L162 I177C107-L158 HydrophobicContact CB-CD2 3.7Å; I116-L158 HydrophobicContact CG2-CD1 4.02Å; W118-L158 HydrophobicContact CE3-CD2 4.49Å; W118-L158 HydrophobicContact CH2-CD2 3.78Å; W118-L158 HydrophobicContact CZ3-CD2 3.57Å; P119-L158 HydrophobicContact CG-CB 4.27Å; S154-L158 PolarHBondContact O-N 2.93Å; S154-L158 VanDerWaalsContact O-N 3.14Å; Y155-L158 WeakPolarHBondContact O-CB 3.49Å; Y155-L158 PolarHBondContact O-N 3.19Å; Y155-L158 VanDerWaalsContact O-N 3.13Å; H156-L158 VanDerWaalsContact C-N 3.35Å; H156-L158 PolarHBondContact O-N 2.91Å; L158-E160 VanDerWaalsContact C-N 3.32Å; L158-E160 PolarHBondContact O-N 3.04Å; L158-L161 PolarHBondContact O-N 3.01Å; L158-L162 HydrophobicContact CD1-CD1 4.44Å; L158-L162 HydrophobicContact CD1-CG 4.48Å; L158-L162 HydrophobicContact CG-CD1 4Å; L158-L162 HydrophobicContact CG-CG 4.48Å; L158-L162 WeakPolarHBondContact O-CB 3.26Å; L158-L162 WeakPolarHBondContact O-CG 3.37Å; L158-L162 PolarHBondContact O-N 3.04Å; L158-I177 HydrophobicContact CD2-CD1 4.22Å
159I89.1Confident79Confident2 Ų272.4 Ų72.41%0.0138%0.377CS..Hα-helixtrans-56.9-46.8176.7-71.3169.5000110.4Y155 H156 L162 K163 I177 Q178 L181Y155-I159 WeakPolarHBondContact O-CG1 3.44Å; Y155-I159 PolarHBondContact O-N 3.44Å; H156-I159 WeakPolarHBondContact O-CB 3.43Å; H156-I159 PolarHBondContact O-N 2.98Å; I159-L162 PolarHBondContact O-N 3.14Å; I159-K163 HydrophobicContact CG2-CD 4.39Å; I159-K163 WeakPolarHBondContact O-CG 3.37Å; I159-K163 PolarHBondContact O-N 3.29Å; I159-I177 HydrophobicContact CD1-CB 4.28Å; I159-I177 HydrophobicContact CD1-CG2 3.88Å; I159-I177 HydrophobicContact CG1-CB 4.13Å; I159-I177 HydrophobicContact CG1-CG2 3.93Å; I159-Q178 HydrophobicContact CD1-CB 4.23Å; I159-L181 HydrophobicContact CD1-CD1 3.88Å
160E87.8Confident80.2Confident84 Ų8466.7 Ų66.739%0.39334%0.338SS..Hα-helixtrans-65.4-42.5178-68.3-54.3120.800112.3H156 R157 L158 L162 K163 H164H156-E160 WeakPolarHBondContact O-CG 3.5Å; H156-E160 PolarHBondContact O-N 3.36Å; R157-E160 PolarHBondContact O-N 3.02Å; L158-E160 VanDerWaalsContact C-N 3.32Å; L158-E160 PolarHBondContact O-N 3.04Å; E160-L162 VanDerWaalsContact C-N 3.32Å; E160-L162 PolarHBondContact O-N 3.46Å; E160-K163 PolarHBondContact O-N 3.47Å; E160-K163 IonicContact OE1-NZ 3.14Å; E160-K163 PolarHBondContact OE1-NZ 3.31Å; E160-H164 PolarHBondContact O-N 3.37Å
161L85Confident81.1Confident58 Ų5867.3 Ų67.330%0.30434%0.344SS..Hα-helixtrans-61-40.7175.2-71.7169.1000112.2I116 P119 R157 L158 H164 T165I116-L161 HydrophobicContact CD1-CB 4.42Å; I116-L161 HydrophobicContact CG2-CB 3.65Å; I116-L161 HydrophobicContact CG2-CD1 3.57Å; I116-L161 HydrophobicContact CG2-CG 4.17Å; P119-L161 HydrophobicContact CG-CD1 4.22Å; R157-L161 HydrophobicContact CG-CD1 4.3Å; R157-L161 VanDerWaalsContact O-CG 3.25Å; R157-L161 WeakPolarHBondContact O-CG 3.47Å; R157-L161 PolarHBondContact O-N 3.31Å; L158-L161 PolarHBondContact O-N 3.01Å; L161-H164 PolarHBondContact O-N 2.83Å; L161-T165 PolarHBondContact O-N 3.45Å
162L83.2Confident81.8Confident0 Ų067.8 Ų67.80%035%0.347CS..Hα-helixtrans-63-45.2175.8-76.7164.4000111.5I110 F114 I116 L158 I159 E160 H164 T165 A170 I173 I177I110-L162 HydrophobicContact CG2-CD1 3.9Å; I110-L162 HydrophobicContact CG2-CD2 3.88Å; I110-L162 HydrophobicContact CG2-CG 4.48Å; F114-L162 HydrophobicContact CB-CD2 4.21Å; F114-L162 HydrophobicContact CD1-CD2 4.27Å; F114-L162 HydrophobicContact CD2-CD2 4.01Å; F114-L162 HydrophobicContact CG-CD2 3.87Å; I116-L162 HydrophobicContact CD1-CB 4.5Å; I116-L162 HydrophobicContact CD1-CD2 3.46Å; I116-L162 VanDerWaalsContact CD1-CD2 3.46Å; I116-L162 HydrophobicContact CD1-CG 3.8Å; L158-L162 HydrophobicContact CD1-CD1 4.44Å; L158-L162 HydrophobicContact CD1-CG 4.48Å; L158-L162 HydrophobicContact CG-CD1 4Å; L158-L162 HydrophobicContact CG-CG 4.48Å; L158-L162 WeakPolarHBondContact O-CB 3.26Å; L158-L162 WeakPolarHBondContact O-CG 3.37Å; L158-L162 PolarHBondContact O-N 3.04Å; I159-L162 PolarHBondContact O-N 3.14Å; E160-L162 VanDerWaalsContact C-N 3.32Å; E160-L162 PolarHBondContact O-N 3.46Å; L162-H164 VanDerWaalsContact C-N 3.27Å; L162-H164 PolarHBondContact O-N 3.44Å; L162-T165 WeakPolarHBondContact O-CB 3.11Å; L162-T165 PolarHBondContact O-N 3.36Å; L162-T165 VanDerWaalsContact O-N 3.15Å; L162-T165 PolarHBondContact O-OG1 2.83Å; L162-A170 HydrophobicContact CB-CB 4.41Å; L162-A170 HydrophobicContact CD2-CB 4.17Å; L162-A170 WeakPolarHBondContact O-CB 3.47Å; L162-I173 HydrophobicContact CD1-CG2 4.08Å; L162-I177 HydrophobicContact CD1-CD1 3.66Å
163K85.6Confident82.4Confident82 Ų8264.7 Ų64.736%0.35733%0.331SS..Hα-helixtrans-59.1-38.1176.5-71.2173.1-173.5167.50112.1I159 E160 T165 N166I159-K163 HydrophobicContact CG2-CD 4.39Å; I159-K163 WeakPolarHBondContact O-CG 3.37Å; I159-K163 PolarHBondContact O-N 3.29Å; E160-K163 PolarHBondContact O-N 3.47Å; E160-K163 IonicContact OE1-NZ 3.14Å; E160-K163 PolarHBondContact OE1-NZ 3.31Å; K163-T165 PolarHBondContact O-N 3.03Å; K163-N166 PolarHBondContact O-N 3.12Å
164H81.2Confident82.7Confident134 Ų13458.7 Ų58.762%0.6230%0.303SS*.Hα-helixtrans-71.5-11.7179.8-68.3-9.9000114.7E160 L161 L162 N166E160-H164 PolarHBondContact O-N 3.37Å; L161-H164 PolarHBondContact O-N 2.83Å; L162-H164 VanDerWaalsContact C-N 3.27Å; L162-H164 PolarHBondContact O-N 3.44Å; H164-N166 PolarHBondContact O-N 2.72Å
165T75Confident83.1Confident48 Ų4860.8 Ų60.829%0.29432%0.318SS..THydrogen-bonded Turntrans-70.5-17.1173.865.30000113.3I116 L161 L162 K163 L167 A170I116-T165 HydrophobicContact CD1-CG2 4.02Å; L161-T165 PolarHBondContact O-N 3.45Å; L162-T165 WeakPolarHBondContact O-CB 3.11Å; L162-T165 PolarHBondContact O-N 3.36Å; L162-T165 VanDerWaalsContact O-N 3.15Å; L162-T165 PolarHBondContact O-OG1 2.83Å; K163-T165 PolarHBondContact O-N 3.03Å; T165-L167 PolarHBondContact O-N 2.7Å; T165-L167 VanDerWaalsContact O-N 3.08Å; T165-A170 WeakPolarHBondContact OG1-CB 3.46Å
166N69.8Low83.4Confident141 Ų14160.7 Ų60.775%0.75432%0.318SS*.  trans55.816.8-175.1-64.1-32.9000115.1K163 H164K163-N166 PolarHBondContact O-N 3.12Å; H164-N166 PolarHBondContact O-N 2.72Å
167L74Confident83.6Confident86 Ų8657.6 Ų57.645%0.4530%0.304SS..  trans-85.2132.2173.5-66.6171.1000110.1F114 T165 D169 A170 V171F114-L167 HydrophobicContact CD1-CD1 4.34Å; F114-L167 HydrophobicContact CE1-CD1 4.2Å; T165-L167 PolarHBondContact O-N 2.7Å; T165-L167 VanDerWaalsContact O-N 3.08Å; L167-D169 PolarHBondContact O-N 2.75Å; L167-A170 HydrophobicContact CB-CB 4.04Å; L167-A170 WeakPolarHBondContact O-CB 3.49Å; L167-A170 PolarHBondContact O-N 3.03Å; L167-V171 PolarHBondContact O-N 2.78Å; L167-V171 VanDerWaalsContact O-N 3.16Å
168P74.6Confident83.8Confident97 Ų9752.4 Ų52.463%0.6329%0.286SS*.Hα-helixtrans-54.1-38.9179.4-27.534.7000113.9V171 S172P168-V171 PolarHBondContact O-N 2.94Å; P168-S172 PolarHBondContact O-N 2.85Å; P168-S172 VanDerWaalsContact O-N 3.16Å; P168-S172 PolarHBondContact O-OG 3.12Å; P168-S172 VanDerWaalsContact O-OG 3.04Å
169D75.7Confident84.1Confident116 Ų11657.1 Ų57.162%0.6231%0.308SS*.Hα-helixtrans-66.6-40.1178.8-60-22.1000111.3F114 L167 V171 S172 I173F114-D169 HydrophobicContact CZ-CB 4.45Å; L167-D169 PolarHBondContact O-N 2.75Å; D169-V171 PolarHBondContact O-N 3.11Å; D169-S172 PolarHBondContact O-N 3.49Å; D169-I173 WeakPolarHBondContact O-CB 3.49Å; D169-I173 WeakPolarHBondContact O-CD1 3.41Å; D169-I173 VanDerWaalsContact O-CG1 3.23Å; D169-I173 WeakPolarHBondContact O-CG1 3.25Å; D169-I173 PolarHBondContact O-N 3.42Å
170A77.8Confident84.3Confident0 Ų057 Ų570%031%0.308CS..Hα-helixtrans-66.2-37.117900000112.2F114 L162 T165 L167 I173 S174F114-A170 HydrophobicContact CD1-CB 4.18Å; F114-A170 HydrophobicContact CE1-CB 3.75Å; F114-A170 HydrophobicContact CZ-CB 4.34Å; L162-A170 HydrophobicContact CB-CB 4.41Å; L162-A170 HydrophobicContact CD2-CB 4.17Å; L162-A170 WeakPolarHBondContact O-CB 3.47Å; T165-A170 WeakPolarHBondContact OG1-CB 3.46Å; L167-A170 HydrophobicContact CB-CB 4.04Å; L167-A170 WeakPolarHBondContact O-CB 3.49Å; L167-A170 PolarHBondContact O-N 3.03Å; A170-I173 PolarHBondContact O-N 2.93Å; A170-S174 VanDerWaalsContact O-CB 3.29Å; A170-S174 WeakPolarHBondContact O-CB 3.34Å; A170-S174 PolarHBondContact O-N 3.12Å
171V79.9Confident84.5Confident67 Ų6753.4 Ų53.441%0.40629%0.291SS..Hα-helixtrans-64.5-44.4174.7177.20000110.6L167 P168 D169 S174 S175L167-V171 PolarHBondContact O-N 2.78Å; L167-V171 VanDerWaalsContact O-N 3.16Å; P168-V171 PolarHBondContact O-N 2.94Å; D169-V171 PolarHBondContact O-N 3.11Å; V171-S174 PolarHBondContact O-N 3.37Å; V171-S174 PolarHBondContact O-OG 3.46Å; V171-S175 PolarHBondContact O-N 3.39Å; V171-S175 VanDerWaalsContact O-N 3.08Å; V171-S175 PolarHBondContact O-OG 3Å
172S86.1Confident84.7Confident66 Ų6653.9 Ų53.946%0.46229%0.294SS..Hα-helixtrans-62.4-45.2177.4-57.80000111.6P168 D169 S175 A176P168-S172 PolarHBondContact O-N 2.85Å; P168-S172 VanDerWaalsContact O-N 3.16Å; P168-S172 PolarHBondContact O-OG 3.12Å; P168-S172 VanDerWaalsContact O-OG 3.04Å; D169-S172 PolarHBondContact O-N 3.49Å; S172-S175 PolarHBondContact O-N 2.97Å; S172-A176 PolarHBondContact O-N 3.45Å
173I88.8Confident84.9Confident6 Ų654.5 Ų54.53%0.03130%0.298CS..Hα-helixtrans-61.7-46.5175.3-70.3165.1000111I110 F114 L162 D169 A170 S175 A176 I177 L204 I208 L209I110-I173 HydrophobicContact CD1-CG2 3.64Å; I110-I173 HydrophobicContact CG1-CG2 4.08Å; I110-I173 HydrophobicContact CG2-CG2 3.83Å; F114-I173 HydrophobicContact CD2-CD1 4.5Å; F114-I173 HydrophobicContact CE2-CD1 3.33Å; F114-I173 HydrophobicContact CZ-CD1 3.45Å; F114-I173 VanDerWaalsContact CZ-CD1 3.45Å; L162-I173 HydrophobicContact CD1-CG2 4.08Å; D169-I173 WeakPolarHBondContact O-CB 3.49Å; D169-I173 WeakPolarHBondContact O-CD1 3.41Å; D169-I173 VanDerWaalsContact O-CG1 3.23Å; D169-I173 WeakPolarHBondContact O-CG1 3.25Å; D169-I173 PolarHBondContact O-N 3.42Å; A170-I173 PolarHBondContact O-N 2.93Å; I173-S175 VanDerWaalsContact C-N 3.26Å; I173-S175 PolarHBondContact O-N 3.44Å; I173-A176 PolarHBondContact O-N 3.44Å; I173-A176 VanDerWaalsContact O-N 3.11Å; I173-I177 HydrophobicContact CG2-CD1 3.9Å; I173-I177 HydrophobicContact CG2-CG1 4.26Å; I173-I177 WeakPolarHBondContact O-CG1 3.47Å; I173-I177 PolarHBondContact O-N 2.92Å; I173-L204 HydrophobicContact CG2-CD1 4.47Å; I173-I208 HydrophobicContact CB-CG2 4.47Å; I173-I208 HydrophobicContact CD1-CG2 4.37Å; I173-I208 HydrophobicContact CG1-CG2 3.39Å; I173-L209 HydrophobicContact CD1-CD2 4.23Å
174S89.4Confident84.9Confident2 Ų251.3 Ų51.31%0.01428%0.284CS..Hα-helixtrans-58.4-40-18078.80000112A170 V171 Q178A170-S174 VanDerWaalsContact O-CB 3.29Å; A170-S174 WeakPolarHBondContact O-CB 3.34Å; A170-S174 PolarHBondContact O-N 3.12Å; V171-S174 PolarHBondContact O-N 3.37Å; V171-S174 PolarHBondContact O-OG 3.46Å; S174-Q178 PolarHBondContact O-N 3.42Å
175S92.2Very high85Confident59 Ų5949.5 Ų49.541%0.41328%0.275SS..Hα-helixtrans-67.8-39.4177.2-58.40000111.6V171 S172 I173 Q178 Q179V171-S175 PolarHBondContact O-N 3.39Å; V171-S175 VanDerWaalsContact O-N 3.08Å; V171-S175 PolarHBondContact O-OG 3Å; S172-S175 PolarHBondContact O-N 2.97Å; I173-S175 VanDerWaalsContact C-N 3.26Å; I173-S175 PolarHBondContact O-N 3.44Å; S175-Q178 WeakPolarHBondContact O-CB 3.5Å; S175-Q178 PolarHBondContact O-N 3.09Å; S175-Q179 WeakPolarHBondContact O-CG 3.42Å; S175-Q179 PolarHBondContact O-N 3.02Å
176A92.7Very high85.1Confident2 Ų251.8 Ų51.82%0.01729%0.288CS..Hα-helixtrans-70.8-37.4177.500000113.2S172 I173 Q178 Q179 V180 L204 I208S172-A176 PolarHBondContact O-N 3.45Å; I173-A176 PolarHBondContact O-N 3.44Å; I173-A176 VanDerWaalsContact O-N 3.11Å; A176-Q178 VanDerWaalsContact C-N 3.3Å; A176-Q178 PolarHBondContact O-N 2.75Å; A176-Q179 PolarHBondContact O-N 3.3Å; A176-V180 WeakPolarHBondContact O-CG2 3.31Å; A176-V180 PolarHBondContact O-N 3.01Å; A176-V180 VanDerWaalsContact O-N 3.08Å; A176-L204 HydrophobicContact CB-CB 4.34Å; A176-L204 HydrophobicContact CB-CD1 3.83Å; A176-I208 HydrophobicContact CB-CD1 3.21Å
177I92.6Very high84.9Confident0 Ų045.2 Ų45.20%025%0.254CS..Hα-helixtrans-59.8-45170.2-61.3168.1000109.4I110 L158 I159 L162 I173 Q179 V180 L181 L204I110-I177 HydrophobicContact CD1-CD1 3.98Å; I110-I177 HydrophobicContact CD1-CG1 4.21Å; L158-I177 HydrophobicContact CD2-CD1 4.22Å; I159-I177 HydrophobicContact CD1-CB 4.28Å; I159-I177 HydrophobicContact CD1-CG2 3.88Å; I159-I177 HydrophobicContact CG1-CB 4.13Å; I159-I177 HydrophobicContact CG1-CG2 3.93Å; L162-I177 HydrophobicContact CD1-CD1 3.66Å; I173-I177 HydrophobicContact CG2-CD1 3.9Å; I173-I177 HydrophobicContact CG2-CG1 4.26Å; I173-I177 WeakPolarHBondContact O-CG1 3.47Å; I173-I177 PolarHBondContact O-N 2.92Å; I177-Q179 VanDerWaalsContact C-N 3.34Å; I177-Q179 PolarHBondContact O-N 3.44Å; I177-V180 WeakPolarHBondContact O-CB 3.44Å; I177-V180 PolarHBondContact O-N 3.24Å; I177-V180 VanDerWaalsContact O-N 3.14Å; I177-L181 HydrophobicContact CG2-CD1 4.34Å; I177-L181 HydrophobicContact CG2-CG 4.44Å; I177-L181 WeakPolarHBondContact O-CG 3.4Å; I177-L181 PolarHBondContact O-N 3.28Å; I177-L204 HydrophobicContact CG1-CD1 4.29Å; I177-L204 HydrophobicContact CG1-CD2 4.17Å
178Q93Very high84.9Confident51 Ų5143.9 Ų43.924%0.23825%0.245CC..Hα-helixtrans-58.7-44.5177.6-172.26256.700111.9I159 S174 S175 A176 V180 L181 D182I159-Q178 HydrophobicContact CD1-CB 4.23Å; S174-Q178 PolarHBondContact O-N 3.42Å; S175-Q178 WeakPolarHBondContact O-CB 3.5Å; S175-Q178 PolarHBondContact O-N 3.09Å; A176-Q178 VanDerWaalsContact C-N 3.3Å; A176-Q178 PolarHBondContact O-N 2.75Å; Q178-V180 VanDerWaalsContact C-N 3.29Å; Q178-V180 PolarHBondContact O-N 3.31Å; Q178-L181 PolarHBondContact O-N 2.69Å; Q178-L181 VanDerWaalsContact O-N 3.11Å; Q178-D182 PolarHBondContact NE2-OD1 3.39Å; Q178-D182 WeakPolarHBondContact O-CB 3.46Å; Q178-D182 VanDerWaalsContact O-CG 3.24Å; Q178-D182 PolarHBondContact O-N 3.06Å
179Q93.3Very high84.8Confident98 Ų9845.5 Ų45.546%0.45825%0.249SC..Hα-helixtrans-59.7-38176.2-72.3174.84.500112.9S175 A176 I177 D182 S183 P200S175-Q179 WeakPolarHBondContact O-CG 3.42Å; S175-Q179 PolarHBondContact O-N 3.02Å; A176-Q179 PolarHBondContact O-N 3.3Å; I177-Q179 VanDerWaalsContact C-N 3.34Å; I177-Q179 PolarHBondContact O-N 3.44Å; Q179-D182 PolarHBondContact O-N 3.14Å; Q179-S183 PolarHBondContact O-N 2.96Å; Q179-P200 HydrophobicContact CB-CB 4.43Å
180V92.5Very high84.5Confident1 Ų146.5 Ų46.51%0.00625%0.254CS..Hα-helixtrans-66.1-41.1174.5172.10000111.3V103 A176 I177 Q178 D182 S183 F184 F197 P200 I201 L204V103-V180 HydrophobicContact CB-CG1 4.38Å; V103-V180 HydrophobicContact CG1-CG1 3.96Å; V103-V180 HydrophobicContact CG2-CG1 3.5Å; V103-V180 VanDerWaalsContact CG2-CG1 3.5Å; A176-V180 WeakPolarHBondContact O-CG2 3.31Å; A176-V180 PolarHBondContact O-N 3.01Å; A176-V180 VanDerWaalsContact O-N 3.08Å; I177-V180 WeakPolarHBondContact O-CB 3.44Å; I177-V180 PolarHBondContact O-N 3.24Å; I177-V180 VanDerWaalsContact O-N 3.14Å; Q178-V180 VanDerWaalsContact C-N 3.29Å; Q178-V180 PolarHBondContact O-N 3.31Å; V180-D182 VanDerWaalsContact C-N 3.35Å; V180-S183 PolarHBondContact O-OG 2.8Å; V180-F184 PolarHBondContact O-N 3Å; V180-F184 VanDerWaalsContact O-N 3.12Å; V180-F197 HydrophobicContact CG1-CE2 4.27Å; V180-P200 HydrophobicContact CB-CB 4.38Å; V180-P200 HydrophobicContact CG2-CB 3.64Å; V180-I201 HydrophobicContact CG1-CD1 3.53Å; V180-I201 HydrophobicContact CG1-CG1 4.38Å; V180-I201 HydrophobicContact CG2-CD1 4.07Å; V180-L204 HydrophobicContact CG2-CB 4.29Å; V180-L204 HydrophobicContact CG2-CD2 4.08Å
181L91.1Very high84.5Confident7 Ų747.1 Ų47.14%0.03726%0.257CS..Hα-helixtrans-68.3-35.8176.7-63.3178.9000112M100 V103 Y155 I159 I177 Q178 F184 K185M100-L181 HydrophobicContact CE-CD2 4.46Å; V103-L181 HydrophobicContact CG1-CD2 4.48Å; Y155-L181 HydrophobicContact CD1-CD2 4.42Å; Y155-L181 HydrophobicContact CG-CD2 4.25Å; I159-L181 HydrophobicContact CD1-CD1 3.88Å; I177-L181 HydrophobicContact CG2-CD1 4.34Å; I177-L181 HydrophobicContact CG2-CG 4.44Å; I177-L181 WeakPolarHBondContact O-CG 3.4Å; I177-L181 PolarHBondContact O-N 3.28Å; Q178-L181 PolarHBondContact O-N 2.69Å; Q178-L181 VanDerWaalsContact O-N 3.11Å; L181-F184 WeakPolarHBondContact O-CB 3.45Å; L181-F184 PolarHBondContact O-N 2.9Å; L181-K185 PolarHBondContact O-N 3.32Å; L181-K185 VanDerWaalsContact O-N 3.12Å
182D89.7Confident84.4Confident68 Ų6848.8 Ų48.836%0.36427%0.268SS..Hα-helixtrans-70.5-40.6178.1-67.4-20.4000111.2Q178 Q179 V180 F184 K185 V186Q178-D182 PolarHBondContact NE2-OD1 3.39Å; Q178-D182 WeakPolarHBondContact O-CB 3.46Å; Q178-D182 VanDerWaalsContact O-CG 3.24Å; Q178-D182 PolarHBondContact O-N 3.06Å; Q179-D182 PolarHBondContact O-N 3.14Å; V180-D182 VanDerWaalsContact C-N 3.35Å; D182-F184 VanDerWaalsContact C-N 3.25Å; D182-F184 PolarHBondContact O-N 2.99Å; D182-K185 PolarHBondContact O-N 3.31Å; D182-K185 VanDerWaalsContact O-N 3.11Å; D182-V186 WeakPolarHBondContact O-CG2 3.46Å; D182-V186 PolarHBondContact O-N 2.86Å
183S88.5Confident84.3Confident13 Ų1347.1 Ų47.19%0.09126%0.256CS..Hα-helixtrans-63.7-33.6173.873.20000112.2Q179 V180 V186 G187 T196Q179-S183 PolarHBondContact O-N 2.96Å; V180-S183 PolarHBondContact O-OG 2.8Å; S183-V186 PolarHBondContact O-N 3.22Å; S183-G187 PolarHBondContact O-N 3.38Å; S183-T196 WeakPolarHBondContact CB-O 3.4Å
184F85.2Confident84.3Confident15 Ų1546.9 Ų46.97%0.06626%0.255CS..Hα-helixtrans-65.8-35.8172.7-175-95.5000113.1L95 K96 M100 V180 L181 D182 Q188L95-F184 HydrophobicContact CB-CE2 4.49Å; L95-F184 HydrophobicContact CD1-CD2 3.82Å; L95-F184 HydrophobicContact CD1-CE2 4.17Å; L95-F184 HydrophobicContact CD2-CD2 3.9Å; L95-F184 HydrophobicContact CD2-CE2 4.18Å; L95-F184 HydrophobicContact CG-CD2 3.55Å; L95-F184 HydrophobicContact CG-CE2 3.57Å; K96-F184 HydrophobicContact CG-CE2 4.39Å; K96-F184 HydrophobicContact CG-CZ 3.8Å; M100-F184 HydrophobicContact CG-CD2 4.05Å; M100-F184 HydrophobicContact CG-CE1 4.16Å; M100-F184 HydrophobicContact CG-CE2 3.31Å; M100-F184 HydrophobicContact CG-CZ 3.36Å; M100-F184 HydrophobicContact SD-CD1 4.05Å; M100-F184 HydrophobicContact SD-CD2 3.6Å; M100-F184 HydrophobicContact SD-CE1 3.94Å; M100-F184 HydrophobicContact SD-CE2 3.5Å; M100-F184 WeakPolarHBondContact SD-CE2 3.49Å; M100-F184 HydrophobicContact SD-CG 3.87Å; M100-F184 HydrophobicContact SD-CZ 3.66Å; V180-F184 PolarHBondContact O-N 3Å; V180-F184 VanDerWaalsContact O-N 3.12Å; L181-F184 WeakPolarHBondContact O-CB 3.45Å; L181-F184 PolarHBondContact O-N 2.9Å; D182-F184 VanDerWaalsContact C-N 3.25Å; D182-F184 PolarHBondContact O-N 2.99Å; F184-Q188 VanDerWaalsContact CD1-NE2 3.34Å; F184-Q188 WeakPolarHBondContact O-CG 3.46Å; F184-Q188 PolarHBondContact O-NE2 3.23Å
185K82.6Confident84.2Confident97 Ų9751.5 Ų51.542%0.42228%0.279SS..Hα-helixtrans-70.1-46.8174.2-72175-175.7167.40111.5L181 D182 G187 Q188L181-K185 PolarHBondContact O-N 3.32Å; L181-K185 VanDerWaalsContact O-N 3.12Å; D182-K185 PolarHBondContact O-N 3.31Å; D182-K185 VanDerWaalsContact O-N 3.11Å; K185-G187 VanDerWaalsContact C-N 3.29Å; K185-G187 PolarHBondContact O-N 3.14Å; K185-Q188 PolarHBondContact O-N 3.46Å; K185-Q188 VanDerWaalsContact O-N 3.14Å
186V77.6Confident83.9Confident95 Ų9552.4 Ų52.458%0.57628%0.282SS*.Hα-helixtrans-60.2-43.8177.3173.60000110.2D182 S183 Q188 N189D182-V186 WeakPolarHBondContact O-CG2 3.46Å; D182-V186 PolarHBondContact O-N 2.86Å; S183-V186 PolarHBondContact O-N 3.22Å; V186-Q188 PolarHBondContact O-N 3.26Å; V186-Q188 VanDerWaalsContact O-N 3.08Å; V186-N189 PolarHBondContact O-N 3.24Å; V186-N189 VanDerWaalsContact O-N 3.12Å
187G66.2Low83.8Confident3 Ų352.4 Ų52.43%0.03128%0.282CS..THydrogen-bonded Turntrans-67-0.8177.400000115.1S183 K185 L191S183-G187 PolarHBondContact O-N 3.38Å; K185-G187 VanDerWaalsContact C-N 3.29Å; K185-G187 PolarHBondContact O-N 3.14Å; G187-L191 WeakPolarHBondContact O-CD1 3.43Å; G187-L191 WeakPolarHBondContact O-CD2 3.31Å; G187-L191 WeakPolarHBondContact O-CG 3.4Å
188Q74.1Confident83.8Confident59 Ų5953.2 Ų53.228%0.27629%0.286SS..THydrogen-bonded Turntrans-87.9-10.4170.6-74.917863.400112.9F184 K185 V186F184-Q188 VanDerWaalsContact CD1-NE2 3.34Å; F184-Q188 WeakPolarHBondContact O-CG 3.46Å; F184-Q188 PolarHBondContact O-NE2 3.23Å; K185-Q188 PolarHBondContact O-N 3.46Å; K185-Q188 VanDerWaalsContact O-N 3.14Å; V186-Q188 PolarHBondContact O-N 3.26Å; V186-Q188 VanDerWaalsContact O-N 3.08Å
189N70.9Confident83.7Confident131 Ų13155.6 Ų55.670%0.70130%0.304SS*.SBendtrans-103.398.2-177.9-62.6-24.4000109.8V186V186-N189 PolarHBondContact O-N 3.24Å; V186-N189 VanDerWaalsContact O-N 3.12Å
190N69.3Low83.7Confident137 Ų13751.9 Ų51.973%0.73329%0.288SS*.SBendtrans53.376.2175.2-70.2-17.4000115.4N88N88-N190 PolarHBondContact ND2-OD1 3.38Å; N88-N190 VanDerWaalsContact ND2-OD1 3.14Å
191L77.9Confident83.7Confident12 Ų1251.8 Ų51.86%0.06329%0.287CS..  trans-78.5129.9175.3-70.5171.6000112N88 L91 I92 L95 G187 S193 L194N88-L191 PolarHBondContact OD1-N 2.77Å; L91-L191 HydrophobicContact CB-CB 3.89Å; L91-L191 HydrophobicContact CB-CD1 3.79Å; L91-L191 HydrophobicContact CD1-CB 3.93Å; I92-L191 HydrophobicContact CG1-CD1 3.99Å; L95-L191 HydrophobicContact CD2-CD1 4.23Å; G187-L191 WeakPolarHBondContact O-CD1 3.43Å; G187-L191 WeakPolarHBondContact O-CD2 3.31Å; G187-L191 WeakPolarHBondContact O-CG 3.4Å; L191-S193 WeakPolarHBondContact CD2-O 3.47Å; L191-L194 HydrophobicContact CD1-CD2 3.79Å; L191-L194 HydrophobicContact CD2-CD2 4.31Å
192T77.8Confident83.9Confident103 Ų10355.3 Ų55.363%0.63230%0.302SS*.SBendtrans-102.4-27.6159.854.10000112.2
193S84.8Confident84Confident31 Ų3154.4 Ų54.422%0.21730%0.297CS..  trans-155.2167.8176.168.90000110.7E75 L191 D195E75-S193 WeakPolarHBondContact OE1-CA 3.37Å; L191-S193 WeakPolarHBondContact CD2-O 3.47Å; S193-D195 WeakPolarHBondContact CB-OD2 3.07Å; S193-D195 PolarHBondContact OG-OD2 3.2Å
194L89.3Confident84.2Confident1 Ų153.8 Ų53.81%0.00529%0.293CS..SBendtrans-96.313.8176.9-58.5-174.9000113L71 E75 L91 L94 L95 L191 T196 F197 Y198L71-L194 HydrophobicContact CD1-CD1 3.81Å; L71-L194 HydrophobicContact CG-CD1 4.15Å; E75-L194 HydrophobicContact CB-CD1 4.38Å; E75-L194 HydrophobicContact CG-CD1 4.38Å; E75-L194 HydrophobicContact CG-CG 4.25Å; E75-L194 PolarHBondContact OE1-N 3.1Å; L91-L194 HydrophobicContact CD2-CG 4.45Å; L94-L194 HydrophobicContact CD2-CD1 3.73Å; L94-L194 HydrophobicContact CG-CD1 4.14Å; L95-L194 HydrophobicContact CB-CD2 4.13Å; L95-L194 HydrophobicContact CD1-CD2 4.36Å; L191-L194 HydrophobicContact CD1-CD2 3.79Å; L191-L194 HydrophobicContact CD2-CD2 4.31Å; L194-T196 VanDerWaalsContact C-N 3.27Å; L194-T196 PolarHBondContact O-N 3.42Å; L194-F197 WeakPolarHBondContact O-CA 3.43Å; L194-F197 VanDerWaalsContact O-CB 3.32Å; L194-F197 WeakPolarHBondContact O-CB 3.28Å; L194-F197 PolarHBondContact O-N 2.88Å; L194-Y198 HydrophobicContact CB-CD2 4.32Å; L194-Y198 HydrophobicContact CB-CE2 3.75Å; L194-Y198 VanDerWaalsContact O-CD2 3.28Å; L194-Y198 WeakPolarHBondContact O-CD2 3.28Å; L194-Y198 PolarHBondContact O-N 3.4Å
195D86.9Confident84.5Confident98 Ų9853 Ų5352%0.52429%0.29SS..Hα-helixtrans-56.9-38.7-177.3-66.9-44.5000113.4S193 F197 Y198 T199S193-D195 WeakPolarHBondContact CB-OD2 3.07Å; S193-D195 PolarHBondContact OG-OD2 3.2Å; D195-F197 PolarHBondContact O-N 3.36Å; D195-Y198 PolarHBondContact O-N 2.84Å; D195-T199 PolarHBondContact O-N 3.1Å; D195-T199 PolarHBondContact O-OG1 3.3Å
196T86.5Confident84.8Confident78 Ų7849.5 Ų49.548%0.47928%0.276SS..Hα-helixtrans-67-22.8177.256.90000112.6S183 L194 P200S183-T196 WeakPolarHBondContact CB-O 3.4Å; L194-T196 VanDerWaalsContact C-N 3.27Å; L194-T196 PolarHBondContact O-N 3.42Å; T196-P200 WeakPolarHBondContact O-CD 3.32Å
197F90.1Very high85.3Confident3 Ų350 Ų501%0.01328%0.276CS..Hα-helixtrans-84.8-39.9174.7176.9-103.9000111.9L71 L95 V103 V180 L194 D195 T199 P200 I201L71-F197 HydrophobicContact CD2-CD1 4.09Å; L71-F197 HydrophobicContact CD2-CE1 3.74Å; L95-F197 HydrophobicContact CD1-CB 4.08Å; L95-F197 HydrophobicContact CD1-CD1 3.86Å; L95-F197 HydrophobicContact CD1-CD2 3.58Å; L95-F197 HydrophobicContact CD1-CE1 4.16Å; L95-F197 HydrophobicContact CD1-CE2 3.9Å; L95-F197 HydrophobicContact CD1-CG 3.55Å; L95-F197 HydrophobicContact CD1-CZ 4.18Å; V103-F197 HydrophobicContact CG2-CE2 4.16Å; V103-F197 HydrophobicContact CG2-CZ 4.1Å; V180-F197 HydrophobicContact CG1-CE2 4.27Å; L194-F197 WeakPolarHBondContact O-CA 3.43Å; L194-F197 VanDerWaalsContact O-CB 3.32Å; L194-F197 WeakPolarHBondContact O-CB 3.28Å; L194-F197 PolarHBondContact O-N 2.88Å; D195-F197 PolarHBondContact O-N 3.36Å; F197-T199 VanDerWaalsContact C-N 3.31Å; F197-T199 PolarHBondContact O-N 3.25Å; F197-P200 WeakPolarHBondContact O-CD 3.49Å; F197-I201 HydrophobicContact CD1-CG1 4.14Å; F197-I201 HydrophobicContact CD2-CG1 4.36Å; F197-I201 HydrophobicContact CE1-CD1 4.2Å; F197-I201 HydrophobicContact CE1-CG1 3.72Å; F197-I201 HydrophobicContact CE2-CD1 4Å; F197-I201 HydrophobicContact CE2-CG1 3.96Å; F197-I201 HydrophobicContact CG-CG1 4.45Å; F197-I201 HydrophobicContact CZ-CD1 3.65Å; F197-I201 HydrophobicContact CZ-CG1 3.62Å; F197-I201 VanDerWaalsContact O-CG1 3.28Å; F197-I201 WeakPolarHBondContact O-CG1 3.38Å; F197-I201 PolarHBondContact O-N 2.86Å
198Y91.8Very high86.2Confident17 Ų1752.7 Ų52.77%0.06729%0.289CS..Hα-helixtrans-63.4-34.8-179.1-69.4-53000113.7V68 L71 Q72 E75 L194 D195 I201 K202 F216V68-Y198 HydrophobicContact CG1-CE1 4.34Å; L71-Y198 HydrophobicContact CD2-CE1 3.7Å; L71-Y198 HydrophobicContact CG-CE1 4.12Å; L71-Y198 WeakPolarHBondContact CG-OH 3.44Å; Q72-Y198 WeakPolarHBondContact CA-OH 3.4Å; Q72-Y198 HydrophobicContact CG-CE1 3.84Å; Q72-Y198 HydrophobicContact CG-CE2 4.28Å; Q72-Y198 WeakPolarHBondContact CG-OH 3.18Å; Q72-Y198 PolarHBondContact N-OH 3.02Å; E75-Y198 VanDerWaalsContact OE2-CE2 3.22Å; E75-Y198 WeakPolarHBondContact OE2-CE2 3.22Å; E75-Y198 PolarHBondContact OE2-OH 3.2Å; E75-Y198 VanDerWaalsContact OE2-OH 3.1Å; L194-Y198 HydrophobicContact CB-CD2 4.32Å; L194-Y198 HydrophobicContact CB-CE2 3.75Å; L194-Y198 VanDerWaalsContact O-CD2 3.28Å; L194-Y198 WeakPolarHBondContact O-CD2 3.28Å; L194-Y198 PolarHBondContact O-N 3.4Å; D195-Y198 PolarHBondContact O-N 2.84Å; Y198-I201 PolarHBondContact O-N 3.08Å; Y198-K202 WeakPolarHBondContact O-CB 3.36Å; Y198-K202 PolarHBondContact O-N 3.32Å; Y198-F216 AromaticContact CD1-CE1 3.92Å; Y198-F216 HydrophobicContact CD1-CE1 3.92Å; Y198-F216 HydrophobicContact CD1-CZ 4.3Å; Y198-F216 HydrophobicContact CG-CE1 4.28Å
199T91.3Very high86.8Confident101 Ų10150.4 Ų50.462%0.6228%0.279SS*.Hα-helixtrans-64.2-52.1-176.1-60.50000112.4D195 F197 I201 K202 N203D195-T199 PolarHBondContact O-N 3.1Å; D195-T199 PolarHBondContact O-OG1 3.3Å; F197-T199 VanDerWaalsContact C-N 3.31Å; F197-T199 PolarHBondContact O-N 3.25Å; T199-I201 VanDerWaalsContact C-N 3.34Å; T199-I201 PolarHBondContact O-N 3.05Å; T199-K202 PolarHBondContact O-N 3.14Å; T199-N203 PolarHBondContact O-N 3.48Å
200P92.9Very high87.4Confident19 Ų1946 Ų4612%0.12326%0.264CS..Hα-helixtrans-62.1-36.1173.4-26.937.3000114Q179 V180 T196 F197 N203 L204Q179-P200 HydrophobicContact CB-CB 4.43Å; V180-P200 HydrophobicContact CB-CB 4.38Å; V180-P200 HydrophobicContact CG2-CB 3.64Å; T196-P200 WeakPolarHBondContact O-CD 3.32Å; F197-P200 WeakPolarHBondContact O-CD 3.49Å; P200-N203 PolarHBondContact O-N 3.03Å; P200-L204 WeakPolarHBondContact O-CB 3.45Å; P200-L204 PolarHBondContact O-N 3.23Å
201I93.8Very high88.3Confident0 Ų039.6 Ų39.60%023%0.23CC..Hα-helixtrans-64.1-43.1176.6-67.3-70000111.1I102 V103 L106 V180 F197 Y198 T199 L204 S205 F216I102-I201 HydrophobicContact CG2-CD1 4.37Å; I102-I201 HydrophobicContact CG2-CG2 4.22Å; V103-I201 HydrophobicContact CG2-CD1 3.94Å; L106-I201 HydrophobicContact CD1-CD1 4.4Å; L106-I201 HydrophobicContact CD1-CG2 4.48Å; V180-I201 HydrophobicContact CG1-CD1 3.53Å; V180-I201 HydrophobicContact CG1-CG1 4.38Å; V180-I201 HydrophobicContact CG2-CD1 4.07Å; F197-I201 HydrophobicContact CD1-CG1 4.14Å; F197-I201 HydrophobicContact CD2-CG1 4.36Å; F197-I201 HydrophobicContact CE1-CD1 4.2Å; F197-I201 HydrophobicContact CE1-CG1 3.72Å; F197-I201 HydrophobicContact CE2-CD1 4Å; F197-I201 HydrophobicContact CE2-CG1 3.96Å; F197-I201 HydrophobicContact CG-CG1 4.45Å; F197-I201 HydrophobicContact CZ-CD1 3.65Å; F197-I201 HydrophobicContact CZ-CG1 3.62Å; F197-I201 VanDerWaalsContact O-CG1 3.28Å; F197-I201 WeakPolarHBondContact O-CG1 3.38Å; F197-I201 PolarHBondContact O-N 2.86Å; Y198-I201 PolarHBondContact O-N 3.08Å; T199-I201 VanDerWaalsContact C-N 3.34Å; T199-I201 PolarHBondContact O-N 3.05Å; I201-L204 PolarHBondContact O-N 2.63Å; I201-S205 VanDerWaalsContact O-CB 3.31Å; I201-S205 WeakPolarHBondContact O-CB 3.44Å; I201-S205 PolarHBondContact O-N 2.94Å; I201-S205 PolarHBondContact O-OG 3.39Å; I201-F216 HydrophobicContact CB-CZ 4.31Å; I201-F216 HydrophobicContact CG2-CE2 3.92Å; I201-F216 HydrophobicContact CG2-CZ 3.72Å
202K94.1Very high88.7Confident81 Ų8143 Ų4335%0.35225%0.251SS..Hα-helixtrans-60.5-48.4174.9180-176.4175.3177.30110.7Y198 T199 L204 S205 V206 D207 F216Y198-K202 WeakPolarHBondContact O-CB 3.36Å; Y198-K202 PolarHBondContact O-N 3.32Å; T199-K202 PolarHBondContact O-N 3.14Å; K202-L204 PolarHBondContact O-N 2.91Å; K202-S205 PolarHBondContact O-N 3.05Å; K202-V206 HydrophobicContact CG-CB 4.42Å; K202-V206 HydrophobicContact CG-CG2 4.24Å; K202-V206 WeakPolarHBondContact O-CA 3.4Å; K202-V206 WeakPolarHBondContact O-CB 3.45Å; K202-V206 PolarHBondContact O-N 2.96Å; K202-D207 PolarHBondContact O-N 3.16Å; K202-F216 HydrophobicContact CB-CD1 4.14Å; K202-F216 HydrophobicContact CB-CD2 3.98Å; K202-F216 HydrophobicContact CB-CE1 4.34Å; K202-F216 HydrophobicContact CB-CE2 4.19Å; K202-F216 HydrophobicContact CB-CG 3.97Å; K202-F216 HydrophobicContact CB-CZ 4.36Å; K202-F216 HydrophobicContact CD-CB 3.97Å; K202-F216 HydrophobicContact CD-CG 4.26Å; K202-F216 HydrophobicContact CG-CB 3.96Å; K202-F216 HydrophobicContact CG-CD1 4.45Å; K202-F216 HydrophobicContact CG-CD2 4.11Å; K202-F216 HydrophobicContact CG-CG 3.94Å
203N92.2Very high89.1Confident48 Ų4838.1 Ų38.126%0.25722%0.221SC..Iπ-helixtrans-57.1-49.8178.1-176.846.6000111.7T199 P200 D207 I208T199-N203 PolarHBondContact O-N 3.48Å; P200-N203 PolarHBondContact O-N 3.03Å; N203-D207 WeakPolarHBondContact CA-OD2 3.26Å; N203-D207 WeakPolarHBondContact O-CB 3.46Å; N203-D207 PolarHBondContact O-N 3.06Å; N203-I208 PolarHBondContact O-N 3.39Å
204L93Very high89Confident0 Ų039.9 Ų39.90%023%0.233CC..Iπ-helixtrans-62.9-50.7178.9178.361000112.2L106 I110 I173 A176 I177 V180 P200 I201 K202 L209L106-L204 HydrophobicContact CB-CD2 4.43Å; L106-L204 HydrophobicContact CD1-CD2 4.1Å; L106-L204 HydrophobicContact CD1-CG 4.48Å; I110-L204 HydrophobicContact CD1-CD1 4.17Å; I173-L204 HydrophobicContact CG2-CD1 4.47Å; A176-L204 HydrophobicContact CB-CB 4.34Å; A176-L204 HydrophobicContact CB-CD1 3.83Å; I177-L204 HydrophobicContact CG1-CD1 4.29Å; I177-L204 HydrophobicContact CG1-CD2 4.17Å; V180-L204 HydrophobicContact CG2-CB 4.29Å; V180-L204 HydrophobicContact CG2-CD2 4.08Å; P200-L204 WeakPolarHBondContact O-CB 3.45Å; P200-L204 PolarHBondContact O-N 3.23Å; I201-L204 PolarHBondContact O-N 2.63Å; K202-L204 PolarHBondContact O-N 2.91Å; L204-L209 HydrophobicContact CG-CD1 4.48Å; L204-L209 VanDerWaalsContact O-CG 3.26Å; L204-L209 WeakPolarHBondContact O-CG 3.46Å; L204-L209 PolarHBondContact O-N 2.96Å; L204-L209 VanDerWaalsContact O-N 3.08Å
205S91.9Very high88.6Confident0 Ų040.5 Ų40.50%024%0.237CC..Iπ-helixtrans-76.9-45.8-172.660.20000114I201 K202 L209 G210 L211I201-S205 VanDerWaalsContact O-CB 3.31Å; I201-S205 WeakPolarHBondContact O-CB 3.44Å; I201-S205 PolarHBondContact O-N 2.94Å; I201-S205 PolarHBondContact O-OG 3.39Å; K202-S205 PolarHBondContact O-N 3.05Å; S205-L209 WeakPolarHBondContact O-CB 3.45Å; S205-G210 PolarHBondContact O-N 3.02Å; S205-L211 WeakPolarHBondContact O-CB 3.3Å; S205-L211 WeakPolarHBondContact O-CG 3.49Å; S205-L211 PolarHBondContact O-N 3.19Å
206V89.5Confident88.3Confident23 Ų2336.9 Ų36.914%0.13922%0.217CC..Iπ-helixtrans-89.7-55.2-174.2-177.70000110.2K202 G210 I213 F216K202-V206 HydrophobicContact CG-CB 4.42Å; K202-V206 HydrophobicContact CG-CG2 4.24Å; K202-V206 WeakPolarHBondContact O-CA 3.4Å; K202-V206 WeakPolarHBondContact O-CB 3.45Å; K202-V206 PolarHBondContact O-N 2.96Å; V206-G210 WeakPolarHBondContact O-CA 3.49Å; V206-G210 PolarHBondContact O-N 2.75Å; V206-G210 VanDerWaalsContact O-N 3.1Å; V206-I213 HydrophobicContact CG2-CB 3.99Å; V206-I213 HydrophobicContact CG2-CG1 4.18Å; V206-F216 HydrophobicContact CG2-CD2 4.12Å
207D86.7Confident87.5Confident105 Ų10537.2 Ų37.256%0.56121%0.213SC*.Iπ-helixtrans-77.9-35.3-167.8-55.8-36.2000112.1K202 N203K202-D207 PolarHBondContact O-N 3.16Å; N203-D207 WeakPolarHBondContact CA-OD2 3.26Å; N203-D207 WeakPolarHBondContact O-CB 3.46Å; N203-D207 PolarHBondContact O-N 3.06Å
208I85.2Confident86Confident59 Ų5941.7 Ų41.730%0.30324%0.242SC..Iπ-helixtrans-95.6-50.9-177.6-63.8171.9000112.2I173 A176 N203I173-I208 HydrophobicContact CB-CG2 4.47Å; I173-I208 HydrophobicContact CD1-CG2 4.37Å; I173-I208 HydrophobicContact CG1-CG2 3.39Å; A176-I208 HydrophobicContact CB-CD1 3.21Å; N203-I208 PolarHBondContact O-N 3.39Å
209L86.2Confident84.2Confident12 Ų1244.6 Ų44.66%0.06326%0.263CS..THydrogen-bonded Turntrans-83.6-11.5-179.3-62.4174000113.6K57 L106 I110 I173 L204 S205 L211K57-L209 PolarHBondContact NZ-O 3.06Å; L106-L209 HydrophobicContact CD2-CD1 4.04Å; I110-L209 HydrophobicContact CD1-CD1 4.11Å; I110-L209 HydrophobicContact CD1-CD2 4.31Å; I110-L209 HydrophobicContact CG1-CD1 4.07Å; I110-L209 HydrophobicContact CG1-CD2 3.76Å; I173-L209 HydrophobicContact CD1-CD2 4.23Å; L204-L209 HydrophobicContact CG-CD1 4.48Å; L204-L209 VanDerWaalsContact O-CG 3.26Å; L204-L209 WeakPolarHBondContact O-CG 3.46Å; L204-L209 PolarHBondContact O-N 2.96Å; L204-L209 VanDerWaalsContact O-N 3.08Å; S205-L209 WeakPolarHBondContact O-CB 3.45Å; L209-L211 VanDerWaalsContact C-N 3.28Å; L209-L211 HydrophobicContact CB-CD1 4.46Å; L209-L211 HydrophobicContact CB-CG 4.06Å; L209-L211 HydrophobicContact CD1-CD1 4.39Å; L209-L211 PolarHBondContact O-N 3.23Å
210G83.9Confident82.1Confident38 Ų3846.2 Ų46.239%0.39227%0.268SS..  trans63.531.7-17900000113.3K57 S205 V206K57-G210 WeakPolarHBondContact CE-O 3.25Å; K57-G210 PolarHBondContact NZ-O 3.35Å; S205-G210 PolarHBondContact O-N 3.02Å; V206-G210 WeakPolarHBondContact O-CA 3.49Å; V206-G210 PolarHBondContact O-N 2.75Å; V206-G210 VanDerWaalsContact O-N 3.1Å
211L87.7Confident79.8Confident2 Ų250.2 Ų50.21%0.0130%0.297CS..  trans-78.8137.7173.1-57.2176000109.9K57 T60 Q61 L106 S205 L209 I213K57-L211 HydrophobicContact CD-CD2 4.45Å; K57-L211 HydrophobicContact CG-CD2 3.68Å; T60-L211 HydrophobicContact CG2-CD1 4.21Å; Q61-L211 HydrophobicContact CB-CD2 4.43Å; L106-L211 HydrophobicContact CD2-CD1 3.67Å; S205-L211 WeakPolarHBondContact O-CB 3.3Å; S205-L211 WeakPolarHBondContact O-CG 3.49Å; S205-L211 PolarHBondContact O-N 3.19Å; L209-L211 VanDerWaalsContact C-N 3.28Å; L209-L211 HydrophobicContact CB-CD1 4.46Å; L209-L211 HydrophobicContact CB-CG 4.06Å; L209-L211 HydrophobicContact CD1-CD1 4.39Å; L209-L211 PolarHBondContact O-N 3.23Å; L211-I213 HydrophobicContact CB-CD1 4Å; L211-I213 HydrophobicContact CB-CG1 3.98Å; L211-I213 PolarHBondContact O-N 3.34Å; L211-I213 VanDerWaalsContact O-N 3.14Å
212T87.3Confident77.8Confident84 Ų8459.2 Ų59.252%0.51534%0.338SS..  trans-87.183.2175-50.70000110.4Q61 S214Q61-T212 WeakPolarHBondContact CG-O 3.18Å; Q61-T212 PolarHBondContact NE2-O 3.36Å; T212-S214 PolarHBondContact O-N 3.37Å
213I85.3Confident76.2Confident0 Ų059.2 Ų59.20%034%0.342CS..  trans-90.996.4178.5-54.2-57.9000109.5Q61 V64 N65 V206 L211 V215 F216 H217Q61-I213 HydrophobicContact CG-CD1 4.07Å; V64-I213 HydrophobicContact CB-CD1 3.92Å; V64-I213 HydrophobicContact CG1-CD1 3.69Å; V64-I213 HydrophobicContact CG1-CG1 4.3Å; N65-I213 HydrophobicContact CB-CD1 4.25Å; N65-I213 HydrophobicContact CB-CG2 4.44Å; V206-I213 HydrophobicContact CG2-CB 3.99Å; V206-I213 HydrophobicContact CG2-CG1 4.18Å; L211-I213 HydrophobicContact CB-CD1 4Å; L211-I213 HydrophobicContact CB-CG1 3.98Å; L211-I213 PolarHBondContact O-N 3.34Å; L211-I213 VanDerWaalsContact O-N 3.14Å; I213-V215 HydrophobicContact CG2-CG2 3.56Å; I213-V215 PolarHBondContact O-N 3.32Å; I213-F216 HydrophobicContact CB-CD2 3.85Å; I213-F216 HydrophobicContact CB-CE2 4.4Å; I213-F216 HydrophobicContact CG2-CD2 3.44Å; I213-F216 VanDerWaalsContact CG2-CD2 3.44Å; I213-F216 HydrophobicContact CG2-CE2 3.73Å; I213-F216 HydrophobicContact CG2-CG 4.34Å; I213-F216 PolarHBondContact O-N 3.1Å; I213-H217 PolarHBondContact O-CE1 2.95Å; I213-H217 PolarHBondContact O-ND1 3.41Å
214S82.9Confident75.4Confident68 Ų6863 Ų6348%0.47636%0.363SS..G310 helixtrans-61.1-29.1-169.662.50000113.9N65 T212 F216 H217N65-S214 PolarHBondContact ND2-OG 3.35Å; N65-S214 PolarHBondContact OD1-N 3.06Å; N65-S214 PolarHBondContact OD1-OG 2.91Å; T212-S214 PolarHBondContact O-N 3.37Å; S214-F216 VanDerWaalsContact C-N 3.27Å; S214-F216 PolarHBondContact O-N 3.32Å; S214-H217 PolarHBondContact O-N 3.02Å; S214-H217 VanDerWaalsContact O-N 3.15Å
215V81.8Confident74.9Confident14 Ų1469.4 Ų69.49%0.08539%0.39CS..G310 helixtrans-66.6-23.7-179.9-65.40000114.6N65 V68 L69 I213N65-V215 PolarHBondContact OD1-N 3.38Å; V68-V215 HydrophobicContact CB-CG2 3.81Å; V68-V215 HydrophobicContact CG1-CG2 3.42Å; V68-V215 VanDerWaalsContact CG1-CG2 3.42Å; L69-V215 HydrophobicContact CB-CG1 3.86Å; L69-V215 HydrophobicContact CD1-CG1 3.85Å; L69-V215 HydrophobicContact CG-CG1 4.34Å; I213-V215 HydrophobicContact CG2-CG2 3.56Å; I213-V215 PolarHBondContact O-N 3.32Å
216F80.5Confident74.4Confident22 Ų2273 Ų7310%0.09640%0.404CS..G310 helixtrans-87.3-10.3175.4-68.1-48.9000113.9V68 Y198 I201 K202 V206 I213 S214V68-F216 HydrophobicContact CG1-CE1 3.9Å; V68-F216 HydrophobicContact CG1-CE2 4.16Å; V68-F216 HydrophobicContact CG1-CZ 3.57Å; V68-F216 HydrophobicContact CG2-CE2 4.28Å; V68-F216 HydrophobicContact CG2-CZ 4.15Å; Y198-F216 AromaticContact CD1-CE1 3.92Å; Y198-F216 HydrophobicContact CD1-CE1 3.92Å; Y198-F216 HydrophobicContact CD1-CZ 4.3Å; Y198-F216 HydrophobicContact CG-CE1 4.28Å; I201-F216 HydrophobicContact CB-CZ 4.31Å; I201-F216 HydrophobicContact CG2-CE2 3.92Å; I201-F216 HydrophobicContact CG2-CZ 3.72Å; K202-F216 HydrophobicContact CB-CD1 4.14Å; K202-F216 HydrophobicContact CB-CD2 3.98Å; K202-F216 HydrophobicContact CB-CE1 4.34Å; K202-F216 HydrophobicContact CB-CE2 4.19Å; K202-F216 HydrophobicContact CB-CG 3.97Å; K202-F216 HydrophobicContact CB-CZ 4.36Å; K202-F216 HydrophobicContact CD-CB 3.97Å; K202-F216 HydrophobicContact CD-CG 4.26Å; K202-F216 HydrophobicContact CG-CB 3.96Å; K202-F216 HydrophobicContact CG-CD1 4.45Å; K202-F216 HydrophobicContact CG-CD2 4.11Å; K202-F216 HydrophobicContact CG-CG 3.94Å; V206-F216 HydrophobicContact CG2-CD2 4.12Å; I213-F216 HydrophobicContact CB-CD2 3.85Å; I213-F216 HydrophobicContact CB-CE2 4.4Å; I213-F216 HydrophobicContact CG2-CD2 3.44Å; I213-F216 VanDerWaalsContact CG2-CD2 3.44Å; I213-F216 HydrophobicContact CG2-CE2 3.73Å; I213-F216 HydrophobicContact CG2-CG 4.34Å; I213-F216 PolarHBondContact O-N 3.1Å; S214-F216 VanDerWaalsContact C-N 3.27Å; S214-F216 PolarHBondContact O-N 3.32Å
217H69.2Low74.2Confident85 Ų8575.9 Ų75.939%0.39442%0.416SS..SBendtrans-81133.4176.8-66.973.3000108.2I213 S214I213-H217 PolarHBondContact O-CE1 2.95Å; I213-H217 PolarHBondContact O-ND1 3.41Å; S214-H217 PolarHBondContact O-N 3.02Å; S214-H217 VanDerWaalsContact O-N 3.15Å
218P58.5Low74.3Confident97 Ų9779.4 Ų79.463%0.6342%0.421SS*.  trans-50.9136.1173.2-22.231.2000108.8N220P218-N220 PolarHBondContact O-N 2.88Å
219P54.1Low74.5Confident79 Ų7979.8 Ų79.851%0.51342%0.424SS..  trans-60.9106.5172.525-29.4000107.1S221P219-S221 PolarHBondContact O-N 3.4Å
220N48.1Very low74.7Confident134 Ų13480.4 Ų80.472%0.71743%0.426SS*.  trans-56.2114.6163.9-76.8-11.6000106P218P218-N220 PolarHBondContact O-N 2.88Å
221S43.2Very low75.1Confident104 Ų10484.3 Ų84.373%0.72743%0.429SS*.SBendtrans4.1118.9178.262.20000117P219 N223P219-S221 PolarHBondContact O-N 3.4Å; S221-N223 PolarHBondContact O-N 3.01Å
222H53.4Low75.4Confident188 Ų18889 Ų8987%0.8745%0.454SS*.  trans57.542166-68.2-69.6000116.6N224H222-N224 PolarHBondContact O-N 2.79Å
223N59.7Low75.8Confident82 Ų8285.7 Ų85.744%0.43943%0.432SS..  trans-80.787.6-178-140.1-7.6000111.3S221 K225 R226S221-N223 PolarHBondContact O-N 3.01Å; N223-K225 PolarHBondContact O-N 3.11Å; N223-K225 VanDerWaalsContact OD1-CB 3.3Å; N223-K225 WeakPolarHBondContact OD1-CB 3.28Å; N223-R226 HydrophobicContact CB-CB 4.47Å; N223-R226 PolarHBondContact O-N 3.4Å
224N75.4Confident76.2Confident128 Ų12885.8 Ų85.868%0.68443%0.433SS*.Hα-helixtrans-46.9-25.2166.2-71.8-17.9000112H222 R228H222-N224 PolarHBondContact O-N 2.79Å; N224-R228 VanDerWaalsContact O-CB 3.3Å; N224-R228 WeakPolarHBondContact O-CB 3.46Å; N224-R228 PolarHBondContact O-N 2.99Å
225K82.6Confident76.9Confident133 Ų13384.2 Ų84.258%0.57842%0.419SS*.Hα-helixtrans-60.9-46.5172.2-169.6177.3177.3-179.80112.9N223 R228 D229N223-K225 PolarHBondContact O-N 3.11Å; N223-K225 VanDerWaalsContact OD1-CB 3.3Å; N223-K225 WeakPolarHBondContact OD1-CB 3.28Å; K225-R228 WeakPolarHBondContact O-CB 3.46Å; K225-R228 PolarHBondContact O-N 3.31Å; K225-D229 PolarHBondContact O-N 3.35Å
226R81.9Confident77.5Confident75 Ų7587.4 Ų87.428%0.28343%0.433SS..Hα-helixtrans-65.6-45.5-179.5179.2176173.9158.93.9111.2N223 R228 D229 E230N223-R226 HydrophobicContact CB-CB 4.47Å; N223-R226 PolarHBondContact O-N 3.4Å; R226-R228 VanDerWaalsContact C-N 3.27Å; R226-R228 PolarHBondContact O-N 3Å; R226-D229 PolarHBondContact O-N 3.48Å; R226-E230 HydrophobicContact CG-CG 4.35Å; R226-E230 WeakPolarHBondContact CG-OE1 2.84Å; R226-E230 IonicContact CZ-OE1 2.74Å; R226-E230 IonicContact NE-OE1 2.96Å; R226-E230 PolarHBondContact NE-OE1 3.08Å; R226-E230 IonicContact NH2-OE1 2.79Å; R226-E230 WeakPolarHBondContact O-CB 3.29Å; R226-E230 WeakPolarHBondContact O-CG 3.5Å; R226-E230 PolarHBondContact O-N 3.06Å
227E85.1Confident78.3Confident84 Ų8487 Ų8739%0.39343%0.432SS..Hα-helixtrans-60.6-39.6176.4-173.3-175.6167.500111.4R231E227-R231 WeakPolarHBondContact O-CB 3.4Å; E227-R231 WeakPolarHBondContact O-CG 3.43Å; E227-R231 PolarHBondContact O-N 3.48Å; E227-R231 IonicContact OE1-CZ 2.89Å; E227-R231 IonicContact OE1-NH1 3.03Å; E227-R231 PolarHBondContact OE1-NH1 3.42Å; E227-R231 IonicContact OE1-NH2 2.8Å; E227-R231 PolarHBondContact OE1-NH2 3.23Å
228R87.7Confident79.6Confident179 Ų17983 Ų8368%0.67541%0.413SS*.Hα-helixtrans-62.9-46.4174.1-175.9179.4-179.4171.20.7111.8N224 K225 R226 R231 L232N224-R228 VanDerWaalsContact O-CB 3.3Å; N224-R228 WeakPolarHBondContact O-CB 3.46Å; N224-R228 PolarHBondContact O-N 2.99Å; K225-R228 WeakPolarHBondContact O-CB 3.46Å; K225-R228 PolarHBondContact O-N 3.31Å; R226-R228 VanDerWaalsContact C-N 3.27Å; R226-R228 PolarHBondContact O-N 3Å; R228-R231 PolarHBondContact O-N 3.34Å; R228-L232 HydrophobicContact CG-CD1 4.1Å; R228-L232 HydrophobicContact CG-CG 4.45Å; R228-L232 WeakPolarHBondContact O-CB 3.42Å; R228-L232 VanDerWaalsContact O-CG 3.28Å; R228-L232 WeakPolarHBondContact O-CG 3.41Å; R228-L232 PolarHBondContact O-N 2.92Å
229D89.1Confident81.4Confident68 Ų6881.3 Ų81.336%0.36440%0.398SS..Hα-helixtrans-63.9-41.6179.2-66.1-17.7000111.1K225 R226 L232 K233K225-D229 PolarHBondContact O-N 3.35Å; R226-D229 PolarHBondContact O-N 3.48Å; D229-L232 PolarHBondContact O-N 3.46Å; D229-K233 WeakPolarHBondContact O-CB 3.36Å; D229-K233 PolarHBondContact O-N 3.32Å
230E92Very high83.4Confident24 Ų2482.3 Ų82.311%0.11240%0.396CS..Hα-helixtrans-61-46.2173.9-76.3178-170.300111.7L69 L73 R76 R226 K233 A234 W280L69-E230 HydrophobicContact CD1-CG 3.96Å; L73-E230 WeakPolarHBondContact CD1-O 3.41Å; L73-E230 HydrophobicContact CD2-CB 4.05Å; L73-E230 HydrophobicContact CD2-CG 4.02Å; R76-E230 IonicContact NH1-OE2 3.84Å; R226-E230 HydrophobicContact CG-CG 4.35Å; R226-E230 WeakPolarHBondContact CG-OE1 2.84Å; R226-E230 IonicContact CZ-OE1 2.74Å; R226-E230 IonicContact NE-OE1 2.96Å; R226-E230 PolarHBondContact NE-OE1 3.08Å; R226-E230 IonicContact NH2-OE1 2.79Å; R226-E230 WeakPolarHBondContact O-CB 3.29Å; R226-E230 WeakPolarHBondContact O-CG 3.5Å; R226-E230 PolarHBondContact O-N 3.06Å; E230-K233 PolarHBondContact O-N 3.14Å; E230-A234 VanDerWaalsContact O-CB 3.3Å; E230-A234 WeakPolarHBondContact O-CB 3.44Å; E230-A234 PolarHBondContact O-N 2.87Å; E230-W280 HydrophobicContact CB-CH2 4.4Å; E230-W280 HydrophobicContact CB-CZ3 4.29Å
231R92Very high85.7Confident121 Ų12177.2 Ų77.246%0.45737%0.37SS..Hα-helixtrans-65.2-42.4176.6-79.7-165.7175.8122.915112.7E227 R228 K233 A234 N235E227-R231 WeakPolarHBondContact O-CB 3.4Å; E227-R231 WeakPolarHBondContact O-CG 3.43Å; E227-R231 PolarHBondContact O-N 3.48Å; E227-R231 IonicContact OE1-CZ 2.89Å; E227-R231 IonicContact OE1-NH1 3.03Å; E227-R231 PolarHBondContact OE1-NH1 3.42Å; E227-R231 IonicContact OE1-NH2 2.8Å; E227-R231 PolarHBondContact OE1-NH2 3.23Å; R228-R231 PolarHBondContact O-N 3.34Å; R231-K233 VanDerWaalsContact C-N 3.32Å; R231-A234 PolarHBondContact O-N 2.98Å; R231-N235 WeakPolarHBondContact O-CB 3.41Å; R231-N235 PolarHBondContact O-N 2.98Å
232L93.6Very high88.3Confident99 Ų9973.3 Ų73.352%0.51834%0.34SS..Hα-helixtrans-61-44.6176.2-75.2173.3000110.6R228 D229 N235 E236R228-L232 HydrophobicContact CG-CD1 4.1Å; R228-L232 HydrophobicContact CG-CG 4.45Å; R228-L232 WeakPolarHBondContact O-CB 3.42Å; R228-L232 VanDerWaalsContact O-CG 3.28Å; R228-L232 WeakPolarHBondContact O-CG 3.41Å; R228-L232 PolarHBondContact O-N 2.92Å; D229-L232 PolarHBondContact O-N 3.46Å; L232-N235 PolarHBondContact O-N 3.22Å; L232-E236 PolarHBondContact O-N 2.98Å
233K94.8Very high90.3Very high16 Ų1669 Ų697%0.0732%0.322CS..Hα-helixtrans-68-39.7178.8-171.361.4-180-179.30112.5S66 L69 S70 L73 D229 E230 R231 N235 E236 L237S66-K233 PolarHBondContact OG-NZ 3.23Å; L69-K233 HydrophobicContact CD2-CB 3.79Å; L69-K233 HydrophobicContact CD2-CG 3.92Å; L69-K233 HydrophobicContact CG-CB 4.25Å; L69-K233 HydrophobicContact CG-CG 4.03Å; S70-K233 WeakPolarHBondContact OG-CE 3.29Å; L73-K233 HydrophobicContact CD1-CB 3.75Å; L73-K233 HydrophobicContact CD1-CG 3.84Å; D229-K233 WeakPolarHBondContact O-CB 3.36Å; D229-K233 PolarHBondContact O-N 3.32Å; E230-K233 PolarHBondContact O-N 3.14Å; R231-K233 VanDerWaalsContact C-N 3.32Å; K233-N235 VanDerWaalsContact C-N 3.31Å; K233-N235 PolarHBondContact O-N 3.44Å; K233-E236 WeakPolarHBondContact CD-OE2 3.17Å; K233-E236 IonicContact NZ-OE1 2.98Å; K233-E236 PolarHBondContact NZ-OE1 2.99Å; K233-E236 IonicContact NZ-OE2 2.67Å; K233-E236 PolarHBondContact NZ-OE2 3.41Å; K233-E236 WeakPolarHBondContact O-CB 3.37Å; K233-E236 PolarHBondContact O-N 3.44Å; K233-L237 WeakPolarHBondContact O-CG 3.49Å; K233-L237 PolarHBondContact O-N 3.49Å
234A95.3Very high92Very high1 Ų168.8 Ų68.81%0.00832%0.318CS..Hα-helixtrans-61.8-39174.600000112L73 E230 R231 A238 Q275 W280 P281 Y375L73-A234 HydrophobicContact CD1-CB 4.35Å; E230-A234 VanDerWaalsContact O-CB 3.3Å; E230-A234 WeakPolarHBondContact O-CB 3.44Å; E230-A234 PolarHBondContact O-N 2.87Å; R231-A234 PolarHBondContact O-N 2.98Å; A234-A238 WeakPolarHBondContact O-CB 3.25Å; A234-A238 PolarHBondContact O-N 3.13Å; A234-Q275 PolarHBondContact O-NE2 2.77Å; A234-W280 HydrophobicContact CB-CE3 4.38Å; A234-W280 HydrophobicContact CB-CZ3 4.37Å; A234-P281 HydrophobicContact CB-CG 4.47Å; A234-Y375 HydrophobicContact CB-CE1 4.28Å; A234-Y375 VanDerWaalsContact CB-OH 3.25Å; A234-Y375 WeakPolarHBondContact CB-OH 3.06Å
235N95.9Very high93Very high35 Ų3562.8 Ų62.819%0.18729%0.286CS..Hα-helixtrans-68.8-40.3173.9-172.726000112.2R231 L232 K233 L237 A238 I239 R371 Y375R231-N235 WeakPolarHBondContact O-CB 3.41Å; R231-N235 PolarHBondContact O-N 2.98Å; L232-N235 PolarHBondContact O-N 3.22Å; K233-N235 VanDerWaalsContact C-N 3.31Å; K233-N235 PolarHBondContact O-N 3.44Å; N235-L237 VanDerWaalsContact C-N 3.33Å; N235-L237 PolarHBondContact O-N 3.24Å; N235-A238 WeakPolarHBondContact O-CB 3.44Å; N235-A238 PolarHBondContact O-N 3.36Å; N235-I239 VanDerWaalsContact O-CG1 3.3Å; N235-I239 WeakPolarHBondContact O-CG1 3.3Å; N235-I239 PolarHBondContact O-N 3.39Å; N235-R371 PolarHBondContact OD1-NH1 3.46Å; N235-Y375 HydrophobicContact CB-CD1 3.76Å; N235-Y375 HydrophobicContact CB-CD2 3.79Å; N235-Y375 HydrophobicContact CB-CE1 3.89Å; N235-Y375 HydrophobicContact CB-CE2 3.91Å; N235-Y375 HydrophobicContact CB-CG 3.72Å; N235-Y375 VanDerWaalsContact OD1-CD2 3.28Å; N235-Y375 WeakPolarHBondContact OD1-CD2 3.24Å
236E96.2Very high93.5Very high81 Ų8161.6 Ų61.638%0.37928%0.281SS..Hα-helixtrans-56.4-47.9173.8-173.1-159.7137.800111.1L232 K233 A238 I239 Q240L232-E236 PolarHBondContact O-N 2.98Å; K233-E236 WeakPolarHBondContact CD-OE2 3.17Å; K233-E236 IonicContact NZ-OE1 2.98Å; K233-E236 PolarHBondContact NZ-OE1 2.99Å; K233-E236 IonicContact NZ-OE2 2.67Å; K233-E236 PolarHBondContact NZ-OE2 3.41Å; K233-E236 WeakPolarHBondContact O-CB 3.37Å; K233-E236 PolarHBondContact O-N 3.44Å; E236-A238 VanDerWaalsContact C-N 3.35Å; E236-A238 PolarHBondContact O-N 3.1Å; E236-I239 PolarHBondContact O-N 3.36Å; E236-Q240 WeakPolarHBondContact O-CG 3.37Å; E236-Q240 PolarHBondContact O-N 3.02Å; E236-Q240 PolarHBondContact OE1-NE2 3.24Å; E236-Q240 VanDerWaalsContact OE1-NE2 3.16Å
237L96.7Very high94Very high14 Ų1463.2 Ų63.27%0.07329%0.292CS..Hα-helixtrans-62.2-41.7176.4-68.6170.5000111.6L74 K233 N235 I239 Q240 V241 P281L74-L237 HydrophobicContact CG-CD1 4.5Å; K233-L237 WeakPolarHBondContact O-CG 3.49Å; K233-L237 PolarHBondContact O-N 3.49Å; N235-L237 VanDerWaalsContact C-N 3.33Å; N235-L237 PolarHBondContact O-N 3.24Å; L237-I239 VanDerWaalsContact C-N 3.32Å; L237-I239 PolarHBondContact O-N 3.31Å; L237-Q240 PolarHBondContact O-N 2.98Å; L237-V241 WeakPolarHBondContact O-CG2 3.44Å; L237-V241 PolarHBondContact O-N 3.47Å; L237-V241 VanDerWaalsContact O-N 3.08Å; L237-P281 HydrophobicContact CB-CB 4.23Å; L237-P281 HydrophobicContact CD1-CB 4.13Å; L237-P281 HydrophobicContact CD1-CG 3.79Å
238A96.6Very high94.3Very high0 Ų059.8 Ų59.80%028%0.277CS..Hα-helixtrans-62.3-38.9176.200000112.5A234 N235 E236 V241 E242 L272 R371 Y375A234-A238 WeakPolarHBondContact O-CB 3.25Å; A234-A238 PolarHBondContact O-N 3.13Å; N235-A238 WeakPolarHBondContact O-CB 3.44Å; N235-A238 PolarHBondContact O-N 3.36Å; E236-A238 VanDerWaalsContact C-N 3.35Å; E236-A238 PolarHBondContact O-N 3.1Å; A238-V241 PolarHBondContact O-N 2.93Å; A238-E242 WeakPolarHBondContact O-CB 3.47Å; A238-E242 PolarHBondContact O-N 3.4Å; A238-L272 HydrophobicContact CB-CD1 4.35Å; A238-R371 HydrophobicContact CB-CG 3.75Å; A238-Y375 HydrophobicContact CB-CE2 4.1Å
239I96.9Very high94.5Very high62 Ų6252.2 Ų52.232%0.31825%0.25SS..Hα-helixtrans-66.1-40.1176.3-70.5165.7000110.5N235 E236 L237 V241 E242 M243N235-I239 VanDerWaalsContact O-CG1 3.3Å; N235-I239 WeakPolarHBondContact O-CG1 3.3Å; N235-I239 PolarHBondContact O-N 3.39Å; E236-I239 PolarHBondContact O-N 3.36Å; L237-I239 VanDerWaalsContact C-N 3.32Å; L237-I239 PolarHBondContact O-N 3.31Å; I239-V241 VanDerWaalsContact C-N 3.33Å; I239-V241 PolarHBondContact O-N 3.08Å; I239-E242 PolarHBondContact O-N 2.86Å; I239-M243 HydrophobicContact CG2-CG 4.39Å; I239-M243 HydrophobicContact CG2-SD 4.25Å; I239-M243 WeakPolarHBondContact O-CB 3.46Å; I239-M243 VanDerWaalsContact O-CG 3.31Å; I239-M243 WeakPolarHBondContact O-CG 3.5Å; I239-M243 PolarHBondContact O-N 2.89Å
240Q95.8Very high94.4Very high101 Ų10152.2 Ų52.247%0.47226%0.255SS..Hα-helixtrans-61.1-42.9175.4-69.5172.91400111.5E236 L237 M243 Q244E236-Q240 WeakPolarHBondContact O-CG 3.37Å; E236-Q240 PolarHBondContact O-N 3.02Å; E236-Q240 PolarHBondContact OE1-NE2 3.24Å; E236-Q240 VanDerWaalsContact OE1-NE2 3.16Å; L237-Q240 PolarHBondContact O-N 2.98Å; Q240-M243 PolarHBondContact O-N 2.8Å; Q240-Q244 PolarHBondContact O-N 3.45Å
241V96.4Very high93.8Very high26 Ų2654.2 Ų54.216%0.15827%0.266CS..Hα-helixtrans-66.7-41.5175.2178.40000111.5L237 A238 I239 M243 Q244 L245 A268 C271 L272L237-V241 WeakPolarHBondContact O-CG2 3.44Å; L237-V241 PolarHBondContact O-N 3.47Å; L237-V241 VanDerWaalsContact O-N 3.08Å; A238-V241 PolarHBondContact O-N 2.93Å; I239-V241 VanDerWaalsContact C-N 3.33Å; I239-V241 PolarHBondContact O-N 3.08Å; V241-M243 VanDerWaalsContact C-N 3.32Å; V241-M243 PolarHBondContact O-N 2.94Å; V241-Q244 PolarHBondContact O-N 2.99Å; V241-L245 PolarHBondContact O-N 2.91Å; V241-A268 HydrophobicContact CG1-CB 3.99Å; V241-A268 WeakPolarHBondContact CG1-O 3.23Å; V241-C271 HydrophobicContact CG1-CB 4.32Å; V241-L272 HydrophobicContact CG1-CB 3.94Å
242E96.8Very high92.9Very high22 Ų2249 Ų4910%0.10325%0.249CC..Hα-helixtrans-58.6-44.1173.2-176.8-169.9125.300111.1A238 I239 L245 K246 I368 R371A238-E242 WeakPolarHBondContact O-CB 3.47Å; A238-E242 PolarHBondContact O-N 3.4Å; I239-E242 PolarHBondContact O-N 2.86Å; E242-L245 PolarHBondContact O-N 3.44Å; E242-K246 VanDerWaalsContact O-CB 3.28Å; E242-K246 WeakPolarHBondContact O-CB 3.26Å; E242-K246 PolarHBondContact O-N 2.89Å; E242-I368 HydrophobicContact CG-CG1 3.9Å; E242-R371 IonicContact OE2-CZ 2.74Å; E242-R371 VanDerWaalsContact OE2-CZ 3.28Å; E242-R371 IonicContact OE2-NE 3.53Å; E242-R371 PolarHBondContact OE2-NE 3.13Å; E242-R371 IonicContact OE2-NH2 3.62Å; E242-R371 PolarHBondContact OE2-NH2 2.74Å
243M96.1Very high91.7Very high98 Ų9852.8 Ų52.848%0.48326%0.262SS..Hα-helixtrans-62.6-44.9177.8-75.2-178.466.600111.4I239 Q240 V241 L245 K246 E247I239-M243 HydrophobicContact CG2-CG 4.39Å; I239-M243 HydrophobicContact CG2-SD 4.25Å; I239-M243 WeakPolarHBondContact O-CB 3.46Å; I239-M243 VanDerWaalsContact O-CG 3.31Å; I239-M243 WeakPolarHBondContact O-CG 3.5Å; I239-M243 PolarHBondContact O-N 2.89Å; Q240-M243 PolarHBondContact O-N 2.8Å; V241-M243 VanDerWaalsContact C-N 3.32Å; V241-M243 PolarHBondContact O-N 2.94Å; M243-L245 VanDerWaalsContact C-N 3.33Å; M243-L245 PolarHBondContact O-N 3.33Å; M243-K246 PolarHBondContact O-N 3.03Å; M243-E247 WeakPolarHBondContact O-CB 3.4Å; M243-E247 VanDerWaalsContact O-CG 3.3Å; M243-E247 WeakPolarHBondContact O-CG 3.47Å; M243-E247 PolarHBondContact O-N 2.81Å
244Q94.6Very high90.5Very high78 Ų7858.2 Ų58.236%0.36429%0.29SS..Hα-helixtrans-59.9-42.9175.7-175.9179.95.100112Q240 V241 S248 T264 A268Q240-Q244 PolarHBondContact O-N 3.45Å; V241-Q244 PolarHBondContact O-N 2.99Å; Q244-S248 WeakPolarHBondContact O-CB 3.23Å; Q244-S248 PolarHBondContact O-N 3.26Å; Q244-S248 PolarHBondContact O-OG 3.24Å; Q244-T264 HydrophobicContact CG-CG2 3.87Å; Q244-A268 HydrophobicContact CB-CB 4.33Å; Q244-A268 HydrophobicContact CG-CB 4.21Å
245L96Very high89.1Confident1 Ų162 Ų621%0.00531%0.31CS..Hα-helixtrans-62-50.4174.9178.657.9000110.7V241 E242 M243 S248 V249 A265 A268 A269 L272 I363 L364V241-L245 PolarHBondContact O-N 2.91Å; E242-L245 PolarHBondContact O-N 3.44Å; M243-L245 VanDerWaalsContact C-N 3.33Å; M243-L245 PolarHBondContact O-N 3.33Å; L245-S248 PolarHBondContact O-N 3.27Å; L245-V249 HydrophobicContact CD1-CG2 4.09Å; L245-V249 WeakPolarHBondContact O-CG2 3.34Å; L245-V249 PolarHBondContact O-N 3.01Å; L245-A265 HydrophobicContact CD1-CB 3.73Å; L245-A265 WeakPolarHBondContact CD1-O 3.47Å; L245-A268 HydrophobicContact CB-CB 3.94Å; L245-A269 HydrophobicContact CD1-CB 4.22Å; L245-A269 HydrophobicContact CD2-CB 4.3Å; L245-L272 HydrophobicContact CD2-CD2 4.47Å; L245-I363 HydrophobicContact CD1-CG2 4.34Å; L245-I363 HydrophobicContact CD2-CG2 4.31Å; L245-L364 HydrophobicContact CD2-CD1 4.11Å; L245-L364 HydrophobicContact CG-CB 4.46Å; L245-L364 HydrophobicContact CG-CD1 3.9Å
246K94.8Very high87.7Confident108 Ų10868.7 Ų68.747%0.4735%0.346SS..Hα-helixtrans-60.3-48.4-179.3-175.1179.7179.8-177.90112.2E242 M243 S248 V249 C250 L364E242-K246 VanDerWaalsContact O-CB 3.28Å; E242-K246 WeakPolarHBondContact O-CB 3.26Å; E242-K246 PolarHBondContact O-N 2.89Å; M243-K246 PolarHBondContact O-N 3.03Å; K246-S248 VanDerWaalsContact C-N 3.31Å; K246-S248 PolarHBondContact O-N 3.38Å; K246-V249 PolarHBondContact O-N 3.45Å; K246-C250 WeakPolarHBondContact O-CB 3.3Å; K246-C250 PolarHBondContact O-N 2.65Å; K246-C250 PolarHBondContact O-SG 2.94Å; K246-C250 VanDerWaalsContact O-SG 3.32Å; K246-L364 HydrophobicContact CB-CD1 3.92Å; K246-L364 HydrophobicContact CG-CD1 4.46Å; K246-L364 HydrophobicContact CG-CD2 4.43Å
247E92.4Very high87.1Confident110 Ų11068.6 Ų68.651%0.51435%0.348SS..Hα-helixtrans-59.8-43.2177.5-74.6175.4-172.200111M243 C250 N251M243-E247 WeakPolarHBondContact O-CB 3.4Å; M243-E247 VanDerWaalsContact O-CG 3.3Å; M243-E247 WeakPolarHBondContact O-CG 3.47Å; M243-E247 PolarHBondContact O-N 2.81Å; E247-C250 PolarHBondContact O-N 3.05Å; E247-N251 WeakPolarHBondContact O-CB 3.37Å; E247-N251 PolarHBondContact O-N 2.81Å; E247-N251 PolarHBondContact O-ND2 3.14Å; E247-N251 VanDerWaalsContact O-ND2 3.09Å
248S91.3Very high86.6Confident12 Ų1268.5 Ų68.58%0.08435%0.347CS..Hα-helixtrans-61.1-50.1177.2-58.30000111.6Q244 L245 K246 C250 N251 A252 V261 T264Q244-S248 WeakPolarHBondContact O-CB 3.23Å; Q244-S248 PolarHBondContact O-N 3.26Å; Q244-S248 PolarHBondContact O-OG 3.24Å; L245-S248 PolarHBondContact O-N 3.27Å; K246-S248 VanDerWaalsContact C-N 3.31Å; K246-S248 PolarHBondContact O-N 3.38Å; S248-C250 PolarHBondContact O-N 2.92Å; S248-N251 PolarHBondContact O-N 2.84Å; S248-A252 PolarHBondContact O-N 3.14Å; S248-A252 VanDerWaalsContact O-N 3.13Å; S248-V261 WeakPolarHBondContact O-CG1 3.49Å; S248-T264 WeakPolarHBondContact OG-CB 3.35Å; S248-T264 WeakPolarHBondContact OG-CG2 3.42Å
249V90.6Very high86.2Confident19 Ų1970.9 Ų70.912%0.11536%0.36CS..Hα-helixtrans-66.6-37.9-179.1176.80000112L245 K246 A252 A265 L360 L364L245-V249 HydrophobicContact CD1-CG2 4.09Å; L245-V249 WeakPolarHBondContact O-CG2 3.34Å; L245-V249 PolarHBondContact O-N 3.01Å; K246-V249 PolarHBondContact O-N 3.45Å; V249-A252 WeakPolarHBondContact O-CB 3.46Å; V249-A252 PolarHBondContact O-N 3.31Å; V249-A265 HydrophobicContact CG2-CB 4.31Å; V249-L360 HydrophobicContact CG2-CB 4.09Å; V249-L364 HydrophobicContact CB-CD2 4.13Å; V249-L364 HydrophobicContact CG1-CD2 4.05Å; V249-L364 HydrophobicContact CG2-CB 4.36Å
250C87.2Confident85.9Confident68 Ų6874.7 Ų74.746%0.45937%0.374SS..Hα-helixtrans-67.4-39174.8-72.30000112.1K246 E247 S248 A252 K253K246-C250 WeakPolarHBondContact O-CB 3.3Å; K246-C250 PolarHBondContact O-N 2.65Å; K246-C250 PolarHBondContact O-SG 2.94Å; K246-C250 VanDerWaalsContact O-SG 3.32Å; E247-C250 PolarHBondContact O-N 3.05Å; S248-C250 PolarHBondContact O-N 2.92Å; C250-A252 PolarHBondContact O-N 2.98Å; C250-K253 PolarHBondContact O-N 3.05Å
251N80Confident85.7Confident66 Ų6670.2 Ų70.235%0.35335%0.354SS..Hα-helixtrans-68.5-20.3177.7-74-22.6000113.2E247 S248 K253 I254 N255E247-N251 WeakPolarHBondContact O-CB 3.37Å; E247-N251 PolarHBondContact O-N 2.81Å; E247-N251 PolarHBondContact O-ND2 3.14Å; E247-N251 VanDerWaalsContact O-ND2 3.09Å; S248-N251 PolarHBondContact O-N 2.84Å; N251-K253 PolarHBondContact O-N 3.31Å; N251-I254 PolarHBondContact O-N 2.86Å; N251-N255 PolarHBondContact O-N 3.42Å
252A73.7Confident85.5Confident12 Ų1269 Ų6910%0.09935%0.346CS..THydrogen-bonded Turntrans-52.5-28.7173.900000113.3S248 V249 C250 V261S248-A252 PolarHBondContact O-N 3.14Å; S248-A252 VanDerWaalsContact O-N 3.13Å; V249-A252 WeakPolarHBondContact O-CB 3.46Å; V249-A252 PolarHBondContact O-N 3.31Å; C250-A252 PolarHBondContact O-N 2.98Å; A252-V261 HydrophobicContact CB-CG1 3.76Å
253K67.7Low85.3Confident179 Ų17970.7 Ų70.778%0.77836%0.358SS*.THydrogen-bonded Turntrans-83.2-17.4-179.9-65.4-173.2175.8-174.30114.2C250 N251C250-K253 PolarHBondContact O-N 3.05Å; N251-K253 PolarHBondContact O-N 3.31Å
254I68.8Low85.2Confident129 Ų12968 Ų6866%0.66235%0.347SS*.THydrogen-bonded Turntrans-112-33.9-170-54.9175.1000110.6N251N251-I254 PolarHBondContact O-N 2.86Å
255N66.1Low85.3Confident81 Ų8164.2 Ų64.243%0.43333%0.33SS..  trans-102.4131.5-175.6-68.5-25000111.3N251 D257N251-N255 PolarHBondContact O-N 3.42Å; N255-D257 PolarHBondContact O-N 3.37Å; N255-D257 VanDerWaalsContact O-N 3.11Å
256N66.9Low85.3Confident176 Ų17664.3 Ų64.394%0.94133%0.33SS*.SBendtrans-70.91.7175.1-73.9-2.9000114.2L258N256-L258 PolarHBondContact O-N 3.03Å
257D82.7Confident85.4Confident78 Ų7860.8 Ų60.842%0.41732%0.316SS..  trans-102.473.8-179.1-168.8-8.5000111N255 L259 K260 V261N255-D257 PolarHBondContact O-N 3.37Å; N255-D257 VanDerWaalsContact O-N 3.11Å; D257-L259 PolarHBondContact O-N 2.74Å; D257-L259 PolarHBondContact OD1-N 2.96Å; D257-K260 HydrophobicContact CB-CB 4.21Å; D257-K260 VanDerWaalsContact CG-CB 3.4Å; D257-K260 PolarHBondContact O-N 3.36Å; D257-K260 PolarHBondContact OD1-N 3.29Å; D257-K260 VanDerWaalsContact OD2-CB 3.25Å; D257-K260 WeakPolarHBondContact OD2-CB 3.26Å; D257-V261 WeakPolarHBondContact O-CG2 3.31Å; D257-V261 PolarHBondContact O-N 2.87Å; D257-V261 VanDerWaalsContact O-N 3.16Å
258L87.2Confident85.6Confident13 Ų1355.7 Ų55.77%0.06829%0.293CS..Hα-helixtrans-59.6-29.3176.2-175.960.6000111.8N256 V261 A262 Y339 E353 I356 Q357N256-L258 PolarHBondContact O-N 3.03Å; L258-V261 PolarHBondContact O-N 2.82Å; L258-A262 WeakPolarHBondContact O-CB 3.3Å; L258-A262 PolarHBondContact O-N 3.06Å; L258-Y339 HydrophobicContact CD2-CE1 4.47Å; L258-Y339 HydrophobicContact CG-CE1 4.36Å; L258-E353 HydrophobicContact CD2-CB 3.78Å; L258-E353 HydrophobicContact CD2-CG 3.75Å; L258-I356 HydrophobicContact CD1-CG2 4.3Å; L258-I356 HydrophobicContact CD2-CB 4.38Å; L258-I356 HydrophobicContact CD2-CG2 4.36Å; L258-I356 HydrophobicContact CG-CG2 4.47Å; L258-Q357 HydrophobicContact CD1-CG 4.41Å
259L89Confident85.9Confident49 Ų4955.1 Ų55.126%0.25729%0.289SS..Hα-helixtrans-66.6-47.5179178.959.5000111.6D257 V261 A262 T263 I340 K343 V344D257-L259 PolarHBondContact O-N 2.74Å; D257-L259 PolarHBondContact OD1-N 2.96Å; L259-V261 VanDerWaalsContact C-N 3.32Å; L259-V261 PolarHBondContact O-N 3.03Å; L259-A262 PolarHBondContact O-N 3.08Å; L259-T263 WeakPolarHBondContact O-CB 3.41Å; L259-T263 PolarHBondContact O-N 3.11Å; L259-T263 PolarHBondContact O-OG1 2.68Å; L259-I340 HydrophobicContact CD1-CB 4.38Å; L259-I340 HydrophobicContact CD1-CG1 4.36Å; L259-I340 HydrophobicContact CD1-CG2 4.02Å; L259-K343 HydrophobicContact CD1-CB 4.03Å; L259-K343 HydrophobicContact CD1-CG 4.19Å; L259-K343 HydrophobicContact CD2-CG 4.24Å; L259-V344 HydrophobicContact CD1-CG2 4.23Å; L259-V344 HydrophobicContact CD2-CG2 4.25Å
260K89.8Confident86.3Confident142 Ų14254.2 Ų54.262%0.61728%0.283SS*.Hα-helixtrans-63.1-41175.9-179.2179.4-179.5-179.30111.7D257 T264D257-K260 HydrophobicContact CB-CB 4.21Å; D257-K260 VanDerWaalsContact CG-CB 3.4Å; D257-K260 PolarHBondContact O-N 3.36Å; D257-K260 PolarHBondContact OD1-N 3.29Å; D257-K260 VanDerWaalsContact OD2-CB 3.25Å; D257-K260 WeakPolarHBondContact OD2-CB 3.26Å; K260-T264 WeakPolarHBondContact O-CB 3.28Å; K260-T264 PolarHBondContact O-N 2.89Å; K260-T264 PolarHBondContact O-OG1 3.49Å
261V90.9Very high86.8Confident8 Ų851.3 Ų51.35%0.04826%0.264CS..Hα-helixtrans-61-52.9176.3165.60000110.8S248 A252 D257 L258 L259 T263 T264 A265 L360S248-V261 WeakPolarHBondContact O-CG1 3.49Å; A252-V261 HydrophobicContact CB-CG1 3.76Å; D257-V261 WeakPolarHBondContact O-CG2 3.31Å; D257-V261 PolarHBondContact O-N 2.87Å; D257-V261 VanDerWaalsContact O-N 3.16Å; L258-V261 PolarHBondContact O-N 2.82Å; L259-V261 VanDerWaalsContact C-N 3.32Å; L259-V261 PolarHBondContact O-N 3.03Å; V261-T263 PolarHBondContact O-N 2.92Å; V261-T264 PolarHBondContact O-N 3.48Å; V261-A265 VanDerWaalsContact O-CB 3.26Å; V261-A265 WeakPolarHBondContact O-CB 3.48Å; V261-A265 PolarHBondContact O-N 3.42Å; V261-L360 HydrophobicContact CG1-CD1 4.13Å
262A92.4Very high87.6Confident0 Ų048.2 Ų48.20%025%0.247CC..Hα-helixtrans-59.1-46.817900000110.8L258 L259 T264 A265 T266 V336 Y339 I340L258-A262 WeakPolarHBondContact O-CB 3.3Å; L258-A262 PolarHBondContact O-N 3.06Å; L259-A262 PolarHBondContact O-N 3.08Å; A262-T264 PolarHBondContact O-N 2.95Å; A262-A265 PolarHBondContact O-N 2.88Å; A262-T266 VanDerWaalsContact O-CB 3.29Å; A262-T266 WeakPolarHBondContact O-CB 3.29Å; A262-T266 PolarHBondContact O-N 3.4Å; A262-T266 PolarHBondContact O-OG1 2.84Å; A262-V336 HydrophobicContact CB-CG1 3.91Å; A262-Y339 HydrophobicContact CB-CD1 4.36Å; A262-Y339 HydrophobicContact CB-CE1 4.33Å; A262-I340 HydrophobicContact CB-CD1 3.99Å; A262-I340 HydrophobicContact CB-CG1 3.81Å
263T93.7Very high88.7Confident58 Ų5847.7 Ų47.736%0.35624%0.243SC..Hα-helixtrans-59-45.3179.9-55.40000112.2L259 V261 L267L259-T263 WeakPolarHBondContact O-CB 3.41Å; L259-T263 PolarHBondContact O-N 3.11Å; L259-T263 PolarHBondContact O-OG1 2.68Å; V261-T263 PolarHBondContact O-N 2.92Å; T263-L267 WeakPolarHBondContact O-CB 3.35Å; T263-L267 PolarHBondContact O-N 2.9Å; T263-L267 VanDerWaalsContact O-N 3.12Å
264T94Very high90.1Very high40 Ų4039.1 Ų39.125%0.24521%0.206CC..Hα-helixtrans-69.8-42.8-179.1-50.30000111.3Q244 S248 K260 V261 A262 A268Q244-T264 HydrophobicContact CG-CG2 3.87Å; S248-T264 WeakPolarHBondContact OG-CB 3.35Å; S248-T264 WeakPolarHBondContact OG-CG2 3.42Å; K260-T264 WeakPolarHBondContact O-CB 3.28Å; K260-T264 PolarHBondContact O-N 2.89Å; K260-T264 PolarHBondContact O-OG1 3.49Å; V261-T264 PolarHBondContact O-N 3.48Å; A262-T264 PolarHBondContact O-N 2.95Å; T264-A268 WeakPolarHBondContact O-CB 3.46Å; T264-A268 PolarHBondContact O-N 3.26Å
265A95.4Very high91.4Very high0 Ų033.1 Ų33.10%017%0.174CC..Hα-helixtrans-65.9-46.4178.300000111.9L245 V249 V261 A262 L267 A268 A269 L360L245-A265 HydrophobicContact CD1-CB 3.73Å; L245-A265 WeakPolarHBondContact CD1-O 3.47Å; V249-A265 HydrophobicContact CG2-CB 4.31Å; V261-A265 VanDerWaalsContact O-CB 3.26Å; V261-A265 WeakPolarHBondContact O-CB 3.48Å; V261-A265 PolarHBondContact O-N 3.42Å; A262-A265 PolarHBondContact O-N 2.88Å; A265-L267 VanDerWaalsContact C-N 3.34Å; A265-L267 PolarHBondContact O-N 3.36Å; A265-A268 PolarHBondContact O-N 3.33Å; A265-A269 VanDerWaalsContact O-CB 3.22Å; A265-A269 WeakPolarHBondContact O-CB 3.36Å; A265-A269 PolarHBondContact O-N 2.93Å; A265-L360 HydrophobicContact CB-CD2 3.55Å
266T96.3Very high92.8Very high2 Ų229.2 Ų29.21%0.01215%0.154CC..Hα-helixtrans-61.6-42.3178.2-58.20000111.2A262 T270 V289 I293 L333 V336 A337 I340A262-T266 VanDerWaalsContact O-CB 3.29Å; A262-T266 WeakPolarHBondContact O-CB 3.29Å; A262-T266 PolarHBondContact O-N 3.4Å; A262-T266 PolarHBondContact O-OG1 2.84Å; T266-T270 VanDerWaalsContact O-CB 3.29Å; T266-T270 WeakPolarHBondContact O-CB 3.31Å; T266-T270 PolarHBondContact O-N 2.85Å; T266-T270 PolarHBondContact O-OG1 2.89Å; T266-V289 HydrophobicContact CG2-CG1 3.66Å; T266-I293 HydrophobicContact CG2-CD1 4.13Å; T266-L333 HydrophobicContact CG2-CD1 3.73Å; T266-L333 HydrophobicContact CG2-CG 4.47Å; T266-V336 WeakPolarHBondContact OG1-CG1 3.49Å; T266-A337 HydrophobicContact CG2-CB 4.28Å; T266-I340 HydrophobicContact CG2-CD1 4.36Å; T266-I340 WeakPolarHBondContact OG1-CD1 3.3Å
267L97.2Very high94Very high35 Ų3520.9 Ų20.918%0.18311%0.109CC..Hα-helixtrans-60.7-51.5174.817560.3000111.6T263 A265 A269 T270 C271 A284 V289T263-L267 WeakPolarHBondContact O-CB 3.35Å; T263-L267 PolarHBondContact O-N 2.9Å; T263-L267 VanDerWaalsContact O-N 3.12Å; A265-L267 VanDerWaalsContact C-N 3.34Å; A265-L267 PolarHBondContact O-N 3.36Å; L267-A269 PolarHBondContact O-N 3.31Å; L267-T270 PolarHBondContact O-N 3.37Å; L267-C271 PolarHBondContact O-N 3.28Å; L267-C271 PolarHBondContact O-SG 2.89Å; L267-A284 HydrophobicContact CD1-CB 4.19Å; L267-A284 WeakPolarHBondContact CD1-O 3.44Å; L267-V289 HydrophobicContact CB-CG2 4.17Å; L267-V289 HydrophobicContact CD1-CG2 3.54Å; L267-V289 HydrophobicContact CG-CG2 4.46Å
268A97.3Very high94.4Very high2 Ų218 Ų182%0.0179%0.094CC..Hα-helixtrans-60.8-45.4-179.800000111.8V241 Q244 L245 T264 A265 T270 C271 L272V241-A268 HydrophobicContact CG1-CB 3.99Å; V241-A268 WeakPolarHBondContact CG1-O 3.23Å; Q244-A268 HydrophobicContact CB-CB 4.33Å; Q244-A268 HydrophobicContact CG-CB 4.21Å; L245-A268 HydrophobicContact CB-CB 3.94Å; T264-A268 WeakPolarHBondContact O-CB 3.46Å; T264-A268 PolarHBondContact O-N 3.26Å; A265-A268 PolarHBondContact O-N 3.33Å; A268-T270 PolarHBondContact O-N 3.43Å; A268-C271 PolarHBondContact O-N 3.45Å; A268-L272 WeakPolarHBondContact O-CB 3.32Å; A268-L272 PolarHBondContact O-N 3.26Å
269A97.8Very high94.6Very high0 Ų018.2 Ų18.20%010%0.099CC..Hα-helixtrans-61-44.4177.100000112.2L245 A265 L267 C271 L272 F273 L333 I363L245-A269 HydrophobicContact CD1-CB 4.22Å; L245-A269 HydrophobicContact CD2-CB 4.3Å; A265-A269 VanDerWaalsContact O-CB 3.22Å; A265-A269 WeakPolarHBondContact O-CB 3.36Å; A265-A269 PolarHBondContact O-N 2.93Å; L267-A269 PolarHBondContact O-N 3.31Å; A269-C271 PolarHBondContact O-N 2.86Å; A269-L272 PolarHBondContact O-N 3.03Å; A269-F273 HydrophobicContact CB-CD2 4.32Å; A269-F273 HydrophobicContact CB-CE2 3.99Å; A269-F273 WeakPolarHBondContact O-CD2 3.5Å; A269-F273 WeakPolarHBondContact O-CG 3.3Å; A269-F273 PolarHBondContact O-N 2.97Å; A269-L333 HydrophobicContact CB-CD1 3.81Å; A269-I363 HydrophobicContact CB-CG2 3.36Å
270T97.7Very high94.9Very high0 Ų017.7 Ų17.70%09%0.093CC..Hα-helixtrans-59.6-46.5178.1-57.90000111.1T266 L267 A268 A274 L292 I293 L296T266-T270 VanDerWaalsContact O-CB 3.29Å; T266-T270 WeakPolarHBondContact O-CB 3.31Å; T266-T270 PolarHBondContact O-N 2.85Å; T266-T270 PolarHBondContact O-OG1 2.89Å; L267-T270 PolarHBondContact O-N 3.37Å; A268-T270 PolarHBondContact O-N 3.43Å; T270-A274 VanDerWaalsContact O-CB 3.27Å; T270-A274 WeakPolarHBondContact O-CB 3.35Å; T270-A274 PolarHBondContact O-N 3.06Å; T270-L292 HydrophobicContact CG2-CB 3.47Å; T270-L292 VanDerWaalsContact CG2-CB 3.47Å; T270-L292 HydrophobicContact CG2-CD1 4.09Å; T270-L292 HydrophobicContact CG2-CG 4.37Å; T270-I293 HydrophobicContact CG2-CG1 4.35Å; T270-L296 HydrophobicContact CG2-CD1 4.04Å
271C97.6Very high95.2Very high8 Ų811 Ų115%0.0547%0.065CC..Hα-helixtrans-63-41.7175.8-68.80000112.3V241 L267 A268 A269 A274 Q275 V282V241-C271 HydrophobicContact CG1-CB 4.32Å; L267-C271 PolarHBondContact O-N 3.28Å; L267-C271 PolarHBondContact O-SG 2.89Å; A268-C271 PolarHBondContact O-N 3.45Å; A269-C271 PolarHBondContact O-N 2.86Å; C271-A274 PolarHBondContact O-N 2.67Å; C271-Q275 PolarHBondContact O-N 3.45Å; C271-V282 WeakPolarHBondContact CB-O 3.31Å
272L97.4Very high95.4Very high1 Ų111 Ų111%0.0056%0.064CC..Hα-helixtrans-65.5-45.6179-174.262.3000111.9A238 V241 L245 A268 A269 Q275 I276 R371A238-L272 HydrophobicContact CB-CD1 4.35Å; V241-L272 HydrophobicContact CG1-CB 3.94Å; L245-L272 HydrophobicContact CD2-CD2 4.47Å; A268-L272 WeakPolarHBondContact O-CB 3.32Å; A268-L272 PolarHBondContact O-N 3.26Å; A269-L272 PolarHBondContact O-N 3.03Å; L272-Q275 WeakPolarHBondContact O-CB 3.27Å; L272-Q275 PolarHBondContact O-N 3.41Å; L272-I276 HydrophobicContact CG-CD1 4.14Å; L272-I276 WeakPolarHBondContact O-CD1 3.5Å; L272-I276 WeakPolarHBondContact O-CG1 3.27Å; L272-I276 PolarHBondContact O-N 3Å; L272-R371 HydrophobicContact CD1-CB 4.29Å; L272-R371 HydrophobicContact CD1-CG 4.34Å
273F97.5Very high95.6Very high0 Ų011.6 Ų11.60%07%0.068CC..Hα-helixtrans-67.8-36.3176.6-63.8-46.2000112A269 Q275 I276 I277 L296 L324 V329 L330 L333 I363 V366A269-F273 HydrophobicContact CB-CD2 4.32Å; A269-F273 HydrophobicContact CB-CE2 3.99Å; A269-F273 WeakPolarHBondContact O-CD2 3.5Å; A269-F273 WeakPolarHBondContact O-CG 3.3Å; A269-F273 PolarHBondContact O-N 2.97Å; F273-Q275 VanDerWaalsContact C-N 3.26Å; F273-Q275 PolarHBondContact O-N 3.34Å; F273-I276 HydrophobicContact CD1-CD1 3.68Å; F273-I276 HydrophobicContact CE1-CD1 4.27Å; F273-I276 PolarHBondContact O-N 3.33Å; F273-I276 VanDerWaalsContact O-N 3.16Å; F273-I277 WeakPolarHBondContact O-CG1 3.44Å; F273-I277 PolarHBondContact O-N 3.12Å; F273-L296 HydrophobicContact CB-CD1 4.03Å; F273-L296 HydrophobicContact CB-CD2 4.12Å; F273-L324 HydrophobicContact CD1-CD1 3.6Å; F273-L324 HydrophobicContact CD1-CD2 4.48Å; F273-L324 HydrophobicContact CE1-CD1 3.91Å; F273-L324 HydrophobicContact CG-CD1 4.21Å; F273-V329 HydrophobicContact CE1-CG1 4.1Å; F273-V329 HydrophobicContact CE2-CG1 4.19Å; F273-V329 HydrophobicContact CE2-CG2 4.08Å; F273-V329 HydrophobicContact CZ-CB 4.41Å; F273-V329 HydrophobicContact CZ-CG1 3.82Å; F273-V329 HydrophobicContact CZ-CG2 3.66Å; F273-L330 HydrophobicContact CB-CD2 4.49Å; F273-L330 HydrophobicContact CD2-CD2 4.16Å; F273-L330 HydrophobicContact CG-CD2 4.41Å; F273-L333 HydrophobicContact CD2-CD2 3.99Å; F273-L333 HydrophobicContact CE2-CD2 4.4Å; F273-I363 HydrophobicContact CE2-CG2 4.03Å; F273-I363 HydrophobicContact CZ-CG2 4.21Å; F273-V366 HydrophobicContact CE1-CG1 4.23Å
274A96.9Very high95.7Very high0 Ų09.1 Ų9.10%05%0.053CC..Hα-helixtrans-60.8-39.2172.400000111.3T270 C271 I277 N278 V282 W295 L296T270-A274 VanDerWaalsContact O-CB 3.27Å; T270-A274 WeakPolarHBondContact O-CB 3.35Å; T270-A274 PolarHBondContact O-N 3.06Å; C271-A274 PolarHBondContact O-N 2.67Å; A274-I277 PolarHBondContact O-N 3.15Å; A274-N278 WeakPolarHBondContact O-CB 3.42Å; A274-N278 PolarHBondContact O-N 2.6Å; A274-V282 HydrophobicContact CB-CB 3.92Å; A274-V282 HydrophobicContact CB-CG1 4.23Å; A274-V282 HydrophobicContact CB-CG2 3.93Å; A274-W295 HydrophobicContact CB-CZ3 3.82Å; A274-L296 HydrophobicContact CB-CD2 4.02Å
275Q95.7Very high95.7Very high2 Ų28.2 Ų8.21%0.0095%0.048CC..Hα-helixtrans-65.3-41.9173.1176.7168.45.400113A234 C271 L272 F273 I277 N278 G279 W280 L374 Y375A234-Q275 PolarHBondContact O-NE2 2.77Å; C271-Q275 PolarHBondContact O-N 3.45Å; L272-Q275 WeakPolarHBondContact O-CB 3.27Å; L272-Q275 PolarHBondContact O-N 3.41Å; F273-Q275 VanDerWaalsContact C-N 3.26Å; F273-Q275 PolarHBondContact O-N 3.34Å; Q275-I277 VanDerWaalsContact C-N 3.31Å; Q275-I277 PolarHBondContact O-N 3.49Å; Q275-N278 PolarHBondContact O-N 2.93Å; Q275-G279 VanDerWaalsContact O-CA 3.26Å; Q275-G279 WeakPolarHBondContact O-CA 3.45Å; Q275-G279 PolarHBondContact O-N 2.94Å; Q275-W280 WeakPolarHBondContact CA-O 3.28Å; Q275-L374 HydrophobicContact CG-CD2 4.12Å; Q275-Y375 PolarHBondContact NE2-OH 3.25Å
276I94.6Very high95.6Very high0 Ų010.2 Ų10.20%07%0.068CC..Hα-helixtrans-61.6-43.4175.8-68.3152.4000110.2L272 F273 H317 A320 L324 C370 L374L272-I276 HydrophobicContact CG-CD1 4.14Å; L272-I276 WeakPolarHBondContact O-CD1 3.5Å; L272-I276 WeakPolarHBondContact O-CG1 3.27Å; L272-I276 PolarHBondContact O-N 3Å; F273-I276 HydrophobicContact CD1-CD1 3.68Å; F273-I276 HydrophobicContact CE1-CD1 4.27Å; F273-I276 PolarHBondContact O-N 3.33Å; F273-I276 VanDerWaalsContact O-N 3.16Å; I276-H317 PolarHBondContact O-CD2 3.45Å; I276-H317 PolarHBondContact O-NE2 3.23Å; I276-A320 HydrophobicContact CG2-CB 4.17Å; I276-L324 HydrophobicContact CB-CD2 4.4Å; I276-L324 HydrophobicContact CG2-CB 4.32Å; I276-L324 HydrophobicContact CG2-CD2 3.91Å; I276-C370 HydrophobicContact CD1-CB 3.21Å; I276-C370 HydrophobicContact CG1-CB 3.81Å; I276-C370 HydrophobicContact CG2-CB 4.19Å; I276-L374 HydrophobicContact CG1-CD2 4.5Å
277I94.1Very high95.4Very high0 Ų017.6 Ų17.60%010%0.1CC..Hα-helixtrans-61.9-59.5175.6-67.7-173.4000109.5F273 A274 Q275 G279 W295 L296 A299 L300 K303 H317 L321 L324F273-I277 WeakPolarHBondContact O-CG1 3.44Å; F273-I277 PolarHBondContact O-N 3.12Å; A274-I277 PolarHBondContact O-N 3.15Å; Q275-I277 VanDerWaalsContact C-N 3.31Å; Q275-I277 PolarHBondContact O-N 3.49Å; I277-G279 PolarHBondContact O-N 3.45Å; I277-W295 HydrophobicContact CB-CH2 4.46Å; I277-W295 HydrophobicContact CG2-CH2 4.03Å; I277-L296 HydrophobicContact CD1-CB 4.36Å; I277-L296 HydrophobicContact CD1-CD2 3.6Å; I277-L296 HydrophobicContact CG1-CD2 4.37Å; I277-A299 HydrophobicContact CD1-CB 4.28Å; I277-A299 HydrophobicContact CG2-CB 3.85Å; I277-L300 HydrophobicContact CD1-CB 4.11Å; I277-L300 HydrophobicContact CD1-CD1 4.24Å; I277-L300 HydrophobicContact CG1-CD1 4.37Å; I277-K303 VanDerWaalsContact C-NZ 3.34Å; I277-K303 HydrophobicContact CG2-CD 4.02Å; I277-K303 PolarHBondContact O-NZ 3.27Å; I277-H317 PolarHBondContact O-CE1 3.41Å; I277-H317 PolarHBondContact O-NE2 3.04Å; I277-H317 VanDerWaalsContact O-NE2 3.14Å; I277-L321 HydrophobicContact CG1-CD2 4.44Å; I277-L324 HydrophobicContact CD1-CD2 4.24Å; I277-L324 HydrophobicContact CG1-CD2 3.76Å
278N90.7Very high95.3Very high19 Ų1915.9 Ų15.910%0.1029%0.092CC..Hα-helixtrans-79.2-18.7-169.6-68.6-18.9000115.2G77 A274 Q275 W280 W295G77-N278 PolarHBondContact O-ND2 3.31Å; A274-N278 WeakPolarHBondContact O-CB 3.42Å; A274-N278 PolarHBondContact O-N 2.6Å; Q275-N278 PolarHBondContact O-N 2.93Å; N278-W280 PolarHBondContact O-N 3.27Å; N278-W295 WeakPolarHBondContact ND2-CH2 3.49Å; N278-W295 WeakPolarHBondContact OD1-CH2 3.47Å
279G91.1Very high95.2Very high16 Ų1616.4 Ų16.417%0.1659%0.094CC..SBendtrans78.4-3.5-171.700000114.2Q275 I277Q275-G279 VanDerWaalsContact O-CA 3.26Å; Q275-G279 WeakPolarHBondContact O-CA 3.45Å; Q275-G279 PolarHBondContact O-N 2.94Å; I277-G279 PolarHBondContact O-N 3.45Å
280W93.9Very high95Very high39 Ų3919.3 Ų19.315%0.14811%0.113CC..SBendtrans-130.9144.1-178.7-64.3101.5000110.4L73 R76 E230 A234 Q275 N278L73-W280 HydrophobicContact CD2-CE3 3.68Å; L73-W280 HydrophobicContact CD2-CH2 4.49Å; L73-W280 HydrophobicContact CD2-CZ3 3.49Å; L73-W280 VanDerWaalsContact CD2-CZ3 3.49Å; R76-W280 HydrophobicContact CG-CD2 4.43Å; R76-W280 HydrophobicContact CG-CG 4.06Å; R76-W280 VanDerWaalsContact CZ-NE1 3.26Å; R76-W280 VanDerWaalsContact NH2-CE2 3.28Å; R76-W280 VanDerWaalsContact NH2-NE1 3.16Å; E230-W280 HydrophobicContact CB-CH2 4.4Å; E230-W280 HydrophobicContact CB-CZ3 4.29Å; A234-W280 HydrophobicContact CB-CE3 4.38Å; A234-W280 HydrophobicContact CB-CZ3 4.37Å; Q275-W280 WeakPolarHBondContact CA-O 3.28Å; N278-W280 PolarHBondContact O-N 3.27Å
281P96.8Very high94.9Very high2 Ų223 Ų231%0.01313%0.13CC..  trans-61.4146.9-17528.3-35.6000111.2L73 L74 G77 A234 L237L73-P281 HydrophobicContact CB-CG 3.85Å; L74-P281 WeakPolarHBondContact CA-O 3.27Å; L74-P281 HydrophobicContact CD2-CB 3.88Å; L74-P281 HydrophobicContact CD2-CG 4.24Å; G77-P281 WeakPolarHBondContact CA-O 3.38Å; A234-P281 HydrophobicContact CB-CG 4.47Å; L237-P281 HydrophobicContact CB-CB 4.23Å; L237-P281 HydrophobicContact CD1-CB 4.13Å; L237-P281 HydrophobicContact CD1-CG 3.79Å
282V96.4Very high94.9Very high6 Ų622.6 Ų22.64%0.03613%0.128CC..  trans-127.4146.3176.31780000108.2I78 I81 C271 A274I78-V282 HydrophobicContact CG1-CG1 4.12Å; I81-V282 HydrophobicContact CD1-CG1 4.33Å; C271-V282 WeakPolarHBondContact CB-O 3.31Å; A274-V282 HydrophobicContact CB-CB 3.92Å; A274-V282 HydrophobicContact CB-CG1 4.23Å; A274-V282 HydrophobicContact CB-CG2 3.93Å
283T95.9Very high94.8Very high14 Ų1422.8 Ų22.89%0.08613%0.129CC..  trans-130.9151172.8-171.40000109.3L74 I78 L94 Y98L74-T283 HydrophobicContact CB-CG2 4.48Å; L74-T283 HydrophobicContact CD1-CG2 4.13Å; L74-T283 HydrophobicContact CD2-CG2 3.98Å; L74-T283 HydrophobicContact CG-CG2 4.44Å; I78-T283 HydrophobicContact CD1-CG2 4.31Å; L94-T283 HydrophobicContact CB-CG2 4.49Å; L94-T283 HydrophobicContact CD1-CG2 3.75Å; Y98-T283 HydrophobicContact CD2-CG2 4.23Å; Y98-T283 HydrophobicContact CE2-CG2 3.6Å; Y98-T283 PolarHBondContact OH-OG1 3.11Å
284A95.6Very high94.8Very high5 Ų527.4 Ų27.44%0.04115%0.153CC..  trans-152150.7-174.100000111.8L90 L267 L292L90-A284 HydrophobicContact CD2-CB 3.51Å; L267-A284 HydrophobicContact CD1-CB 4.19Å; L267-A284 WeakPolarHBondContact CD1-O 3.44Å; A284-L292 HydrophobicContact CB-CD1 3.34Å
285P94Very high94.7Very high22 Ų2227.5 Ų27.514%0.14315%0.154CC..  trans-76.6151.3162.532.6-28.8000109.9H93 K287 C288H93-P285 HydrophobicContact CB-CG 4.07Å; H93-P285 VanDerWaalsContact CG-CD 3.49Å; P285-K287 HydrophobicContact CB-CG 4.12Å; P285-K287 HydrophobicContact CG-CG 3.94Å; P285-K287 PolarHBondContact O-N 3.07Å; P285-C288 HydrophobicContact CG-CB 4.24Å; P285-C288 VanDerWaalsContact CG-SG 3.57Å; P285-C288 PolarHBondContact O-N 3.49Å
286G92.5Very high94.8Very high41 Ų4127.4 Ų27.442%0.42315%0.154SC..G310 helixtrans-52.8-32.2-179.900000114.6C288 V289G286-C288 PolarHBondContact O-N 3.37Å; G286-V289 VanDerWaalsContact O-CB 3.32Å; G286-V289 WeakPolarHBondContact O-CB 3.5Å; G286-V289 VanDerWaalsContact O-CG2 3.32Å; G286-V289 WeakPolarHBondContact O-CG2 3.49Å; G286-V289 PolarHBondContact O-N 3.09Å
287K93.3Very high94.8Very high157 Ų15729.6 Ų29.668%0.68316%0.163SC*.G310 helixtrans-63.4-23.717867.6176.2-174.4169.50114.8P285P285-K287 HydrophobicContact CB-CG 4.12Å; P285-K287 HydrophobicContact CG-CG 3.94Å; P285-K287 PolarHBondContact O-N 3.07Å
288C94.8Very high94.8Very high0 Ų034.1 Ų34.10%018%0.184CC..G310 helixtrans-92.6-2.9-179.9-62.50000112.4L86 Q89 L90 P285 G286 E291 L292L86-C288 HydrophobicContact CD1-CB 3.84Å; Q89-C288 PolarHBondContact OE1-SG 3.3Å; L90-C288 HydrophobicContact CD2-CB 4.08Å; P285-C288 HydrophobicContact CG-CB 4.24Å; P285-C288 VanDerWaalsContact CG-SG 3.57Å; P285-C288 PolarHBondContact O-N 3.49Å; G286-C288 PolarHBondContact O-N 3.37Å; C288-E291 PolarHBondContact O-N 3.43Å; C288-L292 HydrophobicContact CB-CD1 4.43Å; C288-L292 WeakPolarHBondContact O-CB 3.3Å; C288-L292 WeakPolarHBondContact O-CG 3.07Å; C288-L292 PolarHBondContact O-N 3.39Å
289V95.3Very high95Very high12 Ų1233.5 Ų33.57%0.07318%0.182CC..Hα-helixtrans-58.7-44.8-177.3169.70000112.5T266 L267 G286 L292 I293T266-V289 HydrophobicContact CG2-CG1 3.66Å; L267-V289 HydrophobicContact CB-CG2 4.17Å; L267-V289 HydrophobicContact CD1-CG2 3.54Å; L267-V289 HydrophobicContact CG-CG2 4.46Å; G286-V289 VanDerWaalsContact O-CB 3.32Å; G286-V289 WeakPolarHBondContact O-CB 3.5Å; G286-V289 VanDerWaalsContact O-CG2 3.32Å; G286-V289 WeakPolarHBondContact O-CG2 3.49Å; G286-V289 PolarHBondContact O-N 3.09Å; V289-L292 PolarHBondContact O-N 3.42Å; V289-I293 HydrophobicContact CG1-CD1 3.76Å; V289-I293 HydrophobicContact CG1-CG1 4.31Å; V289-I293 VanDerWaalsContact O-CG1 3.31Å; V289-I293 WeakPolarHBondContact O-CG1 3.41Å; V289-I293 PolarHBondContact O-N 2.99Å
290P94.3Very high95Very high62 Ų6233.8 Ų33.840%0.40318%0.179SC..Hα-helixtrans-58.9-50.4177.9-2535.7000112.9L292 I293 D294P290-L292 VanDerWaalsContact C-N 3.27Å; P290-L292 PolarHBondContact O-N 2.95Å; P290-I293 WeakPolarHBondContact O-CB 3.45Å; P290-I293 PolarHBondContact O-N 3.35Å; P290-I293 VanDerWaalsContact O-N 3.09Å; P290-D294 PolarHBondContact O-N 2.91Å
291E95.3Very high94.7Very high76 Ų7638.3 Ų38.336%0.35520%0.2SC..Hα-helixtrans-61.5-35.9177.8-65.7176.6-151.700112L86 C288 W295L86-E291 HydrophobicContact CD1-CB 4.07Å; L86-E291 HydrophobicContact CD2-CB 4.14Å; C288-E291 PolarHBondContact O-N 3.43Å; E291-W295 WeakPolarHBondContact O-CB 3.34Å; E291-W295 PolarHBondContact O-N 3.31Å
292L96.3Very high94.2Very high1 Ų140.6 Ų40.61%0.00522%0.216CC..Hα-helixtrans-67.8-38174.4-83.4167.9000112.6I81 L86 L90 T270 A284 C288 V289 P290 W295 L296I81-L292 HydrophobicContact CD1-CD2 3.85Å; L86-L292 HydrophobicContact CD1-CG 4.27Å; L86-L292 HydrophobicContact CD2-CD2 3.96Å; L86-L292 HydrophobicContact CD2-CG 4.1Å; L90-L292 HydrophobicContact CD1-CD2 4.01Å; L90-L292 HydrophobicContact CD2-CD1 4.16Å; T270-L292 HydrophobicContact CG2-CB 3.47Å; T270-L292 VanDerWaalsContact CG2-CB 3.47Å; T270-L292 HydrophobicContact CG2-CD1 4.09Å; T270-L292 HydrophobicContact CG2-CG 4.37Å; A284-L292 HydrophobicContact CB-CD1 3.34Å; C288-L292 HydrophobicContact CB-CD1 4.43Å; C288-L292 WeakPolarHBondContact O-CB 3.3Å; C288-L292 WeakPolarHBondContact O-CG 3.07Å; C288-L292 PolarHBondContact O-N 3.39Å; V289-L292 PolarHBondContact O-N 3.42Å; P290-L292 VanDerWaalsContact C-N 3.27Å; P290-L292 PolarHBondContact O-N 2.95Å; L292-W295 HydrophobicContact CD2-CE3 4.24Å; L292-W295 PolarHBondContact O-N 3.49Å; L292-L296 VanDerWaalsContact O-CG 3.26Å; L292-L296 WeakPolarHBondContact O-CG 3.26Å; L292-L296 PolarHBondContact O-N 3.14Å
293I96.8Very high93.5Very high4 Ų441.7 Ų41.72%0.02122%0.221CC..Hα-helixtrans-63-45.4176-70.6168000109.8T266 T270 V289 P290 W295 L296 F297 L333 A337T266-I293 HydrophobicContact CG2-CD1 4.13Å; T270-I293 HydrophobicContact CG2-CG1 4.35Å; V289-I293 HydrophobicContact CG1-CD1 3.76Å; V289-I293 HydrophobicContact CG1-CG1 4.31Å; V289-I293 VanDerWaalsContact O-CG1 3.31Å; V289-I293 WeakPolarHBondContact O-CG1 3.41Å; V289-I293 PolarHBondContact O-N 2.99Å; P290-I293 WeakPolarHBondContact O-CB 3.45Å; P290-I293 PolarHBondContact O-N 3.35Å; P290-I293 VanDerWaalsContact O-N 3.09Å; I293-W295 VanDerWaalsContact C-N 3.32Å; I293-W295 PolarHBondContact O-N 2.95Å; I293-L296 WeakPolarHBondContact O-CB 3.46Å; I293-L296 PolarHBondContact O-N 2.85Å; I293-L296 VanDerWaalsContact O-N 3.12Å; I293-F297 HydrophobicContact CG2-CD2 4.07Å; I293-F297 HydrophobicContact CG2-CE2 3.8Å; I293-F297 VanDerWaalsContact O-CD2 3.26Å; I293-F297 WeakPolarHBondContact O-CD2 3.07Å; I293-F297 PolarHBondContact O-N 3.4Å; I293-F297 VanDerWaalsContact O-N 3.14Å; I293-L333 HydrophobicContact CD1-CD2 4.3Å; I293-L333 HydrophobicContact CD1-CG 3.96Å; I293-L333 HydrophobicContact CG1-CD2 3.87Å; I293-L333 HydrophobicContact CG1-CG 4.1Å; I293-A337 HydrophobicContact CD1-CB 3.51Å
294D95.8Very high92.3Very high97 Ų9744.9 Ų44.952%0.51924%0.24SC..Hα-helixtrans-58.5-46.2175-67.7-25.4000111P290 L296 F297 E298P290-D294 PolarHBondContact O-N 2.91Å; D294-L296 VanDerWaalsContact C-N 3.34Å; D294-L296 PolarHBondContact O-N 3.23Å; D294-F297 PolarHBondContact O-N 3.2Å; D294-E298 PolarHBondContact O-N 2.97Å; D294-E298 VanDerWaalsContact O-N 3.13Å
295W96.4Very high90.6Very high3 Ų351.6 Ų51.61%0.01127%0.27CS..Hα-helixtrans-60.6-38.9174.5174.177.7000112.9I81 N82 H83 L86 A274 I277 N278 E291 L292 I293 F297 E298 A299I81-W295 HydrophobicContact CB-CZ2 4.48Å; I81-W295 HydrophobicContact CG1-CD2 4.21Å; I81-W295 HydrophobicContact CG1-CE3 4.46Å; I81-W295 HydrophobicContact CG1-CH2 4.17Å; I81-W295 HydrophobicContact CG1-CZ2 3.86Å; I81-W295 HydrophobicContact CG1-CZ3 4.43Å; I81-W295 HydrophobicContact CG2-CD2 4.22Å; I81-W295 HydrophobicContact CG2-CG 4.12Å; N82-W295 PolarHBondContact OD1-NE1 3Å; H83-W295 AromaticContact CD2-CD1 3.69Å; L86-W295 HydrophobicContact CD2-CB 4.34Å; A274-W295 HydrophobicContact CB-CZ3 3.82Å; I277-W295 HydrophobicContact CB-CH2 4.46Å; I277-W295 HydrophobicContact CG2-CH2 4.03Å; N278-W295 WeakPolarHBondContact ND2-CH2 3.49Å; N278-W295 WeakPolarHBondContact OD1-CH2 3.47Å; E291-W295 WeakPolarHBondContact O-CB 3.34Å; E291-W295 PolarHBondContact O-N 3.31Å; L292-W295 HydrophobicContact CD2-CE3 4.24Å; L292-W295 PolarHBondContact O-N 3.49Å; I293-W295 VanDerWaalsContact C-N 3.32Å; I293-W295 PolarHBondContact O-N 2.95Å; W295-F297 VanDerWaalsContact C-N 3.32Å; W295-F297 PolarHBondContact O-N 2.82Å; W295-E298 PolarHBondContact O-N 3.06Å; W295-A299 HydrophobicContact CD2-CB 4.28Å; W295-A299 HydrophobicContact CH2-CB 4.16Å; W295-A299 HydrophobicContact CZ2-CB 3.74Å; W295-A299 WeakPolarHBondContact O-CB 3.23Å; W295-A299 PolarHBondContact O-N 2.86Å
296L96.8Very high89Confident0 Ų055.4 Ų55.40%029%0.289CS..Hα-helixtrans-59.3-43.9176.4-73.7173.3000110.9T270 F273 A274 I277 L292 I293 D294 L300 L330 L333T270-L296 HydrophobicContact CG2-CD1 4.04Å; F273-L296 HydrophobicContact CB-CD1 4.03Å; F273-L296 HydrophobicContact CB-CD2 4.12Å; A274-L296 HydrophobicContact CB-CD2 4.02Å; I277-L296 HydrophobicContact CD1-CB 4.36Å; I277-L296 HydrophobicContact CD1-CD2 3.6Å; I277-L296 HydrophobicContact CG1-CD2 4.37Å; L292-L296 VanDerWaalsContact O-CG 3.26Å; L292-L296 WeakPolarHBondContact O-CG 3.26Å; L292-L296 PolarHBondContact O-N 3.14Å; I293-L296 WeakPolarHBondContact O-CB 3.46Å; I293-L296 PolarHBondContact O-N 2.85Å; I293-L296 VanDerWaalsContact O-N 3.12Å; D294-L296 VanDerWaalsContact C-N 3.34Å; D294-L296 PolarHBondContact O-N 3.23Å; L296-L300 VanDerWaalsContact O-CB 3.24Å; L296-L300 WeakPolarHBondContact O-CB 3.49Å; L296-L300 PolarHBondContact O-N 3.36Å; L296-L330 HydrophobicContact CB-CD1 4.18Å; L296-L330 HydrophobicContact CB-CD2 4.29Å; L296-L330 HydrophobicContact CD1-CD2 4.11Å; L296-L333 HydrophobicContact CD1-CD2 4.01Å
297F95.3Very high87.3Confident46 Ų4655.8 Ų55.820%0.20228%0.28CS..Hα-helixtrans-62.3-46176.5-80.8-75000112.1I293 D294 W295 K301 L330 D331I293-F297 HydrophobicContact CG2-CD2 4.07Å; I293-F297 HydrophobicContact CG2-CE2 3.8Å; I293-F297 VanDerWaalsContact O-CD2 3.26Å; I293-F297 WeakPolarHBondContact O-CD2 3.07Å; I293-F297 PolarHBondContact O-N 3.4Å; I293-F297 VanDerWaalsContact O-N 3.14Å; D294-F297 PolarHBondContact O-N 3.2Å; W295-F297 VanDerWaalsContact C-N 3.32Å; W295-F297 PolarHBondContact O-N 2.82Å; F297-K301 VanDerWaalsContact O-CG 3.24Å; F297-K301 WeakPolarHBondContact O-CG 3.41Å; F297-K301 PolarHBondContact O-N 3.47Å; F297-K301 VanDerWaalsContact O-N 3.17Å; F297-L330 HydrophobicContact CD1-CB 4.21Å; F297-L330 HydrophobicContact CD1-CD1 4.25Å; F297-L330 HydrophobicContact CE1-CB 3.62Å; F297-L330 HydrophobicContact CE1-CD1 4.48Å; F297-L330 HydrophobicContact CE2-CB 4.14Å; F297-L330 VanDerWaalsContact CZ-C 3.44Å; F297-L330 HydrophobicContact CZ-CB 3.59Å; F297-L330 VanDerWaalsContact CZ-O 3.3Å; F297-L330 WeakPolarHBondContact CZ-O 3.49Å; F297-D331 WeakPolarHBondContact CE1-OD1 3.41Å
298E94.1Very high85.3Confident94 Ų9452.6 Ų52.644%0.43928%0.277SS..Hα-helixtrans-64.2-47177.9-68.3-179.317500112.1H83 D294 W295 L300 K301 S302H83-E298 IonicContact CD2-OE2 3.67Å; H83-E298 IonicContact CE1-OE2 3.64Å; H83-E298 IonicContact NE2-OE2 2.72Å; H83-E298 PolarHBondContact NE2-OE2 2.93Å; D294-E298 PolarHBondContact O-N 2.97Å; D294-E298 VanDerWaalsContact O-N 3.13Å; W295-E298 PolarHBondContact O-N 3.06Å; E298-L300 PolarHBondContact O-N 2.82Å; E298-K301 PolarHBondContact O-N 2.95Å; E298-S302 PolarHBondContact O-N 3.15Å
299A93.2Very high83.2Confident7 Ų759.4 Ų59.46%0.05831%0.314CS..Hα-helixtrans-64.5-40.2-178.600000111.5I277 W295 S302 K303I277-A299 HydrophobicContact CD1-CB 4.28Å; I277-A299 HydrophobicContact CG2-CB 3.85Å; W295-A299 HydrophobicContact CD2-CB 4.28Å; W295-A299 HydrophobicContact CH2-CB 4.16Å; W295-A299 HydrophobicContact CZ2-CB 3.74Å; W295-A299 WeakPolarHBondContact O-CB 3.23Å; W295-A299 PolarHBondContact O-N 2.86Å; A299-S302 PolarHBondContact O-N 3.21Å; A299-S302 PolarHBondContact O-OG 3.04Å; A299-K303 WeakPolarHBondContact O-CG 3.44Å; A299-K303 PolarHBondContact O-N 2.94Å
300L91.7Very high81.1Confident21 Ų2161.3 Ų61.311%0.1133%0.328CS..Hα-helixtrans-64.8-43.4177-165.166.9000111.4I277 L296 E298 K303 T304 L324 Q325 L330I277-L300 HydrophobicContact CD1-CB 4.11Å; I277-L300 HydrophobicContact CD1-CD1 4.24Å; I277-L300 HydrophobicContact CG1-CD1 4.37Å; L296-L300 VanDerWaalsContact O-CB 3.24Å; L296-L300 WeakPolarHBondContact O-CB 3.49Å; L296-L300 PolarHBondContact O-N 3.36Å; E298-L300 PolarHBondContact O-N 2.82Å; L300-K303 PolarHBondContact O-N 3.04Å; L300-T304 PolarHBondContact O-N 2.74Å; L300-T304 PolarHBondContact O-OG1 2.99Å; L300-T304 VanDerWaalsContact O-OG1 3.05Å; L300-L324 HydrophobicContact CD1-CD2 4.01Å; L300-L324 HydrophobicContact CD1-CG 4.15Å; L300-L324 HydrophobicContact CD2-CG 4.38Å; L300-Q325 HydrophobicContact CD1-CG 3.61Å; L300-Q325 HydrophobicContact CD2-CG 4.36Å; L300-Q325 HydrophobicContact CG-CG 3.94Å; L300-L330 HydrophobicContact CB-CD1 4.4Å; L300-L330 HydrophobicContact CD2-CD1 3.64Å
301K89.1Confident79Confident135 Ų13567.1 Ų67.159%0.58736%0.356SS*.Hα-helixtrans-59-47.8175.8-71.8171.3-171.3176.50111.7F297 E298 K303 T304F297-K301 VanDerWaalsContact O-CG 3.24Å; F297-K301 WeakPolarHBondContact O-CG 3.41Å; F297-K301 PolarHBondContact O-N 3.47Å; F297-K301 VanDerWaalsContact O-N 3.17Å; E298-K301 PolarHBondContact O-N 2.95Å; K301-K303 VanDerWaalsContact C-N 3.28Å; K301-K303 PolarHBondContact O-N 3.16Å; K301-T304 WeakPolarHBondContact O-CB 3.21Å; K301-T304 PolarHBondContact O-N 3.34Å
302S85.5Confident76.9Confident49 Ų4968 Ų6834%0.34338%0.376SS..Hα-helixtrans-61.3-33.3179.473.20000113.4E298 A299 E305 L306E298-S302 PolarHBondContact O-N 3.15Å; A299-S302 PolarHBondContact O-N 3.21Å; A299-S302 PolarHBondContact O-OG 3.04Å; S302-E305 PolarHBondContact O-N 3.32Å; S302-L306 PolarHBondContact O-N 2.84Å
303K81.7Confident75.1Confident30 Ų3071.2 Ų71.213%0.1339%0.39CS..Hα-helixtrans-75.3-31.2179.9-71.4-171.2-169.6-157.10113I277 A299 L300 K301 E305 L306 E307 L321I277-K303 VanDerWaalsContact C-NZ 3.34Å; I277-K303 HydrophobicContact CG2-CD 4.02Å; I277-K303 PolarHBondContact O-NZ 3.27Å; A299-K303 WeakPolarHBondContact O-CG 3.44Å; A299-K303 PolarHBondContact O-N 2.94Å; L300-K303 PolarHBondContact O-N 3.04Å; K301-K303 VanDerWaalsContact C-N 3.28Å; K301-K303 PolarHBondContact O-N 3.16Å; K303-E305 PolarHBondContact O-N 3.42Å; K303-L306 PolarHBondContact O-N 3.46Å; K303-E307 WeakPolarHBondContact O-CG 3.14Å; K303-E307 PolarHBondContact O-N 3.5Å; K303-E307 VanDerWaalsContact O-N 3.09Å; K303-L321 HydrophobicContact CD-CD1 4.3Å; K303-L321 HydrophobicContact CD-CD2 4.22Å
304T69.8Low73.5Confident81 Ų8173.6 Ų73.650%0.49741%0.407SS..Hα-helixtrans-58.9-36172.5-51.10000111.3L300 K301 Q325L300-T304 PolarHBondContact O-N 2.74Å; L300-T304 PolarHBondContact O-OG1 2.99Å; L300-T304 VanDerWaalsContact O-OG1 3.05Å; K301-T304 WeakPolarHBondContact O-CB 3.21Å; K301-T304 PolarHBondContact O-N 3.34Å; T304-Q325 PolarHBondContact OG1-NE2 3.26Å
305E61.5Low72.6Confident145 Ų14575.8 Ų75.868%0.67842%0.418SS*.Hα-helixtrans-72.1-39178.4-62.3174.218000111.9S302 K303 S308S302-E305 PolarHBondContact O-N 3.32Å; K303-E305 PolarHBondContact O-N 3.42Å; E305-S308 PolarHBondContact O-OG 3.08Å
306L59.1Low72.2Confident102 Ų10276.9 Ų76.953%0.53443%0.427SS..Hα-helixtrans-75.3-30.8-177-91.4146.8000114.6S302 K303 S308 N309S302-L306 PolarHBondContact O-N 2.84Å; K303-L306 PolarHBondContact O-N 3.46Å; L306-S308 PolarHBondContact O-N 3.18Å; L306-S308 VanDerWaalsContact O-N 3.13Å; L306-N309 PolarHBondContact O-N 2.82Å
307E56.7Low71.8Confident49 Ų4977.8 Ų77.823%0.22943%0.431CS..THydrogen-bonded Turntrans-66.8-12.2-178.9-76.6-173.6-174.600113.9K303 N309 L321K303-E307 WeakPolarHBondContact O-CG 3.14Å; K303-E307 PolarHBondContact O-N 3.5Å; K303-E307 VanDerWaalsContact O-N 3.09Å; E307-N309 PolarHBondContact O-N 3.42Å; E307-L321 WeakPolarHBondContact OE1-CD1 3.4Å
308S52Low71.4Confident90 Ų9077 Ų7763%0.62943%0.43SS*.THydrogen-bonded Turntrans-65.9-17.8168.263.60000113.6E305 L306E305-S308 PolarHBondContact O-OG 3.08Å; L306-S308 PolarHBondContact O-N 3.18Å; L306-S308 VanDerWaalsContact O-N 3.13Å
309N50.2Low71.2Confident143 Ų14375.3 Ų75.377%0.76543%0.426SS*.SBendtrans-1300.4-164.4-74.5-32.3000116.8L306 E307L306-N309 PolarHBondContact O-N 2.82Å; E307-N309 PolarHBondContact O-N 3.42Å
310S51.4Low71.2Confident53 Ų5375 Ų7537%0.37142%0.423SS..  trans-137.1115.3-172.972.90000115.9A312S310-A312 VanDerWaalsContact C-N 3.28Å; S310-A312 PolarHBondContact O-N 2.82Å
311N51.1Low71.2Confident184 Ų18474 Ų7498%0.98442%0.418SS*.  trans-81.514.1172.5-85.6-13.8000114.4
312A50Low71.4Confident95 Ų9573 Ų7379%0.78541%0.414SS*.  trans-102.8-5.5-162.400000116.4S310S310-A312 VanDerWaalsContact C-N 3.28Å; S310-A312 PolarHBondContact O-N 2.82Å
313K58.3Low71.7Confident67 Ų6772.8 Ų72.829%0.29141%0.408SS..SBendtrans-90.9146.9177.5-73.3175.3-178.7167.50110.6N315 V318K313-N315 PolarHBondContact O-N 3.18Å; K313-V318 HydrophobicContact CB-CG2 3.6Å; K313-V318 HydrophobicContact CD-CG2 4.39Å
314S63Low72.3Confident55 Ų5571.3 Ų71.339%0.38540%0.402SS..  trans-56138.1174.666.50000109.8S316 H317 V318S314-S316 PolarHBondContact O-N 3.14Å; S314-S316 PolarHBondContact OG-OG 3.19Å; S314-H317 PolarHBondContact O-N 2.99Å; S314-V318 PolarHBondContact O-N 3.2Å
315N77.8Confident73.4Confident142 Ų14270.2 Ų70.276%0.75939%0.391SS*.Hα-helixtrans-52.4-31-179.6-74.1-11.3000112.3K313 T319K313-N315 PolarHBondContact O-N 3.18Å; N315-T319 WeakPolarHBondContact O-CB 3.41Å; N315-T319 PolarHBondContact O-N 2.87Å; N315-T319 PolarHBondContact O-OG1 3.38Å
316S87.2Confident74.8Confident26 Ų2667.6 Ų67.618%0.18239%0.394CS..Hα-helixtrans-62.9-49.1175.758.50000113.5S314 T319 A320 Q373 L374S314-S316 PolarHBondContact O-N 3.14Å; S314-S316 PolarHBondContact OG-OG 3.19Å; S316-T319 PolarHBondContact O-N 3.3Å; S316-A320 PolarHBondContact O-N 3.29Å; S316-Q373 CarbonylContact C-O 3.56Å; S316-Q373 WeakPolarHBondContact CA-O 3.08Å; S316-Q373 WeakPolarHBondContact CB-O 3.35Å; S316-L374 PolarHBondContact OG-O 3.07Å
317H88.5Confident76.3Confident19 Ų1963.7 Ų63.79%0.08838%0.376CS..Hα-helixtrans-65.2-44.1-179-177.6-139.1000111.5I276 I277 S314 T319 A320 L321 L374I276-H317 PolarHBondContact O-CD2 3.45Å; I276-H317 PolarHBondContact O-NE2 3.23Å; I277-H317 PolarHBondContact O-CE1 3.41Å; I277-H317 PolarHBondContact O-NE2 3.04Å; I277-H317 VanDerWaalsContact O-NE2 3.14Å; S314-H317 PolarHBondContact O-N 2.99Å; H317-T319 VanDerWaalsContact C-N 3.31Å; H317-T319 PolarHBondContact O-N 3.44Å; H317-A320 PolarHBondContact O-N 3.21Å; H317-L321 WeakPolarHBondContact O-CG 3.35Å; H317-L321 PolarHBondContact O-N 3.04Å; H317-L374 HydrophobicContact CB-CD1 4.2Å; H317-L374 VanDerWaalsContact CD2-CD1 3.47Å; H317-L374 WeakPolarHBondContact CD2-CD1 3.35Å
318V86.9Confident78Confident30 Ų3065.7 Ų65.718%0.18239%0.388CS..Hα-helixtrans-61.7-40.9176.5178.90000110.9K313 S314 L321 K322K313-V318 HydrophobicContact CB-CG2 3.6Å; K313-V318 HydrophobicContact CD-CG2 4.39Å; S314-V318 PolarHBondContact O-N 3.2Å; V318-L321 PolarHBondContact O-N 3.46Å; V318-K322 HydrophobicContact CG1-CD 4.18Å; V318-K322 WeakPolarHBondContact O-CG 3.31Å; V318-K322 PolarHBondContact O-N 3.49Å
319T90.6Very high80.2Confident58 Ų5861.4 Ų61.436%0.35636%0.358SS..Hα-helixtrans-64.2-44.1178-58.30000111.5N315 S316 H317 K322 I323 Q373N315-T319 WeakPolarHBondContact O-CB 3.41Å; N315-T319 PolarHBondContact O-N 2.87Å; N315-T319 PolarHBondContact O-OG1 3.38Å; S316-T319 PolarHBondContact O-N 3.3Å; H317-T319 VanDerWaalsContact C-N 3.31Å; H317-T319 PolarHBondContact O-N 3.44Å; T319-K322 PolarHBondContact O-N 2.88Å; T319-I323 WeakPolarHBondContact O-CG1 3.48Å; T319-I323 PolarHBondContact O-N 2.91Å; T319-I323 VanDerWaalsContact O-N 3.12Å; T319-Q373 HydrophobicContact CG2-CB 4.22Å; T319-Q373 HydrophobicContact CG2-CG 4.12Å
320A93.1Very high82.3Confident0 Ų054.9 Ų54.90%032%0.323CS..Hα-helixtrans-62.6-42.417600000112.5I276 S316 H317 I323 L324 C370 Q373 L374I276-A320 HydrophobicContact CG2-CB 4.17Å; S316-A320 PolarHBondContact O-N 3.29Å; H317-A320 PolarHBondContact O-N 3.21Å; A320-I323 PolarHBondContact O-N 3.16Å; A320-L324 PolarHBondContact O-N 3.45Å; A320-L324 VanDerWaalsContact O-N 3.09Å; A320-C370 WeakPolarHBondContact CB-O 3.45Å; A320-Q373 HydrophobicContact CB-CB 4.1Å; A320-L374 HydrophobicContact CB-CB 4.08Å; A320-L374 HydrophobicContact CB-CD1 4.5Å
321L92.7Very high84.4Confident0 Ų056.1 Ų56.10%033%0.325CS..Hα-helixtrans-60.3-43.9175.2-76.2172.8000112I277 K303 E307 H317 V318 I323 L324 Q325I277-L321 HydrophobicContact CG1-CD2 4.44Å; K303-L321 HydrophobicContact CD-CD1 4.3Å; K303-L321 HydrophobicContact CD-CD2 4.22Å; E307-L321 WeakPolarHBondContact OE1-CD1 3.4Å; H317-L321 WeakPolarHBondContact O-CG 3.35Å; H317-L321 PolarHBondContact O-N 3.04Å; V318-L321 PolarHBondContact O-N 3.46Å; L321-I323 VanDerWaalsContact C-N 3.34Å; L321-I323 PolarHBondContact O-N 3.43Å; L321-L324 WeakPolarHBondContact O-CB 2.9Å; L321-L324 PolarHBondContact O-N 3.08Å; L321-Q325 WeakPolarHBondContact O-CB 3.47Å; L321-Q325 VanDerWaalsContact O-CG 3.31Å; L321-Q325 WeakPolarHBondContact O-CG 3.47Å; L321-Q325 PolarHBondContact O-N 3.11Å
322K91.5Very high86.5Confident116 Ų11647.8 Ų47.850%0.50428%0.281SS..Hα-helixtrans-63.3-38.2178.2-76177.7178.3-179.70113V318 T319 Q325 A326V318-K322 HydrophobicContact CG1-CD 4.18Å; V318-K322 WeakPolarHBondContact O-CG 3.31Å; V318-K322 PolarHBondContact O-N 3.49Å; T319-K322 PolarHBondContact O-N 2.88Å; K322-Q325 PolarHBondContact O-N 3.27Å; K322-A326 VanDerWaalsContact O-CB 3.29Å; K322-A326 WeakPolarHBondContact O-CB 3.46Å; K322-A326 PolarHBondContact O-N 3.07Å
323I93.4Very high88.8Confident43 Ų4343.3 Ų43.322%0.22124%0.244CC..Hα-helixtrans-62.6-46.7173.6-66.7170.3000109.9T319 A320 L321 Q325 A326 S327 Q369 C370 Q373T319-I323 WeakPolarHBondContact O-CG1 3.48Å; T319-I323 PolarHBondContact O-N 2.91Å; T319-I323 VanDerWaalsContact O-N 3.12Å; A320-I323 PolarHBondContact O-N 3.16Å; L321-I323 VanDerWaalsContact C-N 3.34Å; L321-I323 PolarHBondContact O-N 3.43Å; I323-Q325 PolarHBondContact O-N 2.85Å; I323-A326 PolarHBondContact O-N 2.74Å; I323-S327 WeakPolarHBondContact O-CB 3.26Å; I323-S327 PolarHBondContact O-N 3.41Å; I323-S327 PolarHBondContact O-OG 3.48Å; I323-Q369 HydrophobicContact CG2-CB 4.42Å; I323-C370 VanDerWaalsContact CG2-SG 3.54Å; I323-Q373 HydrophobicContact CD1-CB 4.3Å; I323-Q373 HydrophobicContact CD1-CG 3.57Å
324L94.5Very high90.5Very high0 Ų041.7 Ų41.70%024%0.241CC..Hα-helixtrans-61.3-43.2178.3-176.561000111.9F273 I276 I277 L300 A320 L321 S327 V329 L330F273-L324 HydrophobicContact CD1-CD1 3.6Å; F273-L324 HydrophobicContact CD1-CD2 4.48Å; F273-L324 HydrophobicContact CE1-CD1 3.91Å; F273-L324 HydrophobicContact CG-CD1 4.21Å; I276-L324 HydrophobicContact CB-CD2 4.4Å; I276-L324 HydrophobicContact CG2-CB 4.32Å; I276-L324 HydrophobicContact CG2-CD2 3.91Å; I277-L324 HydrophobicContact CD1-CD2 4.24Å; I277-L324 HydrophobicContact CG1-CD2 3.76Å; L300-L324 HydrophobicContact CD1-CD2 4.01Å; L300-L324 HydrophobicContact CD1-CG 4.15Å; L300-L324 HydrophobicContact CD2-CG 4.38Å; A320-L324 PolarHBondContact O-N 3.45Å; A320-L324 VanDerWaalsContact O-N 3.09Å; L321-L324 WeakPolarHBondContact O-CB 2.9Å; L321-L324 PolarHBondContact O-N 3.08Å; L324-S327 WeakPolarHBondContact CA-OG 3.43Å; L324-S327 PolarHBondContact O-N 3.36Å; L324-S327 PolarHBondContact O-OG 2.88Å; L324-V329 HydrophobicContact CD1-CG1 3.46Å; L324-V329 VanDerWaalsContact CD1-CG1 3.46Å; L324-L330 HydrophobicContact CD1-CD2 4.46Å
325Q92.2Very high92Very high57 Ų5742.7 Ų42.727%0.26624%0.238SC..Hα-helixtrans-64.4-38.5176.7-73.7169.2-27.800113.1L300 T304 L321 K322 I323 S327L300-Q325 HydrophobicContact CD1-CG 3.61Å; L300-Q325 HydrophobicContact CD2-CG 4.36Å; L300-Q325 HydrophobicContact CG-CG 3.94Å; T304-Q325 PolarHBondContact OG1-NE2 3.26Å; L321-Q325 WeakPolarHBondContact O-CB 3.47Å; L321-Q325 VanDerWaalsContact O-CG 3.31Å; L321-Q325 WeakPolarHBondContact O-CG 3.47Å; L321-Q325 PolarHBondContact O-N 3.11Å; K322-Q325 PolarHBondContact O-N 3.27Å; I323-Q325 PolarHBondContact O-N 2.85Å; Q325-S327 VanDerWaalsContact C-N 3.3Å
326A91.4Very high92.8Very high91 Ų9135.9 Ų35.975%0.75220%0.202SC*.Hα-helixtrans-74.8-23.4177.800000112.3K322 I323K322-A326 VanDerWaalsContact O-CB 3.29Å; K322-A326 WeakPolarHBondContact O-CB 3.46Å; K322-A326 PolarHBondContact O-N 3.07Å; I323-A326 PolarHBondContact O-N 2.74Å
327S90Very high93.1Very high20 Ų2035.2 Ų35.214%0.1420%0.198CC..SBendtrans-84.4130.2176.371.40000111I323 L324 Q325 V329 V366I323-S327 WeakPolarHBondContact O-CB 3.26Å; I323-S327 PolarHBondContact O-N 3.41Å; I323-S327 PolarHBondContact O-OG 3.48Å; L324-S327 WeakPolarHBondContact CA-OG 3.43Å; L324-S327 PolarHBondContact O-N 3.36Å; L324-S327 PolarHBondContact O-OG 2.88Å; Q325-S327 VanDerWaalsContact C-N 3.3Å; S327-V329 PolarHBondContact O-N 2.91Å; S327-V329 WeakPolarHBondContact OG-CG1 3.29Å; S327-V366 WeakPolarHBondContact OG-CG1 3.24Å
328N93.2Very high93.3Very high91 Ų9138.4 Ų38.449%0.48722%0.216SC..THydrogen-bonded Turntrans-7425.3166.762.4-23.8000112.4L330 D331 D332 H362N328-L330 VanDerWaalsContact C-N 3.29Å; N328-L330 PolarHBondContact O-N 2.84Å; N328-D331 WeakPolarHBondContact O-CB 3.43Å; N328-D331 PolarHBondContact O-N 3.45Å; N328-D331 VanDerWaalsContact O-N 3.14Å; N328-D332 PolarHBondContact O-N 2.88Å; N328-H362 PolarHBondContact OD1-CE1 3.22Å; N328-H362 VanDerWaalsContact OD1-CE1 3.25Å
329V96.3Very high93.6Very high0 Ų037.2 Ų37.20%021%0.208CC..Hα-helixtrans-67.8-28.1-171.376.50000113F273 L324 S327 D331 D332 L333 I363 V366F273-V329 HydrophobicContact CE1-CG1 4.1Å; F273-V329 HydrophobicContact CE2-CG1 4.19Å; F273-V329 HydrophobicContact CE2-CG2 4.08Å; F273-V329 HydrophobicContact CZ-CB 4.41Å; F273-V329 HydrophobicContact CZ-CG1 3.82Å; F273-V329 HydrophobicContact CZ-CG2 3.66Å; L324-V329 HydrophobicContact CD1-CG1 3.46Å; L324-V329 VanDerWaalsContact CD1-CG1 3.46Å; S327-V329 PolarHBondContact O-N 2.91Å; S327-V329 WeakPolarHBondContact OG-CG1 3.29Å; V329-D331 VanDerWaalsContact C-N 3.28Å; V329-D331 PolarHBondContact O-N 3.33Å; V329-D332 PolarHBondContact O-N 3.27Å; V329-L333 WeakPolarHBondContact O-CB 3.37Å; V329-L333 PolarHBondContact O-N 3.32Å; V329-I363 HydrophobicContact CG2-CB 4.2Å; V329-I363 HydrophobicContact CG2-CG1 3.78Å; V329-V366 HydrophobicContact CB-CB 4.24Å; V329-V366 HydrophobicContact CB-CG1 4.04Å; V329-V366 HydrophobicContact CB-CG2 4.24Å; V329-V366 HydrophobicContact CG1-CG1 3.9Å; V329-V366 HydrophobicContact CG2-CB 3.95Å; V329-V366 HydrophobicContact CG2-CG1 4.18Å; V329-V366 HydrophobicContact CG2-CG2 4.18Å
330L95.8Very high93.6Very high6 Ų635.6 Ų35.63%0.03120%0.197CC..Hα-helixtrans-69.1-30.6176.4-63.8-171.7000111.4F273 L296 F297 L300 L324 N328 L333 S334F273-L330 HydrophobicContact CB-CD2 4.49Å; F273-L330 HydrophobicContact CD2-CD2 4.16Å; F273-L330 HydrophobicContact CG-CD2 4.41Å; L296-L330 HydrophobicContact CB-CD1 4.18Å; L296-L330 HydrophobicContact CB-CD2 4.29Å; L296-L330 HydrophobicContact CD1-CD2 4.11Å; F297-L330 HydrophobicContact CD1-CB 4.21Å; F297-L330 HydrophobicContact CD1-CD1 4.25Å; F297-L330 HydrophobicContact CE1-CB 3.62Å; F297-L330 HydrophobicContact CE1-CD1 4.48Å; F297-L330 HydrophobicContact CE2-CB 4.14Å; F297-L330 VanDerWaalsContact CZ-C 3.44Å; F297-L330 HydrophobicContact CZ-CB 3.59Å; F297-L330 VanDerWaalsContact CZ-O 3.3Å; F297-L330 WeakPolarHBondContact CZ-O 3.49Å; L300-L330 HydrophobicContact CB-CD1 4.4Å; L300-L330 HydrophobicContact CD2-CD1 3.64Å; L324-L330 HydrophobicContact CD1-CD2 4.46Å; N328-L330 VanDerWaalsContact C-N 3.29Å; N328-L330 PolarHBondContact O-N 2.84Å; L330-L333 HydrophobicContact CD2-CD2 4.28Å; L330-L333 PolarHBondContact O-N 2.71Å; L330-S334 WeakPolarHBondContact O-CB 3.33Å; L330-S334 PolarHBondContact O-N 2.89Å
331D95.5Very high93.5Very high79 Ų7938.6 Ų38.642%0.42222%0.218SC..Hα-helixtrans-66.7-43.3173.4-60.1-36.9000110.2F297 N328 V329 L333 S334 K335F297-D331 WeakPolarHBondContact CE1-OD1 3.41Å; N328-D331 WeakPolarHBondContact O-CB 3.43Å; N328-D331 PolarHBondContact O-N 3.45Å; N328-D331 VanDerWaalsContact O-N 3.14Å; V329-D331 VanDerWaalsContact C-N 3.28Å; V329-D331 PolarHBondContact O-N 3.33Å; D331-L333 VanDerWaalsContact C-N 3.35Å; D331-S334 WeakPolarHBondContact O-CB 3.41Å; D331-S334 PolarHBondContact O-N 2.99Å; D331-K335 VanDerWaalsContact O-CG 3.32Å; D331-K335 WeakPolarHBondContact O-CG 3.41Å; D331-K335 PolarHBondContact O-N 2.79Å
332D95.7Very high93.3Very high9 Ų941.9 Ų41.95%0.04823%0.233CC..Hα-helixtrans-63.7-40.7175.2-69.2-14.6000111.6N328 V329 S334 K335 V336 Y359 H362 I363N328-D332 PolarHBondContact O-N 2.88Å; V329-D332 PolarHBondContact O-N 3.27Å; D332-S334 VanDerWaalsContact C-N 3.33Å; D332-S334 PolarHBondContact O-N 3.29Å; D332-K335 PolarHBondContact O-N 3.22Å; D332-K335 IonicContact OD1-NZ 3.37Å; D332-K335 PolarHBondContact OD1-NZ 3.4Å; D332-V336 WeakPolarHBondContact O-CG2 2.96Å; D332-V336 PolarHBondContact O-N 3.41Å; D332-Y359 HydrophobicContact CB-CD1 3.96Å; D332-Y359 HydrophobicContact CB-CG 4.18Å; D332-Y359 VanDerWaalsContact CG-CD1 3.43Å; D332-Y359 WeakPolarHBondContact OD1-CD1 3.27Å; D332-Y359 WeakPolarHBondContact OD1-CE1 3.42Å; D332-H362 IonicContact OD2-CE1 2.65Å; D332-H362 IonicContact OD2-CG 3.05Å; D332-H362 IonicContact OD2-ND1 2.81Å; D332-H362 PolarHBondContact OD2-ND1 3.1Å; D332-I363 HydrophobicContact CB-CD1 4.36Å; D332-I363 HydrophobicContact CB-CG1 4.26Å
333L96.4Very high93.2Very high0 Ų039.3 Ų39.30%022%0.222CC..Hα-helixtrans-60.6-42.6174.4-173.767.4000111.7T266 A269 F273 I293 L296 V329 L330 D331 V336 A337 I363T266-L333 HydrophobicContact CG2-CD1 3.73Å; T266-L333 HydrophobicContact CG2-CG 4.47Å; A269-L333 HydrophobicContact CB-CD1 3.81Å; F273-L333 HydrophobicContact CD2-CD2 3.99Å; F273-L333 HydrophobicContact CE2-CD2 4.4Å; I293-L333 HydrophobicContact CD1-CD2 4.3Å; I293-L333 HydrophobicContact CD1-CG 3.96Å; I293-L333 HydrophobicContact CG1-CD2 3.87Å; I293-L333 HydrophobicContact CG1-CG 4.1Å; L296-L333 HydrophobicContact CD1-CD2 4.01Å; V329-L333 WeakPolarHBondContact O-CB 3.37Å; V329-L333 PolarHBondContact O-N 3.32Å; L330-L333 HydrophobicContact CD2-CD2 4.28Å; L330-L333 PolarHBondContact O-N 2.71Å; D331-L333 VanDerWaalsContact C-N 3.35Å; L333-V336 PolarHBondContact O-N 3.19Å; L333-A337 WeakPolarHBondContact O-CB 2.89Å; L333-A337 PolarHBondContact O-N 3.47Å; L333-I363 HydrophobicContact CB-CD1 4.28Å; L333-I363 HydrophobicContact CD1-CD1 4.17Å
334S95.4Very high93Very high34 Ų3442.2 Ų42.224%0.23824%0.242CC..Hα-helixtrans-63.5-43.5176.1-176.40000111.9L330 D331 D332 V336 A337 N338L330-S334 WeakPolarHBondContact O-CB 3.33Å; L330-S334 PolarHBondContact O-N 2.89Å; D331-S334 WeakPolarHBondContact O-CB 3.41Å; D331-S334 PolarHBondContact O-N 2.99Å; D332-S334 VanDerWaalsContact C-N 3.33Å; D332-S334 PolarHBondContact O-N 3.29Å; S334-V336 PolarHBondContact O-N 3.37Å; S334-A337 PolarHBondContact O-N 3.39Å; S334-N338 VanDerWaalsContact O-CG 3.25Å; S334-N338 PolarHBondContact O-N 2.7Å; S334-N338 PolarHBondContact O-ND2 3.38Å
335K94.3Very high92.6Very high75 Ų7551.9 Ų51.933%0.32628%0.278SS..Hα-helixtrans-60.1-44.6174.8-69.1173-166.8165.10112.2D331 D332 A337 N338 Y339 Y359D331-K335 VanDerWaalsContact O-CG 3.32Å; D331-K335 WeakPolarHBondContact O-CG 3.41Å; D331-K335 PolarHBondContact O-N 2.79Å; D332-K335 PolarHBondContact O-N 3.22Å; D332-K335 IonicContact OD1-NZ 3.37Å; D332-K335 PolarHBondContact OD1-NZ 3.4Å; K335-A337 VanDerWaalsContact C-N 3.33Å; K335-A337 PolarHBondContact O-N 3.35Å; K335-N338 PolarHBondContact O-N 2.86Å; K335-Y339 PolarHBondContact O-N 3.45Å; K335-Y359 HydrophobicContact CB-CD2 4.13Å; K335-Y359 HydrophobicContact CB-CE2 4.05Å; K335-Y359 HydrophobicContact CD-CD1 4.46Å; K335-Y359 HydrophobicContact CD-CD2 4.23Å; K335-Y359 HydrophobicContact CD-CE1 3.87Å; K335-Y359 HydrophobicContact CD-CE2 3.61Å; K335-Y359 VanDerWaalsContact CD-CZ 3.41Å; K335-Y359 WeakPolarHBondContact CD-OH 3.3Å; K335-Y359 HydrophobicContact CG-CE2 4.49Å; K335-Y359 PolarHBondContact NZ-OH 2.91Å
336V94.1Very high92Very high0 Ų052.2 Ų52.20%029%0.287CS..Hα-helixtrans-65-38.6176.6-178.40000111.1A262 T266 D332 L333 S334 Y339 I340 I356 Y359 L360 I363A262-V336 HydrophobicContact CB-CG1 3.91Å; T266-V336 WeakPolarHBondContact OG1-CG1 3.49Å; D332-V336 WeakPolarHBondContact O-CG2 2.96Å; D332-V336 PolarHBondContact O-N 3.41Å; L333-V336 PolarHBondContact O-N 3.19Å; S334-V336 PolarHBondContact O-N 3.37Å; V336-Y339 WeakPolarHBondContact O-CB 3.27Å; V336-Y339 PolarHBondContact O-N 3.36Å; V336-I340 HydrophobicContact CG1-CD1 4.17Å; V336-I340 WeakPolarHBondContact O-CD1 3.44Å; V336-I340 VanDerWaalsContact O-CG1 3.28Å; V336-I340 WeakPolarHBondContact O-CG1 3.23Å; V336-I340 PolarHBondContact O-N 2.98Å; V336-I356 HydrophobicContact CG1-CG2 4.47Å; V336-I356 HydrophobicContact CG2-CG2 4.48Å; V336-Y359 HydrophobicContact CG2-CD2 4.4Å; V336-L360 HydrophobicContact CG1-CD2 4.04Å; V336-L360 HydrophobicContact CG2-CD2 4.3Å; V336-L360 HydrophobicContact CG2-CG 4.39Å; V336-I363 HydrophobicContact CG2-CD1 4.11Å
337A94.1Very high91.3Very high11 Ų1149.8 Ų49.89%0.09127%0.27CS..Hα-helixtrans-64.5-38.217500000112.9T266 I293 L333 S334 K335 I340 S341T266-A337 HydrophobicContact CG2-CB 4.28Å; I293-A337 HydrophobicContact CD1-CB 3.51Å; L333-A337 WeakPolarHBondContact O-CB 2.89Å; L333-A337 PolarHBondContact O-N 3.47Å; S334-A337 PolarHBondContact O-N 3.39Å; K335-A337 VanDerWaalsContact C-N 3.33Å; K335-A337 PolarHBondContact O-N 3.35Å; A337-I340 PolarHBondContact O-N 3.43Å; A337-S341 WeakPolarHBondContact O-CB 3.17Å; A337-S341 PolarHBondContact O-N 3.03Å; A337-S341 PolarHBondContact O-OG 2.81Å
338N92.2Very high90.3Very high87 Ų8754.9 Ų54.947%0.46530%0.296SS..Hα-helixtrans-65.4-46.2173.7-69.3-26.2000111.1S334 K335 I340 S341 E342S334-N338 VanDerWaalsContact O-CG 3.25Å; S334-N338 PolarHBondContact O-N 2.7Å; S334-N338 PolarHBondContact O-ND2 3.38Å; K335-N338 PolarHBondContact O-N 2.86Å; N338-I340 VanDerWaalsContact C-N 3.32Å; N338-I340 PolarHBondContact O-N 2.88Å; N338-S341 PolarHBondContact O-N 3.35Å; N338-S341 VanDerWaalsContact O-N 3.12Å; N338-E342 WeakPolarHBondContact O-CG 3.41Å; N338-E342 PolarHBondContact O-N 3.37Å
339Y92.1Very high89.1Confident4 Ų451.8 Ų51.82%0.01628%0.281CS..Hα-helixtrans-53.2-47.7172.9167-91.3000112L258 A262 K335 V336 S341 E342 K343 V349 D351 I356L258-Y339 HydrophobicContact CD2-CE1 4.47Å; L258-Y339 HydrophobicContact CG-CE1 4.36Å; A262-Y339 HydrophobicContact CB-CD1 4.36Å; A262-Y339 HydrophobicContact CB-CE1 4.33Å; K335-Y339 PolarHBondContact O-N 3.45Å; V336-Y339 WeakPolarHBondContact O-CB 3.27Å; V336-Y339 PolarHBondContact O-N 3.36Å; Y339-S341 PolarHBondContact O-N 3.49Å; Y339-E342 PolarHBondContact O-N 2.84Å; Y339-K343 VanDerWaalsContact O-CB 3.29Å; Y339-K343 WeakPolarHBondContact O-CB 3.41Å; Y339-K343 PolarHBondContact O-N 2.97Å; Y339-V349 HydrophobicContact CD2-CB 3.99Å; Y339-V349 HydrophobicContact CD2-CG1 3.45Å; Y339-V349 VanDerWaalsContact CD2-CG1 3.45Å; Y339-V349 HydrophobicContact CD2-CG2 4.15Å; Y339-V349 HydrophobicContact CE2-CB 3.92Å; Y339-V349 HydrophobicContact CE2-CG1 3.89Å; Y339-V349 HydrophobicContact CE2-CG2 4.07Å; Y339-V349 HydrophobicContact CG-CG1 4.41Å; Y339-D351 HydrophobicContact CD2-CB 4.38Å; Y339-I356 HydrophobicContact CD1-CD1 4.28Å; Y339-I356 HydrophobicContact CD1-CG1 4.25Å; Y339-I356 HydrophobicContact CD1-CG2 4.24Å; Y339-I356 HydrophobicContact CD2-CD1 3.7Å; Y339-I356 HydrophobicContact CD2-CG1 3.6Å; Y339-I356 HydrophobicContact CE1-CG2 4.42Å; Y339-I356 HydrophobicContact CE2-CG1 3.99Å; Y339-I356 HydrophobicContact CG-CD1 3.56Å; Y339-I356 HydrophobicContact CG-CG1 3.78Å
340I92.3Very high87.4Confident24 Ų2461.3 Ų61.312%0.12332%0.322CS..Hα-helixtrans-59.8-48.3177.3-67.5158.8000110.4L259 A262 T266 V336 A337 N338 E342 K343 V344L259-I340 HydrophobicContact CD1-CB 4.38Å; L259-I340 HydrophobicContact CD1-CG1 4.36Å; L259-I340 HydrophobicContact CD1-CG2 4.02Å; A262-I340 HydrophobicContact CB-CD1 3.99Å; A262-I340 HydrophobicContact CB-CG1 3.81Å; T266-I340 HydrophobicContact CG2-CD1 4.36Å; T266-I340 WeakPolarHBondContact OG1-CD1 3.3Å; V336-I340 HydrophobicContact CG1-CD1 4.17Å; V336-I340 WeakPolarHBondContact O-CD1 3.44Å; V336-I340 VanDerWaalsContact O-CG1 3.28Å; V336-I340 WeakPolarHBondContact O-CG1 3.23Å; V336-I340 PolarHBondContact O-N 2.98Å; A337-I340 PolarHBondContact O-N 3.43Å; N338-I340 VanDerWaalsContact C-N 3.32Å; N338-I340 PolarHBondContact O-N 2.88Å; I340-E342 PolarHBondContact O-N 3.41Å; I340-K343 PolarHBondContact O-N 2.85Å; I340-V344 HydrophobicContact CG2-CG2 4.4Å; I340-V344 WeakPolarHBondContact O-CB 3.4Å; I340-V344 VanDerWaalsContact O-CG2 3.25Å; I340-V344 WeakPolarHBondContact O-CG2 3.3Å; I340-V344 PolarHBondContact O-N 2.94Å
341S90.6Very high85.8Confident63 Ų6364.2 Ų64.244%0.44134%0.338SS..Hα-helixtrans-62.3-42.7-177.7-59.60000111.9A337 N338 Y339 R345A337-S341 WeakPolarHBondContact O-CB 3.17Å; A337-S341 PolarHBondContact O-N 3.03Å; A337-S341 PolarHBondContact O-OG 2.81Å; N338-S341 PolarHBondContact O-N 3.35Å; N338-S341 VanDerWaalsContact O-N 3.12Å; Y339-S341 PolarHBondContact O-N 3.49Å; S341-R345 VanDerWaalsContact O-CB 3.26Å; S341-R345 WeakPolarHBondContact O-CB 3.15Å; S341-R345 PolarHBondContact O-N 3.39Å
342E88.5Confident84.6Confident69 Ų6966.6 Ų66.632%0.32235%0.347SS..Hα-helixtrans-67-45.9174.8-70-167.1163.800111.7N338 Y339 I340 V344 R345 S346 V349N338-E342 WeakPolarHBondContact O-CG 3.41Å; N338-E342 PolarHBondContact O-N 3.37Å; Y339-E342 PolarHBondContact O-N 2.84Å; I340-E342 PolarHBondContact O-N 3.41Å; E342-V344 VanDerWaalsContact C-N 3.27Å; E342-V344 PolarHBondContact O-N 3.26Å; E342-R345 PolarHBondContact O-N 3.1Å; E342-S346 PolarHBondContact O-N 3.34Å; E342-S346 PolarHBondContact O-OG 3.18Å; E342-V349 HydrophobicContact CB-CG1 4.4Å; E342-V349 HydrophobicContact CB-CG2 3.91Å
343K89.1Confident83.7Confident62 Ų6271.6 Ų71.627%0.2737%0.369SS..Hα-helixtrans-59.5-41.3180-161.967.1174.2172.60111.6L259 Y339 I340 G347 V349L259-K343 HydrophobicContact CD1-CB 4.03Å; L259-K343 HydrophobicContact CD1-CG 4.19Å; L259-K343 HydrophobicContact CD2-CG 4.24Å; Y339-K343 VanDerWaalsContact O-CB 3.29Å; Y339-K343 WeakPolarHBondContact O-CB 3.41Å; Y339-K343 PolarHBondContact O-N 2.97Å; I340-K343 PolarHBondContact O-N 2.85Å; K343-G347 WeakPolarHBondContact CD-O 3.19Å; K343-G347 WeakPolarHBondContact CE-O 3.31Å; K343-G347 PolarHBondContact NZ-O 3.25Å; K343-G347 VanDerWaalsContact O-CA 3.27Å; K343-G347 WeakPolarHBondContact O-CA 3.08Å; K343-G347 PolarHBondContact O-N 2.93Å; K343-V349 HydrophobicContact CB-CG2 3.52Å; K343-V349 HydrophobicContact CD-CB 4.31Å; K343-V349 HydrophobicContact CD-CG2 3.45Å; K343-V349 VanDerWaalsContact CD-CG2 3.45Å; K343-V349 HydrophobicContact CG-CG2 4.09Å
344V88.3Confident82.8Confident105 Ų10574.7 Ų74.764%0.63639%0.391SS*.Hα-helixtrans-67.6-38.4176.41720000111.6L259 I340 E342L259-V344 HydrophobicContact CD1-CG2 4.23Å; L259-V344 HydrophobicContact CD2-CG2 4.25Å; I340-V344 HydrophobicContact CG2-CG2 4.4Å; I340-V344 WeakPolarHBondContact O-CB 3.4Å; I340-V344 VanDerWaalsContact O-CG2 3.25Å; I340-V344 WeakPolarHBondContact O-CG2 3.3Å; I340-V344 PolarHBondContact O-N 2.94Å; E342-V344 VanDerWaalsContact C-N 3.27Å; E342-V344 PolarHBondContact O-N 3.26Å
345R86.4Confident82.4Confident202 Ų20276.3 Ų76.376%0.76240%0.397SS*.Hα-helixtrans-79.6-44.5-175.5-172.9179.368.1110.9-0.5113.8S341 E342S341-R345 VanDerWaalsContact O-CB 3.26Å; S341-R345 WeakPolarHBondContact O-CB 3.15Å; S341-R345 PolarHBondContact O-N 3.39Å; E342-R345 PolarHBondContact O-N 3.1Å
346S80.6Confident82.2Confident64 Ų6472.7 Ų72.745%0.44838%0.382SS..Hα-helixtrans-113.2-9.2-171.2450000114.5E342 N348E342-S346 PolarHBondContact O-N 3.34Å; E342-S346 PolarHBondContact O-OG 3.18Å; S346-N348 PolarHBondContact O-N 3.31Å; S346-N348 PolarHBondContact OG-O 2.89Å
347G77.1Confident82Confident40 Ų4076.3 Ų76.341%0.41240%0.398SS..SBendtrans70-28-174.500000114.3K343K343-G347 WeakPolarHBondContact CD-O 3.19Å; K343-G347 WeakPolarHBondContact CE-O 3.31Å; K343-G347 PolarHBondContact NZ-O 3.25Å; K343-G347 VanDerWaalsContact O-CA 3.27Å; K343-G347 WeakPolarHBondContact O-CA 3.08Å; K343-G347 PolarHBondContact O-N 2.93Å
348N68.2Low81.9Confident127 Ų12778.5 Ų78.568%0.67942%0.416SS*.  trans-108.7135.6174-64.9-19000109.4S346S346-N348 PolarHBondContact O-N 3.31Å; S346-N348 PolarHBondContact OG-O 2.89Å
349V67.7Low82Confident27 Ų2776.9 Ų76.916%0.16440%0.404CS..  trans-124.1143.5173.6-176.60000107.5Y339 E342 K343 D351Y339-V349 HydrophobicContact CD2-CB 3.99Å; Y339-V349 HydrophobicContact CD2-CG1 3.45Å; Y339-V349 VanDerWaalsContact CD2-CG1 3.45Å; Y339-V349 HydrophobicContact CD2-CG2 4.15Å; Y339-V349 HydrophobicContact CE2-CB 3.92Å; Y339-V349 HydrophobicContact CE2-CG1 3.89Å; Y339-V349 HydrophobicContact CE2-CG2 4.07Å; Y339-V349 HydrophobicContact CG-CG1 4.41Å; E342-V349 HydrophobicContact CB-CG1 4.4Å; E342-V349 HydrophobicContact CB-CG2 3.91Å; K343-V349 HydrophobicContact CB-CG2 3.52Å; K343-V349 HydrophobicContact CD-CB 4.31Å; K343-V349 HydrophobicContact CD-CG2 3.45Å; K343-V349 VanDerWaalsContact CD-CG2 3.45Å; K343-V349 HydrophobicContact CG-CG2 4.09Å; V349-D351 HydrophobicContact CG1-CB 4.08Å
350F60.1Low82.1Confident200 Ų20076.7 Ų76.788%0.87740%0.403SS*.SBendtrans-81-23.7-178.4-72.8-83.2000113
351D63.7Low82.2Confident67 Ų6781.7 Ų81.736%0.35842%0.424SS..SBendtrans-66.6136.3179.5-66.3-21.9000111.6Y339 V349 E353 I356Y339-D351 HydrophobicContact CD2-CB 4.38Å; V349-D351 HydrophobicContact CG1-CB 4.08Å; D351-E353 PolarHBondContact O-N 3.47Å; D351-I356 HydrophobicContact CB-CD1 4.3Å
352E69.2Low82.4Confident129 Ų12981.5 Ų81.560%0.60342%0.416SS*.  trans-66.2133.3173.3-61.3-171170.700109.6S354 D355E352-S354 VanDerWaalsContact CB-OG 3.29Å; E352-S354 WeakPolarHBondContact CB-OG 3.49Å; E352-S354 PolarHBondContact O-N 3.09Å; E352-S354 PolarHBondContact OE2-OG 3.34Å; E352-D355 WeakPolarHBondContact O-CB 3.46Å; E352-D355 PolarHBondContact O-N 2.84Å
353E76.7Confident82.8Confident113 Ų11378.2 Ų78.253%0.52840%0.401SS..Hα-helixtrans-56.8-27.3179.3-65-173.7163.900112.5L258 D351 I356 Q357L258-E353 HydrophobicContact CD2-CB 3.78Å; L258-E353 HydrophobicContact CD2-CG 3.75Å; D351-E353 PolarHBondContact O-N 3.47Å; E353-I356 PolarHBondContact O-N 3.41Å; E353-Q357 WeakPolarHBondContact O-CG 3.28Å; E353-Q357 PolarHBondContact O-N 2.75Å; E353-Q357 VanDerWaalsContact O-N 3.15Å
354S77.6Confident83.2Confident65 Ų6576 Ų7646%0.45539%0.392SS..Hα-helixtrans-58.6-41.3172.132.50000112.9E352 Q357 A358E352-S354 VanDerWaalsContact CB-OG 3.29Å; E352-S354 WeakPolarHBondContact CB-OG 3.49Å; E352-S354 PolarHBondContact O-N 3.09Å; E352-S354 PolarHBondContact OE2-OG 3.34Å; S354-Q357 PolarHBondContact O-N 2.93Å; S354-A358 PolarHBondContact O-N 3.26Å
355D87.7Confident83.6Confident68 Ų6874.3 Ų74.336%0.36438%0.379SS..Hα-helixtrans-69.2-42.3-178.6-69.7-21.6000110.6E352 Q357 A358 Y359E352-D355 WeakPolarHBondContact O-CB 3.46Å; E352-D355 PolarHBondContact O-N 2.84Å; D355-Q357 VanDerWaalsContact C-N 3.32Å; D355-Q357 PolarHBondContact O-N 2.86Å; D355-A358 WeakPolarHBondContact O-CB 3.49Å; D355-A358 PolarHBondContact O-N 2.92Å; D355-A358 VanDerWaalsContact O-N 3.12Å; D355-Y359 HydrophobicContact CB-CE2 3.98Å; D355-Y359 WeakPolarHBondContact O-CD2 3.33Å; D355-Y359 VanDerWaalsContact O-CG 3.27Å; D355-Y359 PolarHBondContact O-N 3.45Å
356I90.3Very high84.1Confident0 Ų065 Ų650%035%0.345CS..Hα-helixtrans-60.8-42.5176.4-56.9-55.1000111.2L258 V336 Y339 D351 E353 A358 Y359 L360L258-I356 HydrophobicContact CD1-CG2 4.3Å; L258-I356 HydrophobicContact CD2-CB 4.38Å; L258-I356 HydrophobicContact CD2-CG2 4.36Å; L258-I356 HydrophobicContact CG-CG2 4.47Å; V336-I356 HydrophobicContact CG1-CG2 4.47Å; V336-I356 HydrophobicContact CG2-CG2 4.48Å; Y339-I356 HydrophobicContact CD1-CD1 4.28Å; Y339-I356 HydrophobicContact CD1-CG1 4.25Å; Y339-I356 HydrophobicContact CD1-CG2 4.24Å; Y339-I356 HydrophobicContact CD2-CD1 3.7Å; Y339-I356 HydrophobicContact CD2-CG1 3.6Å; Y339-I356 HydrophobicContact CE1-CG2 4.42Å; Y339-I356 HydrophobicContact CE2-CG1 3.99Å; Y339-I356 HydrophobicContact CG-CD1 3.56Å; Y339-I356 HydrophobicContact CG-CG1 3.78Å; D351-I356 HydrophobicContact CB-CD1 4.3Å; E353-I356 PolarHBondContact O-N 3.41Å; I356-A358 VanDerWaalsContact C-N 3.33Å; I356-A358 PolarHBondContact O-N 2.92Å; I356-Y359 HydrophobicContact CD1-CD2 4.22Å; I356-Y359 PolarHBondContact O-N 3.05Å; I356-L360 HydrophobicContact CG2-CD1 4.15Å; I356-L360 HydrophobicContact CG2-CG 4.4Å; I356-L360 WeakPolarHBondContact O-CB 3.43Å; I356-L360 VanDerWaalsContact O-CG 3.25Å; I356-L360 WeakPolarHBondContact O-CG 3.43Å; I356-L360 PolarHBondContact O-N 2.94Å
357Q89.2Confident84.9Confident76 Ų7662 Ų6236%0.35532%0.324SS..Hα-helixtrans-64.4-37.7175.8-71-17711.600112.4L258 E353 S354 D355 K361L258-Q357 HydrophobicContact CD1-CG 4.41Å; E353-Q357 WeakPolarHBondContact O-CG 3.28Å; E353-Q357 PolarHBondContact O-N 2.75Å; E353-Q357 VanDerWaalsContact O-N 3.15Å; S354-Q357 PolarHBondContact O-N 2.93Å; D355-Q357 VanDerWaalsContact C-N 3.32Å; D355-Q357 PolarHBondContact O-N 2.86Å; Q357-K361 WeakPolarHBondContact O-CB 3.49Å; Q357-K361 PolarHBondContact O-N 3.45Å
358A92.2Very high85.8Confident56 Ų5661.4 Ų61.446%0.46331%0.311SS..Hα-helixtrans-64.8-45.9175.600000111.5S354 D355 I356 K361 H362S354-A358 PolarHBondContact O-N 3.26Å; D355-A358 WeakPolarHBondContact O-CB 3.49Å; D355-A358 PolarHBondContact O-N 2.92Å; D355-A358 VanDerWaalsContact O-N 3.12Å; I356-A358 VanDerWaalsContact C-N 3.33Å; I356-A358 PolarHBondContact O-N 2.92Å; A358-K361 PolarHBondContact O-N 3.39Å; A358-H362 PolarHBondContact O-N 3.11Å
359Y94.5Very high87.1Confident53 Ų5360.3 Ų60.321%0.20830%0.302CS..Hα-helixtrans-59.5-47.9175.2-63-35.2000111.7D332 K335 V336 D355 I356 K361 H362 I363D332-Y359 HydrophobicContact CB-CD1 3.96Å; D332-Y359 HydrophobicContact CB-CG 4.18Å; D332-Y359 VanDerWaalsContact CG-CD1 3.43Å; D332-Y359 WeakPolarHBondContact OD1-CD1 3.27Å; D332-Y359 WeakPolarHBondContact OD1-CE1 3.42Å; K335-Y359 HydrophobicContact CB-CD2 4.13Å; K335-Y359 HydrophobicContact CB-CE2 4.05Å; K335-Y359 HydrophobicContact CD-CD1 4.46Å; K335-Y359 HydrophobicContact CD-CD2 4.23Å; K335-Y359 HydrophobicContact CD-CE1 3.87Å; K335-Y359 HydrophobicContact CD-CE2 3.61Å; K335-Y359 VanDerWaalsContact CD-CZ 3.41Å; K335-Y359 WeakPolarHBondContact CD-OH 3.3Å; K335-Y359 HydrophobicContact CG-CE2 4.49Å; K335-Y359 PolarHBondContact NZ-OH 2.91Å; V336-Y359 HydrophobicContact CG2-CD2 4.4Å; D355-Y359 HydrophobicContact CB-CE2 3.98Å; D355-Y359 WeakPolarHBondContact O-CD2 3.33Å; D355-Y359 VanDerWaalsContact O-CG 3.27Å; D355-Y359 PolarHBondContact O-N 3.45Å; I356-Y359 HydrophobicContact CD1-CD2 4.22Å; I356-Y359 PolarHBondContact O-N 3.05Å; Y359-K361 VanDerWaalsContact C-N 3.3Å; Y359-K361 PolarHBondContact O-N 2.76Å; Y359-H362 PolarHBondContact O-N 3.35Å; Y359-I363 WeakPolarHBondContact O-CB 3.44Å; Y359-I363 WeakPolarHBondContact O-CD1 3.5Å; Y359-I363 VanDerWaalsContact O-CG1 3.23Å; Y359-I363 WeakPolarHBondContact O-CG1 3.19Å; Y359-I363 PolarHBondContact O-N 2.98Å
360L94.4Very high88.4Confident1 Ų159 Ų591%0.00529%0.294CS..Hα-helixtrans-59.1-39.7177.6-76.6178.6000112.9V249 V261 A265 V336 I356 L364V249-L360 HydrophobicContact CG2-CB 4.09Å; V261-L360 HydrophobicContact CG1-CD1 4.13Å; A265-L360 HydrophobicContact CB-CD2 3.55Å; V336-L360 HydrophobicContact CG1-CD2 4.04Å; V336-L360 HydrophobicContact CG2-CD2 4.3Å; V336-L360 HydrophobicContact CG2-CG 4.39Å; I356-L360 HydrophobicContact CG2-CD1 4.15Å; I356-L360 HydrophobicContact CG2-CG 4.4Å; I356-L360 WeakPolarHBondContact O-CB 3.43Å; I356-L360 VanDerWaalsContact O-CG 3.25Å; I356-L360 WeakPolarHBondContact O-CG 3.43Å; I356-L360 PolarHBondContact O-N 2.94Å; L360-L364 PolarHBondContact O-N 2.93Å
361K93.9Very high90.1Very high128 Ų12850.7 Ų50.756%0.55726%0.257SS*.Hα-helixtrans-66-44.6176.1-173.1-177.1175.6-168.30111.5Q357 A358 Y359 L364 D365Q357-K361 WeakPolarHBondContact O-CB 3.49Å; Q357-K361 PolarHBondContact O-N 3.45Å; A358-K361 PolarHBondContact O-N 3.39Å; Y359-K361 VanDerWaalsContact C-N 3.3Å; Y359-K361 PolarHBondContact O-N 2.76Å; K361-L364 WeakPolarHBondContact O-CB 3.43Å; K361-L364 PolarHBondContact O-N 2.88Å; K361-D365 PolarHBondContact O-N 3.46Å
362H95.9Very high91.6Very high59 Ų5955 Ų5527%0.27327%0.268SS..Hα-helixtrans-62.9-42.4176.9-177.5-130.5000111.8N328 D332 A358 Y359 L364 D365 V366N328-H362 PolarHBondContact OD1-CE1 3.22Å; N328-H362 VanDerWaalsContact OD1-CE1 3.25Å; D332-H362 IonicContact OD2-CE1 2.65Å; D332-H362 IonicContact OD2-CG 3.05Å; D332-H362 IonicContact OD2-ND1 2.81Å; D332-H362 PolarHBondContact OD2-ND1 3.1Å; A358-H362 PolarHBondContact O-N 3.11Å; Y359-H362 PolarHBondContact O-N 3.35Å; H362-L364 VanDerWaalsContact C-N 3.33Å; H362-L364 PolarHBondContact O-N 2.85Å; H362-D365 PolarHBondContact O-N 3.17Å; H362-V366 WeakPolarHBondContact NE2-CG2 3.46Å; H362-V366 WeakPolarHBondContact O-CG2 3.4Å; H362-V366 PolarHBondContact O-N 3.35Å
363I97.3Very high92.7Very high0 Ų052.6 Ų52.60%026%0.257CS..Hα-helixtrans-55.6-46.5173.3-71163.6000111.5L245 A269 F273 V329 D332 L333 V336 Y359 G367L245-I363 HydrophobicContact CD1-CG2 4.34Å; L245-I363 HydrophobicContact CD2-CG2 4.31Å; A269-I363 HydrophobicContact CB-CG2 3.36Å; F273-I363 HydrophobicContact CE2-CG2 4.03Å; F273-I363 HydrophobicContact CZ-CG2 4.21Å; V329-I363 HydrophobicContact CG2-CB 4.2Å; V329-I363 HydrophobicContact CG2-CG1 3.78Å; D332-I363 HydrophobicContact CB-CD1 4.36Å; D332-I363 HydrophobicContact CB-CG1 4.26Å; L333-I363 HydrophobicContact CB-CD1 4.28Å; L333-I363 HydrophobicContact CD1-CD1 4.17Å; V336-I363 HydrophobicContact CG2-CD1 4.11Å; Y359-I363 WeakPolarHBondContact O-CB 3.44Å; Y359-I363 WeakPolarHBondContact O-CD1 3.5Å; Y359-I363 VanDerWaalsContact O-CG1 3.23Å; Y359-I363 WeakPolarHBondContact O-CG1 3.19Å; Y359-I363 PolarHBondContact O-N 2.98Å; I363-G367 PolarHBondContact O-N 3.23Å
364L96.7Very high93.4Very high16 Ų1647.8 Ų47.88%0.08423%0.234CC..Hα-helixtrans-61.5-49.7176.3174.964.9000111.8L245 K246 V249 L360 K361 H362 V366 G367 I368L245-L364 HydrophobicContact CD2-CD1 4.11Å; L245-L364 HydrophobicContact CG-CB 4.46Å; L245-L364 HydrophobicContact CG-CD1 3.9Å; K246-L364 HydrophobicContact CB-CD1 3.92Å; K246-L364 HydrophobicContact CG-CD1 4.46Å; K246-L364 HydrophobicContact CG-CD2 4.43Å; V249-L364 HydrophobicContact CB-CD2 4.13Å; V249-L364 HydrophobicContact CG1-CD2 4.05Å; V249-L364 HydrophobicContact CG2-CB 4.36Å; L360-L364 PolarHBondContact O-N 2.93Å; K361-L364 WeakPolarHBondContact O-CB 3.43Å; K361-L364 PolarHBondContact O-N 2.88Å; H362-L364 VanDerWaalsContact C-N 3.33Å; H362-L364 PolarHBondContact O-N 2.85Å; L364-V366 PolarHBondContact O-N 3.45Å; L364-G367 PolarHBondContact O-N 3Å; L364-I368 HydrophobicContact CD1-CD1 3.73Å; L364-I368 HydrophobicContact CD1-CG1 4.08Å; L364-I368 HydrophobicContact CG-CD1 3.9Å; L364-I368 VanDerWaalsContact O-CG1 3.3Å; L364-I368 WeakPolarHBondContact O-CG1 3.4Å; L364-I368 PolarHBondContact O-N 2.79Å
365D96.9Very high93.8Very high70 Ų7047.1 Ų47.137%0.37422%0.222SC..Hα-helixtrans-62.9-42.4-175.4-72.5-23.1000111.7K361 H362 Q369K361-D365 PolarHBondContact O-N 3.46Å; H362-D365 PolarHBondContact O-N 3.17Å; D365-Q369 VanDerWaalsContact O-CG 3.31Å; D365-Q369 WeakPolarHBondContact O-CG 3.39Å; D365-Q369 PolarHBondContact O-N 2.84Å; D365-Q369 PolarHBondContact O-NE2 3.35Å
366V97.1Very high93.7Very high7 Ų749.5 Ų49.54%0.04225%0.251CS..Hα-helixtrans-70-41.9175.9174.50000111.4F273 S327 V329 H362 L364 I368 Q369 C370F273-V366 HydrophobicContact CE1-CG1 4.23Å; S327-V366 WeakPolarHBondContact OG-CG1 3.24Å; V329-V366 HydrophobicContact CB-CB 4.24Å; V329-V366 HydrophobicContact CB-CG1 4.04Å; V329-V366 HydrophobicContact CB-CG2 4.24Å; V329-V366 HydrophobicContact CG1-CG1 3.9Å; V329-V366 HydrophobicContact CG2-CB 3.95Å; V329-V366 HydrophobicContact CG2-CG1 4.18Å; V329-V366 HydrophobicContact CG2-CG2 4.18Å; H362-V366 WeakPolarHBondContact NE2-CG2 3.46Å; H362-V366 WeakPolarHBondContact O-CG2 3.4Å; H362-V366 PolarHBondContact O-N 3.35Å; L364-V366 PolarHBondContact O-N 3.45Å; V366-I368 PolarHBondContact O-N 2.76Å; V366-Q369 PolarHBondContact O-N 2.64Å; V366-C370 WeakPolarHBondContact O-CB 3.13Å; V366-C370 PolarHBondContact O-N 2.82Å; V366-C370 PolarHBondContact O-SG 3.29Å
367G96.5Very high93.8Very high0 Ų052 Ų520%026%0.264CS..Hα-helixtrans-57.7-45.8177.700000112.6I363 L364 C370 R371I363-G367 PolarHBondContact O-N 3.23Å; L364-G367 PolarHBondContact O-N 3Å; G367-C370 PolarHBondContact O-N 3.37Å; G367-R371 WeakPolarHBondContact O-CB 3.28Å; G367-R371 PolarHBondContact O-N 3.33Å
368I96.2Very high94.1Very high28 Ų2850.7 Ų50.714%0.14426%0.259CS..Hα-helixtrans-61-46.2175.8-67.4168.6000110.9E242 L364 V366 R372E242-I368 HydrophobicContact CG-CG1 3.9Å; L364-I368 HydrophobicContact CD1-CD1 3.73Å; L364-I368 HydrophobicContact CD1-CG1 4.08Å; L364-I368 HydrophobicContact CG-CD1 3.9Å; L364-I368 VanDerWaalsContact O-CG1 3.3Å; L364-I368 WeakPolarHBondContact O-CG1 3.4Å; L364-I368 PolarHBondContact O-N 2.79Å; V366-I368 PolarHBondContact O-N 2.76Å; I368-R372 HydrophobicContact CG2-CG 4.47Å; I368-R372 WeakPolarHBondContact O-CB 3.44Å; I368-R372 VanDerWaalsContact O-CG 3.3Å; I368-R372 WeakPolarHBondContact O-CG 3.31Å; I368-R372 PolarHBondContact O-N 2.77Å
369Q95.8Very high94.2Very high103 Ų10350.4 Ų50.448%0.48125%0.248SC..Hα-helixtrans-61.5-49-179.6-75176.464.400111.6I323 D365 V366 R372 Q373I323-Q369 HydrophobicContact CG2-CB 4.42Å; D365-Q369 VanDerWaalsContact O-CG 3.31Å; D365-Q369 WeakPolarHBondContact O-CG 3.39Å; D365-Q369 PolarHBondContact O-N 2.84Å; D365-Q369 PolarHBondContact O-NE2 3.35Å; V366-Q369 PolarHBondContact O-N 2.64Å; Q369-R372 PolarHBondContact O-N 3.27Å; Q369-Q373 WeakPolarHBondContact O-CG 3.49Å; Q369-Q373 PolarHBondContact O-N 2.93Å; Q369-Q373 VanDerWaalsContact O-N 3.14Å
370C95.4Very high94.2Very high0 Ų050.2 Ų50.20%025%0.25CC..Hα-helixtrans-62.5-45.4179.7-66.20000111.8I276 A320 I323 V366 G367 R372 Q373 L374I276-C370 HydrophobicContact CD1-CB 3.21Å; I276-C370 HydrophobicContact CG1-CB 3.81Å; I276-C370 HydrophobicContact CG2-CB 4.19Å; A320-C370 WeakPolarHBondContact CB-O 3.45Å; I323-C370 VanDerWaalsContact CG2-SG 3.54Å; V366-C370 WeakPolarHBondContact O-CB 3.13Å; V366-C370 PolarHBondContact O-N 2.82Å; V366-C370 PolarHBondContact O-SG 3.29Å; G367-C370 PolarHBondContact O-N 3.37Å; C370-R372 PolarHBondContact O-N 3.15Å; C370-Q373 PolarHBondContact O-N 3.27Å; C370-L374 WeakPolarHBondContact O-CB 3.17Å; C370-L374 PolarHBondContact O-N 3.31Å
371R95.1Very high94.2Very high26 Ų2653.3 Ų53.310%0.09827%0.265CS..Hα-helixtrans-62.4-43.5178.8-169.8-155.855.579.81.4111.9N235 A238 E242 L272 G367 Q373 L374 Y375N235-R371 PolarHBondContact OD1-NH1 3.46Å; A238-R371 HydrophobicContact CB-CG 3.75Å; E242-R371 IonicContact OE2-CZ 2.74Å; E242-R371 VanDerWaalsContact OE2-CZ 3.28Å; E242-R371 IonicContact OE2-NE 3.53Å; E242-R371 PolarHBondContact OE2-NE 3.13Å; E242-R371 IonicContact OE2-NH2 3.62Å; E242-R371 PolarHBondContact OE2-NH2 2.74Å; L272-R371 HydrophobicContact CD1-CB 4.29Å; L272-R371 HydrophobicContact CD1-CG 4.34Å; G367-R371 WeakPolarHBondContact O-CB 3.28Å; G367-R371 PolarHBondContact O-N 3.33Å; R371-Q373 VanDerWaalsContact C-N 3.27Å; R371-Q373 PolarHBondContact O-N 2.99Å; R371-L374 WeakPolarHBondContact O-CB 3.43Å; R371-L374 PolarHBondContact O-N 2.81Å; R371-Y375 HydrophobicContact CG-CD2 4.32Å; R371-Y375 HydrophobicContact CG-CE2 4.49Å; R371-Y375 PolarHBondContact O-N 3.13Å
372R94.3Very high94.2Very high158 Ų15848.3 Ų48.360%0.59625%0.246SC*.Hα-helixtrans-58.6-41.7177.5-76.4177.7-179.7-177.60.8111.5I368 Q369 C370 A376I368-R372 HydrophobicContact CG2-CG 4.47Å; I368-R372 WeakPolarHBondContact O-CB 3.44Å; I368-R372 VanDerWaalsContact O-CG 3.3Å; I368-R372 WeakPolarHBondContact O-CG 3.31Å; I368-R372 PolarHBondContact O-N 2.77Å; Q369-R372 PolarHBondContact O-N 3.27Å; C370-R372 PolarHBondContact O-N 3.15Å; R372-A376 PolarHBondContact O-N 2.95Å
373Q93.1Very high94.1Very high77 Ų7747.6 Ų47.636%0.3624%0.244SC..Hα-helixtrans-72.7-33.3177.9-66.3-59.7-23.900113.2S316 T319 A320 I323 Q369 C370 R371 Y375 A376S316-Q373 CarbonylContact C-O 3.56Å; S316-Q373 WeakPolarHBondContact CA-O 3.08Å; S316-Q373 WeakPolarHBondContact CB-O 3.35Å; T319-Q373 HydrophobicContact CG2-CB 4.22Å; T319-Q373 HydrophobicContact CG2-CG 4.12Å; A320-Q373 HydrophobicContact CB-CB 4.1Å; I323-Q373 HydrophobicContact CD1-CB 4.3Å; I323-Q373 HydrophobicContact CD1-CG 3.57Å; Q369-Q373 WeakPolarHBondContact O-CG 3.49Å; Q369-Q373 PolarHBondContact O-N 2.93Å; Q369-Q373 VanDerWaalsContact O-N 3.14Å; C370-Q373 PolarHBondContact O-N 3.27Å; R371-Q373 VanDerWaalsContact C-N 3.27Å; R371-Q373 PolarHBondContact O-N 2.99Å; Q373-Y375 PolarHBondContact O-N 2.98Å; Q373-A376 PolarHBondContact O-N 3.44Å
374L90.4Very high93.8Very high12 Ų1251.2 Ų51.26%0.06326%0.263CS..Hα-helixtrans-58.5-34179.1-176.660.7000112.4Q275 I276 S316 H317 A320 C370 R371Q275-L374 HydrophobicContact CG-CD2 4.12Å; I276-L374 HydrophobicContact CG1-CD2 4.5Å; S316-L374 PolarHBondContact OG-O 3.07Å; H317-L374 HydrophobicContact CB-CD1 4.2Å; H317-L374 VanDerWaalsContact CD2-CD1 3.47Å; H317-L374 WeakPolarHBondContact CD2-CD1 3.35Å; A320-L374 HydrophobicContact CB-CB 4.08Å; A320-L374 HydrophobicContact CB-CD1 4.5Å; C370-L374 WeakPolarHBondContact O-CB 3.17Å; C370-L374 PolarHBondContact O-N 3.31Å; R371-L374 WeakPolarHBondContact O-CB 3.43Å; R371-L374 PolarHBondContact O-N 2.81Å
375Y87.8Confident93.6Very high52 Ų5254.2 Ų54.220%0.20428%0.277CS..THydrogen-bonded Turntrans-116.721.5-177.2-62.2-72.8000113.7A234 N235 A238 Q275 R371 Q373A234-Y375 HydrophobicContact CB-CE1 4.28Å; A234-Y375 VanDerWaalsContact CB-OH 3.25Å; A234-Y375 WeakPolarHBondContact CB-OH 3.06Å; N235-Y375 HydrophobicContact CB-CD1 3.76Å; N235-Y375 HydrophobicContact CB-CD2 3.79Å; N235-Y375 HydrophobicContact CB-CE1 3.89Å; N235-Y375 HydrophobicContact CB-CE2 3.91Å; N235-Y375 HydrophobicContact CB-CG 3.72Å; N235-Y375 VanDerWaalsContact OD1-CD2 3.28Å; N235-Y375 WeakPolarHBondContact OD1-CD2 3.24Å; A238-Y375 HydrophobicContact CB-CE2 4.1Å; Q275-Y375 PolarHBondContact NE2-OH 3.25Å; R371-Y375 HydrophobicContact CG-CD2 4.32Å; R371-Y375 HydrophobicContact CG-CE2 4.49Å; R371-Y375 PolarHBondContact O-N 3.13Å; Q373-Y375 PolarHBondContact O-N 2.98Å
376A84.2Confident93.3Very high117 Ų11752.7 Ų52.797%0.96727%0.269SS*.  trans-690178.100000113.7R372 Q373R372-A376 PolarHBondContact O-N 2.95Å; Q373-A376 PolarHBondContact O-N 3.44Å

Retrieved 376 of 376 residues in 364.3 ms (Link to these results)

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