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Transcriptional adapter 3

Functions as a component of the PCAF complex. The PCAF complex is capable of efficiently acetylating histones in a nucleosomal context. The PCAF complex could be considered as the human version of the yeast SAGA complex. Also known as a coactivator for p53/TP53-dependent transcriptional activation (By similarity). Component of the ATAC complex, a complex with histone acetyltransferase activity on histones H3 and H4 (By similarity).

AlphaFold DB , UniProt , Accession Q5EAE2, Species BOVIN (Bos taurus, Bovine), Gene TADA3, Length 432 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
1M41.5Very low65.6Low241 Ų241129.2 Ų129.2100%1.18766%0.657SS**  025.10-71.2-129-97.500112.7
2S47.9Very low67.1Low106 Ų106124.8 Ų124.874%0.74163%0.631SS**  trans-105.6-2.5-171.1-47.60000114.3L4S2-L4 PolarHBondContact O-N 3.37Å
3E51.5Low68.5Low179 Ų179125.1 Ų125.184%0.83664%0.636SS**THydrogen-bonded Turntrans-86.1-4.1-168.5-63.6-172175.500115.1
4L57.7Low69.6Low149 Ų149121.6 Ų121.678%0.7862%0.615SS**THydrogen-bonded Turntrans-89.2-8.8179.1-92.8132.8000114.3S2 D6S2-L4 PolarHBondContact O-N 3.37Å; L4-D6 VanDerWaalsContact C-N 3.3Å; L4-D6 PolarHBondContact O-N 3.46Å
5K57.2Low70.4Confident194 Ų194124.2 Ų124.284%0.84362%0.62SS**THydrogen-bonded Turntrans-73.1-19.1-174.8-84.7-173.3174-175.40114.5
6D67.2Low71.3Confident137 Ų137122.5 Ų122.573%0.73362%0.624SS**THydrogen-bonded Turntrans-113.225.8-176.2-61.2-35.7000112.7L4 P8L4-D6 VanDerWaalsContact C-N 3.3Å; L4-D6 PolarHBondContact O-N 3.46Å; D6-P8 VanDerWaalsContact O-CD 3.31Å; D6-P8 WeakPolarHBondContact O-CD 3.4Å
7C70.7Confident72.3Confident40 Ų40117.2 Ų117.227%0.2760%0.598SS.*  trans-72.6118.7174.6-171.90000109.7L9 F11C7-L9 PolarHBondContact O-N 2.86Å; C7-F11 HydrophobicContact CB-CE2 4.44Å
8P79.2Confident73.4Confident57 Ų57114.1 Ų114.137%0.3758%0.583SS.*  trans-76.6-0.4-177.631.8-36.3000114.1D6 I70 W74D6-P8 VanDerWaalsContact O-CD 3.31Å; D6-P8 WeakPolarHBondContact O-CD 3.4Å; P8-I70 HydrophobicContact CB-CG2 3.61Å; P8-I70 HydrophobicContact CG-CG2 3.42Å; P8-I70 VanDerWaalsContact CG-CG2 3.42Å; P8-W74 HydrophobicContact CG-CB 4.27Å; P8-W74 HydrophobicContact CG-CG 4.07Å
9L84.7Confident74.4Confident32 Ų32111.8 Ų111.817%0.16857%0.57CS.*  trans-76.1141.6-178-58.1-179.4000112.2C7 F11 E67 I70 L71C7-L9 PolarHBondContact O-N 2.86Å; L9-F11 HydrophobicContact CB-CD2 4.05Å; L9-F11 HydrophobicContact CB-CE1 4.3Å; L9-F11 HydrophobicContact CB-CE2 3.74Å; L9-F11 HydrophobicContact CB-CG 4.47Å; L9-F11 HydrophobicContact CB-CZ 3.89Å; L9-F11 HydrophobicContact CD1-CE1 4.12Å; L9-F11 HydrophobicContact CD1-CZ 4.03Å; L9-F11 VanDerWaalsContact O-CD2 3.3Å; L9-F11 WeakPolarHBondContact O-CD2 3.42Å; L9-E67 WeakPolarHBondContact CA-OE2 3.49Å; L9-E67 VanDerWaalsContact CB-OE2 3.23Å; L9-E67 WeakPolarHBondContact CB-OE2 3.3Å; L9-E67 HydrophobicContact CD2-CB 4.25Å; L9-E67 WeakPolarHBondContact CD2-O 3.42Å; L9-E67 WeakPolarHBondContact CD2-OE2 3.49Å; L9-I70 HydrophobicContact CD2-CB 4.27Å; L9-I70 HydrophobicContact CD2-CG2 3.88Å; L9-L71 HydrophobicContact CD1-CD1 4.38Å; L9-L71 HydrophobicContact CD1-CD2 3.9Å; L9-L71 HydrophobicContact CD1-CG 4.2Å; L9-L71 HydrophobicContact CD2-CD2 4.01Å; L9-L71 HydrophobicContact CD2-CG 3.8Å; L9-L71 HydrophobicContact CG-CD2 4.23Å; L9-L71 HydrophobicContact CG-CG 4.48Å
10Q83Confident75.2Confident141 Ų141112.1 Ų112.166%0.65957%0.572SS**  trans-90.9-9.4-177.9-57.9-178.8-3.100112.7H12 E67Q10-H12 PolarHBondContact O-N 2.8Å; Q10-H12 PolarHBondContact OE1-CE1 3.18Å; Q10-H12 PolarHBondContact OE1-NE2 2.86Å; Q10-E67 WeakPolarHBondContact CA-OE1 3.32Å; Q10-E67 VanDerWaalsContact CB-OE1 3.32Å; Q10-E67 WeakPolarHBondContact CB-OE1 3.36Å; Q10-E67 PolarHBondContact N-OE1 3.4Å; Q10-E67 PolarHBondContact N-OE2 3.47Å; Q10-E67 VanDerWaalsContact N-OE2 3.12Å
11F81.3Confident76Confident145 Ų145114.5 Ų114.564%0.63658%0.579SS**  trans48.253.5174.8-63-77.4000113.2C7 L9 D13 E67C7-F11 HydrophobicContact CB-CE2 4.44Å; L9-F11 HydrophobicContact CB-CD2 4.05Å; L9-F11 HydrophobicContact CB-CE1 4.3Å; L9-F11 HydrophobicContact CB-CE2 3.74Å; L9-F11 HydrophobicContact CB-CG 4.47Å; L9-F11 HydrophobicContact CB-CZ 3.89Å; L9-F11 HydrophobicContact CD1-CE1 4.12Å; L9-F11 HydrophobicContact CD1-CZ 4.03Å; L9-F11 VanDerWaalsContact O-CD2 3.3Å; L9-F11 WeakPolarHBondContact O-CD2 3.42Å; F11-D13 PolarHBondContact O-N 2.9Å; F11-E67 PolarHBondContact N-OE1 3.19Å
12H84Confident78.4Confident76 Ų76106.8 Ų106.835%0.35255%0.545SS..  trans-55.4131.2179.6-68.887.5000112.7Q10 F14 V63 E67Q10-H12 PolarHBondContact O-N 2.8Å; Q10-H12 PolarHBondContact OE1-CE1 3.18Å; Q10-H12 PolarHBondContact OE1-NE2 2.86Å; H12-F14 HydrophobicContact CB-CE1 4.02Å; H12-F14 HydrophobicContact CB-CE2 4.17Å; H12-F14 HydrophobicContact CB-CZ 3.83Å; H12-F14 WeakPolarHBondContact O-CD2 3.33Å; H12-F14 PolarHBondContact O-N 3.36Å; H12-V63 HydrophobicContact CB-CG1 4.07Å; H12-V63 VanDerWaalsContact ND1-CG1 3.31Å; H12-V63 WeakPolarHBondContact ND1-CG1 3.43Å; H12-E67 IonicContact CE1-OE1 3.26Å; H12-E67 PolarHBondContact CE1-OE1 3.5Å; H12-E67 IonicContact ND1-OE1 2.64Å; H12-E67 PolarHBondContact ND1-OE1 3.27Å
13D84.1Confident80.6Confident129 Ų129101.7 Ų101.769%0.6951%0.509SS*.  trans-77.3102.7171-179.520.2000110.2F11 K15F11-D13 PolarHBondContact O-N 2.9Å; D13-K15 PolarHBondContact O-N 3.24Å; D13-K15 VanDerWaalsContact O-N 3.16Å; D13-K15 VanDerWaalsContact OD2-CE 3.24Å; D13-K15 WeakPolarHBondContact OD2-CE 3.37Å
14F84.4Confident82.6Confident77 Ų7796.8 Ų96.834%0.33849%0.493SS..  trans-84.785.9-179.3-64.3-64.2000111.7H12 S16 R60 V63 L64H12-F14 HydrophobicContact CB-CE1 4.02Å; H12-F14 HydrophobicContact CB-CE2 4.17Å; H12-F14 HydrophobicContact CB-CZ 3.83Å; H12-F14 WeakPolarHBondContact O-CD2 3.33Å; H12-F14 PolarHBondContact O-N 3.36Å; F14-S16 PolarHBondContact O-N 2.92Å; F14-R60 HydrophobicContact CD1-CB 4.15Å; F14-R60 HydrophobicContact CD1-CG 3.66Å; F14-R60 HydrophobicContact CE1-CB 4.22Å; F14-R60 HydrophobicContact CE1-CG 4.15Å; F14-R60 HydrophobicContact CG-CG 4.48Å; F14-V63 HydrophobicContact CE1-CB 4Å; F14-V63 HydrophobicContact CE1-CG1 3.83Å; F14-V63 HydrophobicContact CZ-CB 4.15Å; F14-V63 HydrophobicContact CZ-CG1 3.7Å; F14-L64 HydrophobicContact CE2-CD2 3.53Å; F14-L64 HydrophobicContact CE2-CG 4.01Å; F14-L64 HydrophobicContact CZ-CD2 3.75Å; F14-L64 HydrophobicContact CZ-CG 3.79Å
15K82.2Confident84.3Confident160 Ų16093.5 Ų93.570%0.69647%0.47SS*.PPolyproline II helixtrans-66.7126.5169.8-63.3-174.8-179.5179.10110.5D13D13-K15 PolarHBondContact O-N 3.24Å; D13-K15 VanDerWaalsContact O-N 3.16Å; D13-K15 VanDerWaalsContact OD2-CE 3.24Å; D13-K15 WeakPolarHBondContact OD2-CE 3.37Å
16S84.4Confident86.1Confident97 Ų9787.4 Ų87.468%0.67844%0.442SS*.PPolyproline II helixtrans-64.114917048.20000110.2F14 D18F14-S16 PolarHBondContact O-N 2.92Å; S16-D18 PolarHBondContact O-N 3.35Å
17V88.6Confident87.4Confident32 Ų3282.4 Ų82.419%0.19442%0.417CS..PPolyproline II helixtrans-67.3122.8168.9-178.10000107.2H19 V22 L53 S56V17-H19 PolarHBondContact O-N 3.39Å; V17-V22 HydrophobicContact CG1-CB 4.17Å; V17-V22 HydrophobicContact CG1-CG1 4.48Å; V17-V22 HydrophobicContact CG1-CG2 4.47Å; V17-L53 HydrophobicContact CB-CD2 3.9Å; V17-L53 HydrophobicContact CG1-CD2 3.9Å; V17-L53 HydrophobicContact CG2-CD2 4.37Å; V17-S56 WeakPolarHBondContact CG2-OG 3.28Å
18D91.9Very high88.5Confident62 Ų6282.6 Ų82.633%0.33242%0.421SS..  trans-72.682.4172.4-173.5-4.6000108.7S16 L20 K21 V22S16-D18 PolarHBondContact O-N 3.35Å; D18-L20 PolarHBondContact O-N 3.4Å; D18-L20 VanDerWaalsContact O-N 3.15Å; D18-L20 WeakPolarHBondContact OD1-CB 3.48Å; D18-L20 PolarHBondContact OD1-N 3.05Å; D18-K21 PolarHBondContact O-N 3.1Å; D18-K21 VanDerWaalsContact OD2-CD 3.24Å; D18-K21 WeakPolarHBondContact OD2-CD 3.47Å; D18-K21 VanDerWaalsContact OD2-CE 3.31Å; D18-K21 WeakPolarHBondContact OD2-CE 3.37Å; D18-K21 WeakPolarHBondContact OD2-CG 3.34Å; D18-K21 IonicContact OD2-NZ 3.98Å; D18-K21 PolarHBondContact OD2-NZ 2.89Å; D18-V22 WeakPolarHBondContact O-CG2 3.02Å; D18-V22 PolarHBondContact O-N 3.46Å
19H92.1Very high89.1Confident71 Ų7181.3 Ų81.333%0.32941%0.412SS..Hα-helixtrans-60.7-24.4-176.165.367.5000112V17 K21 C23 Y26 T27V17-H19 PolarHBondContact O-N 3.39Å; H19-K21 PolarHBondContact O-N 2.98Å; H19-C23 HydrophobicContact CB-CB 4.07Å; H19-C23 CarbonylContact O-C 3.06Å; H19-C23 VanDerWaalsContact O-CA 3.28Å; H19-C23 WeakPolarHBondContact O-CA 3.02Å; H19-C23 PolarHBondContact O-N 3.13Å; H19-Y26 HydrophobicContact CB-CD1 4.17Å; H19-Y26 HydrophobicContact CB-CE1 4.37Å; H19-T27 PolarHBondContact ND1-OG1 3.41Å; H19-T27 PolarHBondContact O-OG1 3.37Å
20L90.4Very high89.4Confident116 Ų11684.8 Ų84.861%0.60743%0.43SS*.Hα-helixtrans-63.3-32.3175.7-60.1177.2000111.7D18 T27D18-L20 PolarHBondContact O-N 3.4Å; D18-L20 VanDerWaalsContact O-N 3.15Å; D18-L20 WeakPolarHBondContact OD1-CB 3.48Å; D18-L20 PolarHBondContact OD1-N 3.05Å; L20-T27 HydrophobicContact CD2-CG2 3.49Å; L20-T27 VanDerWaalsContact CD2-CG2 3.49Å
21K92.4Very high89.8Confident164 Ų16482.2 Ų82.271%0.71343%0.434SS*.Hα-helixtrans-95.4-39.4179.2-66.8-171.2-173118.60113.3D18 H19D18-K21 PolarHBondContact O-N 3.1Å; D18-K21 VanDerWaalsContact OD2-CD 3.24Å; D18-K21 WeakPolarHBondContact OD2-CD 3.47Å; D18-K21 VanDerWaalsContact OD2-CE 3.31Å; D18-K21 WeakPolarHBondContact OD2-CE 3.37Å; D18-K21 WeakPolarHBondContact OD2-CG 3.34Å; D18-K21 IonicContact OD2-NZ 3.98Å; D18-K21 PolarHBondContact OD2-NZ 2.89Å; H19-K21 PolarHBondContact O-N 2.98Å
22V91Very high90.3Very high78 Ų7879.1 Ų79.147%0.47342%0.418SS..Hα-helixtrans-99.8-23-167.9-170.10000112.2V17 D18 P24 T52V17-V22 HydrophobicContact CG1-CB 4.17Å; V17-V22 HydrophobicContact CG1-CG1 4.48Å; V17-V22 HydrophobicContact CG1-CG2 4.47Å; D18-V22 WeakPolarHBondContact O-CG2 3.02Å; D18-V22 PolarHBondContact O-N 3.46Å; V22-P24 VanDerWaalsContact C-CD 3.46Å; V22-T52 HydrophobicContact CG1-CG2 4.09Å
23C94.7Very high90.4Very high0 Ų078.6 Ų78.60%042%0.423CS..  trans-131.362.9-176.6-51.30000111.3H19 R25 Y26 T27 E49H19-C23 HydrophobicContact CB-CB 4.07Å; H19-C23 CarbonylContact O-C 3.06Å; H19-C23 VanDerWaalsContact O-CA 3.28Å; H19-C23 WeakPolarHBondContact O-CA 3.02Å; H19-C23 PolarHBondContact O-N 3.13Å; C23-R25 VanDerWaalsContact C-N 3.35Å; C23-R25 PolarHBondContact O-N 2.89Å; C23-Y26 HydrophobicContact CB-CD1 4.38Å; C23-T27 WeakPolarHBondContact O-CB 3.17Å; C23-T27 PolarHBondContact O-N 2.96Å; C23-T27 PolarHBondContact O-OG1 3.34Å; C23-E49 VanDerWaalsContact C-CD 3.5Å; C23-E49 VanDerWaalsContact CA-CD 3.41Å; C23-E49 WeakPolarHBondContact CA-OE2 3.36Å; C23-E49 HydrophobicContact CB-CB 3.99Å; C23-E49 HydrophobicContact CB-CG 4.19Å; C23-E49 WeakPolarHBondContact CB-OE2 3.25Å
24P94.1Very high90.3Very high75 Ų7582 Ų8249%0.48743%0.434SS..Hα-helixtrans-64.3-34-176.426.5-35.7000113.3V22 T27 A28 E49V22-P24 VanDerWaalsContact C-CD 3.46Å; P24-T27 PolarHBondContact O-N 2.82Å; P24-A28 VanDerWaalsContact O-CB 3.32Å; P24-A28 WeakPolarHBondContact O-CB 3.48Å; P24-A28 PolarHBondContact O-N 2.96Å; P24-E49 WeakPolarHBondContact CD-OE1 3.24Å; P24-E49 WeakPolarHBondContact CG-OE1 3.35Å
25R93.7Very high90.3Very high80 Ų8085.8 Ų85.830%0.30246%0.458SS..Hα-helixtrans-68.8-47.4177.9-177.164.367.91674.2111.3C23 T27 A28 V29 E42 T45 L46 E49C23-R25 VanDerWaalsContact C-N 3.35Å; C23-R25 PolarHBondContact O-N 2.89Å; R25-T27 VanDerWaalsContact C-N 3.3Å; R25-T27 PolarHBondContact O-N 3.3Å; R25-A28 PolarHBondContact O-N 3.47Å; R25-A28 VanDerWaalsContact O-N 3.16Å; R25-V29 WeakPolarHBondContact O-CG2 3.43Å; R25-V29 PolarHBondContact O-N 3.04Å; R25-E42 IonicContact CZ-OE1 3.95Å; R25-E42 VanDerWaalsContact NH1-CD 3.3Å; R25-E42 IonicContact NH1-OE1 3.99Å; R25-E42 PolarHBondContact NH1-OE1 2.95Å; R25-T45 HydrophobicContact CB-CG2 3.91Å; R25-T45 HydrophobicContact CG-CG2 4.33Å; R25-L46 HydrophobicContact CG-CB 4.16Å; R25-L46 HydrophobicContact CG-CD1 4.43Å; R25-E49 WeakPolarHBondContact CA-OE2 3.48Å; R25-E49 VanDerWaalsContact CB-OE1 3.28Å; R25-E49 WeakPolarHBondContact CB-OE1 3.44Å; R25-E49 WeakPolarHBondContact CB-OE2 3.22Å; R25-E49 VanDerWaalsContact N-CD 3.35Å; R25-E49 PolarHBondContact N-OE1 3.03Å; R25-E49 PolarHBondContact N-OE2 3.17Å
26Y94.8Very high90.3Very high66 Ų6683.6 Ų83.626%0.25945%0.454SS..Hα-helixtrans-55.4-47.7173.5171.1-99.9000110.5H19 C23 A28 V29 L30 L46 E49 L50 L53H19-Y26 HydrophobicContact CB-CD1 4.17Å; H19-Y26 HydrophobicContact CB-CE1 4.37Å; C23-Y26 HydrophobicContact CB-CD1 4.38Å; Y26-A28 VanDerWaalsContact C-N 3.33Å; Y26-A28 PolarHBondContact O-N 3.22Å; Y26-V29 PolarHBondContact O-N 3.21Å; Y26-L30 HydrophobicContact CD1-CD1 3.99Å; Y26-L30 HydrophobicContact CE1-CD1 3.35Å; Y26-L30 HydrophobicContact CE1-CG 4.14Å; Y26-L30 HydrophobicContact CE2-CD1 4.31Å; Y26-L30 HydrophobicContact CE2-CD2 4.46Å; Y26-L30 HydrophobicContact CE2-CG 4.33Å; Y26-L30 WeakPolarHBondContact O-CG 3.35Å; Y26-L30 PolarHBondContact O-N 2.87Å; Y26-L46 HydrophobicContact CD2-CD1 4.4Å; Y26-E49 WeakPolarHBondContact CB-OE2 3.47Å; Y26-E49 PolarHBondContact N-OE2 2.9Å; Y26-L50 HydrophobicContact CD2-CD2 3.81Å; Y26-L50 HydrophobicContact CE2-CD2 4.02Å; Y26-L53 HydrophobicContact CD1-CD1 3.93Å; Y26-L53 HydrophobicContact CD2-CD1 4.19Å; Y26-L53 HydrophobicContact CE1-CD1 3.97Å; Y26-L53 HydrophobicContact CE2-CD1 4.23Å; Y26-L53 HydrophobicContact CG-CD1 4.03Å
27T94.3Very high90.2Very high32 Ų3281 Ų8120%0.19644%0.442CS..Hα-helixtrans-60.2-42.4176.2-60.60000111.7H19 L20 C23 P24 R25 L30 A31H19-T27 PolarHBondContact ND1-OG1 3.41Å; H19-T27 PolarHBondContact O-OG1 3.37Å; L20-T27 HydrophobicContact CD2-CG2 3.49Å; L20-T27 VanDerWaalsContact CD2-CG2 3.49Å; C23-T27 WeakPolarHBondContact O-CB 3.17Å; C23-T27 PolarHBondContact O-N 2.96Å; C23-T27 PolarHBondContact O-OG1 3.34Å; P24-T27 PolarHBondContact O-N 2.82Å; R25-T27 VanDerWaalsContact C-N 3.3Å; R25-T27 PolarHBondContact O-N 3.3Å; T27-L30 PolarHBondContact O-N 3.25Å; T27-A31 PolarHBondContact O-N 3.12Å
28A92.6Very high90.3Very high45 Ų4583.9 Ų83.937%0.37246%0.456SS..Hα-helixtrans-66.4-38.9177.900000112.3P24 R25 Y26 A31P24-A28 VanDerWaalsContact O-CB 3.32Å; P24-A28 WeakPolarHBondContact O-CB 3.48Å; P24-A28 PolarHBondContact O-N 2.96Å; R25-A28 PolarHBondContact O-N 3.47Å; R25-A28 VanDerWaalsContact O-N 3.16Å; Y26-A28 VanDerWaalsContact C-N 3.33Å; Y26-A28 PolarHBondContact O-N 3.22Å; A28-A31 PolarHBondContact O-N 2.91Å
29V92Very high90.1Very high30 Ų3082.5 Ų82.518%0.18246%0.456CS..Hα-helixtrans-64.9-40.5175.5170.90000110.9R25 Y26 A31 R32 I38 L46R25-V29 WeakPolarHBondContact O-CG2 3.43Å; R25-V29 PolarHBondContact O-N 3.04Å; Y26-V29 PolarHBondContact O-N 3.21Å; V29-A31 PolarHBondContact O-N 3.37Å; V29-R32 WeakPolarHBondContact O-CB 3.3Å; V29-R32 PolarHBondContact O-N 3.21Å; V29-I38 HydrophobicContact CG1-CD1 4.2Å; V29-I38 HydrophobicContact CG1-CG1 4.09Å; V29-L46 HydrophobicContact CG2-CD1 4.43Å
30L92Very high89.9Confident104 Ų10486.1 Ų86.155%0.54548%0.476SS..Hα-helixtrans-63.1-24.8175.3-73.6-179.2000113.9Y26 T27 R32Y26-L30 HydrophobicContact CD1-CD1 3.99Å; Y26-L30 HydrophobicContact CE1-CD1 3.35Å; Y26-L30 HydrophobicContact CE1-CG 4.14Å; Y26-L30 HydrophobicContact CE2-CD1 4.31Å; Y26-L30 HydrophobicContact CE2-CD2 4.46Å; Y26-L30 HydrophobicContact CE2-CG 4.33Å; Y26-L30 WeakPolarHBondContact O-CG 3.35Å; Y26-L30 PolarHBondContact O-N 2.87Å; T27-L30 PolarHBondContact O-N 3.25Å; L30-R32 VanDerWaalsContact C-N 3.33Å
31A91.2Very high89.9Confident88 Ų8888.9 Ų88.973%0.72749%0.486SS*.THydrogen-bonded Turntrans-85.5-3.5-179.400000113.6T27 A28 V29T27-A31 PolarHBondContact O-N 3.12Å; A28-A31 PolarHBondContact O-N 2.91Å; V29-A31 PolarHBondContact O-N 3.37Å
32R91.1Very high89.9Confident79 Ų7982.2 Ų82.230%0.29846%0.458SS..SBendtrans-83.3157.3-179.8-67.5178.5-174177.41.8112V29 L30 D36 G37 E42V29-R32 WeakPolarHBondContact O-CB 3.3Å; V29-R32 PolarHBondContact O-N 3.21Å; L30-R32 VanDerWaalsContact C-N 3.33Å; R32-D36 HydrophobicContact CB-CB 4.13Å; R32-D36 HydrophobicContact CG-CB 4.41Å; R32-G37 PolarHBondContact NH1-O 3.16Å; R32-E42 IonicContact CZ-OE1 3.58Å; R32-E42 IonicContact CZ-OE2 2.73Å; R32-E42 IonicContact NH1-OE1 3.62Å; R32-E42 IonicContact NH1-OE2 2.63Å; R32-E42 PolarHBondContact NH1-OE2 3.22Å; R32-E42 IonicContact NH2-OE1 2.67Å; R32-E42 PolarHBondContact NH2-OE1 2.97Å; R32-E42 IonicContact NH2-OE2 3.74Å; R32-E42 PolarHBondContact NH2-OE2 2.92Å
33S87Confident90Very high66 Ų6682.7 Ų82.746%0.46246%0.457SS..  trans-71158164.657.70000110.3D35 D36S33-D35 PolarHBondContact O-N 3.45Å; S33-D35 VanDerWaalsContact O-N 3.08Å; S33-D36 PolarHBondContact O-N 3.24Å
34E81.5Confident89.8Confident200 Ų20088.8 Ų88.894%0.93549%0.49SS*.THydrogen-bonded Turntrans-58.2-22.3177.9-65-178.6169.600112.9
35D84.1Confident89.8Confident156 Ų15688.1 Ų88.183%0.83448%0.484SS*.THydrogen-bonded Turntrans-79.3-23.6-178.4-63.5-46.6000114.6S33 G37S33-D35 PolarHBondContact O-N 3.45Å; S33-D35 VanDerWaalsContact O-N 3.08Å; D35-G37 VanDerWaalsContact C-N 3.35Å; D35-G37 PolarHBondContact O-N 3.19Å
36D81.8Confident89.8Confident115 Ų11584.9 Ų84.962%0.61547%0.473SS*.SBendtrans-78.5-17-171.5-89.6-17.6000113.7R32 S33R32-D36 HydrophobicContact CB-CB 4.13Å; R32-D36 HydrophobicContact CG-CB 4.41Å; S33-D36 PolarHBondContact O-N 3.24Å
37G83.8Confident89.8Confident41 Ų4186.7 Ų86.742%0.42348%0.484SS..  trans58.6-171.2177.200000115.4R32 D35R32-G37 PolarHBondContact NH1-O 3.16Å; D35-G37 VanDerWaalsContact C-N 3.35Å; D35-G37 PolarHBondContact O-N 3.19Å
38I89.2Confident89.9Confident93 Ų9390.3 Ų90.348%0.47750%0.501SS..  trans-117.6119.5178.5-57.5172.3000108.1V29 L46V29-I38 HydrophobicContact CG1-CD1 4.2Å; V29-I38 HydrophobicContact CG1-CG1 4.09Å; I38-L46 HydrophobicContact CD1-CD2 4Å; I38-L46 HydrophobicContact CG2-CD2 4Å
39G88Confident90Very high34 Ų3488.9 Ų88.935%0.35149%0.487SS..  trans-74.4147.9178.300000112E41 E42G39-E41 PolarHBondContact O-N 3.17Å; G39-E42 PolarHBondContact N-OE2 3.47Å; G39-E42 WeakPolarHBondContact O-CB 3.44Å; G39-E42 PolarHBondContact O-N 2.67Å
40I89.1Confident90.2Very high146 Ų14691.3 Ų91.375%0.74950%0.498SS*.Hα-helixtrans-60.9-32.2179.5-163163.6000112.8E42 L43I40-E42 PolarHBondContact O-N 3.44Å; I40-L43 WeakPolarHBondContact O-CB 3.28Å; I40-L43 PolarHBondContact O-N 2.94Å
41E89.9Confident90.4Very high174 Ų17490.2 Ų90.281%0.81349%0.491SS*.Hα-helixtrans-62.9-21.7176.8-53.9-77.5177.200112.8G39G39-E41 PolarHBondContact O-N 3.17Å
42E92.7Very high90.5Very high24 Ų2488.8 Ų88.811%0.11247%0.473CS..Hα-helixtrans-98.3-14.8-174.3-51.1-174.813000112.2R25 R32 G39 I40 D44 T45 L46R25-E42 IonicContact CZ-OE1 3.95Å; R25-E42 VanDerWaalsContact NH1-CD 3.3Å; R25-E42 IonicContact NH1-OE1 3.99Å; R25-E42 PolarHBondContact NH1-OE1 2.95Å; R32-E42 IonicContact CZ-OE1 3.58Å; R32-E42 IonicContact CZ-OE2 2.73Å; R32-E42 IonicContact NH1-OE1 3.62Å; R32-E42 IonicContact NH1-OE2 2.63Å; R32-E42 PolarHBondContact NH1-OE2 3.22Å; R32-E42 IonicContact NH2-OE1 2.67Å; R32-E42 PolarHBondContact NH2-OE1 2.97Å; R32-E42 IonicContact NH2-OE2 3.74Å; R32-E42 PolarHBondContact NH2-OE2 2.92Å; G39-E42 PolarHBondContact N-OE2 3.47Å; G39-E42 WeakPolarHBondContact O-CB 3.44Å; G39-E42 PolarHBondContact O-N 2.67Å; I40-E42 PolarHBondContact O-N 3.44Å; E42-D44 PolarHBondContact O-N 3.28Å; E42-T45 PolarHBondContact O-N 2.87Å; E42-L46 VanDerWaalsContact O-CB 3.28Å; E42-L46 WeakPolarHBondContact O-CB 3.31Å; E42-L46 PolarHBondContact O-N 2.81Å
43L92.4Very high90.6Very high88 Ų8886.8 Ų86.846%0.46147%0.468SS..Hα-helixtrans-63.8-44.1-168.5-167.368.2000112I40 T45 L46 Q47I40-L43 WeakPolarHBondContact O-CB 3.28Å; I40-L43 PolarHBondContact O-N 2.94Å; L43-T45 PolarHBondContact O-N 3.33Å; L43-L46 PolarHBondContact O-N 3.34Å; L43-Q47 VanDerWaalsContact O-CB 3.32Å; L43-Q47 WeakPolarHBondContact O-CB 3.41Å; L43-Q47 PolarHBondContact O-N 2.87Å
44D91.3Very high91Very high129 Ų12988.8 Ų88.869%0.6947%0.473SS*.Hα-helixtrans-63.4-41.9179.9-71.1-14.7000111.8E42 L48E42-D44 PolarHBondContact O-N 3.28Å; D44-L48 PolarHBondContact O-N 2.98Å
45T93Very high91.5Very high60 Ų6083 Ų8337%0.36845%0.454SS..Hα-helixtrans-69.5-44.2177.7-54.20000110.7R25 E42 L43 Q47 L48 E49R25-T45 HydrophobicContact CB-CG2 3.91Å; R25-T45 HydrophobicContact CG-CG2 4.33Å; E42-T45 PolarHBondContact O-N 2.87Å; L43-T45 PolarHBondContact O-N 3.33Å; T45-Q47 VanDerWaalsContact C-N 3.31Å; T45-Q47 PolarHBondContact O-N 3.4Å; T45-L48 PolarHBondContact O-N 2.92Å; T45-E49 WeakPolarHBondContact O-CG 3.43Å; T45-E49 PolarHBondContact O-N 3.11Å; T45-E49 VanDerWaalsContact O-N 3.09Å
46L95Very high91.9Very high12 Ų1277 Ų776%0.06342%0.424CS..Hα-helixtrans-61.3-41.3177.7-177.663.7000111.1R25 Y26 V29 I38 E42 L43 L48 E49 L50R25-L46 HydrophobicContact CG-CB 4.16Å; R25-L46 HydrophobicContact CG-CD1 4.43Å; Y26-L46 HydrophobicContact CD2-CD1 4.4Å; V29-L46 HydrophobicContact CG2-CD1 4.43Å; I38-L46 HydrophobicContact CD1-CD2 4Å; I38-L46 HydrophobicContact CG2-CD2 4Å; E42-L46 VanDerWaalsContact O-CB 3.28Å; E42-L46 WeakPolarHBondContact O-CB 3.31Å; E42-L46 PolarHBondContact O-N 2.81Å; L43-L46 PolarHBondContact O-N 3.34Å; L46-L48 PolarHBondContact O-N 2.82Å; L46-E49 PolarHBondContact O-N 3.13Å; L46-L50 HydrophobicContact CD1-CD1 4.39Å; L46-L50 HydrophobicContact CD1-CG 4.36Å; L46-L50 HydrophobicContact CG-CD1 4Å; L46-L50 HydrophobicContact CG-CG 4.4Å; L46-L50 WeakPolarHBondContact O-CB 3.47Å; L46-L50 VanDerWaalsContact O-CG 3.25Å; L46-L50 WeakPolarHBondContact O-CG 3.28Å; L46-L50 PolarHBondContact O-N 3.08Å
47Q94.5Very high92.4Very high104 Ų10473.4 Ų73.449%0.48641%0.411SS..Hα-helixtrans-59-48.5176.2-176.5-178.2-42.800111.1L43 T45 E49 L50 E51L43-Q47 VanDerWaalsContact O-CB 3.32Å; L43-Q47 WeakPolarHBondContact O-CB 3.41Å; L43-Q47 PolarHBondContact O-N 2.87Å; T45-Q47 VanDerWaalsContact C-N 3.31Å; T45-Q47 PolarHBondContact O-N 3.4Å; Q47-E49 VanDerWaalsContact C-N 3.32Å; Q47-E49 PolarHBondContact O-N 3.19Å; Q47-L50 PolarHBondContact O-N 3.47Å; Q47-E51 PolarHBondContact NE2-OE1 3.03Å; Q47-E51 WeakPolarHBondContact O-CG 3.49Å; Q47-E51 PolarHBondContact O-N 3.32Å
48L94.9Very high92.9Very high108 Ų10873.8 Ų73.857%0.56541%0.407SS*.Hα-helixtrans-61.4-40.3179.8-17666.5000112.5D44 T45 L46 E51 T52D44-L48 PolarHBondContact O-N 2.98Å; T45-L48 PolarHBondContact O-N 2.92Å; L46-L48 PolarHBondContact O-N 2.82Å; L48-E51 PolarHBondContact O-N 3.5Å; L48-T52 PolarHBondContact O-N 2.79Å; L48-T52 PolarHBondContact O-OG1 3.44Å
49E96.3Very high92.9Very high16 Ų1678 Ų788%0.07542%0.417CS..Hα-helixtrans-68.6-39.6177-70.5-176.1-171.900112.1C23 P24 R25 Y26 T45 L46 Q47 T52 L53C23-E49 VanDerWaalsContact C-CD 3.5Å; C23-E49 VanDerWaalsContact CA-CD 3.41Å; C23-E49 WeakPolarHBondContact CA-OE2 3.36Å; C23-E49 HydrophobicContact CB-CB 3.99Å; C23-E49 HydrophobicContact CB-CG 4.19Å; C23-E49 WeakPolarHBondContact CB-OE2 3.25Å; P24-E49 WeakPolarHBondContact CD-OE1 3.24Å; P24-E49 WeakPolarHBondContact CG-OE1 3.35Å; R25-E49 WeakPolarHBondContact CA-OE2 3.48Å; R25-E49 VanDerWaalsContact CB-OE1 3.28Å; R25-E49 WeakPolarHBondContact CB-OE1 3.44Å; R25-E49 WeakPolarHBondContact CB-OE2 3.22Å; R25-E49 VanDerWaalsContact N-CD 3.35Å; R25-E49 PolarHBondContact N-OE1 3.03Å; R25-E49 PolarHBondContact N-OE2 3.17Å; Y26-E49 WeakPolarHBondContact CB-OE2 3.47Å; Y26-E49 PolarHBondContact N-OE2 2.9Å; T45-E49 WeakPolarHBondContact O-CG 3.43Å; T45-E49 PolarHBondContact O-N 3.11Å; T45-E49 VanDerWaalsContact O-N 3.09Å; L46-E49 PolarHBondContact O-N 3.13Å; Q47-E49 VanDerWaalsContact C-N 3.32Å; Q47-E49 PolarHBondContact O-N 3.19Å; E49-T52 WeakPolarHBondContact O-CB 3.48Å; E49-T52 PolarHBondContact O-N 3.08Å; E49-L53 PolarHBondContact O-N 2.82Å
50L95.9Very high93.2Very high80 Ų8080.7 Ų80.742%0.41942%0.417SS..Hα-helixtrans-65-39173.6-71.9173.2000112Y26 L46 Q47 T52 L53 L54Y26-L50 HydrophobicContact CD2-CD2 3.81Å; Y26-L50 HydrophobicContact CE2-CD2 4.02Å; L46-L50 HydrophobicContact CD1-CD1 4.39Å; L46-L50 HydrophobicContact CD1-CG 4.36Å; L46-L50 HydrophobicContact CG-CD1 4Å; L46-L50 HydrophobicContact CG-CG 4.4Å; L46-L50 WeakPolarHBondContact O-CB 3.47Å; L46-L50 VanDerWaalsContact O-CG 3.25Å; L46-L50 WeakPolarHBondContact O-CG 3.28Å; L46-L50 PolarHBondContact O-N 3.08Å; Q47-L50 PolarHBondContact O-N 3.47Å; L50-T52 VanDerWaalsContact C-N 3.27Å; L50-T52 PolarHBondContact O-N 3.47Å; L50-L53 HydrophobicContact CD2-CD1 4.42Å; L50-L53 PolarHBondContact O-N 2.95Å; L50-L54 VanDerWaalsContact O-CB 3.3Å; L50-L54 WeakPolarHBondContact O-CB 3.49Å; L50-L54 PolarHBondContact O-N 3.07Å
51E95.6Very high93.3Very high82 Ų8278.4 Ų78.438%0.38341%0.405SS..Hα-helixtrans-62.5-35172.9-75.5177.6-170.500111.8Q47 L48 S55Q47-E51 PolarHBondContact NE2-OE1 3.03Å; Q47-E51 WeakPolarHBondContact O-CG 3.49Å; Q47-E51 PolarHBondContact O-N 3.32Å; L48-E51 PolarHBondContact O-N 3.5Å; E51-S55 VanDerWaalsContact O-CB 3.28Å; E51-S55 WeakPolarHBondContact O-CB 3.19Å; E51-S55 PolarHBondContact O-N 3.49Å; E51-S55 PolarHBondContact O-OG 2.83Å
52T93Very high93.4Very high57 Ų5778.1 Ų78.135%0.3540%0.397SS..Hα-helixtrans-66.1-46.4174.5-59.80000111.3V22 L48 E49 L50 S55 S56V22-T52 HydrophobicContact CG1-CG2 4.09Å; L48-T52 PolarHBondContact O-N 2.79Å; L48-T52 PolarHBondContact O-OG1 3.44Å; E49-T52 WeakPolarHBondContact O-CB 3.48Å; E49-T52 PolarHBondContact O-N 3.08Å; L50-T52 VanDerWaalsContact C-N 3.27Å; L50-T52 PolarHBondContact O-N 3.47Å; T52-S55 PolarHBondContact O-N 3.08Å; T52-S56 PolarHBondContact O-N 3.08Å; T52-S56 VanDerWaalsContact O-N 3.12Å
53L94Very high93.3Very high37 Ų3778.5 Ų78.519%0.19440%0.401CS..Hα-helixtrans-62.4-44.4175.5-69.7172000111.5V17 Y26 E49 L50 S56 A57V17-L53 HydrophobicContact CB-CD2 3.9Å; V17-L53 HydrophobicContact CG1-CD2 3.9Å; V17-L53 HydrophobicContact CG2-CD2 4.37Å; Y26-L53 HydrophobicContact CD1-CD1 3.93Å; Y26-L53 HydrophobicContact CD2-CD1 4.19Å; Y26-L53 HydrophobicContact CE1-CD1 3.97Å; Y26-L53 HydrophobicContact CE2-CD1 4.23Å; Y26-L53 HydrophobicContact CG-CD1 4.03Å; E49-L53 PolarHBondContact O-N 2.82Å; L50-L53 HydrophobicContact CD2-CD1 4.42Å; L50-L53 PolarHBondContact O-N 2.95Å; L53-S56 PolarHBondContact O-N 3.39Å; L53-A57 PolarHBondContact O-N 2.84Å
54L94.5Very high93.3Very high108 Ų10878.3 Ų78.357%0.56540%0.4SS*.Hα-helixtrans-61.6-47.2177.5-179.261.9000111.1L50 S56 A57 S58L50-L54 VanDerWaalsContact O-CB 3.3Å; L50-L54 WeakPolarHBondContact O-CB 3.49Å; L50-L54 PolarHBondContact O-N 3.07Å; L54-S56 VanDerWaalsContact C-N 3.28Å; L54-S56 PolarHBondContact O-N 3.01Å; L54-A57 PolarHBondContact O-N 3.12Å; L54-A57 VanDerWaalsContact O-N 3.1Å; L54-S58 PolarHBondContact O-N 3.36Å; L54-S58 PolarHBondContact O-OG 2.82Å; L54-S58 VanDerWaalsContact O-OG 3.11Å
55S92.8Very high93.3Very high79 Ų7977.2 Ų77.255%0.55239%0.391SS*.Hα-helixtrans-58.2-41178.2-64.60000112.1E51 T52 R59E51-S55 VanDerWaalsContact O-CB 3.28Å; E51-S55 WeakPolarHBondContact O-CB 3.19Å; E51-S55 PolarHBondContact O-N 3.49Å; E51-S55 PolarHBondContact O-OG 2.83Å; T52-S55 PolarHBondContact O-N 3.08Å; S55-R59 WeakPolarHBondContact O-CB 3.43Å; S55-R59 PolarHBondContact O-N 2.98Å
56S91.5Very high93.2Very high29 Ų2976.9 Ų76.920%0.20339%0.394CS..Hα-helixtrans-66.7-43174.8-177.90000112.4V17 T52 L53 L54 R59 R60V17-S56 WeakPolarHBondContact CG2-OG 3.28Å; T52-S56 PolarHBondContact O-N 3.08Å; T52-S56 VanDerWaalsContact O-N 3.12Å; L53-S56 PolarHBondContact O-N 3.39Å; L54-S56 VanDerWaalsContact C-N 3.28Å; L54-S56 PolarHBondContact O-N 3.01Å; S56-R59 PolarHBondContact O-N 3.34Å; S56-R60 WeakPolarHBondContact O-CG 3.41Å; S56-R60 PolarHBondContact O-N 3.44Å; S56-R60 VanDerWaalsContact O-N 3.1Å
57A92.9Very high92.9Very high40 Ų4077.3 Ų77.333%0.33140%0.395SS..Hα-helixtrans-62.7-47175.700000112.2L53 L54 R59 R60 L61L53-A57 PolarHBondContact O-N 2.84Å; L54-A57 PolarHBondContact O-N 3.12Å; L54-A57 VanDerWaalsContact O-N 3.1Å; A57-R59 VanDerWaalsContact C-N 3.31Å; A57-R59 PolarHBondContact O-N 3.31Å; A57-R60 PolarHBondContact O-N 2.86Å; A57-R60 VanDerWaalsContact O-N 3.13Å; A57-L61 PolarHBondContact O-N 3.24Å
58S93.6Very high92.6Very high50 Ų5076.1 Ų76.135%0.3540%0.396SS..Hα-helixtrans-64.7-32.1178.3-58.50000113L54 R62L54-S58 PolarHBondContact O-N 3.36Å; L54-S58 PolarHBondContact O-OG 2.82Å; L54-S58 VanDerWaalsContact O-OG 3.11Å; S58-R62 WeakPolarHBondContact O-CG 3.34Å; S58-R62 PolarHBondContact O-N 3.11Å; S58-R62 VanDerWaalsContact O-N 3.17Å; S58-R62 PolarHBondContact O-NE 3Å
59R90.7Very high92.3Very high180 Ų18076 Ų7668%0.67939%0.392SS*.Hα-helixtrans-67-44.4171.8-177.8175.5169-116.9-3.1111.1S55 S56 A57 V63S55-R59 WeakPolarHBondContact O-CB 3.43Å; S55-R59 PolarHBondContact O-N 2.98Å; S56-R59 PolarHBondContact O-N 3.34Å; A57-R59 VanDerWaalsContact C-N 3.31Å; A57-R59 PolarHBondContact O-N 3.31Å; R59-V63 WeakPolarHBondContact O-CG2 3.34Å; R59-V63 PolarHBondContact O-N 3.02Å
60R92.5Very high91.8Very high91 Ų9177.8 Ų77.834%0.34340%0.402SS..Hα-helixtrans-63.2-43.8176.8-69.9-175.1-74.9159.60.4112F14 S56 A57 V63 L64F14-R60 HydrophobicContact CD1-CB 4.15Å; F14-R60 HydrophobicContact CD1-CG 3.66Å; F14-R60 HydrophobicContact CE1-CB 4.22Å; F14-R60 HydrophobicContact CE1-CG 4.15Å; F14-R60 HydrophobicContact CG-CG 4.48Å; S56-R60 WeakPolarHBondContact O-CG 3.41Å; S56-R60 PolarHBondContact O-N 3.44Å; S56-R60 VanDerWaalsContact O-N 3.1Å; A57-R60 PolarHBondContact O-N 2.86Å; A57-R60 VanDerWaalsContact O-N 3.13Å; R60-V63 PolarHBondContact O-N 2.92Å; R60-L64 WeakPolarHBondContact O-CG 3.36Å; R60-L64 PolarHBondContact O-N 3.48Å
61L93.1Very high91.2Very high98 Ų9877.6 Ų77.651%0.51340%0.401SS..Hα-helixtrans-58.6-50.1177.9-17565.6000111.5A57 V63 L64 E65A57-L61 PolarHBondContact O-N 3.24Å; L61-V63 VanDerWaalsContact C-N 3.27Å; L61-V63 PolarHBondContact O-N 3.38Å; L61-L64 PolarHBondContact O-N 2.95Å; L61-L64 VanDerWaalsContact O-N 3.11Å; L61-E65 HydrophobicContact CD1-CG 4.49Å; L61-E65 HydrophobicContact CG-CG 4.4Å; L61-E65 WeakPolarHBondContact O-CG 3.29Å; L61-E65 PolarHBondContact O-N 3.29Å
62R91.9Very high90.6Very high168 Ų16876.5 Ų76.563%0.63440%0.4SS*.Hα-helixtrans-58.6-37.3177.6-78.5-174.2-72.3164.9-6.5113.5S58 A66S58-R62 WeakPolarHBondContact O-CG 3.34Å; S58-R62 PolarHBondContact O-N 3.11Å; S58-R62 VanDerWaalsContact O-N 3.17Å; S58-R62 PolarHBondContact O-NE 3Å; R62-A66 WeakPolarHBondContact O-CB 3.44Å; R62-A66 PolarHBondContact O-N 3.26Å; R62-A66 VanDerWaalsContact O-N 3.09Å
63V90.4Very high90.1Very high33 Ų3376.9 Ų76.920%0.240%0.399CS..Hα-helixtrans-69.1-43.8176.7175.20000110.5H12 F14 R59 R60 L61 A66 E67H12-V63 HydrophobicContact CB-CG1 4.07Å; H12-V63 VanDerWaalsContact ND1-CG1 3.31Å; H12-V63 WeakPolarHBondContact ND1-CG1 3.43Å; F14-V63 HydrophobicContact CE1-CB 4Å; F14-V63 HydrophobicContact CE1-CG1 3.83Å; F14-V63 HydrophobicContact CZ-CB 4.15Å; F14-V63 HydrophobicContact CZ-CG1 3.7Å; R59-V63 WeakPolarHBondContact O-CG2 3.34Å; R59-V63 PolarHBondContact O-N 3.02Å; R60-V63 PolarHBondContact O-N 2.92Å; L61-V63 VanDerWaalsContact C-N 3.27Å; L61-V63 PolarHBondContact O-N 3.38Å; V63-A66 PolarHBondContact O-N 3.44Å; V63-E67 VanDerWaalsContact O-CG 3.29Å; V63-E67 WeakPolarHBondContact O-CG 3.34Å; V63-E67 PolarHBondContact O-N 3.47Å
64L91.2Very high89.3Confident84 Ų8479.5 Ų79.544%0.4441%0.407SS..Hα-helixtrans-64.8-38.2176.2-73.2172.2000112.6F14 R60 L61 A66 E67 T68F14-L64 HydrophobicContact CE2-CD2 3.53Å; F14-L64 HydrophobicContact CE2-CG 4.01Å; F14-L64 HydrophobicContact CZ-CD2 3.75Å; F14-L64 HydrophobicContact CZ-CG 3.79Å; R60-L64 WeakPolarHBondContact O-CG 3.36Å; R60-L64 PolarHBondContact O-N 3.48Å; L61-L64 PolarHBondContact O-N 2.95Å; L61-L64 VanDerWaalsContact O-N 3.11Å; L64-A66 VanDerWaalsContact C-N 3.34Å; L64-E67 PolarHBondContact O-N 2.85Å; L64-T68 WeakPolarHBondContact O-CB 3.37Å; L64-T68 PolarHBondContact O-N 3.29Å; L64-T68 PolarHBondContact O-OG1 2.79Å
65E92.7Very high88.4Confident106 Ų10681 Ų8150%0.49541%0.411SS..Hα-helixtrans-61.4-43.1173.4-74.5170.5165.600111L61 T68 Q69L61-E65 HydrophobicContact CD1-CG 4.49Å; L61-E65 HydrophobicContact CG-CG 4.4Å; L61-E65 WeakPolarHBondContact O-CG 3.29Å; L61-E65 PolarHBondContact O-N 3.29Å; E65-T68 PolarHBondContact O-N 2.88Å; E65-Q69 WeakPolarHBondContact O-CB 3.48Å; E65-Q69 PolarHBondContact O-N 3.02Å
66A90.1Very high87.4Confident52 Ų5282.6 Ų82.643%0.4341%0.413SS..Hα-helixtrans-63.7-43.9175.500000112.4R62 V63 L64 T68 Q69 I70R62-A66 WeakPolarHBondContact O-CB 3.44Å; R62-A66 PolarHBondContact O-N 3.26Å; R62-A66 VanDerWaalsContact O-N 3.09Å; V63-A66 PolarHBondContact O-N 3.44Å; L64-A66 VanDerWaalsContact C-N 3.34Å; A66-T68 VanDerWaalsContact C-N 3.33Å; A66-T68 PolarHBondContact O-N 2.94Å; A66-Q69 PolarHBondContact O-N 2.73Å; A66-I70 VanDerWaalsContact O-CG1 3.28Å; A66-I70 WeakPolarHBondContact O-CG1 3.5Å; A66-I70 PolarHBondContact O-N 3.31Å
67E88.8Confident86Confident21 Ų2188.3 Ų88.310%0.09844%0.435CS..Hα-helixtrans-64.6-37.2175.3-64.6-83.8-172.200111.6L9 Q10 F11 H12 V63 L64 I70 L71L9-E67 WeakPolarHBondContact CA-OE2 3.49Å; L9-E67 VanDerWaalsContact CB-OE2 3.23Å; L9-E67 WeakPolarHBondContact CB-OE2 3.3Å; L9-E67 HydrophobicContact CD2-CB 4.25Å; L9-E67 WeakPolarHBondContact CD2-O 3.42Å; L9-E67 WeakPolarHBondContact CD2-OE2 3.49Å; Q10-E67 WeakPolarHBondContact CA-OE1 3.32Å; Q10-E67 VanDerWaalsContact CB-OE1 3.32Å; Q10-E67 WeakPolarHBondContact CB-OE1 3.36Å; Q10-E67 PolarHBondContact N-OE1 3.4Å; Q10-E67 PolarHBondContact N-OE2 3.47Å; Q10-E67 VanDerWaalsContact N-OE2 3.12Å; F11-E67 PolarHBondContact N-OE1 3.19Å; H12-E67 IonicContact CE1-OE1 3.26Å; H12-E67 PolarHBondContact CE1-OE1 3.5Å; H12-E67 IonicContact ND1-OE1 2.64Å; H12-E67 PolarHBondContact ND1-OE1 3.27Å; V63-E67 VanDerWaalsContact O-CG 3.29Å; V63-E67 WeakPolarHBondContact O-CG 3.34Å; V63-E67 PolarHBondContact O-N 3.47Å; L64-E67 PolarHBondContact O-N 2.85Å; E67-I70 PolarHBondContact O-N 3.01Å; E67-L71 PolarHBondContact O-N 3.45Å
68T89Confident84.4Confident80 Ų8092.8 Ų92.849%0.49145%0.447SS..Hα-helixtrans-65.8-43.8175.4-56.50000110.9L64 E65 A66 I70 L71 T72L64-T68 WeakPolarHBondContact O-CB 3.37Å; L64-T68 PolarHBondContact O-N 3.29Å; L64-T68 PolarHBondContact O-OG1 2.79Å; E65-T68 PolarHBondContact O-N 2.88Å; A66-T68 VanDerWaalsContact C-N 3.33Å; A66-T68 PolarHBondContact O-N 2.94Å; T68-I70 VanDerWaalsContact C-N 3.31Å; T68-I70 PolarHBondContact O-N 2.89Å; T68-L71 WeakPolarHBondContact O-CB 3.44Å; T68-L71 PolarHBondContact O-N 2.98Å; T68-L71 VanDerWaalsContact O-N 3.12Å; T68-T72 PolarHBondContact O-N 2.97Å; T68-T72 PolarHBondContact O-OG1 2.92Å
69Q88.4Confident82.3Confident106 Ų10693.8 Ų93.850%0.49546%0.464SS..Hα-helixtrans-61.3-41.2175.3-172.363.150.900111.5E65 A66 L71 T72 D73E65-Q69 WeakPolarHBondContact O-CB 3.48Å; E65-Q69 PolarHBondContact O-N 3.02Å; A66-Q69 PolarHBondContact O-N 2.73Å; Q69-L71 VanDerWaalsContact C-N 3.3Å; Q69-L71 PolarHBondContact O-N 3.4Å; Q69-T72 PolarHBondContact O-N 2.97Å; Q69-D73 PolarHBondContact NE2-OD1 3.22Å; Q69-D73 WeakPolarHBondContact O-CB 3.31Å; Q69-D73 VanDerWaalsContact O-CG 3.27Å; Q69-D73 PolarHBondContact O-N 3.17Å
70I85.8Confident80.2Confident53 Ų5390 Ų9027%0.27246%0.457SS..Hα-helixtrans-59.8-41.5174.4-71.3166000111P8 L9 A66 E67 T68 W74P8-I70 HydrophobicContact CB-CG2 3.61Å; P8-I70 HydrophobicContact CG-CG2 3.42Å; P8-I70 VanDerWaalsContact CG-CG2 3.42Å; L9-I70 HydrophobicContact CD2-CB 4.27Å; L9-I70 HydrophobicContact CD2-CG2 3.88Å; A66-I70 VanDerWaalsContact O-CG1 3.28Å; A66-I70 WeakPolarHBondContact O-CG1 3.5Å; A66-I70 PolarHBondContact O-N 3.31Å; E67-I70 PolarHBondContact O-N 3.01Å; T68-I70 VanDerWaalsContact C-N 3.31Å; T68-I70 PolarHBondContact O-N 2.89Å; I70-W74 WeakPolarHBondContact O-CB 3.37Å; I70-W74 PolarHBondContact O-N 3.32Å
71L81.9Confident78.2Confident76 Ų7697.4 Ų97.440%0.39849%0.486SS..Hα-helixtrans-64-44.2175.5-78.1177.2000112.5L9 E67 T68 Q69 W74 Q75L9-L71 HydrophobicContact CD1-CD1 4.38Å; L9-L71 HydrophobicContact CD1-CD2 3.9Å; L9-L71 HydrophobicContact CD1-CG 4.2Å; L9-L71 HydrophobicContact CD2-CD2 4.01Å; L9-L71 HydrophobicContact CD2-CG 3.8Å; L9-L71 HydrophobicContact CG-CD2 4.23Å; L9-L71 HydrophobicContact CG-CG 4.48Å; E67-L71 PolarHBondContact O-N 3.45Å; T68-L71 WeakPolarHBondContact O-CB 3.44Å; T68-L71 PolarHBondContact O-N 2.98Å; T68-L71 VanDerWaalsContact O-N 3.12Å; Q69-L71 VanDerWaalsContact C-N 3.3Å; Q69-L71 PolarHBondContact O-N 3.4Å; L71-W74 PolarHBondContact O-N 3.11Å; L71-Q75 WeakPolarHBondContact O-CB 3.23Å; L71-Q75 PolarHBondContact O-N 3.22Å
72T84.1Confident76.1Confident59 Ų59102.8 Ų102.836%0.36250%0.499SS..Hα-helixtrans-60.6-51.4176.8-56.90000110.7T68 Q69 W74 Q75 D76T68-T72 PolarHBondContact O-N 2.97Å; T68-T72 PolarHBondContact O-OG1 2.92Å; Q69-T72 PolarHBondContact O-N 2.97Å; T72-W74 VanDerWaalsContact C-N 3.25Å; T72-W74 PolarHBondContact O-N 3.37Å; T72-Q75 WeakPolarHBondContact O-CB 3.33Å; T72-Q75 PolarHBondContact O-N 3.45Å; T72-Q75 VanDerWaalsContact O-N 3.12Å; T72-D76 PolarHBondContact O-N 3.33Å
73D82.8Confident73.7Confident64 Ų64103.2 Ų103.234%0.34251%0.506SS..Hα-helixtrans-60.7-35.5177.9-69.72.4000112Q69 K77Q69-D73 PolarHBondContact NE2-OD1 3.22Å; Q69-D73 WeakPolarHBondContact O-CB 3.31Å; Q69-D73 VanDerWaalsContact O-CG 3.27Å; Q69-D73 PolarHBondContact O-N 3.17Å; D73-K77 VanDerWaalsContact O-CB 3.3Å; D73-K77 WeakPolarHBondContact O-CB 3.27Å; D73-K77 WeakPolarHBondContact O-CD 3.42Å; D73-K77 WeakPolarHBondContact O-CG 3.28Å; D73-K77 PolarHBondContact O-N 3.45Å
74W77.6Confident71.6Confident92 Ų92110 Ų11035%0.34854%0.54SS..Hα-helixtrans-72.1-34.5178.1-171.166.8000112.4P8 I70 L71 T72 K78P8-W74 HydrophobicContact CG-CB 4.27Å; P8-W74 HydrophobicContact CG-CG 4.07Å; I70-W74 WeakPolarHBondContact O-CB 3.37Å; I70-W74 PolarHBondContact O-N 3.32Å; L71-W74 PolarHBondContact O-N 3.11Å; T72-W74 VanDerWaalsContact C-N 3.25Å; T72-W74 PolarHBondContact O-N 3.37Å; W74-K78 VanDerWaalsContact CH2-NZ 3.32Å; W74-K78 PolarHBondContact O-N 3.44Å; W74-K78 VanDerWaalsContact O-N 3.13Å
75Q74Confident69.1Low141 Ų141115.1 Ų115.166%0.65956%0.559SS**Hα-helixtrans-66.9-43.4173.6-172.4173.412.900111.1L71 T72 K78L71-Q75 WeakPolarHBondContact O-CB 3.23Å; L71-Q75 PolarHBondContact O-N 3.22Å; T72-Q75 WeakPolarHBondContact O-CB 3.33Å; T72-Q75 PolarHBondContact O-N 3.45Å; T72-Q75 VanDerWaalsContact O-N 3.12Å; Q75-K78 PolarHBondContact O-N 2.92Å
76D71.7Confident66.8Low111 Ų111118.3 Ų118.359%0.59458%0.578SS**Hα-helixtrans-66.4-39.9177.6-68.9-22.9000111.6T72 K78 G79T72-D76 PolarHBondContact O-N 3.33Å; D76-K78 VanDerWaalsContact C-N 3.29Å; D76-K78 PolarHBondContact O-N 2.71Å; D76-G79 PolarHBondContact O-N 3.26Å
77K63.8Low64.3Low150 Ų150119 Ų11965%0.65259%0.591SS**Hα-helixtrans-69.2-22.3176.5-74.1170.5-176.9170.30113.7D73 G79 D80D73-K77 VanDerWaalsContact O-CB 3.3Å; D73-K77 WeakPolarHBondContact O-CB 3.27Å; D73-K77 WeakPolarHBondContact O-CD 3.42Å; D73-K77 WeakPolarHBondContact O-CG 3.28Å; D73-K77 PolarHBondContact O-N 3.45Å; K77-G79 PolarHBondContact O-N 3.41Å; K77-D80 PolarHBondContact O-N 2.96Å
78K58.2Low61.8Low134 Ų134129 Ų12958%0.58363%0.627SS**THydrogen-bonded Turntrans-69.6-16.2172.8-94.8-172.5174.6-179.10113.2W74 Q75 D76W74-K78 VanDerWaalsContact CH2-NZ 3.32Å; W74-K78 PolarHBondContact O-N 3.44Å; W74-K78 VanDerWaalsContact O-N 3.13Å; Q75-K78 PolarHBondContact O-N 2.92Å; D76-K78 VanDerWaalsContact C-N 3.29Å; D76-K78 PolarHBondContact O-N 2.71Å
79G50.5Low59.4Low70 Ų70132 Ų13272%0.72264%0.641SS**THydrogen-bonded Turntrans-80-19.1175.200000114.6D76 K77D76-G79 PolarHBondContact O-N 3.26Å; K77-G79 PolarHBondContact O-N 3.41Å
80D46.5Very low56.9Low100 Ų100136.1 Ų136.154%0.53566%0.66SS.*  trans-115.184.5-168.7-149.9-1.3000111.8K77 R82K77-D80 PolarHBondContact O-N 2.96Å; D80-R82 PolarHBondContact O-N 3.42Å
81R49.3Very low54.6Low248 Ų248141.1 Ų141.194%0.93668%0.682SS**THydrogen-bonded Turntrans-6525.8-179.1-81.2-172.6177.5-172.10.5114.9
82R48.5Very low52.4Low211 Ų211145 Ų14580%0.79670%0.702SS**THydrogen-bonded Turntrans-126.43.7-172-63.3-170.5-153.5-1768.3117.6D80D80-R82 PolarHBondContact O-N 3.42Å
83F43.2Very low50Low177 Ų177146 Ų14678%0.77672%0.724SS**  trans-129.270.4177.7-81.4-85.6000113.8
84L45.2Very low47.9Very low176 Ų176147.5 Ų147.592%0.92175%0.745SS**  trans-108.773.5160.9-75.2167.9000108.8
85K39.7Very low46.3Very low190 Ų190149 Ų14983%0.82677%0.767SS**  trans-172.297164.9-112.1172.7-176.9179.50110.1
86L44.3Very low44.8Very low173 Ų173148.2 Ų148.291%0.90677%0.774SS**  trans162.983.2158.3-89.7153.2000104.4
87G36.6Very low43.3Very low67 Ų67152 Ų15269%0.69179%0.785SS**  67.57354.200000107.7
88R36.2Very low42.2Very low230 Ų230154.1 Ų154.187%0.86880%0.797SS**  66.3131.4100.8-150.8-179.2-148.7-176.85112.1
89D38.9Very low41.2Very low144 Ų144151 Ų15177%0.7780%0.803SS**  trans90.296.1172.4-51.3-54.8000116.9
90H36.8Very low40.7Very low193 Ų193157.7 Ų157.789%0.89481%0.812SS**  -167.8115.3108.9-146.151.3000112
91E37Very low40.8Very low157 Ų157159.2 Ų159.273%0.73483%0.828SS**  trans-70149.2166.1-81-169.3114.300112.1
92L36Very low40.7Very low159 Ų159157.2 Ų157.283%0.83283%0.826SS**  trans45.7103.7139.4-55.1172.4000118.7
93G33.6Very low40.3Very low80 Ų80157.2 Ų157.283%0.82583%0.831SS**  trans-172123162.700000113.7
94A38.6Very low40.6Very low94 Ų94157.9 Ų157.978%0.77784%0.837SS**PPolyproline II helixtrans-56.2158.2-174.100000116.1
95P43.9Very low40.4Very low124 Ų124157 Ų15781%0.80583%0.826SS**PPolyproline II helixtrans-81.3132.9-178.632.9-31.3000111.2
96P43.5Very low40.9Very low125 Ų125156.2 Ų156.281%0.81283%0.829SS**PPolyproline II helixtrans-84.8138.3170.232.3-29.1000111.2
97K39.1Very low40.7Very low191 Ų191155.1 Ų155.183%0.8382%0.82SS**PPolyproline II helixtrans-73159.7169.2-69.5177.3174.31750111.4
98H40.7Very low41Very low193 Ų193155.5 Ų155.589%0.89482%0.824SS**  trans94.2136.1172.1-65.9-83000115.3
99G36.9Very low41.3Very low69 Ų69154.3 Ų154.371%0.71183%0.825SS**  cis-162.5168.11400000113.5
100K41.3Very low41.3Very low210 Ų210152.1 Ų152.191%0.91383%0.827SS**PPolyproline II helixtrans-65.6148.6179.3-59.6171.3177.6176.70111.8
101P47.1Very low41.6Very low133 Ų133146.5 Ų146.586%0.86482%0.821SS**PPolyproline II helixtrans-98.3163.2148.517.90.5000111.8
102K47.3Very low41.9Very low205 Ų205148.5 Ų148.589%0.89183%0.83SS**PPolyproline II helixtrans-99143.6-149.9-157.6170.9-179.81770110.5
103K40.5Very low42.1Very low211 Ų211144.1 Ų144.192%0.91782%0.824SS**PPolyproline II helixtrans-49.3131.7168.9-101.3177.4170175.20111.5
104Q49.9Very low42.8Very low191 Ų191147 Ų14789%0.89383%0.828SS**  trans-118.6121.5157.3-155.1168.9-800108.2
105K40.2Very low43Very low158 Ų158145.9 Ų145.969%0.68783%0.825SS**  trans-94.1127.5-176.3-175.2-173-178-158.40107.3E107K105-E107 WeakPolarHBondContact CE-OE1 3.44Å; K105-E107 HydrophobicContact CG-CG 4.43Å; K105-E107 IonicContact NZ-OE1 2.7Å; K105-E107 PolarHBondContact NZ-OE1 2.9Å
106L51.3Low43.1Very low173 Ų173146.2 Ų146.291%0.90683%0.828SS**  trans-127.2123.4158.6-137.492.2000108.1
107E39.8Very low43.1Very low150 Ų150143.8 Ų143.870%0.70183%0.826SS**  trans-91.8155.3176.9-65.8-166.615500110.9K105K105-E107 WeakPolarHBondContact CE-OE1 3.44Å; K105-E107 HydrophobicContact CG-CG 4.43Å; K105-E107 IonicContact NZ-OE1 2.7Å; K105-E107 PolarHBondContact NZ-OE1 2.9Å
108G42.3Very low43.7Very low75 Ų75141.1 Ų141.177%0.77383%0.828SS**  trans147.282.6171.300000109.8
109K42.9Very low43.5Very low205 Ų205135.7 Ų135.789%0.89182%0.824SS**  102.8119.256.3-173.7172.4-175.5179.70110.9
110A39.7Very low43.8Very low98 Ų98144 Ų14481%0.8183%0.834SS**  trans81.5125.8151.400000120.3
111G43Very low44.3Very low76 Ų76139.6 Ų139.678%0.78483%0.827SS**  trans167.664164.800000114.4
112H42.1Very low44.1Very low198 Ų198143.3 Ų143.392%0.91783%0.829SS**  trans-41148.2160-69.8-83.2000111.9
113G41.1Very low44.3Very low68 Ų68139.1 Ų139.170%0.70183%0.826SS**  cis170.5-163.836.900000110.6
114P48.6Very low44.4Very low139 Ų139138.5 Ų138.590%0.90382%0.823SS**  -120.4168.1-12640-28.7000116.1
115G40.9Very low44.1Very low71 Ų71136.8 Ų136.873%0.73282%0.82SS**  trans173.6150.616100000116
116P47.7Very low44.4Very low131 Ų131136.7 Ų136.785%0.85183%0.827SS**  trans-129.6153.1-138.936.7-19000117.6
117G42.2Very low44.1Very low75 Ų75136.7 Ų136.777%0.77382%0.822SS**  trans66.6170.8148.100000118.3
118P51.3Low44.5Very low134 Ų134135.1 Ų135.187%0.8783%0.825SS**  cis-119.3157.716.138.3-23000112.8
119G37.6Very low44.3Very low80 Ų80141.1 Ų141.183%0.82583%0.83SS**  cis102.488.64200000110.3
120R43.9Very low44.6Very low244 Ų244138.2 Ų138.292%0.92182%0.822SS**  trans-128.6134.2164.8-165.2173.7-177.2-168.80.8110.1
121P50.2Low44.6Very low116 Ų116142 Ų14275%0.75382%0.823SS**  trans-88.9143.7-162.211.36.5000113S123P121-S123 PolarHBondContact O-N 3.38Å
122K43.2Very low44.8Very low211 Ų211146.5 Ų146.592%0.91782%0.824SS**  trans-75.4113165.2-68.9-176.2-174.7177.90109.5K124K122-K124 PolarHBondContact O-N 2.89Å
123S53.1Low44.7Very low117 Ų117147.4 Ų147.482%0.81882%0.821SS**  trans-73.1116.9166.4-69.30000109.9P121 N125P121-S123 PolarHBondContact O-N 3.38Å; S123-N125 PolarHBondContact O-N 2.91Å
124K41Very low45Very low198 Ų198152.8 Ų152.886%0.86183%0.827SS**  trans-66116.8163.5-73.1176176.3176.90108K122K122-K124 PolarHBondContact O-N 2.89Å
125N44.6Very low45Very low155 Ų155154 Ų15483%0.82982%0.819SS**  trans-105.1117160.5-151.612.9000107.5S123 Q127S123-N125 PolarHBondContact O-N 2.91Å; N125-Q127 PolarHBondContact O-N 2.78Å
126L45.5Very low45.5Very low157 Ų157156.7 Ų156.782%0.82282%0.822SS**  trans-68.6116171.9-8082.9000107.4
127Q45.6Very low45.6Very low172 Ų172157.1 Ų157.180%0.80482%0.817SS**  trans-97.1142.5153.5-81.8-149.7-7.600109.5N125N125-Q127 PolarHBondContact O-N 2.78Å
128P48.4Very low46Very low118 Ų118160.4 Ų160.477%0.76682%0.816SS**  trans-66135.7178.44.67.6000109.9I130P128-I130 PolarHBondContact O-N 3.21Å
129K37.3Very low46.2Very low201 Ų201159.9 Ų159.987%0.87481%0.813SS**  trans-63.598.8178.3-168.2167.2-177.5174.30109.8
130I49.5Very low47.2Very low144 Ų144163 Ų16374%0.73881%0.809SS**  trans-77.7118.3156.6-77.1170.5000106.2P128 E132P128-I130 PolarHBondContact O-N 3.21Å; I130-E132 HydrophobicContact CG2-CG 4.01Å; I130-E132 PolarHBondContact O-N 3.02Å
131Q40.6Very low48Very low176 Ų176158.8 Ų158.882%0.82281%0.805SS**  trans-83.685.5178.5-168.517210.200107
132E45.9Very low48.4Very low172 Ų172157.9 Ų157.980%0.80480%0.797SS**  trans-80126167.9-87.8171.3-170.500109.1I130 E134I130-E132 HydrophobicContact CG2-CG 4.01Å; I130-E132 PolarHBondContact O-N 3.02Å; E132-E134 PolarHBondContact O-N 3.44Å
133Y41.1Very low49Very low216 Ų216153 Ų15385%0.84779%0.787SS**  trans-63.7115-179-130-102.1000108.9F135Y133-F135 PolarHBondContact O-N 3.06Å; Y133-F135 VanDerWaalsContact O-N 3.14Å
134E47.7Very low49.4Very low181 Ų181158.8 Ų158.885%0.84679%0.791SS**  trans-74.198.1174.4-165.1170.4-158.100108.1E132E132-E134 PolarHBondContact O-N 3.44Å
135F47.6Very low50.4Low164 Ų164156.6 Ų156.672%0.71979%0.787SS**  trans-75.2118.1159-120.9-98.2000106.3Y133 D137Y133-F135 PolarHBondContact O-N 3.06Å; Y133-F135 VanDerWaalsContact O-N 3.14Å; F135-D137 PolarHBondContact O-N 3.24Å
136T51Low51.5Low129 Ų129154.7 Ų154.779%0.79178%0.783SS**  trans-66.283165.834.20000108.4
137D50.9Low52.7Low140 Ų140156.8 Ų156.875%0.74979%0.786SS**  trans-73.6124.3162.9-83.2-37.2000108.1F135F135-D137 PolarHBondContact O-N 3.24Å
138D50.3Low54.3Low143 Ų143154 Ų15477%0.76578%0.776SS**  trans-45.5144.6175.2-79.7-53000111.4I140D138-I140 VanDerWaalsContact C-N 3.31Å; D138-I140 PolarHBondContact O-N 3.43Å
139P55.8Low56.1Low124 Ų124151.4 Ų151.481%0.80576%0.756SS**  trans-66.892.7179.126.8-30.6000109.4D141P139-D141 PolarHBondContact O-N 3.34Å
140I58Low58.4Low144 Ų144144.6 Ų144.674%0.73874%0.737SS**  trans-63.9107.2160.5-57.6177.7000105.1D138 V142D138-I140 VanDerWaalsContact C-N 3.31Å; D138-I140 PolarHBondContact O-N 3.43Å; I140-V142 HydrophobicContact CB-CG2 4.2Å; I140-V142 HydrophobicContact CG2-CG2 3.54Å; I140-V142 PolarHBondContact O-N 2.8Å
141D60.9Low60.3Low156 Ų156140.8 Ų140.883%0.83472%0.722SS**  trans-67.269.8171.2-164.115.4000108.6P139 P143P139-D141 PolarHBondContact O-N 3.34Å; D141-P143 VanDerWaalsContact O-CD 3.31Å; D141-P143 WeakPolarHBondContact O-CD 3.33Å
142V58.9Low62.7Low97 Ų97137.5 Ų137.559%0.58871%0.71SS**  trans-71.2117.4169.8-175.80000105.7I140 R144I140-V142 HydrophobicContact CB-CG2 4.2Å; I140-V142 HydrophobicContact CG2-CG2 3.54Å; I140-V142 PolarHBondContact O-N 2.8Å; V142-R144 PolarHBondContact O-N 3.34Å
143P55.8Low64.9Low108 Ų108137.7 Ų137.770%0.70170%0.703SS**  trans-52.1112177.4-25.534.3000109D141 I145D141-P143 VanDerWaalsContact O-CD 3.31Å; D141-P143 WeakPolarHBondContact O-CD 3.33Å; P143-I145 VanDerWaalsContact C-N 3.34Å; P143-I145 PolarHBondContact O-N 3.18Å
144R61.8Low67.4Low239 Ų239132.9 Ų132.990%0.90269%0.687SS**  trans-60.4102.3174.4-78.3-175.6-179.9177.11.7107V142V142-R144 PolarHBondContact O-N 3.34Å
145I60.4Low69.7Low152 Ų152131.8 Ų131.878%0.77968%0.675SS**  trans-46.9125170-58.5167000106.1P143 K147P143-I145 VanDerWaalsContact C-N 3.34Å; P143-I145 PolarHBondContact O-N 3.18Å; I145-K147 PolarHBondContact O-N 2.67Å
146P68.4Low71.9Confident116 Ų116127.4 Ų127.475%0.75367%0.669SS**  trans-51.2114.3177.8-25.333.1000108N148P146-N148 PolarHBondContact O-N 3.26Å
147K71.5Confident74.1Confident200 Ų200124.5 Ų124.587%0.8765%0.654SS**  trans-54.6114.9179.5-72.5-174.5176.6-175.20106.9I145 D149I145-K147 PolarHBondContact O-N 2.67Å; K147-D149 VanDerWaalsContact C-N 3.27Å; K147-D149 PolarHBondContact O-N 3.28Å
148N79Confident76.3Confident114 Ų114119.5 Ų119.561%0.6163%0.629SS**  trans-67.292.5178-177.39.5000108.2P146 A150P146-N148 PolarHBondContact O-N 3.26Å; N148-A150 WeakPolarHBondContact OD1-CB 3.24Å; N148-A150 PolarHBondContact OD1-N 3.11Å; N148-A150 VanDerWaalsContact OD1-N 3.1Å
149D84.8Confident78.3Confident63 Ų63118.6 Ų118.634%0.33762%0.62SS.*  trans-85.72.8177.4-166.645.6000111.4K147 N152 R153K147-D149 VanDerWaalsContact C-N 3.27Å; K147-D149 PolarHBondContact O-N 3.28Å; D149-N152 PolarHBondContact O-N 3.43Å; D149-N152 VanDerWaalsContact OD1-CB 3.29Å; D149-N152 WeakPolarHBondContact OD1-CB 3.14Å; D149-N152 PolarHBondContact OD1-ND2 3.41Å; D149-R153 WeakPolarHBondContact O-CB 3.48Å; D149-R153 WeakPolarHBondContact O-CG 3.22Å; D149-R153 PolarHBondContact O-N 2.84Å; D149-R153 WeakPolarHBondContact OD2-CG 3.37Å; D149-R153 IonicContact OD2-CZ 3.8Å; D149-R153 IonicContact OD2-NE 2.9Å; D149-R153 PolarHBondContact OD2-NE 3.13Å; D149-R153 IonicContact OD2-NH2 2.72Å
150A86.5Confident80.2Confident58 Ų58117.1 Ų117.148%0.47961%0.61SS.*Hα-helixtrans-58.6-42.8-178.200000112.9N148 N152 R153 F154N148-A150 WeakPolarHBondContact OD1-CB 3.24Å; N148-A150 PolarHBondContact OD1-N 3.11Å; N148-A150 VanDerWaalsContact OD1-N 3.1Å; A150-N152 PolarHBondContact O-N 3.37Å; A150-R153 PolarHBondContact O-N 3.32Å; A150-F154 WeakPolarHBondContact O-CB 3.49Å; A150-F154 PolarHBondContact O-N 3.02Å
151P89.8Confident81.9Confident65 Ų65120 Ų12042%0.42261%0.613SS.*Hα-helixtrans-61.7-43.3175.4-23.835.3000112.8F154 W155P151-F154 PolarHBondContact O-N 3.38Å; P151-W155 PolarHBondContact O-N 2.88Å
152N90.1Very high83.4Confident106 Ų106117 Ų11757%0.56760%0.604SS**Hα-helixtrans-66.1-41.6178.8-63.6-32.1000111.7D149 A150 W155 A156D149-N152 PolarHBondContact O-N 3.43Å; D149-N152 VanDerWaalsContact OD1-CB 3.29Å; D149-N152 WeakPolarHBondContact OD1-CB 3.14Å; D149-N152 PolarHBondContact OD1-ND2 3.41Å; A150-N152 PolarHBondContact O-N 3.37Å; N152-W155 PolarHBondContact O-N 2.6Å; N152-A156 VanDerWaalsContact O-CB 3.23Å; N152-A156 WeakPolarHBondContact O-CB 3.35Å; N152-A156 PolarHBondContact O-N 3.31Å
153R93.1Very high85.1Confident176 Ų176115 Ų11566%0.66460%0.597SS**Hα-helixtrans-63.8-41.6176.2-72.2176.6-175.4-164.1-2.5111.9D149 A150 A156 S157D149-R153 WeakPolarHBondContact O-CB 3.48Å; D149-R153 WeakPolarHBondContact O-CG 3.22Å; D149-R153 PolarHBondContact O-N 2.84Å; D149-R153 WeakPolarHBondContact OD2-CG 3.37Å; D149-R153 IonicContact OD2-CZ 3.8Å; D149-R153 IonicContact OD2-NE 2.9Å; D149-R153 PolarHBondContact OD2-NE 3.13Å; D149-R153 IonicContact OD2-NH2 2.72Å; A150-R153 PolarHBondContact O-N 3.32Å; R153-A156 PolarHBondContact O-N 3.17Å; R153-S157 WeakPolarHBondContact O-CB 3.4Å; R153-S157 PolarHBondContact O-N 2.73Å
154F94Very high87Confident115 Ų115113.3 Ų113.350%0.50458%0.582SS.*Hα-helixtrans-59.5-54.6174.8172.7-98.3000110.4A150 P151 A156 S157 V158A150-F154 WeakPolarHBondContact O-CB 3.49Å; A150-F154 PolarHBondContact O-N 3.02Å; P151-F154 PolarHBondContact O-N 3.38Å; F154-A156 VanDerWaalsContact C-N 3.33Å; F154-A156 PolarHBondContact O-N 2.86Å; F154-S157 WeakPolarHBondContact O-CB 3.4Å; F154-S157 PolarHBondContact O-N 3.1Å; F154-S157 PolarHBondContact O-OG 3.38Å; F154-V158 HydrophobicContact CD1-CG2 4.41Å; F154-V158 HydrophobicContact CD2-CG2 4.36Å; F154-V158 HydrophobicContact CE1-CG2 3.99Å; F154-V158 HydrophobicContact CE2-CG2 3.94Å; F154-V158 HydrophobicContact CZ-CG2 3.74Å; F154-V158 WeakPolarHBondContact O-CG2 3.26Å; F154-V158 PolarHBondContact O-N 2.89Å
155W95.2Very high88.6Confident159 Ų159104.1 Ų104.160%0.60255%0.55SS**Hα-helixtrans-62.6-38.7179.7-71.5119.6000112.7P151 N152 S157 V158 E159P151-W155 PolarHBondContact O-N 2.88Å; N152-W155 PolarHBondContact O-N 2.6Å; W155-S157 VanDerWaalsContact C-N 3.26Å; W155-S157 PolarHBondContact O-N 3.11Å; W155-V158 HydrophobicContact CE3-CB 4.41Å; W155-V158 HydrophobicContact CE3-CG1 4.4Å; W155-V158 HydrophobicContact CZ3-CG1 4.41Å; W155-V158 PolarHBondContact O-N 2.89Å; W155-V158 VanDerWaalsContact O-N 3.14Å; W155-E159 WeakPolarHBondContact O-CB 3.5Å; W155-E159 PolarHBondContact O-N 3.34Å
156A94.4Very high90.3Very high71 Ų7199.7 Ų99.759%0.58753%0.53SS*.Hα-helixtrans-62.5-31.3173.500000113.2N152 R153 F154N152-A156 VanDerWaalsContact O-CB 3.23Å; N152-A156 WeakPolarHBondContact O-CB 3.35Å; N152-A156 PolarHBondContact O-N 3.31Å; R153-A156 PolarHBondContact O-N 3.17Å; F154-A156 VanDerWaalsContact C-N 3.33Å; F154-A156 PolarHBondContact O-N 2.86Å
157S95.6Very high91.5Very high69 Ų6998.6 Ų98.648%0.48353%0.526SS..Hα-helixtrans-77.7-27.1174.774.40000113.4R153 F154 W155 Y161R153-S157 WeakPolarHBondContact O-CB 3.4Å; R153-S157 PolarHBondContact O-N 2.73Å; F154-S157 WeakPolarHBondContact O-CB 3.4Å; F154-S157 PolarHBondContact O-N 3.1Å; F154-S157 PolarHBondContact O-OG 3.38Å; W155-S157 VanDerWaalsContact C-N 3.26Å; W155-S157 PolarHBondContact O-N 3.11Å; S157-Y161 WeakPolarHBondContact O-CD2 3.5Å; S157-Y161 WeakPolarHBondContact O-CE2 3.26Å
158V97Very high92.7Very high35 Ų3595.5 Ų95.521%0.21251%0.514CS..Hα-helixtrans-84.5-32.6179172.90000111.6F154 W155 P160 Y161 C162F154-V158 HydrophobicContact CD1-CG2 4.41Å; F154-V158 HydrophobicContact CD2-CG2 4.36Å; F154-V158 HydrophobicContact CE1-CG2 3.99Å; F154-V158 HydrophobicContact CE2-CG2 3.94Å; F154-V158 HydrophobicContact CZ-CG2 3.74Å; F154-V158 WeakPolarHBondContact O-CG2 3.26Å; F154-V158 PolarHBondContact O-N 2.89Å; W155-V158 HydrophobicContact CE3-CB 4.41Å; W155-V158 HydrophobicContact CE3-CG1 4.4Å; W155-V158 HydrophobicContact CZ3-CG1 4.41Å; W155-V158 PolarHBondContact O-N 2.89Å; W155-V158 VanDerWaalsContact O-N 3.14Å; V158-P160 VanDerWaalsContact C-N 3.34Å; V158-P160 VanDerWaalsContact O-N 3.15Å; V158-Y161 WeakPolarHBondContact O-CB 3.41Å; V158-Y161 PolarHBondContact O-N 2.67Å; V158-C162 VanDerWaalsContact CG1-SG 3.6Å; V158-C162 PolarHBondContact O-N 2.85Å
159E94.3Very high93.5Very high123 Ų12394.3 Ų94.358%0.57551%0.505SS*.Hα-helixtrans-46.6-45.2-176.3-170.571.2-173.200113.8W155 Y161 C162 A163W155-E159 WeakPolarHBondContact O-CB 3.5Å; W155-E159 PolarHBondContact O-N 3.34Å; E159-Y161 VanDerWaalsContact C-N 3.25Å; E159-Y161 PolarHBondContact O-N 2.97Å; E159-C162 CarbonylContact O-C 3.58Å; E159-C162 PolarHBondContact O-N 3.35Å; E159-C162 VanDerWaalsContact O-N 3.12Å; E159-A163 WeakPolarHBondContact O-CB 3.24Å; E159-A163 PolarHBondContact O-N 3.11Å
160P94Very high94Very high93 Ų9392 Ų9260%0.60449%0.493SS*.Hα-helixtrans-63.8-27.4179.3-21.334.5000114.2V158V158-P160 VanDerWaalsContact C-N 3.34Å; V158-P160 VanDerWaalsContact O-N 3.15Å
161Y93.7Very high94.5Very high206 Ų20696.8 Ų96.881%0.80850%0.499SS*.Hα-helixtrans-83.7-17.8178.4-59.8-83.3000112.7S157 V158 E159S157-Y161 WeakPolarHBondContact O-CD2 3.5Å; S157-Y161 WeakPolarHBondContact O-CE2 3.26Å; V158-Y161 WeakPolarHBondContact O-CB 3.41Å; V158-Y161 PolarHBondContact O-N 2.67Å; E159-Y161 VanDerWaalsContact C-N 3.25Å; E159-Y161 PolarHBondContact O-N 2.97Å
162C93.1Very high94.8Very high93 Ų9396.8 Ų96.863%0.62850%0.498SS*.Hα-helixtrans-105.2-5.8177.2-62.40000113.2V158 E159V158-C162 VanDerWaalsContact CG1-SG 3.6Å; V158-C162 PolarHBondContact O-N 2.85Å; E159-C162 CarbonylContact O-C 3.58Å; E159-C162 PolarHBondContact O-N 3.35Å; E159-C162 VanDerWaalsContact O-N 3.12Å
163A94.1Very high95.1Very high54 Ų5492.9 Ų92.945%0.44648%0.477SS..SBendtrans-66157.2178.400000112.1E159 I165E159-A163 WeakPolarHBondContact O-CB 3.24Å; E159-A163 PolarHBondContact O-N 3.11Å; A163-I165 PolarHBondContact O-N 2.99Å
164D95.8Very high95.3Very high73 Ų7388.3 Ų88.339%0.3946%0.463SS..PPolyproline II helixtrans-64.4127.9171.7-77.6-32.6000109.6T166 Q378 R381D164-T166 PolarHBondContact O-N 3.43Å; D164-Q378 HydrophobicContact CB-CG 4.25Å; D164-Q378 WeakPolarHBondContact OD1-CG 3.49Å; D164-R381 IonicContact OD1-NH2 3.02Å; D164-R381 PolarHBondContact OD1-NH2 2.67Å
165I95.9Very high95.3Very high46 Ų4688.5 Ų88.524%0.23647%0.465CS..PPolyproline II helixtrans-48.2124.6173.3-57.3-179.3000111.8A163 E169 V170 A371 E374 V375 Q378A163-I165 PolarHBondContact O-N 2.99Å; I165-E169 WeakPolarHBondContact CA-OE2 3.35Å; I165-E169 HydrophobicContact CG2-CB 4.33Å; I165-V170 HydrophobicContact CG2-CG2 3.95Å; I165-A371 HydrophobicContact CD1-CB 4.16Å; I165-A371 HydrophobicContact CG2-CB 4.47Å; I165-E374 HydrophobicContact CD1-CB 3.83Å; I165-E374 HydrophobicContact CD1-CG 3.71Å; I165-E374 HydrophobicContact CG1-CG 4.31Å; I165-V375 HydrophobicContact CB-CG2 4.17Å; I165-V375 HydrophobicContact CG2-CG2 3.95Å; I165-Q378 PolarHBondContact O-OE1 2.74Å; I165-Q378 VanDerWaalsContact O-OE1 3.08Å
166T95.5Very high95.3Very high59 Ų5985.2 Ų85.236%0.36246%0.459SS..PPolyproline II helixtrans-91157179.869.90000112.5D164 E168 E169 V170D164-T166 PolarHBondContact O-N 3.43Å; T166-E168 PolarHBondContact O-N 2.75Å; T166-E169 WeakPolarHBondContact CG2-OE1 3.45Å; T166-E169 PolarHBondContact N-OE2 2.87Å; T166-E169 PolarHBondContact O-N 3.45Å; T166-E169 WeakPolarHBondContact OG1-CG 3.46Å; T166-E169 PolarHBondContact OG1-N 3.02Å; T166-E169 PolarHBondContact OG1-OE1 3.06Å; T166-V170 PolarHBondContact O-N 3.25Å
167S94.3Very high95.2Very high93 Ų9382.9 Ų82.965%0.6544%0.437SS*.Hα-helixtrans-61.1-24.1173.766.50000113.6R171S167-R171 WeakPolarHBondContact O-CB 3.27Å; S167-R171 PolarHBondContact O-N 3.11Å
168E95.8Very high95Very high135 Ų13586.1 Ų86.163%0.63144%0.442SS*.Hα-helixtrans-72.5-40.1176.2-176.9173.4-174.100111.5T166 R171 T172T166-E168 PolarHBondContact O-N 2.75Å; E168-R171 WeakPolarHBondContact O-CB 3.11Å; E168-R171 PolarHBondContact O-N 3.48Å; E168-T172 WeakPolarHBondContact O-CB 3.35Å; E168-T172 PolarHBondContact O-N 2.8Å; E168-T172 PolarHBondContact O-OG1 3.14Å
169E95.6Very high94.3Very high88 Ų8888.4 Ų88.441%0.41146%0.458SS..Hα-helixtrans-64.7-42.1174.7-70.8145.9-146.800111.5I165 T166 R171 T172 L173I165-E169 WeakPolarHBondContact CA-OE2 3.35Å; I165-E169 HydrophobicContact CG2-CB 4.33Å; T166-E169 WeakPolarHBondContact CG2-OE1 3.45Å; T166-E169 PolarHBondContact N-OE2 2.87Å; T166-E169 PolarHBondContact O-N 3.45Å; T166-E169 WeakPolarHBondContact OG1-CG 3.46Å; T166-E169 PolarHBondContact OG1-N 3.02Å; T166-E169 PolarHBondContact OG1-OE1 3.06Å; E169-R171 VanDerWaalsContact C-N 3.33Å; E169-R171 PolarHBondContact O-N 3.41Å; E169-T172 WeakPolarHBondContact O-CB 3.47Å; E169-T172 PolarHBondContact O-N 3.49Å; E169-L173 WeakPolarHBondContact O-CG 3.08Å; E169-L173 PolarHBondContact O-N 3.4Å
170V97.1Very high93.7Very high16 Ų1686.4 Ų86.410%0.09746%0.455CS..Hα-helixtrans-60.2-45.4173.2177.90000110.5I165 T166 T172 L173 E174 L368 A371 K372 V375I165-V170 HydrophobicContact CG2-CG2 3.95Å; T166-V170 PolarHBondContact O-N 3.25Å; V170-T172 VanDerWaalsContact C-N 3.31Å; V170-T172 PolarHBondContact O-N 2.98Å; V170-L173 PolarHBondContact O-N 2.86Å; V170-E174 WeakPolarHBondContact O-CG 3.4Å; V170-E174 PolarHBondContact O-N 3.29Å; V170-L368 HydrophobicContact CG1-CD1 3.87Å; V170-A371 HydrophobicContact CG2-CB 4.3Å; V170-K372 HydrophobicContact CG1-CG 4.23Å; V170-V375 HydrophobicContact CG2-CG2 4.01Å
171R96.9Very high93Very high157 Ų15791.1 Ų91.159%0.59247%0.469SS*.Hα-helixtrans-62-39176.5-172.8-174.5-62.9154.72.9112S167 E168 E169 L173 E174 E175S167-R171 WeakPolarHBondContact O-CB 3.27Å; S167-R171 PolarHBondContact O-N 3.11Å; E168-R171 WeakPolarHBondContact O-CB 3.11Å; E168-R171 PolarHBondContact O-N 3.48Å; E169-R171 VanDerWaalsContact C-N 3.33Å; E169-R171 PolarHBondContact O-N 3.41Å; R171-L173 VanDerWaalsContact C-N 3.34Å; R171-L173 PolarHBondContact O-N 3.46Å; R171-E174 WeakPolarHBondContact O-CB 3.31Å; R171-E174 PolarHBondContact O-N 3.5Å; R171-E175 WeakPolarHBondContact O-CB 3.3Å; R171-E175 PolarHBondContact O-N 3.38Å
172T96.4Very high92.3Very high65 Ų6585.8 Ų85.840%0.39946%0.455SS..Hα-helixtrans-61.6-43.7176.4-58.20000110.6E168 E169 V170 E174 E175 L176E168-T172 WeakPolarHBondContact O-CB 3.35Å; E168-T172 PolarHBondContact O-N 2.8Å; E168-T172 PolarHBondContact O-OG1 3.14Å; E169-T172 WeakPolarHBondContact O-CB 3.47Å; E169-T172 PolarHBondContact O-N 3.49Å; V170-T172 VanDerWaalsContact C-N 3.31Å; V170-T172 PolarHBondContact O-N 2.98Å; T172-E174 PolarHBondContact O-N 2.98Å; T172-E175 PolarHBondContact O-N 2.95Å; T172-L176 HydrophobicContact CG2-CD1 4.22Å; T172-L176 HydrophobicContact CG2-CG 4.5Å; T172-L176 WeakPolarHBondContact O-CB 3.19Å; T172-L176 VanDerWaalsContact O-CG 3.27Å; T172-L176 WeakPolarHBondContact O-CG 3.42Å; T172-L176 PolarHBondContact O-N 2.87Å
173L95.9Very high91.6Very high25 Ų2584.4 Ų84.413%0.13144%0.439CS..Hα-helixtrans-63.5-39.5174.6-70173.9000112.6E169 V170 R171 E175 L176 L177 L367 L368 A371E169-L173 WeakPolarHBondContact O-CG 3.08Å; E169-L173 PolarHBondContact O-N 3.4Å; V170-L173 PolarHBondContact O-N 2.86Å; R171-L173 VanDerWaalsContact C-N 3.34Å; R171-L173 PolarHBondContact O-N 3.46Å; L173-E175 VanDerWaalsContact C-N 3.34Å; L173-L176 PolarHBondContact O-N 3.43Å; L173-L177 WeakPolarHBondContact O-CG 3.32Å; L173-L177 PolarHBondContact O-N 3.44Å; L173-L367 HydrophobicContact CD1-CD2 4.29Å; L173-L367 HydrophobicContact CD1-CG 3.95Å; L173-L367 HydrophobicContact CD2-CD2 3.59Å; L173-L367 HydrophobicContact CD2-CG 4.1Å; L173-L368 HydrophobicContact CB-CD1 4.02Å; L173-A371 HydrophobicContact CD1-CB 3.98Å
174E96.4Very high91.1Very high80 Ų8085 Ų8537%0.37444%0.444SS..Hα-helixtrans-64.2-38.2174.6-69.9177.8159.300112.1V170 R171 T172 L177 L368 K372V170-E174 WeakPolarHBondContact O-CG 3.4Å; V170-E174 PolarHBondContact O-N 3.29Å; R171-E174 WeakPolarHBondContact O-CB 3.31Å; R171-E174 PolarHBondContact O-N 3.5Å; T172-E174 PolarHBondContact O-N 2.98Å; E174-L177 PolarHBondContact O-N 3.49Å; E174-L368 HydrophobicContact CG-CD1 3.73Å; E174-L368 HydrophobicContact CG-CD2 3.84Å; E174-L368 HydrophobicContact CG-CG 4.47Å; E174-K372 VanDerWaalsContact OE1-CE 3.24Å; E174-K372 WeakPolarHBondContact OE1-CE 3.47Å; E174-K372 IonicContact OE1-NZ 3.19Å; E174-K372 PolarHBondContact OE1-NZ 3.11Å
175E95.3Very high90.6Very high118 Ų11886.8 Ų86.855%0.55145%0.45SS*.Hα-helixtrans-68.2-43.6175.3-176.3166.5-157.400112.1R171 T172 L173 L177 K178R171-E175 WeakPolarHBondContact O-CB 3.3Å; R171-E175 PolarHBondContact O-N 3.38Å; T172-E175 PolarHBondContact O-N 2.95Å; L173-E175 VanDerWaalsContact C-N 3.34Å; E175-L177 PolarHBondContact O-N 3.47Å; E175-L177 VanDerWaalsContact O-N 3.13Å; E175-K178 VanDerWaalsContact O-CB 3.32Å; E175-K178 WeakPolarHBondContact O-CB 3.32Å; E175-K178 PolarHBondContact O-N 3.35Å
176L94.2Very high89.9Confident91 Ų9190.3 Ų90.348%0.47647%0.465SS..Hα-helixtrans-64.5-15.4176.5-72.6174.4000114.2T172 L173 K364T172-L176 HydrophobicContact CG2-CD1 4.22Å; T172-L176 HydrophobicContact CG2-CG 4.5Å; T172-L176 WeakPolarHBondContact O-CB 3.19Å; T172-L176 VanDerWaalsContact O-CG 3.27Å; T172-L176 WeakPolarHBondContact O-CG 3.42Å; T172-L176 PolarHBondContact O-N 2.87Å; L173-L176 PolarHBondContact O-N 3.43Å; L176-K364 HydrophobicContact CB-CD 4.29Å; L176-K364 PolarHBondContact O-NZ 3.42Å
177L93.2Very high89.6Confident21 Ų2189.6 Ų89.611%0.1146%0.456CS..THydrogen-bonded Turntrans-89.2-13.2174.4-83.1166.9000113.3L173 E174 E175 R361 K364 L368L173-L177 WeakPolarHBondContact O-CG 3.32Å; L173-L177 PolarHBondContact O-N 3.44Å; E174-L177 PolarHBondContact O-N 3.49Å; E175-L177 PolarHBondContact O-N 3.47Å; E175-L177 VanDerWaalsContact O-N 3.13Å; L177-R361 HydrophobicContact CD2-CG 4.07Å; L177-K364 HydrophobicContact CD2-CB 3.59Å; L177-K364 HydrophobicContact CD2-CD 4.49Å; L177-K364 HydrophobicContact CG-CB 3.91Å; L177-L368 HydrophobicContact CD1-CB 4.16Å; L177-L368 HydrophobicContact CD1-CD2 3.57Å; L177-L368 HydrophobicContact CD1-CG 4.48Å
178K91Very high89.3Confident137 Ų13791.3 Ų91.360%0.59645%0.452SS*.SBendtrans-66.4132.7174.3-64.8177.3-1771710108.8E175E175-K178 VanDerWaalsContact O-CB 3.32Å; E175-K178 WeakPolarHBondContact O-CB 3.32Å; E175-K178 PolarHBondContact O-N 3.35Å
179P82.9Confident88.9Confident84 Ų8487.9 Ų87.955%0.54544%0.437SS..PPolyproline II helixtrans-60.3130.8175.224.9-31.3000108.8E181P179-E181 PolarHBondContact O-N 2.72Å
180P80.9Confident88.4Confident80 Ų8088.6 Ų88.652%0.51945%0.45SS..PPolyproline II helixtrans-57.1135.4173.2-18.728.8000109.8D182 E183P180-D182 PolarHBondContact O-N 2.86Å; P180-D182 VanDerWaalsContact O-N 3.14Å; P180-E183 HydrophobicContact CB-CB 4.21Å; P180-E183 HydrophobicContact CG-CB 4.34Å; P180-E183 WeakPolarHBondContact O-CB 3.3Å; P180-E183 PolarHBondContact O-N 3.4Å
181E78.7Confident87.7Confident193 Ų19393.8 Ų93.890%0.90248%0.484SS*.THydrogen-bonded Turntrans-56.5-33.3179.9-63.6-172.6165.800111.5P179P179-E181 PolarHBondContact O-N 2.72Å
182D79Confident86.9Confident93 Ų9392.3 Ų92.350%0.49749%0.487SS..THydrogen-bonded Turntrans-946.4-177.4-53.6-38.9000113.9P180 A184 E185 H186P180-D182 PolarHBondContact O-N 2.86Å; P180-D182 VanDerWaalsContact O-N 3.14Å; D182-A184 PolarHBondContact O-N 3.19Å; D182-A184 VanDerWaalsContact O-N 3.11Å; D182-E185 HydrophobicContact CB-CB 4.47Å; D182-E185 HydrophobicContact CB-CG 4.21Å; D182-E185 WeakPolarHBondContact O-CB 3.29Å; D182-E185 PolarHBondContact O-N 2.97Å; D182-H186 PolarHBondContact O-CE1 2.77Å; D182-H186 VanDerWaalsContact O-CE1 3.25Å; D182-H186 PolarHBondContact O-N 3.29Å; D182-H186 PolarHBondContact O-ND1 2.95Å
183E79.4Confident86.3Confident64 Ų6492 Ų9230%0.29950%0.496SS..THydrogen-bonded Turntrans-53.4-39.2-175.8-175.6171.4-164.600111.8P180 E185 H186 Y187P180-E183 HydrophobicContact CB-CB 4.21Å; P180-E183 HydrophobicContact CG-CB 4.34Å; P180-E183 WeakPolarHBondContact O-CB 3.3Å; P180-E183 PolarHBondContact O-N 3.4Å; E183-E185 VanDerWaalsContact C-N 3.3Å; E183-E185 PolarHBondContact O-N 3.44Å; E183-H186 WeakPolarHBondContact CA-ND1 3.48Å; E183-H186 PolarHBondContact O-N 3.14Å; E183-Y187 HydrophobicContact CG-CE2 3.93Å; E183-Y187 WeakPolarHBondContact O-CD2 3.46Å; E183-Y187 VanDerWaalsContact O-CE2 3.27Å; E183-Y187 WeakPolarHBondContact O-CE2 3.29Å
184A82.3Confident85.6Confident68 Ų6896.5 Ų96.556%0.56252%0.515SS*.THydrogen-bonded Turntrans-65.4-30.5176.700000113.5D182 H186 Y187D182-A184 PolarHBondContact O-N 3.19Å; D182-A184 VanDerWaalsContact O-N 3.11Å; A184-H186 VanDerWaalsContact C-N 3.34Å; A184-Y187 PolarHBondContact O-N 3.31Å
185E85.3Confident85.1Confident109 Ų10997.2 Ų97.251%0.50952%0.518SS..G310 helixtrans-69.6-34.3-177.6-51-137.4121.900112D182 E183 Y187 K188D182-E185 HydrophobicContact CB-CB 4.47Å; D182-E185 HydrophobicContact CB-CG 4.21Å; D182-E185 WeakPolarHBondContact O-CB 3.29Å; D182-E185 PolarHBondContact O-N 2.97Å; E183-E185 VanDerWaalsContact C-N 3.3Å; E183-E185 PolarHBondContact O-N 3.44Å; E185-Y187 PolarHBondContact O-N 2.94Å; E185-Y187 VanDerWaalsContact O-N 3.1Å; E185-K188 PolarHBondContact O-N 3.01Å; E185-K188 VanDerWaalsContact O-N 3.11Å; E185-K188 IonicContact OE1-NZ 2.71Å; E185-K188 PolarHBondContact OE1-NZ 3.44Å
186H82.6Confident84.7Confident121 Ų12198.3 Ų98.356%0.5652%0.518SS*.G310 helixtrans-61.3-19.8177.3-58.493.6000113.6D182 E183 A184D182-H186 PolarHBondContact O-CE1 2.77Å; D182-H186 VanDerWaalsContact O-CE1 3.25Å; D182-H186 PolarHBondContact O-N 3.29Å; D182-H186 PolarHBondContact O-ND1 2.95Å; E183-H186 WeakPolarHBondContact CA-ND1 3.48Å; E183-H186 PolarHBondContact O-N 3.14Å; A184-H186 VanDerWaalsContact C-N 3.34Å
187Y87.8Confident84.3Confident43 Ų4396.8 Ų96.817%0.16952%0.515CS..G310 helixtrans-103-3.8-179.5-56.2-63.8000113.7E183 A184 E185 I189 Q350 L353 K354E183-Y187 HydrophobicContact CG-CE2 3.93Å; E183-Y187 WeakPolarHBondContact O-CD2 3.46Å; E183-Y187 VanDerWaalsContact O-CE2 3.27Å; E183-Y187 WeakPolarHBondContact O-CE2 3.29Å; A184-Y187 PolarHBondContact O-N 3.31Å; E185-Y187 PolarHBondContact O-N 2.94Å; E185-Y187 VanDerWaalsContact O-N 3.1Å; Y187-I189 PolarHBondContact O-N 3.13Å; Y187-Q350 HydrophobicContact CD1-CB 4.26Å; Y187-Q350 HydrophobicContact CD1-CG 4.23Å; Y187-Q350 PolarHBondContact O-NE2 2.99Å; Y187-Q350 VanDerWaalsContact O-NE2 3.11Å; Y187-L353 HydrophobicContact CE1-CD2 4.1Å; Y187-L353 HydrophobicContact CE1-CG 4.38Å; Y187-K354 HydrophobicContact CD1-CG 4.28Å; Y187-K354 HydrophobicContact CE1-CD 4.25Å; Y187-K354 HydrophobicContact CE1-CG 3.54Å
188K89.5Confident83.9Confident130 Ų130101.6 Ų101.657%0.56554%0.537SS*.PPolyproline II helixtrans-72.9120.1177.6-67.2175.9-172166.90109.3E185E185-K188 PolarHBondContact O-N 3.01Å; E185-K188 VanDerWaalsContact O-N 3.11Å; E185-K188 IonicContact OE1-NZ 2.71Å; E185-K188 PolarHBondContact OE1-NZ 3.44Å
189I86.6Confident83.7Confident62 Ų62101.1 Ų101.132%0.31853%0.531SS..PPolyproline II helixtrans-92.8119.4172.5-57179.6000107.8Y187 L343 L346 R347Y187-I189 PolarHBondContact O-N 3.13Å; I189-L343 HydrophobicContact CD1-CD1 3.85Å; I189-L343 HydrophobicContact CG2-CD1 3.81Å; I189-L346 HydrophobicContact CB-CD2 4.43Å; I189-L346 HydrophobicContact CD1-CD2 4.05Å; I189-L346 HydrophobicContact CD1-CG 4.46Å; I189-L346 HydrophobicContact CG1-CD2 3.86Å; I189-L346 HydrophobicContact CG2-CD2 3.91Å; I189-R347 HydrophobicContact CD1-CG 4.12Å
190P85.2Confident84.1Confident104 Ų104104.3 Ų104.368%0.67553%0.533SS*.PPolyproline II helixtrans-60146.6174.9-22.933.9000111.5
191P81.9Confident84.5Confident124 Ų124103.5 Ų103.581%0.80553%0.533SS*.PPolyproline II helixtrans-63.9148.5174.728.3-34.4000110.9G193P191-G193 PolarHBondContact O-N 3.43Å
192L80.9Confident85Confident127 Ų12799 Ų9967%0.66551%0.511SS*.PPolyproline II helixtrans-57.3128.8171.6-79.3149.7000109.6
193G82.5Confident85.4Confident57 Ų5799.5 Ų99.559%0.58851%0.511SS*.  trans-75.1177.2172.500000112P191 H195P191-G193 PolarHBondContact O-N 3.43Å; G193-H195 PolarHBondContact O-N 2.86Å
194K83.1Confident86Confident121 Ų121100.8 Ų100.853%0.52652%0.52SS..  trans-57.1135.1168.7-63.4-172.2-179.5-171.50110.5R199 Q202K194-R199 HydrophobicContact CB-CG 3.89Å; K194-Q202 VanDerWaalsContact NZ-OE1 3.11Å
195H85.1Confident86.2Confident95 Ų95101.5 Ų101.544%0.4451%0.514SS..  trans-58.3144.9177.7-169.2-97.1000111.2G193 S197 Q198 R199G193-H195 PolarHBondContact O-N 2.86Å; H195-S197 VanDerWaalsContact C-N 3.26Å; H195-S197 PolarHBondContact ND1-N 3.5Å; H195-S197 PolarHBondContact ND1-OG 3.4Å; H195-S197 PolarHBondContact O-N 3.23Å; H195-Q198 PolarHBondContact O-N 2.72Å; H195-R199 PolarHBondContact O-N 3.31Å
196Y86.1Confident86.4Confident141 Ų14199.8 Ų99.855%0.55351%0.508SS*.Hα-helixtrans-59.9-35.4-173.761.9-92.2000112.3Q198 R199 W200Y196-Q198 VanDerWaalsContact C-N 3.34Å; Y196-Q198 PolarHBondContact O-N 2.88Å; Y196-R199 PolarHBondContact O-N 2.94Å; Y196-W200 HydrophobicContact CD2-CD2 4.37Å; Y196-W200 AromaticContact CD2-CE3 3.91Å; Y196-W200 HydrophobicContact CD2-CE3 3.91Å; Y196-W200 HydrophobicContact CD2-CH2 4.12Å; Y196-W200 AromaticContact CD2-CZ3 3.78Å; Y196-W200 HydrophobicContact CD2-CZ3 3.78Å; Y196-W200 HydrophobicContact CE2-CZ3 4.14Å; Y196-W200 WeakPolarHBondContact O-CB 3.39Å; Y196-W200 VanDerWaalsContact O-CG 3.31Å; Y196-W200 PolarHBondContact O-N 3.39Å
197S86.8Confident86.6Confident58 Ų5899.5 Ų99.541%0.40651%0.506SS..Hα-helixtrans-64.3-36.7176.863.40000112.9H195 A201H195-S197 VanDerWaalsContact C-N 3.26Å; H195-S197 PolarHBondContact ND1-N 3.5Å; H195-S197 PolarHBondContact ND1-OG 3.4Å; H195-S197 PolarHBondContact O-N 3.23Å; S197-A201 VanDerWaalsContact O-CB 3.28Å; S197-A201 WeakPolarHBondContact O-CB 3.45Å; S197-A201 PolarHBondContact O-N 3.19Å
198Q84.3Confident86.5Confident122 Ų122104.1 Ų104.157%0.5753%0.53SS*.Hα-helixtrans-72.2-37.6174.2-67.4-179.13.900111.4H195 Y196 Q202H195-Q198 PolarHBondContact O-N 2.72Å; Y196-Q198 VanDerWaalsContact C-N 3.34Å; Y196-Q198 PolarHBondContact O-N 2.88Å; Q198-Q202 VanDerWaalsContact O-CB 3.27Å; Q198-Q202 WeakPolarHBondContact O-CB 3.5Å; Q198-Q202 PolarHBondContact O-N 3.45Å
199R87.1Confident86.4Confident128 Ų128102.2 Ų102.248%0.48352%0.523SS..Hα-helixtrans-64.2-45.3174.1-72.7-160-179.4-157.9-0111.4K194 H195 Y196 Q202 E203K194-R199 HydrophobicContact CB-CG 3.89Å; H195-R199 PolarHBondContact O-N 3.31Å; Y196-R199 PolarHBondContact O-N 2.94Å; R199-Q202 PolarHBondContact O-N 3.31Å; R199-E203 WeakPolarHBondContact O-CB 3.47Å; R199-E203 VanDerWaalsContact O-CG 3.23Å; R199-E203 WeakPolarHBondContact O-CG 3.27Å; R199-E203 PolarHBondContact O-N 2.96Å
200W91.6Very high86.3Confident151 Ų151105.2 Ų105.257%0.57253%0.534SS*.Hα-helixtrans-65.2-46.8176.7-70.9-16.8000111.9Y196 Q202 E203 D204Y196-W200 HydrophobicContact CD2-CD2 4.37Å; Y196-W200 AromaticContact CD2-CE3 3.91Å; Y196-W200 HydrophobicContact CD2-CE3 3.91Å; Y196-W200 HydrophobicContact CD2-CH2 4.12Å; Y196-W200 AromaticContact CD2-CZ3 3.78Å; Y196-W200 HydrophobicContact CD2-CZ3 3.78Å; Y196-W200 HydrophobicContact CE2-CZ3 4.14Å; Y196-W200 WeakPolarHBondContact O-CB 3.39Å; Y196-W200 VanDerWaalsContact O-CG 3.31Å; Y196-W200 PolarHBondContact O-N 3.39Å; W200-Q202 PolarHBondContact O-N 3.04Å; W200-E203 CarbonylContact O-C 3.58Å; W200-E203 PolarHBondContact O-N 3.45Å; W200-D204 VanDerWaalsContact O-CB 3.31Å; W200-D204 WeakPolarHBondContact O-CB 3.38Å; W200-D204 PolarHBondContact O-N 2.86Å
201A89.6Confident86.2Confident63 Ų63103.9 Ų103.952%0.52152%0.521SS..Hα-helixtrans-57.6-38.2174.800000112.2S197 L205S197-A201 VanDerWaalsContact O-CB 3.28Å; S197-A201 WeakPolarHBondContact O-CB 3.45Å; S197-A201 PolarHBondContact O-N 3.19Å; A201-L205 VanDerWaalsContact O-CB 3.28Å; A201-L205 WeakPolarHBondContact O-CB 3.48Å; A201-L205 PolarHBondContact O-N 2.9Å; A201-L205 VanDerWaalsContact O-N 3.11Å
202Q87.6Confident86.1Confident97 Ų9799.9 Ų99.945%0.45350%0.502SS..Hα-helixtrans-69.2-40.6173.9-175.2176.57.500112.3K194 Q198 R199 W200 L206K194-Q202 VanDerWaalsContact NZ-OE1 3.11Å; Q198-Q202 VanDerWaalsContact O-CB 3.27Å; Q198-Q202 WeakPolarHBondContact O-CB 3.5Å; Q198-Q202 PolarHBondContact O-N 3.45Å; R199-Q202 PolarHBondContact O-N 3.31Å; W200-Q202 PolarHBondContact O-N 3.04Å; Q202-L206 HydrophobicContact CG-CD1 4.26Å; Q202-L206 WeakPolarHBondContact O-CB 3.38Å; Q202-L206 WeakPolarHBondContact O-CD1 3.07Å; Q202-L206 WeakPolarHBondContact O-CG 3.47Å; Q202-L206 PolarHBondContact O-N 3.23Å; Q202-L206 VanDerWaalsContact O-N 3.12Å
203E89.2Confident85.9Confident104 Ų10496.8 Ų96.849%0.48650%0.495SS..Hα-helixtrans-68.8-44.8179-76.8168.6-169.300111.6R199 W200 L206 E207R199-E203 WeakPolarHBondContact O-CB 3.47Å; R199-E203 VanDerWaalsContact O-CG 3.23Å; R199-E203 WeakPolarHBondContact O-CG 3.27Å; R199-E203 PolarHBondContact O-N 2.96Å; W200-E203 CarbonylContact O-C 3.58Å; W200-E203 PolarHBondContact O-N 3.45Å; E203-L206 CarbonylContact O-C 3.56Å; E203-L206 PolarHBondContact O-N 2.71Å; E203-E207 WeakPolarHBondContact O-CB 3.47Å; E203-E207 PolarHBondContact O-N 3.43Å
204D90.2Very high85.5Confident91 Ų91102 Ų10249%0.48750%0.497SS..Hα-helixtrans-61-47.7176-68.8-7.3000110.5W200 L206 E207 E208W200-D204 VanDerWaalsContact O-CB 3.31Å; W200-D204 WeakPolarHBondContact O-CB 3.38Å; W200-D204 PolarHBondContact O-N 2.86Å; D204-L206 VanDerWaalsContact C-N 3.3Å; D204-L206 PolarHBondContact O-N 2.8Å; D204-E207 WeakPolarHBondContact O-CB 3.49Å; D204-E207 PolarHBondContact O-N 3.22Å; D204-E207 VanDerWaalsContact O-N 3.08Å; D204-E208 WeakPolarHBondContact O-CG 3.4Å; D204-E208 PolarHBondContact O-N 3.22Å
205L87.8Confident85.1Confident83 Ų8399.2 Ų99.244%0.43550%0.497SS..Hα-helixtrans-60.4-40.4176.1-178.465.2000111.9A201 E207 Q209A201-L205 VanDerWaalsContact O-CB 3.28Å; A201-L205 WeakPolarHBondContact O-CB 3.48Å; A201-L205 PolarHBondContact O-N 2.9Å; A201-L205 VanDerWaalsContact O-N 3.11Å; L205-E207 VanDerWaalsContact C-N 3.33Å; L205-Q209 WeakPolarHBondContact O-CB 3.45Å; L205-Q209 VanDerWaalsContact O-CG 3.28Å; L205-Q209 WeakPolarHBondContact O-CG 3.46Å; L205-Q209 PolarHBondContact O-N 3.5Å
206L88.8Confident84.5Confident74 Ų7497.1 Ų97.139%0.38750%0.496SS..Hα-helixtrans-69.7-31.1175.9-73.9172.4000112.3Q202 E203 D204 K210Q202-L206 HydrophobicContact CG-CD1 4.26Å; Q202-L206 WeakPolarHBondContact O-CB 3.38Å; Q202-L206 WeakPolarHBondContact O-CD1 3.07Å; Q202-L206 WeakPolarHBondContact O-CG 3.47Å; Q202-L206 PolarHBondContact O-N 3.23Å; Q202-L206 VanDerWaalsContact O-N 3.12Å; E203-L206 CarbonylContact O-C 3.56Å; E203-L206 PolarHBondContact O-N 2.71Å; D204-L206 VanDerWaalsContact C-N 3.3Å; D204-L206 PolarHBondContact O-N 2.8Å; L206-K210 WeakPolarHBondContact O-CB 3.27Å; L206-K210 WeakPolarHBondContact O-CD 3.41Å; L206-K210 VanDerWaalsContact O-CG 3.22Å; L206-K210 WeakPolarHBondContact O-CG 3.49Å; L206-K210 PolarHBondContact O-N 3.26Å; L206-K210 VanDerWaalsContact O-N 3.07Å
207E87.5Confident83.8Confident114 Ų11493.1 Ų93.153%0.53349%0.492SS..Hα-helixtrans-70.9-45.7174.9-170.9162.4-153.600111E203 D204 L205 Q209 K210 D211E203-E207 WeakPolarHBondContact O-CB 3.47Å; E203-E207 PolarHBondContact O-N 3.43Å; D204-E207 WeakPolarHBondContact O-CB 3.49Å; D204-E207 PolarHBondContact O-N 3.22Å; D204-E207 VanDerWaalsContact O-N 3.08Å; L205-E207 VanDerWaalsContact C-N 3.33Å; E207-Q209 VanDerWaalsContact C-N 3.32Å; E207-Q209 PolarHBondContact O-N 2.87Å; E207-K210 WeakPolarHBondContact O-CB 3.41Å; E207-K210 PolarHBondContact O-N 2.79Å; E207-K210 VanDerWaalsContact O-N 3.08Å; E207-D211 PolarHBondContact O-N 3.49Å
208E85.7Confident83.1Confident140 Ų14095.3 Ų95.365%0.65450%0.502SS*.Hα-helixtrans-59.1-41.5173-72-17116300112D204 K210 D211 G212D204-E208 WeakPolarHBondContact O-CG 3.4Å; D204-E208 PolarHBondContact O-N 3.22Å; E208-K210 PolarHBondContact O-N 3.05Å; E208-D211 PolarHBondContact O-N 2.9Å; E208-G212 PolarHBondContact O-N 3.28Å
209Q85.9Confident82.1Confident90 Ų9092.3 Ų92.342%0.42150%0.499SS..Hα-helixtrans-63.3-40174.1-76.3-179.64.300112.2L205 E207 A213L205-Q209 WeakPolarHBondContact O-CB 3.45Å; L205-Q209 VanDerWaalsContact O-CG 3.28Å; L205-Q209 WeakPolarHBondContact O-CG 3.46Å; L205-Q209 PolarHBondContact O-N 3.5Å; E207-Q209 VanDerWaalsContact C-N 3.32Å; E207-Q209 PolarHBondContact O-N 2.87Å; Q209-A213 VanDerWaalsContact O-CB 3.28Å; Q209-A213 WeakPolarHBondContact O-CB 3.47Å; Q209-A213 PolarHBondContact O-N 2.98Å
210K85.8Confident80.7Confident126 Ų12691.9 Ų91.955%0.54851%0.506SS..Hα-helixtrans-69.5-40177.5-77.2169.1-175.2168.90112L206 E207 E208 A213 R214L206-K210 WeakPolarHBondContact O-CB 3.27Å; L206-K210 WeakPolarHBondContact O-CD 3.41Å; L206-K210 VanDerWaalsContact O-CG 3.22Å; L206-K210 WeakPolarHBondContact O-CG 3.49Å; L206-K210 PolarHBondContact O-N 3.26Å; L206-K210 VanDerWaalsContact O-N 3.07Å; E207-K210 WeakPolarHBondContact O-CB 3.41Å; E207-K210 PolarHBondContact O-N 2.79Å; E207-K210 VanDerWaalsContact O-N 3.08Å; E208-K210 PolarHBondContact O-N 3.05Å; K210-A213 PolarHBondContact O-N 3.47Å; K210-R214 WeakPolarHBondContact O-CB 3.29Å; K210-R214 VanDerWaalsContact O-CG 3.25Å; K210-R214 WeakPolarHBondContact O-CG 3.48Å; K210-R214 PolarHBondContact O-N 3.01Å
211D82.4Confident79.2Confident75 Ų7593.9 Ų93.940%0.40152%0.519SS..Hα-helixtrans-73.5-35.8178.6-78.6-10.4000111.8E207 E208 R214 A215E207-D211 PolarHBondContact O-N 3.49Å; E208-D211 PolarHBondContact O-N 2.9Å; D211-R214 PolarHBondContact O-N 3.23Å; D211-R214 IonicContact OD1-NH1 3.08Å; D211-R214 PolarHBondContact OD1-NH1 3.37Å; D211-R214 VanDerWaalsContact OD1-NH1 3.08Å; D211-A215 VanDerWaalsContact O-CB 3.31Å; D211-A215 WeakPolarHBondContact O-CB 3.34Å; D211-A215 PolarHBondContact O-N 2.74Å
212G79.3Confident77.6Confident41 Ų41100.3 Ų100.342%0.42354%0.535SS..Hα-helixtrans-60.5-44.8167.400000112.3E208 A215 A216E208-G212 PolarHBondContact O-N 3.28Å; G212-A215 PolarHBondContact O-N 3Å; G212-A216 WeakPolarHBondContact O-CB 3.24Å; G212-A216 PolarHBondContact O-N 3.32Å
213A77.6Confident75.8Confident62 Ų62104 Ų10451%0.51255%0.55SS..Hα-helixtrans-65.3-37.8175.500000112.6Q209 K210 A217Q209-A213 VanDerWaalsContact O-CB 3.28Å; Q209-A213 WeakPolarHBondContact O-CB 3.47Å; Q209-A213 PolarHBondContact O-N 2.98Å; K210-A213 PolarHBondContact O-N 3.47Å; A213-A217 WeakPolarHBondContact O-CB 3.38Å; A213-A217 PolarHBondContact O-N 2.93Å
214R74.7Confident73.3Confident166 Ų166102.8 Ų102.863%0.62657%0.565SS**Hα-helixtrans-66.3-43.1173.3-75.5168.4175.5170.7-2.9111.6K210 D211 A217 V218K210-R214 WeakPolarHBondContact O-CB 3.29Å; K210-R214 VanDerWaalsContact O-CG 3.25Å; K210-R214 WeakPolarHBondContact O-CG 3.48Å; K210-R214 PolarHBondContact O-N 3.01Å; D211-R214 PolarHBondContact O-N 3.23Å; D211-R214 IonicContact OD1-NH1 3.08Å; D211-R214 PolarHBondContact OD1-NH1 3.37Å; D211-R214 VanDerWaalsContact OD1-NH1 3.08Å; R214-A217 PolarHBondContact O-N 3.39Å; R214-V218 VanDerWaalsContact O-CG2 3.3Å; R214-V218 WeakPolarHBondContact O-CG2 3.42Å; R214-V218 PolarHBondContact O-N 3.14Å
215A75Confident71.2Confident63 Ų63106.1 Ų106.152%0.52158%0.582SS.*Hα-helixtrans-64.2-42177.100000111.5D211 G212 V218 A219D211-A215 VanDerWaalsContact O-CB 3.31Å; D211-A215 WeakPolarHBondContact O-CB 3.34Å; D211-A215 PolarHBondContact O-N 2.74Å; G212-A215 PolarHBondContact O-N 3Å; A215-V218 PolarHBondContact O-N 2.98Å; A215-A219 WeakPolarHBondContact O-CB 3.5Å; A215-A219 PolarHBondContact O-N 3.44Å
216A72.7Confident69Low51 Ų51110.9 Ų110.942%0.42160%0.604SS.*Hα-helixtrans-61.2-46.2173.400000111.5G212 V218 A219 D220G212-A216 WeakPolarHBondContact O-CB 3.24Å; G212-A216 PolarHBondContact O-N 3.32Å; A216-V218 VanDerWaalsContact C-N 3.28Å; A216-V218 PolarHBondContact O-N 3.49Å; A216-A219 PolarHBondContact O-N 2.9Å; A216-A219 VanDerWaalsContact O-N 3.13Å; A216-D220 PolarHBondContact O-N 3.42Å
217A70.8Confident66.9Low56 Ų56110.5 Ų110.546%0.46362%0.618SS.*Hα-helixtrans-63.4-30.817700000113.5A213 R214A213-A217 WeakPolarHBondContact O-CB 3.38Å; A213-A217 PolarHBondContact O-N 2.93Å; R214-A217 PolarHBondContact O-N 3.39Å
218V70.8Confident64.8Low104 Ų104110.6 Ų110.663%0.6363%0.629SS**Hα-helixtrans-76.2-37.2173.6173.80000111.3R214 A215 A216 K221R214-V218 VanDerWaalsContact O-CG2 3.3Å; R214-V218 WeakPolarHBondContact O-CG2 3.42Å; R214-V218 PolarHBondContact O-N 3.14Å; A215-V218 PolarHBondContact O-N 2.98Å; A216-V218 VanDerWaalsContact C-N 3.28Å; A216-V218 PolarHBondContact O-N 3.49Å; V218-K221 PolarHBondContact O-N 2.9Å
219A64Low63Low60 Ų60112.7 Ų112.750%0.49664%0.643SS.*Hα-helixtrans-66.9-39.7176.300000112.1A215 A216 K221 K222 K223A215-A219 WeakPolarHBondContact O-CB 3.5Å; A215-A219 PolarHBondContact O-N 3.44Å; A216-A219 PolarHBondContact O-N 2.9Å; A216-A219 VanDerWaalsContact O-N 3.13Å; A219-K221 VanDerWaalsContact C-N 3.28Å; A219-K221 PolarHBondContact O-N 3.35Å; A219-K222 PolarHBondContact O-N 2.97Å; A219-K223 PolarHBondContact O-N 3.2Å
220D58.5Low61Low119 Ų119114 Ų11464%0.63666%0.657SS**Hα-helixtrans-64.1-31.5176.6-95.4-49.6000112.7A216 K222 K223A216-D220 PolarHBondContact O-N 3.42Å; D220-K222 PolarHBondContact O-N 3.36Å; D220-K223 PolarHBondContact O-N 3.35Å
221K58.9Low59.1Low192 Ų192117.4 Ų117.484%0.83568%0.675SS**THydrogen-bonded Turntrans-65.6-16.7172.1-78.1-175.7177.6179.70113.8V218 A219V218-K221 PolarHBondContact O-N 2.9Å; A219-K221 VanDerWaalsContact C-N 3.28Å; A219-K221 PolarHBondContact O-N 3.35Å
222K57.1Low57.6Low199 Ų199120 Ų12087%0.86569%0.689SS**THydrogen-bonded Turntrans-106.6-6.4-179.3-143178.1-176.7179.90113.7A219 D220A219-K222 PolarHBondContact O-N 2.97Å; D220-K222 PolarHBondContact O-N 3.36Å
223K49.2Very low56.1Low175 Ų175122.5 Ų122.576%0.76169%0.692SS**  trans-126.456.6-179.1-132.3-177.4-173.1-175.60110.9A219 D220 L225A219-K223 PolarHBondContact O-N 3.2Å; D220-K223 PolarHBondContact O-N 3.35Å; K223-L225 VanDerWaalsContact C-N 3.27Å; K223-L225 PolarHBondContact O-N 3.17Å
224G37.6Very low55.4Low78 Ų78124.8 Ų124.880%0.80470%0.7SS**  trans-68.783.3168.900000111.1
225L45Very low54.8Low161 Ų161124.3 Ų124.384%0.84370%0.702SS**  trans179.287.1150.4-161.466.7000108.9K223K223-L225 VanDerWaalsContact C-N 3.27Å; K223-L225 PolarHBondContact O-N 3.17Å
226M42.7Very low54.3Low182 Ų182125.2 Ų125.290%0.89770%0.699SS**SBendtrans166106.8145.4-88.8-74.9-83.100111.1
227G44Very low53.9Low67 Ų67126.1 Ų126.169%0.69170%0.699SS**  trans55.9125.314000000121.2L229G227-L229 PolarHBondContact O-N 3.19Å
228P43.1Very low53.8Low116 Ų116129 Ų12975%0.75371%0.706SS**  trans-77.7118.2-178.632-30.9000111.9
229L47.2Very low53.8Low183 Ų183126.5 Ų126.596%0.95870%0.697SS**  trans-101.665.9157.1-83.7166.1000108.4G227G227-L229 PolarHBondContact O-N 3.19Å
230T45Very low53.8Low117 Ų117129.2 Ų129.272%0.71870%0.702SS**  trans-98.295.2167470000107.7
231E46.6Very low53.9Low198 Ų198126.3 Ų126.393%0.92569%0.686SS**  trans16373.3155.8-93.6172.4-164.700107.9
232L49.9Very low54.2Low130 Ų130124.8 Ų124.868%0.68168%0.68SS**  trans-113.3109.5157.5-153.175.7000106.6T234L232-T234 PolarHBondContact O-N 2.81Å
233D47.8Very low54.2Low94 Ų94122.5 Ų122.550%0.50367%0.67SS.*  trans-61.5133.1-174.9-167.213.1000109.4K235 D236D233-K235 PolarHBondContact O-N 3.37Å; D233-D236 PolarHBondContact O-N 3.22Å
234T62.8Low54.3Low110 Ų110117.1 Ų117.168%0.67565%0.654SS**Hα-helixtrans-51.7-18.6-178.339.40000114.5L232L232-T234 PolarHBondContact O-N 2.81Å
235K63Low54.9Low155 Ų155120.1 Ų120.167%0.67465%0.647SS**Hα-helixtrans-76.2-28.2176.1-66.2178.6179.1172.60114.1D233 V237 A239D233-K235 PolarHBondContact O-N 3.37Å; K235-V237 VanDerWaalsContact C-N 3.35Å; K235-A239 PolarHBondContact O-N 2.97Å
236D63.8Low55.3Low83 Ų83116.2 Ų116.244%0.44464%0.638SS.*Hα-helixtrans-75.1-30.1178.4-73.8-30.1000111.3D233 A239 L240D233-D236 PolarHBondContact O-N 3.22Å; D236-A239 PolarHBondContact O-N 3.15Å; D236-L240 WeakPolarHBondContact O-CB 3.48Å; D236-L240 WeakPolarHBondContact O-CD1 3.31Å; D236-L240 PolarHBondContact O-N 2.85Å
237V65.2Low55.6Low69 Ų69114.6 Ų114.642%0.41863%0.629SS.*Hα-helixtrans-67-44.1176-174.50000111K235 A239 L240 L241K235-V237 VanDerWaalsContact C-N 3.35Å; V237-A239 VanDerWaalsContact C-N 3.34Å; V237-A239 PolarHBondContact O-N 3.01Å; V237-L240 PolarHBondContact O-N 3.44Å; V237-L241 HydrophobicContact CG1-CD1 4.08Å; V237-L241 WeakPolarHBondContact O-CB 3.39Å; V237-L241 PolarHBondContact O-N 3.49Å
238D67.4Low55.7Low117 Ų117119.4 Ų119.463%0.62663%0.632SS**Hα-helixtrans-64.3-37174.8-94-28.9000112.4K242D238-K242 PolarHBondContact O-N 3.25Å
239A70.4Confident55.9Low52 Ų52122.5 Ų122.543%0.4364%0.637SS.*Hα-helixtrans-71.7-35.1177.300000112.6K235 D236 V237 K243K235-A239 PolarHBondContact O-N 2.97Å; D236-A239 PolarHBondContact O-N 3.15Å; V237-A239 VanDerWaalsContact C-N 3.34Å; V237-A239 PolarHBondContact O-N 3.01Å; A239-K243 WeakPolarHBondContact O-CB 3.41Å; A239-K243 PolarHBondContact O-N 3.46Å; A239-K243 VanDerWaalsContact O-N 3.1Å
240L64.4Low55.9Low117 Ų117121.6 Ų121.661%0.61363%0.628SS**Hα-helixtrans-69.5-40.4173.4-101.4122000111.9D236 V237 K243 S244D236-L240 WeakPolarHBondContact O-CB 3.48Å; D236-L240 WeakPolarHBondContact O-CD1 3.31Å; D236-L240 PolarHBondContact O-N 2.85Å; V237-L240 PolarHBondContact O-N 3.44Å; L240-K243 CarbonylContact O-C 3.6Å; L240-K243 PolarHBondContact O-N 3.36Å; L240-S244 PolarHBondContact O-N 3Å
241L61.5Low56.1Low57 Ų57119.3 Ų119.330%0.29862%0.615SS.*Hα-helixtrans-63.5-43.6174.9-86.1156.6000112V237 K243 S244 E245V237-L241 HydrophobicContact CG1-CD1 4.08Å; V237-L241 WeakPolarHBondContact O-CB 3.39Å; V237-L241 PolarHBondContact O-N 3.49Å; L241-K243 VanDerWaalsContact C-N 3.28Å; L241-K243 PolarHBondContact O-N 3.28Å; L241-S244 PolarHBondContact O-N 2.9Å; L241-S244 PolarHBondContact O-OG 3.17Å; L241-E245 PolarHBondContact O-N 3.38Å
242K64.6Low56.3Low160 Ų160119.6 Ų119.670%0.69662%0.616SS**Hα-helixtrans-63.4-32.9173.5-107178.7174.4173.30113.4D238 A246D238-K242 PolarHBondContact O-N 3.25Å; K242-A246 WeakPolarHBondContact O-CB 3.4Å; K242-A246 PolarHBondContact O-N 3.47Å
243K58Low56.5Low151 Ų151119.4 Ų119.466%0.65762%0.616SS**Hα-helixtrans-75-35.5174.1-86.2-179.5174.7177.60112.1A239 L240 L241 A246 Q247A239-K243 WeakPolarHBondContact O-CB 3.41Å; A239-K243 PolarHBondContact O-N 3.46Å; A239-K243 VanDerWaalsContact O-N 3.1Å; L240-K243 CarbonylContact O-C 3.6Å; L240-K243 PolarHBondContact O-N 3.36Å; L241-K243 VanDerWaalsContact C-N 3.28Å; L241-K243 PolarHBondContact O-N 3.28Å; K243-A246 PolarHBondContact O-N 2.92Å; K243-Q247 WeakPolarHBondContact O-CB 3.49Å; K243-Q247 WeakPolarHBondContact O-CG 3.35Å; K243-Q247 PolarHBondContact O-N 2.72Å
244S50Low57.1Low62 Ų62119.4 Ų119.443%0.43464%0.638SS.*Hα-helixtrans-70.2-40176.168.30000111.3L240 L241 A246 Q247 H248L240-S244 PolarHBondContact O-N 3Å; L241-S244 PolarHBondContact O-N 2.9Å; L241-S244 PolarHBondContact O-OG 3.17Å; S244-A246 VanDerWaalsContact C-N 3.33Å; S244-A246 PolarHBondContact O-N 2.79Å; S244-Q247 CarbonylContact O-C 3.54Å; S244-Q247 PolarHBondContact O-N 3.37Å; S244-Q247 VanDerWaalsContact O-N 3.16Å; S244-H248 WeakPolarHBondContact O-CB 3.39Å; S244-H248 PolarHBondContact O-N 3.08Å
245E50.3Low57.3Low141 Ų141116.3 Ų116.366%0.65962%0.62SS**Hα-helixtrans-64-36.7173.8-77.3-179.6155.100112.3L241 Q247L241-E245 PolarHBondContact O-N 3.38Å; E245-Q247 VanDerWaalsContact C-N 3.31Å; E245-Q247 PolarHBondContact O-N 3.36Å
246A54.2Low57.9Low79 Ų79111 Ų11165%0.65360%0.602SS**Hα-helixtrans-76.9-13.5175.400000114.2K242 K243 S244K242-A246 WeakPolarHBondContact O-CB 3.4Å; K242-A246 PolarHBondContact O-N 3.47Å; K243-A246 PolarHBondContact O-N 2.92Å; S244-A246 VanDerWaalsContact C-N 3.33Å; S244-A246 PolarHBondContact O-N 2.79Å
247Q48.2Very low58.7Low149 Ų149109.2 Ų109.270%0.69659%0.59SS**Hα-helixtrans-106.6-9.8176.9-70.6-161.9-5200113.7K243 S244 E245 E249 Q250K243-Q247 WeakPolarHBondContact O-CB 3.49Å; K243-Q247 WeakPolarHBondContact O-CG 3.35Å; K243-Q247 PolarHBondContact O-N 2.72Å; S244-Q247 CarbonylContact O-C 3.54Å; S244-Q247 PolarHBondContact O-N 3.37Å; S244-Q247 VanDerWaalsContact O-N 3.16Å; E245-Q247 VanDerWaalsContact C-N 3.31Å; E245-Q247 PolarHBondContact O-N 3.36Å; Q247-E249 PolarHBondContact O-N 2.83Å; Q247-E249 VanDerWaalsContact O-N 3.12Å; Q247-Q250 PolarHBondContact O-N 3.31Å
248H46.4Very low59.5Low167 Ų167106.7 Ų106.777%0.77358%0.578SS**THydrogen-bonded Turntrans-73.43.2178-158.561.4000114S244S244-H248 WeakPolarHBondContact O-CB 3.39Å; S244-H248 PolarHBondContact O-N 3.08Å
249E46.5Very low60.3Low181 Ų181104.1 Ų104.185%0.84657%0.573SS**THydrogen-bonded Turntrans-90.61.1170.3-75.2-118133.300113.9Q247 P251Q247-E249 PolarHBondContact O-N 2.83Å; Q247-E249 VanDerWaalsContact O-N 3.12Å; E249-P251 WeakPolarHBondContact O-CD 3.44Å
250Q47.4Very low61.1Low165 Ų165103.4 Ų103.477%0.77156%0.562SS**SBendtrans-91.3115.6166.2-80-152.88.200110.2Q247 E252Q247-Q250 PolarHBondContact O-N 3.31Å; Q250-E252 PolarHBondContact O-N 3.44Å
251P49.3Very low62.3Low69 Ų6998.2 Ų98.245%0.44854%0.535SS..  trans-69.1119.5173.628-29.3000108.2E249 D253E249-P251 WeakPolarHBondContact O-CD 3.44Å; P251-D253 PolarHBondContact O-N 3.12Å
252E51.2Low63.5Low204 Ų20498 Ų9895%0.95353%0.533SS*.SBendtrans-69.51.6169.6-74-140.9139.700113Q250Q250-E252 PolarHBondContact O-N 3.44Å
253D53.8Low64.6Low126 Ų12699.2 Ų99.267%0.67453%0.533SS*.SBendtrans-101128.5166.3-73.3-46000109.4P251 C255P251-D253 PolarHBondContact O-N 3.12Å; D253-C255 PolarHBondContact O-N 2.98Å
254G60.5Low66.1Low93 Ų9395 Ų9596%0.95952%0.517SS*.  trans-62.327.1-174.200000117.1
255C66.4Low67.9Low45 Ų4595.2 Ų95.230%0.30451%0.513SS..  trans-83.6121.3174.6-172.80000110.2D253 F257 Q262D253-C255 PolarHBondContact O-N 2.98Å; C255-F257 PolarHBondContact O-N 3.41Å; C255-F257 VanDerWaalsContact SG-CD2 3.57Å; C255-Q262 HydrophobicContact CB-CG 4.47Å
256P76.2Confident69.6Low45 Ų4593.3 Ų93.329%0.29250%0.504SS..SBendtrans-72.1-9.3-175.630.6-36.6000113.6T311P256-T311 HydrophobicContact CB-CG2 4.02Å; P256-T311 WeakPolarHBondContact O-CB 3.2Å; P256-T311 WeakPolarHBondContact O-CG2 3.42Å; P256-T311 PolarHBondContact O-OG1 3.15Å
257F80.8Confident71.1Confident44 Ų4491.7 Ų91.719%0.19349%0.491CS..SBendtrans-86.8145-178.9-57.8-63.7000111C255 T261 Q262 L265 V308 T311 L314C255-F257 PolarHBondContact O-N 3.41Å; C255-F257 VanDerWaalsContact SG-CD2 3.57Å; F257-T261 HydrophobicContact CB-CG2 3.73Å; F257-T261 HydrophobicContact CD1-CG2 3.76Å; F257-T261 HydrophobicContact CG-CG2 3.81Å; F257-Q262 HydrophobicContact CB-CG 4.18Å; F257-Q262 WeakPolarHBondContact O-CG 3.34Å; F257-Q262 PolarHBondContact O-NE2 2.8Å; F257-L265 HydrophobicContact CD2-CD1 3.63Å; F257-L265 HydrophobicContact CE2-CD1 3.89Å; F257-L265 HydrophobicContact CG-CD1 4.2Å; F257-V308 HydrophobicContact CE1-CG2 4.33Å; F257-V308 HydrophobicContact CZ-CG2 4.12Å; F257-T311 HydrophobicContact CD1-CG2 4.27Å; F257-L314 HydrophobicContact CD1-CD2 4.05Å; F257-L314 HydrophobicContact CE1-CD2 3.93Å
258G81.5Confident73Confident16 Ų1687.4 Ų87.417%0.16547%0.472CS..  trans-77.7172.4173.700000113.5L260 T261 Q262 E315G258-L260 VanDerWaalsContact C-N 3.28Å; G258-L260 PolarHBondContact O-N 3.43Å; G258-L260 VanDerWaalsContact O-N 3.17Å; G258-T261 PolarHBondContact O-N 3.26Å; G258-Q262 WeakPolarHBondContact O-CG 3.49Å; G258-Q262 PolarHBondContact O-N 3.04Å; G258-E315 VanDerWaalsContact CA-OE1 3.24Å; G258-E315 WeakPolarHBondContact CA-OE1 3.41Å; G258-E315 WeakPolarHBondContact CA-OE2 3.38Å
259A85Confident74.9Confident64 Ų6481.9 Ų81.953%0.52945%0.45SS..Hα-helixtrans-56.1-36.7-166.500000114R263 E315A259-R263 WeakPolarHBondContact O-CB 3.39Å; A259-R263 PolarHBondContact O-N 3.2Å; A259-E315 PolarHBondContact N-OE1 3.33Å; A259-E315 VanDerWaalsContact N-OE1 3.13Å
260L86.9Confident76.7Confident36 Ų3679.5 Ų79.519%0.18844%0.439CS..Hα-helixtrans-65.2-47.9177.7173.562000110.7G258 R263 L264 E315 I318 K319 L322 L328G258-L260 VanDerWaalsContact C-N 3.28Å; G258-L260 PolarHBondContact O-N 3.43Å; G258-L260 VanDerWaalsContact O-N 3.17Å; L260-R263 PolarHBondContact O-N 2.89Å; L260-L264 HydrophobicContact CD1-CD1 4.16Å; L260-L264 HydrophobicContact CD1-CG 4.45Å; L260-L264 HydrophobicContact CG-CD1 4.12Å; L260-L264 WeakPolarHBondContact O-CG 3.31Å; L260-L264 PolarHBondContact O-N 2.9Å; L260-E315 HydrophobicContact CB-CG 4.27Å; L260-E315 PolarHBondContact N-OE1 3.01Å; L260-I318 HydrophobicContact CD2-CG2 4.03Å; L260-I318 HydrophobicContact CG-CG2 4.37Å; L260-K319 HydrophobicContact CD2-CB 3.89Å; L260-K319 HydrophobicContact CD2-CG 4.47Å; L260-L322 HydrophobicContact CD1-CD1 4.36Å; L260-L328 HydrophobicContact CD1-CD1 4.25Å; L260-L328 HydrophobicContact CD2-CD1 4.4Å
261T89.1Confident78.3Confident8 Ų878.5 Ų78.55%0.04943%0.434CS..Hα-helixtrans-67.7-39.2-178.7-55.40000110.7F257 G258 L264 L265 I318F257-T261 HydrophobicContact CB-CG2 3.73Å; F257-T261 HydrophobicContact CD1-CG2 3.76Å; F257-T261 HydrophobicContact CG-CG2 3.81Å; G258-T261 PolarHBondContact O-N 3.26Å; T261-L264 PolarHBondContact O-N 3.01Å; T261-L265 HydrophobicContact CG2-CD1 4.1Å; T261-L265 HydrophobicContact CG2-CG 4.46Å; T261-L265 WeakPolarHBondContact O-CB 3.47Å; T261-L265 VanDerWaalsContact O-CG 3.29Å; T261-L265 WeakPolarHBondContact O-CG 3.47Å; T261-L265 PolarHBondContact O-N 3.12Å; T261-I318 HydrophobicContact CG2-CD1 4.13Å
262Q88.2Confident79.7Confident53 Ų5382.2 Ų82.225%0.24845%0.451CS..Hα-helixtrans-59.7-46.9173.6-70.1-178.25.200111.8C255 F257 G258 L264 L265 Q266C255-Q262 HydrophobicContact CB-CG 4.47Å; F257-Q262 HydrophobicContact CB-CG 4.18Å; F257-Q262 WeakPolarHBondContact O-CG 3.34Å; F257-Q262 PolarHBondContact O-NE2 2.8Å; G258-Q262 WeakPolarHBondContact O-CG 3.49Å; G258-Q262 PolarHBondContact O-N 3.04Å; Q262-L264 VanDerWaalsContact C-N 3.34Å; Q262-L264 PolarHBondContact O-N 2.8Å; Q262-L265 PolarHBondContact O-N 3.35Å; Q262-Q266 WeakPolarHBondContact O-CB 3.5Å; Q262-Q266 PolarHBondContact O-N 2.88Å
263R87.7Confident81Confident186 Ų18677.9 Ų77.970%0.70243%0.433SS*.Hα-helixtrans-63.3-39.1178.6-171.3176.2-66.4145.61.7112.3A259 L260 A267A259-R263 WeakPolarHBondContact O-CB 3.39Å; A259-R263 PolarHBondContact O-N 3.2Å; L260-R263 PolarHBondContact O-N 2.89Å; R263-A267 WeakPolarHBondContact O-CB 3.41Å; R263-A267 PolarHBondContact O-N 3.27Å
264L89.2Confident82.1Confident62 Ų6275.4 Ų75.433%0.32542%0.418SS..Hα-helixtrans-66.2-45.4175.4-71.9165.9000111.8L260 T261 Q262 Q266 A267 L268 I318 L322L260-L264 HydrophobicContact CD1-CD1 4.16Å; L260-L264 HydrophobicContact CD1-CG 4.45Å; L260-L264 HydrophobicContact CG-CD1 4.12Å; L260-L264 WeakPolarHBondContact O-CG 3.31Å; L260-L264 PolarHBondContact O-N 2.9Å; T261-L264 PolarHBondContact O-N 3.01Å; Q262-L264 VanDerWaalsContact C-N 3.34Å; Q262-L264 PolarHBondContact O-N 2.8Å; L264-Q266 VanDerWaalsContact C-N 3.33Å; L264-Q266 PolarHBondContact O-N 2.93Å; L264-A267 PolarHBondContact O-N 3.12Å; L264-L268 VanDerWaalsContact O-CG 3.24Å; L264-L268 WeakPolarHBondContact O-CG 3.49Å; L264-L268 PolarHBondContact O-N 3.26Å; L264-I318 HydrophobicContact CD1-CG2 3.44Å; L264-I318 VanDerWaalsContact CD1-CG2 3.44Å; L264-L322 HydrophobicContact CD1-CD1 3.98Å; L264-L322 HydrophobicContact CD2-CD1 4.45Å
265L86.2Confident82.5Confident66 Ų6675.8 Ų75.835%0.34641%0.407SS..Hα-helixtrans-61.2-43.4176.1-73.2170.9000111.2F257 T261 Q262 L268 V269F257-L265 HydrophobicContact CD2-CD1 3.63Å; F257-L265 HydrophobicContact CE2-CD1 3.89Å; F257-L265 HydrophobicContact CG-CD1 4.2Å; T261-L265 HydrophobicContact CG2-CD1 4.1Å; T261-L265 HydrophobicContact CG2-CG 4.46Å; T261-L265 WeakPolarHBondContact O-CB 3.47Å; T261-L265 VanDerWaalsContact O-CG 3.29Å; T261-L265 WeakPolarHBondContact O-CG 3.47Å; T261-L265 PolarHBondContact O-N 3.12Å; Q262-L265 PolarHBondContact O-N 3.35Å; L265-L268 PolarHBondContact O-N 2.99Å; L265-V269 WeakPolarHBondContact O-CG2 3.15Å; L265-V269 PolarHBondContact O-N 3.28Å
266Q86.1Confident82.4Confident102 Ų10278.5 Ų78.548%0.47742%0.424SS..Hα-helixtrans-59.3-47.8175.9-176.863.624.200111.5Q262 L264 L268 V269 E270Q262-Q266 WeakPolarHBondContact O-CB 3.5Å; Q262-Q266 PolarHBondContact O-N 2.88Å; L264-Q266 VanDerWaalsContact C-N 3.33Å; L264-Q266 PolarHBondContact O-N 2.93Å; Q266-L268 VanDerWaalsContact C-N 3.32Å; Q266-L268 PolarHBondContact O-N 2.64Å; Q266-V269 PolarHBondContact O-N 3.13Å; Q266-E270 WeakPolarHBondContact CG-OE1 3.3Å; Q266-E270 PolarHBondContact NE2-OE1 2.89Å; Q266-E270 WeakPolarHBondContact O-CG 3.48Å; Q266-E270 PolarHBondContact O-N 3.24Å
267A86.5Confident81.4Confident44 Ų4484.9 Ų84.936%0.36445%0.452SS..Hα-helixtrans-61.1-39.617700000112.3R263 L264 V269 E270 E271R263-A267 WeakPolarHBondContact O-CB 3.41Å; R263-A267 PolarHBondContact O-N 3.27Å; L264-A267 PolarHBondContact O-N 3.12Å; A267-V269 VanDerWaalsContact C-N 3.31Å; A267-V269 PolarHBondContact O-N 2.89Å; A267-E270 PolarHBondContact O-N 3.3Å; A267-E271 WeakPolarHBondContact O-CB 3.44Å; A267-E271 WeakPolarHBondContact O-CG 3.47Å; A267-E271 PolarHBondContact O-N 3.4Å
268L88.2Confident80Confident60 Ų6091.5 Ų91.531%0.31448%0.483SS..Hα-helixtrans-67.3-31.2177.1-69.6169.4000112.9L264 L265 Q266 I273 I274L264-L268 VanDerWaalsContact O-CG 3.24Å; L264-L268 WeakPolarHBondContact O-CG 3.49Å; L264-L268 PolarHBondContact O-N 3.26Å; L265-L268 PolarHBondContact O-N 2.99Å; Q266-L268 VanDerWaalsContact C-N 3.32Å; Q266-L268 PolarHBondContact O-N 2.64Å; L268-I273 HydrophobicContact CD2-CB 4.07Å; L268-I273 HydrophobicContact CD2-CD1 3.81Å; L268-I273 HydrophobicContact CD2-CG2 3.97Å; L268-I273 PolarHBondContact O-N 3.3Å; L268-I274 HydrophobicContact CB-CD1 3.99Å; L268-I274 HydrophobicContact CB-CG1 4.2Å; L268-I274 HydrophobicContact CD1-CD1 3.75Å; L268-I274 HydrophobicContact CG-CD1 4.42Å; L268-I274 PolarHBondContact O-N 3.12Å
269V85.5Confident78.2Confident51 Ų5198.6 Ų98.631%0.30952%0.518SS..Hα-helixtrans-73.3-44.3173.6171.70000110.7L265 Q266 A267 E271 N272 P276L265-V269 WeakPolarHBondContact O-CG2 3.15Å; L265-V269 PolarHBondContact O-N 3.28Å; Q266-V269 PolarHBondContact O-N 3.13Å; A267-V269 VanDerWaalsContact C-N 3.31Å; A267-V269 PolarHBondContact O-N 2.89Å; V269-E271 VanDerWaalsContact C-N 3.33Å; V269-E271 PolarHBondContact O-N 3.48Å; V269-N272 PolarHBondContact O-N 3.18Å; V269-N272 VanDerWaalsContact O-N 3.11Å; V269-P276 HydrophobicContact CG1-CG 4.1Å
270E84.2Confident76.2Confident130 Ų130101 Ų10161%0.60753%0.53SS*.Hα-helixtrans-62.8-37.4177.9-73.3174.7-170.600112.6Q266 A267 N272Q266-E270 WeakPolarHBondContact CG-OE1 3.3Å; Q266-E270 PolarHBondContact NE2-OE1 2.89Å; Q266-E270 WeakPolarHBondContact O-CG 3.48Å; Q266-E270 PolarHBondContact O-N 3.24Å; A267-E270 PolarHBondContact O-N 3.3Å; E270-N272 PolarHBondContact O-N 2.98Å; E270-N272 PolarHBondContact O-ND2 3.38Å
271E82.4Confident74.1Confident144 Ų144105.2 Ų105.267%0.67356%0.56SS**THydrogen-bonded Turntrans-79.75176.2-69.6-76.8154.400113.4A267 V269 I273A267-E271 WeakPolarHBondContact O-CB 3.44Å; A267-E271 WeakPolarHBondContact O-CG 3.47Å; A267-E271 PolarHBondContact O-N 3.4Å; V269-E271 VanDerWaalsContact C-N 3.33Å; V269-E271 PolarHBondContact O-N 3.48Å; E271-I273 HydrophobicContact CB-CD1 3.72Å; E271-I273 HydrophobicContact CB-CG1 3.87Å; E271-I273 PolarHBondContact O-N 2.82Å
272N77.9Confident72Confident148 Ų148112.3 Ų112.379%0.79160%0.596SS**THydrogen-bonded Turntrans56.525.1-176.5-60.9-89.3000114.4V269 E270V269-N272 PolarHBondContact O-N 3.18Å; V269-N272 VanDerWaalsContact O-N 3.11Å; E270-N272 PolarHBondContact O-N 2.98Å; E270-N272 PolarHBondContact O-ND2 3.38Å
273I78.3Confident69.9Low113 Ų113115.3 Ų115.358%0.57962%0.62SS**SBendtrans-80.1-32.6179.3-61.2170.2000110.4L268 E271L268-I273 HydrophobicContact CD2-CB 4.07Å; L268-I273 HydrophobicContact CD2-CD1 3.81Å; L268-I273 HydrophobicContact CD2-CG2 3.97Å; L268-I273 PolarHBondContact O-N 3.3Å; E271-I273 HydrophobicContact CB-CD1 3.72Å; E271-I273 HydrophobicContact CB-CG1 3.87Å; E271-I273 PolarHBondContact O-N 2.82Å
274I76.8Confident67.4Low73 Ų73114.2 Ų114.237%0.37463%0.628SS.*SBendtrans-127.1130.8176-56.1177.5000108.5L268L268-I274 HydrophobicContact CB-CD1 3.99Å; L268-I274 HydrophobicContact CB-CG1 4.2Å; L268-I274 HydrophobicContact CD1-CD1 3.75Å; L268-I274 HydrophobicContact CG-CD1 4.42Å; L268-I274 PolarHBondContact O-N 3.12Å
275S69.2Low65.4Low102 Ų102119.9 Ų119.971%0.71366%0.655SS**PPolyproline II helixtrans-66.9138.5173.8-60.90000110.6M277S275-M277 PolarHBondContact O-N 2.92Å; S275-M277 VanDerWaalsContact O-N 3.11Å
276P64.7Low63.2Low101 Ų101122.5 Ų122.566%0.65668%0.679SS**PPolyproline II helixtrans-52.7121.3171.6-18.627.7000109.1V269 E278V269-P276 HydrophobicContact CG1-CG 4.1Å; P276-E278 PolarHBondContact O-N 2.87Å
277M55.2Low61.2Low179 Ų179121.3 Ų121.388%0.88269%0.694SS**SBendtrans-74.9123.3171.9-82.6173.616600108S275S275-M277 PolarHBondContact O-N 2.92Å; S275-M277 VanDerWaalsContact O-N 3.11Å
278E51.7Low59.1Low183 Ų183128.4 Ų128.486%0.85572%0.716SS**  trans88.991.3172.1-50.5-162.3147.200117.2P276P276-E278 PolarHBondContact O-N 2.87Å
279D43.2Very low57Low166 Ų166134.5 Ų134.589%0.88874%0.743SS**  -167.385.8126.6-105.1-24.2000109.1
280S42Very low55Low113 Ų113138.1 Ų138.179%0.7977%0.771SS**  trans-111.9113.7168-91.10000109.7I282S280-I282 PolarHBondContact O-N 3.41Å
281P43.5Very low52.9Low125 Ų125135.2 Ų135.281%0.81278%0.776SS**PPolyproline II helixtrans-73.8121.1174.128.6-29.9000109.7
282I46Very low51Low158 Ų158132.7 Ų132.781%0.8178%0.78SS**PPolyproline II helixtrans-74.3130.5-179.4-59.6169.2000109.6S280S280-I282 PolarHBondContact O-N 3.41Å
283P44.5Very low49.5Very low115 Ų115133.8 Ų133.875%0.74779%0.785SS**PPolyproline II helixtrans-84.5131.7173.531-29000112.1M285P283-M285 PolarHBondContact O-N 3.27Å
284D35.2Very low47.7Very low163 Ų163132 Ų13287%0.87280%0.795SS**PPolyproline II helixtrans-62.6122.1173-79.1-49.6000112.1
285M47.3Very low46Very low182 Ų182133.6 Ų133.690%0.89782%0.819SS**  trans-141.7120.4153.9-79.5-61.2-107.400110.9P283P283-M285 PolarHBondContact O-N 3.27Å
286S40Very low44.6Very low120 Ų120133.7 Ų133.784%0.83982%0.82SS**  trans-59.8146.4178.353.50000115.1
287G42.3Very low43.8Very low77 Ų77135.7 Ų135.779%0.79483%0.831SS**  trans174.198.6162.600000113.5
288K42.3Very low42.8Very low194 Ų194131.4 Ų131.484%0.84382%0.818SS**  trans-44.2153.6163-145.6164.5179.4177.40109
289E45.7Very low42.3Very low188 Ų188128.6 Ų128.688%0.87982%0.816SS**  -169154.676.9-40-155.216900110.9
290S42.1Very low42.1Very low126 Ų126131.1 Ų131.188%0.88181%0.813SS**  trans-93.6158-170-56.10000114.7
291G40.7Very low42.1Very low70 Ų70131.7 Ų131.772%0.72281%0.807SS**  trans128100.8157.800000112.7
292A43.7Very low42Very low91 Ų91134.8 Ų134.875%0.75281%0.811SS**  67.4122.493.600000111.2
293D46.3Very low41.9Very low170 Ų170135.1 Ų135.191%0.90981%0.814SS**  cis-154.4158.922.4-74.5-55.3000105.6
294G40.7Very low42Very low76 Ų76137.7 Ų137.778%0.78481%0.813SS**  cis140.58629.800000108
295A41.1Very low42.8Very low107 Ų107135.5 Ų135.588%0.88481%0.808SS**  trans-16469.8160.600000108.9
296S38.4Very low43.1Very low103 Ų103135 Ų13572%0.7280%0.801SS**  trans-103.4113.1-171.9-179.80000111.5S298S296-S298 PolarHBondContact O-N 2.8Å; S296-S298 PolarHBondContact OG-N 3.28Å
297T47.6Very low43.9Very low144 Ų144134 Ų13488%0.88379%0.794SS**  trans-88.581.9151.555.40000108.1
298S35.7Very low45.1Very low89 Ų89132.3 Ų132.362%0.62277%0.769SS**  trans26.299.7151.7-177.60000118.9S296S296-S298 PolarHBondContact O-N 2.8Å; S296-S298 PolarHBondContact OG-N 3.28Å
299P40.9Very low46.3Very low124 Ų124127.4 Ų127.481%0.80576%0.757SS**  trans-94.4103.215132.2-20.4000108.4
300R39.4Very low47.8Very low219 Ų219125.7 Ų125.783%0.82675%0.748SS**  trans-117125.1178.7-171.9168.4-178.8168.60.8110.2
301N41.3Very low49.6Very low124 Ų124121.1 Ų121.166%0.66372%0.715SS**  trans86.381.3171.2-69.418.3000117.9
302Q40.5Very low51.4Low191 Ų191126.2 Ų126.289%0.89372%0.717SS**  trans-65.1145.5141.7-67.4171.9-29.300108.8
303N45.5Very low53.4Low164 Ų164124.7 Ų124.788%0.87770%0.701SS**  trans92.446.1-165.3-60.311000116.1
304K45.6Very low55.3Low169 Ų169119.9 Ų119.974%0.73568%0.675SS**  trans-117.7130.9155.2-81179.6177.1-175.90109.4
305P51.6Low57.5Low118 Ų118118.8 Ų118.877%0.76665%0.65SS**  trans-56.2141.9174.224.7-32.5000109.1S307P305-S307 VanDerWaalsContact C-N 3.33Å; P305-S307 PolarHBondContact O-N 3.05Å
306F54.8Low59.6Low171 Ų171116.6 Ų116.675%0.7563%0.627SS**  trans-57.694.8178.3-175.3-102.3000109.4V308F306-V308 HydrophobicContact CD1-CG2 3.71Å; F306-V308 HydrophobicContact CE1-CG2 3.2Å; F306-V308 HydrophobicContact CZ-CG2 3.93Å
307S57Low62Low99 Ų99119.8 Ų119.869%0.69262%0.624SS**  trans-97.298.6179.8174.20000108.2P305 P309P305-S307 VanDerWaalsContact C-N 3.33Å; P305-S307 PolarHBondContact O-N 3.05Å; S307-P309 WeakPolarHBondContact O-CD 3.43Å
308V65.5Low64Low42 Ų42114.8 Ų114.826%0.25559%0.591SS.*  trans-70.3117.6170-1770000108.3F257 F306 T311F257-V308 HydrophobicContact CE1-CG2 4.33Å; F257-V308 HydrophobicContact CZ-CG2 4.12Å; F306-V308 HydrophobicContact CD1-CG2 3.71Å; F306-V308 HydrophobicContact CE1-CG2 3.2Å; F306-V308 HydrophobicContact CZ-CG2 3.93Å; V308-T311 HydrophobicContact CB-CG2 4.01Å; V308-T311 HydrophobicContact CG1-CG2 4.43Å; V308-T311 WeakPolarHBondContact O-CG2 3.42Å
309P69.4Low66.5Low91 Ų91114.4 Ų114.459%0.59158%0.578SS**THydrogen-bonded Turntrans-66.7149.2174.727.6-32.1000110.2S307S307-P309 WeakPolarHBondContact O-CD 3.43Å
310H75.6Confident68.8Low152 Ų152114.2 Ų114.270%0.70457%0.567SS**THydrogen-bonded Turntrans68.928.9176.6-48.2-73.4000116.6K312 S313 L314H310-K312 VanDerWaalsContact C-N 3.25Å; H310-K312 PolarHBondContact O-N 3.43Å; H310-S313 WeakPolarHBondContact O-CA 3.45Å; H310-S313 WeakPolarHBondContact O-CB 3.43Å; H310-S313 PolarHBondContact O-N 3.36Å; H310-L314 PolarHBondContact O-N 2.87Å
311T81.3Confident71.2Confident29 Ų29108.9 Ų108.918%0.17855%0.551CS.*Hα-helixtrans-56-36.4177.357.10000113.8P256 F257 V308 S313 L314 E315P256-T311 HydrophobicContact CB-CG2 4.02Å; P256-T311 WeakPolarHBondContact O-CB 3.2Å; P256-T311 WeakPolarHBondContact O-CG2 3.42Å; P256-T311 PolarHBondContact O-OG1 3.15Å; F257-T311 HydrophobicContact CD1-CG2 4.27Å; V308-T311 HydrophobicContact CB-CG2 4.01Å; V308-T311 HydrophobicContact CG1-CG2 4.43Å; V308-T311 WeakPolarHBondContact O-CG2 3.42Å; T311-S313 PolarHBondContact O-N 3.27Å; T311-L314 WeakPolarHBondContact O-CB 3.46Å; T311-L314 PolarHBondContact O-N 2.95Å; T311-E315 PolarHBondContact O-N 3.43Å
312K78Confident73.5Confident178 Ų178104.5 Ų104.577%0.77453%0.528SS*.Hα-helixtrans-63.3-39.1172.2-61.4-170.7177.3-166.60113.4H310 E315 S316H310-K312 VanDerWaalsContact C-N 3.25Å; H310-K312 PolarHBondContact O-N 3.43Å; K312-E315 PolarHBondContact O-N 3.02Å; K312-S316 PolarHBondContact O-N 2.99Å; K312-S316 VanDerWaalsContact O-N 3.08Å
313S84.9Confident75.7Confident59 Ų5998 Ų9841%0.41350%0.498SS..Hα-helixtrans-71.9-34177.2-175.90000111.5H310 T311 R317H310-S313 WeakPolarHBondContact O-CA 3.45Å; H310-S313 WeakPolarHBondContact O-CB 3.43Å; H310-S313 PolarHBondContact O-N 3.36Å; T311-S313 PolarHBondContact O-N 3.27Å; S313-R317 WeakPolarHBondContact O-CB 3.49Å; S313-R317 PolarHBondContact O-N 3.12Å
314L86.5Confident77.7Confident69 Ų6994 Ų9436%0.36149%0.489SS..Hα-helixtrans-63-46.9173177.666.3000110.2F257 H310 T311 S316 R317 I318F257-L314 HydrophobicContact CD1-CD2 4.05Å; F257-L314 HydrophobicContact CE1-CD2 3.93Å; H310-L314 PolarHBondContact O-N 2.87Å; T311-L314 WeakPolarHBondContact O-CB 3.46Å; T311-L314 PolarHBondContact O-N 2.95Å; L314-S316 PolarHBondContact O-N 2.85Å; L314-R317 PolarHBondContact O-N 2.92Å; L314-I318 HydrophobicContact CD1-CD1 3.94Å; L314-I318 HydrophobicContact CD1-CG1 4.22Å; L314-I318 HydrophobicContact CD2-CD1 4.44Å; L314-I318 HydrophobicContact CG-CD1 3.78Å; L314-I318 HydrophobicContact CG-CG1 4.42Å; L314-I318 WeakPolarHBondContact O-CB 3.43Å; L314-I318 VanDerWaalsContact O-CG1 3.3Å; L314-I318 WeakPolarHBondContact O-CG1 3.33Å; L314-I318 PolarHBondContact O-N 3.37Å
315E87.5Confident79.8Confident53 Ų5392 Ų9225%0.24848%0.482CS..Hα-helixtrans-60.6-44.1178.1-172.9161.3-140.700112.4G258 A259 L260 T311 K312 R317 I318 K319G258-E315 VanDerWaalsContact CA-OE1 3.24Å; G258-E315 WeakPolarHBondContact CA-OE1 3.41Å; G258-E315 WeakPolarHBondContact CA-OE2 3.38Å; A259-E315 PolarHBondContact N-OE1 3.33Å; A259-E315 VanDerWaalsContact N-OE1 3.13Å; L260-E315 HydrophobicContact CB-CG 4.27Å; L260-E315 PolarHBondContact N-OE1 3.01Å; T311-E315 PolarHBondContact O-N 3.43Å; K312-E315 PolarHBondContact O-N 3.02Å; E315-R317 PolarHBondContact O-N 3Å; E315-I318 PolarHBondContact O-N 3.32Å; E315-K319 WeakPolarHBondContact O-CB 3.42Å; E315-K319 PolarHBondContact O-N 2.66Å
316S85.5Confident81.2Confident60 Ų6089.5 Ų89.542%0.4248%0.477SS..Hα-helixtrans-59.4-45.5173.3-164.40000112K312 L314 K319 E320K312-S316 PolarHBondContact O-N 2.99Å; K312-S316 VanDerWaalsContact O-N 3.08Å; L314-S316 PolarHBondContact O-N 2.85Å; S316-K319 PolarHBondContact O-N 3.01Å; S316-E320 WeakPolarHBondContact O-CB 3.47Å; S316-E320 WeakPolarHBondContact O-CG 3.32Å; S316-E320 PolarHBondContact O-N 3.37Å; S316-E320 PolarHBondContact OG-OE1 2.85Å
317R88.8Confident82.7Confident170 Ų17087.6 Ų87.664%0.64247%0.474SS*.Hα-helixtrans-69-37.4-178.2-170175.9-72.2167-2.2112.4S313 L314 E315 E321S313-R317 WeakPolarHBondContact O-CB 3.49Å; S313-R317 PolarHBondContact O-N 3.12Å; L314-R317 PolarHBondContact O-N 2.92Å; E315-R317 PolarHBondContact O-N 3Å; R317-E321 WeakPolarHBondContact O-CB 3.48Å; R317-E321 PolarHBondContact O-N 3.5Å
318I89.7Confident83.8Confident39 Ų3986 Ų8620%0.246%0.458CS..Hα-helixtrans-64-45.2173-70.3169.4000109.8L260 T261 L264 L314 E315 E321 L322L260-I318 HydrophobicContact CD2-CG2 4.03Å; L260-I318 HydrophobicContact CG-CG2 4.37Å; T261-I318 HydrophobicContact CG2-CD1 4.13Å; L264-I318 HydrophobicContact CD1-CG2 3.44Å; L264-I318 VanDerWaalsContact CD1-CG2 3.44Å; L314-I318 HydrophobicContact CD1-CD1 3.94Å; L314-I318 HydrophobicContact CD1-CG1 4.22Å; L314-I318 HydrophobicContact CD2-CD1 4.44Å; L314-I318 HydrophobicContact CG-CD1 3.78Å; L314-I318 HydrophobicContact CG-CG1 4.42Å; L314-I318 WeakPolarHBondContact O-CB 3.43Å; L314-I318 VanDerWaalsContact O-CG1 3.3Å; L314-I318 WeakPolarHBondContact O-CG1 3.33Å; L314-I318 PolarHBondContact O-N 3.37Å; E315-I318 PolarHBondContact O-N 3.32Å; I318-E321 PolarHBondContact O-N 3.45Å; I318-L322 HydrophobicContact CG2-CD1 3.78Å; I318-L322 HydrophobicContact CG2-CG 4.25Å; I318-L322 WeakPolarHBondContact O-CB 3.48Å; I318-L322 VanDerWaalsContact O-CG 3.26Å; I318-L322 WeakPolarHBondContact O-CG 3.48Å; I318-L322 PolarHBondContact O-N 2.96Å
319K87.9Confident84.3Confident81 Ų8192.8 Ų92.835%0.35249%0.487SS..Hα-helixtrans-59.2-48.5176.3-171.1178.2-177.7177.70111L260 E315 S316 L322 I323 E331L260-K319 HydrophobicContact CD2-CB 3.89Å; L260-K319 HydrophobicContact CD2-CG 4.47Å; E315-K319 WeakPolarHBondContact O-CB 3.42Å; E315-K319 PolarHBondContact O-N 2.66Å; S316-K319 PolarHBondContact O-N 3.01Å; K319-L322 PolarHBondContact O-N 2.88Å; K319-I323 HydrophobicContact CG-CD1 3.98Å; K319-I323 WeakPolarHBondContact O-CB 3.42Å; K319-I323 WeakPolarHBondContact O-CD1 3.46Å; K319-I323 VanDerWaalsContact O-CG1 3.22Å; K319-I323 WeakPolarHBondContact O-CG1 3.18Å; K319-I323 PolarHBondContact O-N 3.38Å; K319-E331 IonicContact NZ-OE2 3.05Å; K319-E331 PolarHBondContact NZ-OE2 2.81Å
320E88.2Confident84.4Confident121 Ų12191.3 Ų91.357%0.56548%0.478SS*.Hα-helixtrans-59-45.8176.8-76.5167.5-153.300112.5S316 I323 A324S316-E320 WeakPolarHBondContact O-CB 3.47Å; S316-E320 WeakPolarHBondContact O-CG 3.32Å; S316-E320 PolarHBondContact O-N 3.37Å; S316-E320 PolarHBondContact OG-OE1 2.85Å; E320-I323 PolarHBondContact O-N 3.2Å; E320-A324 WeakPolarHBondContact O-CB 3.49Å; E320-A324 PolarHBondContact O-N 3.14Å
321E89.3Confident83.8Confident106 Ų10691.7 Ų91.750%0.49548%0.48SS..Hα-helixtrans-66.8-43.1179.4-171.564.8-147.200111.6R317 I318 I323 A324 Q325R317-E321 WeakPolarHBondContact O-CB 3.48Å; R317-E321 PolarHBondContact O-N 3.5Å; I318-E321 PolarHBondContact O-N 3.45Å; E321-I323 VanDerWaalsContact C-N 3.3Å; E321-I323 PolarHBondContact O-N 3.42Å; E321-A324 WeakPolarHBondContact O-CB 3.23Å; E321-A324 PolarHBondContact O-N 3.27Å; E321-A324 VanDerWaalsContact O-N 3.13Å; E321-Q325 HydrophobicContact CG-CG 4.45Å; E321-Q325 VanDerWaalsContact O-CG 3.24Å; E321-Q325 WeakPolarHBondContact O-CG 3.42Å; E321-Q325 PolarHBondContact O-N 3.01Å; E321-Q325 PolarHBondContact OE1-NE2 3.14Å
322L90.9Very high82.7Confident33 Ų3397.7 Ų97.717%0.17351%0.512CS..Hα-helixtrans-64.5-34.5176.7-72.3176.8000112.1L260 L264 I318 K319 G326 L327 L328L260-L322 HydrophobicContact CD1-CD1 4.36Å; L264-L322 HydrophobicContact CD1-CD1 3.98Å; L264-L322 HydrophobicContact CD2-CD1 4.45Å; I318-L322 HydrophobicContact CG2-CD1 3.78Å; I318-L322 HydrophobicContact CG2-CG 4.25Å; I318-L322 WeakPolarHBondContact O-CB 3.48Å; I318-L322 VanDerWaalsContact O-CG 3.26Å; I318-L322 WeakPolarHBondContact O-CG 3.48Å; I318-L322 PolarHBondContact O-N 2.96Å; K319-L322 PolarHBondContact O-N 2.88Å; L322-G326 PolarHBondContact O-N 3.07Å; L322-L327 HydrophobicContact CB-CB 4.48Å; L322-L327 HydrophobicContact CD2-CB 4.11Å; L322-L327 HydrophobicContact CD2-CD1 3.71Å; L322-L327 WeakPolarHBondContact O-CA 3.4Å; L322-L327 PolarHBondContact O-N 3.14Å; L322-L328 HydrophobicContact CB-CB 4.13Å; L322-L328 HydrophobicContact CB-CD1 3.61Å; L322-L328 HydrophobicContact CB-CG 3.9Å; L322-L328 HydrophobicContact CD1-CD1 3.58Å; L322-L328 HydrophobicContact CD1-CG 4.25Å; L322-L328 HydrophobicContact CG-CD1 4.26Å; L322-L328 PolarHBondContact O-N 3.24Å; L322-L328 VanDerWaalsContact O-N 3.11Å
323I86.8Confident81.3Confident54 Ų5497.3 Ų97.328%0.27751%0.505SS..Hα-helixtrans-66-44.9170.6-68.9165.4000110.4K319 E320 E321 Q325 G326 L328K319-I323 HydrophobicContact CG-CD1 3.98Å; K319-I323 WeakPolarHBondContact O-CB 3.42Å; K319-I323 WeakPolarHBondContact O-CD1 3.46Å; K319-I323 VanDerWaalsContact O-CG1 3.22Å; K319-I323 WeakPolarHBondContact O-CG1 3.18Å; K319-I323 PolarHBondContact O-N 3.38Å; E320-I323 PolarHBondContact O-N 3.2Å; E321-I323 VanDerWaalsContact C-N 3.3Å; E321-I323 PolarHBondContact O-N 3.42Å; I323-Q325 VanDerWaalsContact C-N 3.3Å; I323-Q325 PolarHBondContact O-N 3.03Å; I323-G326 PolarHBondContact O-N 3.31Å; I323-L328 WeakPolarHBondContact CA-O 3.46Å; I323-L328 HydrophobicContact CG1-CB 3.9Å
324A87.4Confident79.5Confident81 Ų8199 Ų9967%0.66952%0.515SS*.Hα-helixtrans-63.8-33.4179.800000113.3E320 E321 G326E320-A324 WeakPolarHBondContact O-CB 3.49Å; E320-A324 PolarHBondContact O-N 3.14Å; E321-A324 WeakPolarHBondContact O-CB 3.23Å; E321-A324 PolarHBondContact O-N 3.27Å; E321-A324 VanDerWaalsContact O-N 3.13Å; A324-G326 VanDerWaalsContact C-N 3.27Å
325Q89.7Confident77.9Confident126 Ų12699.8 Ų99.859%0.58953%0.531SS*.THydrogen-bonded Turntrans-81.1-3.5174.7-61.2-69.6-16.600113E321 I323 L327E321-Q325 HydrophobicContact CG-CG 4.45Å; E321-Q325 VanDerWaalsContact O-CG 3.24Å; E321-Q325 WeakPolarHBondContact O-CG 3.42Å; E321-Q325 PolarHBondContact O-N 3.01Å; E321-Q325 PolarHBondContact OE1-NE2 3.14Å; I323-Q325 VanDerWaalsContact C-N 3.3Å; I323-Q325 PolarHBondContact O-N 3.03Å; Q325-L327 VanDerWaalsContact C-N 3.33Å; Q325-L327 HydrophobicContact CB-CD1 4.21Å; Q325-L327 HydrophobicContact CB-CG 4.21Å
326G81.4Confident76.2Confident66 Ų66106 Ų10668%0.6856%0.56SS**THydrogen-bonded Turntrans72.620.8-178.300000114.6L322 I323 A324L322-G326 PolarHBondContact O-N 3.07Å; I323-G326 PolarHBondContact O-N 3.31Å; A324-G326 VanDerWaalsContact C-N 3.27Å
327L84.9Confident74.4Confident130 Ų130108.3 Ų108.368%0.68157%0.568SS**SBendtrans-92.2-21.8178.3-63.8173.7000112.9L322 Q325L322-L327 HydrophobicContact CB-CB 4.48Å; L322-L327 HydrophobicContact CD2-CB 4.11Å; L322-L327 HydrophobicContact CD2-CD1 3.71Å; L322-L327 WeakPolarHBondContact O-CA 3.4Å; L322-L327 PolarHBondContact O-N 3.14Å; Q325-L327 VanDerWaalsContact C-N 3.33Å; Q325-L327 HydrophobicContact CB-CD1 4.21Å; Q325-L327 HydrophobicContact CB-CG 4.21Å
328L81.3Confident72.9Confident67 Ų67103 Ų10335%0.35156%0.556SS.*SBendtrans-126.2143.9172.1-77.9175.2000110.4L260 L322 I323L260-L328 HydrophobicContact CD1-CD1 4.25Å; L260-L328 HydrophobicContact CD2-CD1 4.4Å; L322-L328 HydrophobicContact CB-CB 4.13Å; L322-L328 HydrophobicContact CB-CD1 3.61Å; L322-L328 HydrophobicContact CB-CG 3.9Å; L322-L328 HydrophobicContact CD1-CD1 3.58Å; L322-L328 HydrophobicContact CD1-CG 4.25Å; L322-L328 HydrophobicContact CG-CD1 4.26Å; L322-L328 PolarHBondContact O-N 3.24Å; L322-L328 VanDerWaalsContact O-N 3.11Å; I323-L328 WeakPolarHBondContact CA-O 3.46Å; I323-L328 HydrophobicContact CG1-CB 3.9Å
329E76.2Confident71.4Confident184 Ų184106.9 Ų106.986%0.8657%0.574SS**  trans-79.1144.4171.8-64.5179.4173.100110.2E331E329-E331 PolarHBondContact O-N 3.15Å
330S69.7Low70.9Confident59 Ų59106.1 Ų106.141%0.41357%0.574SS.*  trans-76.7116.9174.646.10000110.1D332 R333S330-D332 PolarHBondContact O-N 3.02Å; S330-R333 PolarHBondContact O-N 3.37Å
331E64.6Low70.8Confident160 Ų160108.7 Ų108.775%0.74859%0.586SS**THydrogen-bonded Turntrans-61.3-24.8173.5-93.6179.6126.600112.9K319 E329 R333K319-E331 IonicContact NZ-OE2 3.05Å; K319-E331 PolarHBondContact NZ-OE2 2.81Å; E329-E331 PolarHBondContact O-N 3.15Å; E331-R333 VanDerWaalsContact C-N 3.34Å; E331-R333 PolarHBondContact O-N 2.94Å
332D57.2Low70.7Confident156 Ų156109 Ų10983%0.83459%0.594SS**THydrogen-bonded Turntrans-91.518.7-176.4-82.1-36000114S330 P334S330-D332 PolarHBondContact O-N 3.02Å; D332-P334 WeakPolarHBondContact O-CD 3.44Å
333R48Very low70.5Confident170 Ų170108.8 Ų108.864%0.64259%0.593SS**  trans-65.5113.7171.7-153.7170.9-174.4176.81.1107.5S330 E331 A335 D337S330-R333 PolarHBondContact O-N 3.37Å; E331-R333 VanDerWaalsContact C-N 3.34Å; E331-R333 PolarHBondContact O-N 2.94Å; R333-A335 PolarHBondContact O-N 3.01Å; R333-D337 IonicContact CZ-OD2 2.88Å; R333-D337 IonicContact NE-OD2 3.14Å; R333-D337 PolarHBondContact NE-OD2 2.96Å; R333-D337 IonicContact NH2-OD2 2.65Å; R333-D337 PolarHBondContact NH2-OD2 2.99Å
334P47.8Very low70.6Confident94 Ų94108 Ų10861%0.6160%0.595SS**  trans-56.5135.1-179.622.7-31.1000107.5D332 E336 D337D332-P334 WeakPolarHBondContact O-CD 3.44Å; P334-E336 PolarHBondContact O-N 3.26Å; P334-D337 PolarHBondContact O-N 3.43Å
335A54.1Low70.8Confident85 Ų85107.2 Ų107.270%0.70258%0.578SS**G310 helixtrans-57.99.3-177.900000114.5R333 S338R333-A335 PolarHBondContact O-N 3.01Å; A335-S338 VanDerWaalsContact O-CB 3.26Å; A335-S338 WeakPolarHBondContact O-CB 3.47Å; A335-S338 PolarHBondContact O-OG 3.02Å
336E50.3Low70.9Confident184 Ų184104.6 Ų104.686%0.8657%0.567SS**G310 helixtrans-84.2-15.8175.2-61.8-140.2138.200113.8P334 S338P334-E336 PolarHBondContact O-N 3.26Å; E336-S338 PolarHBondContact O-N 3.41Å
337D48.9Very low71.4Confident109 Ų109106.9 Ų106.958%0.58356%0.555SS**G310 helixtrans-8110.9167.4-98.9-10.8000112.7R333 P334 E339R333-D337 IonicContact CZ-OD2 2.88Å; R333-D337 IonicContact NE-OD2 3.14Å; R333-D337 PolarHBondContact NE-OD2 2.96Å; R333-D337 IonicContact NH2-OD2 2.65Å; R333-D337 PolarHBondContact NH2-OD2 2.99Å; P334-D337 PolarHBondContact O-N 3.43Å; D337-E339 VanDerWaalsContact C-N 3.25Å; D337-E339 PolarHBondContact O-N 3.44Å; D337-E339 VanDerWaalsContact O-N 3.17Å
338S56.2Low71.8Confident57 Ų57105.7 Ų105.740%0.39954%0.544SS..  trans-85.941.2-179.7-37.90000113.1A335 E336 D340A335-S338 VanDerWaalsContact O-CB 3.26Å; A335-S338 WeakPolarHBondContact O-CB 3.47Å; A335-S338 PolarHBondContact O-OG 3.02Å; E336-S338 PolarHBondContact O-N 3.41Å; S338-D340 PolarHBondContact O-N 3.19Å
339E58.8Low72.5Confident122 Ų122109.3 Ų109.357%0.5755%0.553SS**  trans-71.781.4159.7-69.8-159.1154.600107.7D337 R347D337-E339 VanDerWaalsContact C-N 3.25Å; D337-E339 PolarHBondContact O-N 3.44Å; D337-E339 VanDerWaalsContact O-N 3.17Å; E339-R347 IonicContact OE1-CZ 2.86Å; E339-R347 IonicContact OE1-NH1 2.73Å; E339-R347 PolarHBondContact OE1-NH1 2.89Å
340D76.3Confident73.3Confident65 Ų65101.6 Ų101.635%0.34852%0.518SS..  trans-58.9149.1167.270.625.7000109.1S338 V342 L343 A344S338-D340 PolarHBondContact O-N 3.19Å; D340-V342 PolarHBondContact O-N 3.08Å; D340-V342 PolarHBondContact OD1-N 3.44Å; D340-L343 PolarHBondContact O-N 3.15Å; D340-L343 WeakPolarHBondContact OD1-CA 3.47Å; D340-L343 WeakPolarHBondContact OD1-CB 3.36Å; D340-L343 PolarHBondContact OD1-N 3.48Å; D340-A344 PolarHBondContact O-N 3.43Å
341E86.2Confident74.5Confident175 Ų175101.5 Ų101.582%0.81852%0.52SS*.Hα-helixtrans-52.5-32-176.4-174.9-177.4169.200111.5E345E341-E345 VanDerWaalsContact O-CB 3.3Å; E341-E345 WeakPolarHBondContact O-CB 3.44Å; E341-E345 PolarHBondContact O-N 2.96Å
342V87.5Confident75.9Confident111 Ų11197.9 Ų97.967%0.67350%0.503SS*.Hα-helixtrans-68.4-45.7178.1-179.20000111.6D340 E345 L346D340-V342 PolarHBondContact O-N 3.08Å; D340-V342 PolarHBondContact OD1-N 3.44Å; V342-E345 PolarHBondContact O-N 2.92Å; V342-L346 WeakPolarHBondContact O-CB 3.43Å; V342-L346 PolarHBondContact O-N 3.09Å
343L87.7Confident77.7Confident29 Ų2994.1 Ų94.115%0.15248%0.483CS..Hα-helixtrans-68.2-41.4179.2-177.764.8000110.7I189 D340 L346 R347I189-L343 HydrophobicContact CD1-CD1 3.85Å; I189-L343 HydrophobicContact CG2-CD1 3.81Å; D340-L343 PolarHBondContact O-N 3.15Å; D340-L343 WeakPolarHBondContact OD1-CA 3.47Å; D340-L343 WeakPolarHBondContact OD1-CB 3.36Å; D340-L343 PolarHBondContact OD1-N 3.48Å; L343-L346 PolarHBondContact O-N 3.46Å; L343-R347 WeakPolarHBondContact O-CB 3.48Å; L343-R347 VanDerWaalsContact O-CG 3.32Å; L343-R347 WeakPolarHBondContact O-CG 3.49Å; L343-R347 PolarHBondContact O-N 3.41Å
344A88.8Confident79.8Confident38 Ų3891.2 Ų91.231%0.31448%0.475SS..Hα-helixtrans-61.3-48.9174.700000111.2D340 L346 R347 K348D340-A344 PolarHBondContact O-N 3.43Å; A344-L346 PolarHBondContact O-N 3.02Å; A344-R347 PolarHBondContact O-N 3.45Å; A344-K348 WeakPolarHBondContact O-CB 3.29Å; A344-K348 PolarHBondContact O-N 3.48Å
345E91.9Very high82.1Confident65 Ų6589.9 Ų89.930%0.30447%0.471SS..Hα-helixtrans-65.8-38.7176.9-172.664.1-165.600111.1E341 V342 K348 R349E341-E345 VanDerWaalsContact O-CB 3.3Å; E341-E345 WeakPolarHBondContact O-CB 3.44Å; E341-E345 PolarHBondContact O-N 2.96Å; V342-E345 PolarHBondContact O-N 2.92Å; E345-K348 WeakPolarHBondContact O-CB 3.41Å; E345-K348 PolarHBondContact O-N 3.44Å; E345-K348 IonicContact OE1-NZ 3.31Å; E345-K348 WeakPolarHBondContact OE2-CD 3.45Å; E345-K348 IonicContact OE2-NZ 3.43Å; E345-K348 PolarHBondContact OE2-NZ 3.23Å; E345-R349 VanDerWaalsContact O-CG 3.29Å; E345-R349 WeakPolarHBondContact O-CG 3.42Å; E345-R349 PolarHBondContact O-N 2.98Å; E345-R349 IonicContact OE1-CZ 2.67Å; E345-R349 IonicContact OE1-NE 3.89Å; E345-R349 PolarHBondContact OE1-NE 3.23Å; E345-R349 IonicContact OE1-NH2 2.72Å; E345-R349 PolarHBondContact OE1-NH2 3.09Å
346L91.7Very high84Confident71 Ų7190.7 Ų90.737%0.37246%0.464SS..Hα-helixtrans-61.7-46.5175.6-17764.6000111.7I189 V342 L343 A344 K348 R349 Q350I189-L346 HydrophobicContact CB-CD2 4.43Å; I189-L346 HydrophobicContact CD1-CD2 4.05Å; I189-L346 HydrophobicContact CD1-CG 4.46Å; I189-L346 HydrophobicContact CG1-CD2 3.86Å; I189-L346 HydrophobicContact CG2-CD2 3.91Å; V342-L346 WeakPolarHBondContact O-CB 3.43Å; V342-L346 PolarHBondContact O-N 3.09Å; L343-L346 PolarHBondContact O-N 3.46Å; A344-L346 PolarHBondContact O-N 3.02Å; L346-K348 VanDerWaalsContact C-N 3.32Å; L346-K348 PolarHBondContact O-N 2.83Å; L346-R349 PolarHBondContact O-N 3.24Å; L346-Q350 WeakPolarHBondContact O-CB 3.47Å; L346-Q350 VanDerWaalsContact O-CG 3.31Å; L346-Q350 WeakPolarHBondContact O-CG 3.5Å; L346-Q350 PolarHBondContact O-N 3.39Å
347R91.2Very high86.1Confident114 Ų11483.7 Ų83.743%0.4344%0.435SS..Hα-helixtrans-60.5-42.6175.8-77.4177.7175.9157.84.7111.4I189 E339 L343 A344 Q350 A351I189-R347 HydrophobicContact CD1-CG 4.12Å; E339-R347 IonicContact OE1-CZ 2.86Å; E339-R347 IonicContact OE1-NH1 2.73Å; E339-R347 PolarHBondContact OE1-NH1 2.89Å; L343-R347 WeakPolarHBondContact O-CB 3.48Å; L343-R347 VanDerWaalsContact O-CG 3.32Å; L343-R347 WeakPolarHBondContact O-CG 3.49Å; L343-R347 PolarHBondContact O-N 3.41Å; A344-R347 PolarHBondContact O-N 3.45Å; R347-Q350 PolarHBondContact O-N 3.5Å; R347-A351 PolarHBondContact O-N 3.38Å
348K93.9Very high88.2Confident104 Ų10481.2 Ų81.245%0.45243%0.43SS..Hα-helixtrans-61-47.7174.9177.7-176.6162.4-157.20111.8A344 E345 L346 Q350 A351 E352A344-K348 WeakPolarHBondContact O-CB 3.29Å; A344-K348 PolarHBondContact O-N 3.48Å; E345-K348 WeakPolarHBondContact O-CB 3.41Å; E345-K348 PolarHBondContact O-N 3.44Å; E345-K348 IonicContact OE1-NZ 3.31Å; E345-K348 WeakPolarHBondContact OE2-CD 3.45Å; E345-K348 IonicContact OE2-NZ 3.43Å; E345-K348 PolarHBondContact OE2-NZ 3.23Å; L346-K348 VanDerWaalsContact C-N 3.32Å; L346-K348 PolarHBondContact O-N 2.83Å; K348-Q350 VanDerWaalsContact C-N 3.34Å; K348-Q350 PolarHBondContact O-N 3.32Å; K348-A351 WeakPolarHBondContact O-CB 3.28Å; K348-A351 PolarHBondContact O-N 2.83Å; K348-A351 VanDerWaalsContact O-N 3.14Å; K348-E352 WeakPolarHBondContact CE-OE1 3.31Å; K348-E352 WeakPolarHBondContact O-CG 3.42Å; K348-E352 PolarHBondContact O-N 3.37Å
349R94.8Very high90.1Very high143 Ų14383.5 Ų83.554%0.5443%0.434SS..Hα-helixtrans-63.1-38.1176-64.9-53.8174141.23.5112.7E345 L346 A351 E352 L353E345-R349 VanDerWaalsContact O-CG 3.29Å; E345-R349 WeakPolarHBondContact O-CG 3.42Å; E345-R349 PolarHBondContact O-N 2.98Å; E345-R349 IonicContact OE1-CZ 2.67Å; E345-R349 IonicContact OE1-NE 3.89Å; E345-R349 PolarHBondContact OE1-NE 3.23Å; E345-R349 IonicContact OE1-NH2 2.72Å; E345-R349 PolarHBondContact OE1-NH2 3.09Å; L346-R349 PolarHBondContact O-N 3.24Å; R349-A351 VanDerWaalsContact C-N 3.34Å; R349-E352 PolarHBondContact O-N 3.1Å; R349-L353 VanDerWaalsContact O-CB 3.3Å; R349-L353 WeakPolarHBondContact O-CB 3.29Å; R349-L353 PolarHBondContact O-N 3.27Å
350Q93.7Very high91.8Very high23 Ų2381.7 Ų81.711%0.10743%0.428CS..Hα-helixtrans-63.2-39.6173.2-74.4-177.6-1100111.8Y187 L346 R347 K348 L353 K354Y187-Q350 HydrophobicContact CD1-CB 4.26Å; Y187-Q350 HydrophobicContact CD1-CG 4.23Å; Y187-Q350 PolarHBondContact O-NE2 2.99Å; Y187-Q350 VanDerWaalsContact O-NE2 3.11Å; L346-Q350 WeakPolarHBondContact O-CB 3.47Å; L346-Q350 VanDerWaalsContact O-CG 3.31Å; L346-Q350 WeakPolarHBondContact O-CG 3.5Å; L346-Q350 PolarHBondContact O-N 3.39Å; R347-Q350 PolarHBondContact O-N 3.5Å; K348-Q350 VanDerWaalsContact C-N 3.34Å; K348-Q350 PolarHBondContact O-N 3.32Å; Q350-L353 PolarHBondContact O-N 2.81Å; Q350-K354 VanDerWaalsContact O-CG 3.29Å; Q350-K354 WeakPolarHBondContact O-CG 3.47Å; Q350-K354 PolarHBondContact O-N 3.46Å
351A94Very high92.7Very high57 Ų5784.7 Ų84.747%0.47143%0.434SS..Hα-helixtrans-65.9-44.8175.700000112.1R347 K348 R349 L353 K354 A355R347-A351 PolarHBondContact O-N 3.38Å; K348-A351 WeakPolarHBondContact O-CB 3.28Å; K348-A351 PolarHBondContact O-N 2.83Å; K348-A351 VanDerWaalsContact O-N 3.14Å; R349-A351 VanDerWaalsContact C-N 3.34Å; A351-L353 PolarHBondContact O-N 3.49Å; A351-K354 PolarHBondContact O-N 3.26Å; A351-A355 PolarHBondContact O-N 2.98Å
352E96Very high93.2Very high83 Ų8380.1 Ų80.139%0.38842%0.419SS..Hα-helixtrans-58.8-46173.4-71.8174.2-170.700111.3K348 R349 K354 A355 L356K348-E352 WeakPolarHBondContact CE-OE1 3.31Å; K348-E352 WeakPolarHBondContact O-CG 3.42Å; K348-E352 PolarHBondContact O-N 3.37Å; R349-E352 PolarHBondContact O-N 3.1Å; E352-K354 PolarHBondContact O-N 2.9Å; E352-A355 PolarHBondContact O-N 2.88Å; E352-L356 WeakPolarHBondContact O-CG 3.07Å; E352-L356 PolarHBondContact O-N 2.87Å
353L93.8Very high93.7Very high77 Ų7780.2 Ų80.240%0.40341%0.41SS..Hα-helixtrans-62.5-40178.2-177.861.5000112.1Y187 R349 Q350 A351 L356 S357Y187-L353 HydrophobicContact CE1-CD2 4.1Å; Y187-L353 HydrophobicContact CE1-CG 4.38Å; R349-L353 VanDerWaalsContact O-CB 3.3Å; R349-L353 WeakPolarHBondContact O-CB 3.29Å; R349-L353 PolarHBondContact O-N 3.27Å; Q350-L353 PolarHBondContact O-N 2.81Å; A351-L353 PolarHBondContact O-N 3.49Å; L353-L356 PolarHBondContact O-N 3.48Å; L353-S357 VanDerWaalsContact O-CB 3.27Å; L353-S357 WeakPolarHBondContact O-CB 3.32Å; L353-S357 PolarHBondContact O-N 2.72Å; L353-S357 PolarHBondContact O-OG 2.94Å
354K92.9Very high94.1Very high110 Ų11082.3 Ų82.348%0.47842%0.418SS..Hα-helixtrans-62.4-44.8174.3-76.1172.5-177.7175.20111.4Y187 Q350 A351 E352 S357 A358Y187-K354 HydrophobicContact CD1-CG 4.28Å; Y187-K354 HydrophobicContact CE1-CD 4.25Å; Y187-K354 HydrophobicContact CE1-CG 3.54Å; Q350-K354 VanDerWaalsContact O-CG 3.29Å; Q350-K354 WeakPolarHBondContact O-CG 3.47Å; Q350-K354 PolarHBondContact O-N 3.46Å; A351-K354 PolarHBondContact O-N 3.26Å; E352-K354 PolarHBondContact O-N 2.9Å; K354-S357 PolarHBondContact O-N 3.29Å; K354-A358 WeakPolarHBondContact O-CB 3.08Å; K354-A358 PolarHBondContact O-N 3.32Å
355A95.3Very high94.5Very high65 Ų6584.9 Ų84.954%0.53742%0.423SS..Hα-helixtrans-63.2-44.917800000112A351 E352 A358 H359A351-A355 PolarHBondContact O-N 2.98Å; E352-A355 PolarHBondContact O-N 2.88Å; A355-A358 PolarHBondContact O-N 2.98Å; A355-H359 WeakPolarHBondContact O-CB 3.46Å; A355-H359 PolarHBondContact O-N 2.9Å
356L95.3Very high94.8Very high103 Ų10384.9 Ų84.954%0.53943%0.425SS..Hα-helixtrans-63.3-43.2175.9-72.3173.2000112E352 L353 H359 N360E352-L356 WeakPolarHBondContact O-CG 3.07Å; E352-L356 PolarHBondContact O-N 2.87Å; L353-L356 PolarHBondContact O-N 3.48Å; L356-H359 PolarHBondContact O-N 3.41Å; L356-N360 WeakPolarHBondContact O-CB 3.43Å; L356-N360 PolarHBondContact O-N 2.65Å; L356-N360 PolarHBondContact O-ND2 3.43Å
357S92.4Very high95.1Very high37 Ų3785.8 Ų85.826%0.25943%0.43SS..Hα-helixtrans-64.1-42.3178.8-58.90000111.5L353 K354 N360 R361L353-S357 VanDerWaalsContact O-CB 3.27Å; L353-S357 WeakPolarHBondContact O-CB 3.32Å; L353-S357 PolarHBondContact O-N 2.72Å; L353-S357 PolarHBondContact O-OG 2.94Å; K354-S357 PolarHBondContact O-N 3.29Å; S357-N360 PolarHBondContact O-N 3.31Å; S357-R361 WeakPolarHBondContact O-CB 3.32Å; S357-R361 PolarHBondContact O-N 2.91Å
358A93.1Very high95.4Very high57 Ų5781.2 Ų81.247%0.47141%0.414SS..Hα-helixtrans-62.1-46173.700000112K354 A355 R361 T362K354-A358 WeakPolarHBondContact O-CB 3.08Å; K354-A358 PolarHBondContact O-N 3.32Å; A355-A358 PolarHBondContact O-N 2.98Å; A358-R361 PolarHBondContact O-N 3.29Å; A358-T362 PolarHBondContact O-N 3.47Å; A358-T362 PolarHBondContact O-OG1 3.24Å
359H96.9Very high95.6Very high105 Ų10582 Ų8249%0.48641%0.414SS..Hα-helixtrans-59.9-48.2176.4-176.978.8000112A355 L356 R361 T362 K363A355-H359 WeakPolarHBondContact O-CB 3.46Å; A355-H359 PolarHBondContact O-N 2.9Å; L356-H359 PolarHBondContact O-N 3.41Å; H359-R361 VanDerWaalsContact C-N 3.3Å; H359-R361 PolarHBondContact O-N 3.06Å; H359-T362 WeakPolarHBondContact O-CB 3.35Å; H359-T362 PolarHBondContact O-N 3.24Å; H359-K363 WeakPolarHBondContact O-CG 3.34Å; H359-K363 PolarHBondContact O-N 3.01Å
360N95.2Very high95.7Very high84 Ų8479.2 Ų79.245%0.44941%0.41SS..Hα-helixtrans-60.8-39.9178.6-73-17.3000111.6L356 S357 K363 K364L356-N360 WeakPolarHBondContact O-CB 3.43Å; L356-N360 PolarHBondContact O-N 2.65Å; L356-N360 PolarHBondContact O-ND2 3.43Å; S357-N360 PolarHBondContact O-N 3.31Å; N360-K363 PolarHBondContact O-N 3.41Å; N360-K364 WeakPolarHBondContact O-CB 3.47Å; N360-K364 VanDerWaalsContact O-CG 3.29Å; N360-K364 WeakPolarHBondContact O-CG 3.38Å; N360-K364 PolarHBondContact O-N 3.09Å
361R94.8Very high95.9Very high127 Ų12778.4 Ų78.448%0.47941%0.407SS..Hα-helixtrans-62.8-43.9175.7-172.7175.7179.7168.71.3111.8L177 S357 A358 H359 K364 H365L177-R361 HydrophobicContact CD2-CG 4.07Å; S357-R361 WeakPolarHBondContact O-CB 3.32Å; S357-R361 PolarHBondContact O-N 2.91Å; A358-R361 PolarHBondContact O-N 3.29Å; H359-R361 VanDerWaalsContact C-N 3.3Å; H359-R361 PolarHBondContact O-N 3.06Å; R361-K364 PolarHBondContact O-N 3.45Å; R361-H365 PolarHBondContact O-CD2 3.08Å; R361-H365 PolarHBondContact O-N 3.05Å
362T96.8Very high96Very high80 Ų8080.5 Ų80.549%0.49141%0.406SS..Hα-helixtrans-59.4-47.3174.2-58.70000111.2A358 H359 K364 H365 D366A358-T362 PolarHBondContact O-N 3.47Å; A358-T362 PolarHBondContact O-OG1 3.24Å; H359-T362 WeakPolarHBondContact O-CB 3.35Å; H359-T362 PolarHBondContact O-N 3.24Å; T362-K364 PolarHBondContact O-N 2.94Å; T362-H365 WeakPolarHBondContact O-CB 3.38Å; T362-H365 PolarHBondContact O-N 2.7Å; T362-H365 VanDerWaalsContact O-N 3.14Å; T362-D366 PolarHBondContact O-N 2.89Å
363K97.6Very high96Very high113 Ų11381 Ų8149%0.49141%0.408SS..Hα-helixtrans-62.6-39.1178.1-68.5-60.1-176.8-173.40113.3H359 N360 D366 L367H359-K363 WeakPolarHBondContact O-CG 3.34Å; H359-K363 PolarHBondContact O-N 3.01Å; N360-K363 PolarHBondContact O-N 3.41Å; K363-D366 PolarHBondContact O-N 3.12Å; K363-L367 WeakPolarHBondContact O-CB 3.28Å; K363-L367 PolarHBondContact O-N 3.07Å
364K96.8Very high96.1Very high72 Ų7279.9 Ų79.931%0.31340%0.401SS..Hα-helixtrans-63.9-39.5173.4-72.9171.8177.3-177.70111.8L176 L177 N360 R361 T362 L367 L368L176-K364 HydrophobicContact CB-CD 4.29Å; L176-K364 PolarHBondContact O-NZ 3.42Å; L177-K364 HydrophobicContact CD2-CB 3.59Å; L177-K364 HydrophobicContact CD2-CD 4.49Å; L177-K364 HydrophobicContact CG-CB 3.91Å; N360-K364 WeakPolarHBondContact O-CB 3.47Å; N360-K364 VanDerWaalsContact O-CG 3.29Å; N360-K364 WeakPolarHBondContact O-CG 3.38Å; N360-K364 PolarHBondContact O-N 3.09Å; R361-K364 PolarHBondContact O-N 3.45Å; T362-K364 PolarHBondContact O-N 2.94Å; K364-L367 PolarHBondContact O-N 3.25Å; K364-L368 WeakPolarHBondContact O-CB 3.44Å; K364-L368 PolarHBondContact O-N 2.98Å
365H97.3Very high96.3Very high92 Ų9276.5 Ų76.543%0.42639%0.389SS..Hα-helixtrans-63.2-45.2174-89.8-63.7000112.1R361 T362 L367 L368 R369R361-H365 PolarHBondContact O-CD2 3.08Å; R361-H365 PolarHBondContact O-N 3.05Å; T362-H365 WeakPolarHBondContact O-CB 3.38Å; T362-H365 PolarHBondContact O-N 2.7Å; T362-H365 VanDerWaalsContact O-N 3.14Å; H365-L367 VanDerWaalsContact C-N 3.34Å; H365-L367 PolarHBondContact O-N 2.93Å; H365-L368 PolarHBondContact O-N 3.46Å; H365-R369 PolarHBondContact O-N 3.43Å
366D98.1Very high96.3Very high65 Ų6576.3 Ų76.335%0.34838%0.384SS..Hα-helixtrans-60.2-45175.9-70.1-25.4000111.3T362 K363 R369 L370T362-D366 PolarHBondContact O-N 2.89Å; K363-D366 PolarHBondContact O-N 3.12Å; D366-R369 WeakPolarHBondContact O-CB 3.47Å; D366-R369 PolarHBondContact O-N 3.38Å; D366-L370 WeakPolarHBondContact O-CG 3.39Å; D366-L370 PolarHBondContact O-N 3.06Å
367L97.4Very high96.3Very high91 Ų9176.1 Ų76.148%0.47638%0.376SS..Hα-helixtrans-63.7-41.5178.1-174.560.9000111.8L173 K363 K364 H365 R369 L370 A371L173-L367 HydrophobicContact CD1-CD2 4.29Å; L173-L367 HydrophobicContact CD1-CG 3.95Å; L173-L367 HydrophobicContact CD2-CD2 3.59Å; L173-L367 HydrophobicContact CD2-CG 4.1Å; K363-L367 WeakPolarHBondContact O-CB 3.28Å; K363-L367 PolarHBondContact O-N 3.07Å; K364-L367 PolarHBondContact O-N 3.25Å; H365-L367 VanDerWaalsContact C-N 3.34Å; H365-L367 PolarHBondContact O-N 2.93Å; L367-R369 VanDerWaalsContact C-N 3.34Å; L367-R369 PolarHBondContact O-N 3.44Å; L367-L370 PolarHBondContact O-N 3.37Å; L367-A371 VanDerWaalsContact O-CB 3.31Å; L367-A371 WeakPolarHBondContact O-CB 3.31Å; L367-A371 PolarHBondContact O-N 3.17Å
368L97.6Very high96.4Very high18 Ų1875.3 Ų75.39%0.09437%0.368CS..Hα-helixtrans-62-41.3175.4178.862.9000111.8V170 L173 E174 L177 K364 H365 A371 K372V170-L368 HydrophobicContact CG1-CD1 3.87Å; L173-L368 HydrophobicContact CB-CD1 4.02Å; E174-L368 HydrophobicContact CG-CD1 3.73Å; E174-L368 HydrophobicContact CG-CD2 3.84Å; E174-L368 HydrophobicContact CG-CG 4.47Å; L177-L368 HydrophobicContact CD1-CB 4.16Å; L177-L368 HydrophobicContact CD1-CD2 3.57Å; L177-L368 HydrophobicContact CD1-CG 4.48Å; K364-L368 WeakPolarHBondContact O-CB 3.44Å; K364-L368 PolarHBondContact O-N 2.98Å; H365-L368 PolarHBondContact O-N 3.46Å; L368-A371 PolarHBondContact O-N 3.25Å; L368-K372 HydrophobicContact CD1-CD 4.35Å; L368-K372 HydrophobicContact CD1-CG 4.42Å; L368-K372 HydrophobicContact CG-CD 4.36Å; L368-K372 WeakPolarHBondContact O-CG 3.32Å; L368-K372 PolarHBondContact O-N 3.28Å
369R97.7Very high96.6Very high119 Ų11977.5 Ų77.545%0.44937%0.368SS..Hα-helixtrans-61-50.8175.8-177.9-172.359.571.55110.7H365 D366 L367 A371 K372 E373H365-R369 PolarHBondContact O-N 3.43Å; D366-R369 WeakPolarHBondContact O-CB 3.47Å; D366-R369 PolarHBondContact O-N 3.38Å; L367-R369 VanDerWaalsContact C-N 3.34Å; L367-R369 PolarHBondContact O-N 3.44Å; R369-A371 VanDerWaalsContact C-N 3.33Å; R369-A371 PolarHBondContact O-N 3.23Å; R369-K372 PolarHBondContact O-N 2.94Å; R369-E373 WeakPolarHBondContact CG-OE1 3.45Å; R369-E373 IonicContact CZ-OE1 3.43Å; R369-E373 IonicContact NH1-OE1 2.89Å; R369-E373 PolarHBondContact NH1-OE1 2.8Å; R369-E373 IonicContact NH1-OE2 3.8Å; R369-E373 PolarHBondContact NH1-OE2 3.45Å; R369-E373 WeakPolarHBondContact O-CG 3.27Å; R369-E373 PolarHBondContact O-N 3.41Å
370L97.3Very high96.6Very high86 Ų8673.3 Ų73.345%0.4535%0.35SS..Hα-helixtrans-60.7-41.3178.2-69.7172.2000112.1D366 L367 K372 E373 E374D366-L370 WeakPolarHBondContact O-CG 3.39Å; D366-L370 PolarHBondContact O-N 3.06Å; L367-L370 PolarHBondContact O-N 3.37Å; L370-K372 PolarHBondContact O-N 3.1Å; L370-E373 PolarHBondContact O-N 3.11Å; L370-E374 WeakPolarHBondContact O-CB 3.29Å; L370-E374 PolarHBondContact O-N 2.86Å
371A97.2Very high96.6Very high6 Ų672.6 Ų72.65%0.0534%0.34CS..Hα-helixtrans-62.6-42.717700000111.8I165 V170 L173 L367 L368 R369 E374 V375I165-A371 HydrophobicContact CD1-CB 4.16Å; I165-A371 HydrophobicContact CG2-CB 4.47Å; V170-A371 HydrophobicContact CG2-CB 4.3Å; L173-A371 HydrophobicContact CD1-CB 3.98Å; L367-A371 VanDerWaalsContact O-CB 3.31Å; L367-A371 WeakPolarHBondContact O-CB 3.31Å; L367-A371 PolarHBondContact O-N 3.17Å; L368-A371 PolarHBondContact O-N 3.25Å; R369-A371 VanDerWaalsContact C-N 3.33Å; R369-A371 PolarHBondContact O-N 3.23Å; A371-E374 PolarHBondContact O-N 2.86Å; A371-V375 VanDerWaalsContact O-CG2 3.31Å; A371-V375 WeakPolarHBondContact O-CG2 3.36Å; A371-V375 PolarHBondContact O-N 2.98Å
372K96.9Very high96.7Very high101 Ų10171.7 Ų71.744%0.43934%0.342SS..Hα-helixtrans-65.5-41.3176.1-74.8179.8174.4177.90112.6V170 E174 L368 R369 L370 E374 S376V170-K372 HydrophobicContact CG1-CG 4.23Å; E174-K372 VanDerWaalsContact OE1-CE 3.24Å; E174-K372 WeakPolarHBondContact OE1-CE 3.47Å; E174-K372 IonicContact OE1-NZ 3.19Å; E174-K372 PolarHBondContact OE1-NZ 3.11Å; L368-K372 HydrophobicContact CD1-CD 4.35Å; L368-K372 HydrophobicContact CD1-CG 4.42Å; L368-K372 HydrophobicContact CG-CD 4.36Å; L368-K372 WeakPolarHBondContact O-CG 3.32Å; L368-K372 PolarHBondContact O-N 3.28Å; R369-K372 PolarHBondContact O-N 2.94Å; L370-K372 PolarHBondContact O-N 3.1Å; K372-E374 VanDerWaalsContact C-N 3.34Å; K372-S376 PolarHBondContact O-N 3.13Å; K372-S376 VanDerWaalsContact O-N 3.15Å
373E95.8Very high96.7Very high92 Ų9272.4 Ų72.443%0.4334%0.335SS..Hα-helixtrans-61.3-43.9173.7-74.5168.8-16900111.2R369 L370 S376 R377R369-E373 WeakPolarHBondContact CG-OE1 3.45Å; R369-E373 IonicContact CZ-OE1 3.43Å; R369-E373 IonicContact NH1-OE1 2.89Å; R369-E373 PolarHBondContact NH1-OE1 2.8Å; R369-E373 IonicContact NH1-OE2 3.8Å; R369-E373 PolarHBondContact NH1-OE2 3.45Å; R369-E373 WeakPolarHBondContact O-CG 3.27Å; R369-E373 PolarHBondContact O-N 3.41Å; L370-E373 PolarHBondContact O-N 3.11Å; E373-S376 WeakPolarHBondContact O-CB 3.3Å; E373-S376 PolarHBondContact O-N 3.38Å; E373-R377 WeakPolarHBondContact O-CG 3.32Å; E373-R377 PolarHBondContact O-N 3.45Å
374E95.8Very high96.6Very high55 Ų5567.7 Ų67.726%0.25732%0.316SS..Hα-helixtrans-69.4-37179.8-178.852.8-147.900112.7I165 L370 A371 K372 S376 R377 Q378 R381I165-E374 HydrophobicContact CD1-CB 3.83Å; I165-E374 HydrophobicContact CD1-CG 3.71Å; I165-E374 HydrophobicContact CG1-CG 4.31Å; L370-E374 WeakPolarHBondContact O-CB 3.29Å; L370-E374 PolarHBondContact O-N 2.86Å; A371-E374 PolarHBondContact O-N 2.86Å; K372-E374 VanDerWaalsContact C-N 3.34Å; E374-S376 VanDerWaalsContact C-N 3.31Å; E374-S376 PolarHBondContact O-N 2.91Å; E374-R377 CarbonylContact O-C 3.56Å; E374-R377 WeakPolarHBondContact O-CA 3.23Å; E374-R377 WeakPolarHBondContact O-CB 3.16Å; E374-R377 PolarHBondContact O-N 2.91Å; E374-R377 VanDerWaalsContact O-N 3.12Å; E374-R377 IonicContact OE2-NE 2.86Å; E374-Q378 WeakPolarHBondContact O-CG 3.46Å; E374-Q378 PolarHBondContact O-N 2.78Å; E374-R381 IonicContact OE1-CZ 2.77Å; E374-R381 IonicContact OE1-NH1 2.74Å; E374-R381 PolarHBondContact OE1-NH1 2.85Å; E374-R381 IonicContact OE1-NH2 3.17Å; E374-R381 PolarHBondContact OE1-NH2 3.24Å; E374-R381 IonicContact OE2-NH1 2.71Å
375V96.5Very high96.6Very high39 Ų3970.6 Ų70.624%0.23633%0.325CS..Hα-helixtrans-59.1-43.2170.8168.40000110.9I165 V170 A371 R377 Q378 E379I165-V375 HydrophobicContact CB-CG2 4.17Å; I165-V375 HydrophobicContact CG2-CG2 3.95Å; V170-V375 HydrophobicContact CG2-CG2 4.01Å; A371-V375 VanDerWaalsContact O-CG2 3.31Å; A371-V375 WeakPolarHBondContact O-CG2 3.36Å; A371-V375 PolarHBondContact O-N 2.98Å; V375-R377 VanDerWaalsContact C-N 3.33Å; V375-R377 PolarHBondContact O-N 2.73Å; V375-Q378 WeakPolarHBondContact O-CB 3.34Å; V375-Q378 PolarHBondContact O-N 3.38Å; V375-E379 WeakPolarHBondContact O-CG 3.25Å; V375-E379 PolarHBondContact O-N 3.32Å
376S95.2Very high96.6Very high60 Ų6071.2 Ų71.242%0.4233%0.329SS..Hα-helixtrans-61.7-40.2173.9-178.50000112.2K372 E373 E374 E379 L380K372-S376 PolarHBondContact O-N 3.13Å; K372-S376 VanDerWaalsContact O-N 3.15Å; E373-S376 WeakPolarHBondContact O-CB 3.3Å; E373-S376 PolarHBondContact O-N 3.38Å; E374-S376 VanDerWaalsContact C-N 3.31Å; E374-S376 PolarHBondContact O-N 2.91Å; S376-E379 PolarHBondContact O-N 3.49Å; S376-L380 PolarHBondContact O-N 3.34Å; S376-L380 VanDerWaalsContact O-N 3.15Å
377R95.4Very high96.6Very high99 Ų9968.3 Ų68.337%0.37431%0.314SS..Hα-helixtrans-65.4-37.6173.8-70.4179.96985.14.4112.3E373 E374 V375 L380 R381 L430E373-R377 WeakPolarHBondContact O-CG 3.32Å; E373-R377 PolarHBondContact O-N 3.45Å; E374-R377 CarbonylContact O-C 3.56Å; E374-R377 WeakPolarHBondContact O-CA 3.23Å; E374-R377 WeakPolarHBondContact O-CB 3.16Å; E374-R377 PolarHBondContact O-N 2.91Å; E374-R377 VanDerWaalsContact O-N 3.12Å; E374-R377 IonicContact OE2-NE 2.86Å; V375-R377 VanDerWaalsContact C-N 3.33Å; V375-R377 PolarHBondContact O-N 2.73Å; R377-L380 WeakPolarHBondContact O-CB 3.49Å; R377-L380 PolarHBondContact O-N 2.87Å; R377-R381 WeakPolarHBondContact O-CG 3.4Å; R377-R381 PolarHBondContact O-N 3.27Å; R377-L430 PolarHBondContact NH1-O 2.81Å; R377-L430 PolarHBondContact NH2-O 3.23Å
378Q96Very high96.6Very high21 Ų2166.5 Ų66.510%0.09831%0.305CS..Hα-helixtrans-62.7-43174.9-74.3166.711.400112.1D164 I165 E374 V375 L380 R381 Q382D164-Q378 HydrophobicContact CB-CG 4.25Å; D164-Q378 WeakPolarHBondContact OD1-CG 3.49Å; I165-Q378 PolarHBondContact O-OE1 2.74Å; I165-Q378 VanDerWaalsContact O-OE1 3.08Å; E374-Q378 WeakPolarHBondContact O-CG 3.46Å; E374-Q378 PolarHBondContact O-N 2.78Å; V375-Q378 WeakPolarHBondContact O-CB 3.34Å; V375-Q378 PolarHBondContact O-N 3.38Å; Q378-L380 VanDerWaalsContact C-N 3.29Å; Q378-L380 PolarHBondContact O-N 2.98Å; Q378-R381 PolarHBondContact O-N 3.23Å; Q378-Q382 WeakPolarHBondContact O-CB 3.42Å; Q378-Q382 PolarHBondContact O-N 3.05Å
379E95.9Very high96.6Very high103 Ų10370.4 Ų70.448%0.48133%0.326SS..Hα-helixtrans-60.4-40.2174.8-69.9179.1175.200111.5V375 S376 Q382 R383V375-E379 WeakPolarHBondContact O-CG 3.25Å; V375-E379 PolarHBondContact O-N 3.32Å; S376-E379 PolarHBondContact O-N 3.49Å; E379-Q382 PolarHBondContact O-N 3.4Å; E379-R383 WeakPolarHBondContact O-CB 3.47Å; E379-R383 WeakPolarHBondContact O-CG 3.4Å; E379-R383 PolarHBondContact O-N 2.82Å; E379-R383 PolarHBondContact O-NE 3.35Å
380L96.3Very high96.6Very high17 Ų1768.5 Ų68.59%0.08932%0.322CS..Hα-helixtrans-62.3-48.4172.6-75.7165.3000111.3S376 R377 Q378 Q382 R383 V384 I426 L429 L430S376-L380 PolarHBondContact O-N 3.34Å; S376-L380 VanDerWaalsContact O-N 3.15Å; R377-L380 WeakPolarHBondContact O-CB 3.49Å; R377-L380 PolarHBondContact O-N 2.87Å; Q378-L380 VanDerWaalsContact C-N 3.29Å; Q378-L380 PolarHBondContact O-N 2.98Å; L380-Q382 VanDerWaalsContact C-N 3.31Å; L380-Q382 PolarHBondContact O-N 3.09Å; L380-R383 WeakPolarHBondContact O-CB 3.41Å; L380-R383 PolarHBondContact O-N 2.9Å; L380-R383 VanDerWaalsContact O-N 3.12Å; L380-V384 WeakPolarHBondContact O-CG2 3.42Å; L380-V384 PolarHBondContact O-N 3.32Å; L380-I426 HydrophobicContact CD2-CG2 4.01Å; L380-L429 HydrophobicContact CD1-CB 4.41Å; L380-L429 HydrophobicContact CD2-CB 3.78Å; L380-L429 HydrophobicContact CD2-CD1 4.19Å; L380-L430 HydrophobicContact CB-CD1 3.75Å; L380-L430 HydrophobicContact CD1-CD1 4.38Å
381R96.3Very high96.6Very high68 Ų6865.7 Ų65.726%0.25731%0.309SS..Hα-helixtrans-59.9-39.7176.9-69.8-168.4-59.6-99.514.6112.2D164 E374 R377 Q378 V384 R385 L430D164-R381 IonicContact OD1-NH2 3.02Å; D164-R381 PolarHBondContact OD1-NH2 2.67Å; E374-R381 IonicContact OE1-CZ 2.77Å; E374-R381 IonicContact OE1-NH1 2.74Å; E374-R381 PolarHBondContact OE1-NH1 2.85Å; E374-R381 IonicContact OE1-NH2 3.17Å; E374-R381 PolarHBondContact OE1-NH2 3.24Å; E374-R381 IonicContact OE2-NH1 2.71Å; R377-R381 WeakPolarHBondContact O-CG 3.4Å; R377-R381 PolarHBondContact O-N 3.27Å; Q378-R381 PolarHBondContact O-N 3.23Å; R381-V384 PolarHBondContact O-N 3.32Å; R381-R385 WeakPolarHBondContact O-CG 3.45Å; R381-R385 PolarHBondContact O-N 2.77Å; R381-L430 HydrophobicContact CG-CD1 3.86Å; R381-L430 HydrophobicContact CG-CD2 4.09Å
382Q96.4Very high96.6Very high108 Ų10870.1 Ų70.151%0.50533%0.329SS..Hα-helixtrans-63-43.7174.2-174.4177.5300111.5Q378 E379 L380 R385 M386Q378-Q382 WeakPolarHBondContact O-CB 3.42Å; Q378-Q382 PolarHBondContact O-N 3.05Å; E379-Q382 PolarHBondContact O-N 3.4Å; L380-Q382 VanDerWaalsContact C-N 3.31Å; L380-Q382 PolarHBondContact O-N 3.09Å; Q382-R385 PolarHBondContact O-N 2.89Å; Q382-M386 WeakPolarHBondContact O-CG 3.41Å; Q382-M386 PolarHBondContact O-N 3.45Å
383R96.9Very high96.6Very high96 Ų9668.5 Ų68.536%0.36233%0.326SS..Hα-helixtrans-62.7-39.9175-77.3-178.5-84.8136.8-9.1112.5E379 L380 M386 A387 I426E379-R383 WeakPolarHBondContact O-CB 3.47Å; E379-R383 WeakPolarHBondContact O-CG 3.4Å; E379-R383 PolarHBondContact O-N 2.82Å; E379-R383 PolarHBondContact O-NE 3.35Å; L380-R383 WeakPolarHBondContact O-CB 3.41Å; L380-R383 PolarHBondContact O-N 2.9Å; L380-R383 VanDerWaalsContact O-N 3.12Å; R383-M386 PolarHBondContact O-N 3.31Å; R383-A387 PolarHBondContact O-N 2.83Å; R383-I426 HydrophobicContact CB-CD1 4.09Å; R383-I426 HydrophobicContact CB-CG2 4.13Å
384V96.7Very high96.7Very high14 Ų1464.5 Ų64.59%0.08531%0.308CS..Hα-helixtrans-59.1-48.4172.4175.60000110.6L380 R381 M386 A387 D388 I426 L427L380-V384 WeakPolarHBondContact O-CG2 3.42Å; L380-V384 PolarHBondContact O-N 3.32Å; R381-V384 PolarHBondContact O-N 3.32Å; V384-M386 VanDerWaalsContact C-N 3.28Å; V384-M386 PolarHBondContact O-N 3.33Å; V384-A387 PolarHBondContact O-N 3.29Å; V384-A387 VanDerWaalsContact O-N 3.15Å; V384-D388 WeakPolarHBondContact O-CB 3.28Å; V384-D388 PolarHBondContact O-N 2.97Å; V384-I426 HydrophobicContact CG2-CB 4.07Å; V384-I426 HydrophobicContact CG2-CG2 3.39Å; V384-L427 HydrophobicContact CG1-CD2 3.99Å; V384-L427 HydrophobicContact CG2-CD2 4.06Å; V384-L427 HydrophobicContact CG2-CG 4.48Å
385R96.9Very high96.7Very high133 Ų13367.4 Ų67.450%0.50232%0.32SS..Hα-helixtrans-58.4-38.8177.7-72.2-174.8-72.2-144.91112.4R381 Q382 N389R381-R385 WeakPolarHBondContact O-CG 3.45Å; R381-R385 PolarHBondContact O-N 2.77Å; Q382-R385 PolarHBondContact O-N 2.89Å; R385-N389 PolarHBondContact O-N 2.87Å; R385-N389 VanDerWaalsContact O-N 3.14Å; R385-N389 PolarHBondContact O-ND2 3.3Å
386M97.1Very high96.7Very high104 Ų10472.4 Ų72.451%0.51234%0.335SS..Hα-helixtrans-65.7-47.9175-69.6175.462.600111.4Q382 R383 V384 D388 N389 E390Q382-M386 WeakPolarHBondContact O-CG 3.41Å; Q382-M386 PolarHBondContact O-N 3.45Å; R383-M386 PolarHBondContact O-N 3.31Å; V384-M386 VanDerWaalsContact C-N 3.28Å; V384-M386 PolarHBondContact O-N 3.33Å; M386-D388 VanDerWaalsContact C-N 3.33Å; M386-D388 PolarHBondContact O-N 3.12Å; M386-N389 WeakPolarHBondContact O-CB 3.39Å; M386-N389 PolarHBondContact O-N 3.4Å; M386-E390 PolarHBondContact O-N 3.24Å
387A96.9Very high96.7Very high4 Ų475.6 Ų75.63%0.03334%0.341CS..Hα-helixtrans-62.2-38.3177.300000112.3R383 V384 E390 V391 R423 I426R383-A387 PolarHBondContact O-N 2.83Å; V384-A387 PolarHBondContact O-N 3.29Å; V384-A387 VanDerWaalsContact O-N 3.15Å; A387-E390 PolarHBondContact O-N 3.17Å; A387-V391 VanDerWaalsContact O-CG2 3.32Å; A387-V391 WeakPolarHBondContact O-CG2 3.4Å; A387-V391 PolarHBondContact O-N 3.42Å; A387-R423 HydrophobicContact CB-CB 4.01Å; A387-R423 HydrophobicContact CB-CG 4.45Å; A387-I426 HydrophobicContact CB-CD1 4.07Å
388D97.7Very high96.8Very high53 Ų5372.3 Ų72.328%0.28333%0.331SS..Hα-helixtrans-60-45.2173.8-78.4-26.1000111.7V384 M386 E390 V391 M392 R423V384-D388 WeakPolarHBondContact O-CB 3.28Å; V384-D388 PolarHBondContact O-N 2.97Å; M386-D388 VanDerWaalsContact C-N 3.33Å; M386-D388 PolarHBondContact O-N 3.12Å; D388-E390 VanDerWaalsContact C-N 3.33Å; D388-E390 PolarHBondContact O-N 3.43Å; D388-V391 PolarHBondContact O-N 3.03Å; D388-M392 WeakPolarHBondContact O-CG 3.33Å; D388-M392 PolarHBondContact O-N 3.42Å; D388-R423 WeakPolarHBondContact OD1-CD 3.37Å; D388-R423 IonicContact OD1-CZ 3.72Å; D388-R423 IonicContact OD1-NE 2.78Å; D388-R423 PolarHBondContact OD1-NE 3.1Å; D388-R423 IonicContact OD1-NH2 2.91Å; D388-R423 PolarHBondContact OD1-NH2 2.94Å
389N98Very high96.7Very high100 Ų10074.5 Ų74.554%0.53534%0.342SS..Hα-helixtrans-61.6-42175.7-73.9-38.7000111.7R385 M386 M392 D393R385-N389 PolarHBondContact O-N 2.87Å; R385-N389 VanDerWaalsContact O-N 3.14Å; R385-N389 PolarHBondContact O-ND2 3.3Å; M386-N389 WeakPolarHBondContact O-CB 3.39Å; M386-N389 PolarHBondContact O-N 3.4Å; N389-M392 PolarHBondContact O-N 3.02Å; N389-D393 PolarHBondContact O-N 3.43Å
390E97.4Very high96.7Very high79 Ų7971.4 Ų71.437%0.36933%0.334SS..Hα-helixtrans-65.3-39.6176.8-70.4-172.3-16100112.7M386 A387 D388 M392 D393 A394 T419M386-E390 PolarHBondContact O-N 3.24Å; A387-E390 PolarHBondContact O-N 3.17Å; D388-E390 VanDerWaalsContact C-N 3.33Å; D388-E390 PolarHBondContact O-N 3.43Å; E390-M392 VanDerWaalsContact C-N 3.35Å; E390-D393 PolarHBondContact O-N 3.21Å; E390-A394 WeakPolarHBondContact O-CB 3.3Å; E390-A394 PolarHBondContact O-N 2.89Å; E390-T419 HydrophobicContact CB-CG2 3.85Å
391V97.6Very high96.6Very high28 Ų2870.8 Ų70.817%0.1733%0.331CS..Hα-helixtrans-61.6-44.2173.3168.30000110.5A387 D388 D393 A394 F395 L420A387-V391 VanDerWaalsContact O-CG2 3.32Å; A387-V391 WeakPolarHBondContact O-CG2 3.4Å; A387-V391 PolarHBondContact O-N 3.42Å; D388-V391 PolarHBondContact O-N 3.03Å; V391-D393 PolarHBondContact O-N 3.35Å; V391-A394 PolarHBondContact O-N 2.74Å; V391-F395 WeakPolarHBondContact O-CB 3.47Å; V391-F395 PolarHBondContact O-N 2.75Å; V391-L420 HydrophobicContact CG1-CD2 3.94Å; V391-L420 HydrophobicContact CG2-CD2 4.04Å; V391-L420 HydrophobicContact CG2-CG 4.38Å
392M97.3Very high96.5Very high98 Ų9875.2 Ų75.248%0.48335%0.348SS..Hα-helixtrans-64.9-38.6177-71.9-59.6-70.800112.5D388 N389 E390 F395 R396D388-M392 WeakPolarHBondContact O-CG 3.33Å; D388-M392 PolarHBondContact O-N 3.42Å; N389-M392 PolarHBondContact O-N 3.02Å; E390-M392 VanDerWaalsContact C-N 3.35Å; M392-F395 PolarHBondContact O-N 2.86Å; M392-R396 WeakPolarHBondContact O-CB 3.46Å; M392-R396 WeakPolarHBondContact O-CG 3.44Å; M392-R396 PolarHBondContact O-N 2.96Å
393D97.2Very high96.5Very high67 Ų6777.5 Ų77.536%0.35836%0.359SS..Hα-helixtrans-67.3-40.5174.8-79.4-9.1000111.8N389 E390 V391 R396 K397N389-D393 PolarHBondContact O-N 3.43Å; E390-D393 PolarHBondContact O-N 3.21Å; V391-D393 PolarHBondContact O-N 3.35Å; D393-R396 PolarHBondContact O-N 3.16Å; D393-R396 IonicContact OD1-CZ 3.18Å; D393-R396 IonicContact OD1-NH1 2.8Å; D393-R396 PolarHBondContact OD1-NH1 2.8Å; D393-R396 IonicContact OD1-NH2 3.82Å; D393-R396 PolarHBondContact OD1-NH2 3.45Å; D393-K397 WeakPolarHBondContact O-CG 3.4Å; D393-K397 PolarHBondContact O-N 3.2Å
394A96.6Very high96.4Very high8 Ų881 Ų817%0.06638%0.376CS..Hα-helixtrans-63.3-42.617400000111.5E390 V391 K397 I398 A416E390-A394 WeakPolarHBondContact O-CB 3.3Å; E390-A394 PolarHBondContact O-N 2.89Å; V391-A394 PolarHBondContact O-N 2.74Å; A394-K397 PolarHBondContact O-N 3.45Å; A394-I398 WeakPolarHBondContact O-CG1 3.37Å; A394-I398 PolarHBondContact O-N 3.04Å; A394-A416 HydrophobicContact CB-CB 3.89Å
395F96.4Very high96.2Very high116 Ų11690.1 Ų90.151%0.50942%0.415SS..Hα-helixtrans-60.2-47.8173.7178-100.4000111.6V391 M392 K397 I398 M399V391-F395 WeakPolarHBondContact O-CB 3.47Å; V391-F395 PolarHBondContact O-N 2.75Å; M392-F395 PolarHBondContact O-N 2.86Å; F395-K397 VanDerWaalsContact C-N 3.33Å; F395-K397 PolarHBondContact O-N 2.85Å; F395-I398 PolarHBondContact O-N 3.24Å; F395-M399 HydrophobicContact CD1-CG 4.13Å; F395-M399 HydrophobicContact CD2-CG 4.31Å; F395-M399 HydrophobicContact CE1-CG 3.7Å; F395-M399 HydrophobicContact CE2-CG 3.9Å; F395-M399 HydrophobicContact CE2-SD 4.21Å; F395-M399 HydrophobicContact CG-CG 4.42Å; F395-M399 HydrophobicContact CZ-CG 3.58Å; F395-M399 HydrophobicContact CZ-SD 4.04Å; F395-M399 WeakPolarHBondContact O-CB 3.33Å; F395-M399 WeakPolarHBondContact O-CG 3.08Å; F395-M399 PolarHBondContact O-N 3.39Å
396R96.9Very high96.1Very high144 Ų14489 Ų8954%0.54341%0.411SS..Hα-helixtrans-58.4-42.1176.1-78.2-173.2-111.4131.16.1112M392 D393 M399 A400M392-R396 WeakPolarHBondContact O-CB 3.46Å; M392-R396 WeakPolarHBondContact O-CG 3.44Å; M392-R396 PolarHBondContact O-N 2.96Å; D393-R396 PolarHBondContact O-N 3.16Å; D393-R396 IonicContact OD1-CZ 3.18Å; D393-R396 IonicContact OD1-NH1 2.8Å; D393-R396 PolarHBondContact OD1-NH1 2.8Å; D393-R396 IonicContact OD1-NH2 3.82Å; D393-R396 PolarHBondContact OD1-NH2 3.45Å; R396-M399 PolarHBondContact O-N 3.47Å; R396-A400 WeakPolarHBondContact O-CB 3.24Å; R396-A400 PolarHBondContact O-N 3.09Å
397K95.9Very high95.8Very high128 Ų12889.2 Ų89.256%0.55742%0.418SS*.Hα-helixtrans-62.9-44.6175.6-73.5170.9-176.3169.40112.3D393 A394 F395 A400 A401D393-K397 WeakPolarHBondContact O-CG 3.4Å; D393-K397 PolarHBondContact O-N 3.2Å; A394-K397 PolarHBondContact O-N 3.45Å; F395-K397 VanDerWaalsContact C-N 3.33Å; F395-K397 PolarHBondContact O-N 2.85Å; K397-A400 PolarHBondContact O-N 3.04Å; K397-A401 PolarHBondContact O-N 3.29Å
398I95.6Very high95.6Very high30 Ų3089.8 Ų89.815%0.15442%0.421CS..Hα-helixtrans-63.2-44.2176.7-73.5171.9000111A394 F395 A401 R402 P408 A416A394-I398 WeakPolarHBondContact O-CG1 3.37Å; A394-I398 PolarHBondContact O-N 3.04Å; F395-I398 PolarHBondContact O-N 3.24Å; I398-A401 WeakPolarHBondContact O-CB 3.25Å; I398-A401 PolarHBondContact O-N 3.01Å; I398-R402 WeakPolarHBondContact O-CG 3.31Å; I398-R402 PolarHBondContact O-N 2.91Å; I398-P408 HydrophobicContact CB-CG 4.46Å; I398-P408 HydrophobicContact CG1-CB 4.31Å; I398-P408 HydrophobicContact CG1-CG 4.45Å; I398-P408 HydrophobicContact CG2-CG 3.86Å; I398-A416 HydrophobicContact CD1-CB 3.67Å
399M95.1Very high95.4Very high66 Ų6689.8 Ų89.833%0.32542%0.424SS..Hα-helixtrans-65.4-41.3178-72.5-57.9-68.900112F395 R396 A401 R402 Q403F395-M399 HydrophobicContact CD1-CG 4.13Å; F395-M399 HydrophobicContact CD2-CG 4.31Å; F395-M399 HydrophobicContact CE1-CG 3.7Å; F395-M399 HydrophobicContact CE2-CG 3.9Å; F395-M399 HydrophobicContact CE2-SD 4.21Å; F395-M399 HydrophobicContact CG-CG 4.42Å; F395-M399 HydrophobicContact CZ-CG 3.58Å; F395-M399 HydrophobicContact CZ-SD 4.04Å; F395-M399 WeakPolarHBondContact O-CB 3.33Å; F395-M399 WeakPolarHBondContact O-CG 3.08Å; F395-M399 PolarHBondContact O-N 3.39Å; R396-M399 PolarHBondContact O-N 3.47Å; M399-A401 VanDerWaalsContact C-N 3.32Å; M399-A401 PolarHBondContact O-N 3.2Å; M399-R402 PolarHBondContact O-N 3.35Å; M399-Q403 WeakPolarHBondContact O-CG 3.41Å; M399-Q403 PolarHBondContact O-N 3.37Å
400A95.8Very high95.3Very high39 Ų3992.8 Ų92.832%0.32243%0.432SS..Hα-helixtrans-62.4-37.6174.500000112.3R396 K397 K404R396-A400 WeakPolarHBondContact O-CB 3.24Å; R396-A400 PolarHBondContact O-N 3.09Å; K397-A400 PolarHBondContact O-N 3.04Å; A400-K404 WeakPolarHBondContact O-CG 3.32Å; A400-K404 PolarHBondContact O-N 3.5Å; A400-K404 VanDerWaalsContact O-N 3.17Å
401A94.9Very high95.2Very high3 Ų397.4 Ų97.43%0.02545%0.451CS..Hα-helixtrans-62.2-46.9173.100000111.2K397 I398 M399 Q403 K404 R406 P408K397-A401 PolarHBondContact O-N 3.29Å; I398-A401 WeakPolarHBondContact O-CB 3.25Å; I398-A401 PolarHBondContact O-N 3.01Å; M399-A401 VanDerWaalsContact C-N 3.32Å; M399-A401 PolarHBondContact O-N 3.2Å; A401-Q403 PolarHBondContact O-N 2.99Å; A401-K404 CarbonylContact O-C 3.15Å; A401-K404 PolarHBondContact O-N 3.19Å; A401-K404 VanDerWaalsContact O-N 3.17Å; A401-R406 CarbonylContact C-O 3.56Å; A401-R406 PolarHBondContact O-N 3.48Å; A401-P408 HydrophobicContact CB-CG 4.3Å
402R93.9Very high95.1Very high162 Ų16298.3 Ų98.361%0.61145%0.453SS*.Hα-helixtrans-61.7-41.3177.6-71.8178.4172.6-165.7-1.9112.6I398 M399 K404 K405 P408I398-R402 WeakPolarHBondContact O-CG 3.31Å; I398-R402 PolarHBondContact O-N 2.91Å; M399-R402 PolarHBondContact O-N 3.35Å; R402-K404 VanDerWaalsContact C-N 3.27Å; R402-K404 PolarHBondContact O-N 3.06Å; R402-K405 WeakPolarHBondContact O-CA 3.42Å; R402-K405 PolarHBondContact O-N 3.17Å; R402-P408 HydrophobicContact CG-CG 4.48Å
403Q95.1Very high95Very high155 Ų15598.9 Ų98.972%0.72445%0.453SS*.Hα-helixtrans-61.7-35175.4-76.1177-11.700112.3M399 A401 K405M399-Q403 WeakPolarHBondContact O-CG 3.41Å; M399-Q403 PolarHBondContact O-N 3.37Å; A401-Q403 PolarHBondContact O-N 2.99Å; Q403-K405 PolarHBondContact O-N 2.86Å
404K95.6Very high95Very high170 Ų17099.8 Ų99.874%0.73946%0.457SS*.THydrogen-bonded Turntrans-78.213.7173.5-66.9178.9-179.5-176.40113.5A400 A401 R402 R406A400-K404 WeakPolarHBondContact O-CG 3.32Å; A400-K404 PolarHBondContact O-N 3.5Å; A400-K404 VanDerWaalsContact O-N 3.17Å; A401-K404 CarbonylContact O-C 3.15Å; A401-K404 PolarHBondContact O-N 3.19Å; A401-K404 VanDerWaalsContact O-N 3.17Å; R402-K404 VanDerWaalsContact C-N 3.27Å; R402-K404 PolarHBondContact O-N 3.06Å; K404-R406 PolarHBondContact O-N 3.38Å
405K93.3Very high94.9Very high206 Ų206103.4 Ų103.490%0.89647%0.473SS*.THydrogen-bonded Turntrans51.627.7-173.9-58.7-175.1178.3-177.80113.2R402 Q403R402-K405 WeakPolarHBondContact O-CA 3.42Å; R402-K405 PolarHBondContact O-N 3.17Å; Q403-K405 PolarHBondContact O-N 2.86Å
406R92.9Very high94.9Very high109 Ų10998.5 Ų98.541%0.41145%0.454SS..  trans-108133.8179.5-170.7-167.467.5137.92.1109.2A401 K404 T409 E412A401-R406 CarbonylContact C-O 3.56Å; A401-R406 PolarHBondContact O-N 3.48Å; K404-R406 PolarHBondContact O-N 3.38Å; R406-T409 VanDerWaalsContact NH1-CG2 3.27Å; R406-E412 IonicContact CZ-OE1 3.27Å; R406-E412 IonicContact CZ-OE2 3.86Å; R406-E412 IonicContact NH1-OE2 3.41Å; R406-E412 IonicContact NH2-OE1 2.71Å; R406-E412 PolarHBondContact NH2-OE1 3.05Å; R406-E412 IonicContact NH2-OE2 2.74Å; R406-E412 PolarHBondContact NH2-OE2 3.22Å
407T92.3Very high95Very high109 Ų10999.3 Ų99.367%0.66946%0.457SS*.PPolyproline II helixtrans-66.1133.2170.8-53.30000109.8T409T407-T409 PolarHBondContact O-N 3.2Å
408P91.7Very high95Very high15 Ų1599.3 Ų99.310%0.09746%0.457CS..PPolyproline II helixtrans-53.9133.3173.1-23.731.6000111I398 A401 R402 E412 K413I398-P408 HydrophobicContact CB-CG 4.46Å; I398-P408 HydrophobicContact CG1-CB 4.31Å; I398-P408 HydrophobicContact CG1-CG 4.45Å; I398-P408 HydrophobicContact CG2-CG 3.86Å; A401-P408 HydrophobicContact CB-CG 4.3Å; R402-P408 HydrophobicContact CG-CG 4.48Å; P408-E412 WeakPolarHBondContact CA-OE2 3.39Å; P408-K413 HydrophobicContact CB-CG 4.2Å; P408-K413 WeakPolarHBondContact O-CE 3.28Å
409T95Very high95.1Very high54 Ų5498 Ų9833%0.33145%0.45SS..PPolyproline II helixtrans-64.4157.4179.560.90000111.1R406 T407 K411 E412 K413R406-T409 VanDerWaalsContact NH1-CG2 3.27Å; T407-T409 PolarHBondContact O-N 3.2Å; T409-K411 PolarHBondContact O-N 3.14Å; T409-E412 WeakPolarHBondContact CB-OE2 3.4Å; T409-E412 PolarHBondContact N-OE2 2.88Å; T409-E412 PolarHBondContact O-N 2.85Å; T409-E412 VanDerWaalsContact O-N 3.09Å; T409-E412 VanDerWaalsContact OG1-CD 3.22Å; T409-E412 VanDerWaalsContact OG1-CG 3.25Å; T409-E412 WeakPolarHBondContact OG1-CG 3.41Å; T409-E412 PolarHBondContact OG1-N 2.99Å; T409-E412 PolarHBondContact OG1-OE2 3.34Å; T409-K413 PolarHBondContact O-N 3.32Å
410K95.5Very high95.2Very high163 Ų16398.8 Ų98.871%0.70946%0.455SS*.Hα-helixtrans-51.9-44.5173.1-175.9179.5176.3-175.70111.3E412 K413 D414K410-E412 PolarHBondContact O-N 3.31Å; K410-K413 PolarHBondContact O-N 3.45Å; K410-D414 WeakPolarHBondContact CG-OD2 3.15Å; K410-D414 WeakPolarHBondContact O-CB 3.39Å; K410-D414 PolarHBondContact O-N 2.96Å
411K95.4Very high95.2Very high176 Ų176102.7 Ų102.777%0.76547%0.465SS*.Hα-helixtrans-59.1-42.5177.2-66.9-172.6177.4-1760113.2T409 Q415T409-K411 PolarHBondContact O-N 3.14Å; K411-Q415 WeakPolarHBondContact O-CB 3.45Å; K411-Q415 PolarHBondContact O-N 2.72Å
412E94.9Very high95.3Very high47 Ų47106.7 Ų106.722%0.2248%0.483CS..Hα-helixtrans-67.6-39.2178-73.1159.9151.900112R406 P408 T409 K410 A416R406-E412 IonicContact CZ-OE1 3.27Å; R406-E412 IonicContact CZ-OE2 3.86Å; R406-E412 IonicContact NH1-OE2 3.41Å; R406-E412 IonicContact NH2-OE1 2.71Å; R406-E412 PolarHBondContact NH2-OE1 3.05Å; R406-E412 IonicContact NH2-OE2 2.74Å; R406-E412 PolarHBondContact NH2-OE2 3.22Å; P408-E412 WeakPolarHBondContact CA-OE2 3.39Å; T409-E412 WeakPolarHBondContact CB-OE2 3.4Å; T409-E412 PolarHBondContact N-OE2 2.88Å; T409-E412 PolarHBondContact O-N 2.85Å; T409-E412 VanDerWaalsContact O-N 3.09Å; T409-E412 VanDerWaalsContact OG1-CD 3.22Å; T409-E412 VanDerWaalsContact OG1-CG 3.25Å; T409-E412 WeakPolarHBondContact OG1-CG 3.41Å; T409-E412 PolarHBondContact OG1-N 2.99Å; T409-E412 PolarHBondContact OG1-OE2 3.34Å; K410-E412 PolarHBondContact O-N 3.31Å; E412-A416 WeakPolarHBondContact O-CB 3.49Å; E412-A416 PolarHBondContact O-N 3.34Å
413K95.5Very high95.5Very high109 Ų109103.2 Ų103.247%0.47447%0.47SS..Hα-helixtrans-66.5-45.6175.4-66.8-179.7-178.5-179.90111.7P408 T409 K410 Q415 A416 W417P408-K413 HydrophobicContact CB-CG 4.2Å; P408-K413 WeakPolarHBondContact O-CE 3.28Å; T409-K413 PolarHBondContact O-N 3.32Å; K410-K413 PolarHBondContact O-N 3.45Å; K413-Q415 VanDerWaalsContact C-N 3.33Å; K413-Q415 PolarHBondContact O-N 2.93Å; K413-A416 PolarHBondContact O-N 2.89Å; K413-W417 WeakPolarHBondContact O-CB 3.44Å; K413-W417 PolarHBondContact O-N 3Å
414D96.6Very high95.6Very high86 Ų86100.5 Ų100.546%0.4646%0.458SS..Hα-helixtrans-63.2-40.4179.1-67.8-13.6000110.9K410 W417 K418K410-D414 WeakPolarHBondContact CG-OD2 3.15Å; K410-D414 WeakPolarHBondContact O-CB 3.39Å; K410-D414 PolarHBondContact O-N 2.96Å; D414-W417 PolarHBondContact O-N 3.15Å; D414-K418 WeakPolarHBondContact O-CB 3.28Å; D414-K418 PolarHBondContact O-N 3.29Å
415Q95.6Very high95.6Very high85 Ų8595.7 Ų95.740%0.39745%0.445SS..Hα-helixtrans-63.5-47174.5-176.561.93800111.8K411 K413 W417 K418 T419K411-Q415 WeakPolarHBondContact O-CB 3.45Å; K411-Q415 PolarHBondContact O-N 2.72Å; K413-Q415 VanDerWaalsContact C-N 3.33Å; K413-Q415 PolarHBondContact O-N 2.93Å; Q415-W417 VanDerWaalsContact C-N 3.29Å; Q415-W417 PolarHBondContact O-N 2.96Å; Q415-K418 PolarHBondContact O-N 3.3Å; Q415-T419 WeakPolarHBondContact O-CG2 3.46Å; Q415-T419 PolarHBondContact O-N 2.9Å; Q415-T419 PolarHBondContact O-OG1 3Å
416A96.5Very high95.7Very high12 Ų1286.6 Ų86.610%0.09941%0.406CS..Hα-helixtrans-61.6-39.2177.900000112.1A394 I398 E412 K413 T419 L420A394-A416 HydrophobicContact CB-CB 3.89Å; I398-A416 HydrophobicContact CD1-CB 3.67Å; E412-A416 WeakPolarHBondContact O-CB 3.49Å; E412-A416 PolarHBondContact O-N 3.34Å; K413-A416 PolarHBondContact O-N 2.89Å; A416-T419 PolarHBondContact O-OG1 3.04Å; A416-L420 WeakPolarHBondContact O-CB 3.28Å; A416-L420 VanDerWaalsContact O-CG 3.28Å; A416-L420 WeakPolarHBondContact O-CG 3.5Å; A416-L420 PolarHBondContact O-N 3.25Å; A416-L420 VanDerWaalsContact O-N 3.09Å
417W97.1Very high95.9Very high161 Ų16183.5 Ų83.561%0.6140%0.398SS*.Hα-helixtrans-67.2-40.2176.2-170.4-105.4000112.2K413 D414 Q415 L420 K421K413-W417 WeakPolarHBondContact O-CB 3.44Å; K413-W417 PolarHBondContact O-N 3Å; D414-W417 PolarHBondContact O-N 3.15Å; Q415-W417 VanDerWaalsContact C-N 3.29Å; Q415-W417 PolarHBondContact O-N 2.96Å; W417-L420 PolarHBondContact O-N 2.87Å; W417-K421 PolarHBondContact O-N 3.45Å
418K97.2Very high96Very high129 Ų12984.5 Ų84.556%0.56139%0.393SS*.Hα-helixtrans-60.5-50.1175.4-176.2-174.9173.9-171.10111.3D414 Q415 L420 K421 E422D414-K418 WeakPolarHBondContact O-CB 3.28Å; D414-K418 PolarHBondContact O-N 3.29Å; Q415-K418 PolarHBondContact O-N 3.3Å; K418-L420 VanDerWaalsContact C-N 3.31Å; K418-L420 PolarHBondContact O-N 3.16Å; K418-K421 PolarHBondContact O-N 3.21Å; K418-E422 WeakPolarHBondContact O-CB 3.47Å; K418-E422 PolarHBondContact O-N 2.96Å
419T96.4Very high96.1Very high2 Ų288.6 Ų88.61%0.01241%0.413CS..Hα-helixtrans-64.5-35.4-179.354.20000112.1E390 Q415 A416 R423E390-T419 HydrophobicContact CB-CG2 3.85Å; Q415-T419 WeakPolarHBondContact O-CG2 3.46Å; Q415-T419 PolarHBondContact O-N 2.9Å; Q415-T419 PolarHBondContact O-OG1 3Å; A416-T419 PolarHBondContact O-OG1 3.04Å; T419-R423 WeakPolarHBondContact O-CB 3.18Å; T419-R423 PolarHBondContact O-N 3Å
420L97.1Very high96Very high82 Ų8287.3 Ų87.343%0.42940%0.404SS..Hα-helixtrans-65-44.5174.2-77.2170.9000112.4V391 A416 W417 K418 R423 E424V391-L420 HydrophobicContact CG1-CD2 3.94Å; V391-L420 HydrophobicContact CG2-CD2 4.04Å; V391-L420 HydrophobicContact CG2-CG 4.38Å; A416-L420 WeakPolarHBondContact O-CB 3.28Å; A416-L420 VanDerWaalsContact O-CG 3.28Å; A416-L420 WeakPolarHBondContact O-CG 3.5Å; A416-L420 PolarHBondContact O-N 3.25Å; A416-L420 VanDerWaalsContact O-N 3.09Å; W417-L420 PolarHBondContact O-N 2.87Å; K418-L420 VanDerWaalsContact C-N 3.31Å; K418-L420 PolarHBondContact O-N 3.16Å; L420-R423 PolarHBondContact O-N 3.39Å; L420-E424 PolarHBondContact O-N 3.27Å
421K97.5Very high95.7Very high121 Ų12186.1 Ų86.153%0.52641%0.406SS..Hα-helixtrans-64.6-40176.5-79.1-175.2164.4-175.20112.6W417 K418 E424 S425W417-K421 PolarHBondContact O-N 3.45Å; K418-K421 PolarHBondContact O-N 3.21Å; K421-E424 PolarHBondContact O-N 3.25Å; K421-S425 WeakPolarHBondContact O-CB 3.42Å; K421-S425 PolarHBondContact O-N 3.39Å
422E96.5Very high94.8Very high88 Ų8882.6 Ų82.641%0.41142%0.419SS..Hα-helixtrans-62.8-48176.3-177.8165.5-17300111.1K418 E424 S425 I426K418-E422 WeakPolarHBondContact O-CB 3.47Å; K418-E422 PolarHBondContact O-N 2.96Å; E422-E424 PolarHBondContact O-N 3.49Å; E422-S425 WeakPolarHBondContact O-CB 3.34Å; E422-S425 PolarHBondContact O-N 2.89Å; E422-I426 HydrophobicContact CG-CD1 4.02Å; E422-I426 WeakPolarHBondContact O-CD1 3.46Å; E422-I426 VanDerWaalsContact O-CG1 3.29Å; E422-I426 WeakPolarHBondContact O-CG1 3.38Å; E422-I426 PolarHBondContact O-N 3.45Å
423R97.2Very high94.8Very high88 Ų8884.4 Ų84.433%0.33243%0.429SS..Hα-helixtrans-54.4-49.8172.9-176.1-164.7-174.3-93-9.9112.2A387 D388 T419 L420 S425 I426 L427A387-R423 HydrophobicContact CB-CB 4.01Å; A387-R423 HydrophobicContact CB-CG 4.45Å; D388-R423 WeakPolarHBondContact OD1-CD 3.37Å; D388-R423 IonicContact OD1-CZ 3.72Å; D388-R423 IonicContact OD1-NE 2.78Å; D388-R423 PolarHBondContact OD1-NE 3.1Å; D388-R423 IonicContact OD1-NH2 2.91Å; D388-R423 PolarHBondContact OD1-NH2 2.94Å; T419-R423 WeakPolarHBondContact O-CB 3.18Å; T419-R423 PolarHBondContact O-N 3Å; L420-R423 PolarHBondContact O-N 3.39Å; R423-S425 VanDerWaalsContact C-N 3.31Å; R423-S425 PolarHBondContact O-N 3.27Å; R423-I426 PolarHBondContact O-N 2.71Å; R423-L427 HydrophobicContact CG-CD1 4.19Å; R423-L427 VanDerWaalsContact NH1-CD1 3.33Å; R423-L427 WeakPolarHBondContact O-CG 3.41Å; R423-L427 PolarHBondContact O-N 3.23Å
424E97Very high94.7Very high99 Ų9983.1 Ų83.146%0.46343%0.427SS..Hα-helixtrans-61.1-40.7179.1-168.8-167.7156.400111.7L420 K421 E422 I426 L427 K428L420-E424 PolarHBondContact O-N 3.27Å; K421-E424 PolarHBondContact O-N 3.25Å; E422-E424 PolarHBondContact O-N 3.49Å; E424-I426 VanDerWaalsContact C-N 3.35Å; E424-I426 PolarHBondContact O-N 3.45Å; E424-L427 PolarHBondContact O-N 2.73Å; E424-K428 WeakPolarHBondContact O-CG 3.31Å; E424-K428 PolarHBondContact O-N 2.63Å; E424-K428 VanDerWaalsContact O-N 3.09Å; E424-K428 VanDerWaalsContact OE1-CE 3.27Å; E424-K428 WeakPolarHBondContact OE1-CE 3.48Å; E424-K428 IonicContact OE1-NZ 4Å; E424-K428 PolarHBondContact OE1-NZ 2.97Å
425S96.9Very high94.6Very high69 Ų6982.9 Ų82.948%0.48343%0.425SS..Hα-helixtrans-63.1-39.6177.1-172.90000112.4K421 E422 R423 L429K421-S425 WeakPolarHBondContact O-CB 3.42Å; K421-S425 PolarHBondContact O-N 3.39Å; E422-S425 WeakPolarHBondContact O-CB 3.34Å; E422-S425 PolarHBondContact O-N 2.89Å; R423-S425 VanDerWaalsContact C-N 3.31Å; R423-S425 PolarHBondContact O-N 3.27Å; S425-L429 WeakPolarHBondContact O-CG 3.32Å; S425-L429 PolarHBondContact O-N 2.87Å
426I95.9Very high94.6Very high15 Ų1582.8 Ų82.88%0.07743%0.426CS..Hα-helixtrans-72.8-39.7179.9-57.7157.3000110.4L380 R383 V384 A387 E422 R423 E424 K428 L429 L430L380-I426 HydrophobicContact CD2-CG2 4.01Å; R383-I426 HydrophobicContact CB-CD1 4.09Å; R383-I426 HydrophobicContact CB-CG2 4.13Å; V384-I426 HydrophobicContact CG2-CB 4.07Å; V384-I426 HydrophobicContact CG2-CG2 3.39Å; A387-I426 HydrophobicContact CB-CD1 4.07Å; E422-I426 HydrophobicContact CG-CD1 4.02Å; E422-I426 WeakPolarHBondContact O-CD1 3.46Å; E422-I426 VanDerWaalsContact O-CG1 3.29Å; E422-I426 WeakPolarHBondContact O-CG1 3.38Å; E422-I426 PolarHBondContact O-N 3.45Å; R423-I426 PolarHBondContact O-N 2.71Å; E424-I426 VanDerWaalsContact C-N 3.35Å; E424-I426 PolarHBondContact O-N 3.45Å; I426-K428 VanDerWaalsContact C-N 3.33Å; I426-K428 PolarHBondContact O-N 3.21Å; I426-L429 WeakPolarHBondContact O-CB 3.24Å; I426-L429 PolarHBondContact O-N 3.08Å; I426-L429 VanDerWaalsContact O-N 3.08Å; I426-L430 PolarHBondContact O-N 3.44Å; I426-L430 VanDerWaalsContact O-N 3.15Å
427L95.4Very high94.5Very high44 Ų4487.2 Ų87.223%0.2345%0.447CS..Hα-helixtrans-60.4-42.3176.4-73.4171.7000112V384 R423 E424 L429 L430 D431V384-L427 HydrophobicContact CG1-CD2 3.99Å; V384-L427 HydrophobicContact CG2-CD2 4.06Å; V384-L427 HydrophobicContact CG2-CG 4.48Å; R423-L427 HydrophobicContact CG-CD1 4.19Å; R423-L427 VanDerWaalsContact NH1-CD1 3.33Å; R423-L427 WeakPolarHBondContact O-CG 3.41Å; R423-L427 PolarHBondContact O-N 3.23Å; E424-L427 PolarHBondContact O-N 2.73Å; L427-L429 PolarHBondContact O-N 3.42Å; L427-L430 PolarHBondContact O-N 2.67Å; L427-D431 PolarHBondContact O-N 3.27Å
428K95.8Very high94.3Very high130 Ų13082.3 Ų82.357%0.56544%0.436SS*.Hα-helixtrans-59.1-31.8174.1-74.3176.4-175.7167.90113.5E424 I426 G432E424-K428 WeakPolarHBondContact O-CG 3.31Å; E424-K428 PolarHBondContact O-N 2.63Å; E424-K428 VanDerWaalsContact O-N 3.09Å; E424-K428 VanDerWaalsContact OE1-CE 3.27Å; E424-K428 WeakPolarHBondContact OE1-CE 3.48Å; E424-K428 IonicContact OE1-NZ 4Å; E424-K428 PolarHBondContact OE1-NZ 2.97Å; I426-K428 VanDerWaalsContact C-N 3.33Å; I426-K428 PolarHBondContact O-N 3.21Å; K428-G432 PolarHBondContact O-N 3.27Å
429L94.1Very high94.1Very high100 Ų10078.9 Ų78.952%0.52443%0.427SS..Hα-helixtrans-78.3-20175.7-68.7172.2000113L380 S425 I426 L427L380-L429 HydrophobicContact CD1-CB 4.41Å; L380-L429 HydrophobicContact CD2-CB 3.78Å; L380-L429 HydrophobicContact CD2-CD1 4.19Å; S425-L429 WeakPolarHBondContact O-CG 3.32Å; S425-L429 PolarHBondContact O-N 2.87Å; I426-L429 WeakPolarHBondContact O-CB 3.24Å; I426-L429 PolarHBondContact O-N 3.08Å; I426-L429 VanDerWaalsContact O-N 3.08Å; L427-L429 PolarHBondContact O-N 3.42Å
430L91.2Very high93.9Very high28 Ų2884.8 Ų84.815%0.14746%0.459CS..Hα-helixtrans-88.5-31.7179.5-168.773.1000112.1R377 L380 R381 I426 L427R377-L430 PolarHBondContact NH1-O 2.81Å; R377-L430 PolarHBondContact NH2-O 3.23Å; L380-L430 HydrophobicContact CB-CD1 3.75Å; L380-L430 HydrophobicContact CD1-CD1 4.38Å; R381-L430 HydrophobicContact CG-CD1 3.86Å; R381-L430 HydrophobicContact CG-CD2 4.09Å; I426-L430 PolarHBondContact O-N 3.44Å; I426-L430 VanDerWaalsContact O-N 3.15Å; L427-L430 PolarHBondContact O-N 2.67Å
431D88.9Confident93.6Very high138 Ų13885.1 Ų85.174%0.73846%0.461SS*.Hα-helixtrans-81.2-20.2178.5-66.2-22.1000113.3L427L427-D431 PolarHBondContact O-N 3.27Å
432G77.2Confident93.3Very high101 Ų10181.8 Ų81.8100%1.04146%0.455SS*.  trans-85.80170.600000111.8K428K428-G432 PolarHBondContact O-N 3.27Å

Retrieved 432 of 432 residues in 61.8 ms (Link to these results)

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