A0A024R2D7_HUMAN Loading...

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. Component of the ATAC complex, a complex with histone acetyltransferase activity on histones H3 and H4.

AlphaFold DB , UniProt , Accession A0A024R2D7, Species HUMAN (Homo sapiens, Human), Gene n/a, Length 369 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
1M41.4Very low61.7Low230 Ų230129.5 Ų129.5100%1.13366%0.658SS**  0-4.90-69.6-99.8-108.900113.5
2S46.3Very low63.1Low102 Ų102124.9 Ų124.971%0.71363%0.632SS**  trans-85.5-14.2-175.2-41.10000115.2
3E49.3Very low64.3Low148 Ų148125.4 Ų125.469%0.69264%0.637SS**G310 helixtrans-79.1-14.2-174.8-61-160.316600114.7K5E3-K5 VanDerWaalsContact C-N 3.3Å; E3-K5 PolarHBondContact O-N 3.07Å
4L52Low65.6Low153 Ų153121.6 Ų121.680%0.80161%0.614SS**G310 helixtrans-75.9-16.1175.9-94.788.4000113.4D6L4-D6 VanDerWaalsContact C-N 3.29Å; L4-D6 PolarHBondContact O-N 3.05Å
5K54.2Low66.5Low192 Ų192124.3 Ų124.384%0.83562%0.621SS**G310 helixtrans-72.8-20.7-177.7-94.5-175173.8-176.30114E3E3-K5 VanDerWaalsContact C-N 3.3Å; E3-K5 PolarHBondContact O-N 3.07Å
6D61.9Low67.5Low125 Ų125122.3 Ų122.367%0.66862%0.622SS**G310 helixtrans-107.215-175.3-63.1-27.2000112.8L4 P8L4-D6 VanDerWaalsContact C-N 3.29Å; L4-D6 PolarHBondContact O-N 3.05Å; D6-P8 WeakPolarHBondContact O-CD 3.46Å
7C68.4Low68.6Low53 Ų53117 Ų11736%0.35860%0.597SS.*  trans-75.5119.6175.6-169.90000109.8L9C7-L9 PolarHBondContact O-N 3.2Å
8P74.9Confident69.8Low53 Ų53113.8 Ų113.834%0.34458%0.581SS.*  trans-76.7-0.4-177.132.2-36.6000114D6 I70 W74D6-P8 WeakPolarHBondContact O-CD 3.46Å; P8-I70 HydrophobicContact CB-CG2 3.77Å; P8-I70 HydrophobicContact CG-CG2 3.63Å; P8-W74 HydrophobicContact CG-CB 4.06Å; P8-W74 HydrophobicContact CG-CG 3.93Å
9L76.4Confident70.8Confident49 Ų49111.3 Ų111.326%0.25757%0.567SS.*  trans-63.1132.7-178.6-87.8168.5000112.2C7 E67 L71C7-L9 PolarHBondContact O-N 3.2Å; L9-E67 HydrophobicContact CD2-CB 4.2Å; L9-L71 HydrophobicContact CD1-CD1 4.01Å; L9-L71 HydrophobicContact CD1-CD2 3.63Å; L9-L71 HydrophobicContact CD1-CG 4.09Å; L9-L71 HydrophobicContact CD2-CD1 3.84Å; L9-L71 HydrophobicContact CD2-CD2 4.13Å; L9-L71 HydrophobicContact CD2-CG 3.76Å; L9-L71 HydrophobicContact CG-CD1 4.19Å; L9-L71 HydrophobicContact CG-CD2 3.63Å; L9-L71 HydrophobicContact CG-CG 3.86Å
10Q77.2Confident71.7Confident129 Ų129111.5 Ų111.560%0.60357%0.569SS**  trans-102117.3166.7-64.9-1748.800110.1H12 E67Q10-H12 PolarHBondContact O-N 3.27Å; Q10-H12 PolarHBondContact O-ND1 3.23Å; Q10-E67 PolarHBondContact N-OE2 3.31Å
11F76.2Confident72.5Confident190 Ų190114.1 Ų114.183%0.83358%0.576SS**  trans-77.194.4173.7-64.7-79000110.1
12H78.4Confident74.9Confident75 Ų75107 Ų10735%0.34755%0.545SS..  trans-76.4130.9177.6-70.182.7000111.2Q10 F14 V63 E67Q10-H12 PolarHBondContact O-N 3.27Å; Q10-H12 PolarHBondContact O-ND1 3.23Å; H12-F14 HydrophobicContact CB-CD2 4.49Å; H12-F14 HydrophobicContact CB-CE1 4.03Å; H12-F14 HydrophobicContact CB-CE2 3.93Å; H12-F14 HydrophobicContact CB-CZ 3.7Å; H12-F14 WeakPolarHBondContact O-CD2 3.35Å; H12-F14 PolarHBondContact O-N 3.36Å; H12-V63 HydrophobicContact CB-CG1 4.28Å; H12-E67 IonicContact CE1-OE1 2.73Å; H12-E67 PolarHBondContact CE1-OE1 2.86Å; H12-E67 VanDerWaalsContact CE1-OE1 3.23Å; H12-E67 IonicContact ND1-OE1 2.64Å
13D79.6Confident77.2Confident131 Ų131102.1 Ų102.170%0.70151%0.511SS*.  trans-78.7101.6169.717921.1000109.9K15D13-K15 PolarHBondContact O-N 3.44Å; D13-K15 VanDerWaalsContact OD2-CE 3.24Å; D13-K15 WeakPolarHBondContact OD2-CE 3.38Å
14F82.3Confident79.3Confident72 Ų7298.7 Ų98.732%0.31650%0.502SS..  trans-8587179.8-66.7-64000111.6H12 S16 R60 V63 L64H12-F14 HydrophobicContact CB-CD2 4.49Å; H12-F14 HydrophobicContact CB-CE1 4.03Å; H12-F14 HydrophobicContact CB-CE2 3.93Å; H12-F14 HydrophobicContact CB-CZ 3.7Å; H12-F14 WeakPolarHBondContact O-CD2 3.35Å; H12-F14 PolarHBondContact O-N 3.36Å; F14-S16 PolarHBondContact O-N 3.02Å; F14-R60 HydrophobicContact CD1-CB 3.85Å; F14-R60 HydrophobicContact CD1-CG 3.59Å; F14-R60 HydrophobicContact CE1-CB 4.02Å; F14-R60 HydrophobicContact CE1-CG 4.17Å; F14-R60 HydrophobicContact CG-CG 4.4Å; F14-V63 HydrophobicContact CE1-CB 3.97Å; F14-V63 HydrophobicContact CE1-CG1 3.88Å; F14-V63 HydrophobicContact CZ-CB 4.18Å; F14-V63 HydrophobicContact CZ-CG1 3.81Å; F14-L64 HydrophobicContact CE2-CD1 4.45Å; F14-L64 HydrophobicContact CE2-CD2 3.44Å; F14-L64 VanDerWaalsContact CE2-CD2 3.44Å; F14-L64 HydrophobicContact CE2-CG 3.87Å; F14-L64 HydrophobicContact CZ-CD1 4.49Å; F14-L64 HydrophobicContact CZ-CD2 3.64Å; F14-L64 HydrophobicContact CZ-CG 3.66Å
15K79.1Confident81.3Confident163 Ų16395.1 Ų95.171%0.70948%0.478SS*.PPolyproline II helixtrans-65.8119.6170.9-62.5-174.5-179.3-179.80110.5D13D13-K15 PolarHBondContact O-N 3.44Å; D13-K15 VanDerWaalsContact OD2-CE 3.24Å; D13-K15 WeakPolarHBondContact OD2-CE 3.38Å
16S81.8Confident83.2Confident91 Ų9189.2 Ų89.264%0.63645%0.451SS*.PPolyproline II helixtrans-65.7149.1170.752.50000110.6F14 D18F14-S16 PolarHBondContact O-N 3.02Å; S16-D18 PolarHBondContact O-N 3.5Å
17V86.9Confident84.7Confident33 Ų3384.8 Ų84.820%0.243%0.428CS..PPolyproline II helixtrans-66.6126.8169.7-176.70000108.3H19 V22 L53 S56V17-H19 VanDerWaalsContact C-N 3.28Å; V17-H19 PolarHBondContact O-N 3.19Å; V17-V22 HydrophobicContact CG1-CB 4.15Å; V17-V22 HydrophobicContact CG1-CG1 4.5Å; V17-V22 HydrophobicContact CG1-CG2 4.39Å; V17-L53 HydrophobicContact CB-CD2 3.84Å; V17-L53 HydrophobicContact CG1-CD2 3.87Å; V17-L53 HydrophobicContact CG2-CD2 4.41Å; V17-S56 WeakPolarHBondContact CG2-OG 3.48Å
18D89.9Confident85.8Confident59 Ų5984.3 Ų84.332%0.31643%0.428SS..  trans-7683.3172.4-172.6-2.6000109S16 L20 K21 V22S16-D18 PolarHBondContact O-N 3.5Å; D18-L20 PolarHBondContact O-N 2.74Å; D18-L20 WeakPolarHBondContact OD1-CB 3.27Å; D18-L20 PolarHBondContact OD1-N 2.92Å; D18-K21 PolarHBondContact O-N 3.27Å; D18-K21 VanDerWaalsContact OD2-CD 3.26Å; D18-K21 WeakPolarHBondContact OD2-CD 3.12Å; D18-K21 WeakPolarHBondContact OD2-CE 3.44Å; D18-K21 WeakPolarHBondContact OD2-CG 3.42Å; D18-K21 IonicContact OD2-NZ 2.62Å; D18-K21 PolarHBondContact OD2-NZ 2.72Å; D18-V22 WeakPolarHBondContact O-CG2 3.39Å; D18-V22 PolarHBondContact O-N 3.29Å
19H89.1Confident86.7Confident67 Ų6783.2 Ų83.231%0.3142%0.42SS..Hα-helixtrans-59-27.7-177.362-81.5000112.3V17 K21 C23 Y26 T27 L53V17-H19 VanDerWaalsContact C-N 3.28Å; V17-H19 PolarHBondContact O-N 3.19Å; H19-K21 PolarHBondContact O-N 2.62Å; H19-C23 HydrophobicContact CB-CB 4.06Å; H19-C23 CarbonylContact O-C 3.12Å; H19-C23 VanDerWaalsContact O-CA 3.27Å; H19-C23 WeakPolarHBondContact O-CA 3.41Å; H19-C23 PolarHBondContact O-N 3.45Å; H19-Y26 HydrophobicContact CB-CD1 4.12Å; H19-Y26 HydrophobicContact CB-CE1 4.33Å; H19-T27 PolarHBondContact CD2-OG1 2.8Å; H19-T27 PolarHBondContact O-OG1 3.04Å; H19-L53 HydrophobicContact CB-CD2 4.3Å
20L87.7Confident87.5Confident115 Ų11585.9 Ų85.960%0.60243%0.434SS*.Hα-helixtrans-61.8-29175.2-57.3178.2000112.4D18 T27D18-L20 PolarHBondContact O-N 2.74Å; D18-L20 WeakPolarHBondContact OD1-CB 3.27Å; D18-L20 PolarHBondContact OD1-N 2.92Å; L20-T27 HydrophobicContact CD2-CG2 3.44Å; L20-T27 VanDerWaalsContact CD2-CG2 3.44Å
21K89.6Confident88.1Confident166 Ų16683.8 Ų83.872%0.72244%0.439SS*.Hα-helixtrans-98.5-37.8178.9-66.7-170.2-175.1113.90113.5D18 H19D18-K21 PolarHBondContact O-N 3.27Å; D18-K21 VanDerWaalsContact OD2-CD 3.26Å; D18-K21 WeakPolarHBondContact OD2-CD 3.12Å; D18-K21 WeakPolarHBondContact OD2-CE 3.44Å; D18-K21 WeakPolarHBondContact OD2-CG 3.42Å; D18-K21 IonicContact OD2-NZ 2.62Å; D18-K21 PolarHBondContact OD2-NZ 2.72Å; H19-K21 PolarHBondContact O-N 2.62Å
22V91Very high88.9Confident80 Ų8079 Ų7949%0.48542%0.416SS..Hα-helixtrans-103.1-20.2-167.8-168.70000112.2V17 D18 P24 T52V17-V22 HydrophobicContact CG1-CB 4.15Å; V17-V22 HydrophobicContact CG1-CG1 4.5Å; V17-V22 HydrophobicContact CG1-CG2 4.39Å; D18-V22 WeakPolarHBondContact O-CG2 3.39Å; D18-V22 PolarHBondContact O-N 3.29Å; V22-P24 VanDerWaalsContact C-CD 3.47Å; V22-T52 HydrophobicContact CG1-CG2 4.33Å
23C94.5Very high89.4Confident0 Ų078.8 Ų78.80%042%0.422CS..  trans-131.663.5-176.8-52.70000111H19 R25 Y26 T27 E49H19-C23 HydrophobicContact CB-CB 4.06Å; H19-C23 CarbonylContact O-C 3.12Å; H19-C23 VanDerWaalsContact O-CA 3.27Å; H19-C23 WeakPolarHBondContact O-CA 3.41Å; H19-C23 PolarHBondContact O-N 3.45Å; C23-R25 VanDerWaalsContact C-N 3.34Å; C23-R25 PolarHBondContact O-N 3.2Å; C23-Y26 HydrophobicContact CB-CD1 4.4Å; C23-Y26 PolarHBondContact O-N 2.71Å; C23-T27 WeakPolarHBondContact O-CB 3.19Å; C23-T27 PolarHBondContact O-N 2.98Å; C23-T27 PolarHBondContact O-OG1 2.84Å; C23-E49 VanDerWaalsContact CA-CD 3.41Å; C23-E49 WeakPolarHBondContact CA-OE2 3.49Å; C23-E49 HydrophobicContact CB-CB 3.97Å; C23-E49 HydrophobicContact CB-CG 4.18Å; C23-E49 WeakPolarHBondContact CB-OE2 3.46Å
24P93.4Very high89.5Confident76 Ų7682 Ų8249%0.49443%0.433SS..Hα-helixtrans-64.3-32.9-176.526.6-35.9000113.3V22 A28 E49V22-P24 VanDerWaalsContact C-CD 3.47Å; P24-A28 VanDerWaalsContact O-CB 3.29Å; P24-A28 WeakPolarHBondContact O-CB 3.41Å; P24-A28 PolarHBondContact O-N 3.24Å; P24-E49 WeakPolarHBondContact CD-OE1 3.43Å
25R93.7Very high89.7Confident78 Ų7886 Ų8629%0.29446%0.458SS..Hα-helixtrans-69.9-47.3177.8-174.262.262.7139.613.7111.3C23 T27 A28 V29 E42 T45 L46 E49C23-R25 VanDerWaalsContact C-N 3.34Å; C23-R25 PolarHBondContact O-N 3.2Å; R25-T27 VanDerWaalsContact C-N 3.29Å; R25-T27 PolarHBondContact O-N 3.47Å; R25-A28 PolarHBondContact O-N 2.93Å; R25-V29 WeakPolarHBondContact O-CG2 3.29Å; R25-V29 PolarHBondContact O-N 3.03Å; R25-E42 IonicContact CZ-OE1 3.26Å; R25-E42 IonicContact NH1-OE1 2.88Å; R25-E42 PolarHBondContact NH1-OE1 3.2Å; R25-T45 HydrophobicContact CB-CG2 4.01Å; R25-T45 HydrophobicContact CG-CG2 4.41Å; R25-L46 HydrophobicContact CG-CB 4.11Å; R25-L46 HydrophobicContact CG-CD1 4.46Å; R25-E49 WeakPolarHBondContact CA-OE2 3.49Å; R25-E49 WeakPolarHBondContact CB-OE1 3.26Å; R25-E49 WeakPolarHBondContact CB-OE2 3.28Å; R25-E49 PolarHBondContact N-OE1 3.22Å; R25-E49 PolarHBondContact N-OE2 3.34Å
26Y94.4Very high90Very high68 Ų6883.5 Ų83.527%0.26745%0.452SS..Hα-helixtrans-55.2-47.5173.7172.4-100.9000110.7H19 C23 A28 V29 L30 L46 E49 L50 L53H19-Y26 HydrophobicContact CB-CD1 4.12Å; H19-Y26 HydrophobicContact CB-CE1 4.33Å; C23-Y26 HydrophobicContact CB-CD1 4.4Å; C23-Y26 PolarHBondContact O-N 2.71Å; Y26-A28 PolarHBondContact O-N 2.75Å; Y26-V29 PolarHBondContact O-N 3.44Å; Y26-L30 HydrophobicContact CD1-CD1 4.01Å; Y26-L30 HydrophobicContact CE1-CD1 3.38Å; Y26-L30 HydrophobicContact CE1-CG 4.19Å; Y26-L30 HydrophobicContact CE2-CD1 4.33Å; Y26-L30 HydrophobicContact CE2-CD2 4.48Å; Y26-L30 HydrophobicContact CE2-CG 4.36Å; Y26-L30 WeakPolarHBondContact O-CG 3.44Å; Y26-L30 PolarHBondContact O-N 2.9Å; Y26-L46 HydrophobicContact CD2-CD1 4.29Å; Y26-E49 WeakPolarHBondContact CB-OE2 3.45Å; Y26-E49 PolarHBondContact N-OE2 3.37Å; Y26-L50 HydrophobicContact CD2-CD2 3.61Å; Y26-L50 HydrophobicContact CD2-CG 4.45Å; Y26-L50 HydrophobicContact CE2-CD2 3.75Å; Y26-L53 HydrophobicContact CD1-CD1 3.84Å; Y26-L53 HydrophobicContact CD2-CD1 4.24Å; Y26-L53 HydrophobicContact CE1-CD1 3.82Å; Y26-L53 HydrophobicContact CE2-CD1 4.25Å; Y26-L53 HydrophobicContact CG-CD1 4.03Å
27T94.3Very high90.2Very high32 Ų3281.1 Ų81.120%0.19644%0.442CS..Hα-helixtrans-60.5-43.9176.9-57.20000111.9H19 L20 C23 R25 V29 L30 A31H19-T27 PolarHBondContact CD2-OG1 2.8Å; H19-T27 PolarHBondContact O-OG1 3.04Å; L20-T27 HydrophobicContact CD2-CG2 3.44Å; L20-T27 VanDerWaalsContact CD2-CG2 3.44Å; C23-T27 WeakPolarHBondContact O-CB 3.19Å; C23-T27 PolarHBondContact O-N 2.98Å; C23-T27 PolarHBondContact O-OG1 2.84Å; R25-T27 VanDerWaalsContact C-N 3.29Å; R25-T27 PolarHBondContact O-N 3.47Å; T27-V29 VanDerWaalsContact C-N 3.35Å; T27-V29 PolarHBondContact O-N 3.41Å; T27-L30 PolarHBondContact O-N 3.5Å; T27-A31 PolarHBondContact O-N 2.97Å
28A92.2Very high90.4Very high43 Ų4384 Ų8436%0.35546%0.456SS..Hα-helixtrans-64.8-38.3178.600000112.2P24 R25 Y26 A31 R32P24-A28 VanDerWaalsContact O-CB 3.29Å; P24-A28 WeakPolarHBondContact O-CB 3.41Å; P24-A28 PolarHBondContact O-N 3.24Å; R25-A28 PolarHBondContact O-N 2.93Å; Y26-A28 PolarHBondContact O-N 2.75Å; A28-A31 PolarHBondContact O-N 3.43Å; A28-R32 WeakPolarHBondContact O-CG 3.36Å
29V92.8Very high90.4Very high30 Ų3082.8 Ų82.818%0.18246%0.457CS..Hα-helixtrans-65.6-41.8176170.70000111.1R25 Y26 T27 A31 R32 I38 L46R25-V29 WeakPolarHBondContact O-CG2 3.29Å; R25-V29 PolarHBondContact O-N 3.03Å; Y26-V29 PolarHBondContact O-N 3.44Å; T27-V29 VanDerWaalsContact C-N 3.35Å; T27-V29 PolarHBondContact O-N 3.41Å; V29-A31 PolarHBondContact O-N 2.91Å; V29-R32 PolarHBondContact O-N 3.37Å; V29-I38 HydrophobicContact CG1-CD1 4.23Å; V29-I38 HydrophobicContact CG1-CG1 4.11Å; V29-L46 HydrophobicContact CG2-CD1 4.42Å; V29-L46 HydrophobicContact CG2-CD2 4.4Å
30L92.4Very high90.4Very high105 Ų10587 Ų8755%0.5548%0.48SS..Hα-helixtrans-62.3-24.6176.1-72.4-178.9000113.9Y26 T27 R32Y26-L30 HydrophobicContact CD1-CD1 4.01Å; Y26-L30 HydrophobicContact CE1-CD1 3.38Å; Y26-L30 HydrophobicContact CE1-CG 4.19Å; Y26-L30 HydrophobicContact CE2-CD1 4.33Å; Y26-L30 HydrophobicContact CE2-CD2 4.48Å; Y26-L30 HydrophobicContact CE2-CG 4.36Å; Y26-L30 WeakPolarHBondContact O-CG 3.44Å; Y26-L30 PolarHBondContact O-N 2.9Å; T27-L30 PolarHBondContact O-N 3.5Å; L30-R32 VanDerWaalsContact C-N 3.34Å
31A91.2Very high90.5Very high86 Ų8690.1 Ų90.171%0.71149%0.491SS*.THydrogen-bonded Turntrans-85.7-3.9-179.300000113.8T27 A28 V29T27-A31 PolarHBondContact O-N 2.97Å; A28-A31 PolarHBondContact O-N 3.43Å; V29-A31 PolarHBondContact O-N 2.91Å
32R92.3Very high90.7Very high90 Ų9083.5 Ų83.534%0.3446%0.463SS..SBendtrans-87.6159.5-179-66.1175.8-171.1177.11.1111.9A28 V29 L30 D36 E42A28-R32 WeakPolarHBondContact O-CG 3.36Å; V29-R32 PolarHBondContact O-N 3.37Å; L30-R32 VanDerWaalsContact C-N 3.34Å; R32-D36 HydrophobicContact CB-CB 4.21Å; R32-E42 IonicContact CZ-OE1 3.59Å; R32-E42 IonicContact CZ-OE2 3.53Å; R32-E42 IonicContact NH1-OE1 2.75Å; R32-E42 IonicContact NH1-OE2 3.77Å; R32-E42 PolarHBondContact NH1-OE2 3.5Å; R32-E42 IonicContact NH2-OE1 2.74Å; R32-E42 PolarHBondContact NH2-OE1 3.49Å; R32-E42 IonicContact NH2-OE2 3.45Å; R32-E42 PolarHBondContact NH2-OE2 3.34Å
33S89.1Confident90.8Very high69 Ų6983.9 Ų83.948%0.48346%0.462SS..  trans-72.8152.4167.946.40000111.2D35 D36S33-D35 PolarHBondContact O-N 3.04Å; S33-D36 PolarHBondContact O-N 3.26Å
34E82.1Confident90.7Very high198 Ų19890 Ų9093%0.92549%0.494SS*.G310 helixtrans-56.6-25.9-179.7-64.7-177.3168.500113.2
35D86.6Confident90.7Very high158 Ų15889.1 Ų89.185%0.84549%0.488SS*.G310 helixtrans-75-18.8179.1-65.5-34.7000114.7S33S33-D35 PolarHBondContact O-N 3.04Å
36D85.1Confident90.8Very high110 Ų11086 Ų8659%0.58848%0.477SS*.G310 helixtrans-80.6-18.4-173.3-87.5-17.6000113.5R32 S33R32-D36 HydrophobicContact CB-CB 4.21Å; S33-D36 PolarHBondContact O-N 3.26Å
37G85.6Confident90.9Very high41 Ų4187.6 Ų87.642%0.42349%0.487SS..  trans58.9-168.3179.200000115.1
38I91.4Very high90.9Very high94 Ų9491.1 Ų91.148%0.48250%0.504SS..  trans-119.6122.7179-58.6172000108.5V29 L46V29-I38 HydrophobicContact CG1-CD1 4.23Å; V29-I38 HydrophobicContact CG1-CG1 4.11Å; I38-L46 HydrophobicContact CD1-CD2 3.93Å; I38-L46 HydrophobicContact CG2-CD2 3.98Å
39G88.9Confident91.1Very high33 Ų3390 Ų9034%0.3449%0.491SS..  trans-72.7145.617800000112.4E41 E42 L43G39-E41 PolarHBondContact O-N 3.28Å; G39-E42 PolarHBondContact N-OE2 3.11Å; G39-E42 WeakPolarHBondContact O-CB 3.35Å; G39-E42 PolarHBondContact O-N 3.41Å; G39-L43 PolarHBondContact O-N 3.47Å
40I89.8Confident91.2Very high154 Ų15492.2 Ų92.279%0.7950%0.502SS*.Hα-helixtrans-58-36.1178.4-103.5165.4000112.4E42 L43I40-E42 PolarHBondContact O-N 2.9Å; I40-L43 WeakPolarHBondContact O-CB 3.29Å; I40-L43 PolarHBondContact O-N 3.35Å
41E90.4Very high91.4Very high182 Ų18291.5 Ų91.585%0.8550%0.496SS*.Hα-helixtrans-68.7-19.8180-58.9179.8-178.200112.9G39G39-E41 PolarHBondContact O-N 3.28Å
42E92.6Very high91.5Very high26 Ų2690.1 Ų90.112%0.12148%0.479CS..Hα-helixtrans-93.1-15.4-176.9-44.6-170109.500112.1R25 R32 G39 I40 D44 T45 L46R25-E42 IonicContact CZ-OE1 3.26Å; R25-E42 IonicContact NH1-OE1 2.88Å; R25-E42 PolarHBondContact NH1-OE1 3.2Å; R32-E42 IonicContact CZ-OE1 3.59Å; R32-E42 IonicContact CZ-OE2 3.53Å; R32-E42 IonicContact NH1-OE1 2.75Å; R32-E42 IonicContact NH1-OE2 3.77Å; R32-E42 PolarHBondContact NH1-OE2 3.5Å; R32-E42 IonicContact NH2-OE1 2.74Å; R32-E42 PolarHBondContact NH2-OE1 3.49Å; R32-E42 IonicContact NH2-OE2 3.45Å; R32-E42 PolarHBondContact NH2-OE2 3.34Å; G39-E42 PolarHBondContact N-OE2 3.11Å; G39-E42 WeakPolarHBondContact O-CB 3.35Å; G39-E42 PolarHBondContact O-N 3.41Å; I40-E42 PolarHBondContact O-N 2.9Å; E42-D44 PolarHBondContact O-N 3.15Å; E42-T45 PolarHBondContact O-N 2.79Å; E42-L46 VanDerWaalsContact O-CB 3.29Å; E42-L46 WeakPolarHBondContact O-CB 3.46Å; E42-L46 PolarHBondContact O-N 2.89Å
43L94.1Very high91.6Very high88 Ų8887.5 Ų87.546%0.46147%0.471SS..Hα-helixtrans-64.5-44.6-168.5-170.263.4000112.3G39 I40 T45 L46 Q47G39-L43 PolarHBondContact O-N 3.47Å; I40-L43 WeakPolarHBondContact O-CB 3.29Å; I40-L43 PolarHBondContact O-N 3.35Å; L43-T45 VanDerWaalsContact C-N 3.34Å; L43-T45 PolarHBondContact O-N 3.49Å; L43-L46 PolarHBondContact O-N 3.37Å; L43-Q47 VanDerWaalsContact O-CB 3.32Å; L43-Q47 WeakPolarHBondContact O-CB 3.41Å; L43-Q47 PolarHBondContact O-N 3.38Å
44D92.6Very high91.8Very high128 Ų12889.4 Ų89.468%0.68448%0.475SS*.Hα-helixtrans-63-41.3-179.7-70.1-18.5000111.9E42 L48E42-D44 PolarHBondContact O-N 3.15Å; D44-L48 PolarHBondContact O-N 3.24Å
45T93.1Very high92.4Very high59 Ų5983.6 Ų83.636%0.36246%0.457SS..Hα-helixtrans-71.4-42.6178.2-55.70000110.9R25 E42 L43 Q47 L48 E49R25-T45 HydrophobicContact CB-CG2 4.01Å; R25-T45 HydrophobicContact CG-CG2 4.41Å; E42-T45 PolarHBondContact O-N 2.79Å; L43-T45 VanDerWaalsContact C-N 3.34Å; L43-T45 PolarHBondContact O-N 3.49Å; T45-Q47 VanDerWaalsContact C-N 3.32Å; T45-Q47 PolarHBondContact O-N 3.04Å; T45-L48 PolarHBondContact O-N 3.35Å; T45-E49 WeakPolarHBondContact O-CG 3.45Å; T45-E49 PolarHBondContact O-N 2.98Å; T45-E49 VanDerWaalsContact O-N 3.12Å
46L95.2Very high92.7Very high11 Ų1177.4 Ų77.46%0.05843%0.426CS..Hα-helixtrans-61.7-41.9176.6-179.462.7000111.3R25 Y26 V29 I38 E42 L43 E49 L50R25-L46 HydrophobicContact CG-CB 4.11Å; R25-L46 HydrophobicContact CG-CD1 4.46Å; Y26-L46 HydrophobicContact CD2-CD1 4.29Å; V29-L46 HydrophobicContact CG2-CD1 4.42Å; V29-L46 HydrophobicContact CG2-CD2 4.4Å; I38-L46 HydrophobicContact CD1-CD2 3.93Å; I38-L46 HydrophobicContact CG2-CD2 3.98Å; E42-L46 VanDerWaalsContact O-CB 3.29Å; E42-L46 WeakPolarHBondContact O-CB 3.46Å; E42-L46 PolarHBondContact O-N 2.89Å; L43-L46 PolarHBondContact O-N 3.37Å; L46-E49 PolarHBondContact O-N 2.98Å; L46-L50 HydrophobicContact CD1-CD1 4.37Å; L46-L50 HydrophobicContact CD1-CG 4.35Å; L46-L50 HydrophobicContact CG-CD1 4.04Å; L46-L50 HydrophobicContact CG-CG 4.45Å; L46-L50 WeakPolarHBondContact O-CB 3.32Å; L46-L50 VanDerWaalsContact O-CG 3.28Å; L46-L50 WeakPolarHBondContact O-CG 3.49Å; L46-L50 PolarHBondContact O-N 3.12Å
47Q96.3Very high93.1Very high102 Ų10274 Ų7448%0.47741%0.413SS..Hα-helixtrans-59.4-48.4176.7-174.6-174.2-46.300111.1L43 T45 E49 L50 E51L43-Q47 VanDerWaalsContact O-CB 3.32Å; L43-Q47 WeakPolarHBondContact O-CB 3.41Å; L43-Q47 PolarHBondContact O-N 3.38Å; T45-Q47 VanDerWaalsContact C-N 3.32Å; T45-Q47 PolarHBondContact O-N 3.04Å; Q47-E49 VanDerWaalsContact C-N 3.31Å; Q47-E49 PolarHBondContact O-N 2.92Å; Q47-L50 PolarHBondContact O-N 3.35Å; Q47-E51 PolarHBondContact NE2-OE1 3.43Å; Q47-E51 WeakPolarHBondContact O-CG 3.43Å; Q47-E51 PolarHBondContact O-N 3.2Å
48L95.6Very high93.5Very high107 Ų10774.3 Ų74.356%0.5641%0.408SS*.Hα-helixtrans-59.8-41.2179-178.965.9000112.5D44 T45 E51 T52D44-L48 PolarHBondContact O-N 3.24Å; T45-L48 PolarHBondContact O-N 3.35Å; L48-E51 PolarHBondContact O-N 3.47Å; L48-T52 PolarHBondContact O-N 3.21Å; L48-T52 PolarHBondContact O-OG1 3.03Å
49E96.1Very high93.4Very high18 Ų1878 Ų788%0.08442%0.416CS..Hα-helixtrans-68.3-39.9177.5-71.1-177-172.100112C23 P24 R25 Y26 T45 L46 Q47 T52 L53C23-E49 VanDerWaalsContact CA-CD 3.41Å; C23-E49 WeakPolarHBondContact CA-OE2 3.49Å; C23-E49 HydrophobicContact CB-CB 3.97Å; C23-E49 HydrophobicContact CB-CG 4.18Å; C23-E49 WeakPolarHBondContact CB-OE2 3.46Å; P24-E49 WeakPolarHBondContact CD-OE1 3.43Å; R25-E49 WeakPolarHBondContact CA-OE2 3.49Å; R25-E49 WeakPolarHBondContact CB-OE1 3.26Å; R25-E49 WeakPolarHBondContact CB-OE2 3.28Å; R25-E49 PolarHBondContact N-OE1 3.22Å; R25-E49 PolarHBondContact N-OE2 3.34Å; Y26-E49 WeakPolarHBondContact CB-OE2 3.45Å; Y26-E49 PolarHBondContact N-OE2 3.37Å; T45-E49 WeakPolarHBondContact O-CG 3.45Å; T45-E49 PolarHBondContact O-N 2.98Å; T45-E49 VanDerWaalsContact O-N 3.12Å; L46-E49 PolarHBondContact O-N 2.98Å; Q47-E49 VanDerWaalsContact C-N 3.31Å; Q47-E49 PolarHBondContact O-N 2.92Å; E49-T52 WeakPolarHBondContact O-CB 3.47Å; E49-T52 PolarHBondContact O-N 3.22Å; E49-L53 WeakPolarHBondContact O-CG 3.38Å; E49-L53 PolarHBondContact O-N 3.28Å
50L95.8Very high93.6Very high78 Ų7880.3 Ų80.341%0.40842%0.415SS..Hα-helixtrans-63.7-40.4173.4-72.6172.5000111.9Y26 L46 Q47 T52 L53 L54Y26-L50 HydrophobicContact CD2-CD2 3.61Å; Y26-L50 HydrophobicContact CD2-CG 4.45Å; Y26-L50 HydrophobicContact CE2-CD2 3.75Å; L46-L50 HydrophobicContact CD1-CD1 4.37Å; L46-L50 HydrophobicContact CD1-CG 4.35Å; L46-L50 HydrophobicContact CG-CD1 4.04Å; L46-L50 HydrophobicContact CG-CG 4.45Å; L46-L50 WeakPolarHBondContact O-CB 3.32Å; L46-L50 VanDerWaalsContact O-CG 3.28Å; L46-L50 WeakPolarHBondContact O-CG 3.49Å; L46-L50 PolarHBondContact O-N 3.12Å; Q47-L50 PolarHBondContact O-N 3.35Å; L50-T52 VanDerWaalsContact C-N 3.26Å; L50-T52 PolarHBondContact O-N 3.17Å; L50-L53 PolarHBondContact O-N 3.46Å; L50-L54 VanDerWaalsContact O-CB 3.31Å; L50-L54 WeakPolarHBondContact O-CB 3.35Å; L50-L54 PolarHBondContact O-N 2.86Å
51E95.6Very high93.8Very high89 Ų8977.5 Ų77.542%0.41640%0.401SS..Hα-helixtrans-62.4-34.7173.6-75.2176.2-168.900111.9Q47 L48 S55Q47-E51 PolarHBondContact NE2-OE1 3.43Å; Q47-E51 WeakPolarHBondContact O-CG 3.43Å; Q47-E51 PolarHBondContact O-N 3.2Å; L48-E51 PolarHBondContact O-N 3.47Å; E51-S55 VanDerWaalsContact O-CB 3.23Å; E51-S55 WeakPolarHBondContact O-CB 3.38Å; E51-S55 PolarHBondContact O-N 2.81Å; E51-S55 PolarHBondContact O-OG 3.33Å
52T92.9Very high93.9Very high58 Ų5876.2 Ų76.236%0.35639%0.388SS..Hα-helixtrans-66.1-46.1174.6-60.80000111.3V22 L48 E49 L50 S55 S56V22-T52 HydrophobicContact CG1-CG2 4.33Å; L48-T52 PolarHBondContact O-N 3.21Å; L48-T52 PolarHBondContact O-OG1 3.03Å; E49-T52 WeakPolarHBondContact O-CB 3.47Å; E49-T52 PolarHBondContact O-N 3.22Å; L50-T52 VanDerWaalsContact C-N 3.26Å; L50-T52 PolarHBondContact O-N 3.17Å; T52-S55 PolarHBondContact O-N 2.91Å; T52-S56 PolarHBondContact O-N 3.32Å; T52-S56 VanDerWaalsContact O-N 3.14Å
53L94.3Very high93.8Very high34 Ų3477 Ų7718%0.17839%0.394CS..Hα-helixtrans-62.8-45.5175.4-67.9174.8000111.5V17 H19 Y26 E49 L50 S56 A57V17-L53 HydrophobicContact CB-CD2 3.84Å; V17-L53 HydrophobicContact CG1-CD2 3.87Å; V17-L53 HydrophobicContact CG2-CD2 4.41Å; H19-L53 HydrophobicContact CB-CD2 4.3Å; Y26-L53 HydrophobicContact CD1-CD1 3.84Å; Y26-L53 HydrophobicContact CD2-CD1 4.24Å; Y26-L53 HydrophobicContact CE1-CD1 3.82Å; Y26-L53 HydrophobicContact CE2-CD1 4.25Å; Y26-L53 HydrophobicContact CG-CD1 4.03Å; E49-L53 WeakPolarHBondContact O-CG 3.38Å; E49-L53 PolarHBondContact O-N 3.28Å; L50-L53 PolarHBondContact O-N 3.46Å; L53-S56 PolarHBondContact O-N 2.94Å; L53-A57 PolarHBondContact O-N 3.47Å
54L94.8Very high93.6Very high109 Ų10976.7 Ų76.757%0.57139%0.393SS*.Hα-helixtrans-60.1-47.8177.1-178.961.8000111L50 S56 A57 S58L50-L54 VanDerWaalsContact O-CB 3.31Å; L50-L54 WeakPolarHBondContact O-CB 3.35Å; L50-L54 PolarHBondContact O-N 2.86Å; L54-S56 VanDerWaalsContact C-N 3.26Å; L54-S56 PolarHBondContact O-N 3.41Å; L54-A57 PolarHBondContact O-N 3.02Å; L54-A57 VanDerWaalsContact O-N 3.11Å; L54-S58 WeakPolarHBondContact O-CB 3.36Å; L54-S58 PolarHBondContact O-N 3.21Å; L54-S58 PolarHBondContact O-OG 2.94Å; L54-S58 VanDerWaalsContact O-OG 3.07Å
55S93.6Very high93.6Very high77 Ų7775.7 Ų75.754%0.53838%0.384SS..Hα-helixtrans-57.8-39.1178.4-67.10000112.4E51 T52 R59E51-S55 VanDerWaalsContact O-CB 3.23Å; E51-S55 WeakPolarHBondContact O-CB 3.38Å; E51-S55 PolarHBondContact O-N 2.81Å; E51-S55 PolarHBondContact O-OG 3.33Å; T52-S55 PolarHBondContact O-N 2.91Å; S55-R59 WeakPolarHBondContact O-CB 3.42Å; S55-R59 PolarHBondContact O-N 2.92Å; S55-R59 VanDerWaalsContact O-N 3.11Å
56S92.3Very high93.5Very high27 Ų2775.3 Ų75.319%0.18939%0.387CS..Hα-helixtrans-69.5-44.3175-1780000112.4V17 T52 L53 L54 R59 R60V17-S56 WeakPolarHBondContact CG2-OG 3.48Å; T52-S56 PolarHBondContact O-N 3.32Å; T52-S56 VanDerWaalsContact O-N 3.14Å; L53-S56 PolarHBondContact O-N 2.94Å; L54-S56 VanDerWaalsContact C-N 3.26Å; L54-S56 PolarHBondContact O-N 3.41Å; S56-R59 PolarHBondContact O-N 2.92Å; S56-R60 WeakPolarHBondContact O-CG 3.27Å; S56-R60 PolarHBondContact O-N 3.47Å; S56-R60 VanDerWaalsContact O-N 3.14Å
57A93.2Very high93.2Very high40 Ų4075.7 Ų75.733%0.33139%0.388SS..Hα-helixtrans-60.5-48.1175.600000111.9L53 L54 R59 R60 L61L53-A57 PolarHBondContact O-N 3.47Å; L54-A57 PolarHBondContact O-N 3.02Å; L54-A57 VanDerWaalsContact O-N 3.11Å; A57-R59 VanDerWaalsContact C-N 3.27Å; A57-R59 PolarHBondContact O-N 2.99Å; A57-R60 PolarHBondContact O-N 3.44Å; A57-R60 VanDerWaalsContact O-N 3.11Å; A57-L61 PolarHBondContact O-N 3.4Å
58S94Very high92.8Very high46 Ų4674.8 Ų74.832%0.32239%0.39SS..Hα-helixtrans-64.4-29178.4-57.40000113.2L54 R62L54-S58 WeakPolarHBondContact O-CB 3.36Å; L54-S58 PolarHBondContact O-N 3.21Å; L54-S58 PolarHBondContact O-OG 2.94Å; L54-S58 VanDerWaalsContact O-OG 3.07Å; S58-R62 WeakPolarHBondContact O-CG 3.45Å; S58-R62 PolarHBondContact O-N 3.45Å; S58-R62 PolarHBondContact O-NE 3.21Å
59R90.3Very high92.6Very high172 Ų17274.7 Ų74.765%0.64939%0.387SS*.Hα-helixtrans-67.8-46171.8-175.3-175.6-64-107.51.6110.9S55 S56 A57 R62 V63S55-R59 WeakPolarHBondContact O-CB 3.42Å; S55-R59 PolarHBondContact O-N 2.92Å; S55-R59 VanDerWaalsContact O-N 3.11Å; S56-R59 PolarHBondContact O-N 2.92Å; A57-R59 VanDerWaalsContact C-N 3.27Å; A57-R59 PolarHBondContact O-N 2.99Å; R59-R62 PolarHBondContact O-N 3.41Å; R59-V63 WeakPolarHBondContact O-CG2 3.38Å; R59-V63 PolarHBondContact O-N 2.72Å
60R92.8Very high92.2Very high82 Ų8276.8 Ų76.831%0.30940%0.398SS..Hα-helixtrans-64.4-42.4178.5-65.7-175.8-78.4157.11111.6F14 S56 A57 R62 V63 L64F14-R60 HydrophobicContact CD1-CB 3.85Å; F14-R60 HydrophobicContact CD1-CG 3.59Å; F14-R60 HydrophobicContact CE1-CB 4.02Å; F14-R60 HydrophobicContact CE1-CG 4.17Å; F14-R60 HydrophobicContact CG-CG 4.4Å; S56-R60 WeakPolarHBondContact O-CG 3.27Å; S56-R60 PolarHBondContact O-N 3.47Å; S56-R60 VanDerWaalsContact O-N 3.14Å; A57-R60 PolarHBondContact O-N 3.44Å; A57-R60 VanDerWaalsContact O-N 3.11Å; R60-R62 PolarHBondContact O-N 3.23Å; R60-V63 PolarHBondContact O-N 3.24Å; R60-L64 PolarHBondContact O-N 3.45Å
61L93.5Very high91.7Very high94 Ų9476.1 Ų76.149%0.49239%0.394SS..Hα-helixtrans-57.3-49.1175.9-178.362.2000111.6A57 V63 L64 E65A57-L61 PolarHBondContact O-N 3.4Å; L61-V63 VanDerWaalsContact C-N 3.28Å; L61-V63 PolarHBondContact O-N 3.27Å; L61-L64 WeakPolarHBondContact O-CB 3.49Å; L61-L64 PolarHBondContact O-N 2.94Å; L61-L64 VanDerWaalsContact O-N 3.1Å; L61-E65 HydrophobicContact CD1-CG 4.31Å; L61-E65 HydrophobicContact CG-CG 4.36Å; L61-E65 WeakPolarHBondContact O-CG 3.43Å; L61-E65 PolarHBondContact O-N 2.92Å
62R93Very high91.3Very high156 Ų15674.5 Ų74.559%0.58939%0.391SS*.Hα-helixtrans-60-35.7177.9-78.3-176.8-73.8157.8-10.5113.7S58 R59 R60 A66S58-R62 WeakPolarHBondContact O-CG 3.45Å; S58-R62 PolarHBondContact O-N 3.45Å; S58-R62 PolarHBondContact O-NE 3.21Å; R59-R62 PolarHBondContact O-N 3.41Å; R60-R62 PolarHBondContact O-N 3.23Å; R62-A66 WeakPolarHBondContact O-CB 3.24Å; R62-A66 PolarHBondContact O-N 3.4Å; R62-A66 VanDerWaalsContact O-N 3.07Å
63V89.8Confident90.9Very high41 Ų4175.1 Ų75.125%0.24839%0.392CS..Hα-helixtrans-68-45.2175.4174.60000110.1H12 F14 R59 R60 L61 E65 A66 E67H12-V63 HydrophobicContact CB-CG1 4.28Å; F14-V63 HydrophobicContact CE1-CB 3.97Å; F14-V63 HydrophobicContact CE1-CG1 3.88Å; F14-V63 HydrophobicContact CZ-CB 4.18Å; F14-V63 HydrophobicContact CZ-CG1 3.81Å; R59-V63 WeakPolarHBondContact O-CG2 3.38Å; R59-V63 PolarHBondContact O-N 2.72Å; R60-V63 PolarHBondContact O-N 3.24Å; L61-V63 VanDerWaalsContact C-N 3.28Å; L61-V63 PolarHBondContact O-N 3.27Å; V63-E65 PolarHBondContact O-N 3.02Å; V63-A66 WeakPolarHBondContact O-CB 3.1Å; V63-A66 PolarHBondContact O-N 3.14Å; V63-E67 WeakPolarHBondContact O-CG 3.32Å; V63-E67 PolarHBondContact O-N 3.03Å
64L91Very high90.4Very high83 Ų8378 Ų7844%0.43540%0.4SS..Hα-helixtrans-62.7-40.6176.5-72.9173.3000112.7F14 R60 L61 A66 E67 T68F14-L64 HydrophobicContact CE2-CD1 4.45Å; F14-L64 HydrophobicContact CE2-CD2 3.44Å; F14-L64 VanDerWaalsContact CE2-CD2 3.44Å; F14-L64 HydrophobicContact CE2-CG 3.87Å; F14-L64 HydrophobicContact CZ-CD1 4.49Å; F14-L64 HydrophobicContact CZ-CD2 3.64Å; F14-L64 HydrophobicContact CZ-CG 3.66Å; R60-L64 PolarHBondContact O-N 3.45Å; L61-L64 WeakPolarHBondContact O-CB 3.49Å; L61-L64 PolarHBondContact O-N 2.94Å; L61-L64 VanDerWaalsContact O-N 3.1Å; L64-A66 VanDerWaalsContact C-N 3.33Å; L64-E67 PolarHBondContact O-N 2.77Å; L64-T68 WeakPolarHBondContact O-CB 3.38Å; L64-T68 PolarHBondContact O-N 2.9Å; L64-T68 PolarHBondContact O-OG1 3.4Å
65E93.3Very high89.7Confident107 Ų10779.2 Ų79.250%0.540%0.403SS..Hα-helixtrans-61.4-42174.7-73.1170.516400111.2L61 V63 T68 Q69L61-E65 HydrophobicContact CD1-CG 4.31Å; L61-E65 HydrophobicContact CG-CG 4.36Å; L61-E65 WeakPolarHBondContact O-CG 3.43Å; L61-E65 PolarHBondContact O-N 2.92Å; V63-E65 PolarHBondContact O-N 3.02Å; E65-T68 PolarHBondContact O-N 3.05Å; E65-Q69 PolarHBondContact O-N 2.84Å
66A89.9Confident89.1Confident50 Ų5080.6 Ų80.641%0.41341%0.405SS..Hα-helixtrans-63.7-45.2175.800000112.1R62 V63 L64 T68 Q69 I70R62-A66 WeakPolarHBondContact O-CB 3.24Å; R62-A66 PolarHBondContact O-N 3.4Å; R62-A66 VanDerWaalsContact O-N 3.07Å; V63-A66 WeakPolarHBondContact O-CB 3.1Å; V63-A66 PolarHBondContact O-N 3.14Å; L64-A66 VanDerWaalsContact C-N 3.33Å; A66-T68 VanDerWaalsContact C-N 3.32Å; A66-T68 PolarHBondContact O-N 2.94Å; A66-Q69 PolarHBondContact O-N 3.4Å; A66-I70 WeakPolarHBondContact O-CG1 3.47Å; A66-I70 PolarHBondContact O-N 3.19Å
67E88.6Confident88.3Confident20 Ų2086.7 Ų86.79%0.09343%0.428CS..Hα-helixtrans-63.8-37.9175.3-68.3-59.3135.500112L9 Q10 H12 V63 L64 I70 L71L9-E67 HydrophobicContact CD2-CB 4.2Å; Q10-E67 PolarHBondContact N-OE2 3.31Å; H12-E67 IonicContact CE1-OE1 2.73Å; H12-E67 PolarHBondContact CE1-OE1 2.86Å; H12-E67 VanDerWaalsContact CE1-OE1 3.23Å; H12-E67 IonicContact ND1-OE1 2.64Å; V63-E67 WeakPolarHBondContact O-CG 3.32Å; V63-E67 PolarHBondContact O-N 3.03Å; L64-E67 PolarHBondContact O-N 2.77Å; E67-I70 PolarHBondContact O-N 2.85Å; E67-L71 PolarHBondContact O-N 3.44Å; E67-L71 VanDerWaalsContact O-N 3.08Å
68T89.4Confident87Confident83 Ų8389.9 Ų89.951%0.50943%0.434SS..Hα-helixtrans-64-41.9174.9-55.70000110.9L64 E65 A66 L71 T72L64-T68 WeakPolarHBondContact O-CB 3.38Å; L64-T68 PolarHBondContact O-N 2.9Å; L64-T68 PolarHBondContact O-OG1 3.4Å; E65-T68 PolarHBondContact O-N 3.05Å; A66-T68 VanDerWaalsContact C-N 3.32Å; A66-T68 PolarHBondContact O-N 2.94Å; T68-L71 WeakPolarHBondContact O-CB 3.35Å; T68-L71 PolarHBondContact O-N 2.92Å; T68-T72 PolarHBondContact O-N 2.87Å; T68-T72 PolarHBondContact O-OG1 3Å; T68-T72 VanDerWaalsContact O-OG1 3.08Å
69Q89.5Confident85.3Confident104 Ų10490.4 Ų90.449%0.48645%0.447SS..Hα-helixtrans-63.9-41.5176-171.961.75000111.8E65 A66 L71 T72 D73E65-Q69 PolarHBondContact O-N 2.84Å; A66-Q69 PolarHBondContact O-N 3.4Å; Q69-L71 VanDerWaalsContact C-N 3.26Å; Q69-L71 PolarHBondContact O-N 3.48Å; Q69-T72 PolarHBondContact O-N 3.1Å; Q69-D73 PolarHBondContact NE2-OD1 2.89Å; Q69-D73 WeakPolarHBondContact O-CB 3.31Å; Q69-D73 VanDerWaalsContact O-CG 3.31Å; Q69-D73 PolarHBondContact O-N 3.39Å
70I88.2Confident83.5Confident62 Ų6286.7 Ų86.732%0.31844%0.44SS..Hα-helixtrans-58.7-40.1175.7-70.7166.3000110.8P8 A66 E67 W74P8-I70 HydrophobicContact CB-CG2 3.77Å; P8-I70 HydrophobicContact CG-CG2 3.63Å; A66-I70 WeakPolarHBondContact O-CG1 3.47Å; A66-I70 PolarHBondContact O-N 3.19Å; E67-I70 PolarHBondContact O-N 2.85Å; I70-W74 VanDerWaalsContact O-CB 3.25Å; I70-W74 WeakPolarHBondContact O-CB 3.07Å; I70-W74 PolarHBondContact O-N 3.38Å
71L85.3Confident81.7Confident64 Ų6492.9 Ų92.934%0.33546%0.463SS..Hα-helixtrans-65.8-45.1176.1-80.5178.6000113L9 E67 T68 Q69 W74 Q75L9-L71 HydrophobicContact CD1-CD1 4.01Å; L9-L71 HydrophobicContact CD1-CD2 3.63Å; L9-L71 HydrophobicContact CD1-CG 4.09Å; L9-L71 HydrophobicContact CD2-CD1 3.84Å; L9-L71 HydrophobicContact CD2-CD2 4.13Å; L9-L71 HydrophobicContact CD2-CG 3.76Å; L9-L71 HydrophobicContact CG-CD1 4.19Å; L9-L71 HydrophobicContact CG-CD2 3.63Å; L9-L71 HydrophobicContact CG-CG 3.86Å; E67-L71 PolarHBondContact O-N 3.44Å; E67-L71 VanDerWaalsContact O-N 3.08Å; T68-L71 WeakPolarHBondContact O-CB 3.35Å; T68-L71 PolarHBondContact O-N 2.92Å; Q69-L71 VanDerWaalsContact C-N 3.26Å; Q69-L71 PolarHBondContact O-N 3.48Å; L71-W74 PolarHBondContact O-N 3.13Å; L71-Q75 WeakPolarHBondContact O-CB 3.26Å; L71-Q75 PolarHBondContact O-N 2.99Å
72T87.1Confident79.7Confident56 Ų5699.3 Ų99.334%0.34448%0.481SS..Hα-helixtrans-58.7-50.2176.1-54.50000110.5T68 Q69 W74 Q75 D76T68-T72 PolarHBondContact O-N 2.87Å; T68-T72 PolarHBondContact O-OG1 3Å; T68-T72 VanDerWaalsContact O-OG1 3.08Å; Q69-T72 PolarHBondContact O-N 3.1Å; T72-W74 VanDerWaalsContact C-N 3.27Å; T72-W74 PolarHBondContact O-N 3.07Å; T72-Q75 PolarHBondContact O-N 3.25Å; T72-Q75 VanDerWaalsContact O-N 3.15Å; T72-D76 PolarHBondContact O-N 3.04Å
73D85.9Confident77.3Confident70 Ų70100 Ų10037%0.37449%0.488SS..Hα-helixtrans-61.1-36.1178.3-70.11.6000112.1Q69 K77Q69-D73 PolarHBondContact NE2-OD1 2.89Å; Q69-D73 WeakPolarHBondContact O-CB 3.31Å; Q69-D73 VanDerWaalsContact O-CG 3.31Å; Q69-D73 PolarHBondContact O-N 3.39Å; D73-K77 WeakPolarHBondContact O-CB 3.41Å; D73-K77 WeakPolarHBondContact O-CD 3.21Å; D73-K77 VanDerWaalsContact O-CG 3.24Å; D73-K77 WeakPolarHBondContact O-CG 3.33Å; D73-K77 PolarHBondContact O-N 3Å; D73-K77 VanDerWaalsContact O-N 3.09Å
74W83.4Confident75.1Confident94 Ų94105.7 Ų105.736%0.35652%0.517SS..Hα-helixtrans-70.7-39.2177.2-177.984.6000112.1P8 I70 L71 T72 K77 K78P8-W74 HydrophobicContact CG-CB 4.06Å; P8-W74 HydrophobicContact CG-CG 3.93Å; I70-W74 VanDerWaalsContact O-CB 3.25Å; I70-W74 WeakPolarHBondContact O-CB 3.07Å; I70-W74 PolarHBondContact O-N 3.38Å; L71-W74 PolarHBondContact O-N 3.13Å; T72-W74 VanDerWaalsContact C-N 3.27Å; T72-W74 PolarHBondContact O-N 3.07Å; W74-K77 PolarHBondContact O-N 2.66Å; W74-K78 HydrophobicContact CH2-CD 4.15Å; W74-K78 HydrophobicContact CZ3-CD 4.35Å; W74-K78 WeakPolarHBondContact O-CB 3.27Å; W74-K78 PolarHBondContact O-N 3.41Å
75Q79.6Confident72.8Confident135 Ų135111.3 Ų111.363%0.63154%0.538SS*.Hα-helixtrans-63.7-44.2175.3-175174.214.100111.4L71 T72 K77 K78 G79L71-Q75 WeakPolarHBondContact O-CB 3.26Å; L71-Q75 PolarHBondContact O-N 2.99Å; T72-Q75 PolarHBondContact O-N 3.25Å; T72-Q75 VanDerWaalsContact O-N 3.15Å; Q75-K77 VanDerWaalsContact C-N 3.35Å; Q75-K77 PolarHBondContact O-N 3.42Å; Q75-K78 WeakPolarHBondContact O-CB 3.36Å; Q75-K78 PolarHBondContact O-N 2.84Å; Q75-K78 VanDerWaalsContact O-N 3.14Å; Q75-G79 PolarHBondContact O-N 3.44Å
76D81.1Confident70.1Confident107 Ų107114.6 Ų114.657%0.57256%0.558SS**Hα-helixtrans-62.1-43176.8-71.5-18.8000111.4T72 K78 G79 D80T72-D76 PolarHBondContact O-N 3.04Å; D76-K78 VanDerWaalsContact C-N 3.32Å; D76-K78 PolarHBondContact O-N 2.82Å; D76-G79 PolarHBondContact O-N 3.4Å; D76-G79 VanDerWaalsContact O-N 3.15Å; D76-D80 PolarHBondContact O-N 3.24Å
77K75.2Confident67.3Low155 Ų155115.9 Ų115.967%0.67458%0.576SS**Hα-helixtrans-65-31.8174.2-74.8171-177.9169.20113.3D73 W74 Q75 G79D73-K77 WeakPolarHBondContact O-CB 3.41Å; D73-K77 WeakPolarHBondContact O-CD 3.21Å; D73-K77 VanDerWaalsContact O-CG 3.24Å; D73-K77 WeakPolarHBondContact O-CG 3.33Å; D73-K77 PolarHBondContact O-N 3Å; D73-K77 VanDerWaalsContact O-N 3.09Å; W74-K77 PolarHBondContact O-N 2.66Å; Q75-K77 VanDerWaalsContact C-N 3.35Å; Q75-K77 PolarHBondContact O-N 3.42Å; K77-G79 VanDerWaalsContact C-N 3.34Å
78K66.4Low65Low106 Ų106126 Ų12646%0.46161%0.613SS.*Hα-helixtrans-70.8-32174-166.1179.6-178.7179.20111.4W74 Q75 D76W74-K78 HydrophobicContact CH2-CD 4.15Å; W74-K78 HydrophobicContact CZ3-CD 4.35Å; W74-K78 WeakPolarHBondContact O-CB 3.27Å; W74-K78 PolarHBondContact O-N 3.41Å; Q75-K78 WeakPolarHBondContact O-CB 3.36Å; Q75-K78 PolarHBondContact O-N 2.84Å; Q75-K78 VanDerWaalsContact O-N 3.14Å; D76-K78 VanDerWaalsContact C-N 3.32Å; D76-K78 PolarHBondContact O-N 2.82Å
79G57.1Low62.4Low58 Ų58128.7 Ų128.760%0.59862%0.624SS**Hα-helixtrans-70.9-26.8176.100000114.6Q75 D76 K77 R81Q75-G79 PolarHBondContact O-N 3.44Å; D76-G79 PolarHBondContact O-N 3.4Å; D76-G79 VanDerWaalsContact O-N 3.15Å; K77-G79 VanDerWaalsContact C-N 3.34Å; G79-R81 VanDerWaalsContact C-N 3.3Å; G79-R81 PolarHBondContact O-N 2.93Å
80D54.3Low59.7Low94 Ų94131.5 Ų131.550%0.50364%0.637SS.*THydrogen-bonded Turntrans-90.621.5-176.6-156.519.6000114.5D76 R82 F83D76-D80 PolarHBondContact O-N 3.24Å; D80-R82 PolarHBondContact O-N 2.98Å; D80-F83 PolarHBondContact O-N 3.46Å
81R55Low57Low211 Ų211135.2 Ų135.280%0.79665%0.653SS**THydrogen-bonded Turntrans-62.73.2175.2-95.9-177.1147.9-164.2-3.5114.9G79G79-R81 VanDerWaalsContact C-N 3.3Å; G79-R81 PolarHBondContact O-N 2.93Å
82R51.5Low54.8Low230 Ų230139.5 Ų139.587%0.86868%0.676SS**THydrogen-bonded Turntrans-91.9-7174.8-74.2-171.5-82.3-163.4-3.7114.5D80D80-R82 PolarHBondContact O-N 2.98Å
83F41.9Very low52Low169 Ų169140.6 Ų140.674%0.74170%0.698SS**SBendtrans-1132.2-177.8-95.1-81.1000117.1D80 K85D80-F83 PolarHBondContact O-N 3.46Å; F83-K85 PolarHBondContact O-N 3.26Å
84L43.4Very low49.6Very low162 Ų162142 Ų14285%0.84872%0.719SS**  trans-96.471.5177.4-65.3173.5000112.2
85K43.6Very low47.7Very low200 Ų200143.4 Ų143.487%0.8774%0.74SS**  trans-137.466.9155.3-155.7177.5-172178.40110.4F83F83-K85 PolarHBondContact O-N 3.26Å
86L35.4Very low45.7Very low176 Ų176143 Ų14392%0.92175%0.75SS**SBendtrans-160.1130.6150.3-140.973.4000110.5
87G31.1Very low43.6Very low77 Ų77147 Ų14779%0.79476%0.762SS**  trans101.169.5158.300000116.4
88R39.8Very low41.7Very low234 Ų234148.5 Ų148.588%0.88377%0.771SS**  trans-80118147.4-169.8-169.8-126.5-143.80.5106.6
89D35.1Very low40Very low138 Ų138147.1 Ų147.174%0.73879%0.787SS**  trans153.9140.4130.9-90.8-67.8000113.9
90H33.5Very low39.1Very low164 Ų164153.9 Ų153.976%0.75980%0.8SS**  trans93.395.2157-11362.4000122.2
91E32.3Very low38.3Very low139 Ų139155.5 Ų155.565%0.6582%0.816SS**  54.4124.6114.9-66.4-104.410700122.4
92L38.8Very low37.5Very low155 Ų155155.3 Ų155.381%0.81282%0.821SS**  trans49.8113.6136.7-55177.2000120.3
93G28.3Very low36.8Very low79 Ų79154.2 Ų154.281%0.81482%0.822SS**  trans175.4129.8158.900000114.2
94A35Very low36.6Very low99 Ų99155.2 Ų155.282%0.81883%0.829SS**  trans-67.4173.9-174.100000114.9
95P44Very low36.1Very low123 Ų123155.2 Ų155.280%0.79982%0.822SS**  trans-92.1156.5-153.537.1-35000114.3
96P36.5Very low35.7Very low128 Ų128153.8 Ų153.883%0.83182%0.823SS**  trans-109.7141.5160.133.9-22.4000113.2
97K37.3Very low35.6Very low190 Ų190152.3 Ų152.383%0.82681%0.812SS**  trans-78.8156.4178.2-64.8178.7173.1178.90112.6
98H36.1Very low35.6Very low187 Ų187152.3 Ų152.387%0.86681%0.811SS**  trans57.6116.7150.7-77-61.5000120.9
99G30.4Very low35.4Very low77 Ų77151.1 Ų151.179%0.79481%0.813SS**  trans-152.9114.3153.900000111.1
100K37.2Very low35.3Very low199 Ų199149.4 Ų149.487%0.86582%0.817SS**  trans-69.9152.5179.6-65.1174.6178.11780111.6
101P39Very low35.2Very low129 Ų129144.3 Ų144.384%0.83881%0.81SS**  trans-74.4133.4173.929.6-31.2000111.5
102K36.6Very low35.3Very low207 Ų207147.4 Ų147.490%0.982%0.823SS**  trans-82.6113.3-179.9-171.1168.7179.2175.80109.6
103K38.3Very low35Very low207 Ų207143.6 Ų143.690%0.982%0.822SS**PPolyproline II helixtrans-60.9130.2168.6-77.6-176.1173.1-178.40110.4
104Q38Very low35.7Very low190 Ų190146.5 Ų146.589%0.88883%0.826SS**PPolyproline II helixtrans-92.8118.8168.9-148.9169.5-4.900108.6
105K32.8Very low35.6Very low162 Ų162145.2 Ų145.270%0.70482%0.823SS**PPolyproline II helixtrans-90.2126.8176.6-172.3-170.5179.9-154.90107.4E107K105-E107 WeakPolarHBondContact CE-OE1 3.5Å; K105-E107 IonicContact NZ-OE1 3.13Å; K105-E107 PolarHBondContact NZ-OE1 3.36Å
106L34.6Very low35.7Very low169 Ų169145.6 Ų145.689%0.88583%0.825SS**  trans-116.7123.6158.2-130102.9000108.2
107E32.3Very low35.5Very low146 Ų146143.2 Ų143.268%0.68282%0.824SS**  trans-72.6146.5179.4-69.7-126.2134.900112.2K105K105-E107 WeakPolarHBondContact CE-OE1 3.5Å; K105-E107 IonicContact NZ-OE1 3.13Å; K105-E107 PolarHBondContact NZ-OE1 3.36Å
108G31.6Very low35.9Very low76 Ų76140.9 Ų140.978%0.78483%0.828SS**  trans-85.5177.3169.800000113.7
109K35.6Very low35.7Very low210 Ų210135.9 Ų135.991%0.91383%0.827SS**  trans-126.2113.2169-160.2170.1-179.9178.40108
110A33.5Very low36Very low101 Ų101141.1 Ų141.184%0.83582%0.823SS**  trans-65.8162.5163.700000110.1
111G31.1Very low36.5Very low58 Ų58137.8 Ų137.860%0.59882%0.822SS**  cis172.7-179.65.100000108.8
112H34.7Very low36.6Very low203 Ų203138 Ų13894%0.9481%0.809SS**  trans173.3110.2133.8-90.9-61.1000111.7
113G32.8Very low36.7Very low75 Ų75134.1 Ų134.177%0.77381%0.808SS**  63.9126.612600000122.5
114P43.4Very low36.9Very low141 Ų141132.7 Ų132.792%0.91680%0.802SS**  trans-106153.917037.3-27.8000115.1
115G31.3Very low36.7Very low72 Ų72131.7 Ų131.774%0.74280%0.803SS**  trans136.6162.9158.300000114.4
116P47.3Very low37Very low131 Ų131130.6 Ų130.685%0.85180%0.804SS**  cis-135.9150.4-22.537.4-19.4000115.9
117G31.4Very low37.2Very low78 Ų78131.1 Ų131.180%0.80480%0.802SS**  trans63.5174.1152.800000120.2
118P45.3Very low37.8Very low141 Ų141129.2 Ų129.292%0.91680%0.802SS**  cis-134.9177.13.840.8-22.7000115.7
119G31.7Very low38.1Very low82 Ų82135 Ų13585%0.84581%0.806SS**  trans132.3107.6147.300000118.2
120R37.7Very low38.3Very low187 Ų187131.9 Ų131.971%0.70680%0.798SS**  trans-102.2167.6174.9-152.2-156-174.1142.310.4110K122R120-K122 VanDerWaalsContact NH2-CG 3.26Å
121P47.2Very low38.7Very low129 Ų129135.7 Ų135.784%0.83880%0.798SS**  -142.8169.281.129.1-7.2000116.4
122K40.5Very low38.9Very low133 Ų133141.3 Ų141.358%0.57881%0.809SS**  trans-73.1151-176.1-62.9-178.7-179.6172.90113.5R120R120-K122 VanDerWaalsContact NH2-CG 3.26Å
123S40.2Very low38.9Very low125 Ų125141.2 Ų141.287%0.87480%0.802SS**  trans-134.5124.7145.3-54.80000109.9
124K42.4Very low39Very low178 Ų178146 Ų14677%0.77480%0.804SS**  trans-83.2140.8175.4-65172.4177176.90108.7
125N33.8Very low38.6Very low168 Ų168146.3 Ų146.390%0.89879%0.791SS**  trans-145.7122.1142.9-139.58.9000110.5
126L39.4Very low39.4Very low140 Ų140148.8 Ų148.873%0.73379%0.792SS**  trans-81147.4170.7-80.289.2000108.8
127Q38.6Very low39.2Very low180 Ų180148.5 Ų148.584%0.84178%0.783SS**  trans166.3158.3134.5-82.1-109.4-4.500108.5
128P44Very low39.7Very low105 Ų105151.3 Ų151.368%0.68278%0.779SS**  -114.6157.8-71.826.7-8.6000111.8I130P128-I130 PolarHBondContact O-N 3.1Å
129K38.4Very low39.9Very low198 Ų198150.6 Ų150.686%0.86178%0.775SS**  trans-63107.9179.3-168.5160.5-179.3169.30110.7
130I39.5Very low41.1Very low145 Ų145153.4 Ų153.474%0.74477%0.769SS**  trans-78.1116.9156.2-70.4173.8000106P128 E132P128-I130 PolarHBondContact O-N 3.1Å; I130-E132 HydrophobicContact CG2-CG 4.15Å; I130-E132 PolarHBondContact O-N 2.98Å; I130-E132 VanDerWaalsContact O-N 3.1Å
131Q41.9Very low42.2Very low181 Ų181151.8 Ų151.885%0.84677%0.774SS**  trans-64.999.4163.6-86.8171.5-3400107.3
132E35.9Very low42.8Very low176 Ų176150.5 Ų150.582%0.82276%0.764SS**  trans-89.2120.6155.8-83.2-178.6179.600108.2I130 E134I130-E132 HydrophobicContact CG2-CG 4.15Å; I130-E132 PolarHBondContact O-N 2.98Å; I130-E132 VanDerWaalsContact O-N 3.1Å; E132-E134 PolarHBondContact O-N 3.49Å
133Y33.9Very low43.6Very low201 Ų201149 Ų14979%0.78877%0.768SS**  trans-53.9119.9178.7-172.6-101.1000109.9F135Y133-F135 HydrophobicContact CD1-CD2 4.03Å; Y133-F135 AromaticContact CE1-CD2 3.87Å; Y133-F135 HydrophobicContact CE1-CD2 3.87Å; Y133-F135 HydrophobicContact CE1-CE2 4.09Å; Y133-F135 PolarHBondContact O-N 3.41Å
134E35.8Very low44.7Very low175 Ų175154.7 Ų154.782%0.81877%0.77SS**  trans-68.498.8176.4-167.2170.7-15500108.7E132E132-E134 PolarHBondContact O-N 3.49Å
135F35.2Very low45.6Very low148 Ų148153.2 Ų153.265%0.64977%0.77SS**  trans-82.8109.6158-125.3-94.5000106.1Y133 D137Y133-F135 HydrophobicContact CD1-CD2 4.03Å; Y133-F135 AromaticContact CE1-CD2 3.87Å; Y133-F135 HydrophobicContact CE1-CD2 3.87Å; Y133-F135 HydrophobicContact CE1-CE2 4.09Å; Y133-F135 PolarHBondContact O-N 3.41Å; F135-D137 WeakPolarHBondContact CD1-OD1 3.34Å; F135-D137 PolarHBondContact O-N 3.36Å
136T47.3Very low47.3Very low123 Ų123150.8 Ų150.876%0.75576%0.763SS**  trans-71.277.816149.90000107.6
137D42.6Very low48.9Very low126 Ų126153.8 Ų153.867%0.67477%0.77SS**  trans-79.2128.5161.6-87.3-31.6000107.8F135F135-D137 WeakPolarHBondContact CD1-OD1 3.34Å; F135-D137 PolarHBondContact O-N 3.36Å
138D43Very low50.9Low136 Ų136151.2 Ų151.273%0.72776%0.762SS**  trans-45146.2175.3-72.9-56.2000111.8I140D138-I140 VanDerWaalsContact C-N 3.29Å; D138-I140 PolarHBondContact O-N 2.9Å
139P49.9Very low52.8Low127 Ų127149.3 Ų149.383%0.82575%0.746SS**  trans-68.289.9176.527.9-31.6000109.6D141P139-D141 PolarHBondContact O-N 3.34Å
140I56.7Low55.1Low140 Ų140142.5 Ų142.572%0.71873%0.727SS**  trans-70.1109.5158-61.8174.5000105.3D138 V142D138-I140 VanDerWaalsContact C-N 3.29Å; D138-I140 PolarHBondContact O-N 2.9Å; I140-V142 HydrophobicContact CB-CG2 4.25Å; I140-V142 HydrophobicContact CG2-CG2 3.51Å; I140-V142 PolarHBondContact O-N 2.86Å
141D60.3Low57.5Low153 Ų153138.6 Ų138.682%0.81871%0.711SS**  trans-66.672.9170-16717.8000108.9P139 P143P139-D141 PolarHBondContact O-N 3.34Å; D141-P143 WeakPolarHBondContact O-CD 3.49Å
142V58.9Low59.7Low103 Ų103135 Ų13562%0.62470%0.698SS**  trans-76.1116.6168.3-172.70000105.9I140 R144I140-V142 HydrophobicContact CB-CG2 4.25Å; I140-V142 HydrophobicContact CG2-CG2 3.51Å; I140-V142 PolarHBondContact O-N 2.86Å; V142-R144 PolarHBondContact O-N 2.96Å
143P57.3Low62.3Low102 Ų102135 Ų13566%0.66269%0.69SS**  trans-54.1117.6175.7-23.233.2000108.5D141 I145D141-P143 WeakPolarHBondContact O-CD 3.49Å; P143-I145 PolarHBondContact O-N 2.89Å
144R63.8Low65.1Low243 Ų243130.8 Ų130.892%0.91768%0.676SS**  trans-57.8104.6172.4-86-176.7175.5151.70.5107.4V142V142-R144 PolarHBondContact O-N 2.96Å
145I61.1Low67.8Low148 Ų148130 Ų13076%0.75967%0.665SS**PPolyproline II helixtrans-49.7124172.6-59.2167.6000106.2P143 K147P143-I145 PolarHBondContact O-N 2.89Å; I145-K147 PolarHBondContact O-N 3.43Å
146P69.6Low70.5Confident117 Ų117125.9 Ų125.976%0.7666%0.659SS**PPolyproline II helixtrans-51.7121.3178.2-25.233.3000108.2N148P146-N148 PolarHBondContact O-N 3.22Å
147K73.3Confident72.7Confident202 Ų202123.2 Ų123.288%0.87865%0.646SS**PPolyproline II helixtrans-53.6120.3178.7-71.9-174.5176.8-1750107.3I145 D149I145-K147 PolarHBondContact O-N 3.43Å; K147-D149 PolarHBondContact O-N 2.72Å
148N79.9Confident75.2Confident126 Ų126118.9 Ų118.967%0.67462%0.623SS**  trans-64.2100.4178.4-177.68.5000108.3P146 A150 P151P146-N148 PolarHBondContact O-N 3.22Å; N148-A150 VanDerWaalsContact C-N 3.28Å; N148-A150 WeakPolarHBondContact OD1-CB 3.28Å; N148-A150 PolarHBondContact OD1-N 3.44Å; N148-P151 WeakPolarHBondContact O-CD 3.46Å
149D85.3Confident77.6Confident65 Ų65119 Ų11935%0.34862%0.619SS.*  trans-88.10.6179.6-166.445.7000111.7K147 P151 N152 R153K147-D149 PolarHBondContact O-N 2.72Å; D149-P151 VanDerWaalsContact C-CD 3.49Å; D149-P151 VanDerWaalsContact C-N 3.35Å; D149-N152 PolarHBondContact O-N 2.73Å; D149-N152 VanDerWaalsContact O-N 3.13Å; D149-N152 VanDerWaalsContact OD1-CB 3.31Å; D149-N152 WeakPolarHBondContact OD1-CB 3.49Å; D149-N152 PolarHBondContact OD1-ND2 2.96Å; D149-R153 WeakPolarHBondContact O-CG 3.28Å; D149-R153 PolarHBondContact O-N 2.79Å; D149-R153 IonicContact OD2-CZ 2.75Å; D149-R153 IonicContact OD2-NE 2.72Å; D149-R153 PolarHBondContact OD2-NE 3.34Å; D149-R153 VanDerWaalsContact OD2-NE 3.13Å; D149-R153 IonicContact OD2-NH2 3.52Å
150A87Confident79.6Confident55 Ų55117.2 Ų117.246%0.45561%0.608SS.*Hα-helixtrans-56.2-40.9-179.500000113.2N148 N152 R153 F154N148-A150 VanDerWaalsContact C-N 3.28Å; N148-A150 WeakPolarHBondContact OD1-CB 3.28Å; N148-A150 PolarHBondContact OD1-N 3.44Å; A150-N152 PolarHBondContact O-N 2.86Å; A150-R153 PolarHBondContact O-N 3.32Å; A150-F154 WeakPolarHBondContact O-CB 3.49Å; A150-F154 PolarHBondContact O-N 2.64Å
151P88.1Confident81.2Confident64 Ų64120.2 Ų120.242%0.41661%0.612SS.*Hα-helixtrans-62.6-42175.3-23.635.4000112.8N148 D149 F154 W155N148-P151 WeakPolarHBondContact O-CD 3.46Å; D149-P151 VanDerWaalsContact C-CD 3.49Å; D149-P151 VanDerWaalsContact C-N 3.35Å; P151-F154 PolarHBondContact O-N 2.8Å; P151-W155 PolarHBondContact O-N 3Å
152N88.4Confident82.6Confident105 Ų105117.5 Ų117.556%0.56160%0.604SS**Hα-helixtrans-67.9-39.5178.9-62-31.3000111.5D149 A150 W155 A156D149-N152 PolarHBondContact O-N 2.73Å; D149-N152 VanDerWaalsContact O-N 3.13Å; D149-N152 VanDerWaalsContact OD1-CB 3.31Å; D149-N152 WeakPolarHBondContact OD1-CB 3.49Å; D149-N152 PolarHBondContact OD1-ND2 2.96Å; A150-N152 PolarHBondContact O-N 2.86Å; N152-W155 PolarHBondContact O-N 3.5Å; N152-A156 WeakPolarHBondContact O-CB 3.43Å; N152-A156 PolarHBondContact O-N 3.32Å
153R91.1Very high83.9Confident175 Ų175115.5 Ų115.566%0.6660%0.598SS**Hα-helixtrans-65.1-40.1175.8-70.3176.9-175.4-169.5-3.7112.1D149 A150 S157D149-R153 WeakPolarHBondContact O-CG 3.28Å; D149-R153 PolarHBondContact O-N 2.79Å; D149-R153 IonicContact OD2-CZ 2.75Å; D149-R153 IonicContact OD2-NE 2.72Å; D149-R153 PolarHBondContact OD2-NE 3.34Å; D149-R153 VanDerWaalsContact OD2-NE 3.13Å; D149-R153 IonicContact OD2-NH2 3.52Å; A150-R153 PolarHBondContact O-N 3.32Å; R153-S157 WeakPolarHBondContact O-CB 3.26Å; R153-S157 PolarHBondContact O-N 3.34Å; R153-S157 PolarHBondContact O-OG 3.36Å
154F92.3Very high85.6Confident113 Ų113117.7 Ų117.750%0.49660%0.604SS.*Hα-helixtrans-59.2-54.5173.9173.6-96.3000110.2A150 P151 A156 S157 V158A150-F154 WeakPolarHBondContact O-CB 3.49Å; A150-F154 PolarHBondContact O-N 2.64Å; P151-F154 PolarHBondContact O-N 2.8Å; F154-A156 PolarHBondContact O-N 3.1Å; F154-S157 PolarHBondContact O-N 2.97Å; F154-S157 PolarHBondContact O-OG 2.93Å; F154-V158 HydrophobicContact CD1-CG2 4.35Å; F154-V158 HydrophobicContact CD2-CG2 4.39Å; F154-V158 HydrophobicContact CE1-CG2 3.96Å; F154-V158 HydrophobicContact CE2-CG2 4.01Å; F154-V158 HydrophobicContact CZ-CG2 3.78Å; F154-V158 WeakPolarHBondContact O-CG2 3.42Å; F154-V158 PolarHBondContact O-N 3.35Å
155W93.1Very high86.8Confident158 Ų158112.2 Ų112.260%0.59859%0.592SS**Hα-helixtrans-63.9-40.4-179.7-70.3119.4000112.9P151 N152 S157 V158 E159P151-W155 PolarHBondContact O-N 3Å; N152-W155 PolarHBondContact O-N 3.5Å; W155-S157 PolarHBondContact O-N 3.08Å; W155-V158 HydrophobicContact CE3-CB 4.34Å; W155-V158 HydrophobicContact CE3-CG1 4.32Å; W155-V158 HydrophobicContact CZ3-CG1 4.31Å; W155-V158 PolarHBondContact O-N 2.92Å; W155-E159 WeakPolarHBondContact O-CB 3.22Å; W155-E159 PolarHBondContact O-N 3.2Å
156A91.6Very high88.3Confident63 Ų63108.2 Ų108.252%0.52157%0.574SS.*Hα-helixtrans-61.6-29.2174.100000112.9N152 F154 P160N152-A156 WeakPolarHBondContact O-CB 3.43Å; N152-A156 PolarHBondContact O-N 3.32Å; F154-A156 PolarHBondContact O-N 3.1Å; A156-P160 WeakPolarHBondContact O-CD 3.42Å
157S93.9Very high89.3Confident67 Ų67107 Ų10747%0.46957%0.569SS.*Hα-helixtrans-79.7-27.8174.474.30000113.4R153 F154 W155 Y161R153-S157 WeakPolarHBondContact O-CB 3.26Å; R153-S157 PolarHBondContact O-N 3.34Å; R153-S157 PolarHBondContact O-OG 3.36Å; F154-S157 PolarHBondContact O-N 2.97Å; F154-S157 PolarHBondContact O-OG 2.93Å; W155-S157 PolarHBondContact O-N 3.08Å; S157-Y161 VanDerWaalsContact O-CD2 3.26Å; S157-Y161 WeakPolarHBondContact O-CD2 3.46Å; S157-Y161 VanDerWaalsContact O-CE2 3.27Å; S157-Y161 WeakPolarHBondContact O-CE2 3.3Å
158V95.3Very high90.3Very high34 Ų34103.7 Ų103.721%0.20656%0.556CS.*Hα-helixtrans-84.2-34.8-179.8171.90000111.4F154 W155 P160 Y161 C162F154-V158 HydrophobicContact CD1-CG2 4.35Å; F154-V158 HydrophobicContact CD2-CG2 4.39Å; F154-V158 HydrophobicContact CE1-CG2 3.96Å; F154-V158 HydrophobicContact CE2-CG2 4.01Å; F154-V158 HydrophobicContact CZ-CG2 3.78Å; F154-V158 WeakPolarHBondContact O-CG2 3.42Å; F154-V158 PolarHBondContact O-N 3.35Å; W155-V158 HydrophobicContact CE3-CB 4.34Å; W155-V158 HydrophobicContact CE3-CG1 4.32Å; W155-V158 HydrophobicContact CZ3-CG1 4.31Å; W155-V158 PolarHBondContact O-N 2.92Å; V158-P160 VanDerWaalsContact C-CD 3.46Å; V158-Y161 WeakPolarHBondContact O-CB 3.36Å; V158-Y161 PolarHBondContact O-N 3.17Å; V158-C162 VanDerWaalsContact CG1-SG 3.52Å; V158-C162 PolarHBondContact O-N 3.29Å
159E93Very high90.8Very high138 Ų138102.2 Ų102.265%0.64555%0.546SS*.Hα-helixtrans-53.6-40.8-173.4-170.9153.4-166.600114.5W155 Y161 C162 A163W155-E159 WeakPolarHBondContact O-CB 3.22Å; W155-E159 PolarHBondContact O-N 3.2Å; E159-Y161 PolarHBondContact O-N 3.35Å; E159-C162 CarbonylContact O-C 3.56Å; E159-C162 PolarHBondContact O-N 2.88Å; E159-C162 VanDerWaalsContact O-N 3.17Å; E159-A163 WeakPolarHBondContact O-CB 3.23Å; E159-A163 PolarHBondContact O-N 2.95Å
160P90.8Very high91.2Very high90 Ų90101.6 Ų101.658%0.58454%0.544SS*.Hα-helixtrans-61.5-28.6174.9-23.534.6000114.3A156 V158A156-P160 WeakPolarHBondContact O-CD 3.42Å; V158-P160 VanDerWaalsContact C-CD 3.46Å
161Y90.3Very high91.5Very high203 Ų203106.2 Ų106.280%0.79655%0.549SS*.Hα-helixtrans-88-15.5179.9-57.4-78.9000113S157 V158 E159S157-Y161 VanDerWaalsContact O-CD2 3.26Å; S157-Y161 WeakPolarHBondContact O-CD2 3.46Å; S157-Y161 VanDerWaalsContact O-CE2 3.27Å; S157-Y161 WeakPolarHBondContact O-CE2 3.3Å; V158-Y161 WeakPolarHBondContact O-CB 3.36Å; V158-Y161 PolarHBondContact O-N 3.17Å; E159-Y161 PolarHBondContact O-N 3.35Å
162C90.1Very high91.7Very high96 Ų96106.4 Ų106.465%0.64955%0.549SS*.Hα-helixtrans-106.4-0176.7-61.40000112.8V158 E159V158-C162 VanDerWaalsContact CG1-SG 3.52Å; V158-C162 PolarHBondContact O-N 3.29Å; E159-C162 CarbonylContact O-C 3.56Å; E159-C162 PolarHBondContact O-N 2.88Å; E159-C162 VanDerWaalsContact O-N 3.17Å
163A87.9Confident91.8Very high61 Ų61103.2 Ų103.250%0.50453%0.532SS..SBendtrans-68.3150.7176.200000111.1E159E159-A163 WeakPolarHBondContact O-CB 3.23Å; E159-A163 PolarHBondContact O-N 2.95Å
164D91.2Very high91.8Very high148 Ų148100 Ų10079%0.79153%0.525SS*.PPolyproline II helixtrans-63.1142.3173.1-67.3-38.7000110.6T166D164-T166 PolarHBondContact O-N 3.33Å
165I90Very high91.8Very high128 Ų128100.7 Ų100.766%0.65653%0.529SS*.PPolyproline II helixtrans-62.8121.7176.5-59.1173.7000109.4E169 V170I165-E169 HydrophobicContact CG2-CB 4.3Å; I165-V170 HydrophobicContact CG2-CG2 3.85Å
166T91.8Very high91.6Very high64 Ų6497.5 Ų97.539%0.39352%0.524SS..PPolyproline II helixtrans-84.3155.6-179.5690000112D164 E168 E169 V170D164-T166 PolarHBondContact O-N 3.33Å; T166-E168 PolarHBondContact O-N 3.17Å; T166-E169 WeakPolarHBondContact CB-OE2 3.45Å; T166-E169 PolarHBondContact N-OE2 3.08Å; T166-E169 PolarHBondContact O-N 3.18Å; T166-E169 VanDerWaalsContact O-N 3.17Å; T166-E169 VanDerWaalsContact OG1-CG 3.3Å; T166-E169 WeakPolarHBondContact OG1-CG 3.49Å; T166-E169 PolarHBondContact OG1-N 3.15Å; T166-E169 PolarHBondContact OG1-OE2 3.45Å; T166-V170 PolarHBondContact O-N 3.18Å; T166-V170 VanDerWaalsContact O-N 3.15Å
167S91.9Very high91.4Very high92 Ų9296.4 Ų96.464%0.64351%0.509SS*.Hα-helixtrans-61.6-22.5174.463.80000114.3R171S167-R171 WeakPolarHBondContact O-CB 3.5Å; S167-R171 PolarHBondContact O-N 3.14Å; S167-R171 VanDerWaalsContact O-N 3.08Å
168E93.2Very high91.1Very high132 Ų132100.1 Ų100.162%0.61752%0.517SS*.Hα-helixtrans-74.5-40175.8-177.2170.4-169.600111.4T166 R171 T172T166-E168 PolarHBondContact O-N 3.17Å; E168-R171 PolarHBondContact O-N 3.33Å; E168-T172 WeakPolarHBondContact O-CB 3.38Å; E168-T172 PolarHBondContact O-N 3.27Å; E168-T172 PolarHBondContact O-OG1 2.8Å
169E91.3Very high90.3Very high96 Ų96102.9 Ų102.945%0.44954%0.535SS..Hα-helixtrans-66.3-40.8175.2-70158.9150.800111.4I165 T166 T172 L173I165-E169 HydrophobicContact CG2-CB 4.3Å; T166-E169 WeakPolarHBondContact CB-OE2 3.45Å; T166-E169 PolarHBondContact N-OE2 3.08Å; T166-E169 PolarHBondContact O-N 3.18Å; T166-E169 VanDerWaalsContact O-N 3.17Å; T166-E169 VanDerWaalsContact OG1-CG 3.3Å; T166-E169 WeakPolarHBondContact OG1-CG 3.49Å; T166-E169 PolarHBondContact OG1-N 3.15Å; T166-E169 PolarHBondContact OG1-OE2 3.45Å; E169-T172 WeakPolarHBondContact O-CB 3.42Å; E169-T172 PolarHBondContact O-N 3.27Å; E169-L173 WeakPolarHBondContact O-CG 3.23Å; E169-L173 PolarHBondContact O-N 3.11Å
170V92.4Very high89.6Confident51 Ų5199.9 Ų99.931%0.30953%0.528SS..Hα-helixtrans-59.9-48.3172.1176.10000110.9I165 T166 T172 L173 E174 L368I165-V170 HydrophobicContact CG2-CG2 3.85Å; T166-V170 PolarHBondContact O-N 3.18Å; T166-V170 VanDerWaalsContact O-N 3.15Å; V170-T172 VanDerWaalsContact C-N 3.29Å; V170-T172 PolarHBondContact O-N 3.26Å; V170-L173 WeakPolarHBondContact O-CB 3.46Å; V170-L173 PolarHBondContact O-N 2.87Å; V170-L173 VanDerWaalsContact O-N 3.17Å; V170-E174 HydrophobicContact CG1-CG 4.49Å; V170-E174 WeakPolarHBondContact O-CG 3.38Å; V170-E174 PolarHBondContact O-N 3.07Å; V170-L368 HydrophobicContact CG1-CD2 3.97Å
171R94Very high88.8Confident152 Ų152104.9 Ų104.957%0.57454%0.543SS*.Hα-helixtrans-60.1-39.8177.5-171.9-169.8-56153.47.1112S167 E168 E174 E175S167-R171 WeakPolarHBondContact O-CB 3.5Å; S167-R171 PolarHBondContact O-N 3.14Å; S167-R171 VanDerWaalsContact O-N 3.08Å; E168-R171 PolarHBondContact O-N 3.33Å; R171-E174 PolarHBondContact O-N 2.8Å; R171-E175 PolarHBondContact O-N 3.11Å
172T92.4Very high88.1Confident68 Ų6899.5 Ų99.542%0.41753%0.528SS..Hα-helixtrans-63.1-44.3176.8-57.90000110.8E168 E169 V170 E175 L176E168-T172 WeakPolarHBondContact O-CB 3.38Å; E168-T172 PolarHBondContact O-N 3.27Å; E168-T172 PolarHBondContact O-OG1 2.8Å; E169-T172 WeakPolarHBondContact O-CB 3.42Å; E169-T172 PolarHBondContact O-N 3.27Å; V170-T172 VanDerWaalsContact C-N 3.29Å; V170-T172 PolarHBondContact O-N 3.26Å; T172-E175 PolarHBondContact O-N 2.82Å; T172-L176 HydrophobicContact CG2-CD1 4.2Å; T172-L176 WeakPolarHBondContact O-CB 3.46Å; T172-L176 VanDerWaalsContact O-CG 3.26Å; T172-L176 WeakPolarHBondContact O-CG 3.39Å; T172-L176 PolarHBondContact O-N 3.06Å
173L90.4Very high87.5Confident39 Ų3996.8 Ų96.820%0.20451%0.506CS..Hα-helixtrans-63-41.2175.2-74.5170.6000112.3E169 V170 L176 L177 L367 L368E169-L173 WeakPolarHBondContact O-CG 3.23Å; E169-L173 PolarHBondContact O-N 3.11Å; V170-L173 WeakPolarHBondContact O-CB 3.46Å; V170-L173 PolarHBondContact O-N 2.87Å; V170-L173 VanDerWaalsContact O-N 3.17Å; L173-L176 PolarHBondContact O-N 2.88Å; L173-L177 WeakPolarHBondContact O-CG 3.38Å; L173-L177 PolarHBondContact O-N 3.02Å; L173-L177 VanDerWaalsContact O-N 3.1Å; L173-L367 HydrophobicContact CD1-CB 4.32Å; L173-L367 HydrophobicContact CD2-CD1 4.44Å; L173-L368 HydrophobicContact CB-CD2 3.79Å; L173-L368 HydrophobicContact CB-CG 4.24Å; L173-L368 HydrophobicContact CD1-CD2 4.15Å
174E91.7Very high87Confident106 Ų10697.4 Ų97.450%0.49551%0.511SS..Hα-helixtrans-62.5-41175-71.8175.2163.400112.5V170 R171 L177 K178 L368V170-E174 HydrophobicContact CG1-CG 4.49Å; V170-E174 WeakPolarHBondContact O-CG 3.38Å; V170-E174 PolarHBondContact O-N 3.07Å; R171-E174 PolarHBondContact O-N 2.8Å; E174-L177 PolarHBondContact O-N 3.05Å; E174-K178 PolarHBondContact O-N 3.13Å; E174-L368 HydrophobicContact CG-CD1 4.19Å; E174-L368 HydrophobicContact CG-CD2 4.44Å
175E91.6Very high86.7Confident128 Ų12895.6 Ų95.660%0.59850%0.498SS*.Hα-helixtrans-64.5-44174.9-175.7172.3-173.200111.5R171 T172 L177 K178R171-E175 PolarHBondContact O-N 3.11Å; T172-E175 PolarHBondContact O-N 2.82Å; E175-L177 PolarHBondContact O-N 3.49Å; E175-K178 WeakPolarHBondContact O-CB 3.46Å; E175-K178 PolarHBondContact O-N 2.9Å; E175-K178 VanDerWaalsContact O-N 3.08Å
176L88.9Confident86.2Confident92 Ų9295.8 Ų95.848%0.48250%0.496SS..Hα-helixtrans-67.5-13.1177.2-73.3176.5000114.5T172 L173 K364T172-L176 HydrophobicContact CG2-CD1 4.2Å; T172-L176 WeakPolarHBondContact O-CB 3.46Å; T172-L176 VanDerWaalsContact O-CG 3.26Å; T172-L176 WeakPolarHBondContact O-CG 3.39Å; T172-L176 PolarHBondContact O-N 3.06Å; L173-L176 PolarHBondContact O-N 2.88Å; L176-K364 HydrophobicContact CB-CD 4.35Å; L176-K364 PolarHBondContact O-NZ 3.29Å
177L87.9Confident85.9Confident39 Ų3994.6 Ų94.620%0.20449%0.485CS..Hα-helixtrans-90.9-15.1174-86162000113L173 E174 E175 K364 H365 L368L173-L177 WeakPolarHBondContact O-CG 3.38Å; L173-L177 PolarHBondContact O-N 3.02Å; L173-L177 VanDerWaalsContact O-N 3.1Å; E174-L177 PolarHBondContact O-N 3.05Å; E175-L177 PolarHBondContact O-N 3.49Å; L177-K364 HydrophobicContact CD1-CB 4.41Å; L177-K364 HydrophobicContact CD2-CB 3.82Å; L177-K364 HydrophobicContact CG-CB 3.98Å; L177-H365 HydrophobicContact CD2-CB 4.31Å; L177-L368 HydrophobicContact CD1-CD1 3.26Å; L177-L368 HydrophobicContact CD1-CG 4.17Å
178K87.8Confident85.8Confident146 Ų14696.7 Ų96.764%0.63548%0.482SS*.SBendtrans-62.6130.7174.3-67.7178.3-178171.10109E174 E175E174-K178 PolarHBondContact O-N 3.13Å; E175-K178 WeakPolarHBondContact O-CB 3.46Å; E175-K178 PolarHBondContact O-N 2.9Å; E175-K178 VanDerWaalsContact O-N 3.08Å
179P78Confident85.5Confident91 Ų9193.1 Ų93.159%0.59147%0.466SS*.PPolyproline II helixtrans-60.3134.9174.424.8-31.4000108.9E181P179-E181 PolarHBondContact O-N 3.35Å
180P77.5Confident85.2Confident76 Ų7693.5 Ų93.549%0.49448%0.477SS..PPolyproline II helixtrans-59.7133.4172.5-3.110.7000109D182 E183P180-D182 PolarHBondContact O-N 3.18Å; P180-D182 VanDerWaalsContact O-N 3.11Å; P180-E183 HydrophobicContact CB-CB 4.25Å; P180-E183 HydrophobicContact CG-CB 3.98Å; P180-E183 WeakPolarHBondContact O-CB 3.33Å; P180-E183 PolarHBondContact O-N 2.88Å
181E73.9Confident84.8Confident194 Ų19496.8 Ų96.891%0.90750%0.5SS*.THydrogen-bonded Turntrans-55.6-32.3-178.8-68.3-170.6161.300111.9P179P179-E181 PolarHBondContact O-N 3.35Å
182D75.6Confident84.2Confident90 Ų9096.6 Ų96.648%0.48151%0.509SS..THydrogen-bonded Turntrans-100.413.5-177.3-56.2-40.3000114P180 A184 E185 H186P180-D182 PolarHBondContact O-N 3.18Å; P180-D182 VanDerWaalsContact O-N 3.11Å; D182-A184 PolarHBondContact O-N 2.85Å; D182-A184 VanDerWaalsContact O-N 3.08Å; D182-E185 HydrophobicContact CB-CB 4.42Å; D182-E185 HydrophobicContact CB-CG 4.25Å; D182-E185 WeakPolarHBondContact O-CB 3.31Å; D182-E185 PolarHBondContact O-N 2.75Å; D182-H186 PolarHBondContact O-CE1 2.98Å; D182-H186 PolarHBondContact O-N 2.96Å; D182-H186 PolarHBondContact O-ND1 3.08Å
183E77.9Confident83.9Confident39 Ų3996.6 Ų96.618%0.18252%0.523CS..THydrogen-bonded Turntrans-53.2-37.6-175-178.8166.7-147.100112.3P180 E185 H186 Y187 R361P180-E183 HydrophobicContact CB-CB 4.25Å; P180-E183 HydrophobicContact CG-CB 3.98Å; P180-E183 WeakPolarHBondContact O-CB 3.33Å; P180-E183 PolarHBondContact O-N 2.88Å; E183-E185 VanDerWaalsContact C-N 3.3Å; E183-E185 PolarHBondContact O-N 3.04Å; E183-H186 PolarHBondContact O-N 2.92Å; E183-Y187 HydrophobicContact CG-CE2 3.78Å; E183-Y187 WeakPolarHBondContact O-CD2 3.25Å; E183-Y187 VanDerWaalsContact O-CE2 3.23Å; E183-Y187 WeakPolarHBondContact O-CE2 3.29Å; E183-R361 IonicContact OE1-CZ 3.94Å; E183-R361 IonicContact OE1-NH1 3.8Å; E183-R361 PolarHBondContact OE1-NH1 2.9Å; E183-R361 IonicContact OE1-NH2 3.4Å; E183-R361 PolarHBondContact OE1-NH2 2.87Å; E183-R361 IonicContact OE2-CZ 3.56Å; E183-R361 IonicContact OE2-NH1 3.93Å; E183-R361 PolarHBondContact OE2-NH1 3.44Å; E183-R361 IonicContact OE2-NH2 2.79Å; E183-R361 PolarHBondContact OE2-NH2 2.89Å
184A78.3Confident83.7Confident74 Ų74101 Ų10161%0.61254%0.541SS*.THydrogen-bonded Turntrans-67.8-27177.700000113.7D182D182-A184 PolarHBondContact O-N 2.85Å; D182-A184 VanDerWaalsContact O-N 3.08Å
185E83.6Confident83.4Confident111 Ų111100.4 Ų100.452%0.51954%0.538SS..G310 helixtrans-75.3-33.7-178.5-50.8-142.2124.300112D182 E183 Y187 K188D182-E185 HydrophobicContact CB-CB 4.42Å; D182-E185 HydrophobicContact CB-CG 4.25Å; D182-E185 WeakPolarHBondContact O-CB 3.31Å; D182-E185 PolarHBondContact O-N 2.75Å; E183-E185 VanDerWaalsContact C-N 3.3Å; E183-E185 PolarHBondContact O-N 3.04Å; E185-Y187 PolarHBondContact O-N 2.91Å; E185-Y187 VanDerWaalsContact O-N 3.12Å; E185-K188 PolarHBondContact O-N 3.01Å; E185-K188 IonicContact OE1-NZ 2.8Å; E185-K188 PolarHBondContact OE1-NZ 2.96Å; E185-K188 VanDerWaalsContact OE1-NZ 3.08Å
186H80.8Confident83.1Confident132 Ų132100.9 Ų100.961%0.61154%0.535SS*.G310 helixtrans-62.8-18.8178-64.785.2000113.5D182 E183D182-H186 PolarHBondContact O-CE1 2.98Å; D182-H186 PolarHBondContact O-N 2.96Å; D182-H186 PolarHBondContact O-ND1 3.08Å; E183-H186 PolarHBondContact O-N 2.92Å
187Y85.6Confident83Confident39 Ų3999.3 Ų99.315%0.15353%0.531CS..G310 helixtrans-102.30.8178.3-56.4-69.1000113.6E183 E185 I189 Q350 L353 K354E183-Y187 HydrophobicContact CG-CE2 3.78Å; E183-Y187 WeakPolarHBondContact O-CD2 3.25Å; E183-Y187 VanDerWaalsContact O-CE2 3.23Å; E183-Y187 WeakPolarHBondContact O-CE2 3.29Å; E185-Y187 PolarHBondContact O-N 2.91Å; E185-Y187 VanDerWaalsContact O-N 3.12Å; Y187-I189 PolarHBondContact O-N 3.46Å; Y187-Q350 HydrophobicContact CD1-CB 4.22Å; Y187-Q350 HydrophobicContact CD1-CG 4.17Å; Y187-Q350 PolarHBondContact O-NE2 3.46Å; Y187-L353 HydrophobicContact CE1-CB 4.46Å; Y187-L353 HydrophobicContact CE1-CD2 3.96Å; Y187-L353 HydrophobicContact CE1-CG 4.21Å; Y187-K354 HydrophobicContact CD1-CG 4.27Å; Y187-K354 HydrophobicContact CE1-CD 4.38Å; Y187-K354 HydrophobicContact CE1-CG 3.65Å; Y187-K354 HydrophobicContact CE2-CG 4.43Å
188K88.6Confident82.9Confident135 Ų135103.2 Ų103.259%0.58755%0.548SS*.PPolyproline II helixtrans-76.5119.3177.3-69.7175.6-173.11660109.7E185E185-K188 PolarHBondContact O-N 3.01Å; E185-K188 IonicContact OE1-NZ 2.8Å; E185-K188 PolarHBondContact OE1-NZ 2.96Å; E185-K188 VanDerWaalsContact OE1-NZ 3.08Å
189I87.1Confident82.9Confident57 Ų57102.3 Ų102.329%0.29254%0.541SS..PPolyproline II helixtrans-88.2120.5169.3-55.8-179000107.4Y187 L343 L346 R347 Q350Y187-I189 PolarHBondContact O-N 3.46Å; I189-L343 HydrophobicContact CD1-CD1 3.82Å; I189-L343 HydrophobicContact CG2-CD1 3.98Å; I189-L346 HydrophobicContact CD1-CB 4.16Å; I189-R347 HydrophobicContact CD1-CG 4.02Å; I189-Q350 VanDerWaalsContact CG1-NE2 3.32Å
190P85.6Confident83.6Confident104 Ų104105.1 Ų105.168%0.67554%0.54SS*.PPolyproline II helixtrans-60.3148.9175.8-2334000111.7
191P83.4Confident84.2Confident121 Ų121104.4 Ų104.479%0.78654%0.54SS*.PPolyproline II helixtrans-64.1151.8173.529-34.6000110.8G193P191-G193 PolarHBondContact O-N 3.43Å
192L82.6Confident84.9Confident148 Ų148100.4 Ų100.478%0.77552%0.522SS*.PPolyproline II helixtrans-60.2130.8171.7-71.6167.2000109.6
193G84.1Confident85.6Confident68 Ų68100.3 Ų100.370%0.70152%0.518SS*.  trans-75.3179.9173.900000112.3P191 H195P191-G193 PolarHBondContact O-N 3.43Å; G193-H195 PolarHBondContact O-N 2.81Å
194K86.4Confident86.2Confident132 Ų132102.8 Ų102.857%0.57453%0.533SS*.  trans-60.1138.6171-65.3-172.8-178.5-172.50110.3R199 Q202K194-R199 HydrophobicContact CB-CG 3.89Å; K194-Q202 VanDerWaalsContact NZ-OE1 3.14Å
195H86.8Confident86.6Confident93 Ų93104.9 Ų104.943%0.43153%0.533SS..  trans-59.5144.5177-168.4-97.7000111.3G193 S197 Q198 R199G193-H195 PolarHBondContact O-N 2.81Å; H195-S197 VanDerWaalsContact C-N 3.25Å; H195-S197 PolarHBondContact ND1-N 2.69Å; H195-S197 PolarHBondContact ND1-OG 3.44Å; H195-S197 PolarHBondContact O-N 3.12Å; H195-Q198 PolarHBondContact O-N 3.4Å; H195-Q198 VanDerWaalsContact O-N 3.08Å; H195-R199 PolarHBondContact O-N 3.45Å
196Y85.6Confident86.8Confident138 Ų138105 Ų10554%0.54154%0.537SS..Hα-helixtrans-58.9-36-17459.9-94.9000112.4Q198 R199 W200Y196-Q198 PolarHBondContact O-N 2.91Å; Y196-R199 WeakPolarHBondContact O-CB 3.07Å; Y196-R199 PolarHBondContact O-N 3.39Å; Y196-W200 HydrophobicContact CD2-CD2 4.3Å; Y196-W200 AromaticContact CD2-CE3 3.82Å; Y196-W200 HydrophobicContact CD2-CE3 3.82Å; Y196-W200 AromaticContact CD2-CH2 3.76Å; Y196-W200 HydrophobicContact CD2-CH2 3.76Å; Y196-W200 HydrophobicContact CD2-CZ2 4.23Å; Y196-W200 AromaticContact CD2-CZ3 3.54Å; Y196-W200 HydrophobicContact CD2-CZ3 3.54Å; Y196-W200 HydrophobicContact CE2-CE3 4.47Å; Y196-W200 HydrophobicContact CE2-CH2 4.3Å; Y196-W200 AromaticContact CE2-CZ3 3.93Å; Y196-W200 HydrophobicContact CE2-CZ3 3.93Å; Y196-W200 WeakPolarHBondContact O-CB 3.39Å; Y196-W200 VanDerWaalsContact O-CG 3.24Å; Y196-W200 PolarHBondContact O-N 3.06Å
197S85.9Confident87Confident58 Ų58104.1 Ų104.141%0.40653%0.533SS..Hα-helixtrans-63.4-38.9177.562.30000112.9H195 A201H195-S197 VanDerWaalsContact C-N 3.25Å; H195-S197 PolarHBondContact ND1-N 2.69Å; H195-S197 PolarHBondContact ND1-OG 3.44Å; H195-S197 PolarHBondContact O-N 3.12Å; S197-A201 WeakPolarHBondContact O-CB 3.49Å; S197-A201 PolarHBondContact O-N 3.5Å
198Q85.3Confident86.9Confident121 Ų121109.1 Ų109.157%0.56556%0.558SS**Hα-helixtrans-69.7-37.6174.8-67.5-178.98.100111.2H195 Y196 Q202H195-Q198 PolarHBondContact O-N 3.4Å; H195-Q198 VanDerWaalsContact O-N 3.08Å; Y196-Q198 PolarHBondContact O-N 2.91Å; Q198-Q202 VanDerWaalsContact O-CB 3.26Å; Q198-Q202 WeakPolarHBondContact O-CB 3.28Å; Q198-Q202 PolarHBondContact O-N 3.46Å
199R89.2Confident86.6Confident128 Ų128109.1 Ų109.148%0.48356%0.56SS.*Hα-helixtrans-64.7-45.3175.4-72.7-164.660.5-148.9-12.6111.7K194 H195 Y196 Q202 E203K194-R199 HydrophobicContact CB-CG 3.89Å; H195-R199 PolarHBondContact O-N 3.45Å; Y196-R199 WeakPolarHBondContact O-CB 3.07Å; Y196-R199 PolarHBondContact O-N 3.39Å; R199-Q202 PolarHBondContact O-N 2.74Å; R199-E203 IonicContact CZ-OE1 2.7Å; R199-E203 IonicContact NE-OE1 2.9Å; R199-E203 IonicContact NH2-OE1 3.87Å; R199-E203 PolarHBondContact NH2-OE1 3.39Å; R199-E203 WeakPolarHBondContact O-CB 3.19Å; R199-E203 VanDerWaalsContact O-CG 3.23Å; R199-E203 WeakPolarHBondContact O-CG 3.28Å; R199-E203 PolarHBondContact O-N 2.86Å
200W92.4Very high86.3Confident149 Ų149112.1 Ų112.156%0.56457%0.571SS**Hα-helixtrans-64.3-47.7176.7-66.6-20.7000111.5Y196 Q202 E203 D204Y196-W200 HydrophobicContact CD2-CD2 4.3Å; Y196-W200 AromaticContact CD2-CE3 3.82Å; Y196-W200 HydrophobicContact CD2-CE3 3.82Å; Y196-W200 AromaticContact CD2-CH2 3.76Å; Y196-W200 HydrophobicContact CD2-CH2 3.76Å; Y196-W200 HydrophobicContact CD2-CZ2 4.23Å; Y196-W200 AromaticContact CD2-CZ3 3.54Å; Y196-W200 HydrophobicContact CD2-CZ3 3.54Å; Y196-W200 HydrophobicContact CE2-CE3 4.47Å; Y196-W200 HydrophobicContact CE2-CH2 4.3Å; Y196-W200 AromaticContact CE2-CZ3 3.93Å; Y196-W200 HydrophobicContact CE2-CZ3 3.93Å; Y196-W200 WeakPolarHBondContact O-CB 3.39Å; Y196-W200 VanDerWaalsContact O-CG 3.24Å; Y196-W200 PolarHBondContact O-N 3.06Å; W200-Q202 PolarHBondContact O-N 3.07Å; W200-E203 CarbonylContact O-C 3.37Å; W200-E203 PolarHBondContact O-N 3.08Å; W200-D204 WeakPolarHBondContact O-CB 3.4Å; W200-D204 PolarHBondContact O-N 3.05Å
201A89.6Confident86Confident61 Ų61110.7 Ų110.750%0.50456%0.557SS.*Hα-helixtrans-57.3-38.8175.100000112.4S197 L205S197-A201 WeakPolarHBondContact O-CB 3.49Å; S197-A201 PolarHBondContact O-N 3.5Å; A201-L205 VanDerWaalsContact O-CB 3.29Å; A201-L205 WeakPolarHBondContact O-CB 3.42Å; A201-L205 PolarHBondContact O-N 2.95Å; A201-L205 VanDerWaalsContact O-N 3.13Å
202Q88.9Confident85.5Confident111 Ų111106.8 Ų106.852%0.51954%0.54SS..Hα-helixtrans-69.5-39.8175.2-174.5177.8000112.4K194 Q198 R199 W200 L206K194-Q202 VanDerWaalsContact NZ-OE1 3.14Å; Q198-Q202 VanDerWaalsContact O-CB 3.26Å; Q198-Q202 WeakPolarHBondContact O-CB 3.28Å; Q198-Q202 PolarHBondContact O-N 3.46Å; R199-Q202 PolarHBondContact O-N 2.74Å; W200-Q202 PolarHBondContact O-N 3.07Å; Q202-L206 WeakPolarHBondContact O-CB 3.48Å; Q202-L206 PolarHBondContact O-N 3.1Å; Q202-L206 VanDerWaalsContact O-N 3.15Å
203E89.1Confident84.8Confident87 Ų87102.6 Ų102.641%0.40753%0.526SS..Hα-helixtrans-69.1-45.1179-76.6167.5-167.300111.4R199 W200 L206 E207R199-E203 IonicContact CZ-OE1 2.7Å; R199-E203 IonicContact NE-OE1 2.9Å; R199-E203 IonicContact NH2-OE1 3.87Å; R199-E203 PolarHBondContact NH2-OE1 3.39Å; R199-E203 WeakPolarHBondContact O-CB 3.19Å; R199-E203 VanDerWaalsContact O-CG 3.23Å; R199-E203 WeakPolarHBondContact O-CG 3.28Å; R199-E203 PolarHBondContact O-N 2.86Å; W200-E203 CarbonylContact O-C 3.37Å; W200-E203 PolarHBondContact O-N 3.08Å; E203-L206 WeakPolarHBondContact O-CB 3.03Å; E203-L206 PolarHBondContact O-N 2.99Å; E203-E207 WeakPolarHBondContact O-CB 3.4Å; E203-E207 PolarHBondContact O-N 3.11Å
204D90.3Very high84Confident92 Ų92105.7 Ų105.749%0.49252%0.517SS..Hα-helixtrans-60.6-46176.3-66.7-9.8000110.7W200 L206 E207 E208W200-D204 WeakPolarHBondContact O-CB 3.4Å; W200-D204 PolarHBondContact O-N 3.05Å; D204-L206 VanDerWaalsContact C-N 3.29Å; D204-L206 PolarHBondContact O-N 3.21Å; D204-E207 WeakPolarHBondContact O-CB 3.48Å; D204-E207 PolarHBondContact O-N 3.28Å; D204-E207 VanDerWaalsContact O-N 3.15Å; D204-E208 PolarHBondContact O-N 3.31Å
205L87Confident82.9Confident117 Ų117102.3 Ų102.361%0.61351%0.513SS*.Hα-helixtrans-60.5-40.3175.9-178.965.2000111.9A201 E207 Q209A201-L205 VanDerWaalsContact O-CB 3.29Å; A201-L205 WeakPolarHBondContact O-CB 3.42Å; A201-L205 PolarHBondContact O-N 2.95Å; A201-L205 VanDerWaalsContact O-N 3.13Å; L205-E207 VanDerWaalsContact C-N 3.34Å; L205-Q209 WeakPolarHBondContact O-CB 3.33Å; L205-Q209 PolarHBondContact O-N 2.83Å
206L87.4Confident81.6Confident113 Ų113100.4 Ų100.459%0.59251%0.514SS*.Hα-helixtrans-70.6-33.6178.2-160.573.8000111.4Q202 E203 D204 K210Q202-L206 WeakPolarHBondContact O-CB 3.48Å; Q202-L206 PolarHBondContact O-N 3.1Å; Q202-L206 VanDerWaalsContact O-N 3.15Å; E203-L206 WeakPolarHBondContact O-CB 3.03Å; E203-L206 PolarHBondContact O-N 2.99Å; D204-L206 VanDerWaalsContact C-N 3.29Å; D204-L206 PolarHBondContact O-N 3.21Å; L206-K210 VanDerWaalsContact O-CB 3.26Å; L206-K210 WeakPolarHBondContact O-CB 3.49Å; L206-K210 PolarHBondContact O-N 3.24Å
207E86.9Confident80.3Confident115 Ų11596.6 Ų96.654%0.53751%0.511SS..Hα-helixtrans-66.5-47.7173.6-174163.6-132.800111.2E203 D204 L205 Q209 K210 D211E203-E207 WeakPolarHBondContact O-CB 3.4Å; E203-E207 PolarHBondContact O-N 3.11Å; D204-E207 WeakPolarHBondContact O-CB 3.48Å; D204-E207 PolarHBondContact O-N 3.28Å; D204-E207 VanDerWaalsContact O-N 3.15Å; L205-E207 VanDerWaalsContact C-N 3.34Å; E207-Q209 VanDerWaalsContact C-N 3.34Å; E207-Q209 PolarHBondContact O-N 3.48Å; E207-K210 WeakPolarHBondContact O-CB 3.35Å; E207-K210 PolarHBondContact O-N 3.11Å; E207-K210 VanDerWaalsContact O-N 3.12Å; E207-D211 WeakPolarHBondContact O-CB 3.4Å; E207-D211 PolarHBondContact O-N 3.43Å
208E82.1Confident79Confident143 Ų14398.9 Ų98.967%0.66852%0.522SS*.Hα-helixtrans-60.1-41.8174-73.5-167.1159.400112.1D204 K210 D211 G212D204-E208 PolarHBondContact O-N 3.31Å; E208-K210 VanDerWaalsContact C-N 3.31Å; E208-K210 PolarHBondContact O-N 3.2Å; E208-D211 PolarHBondContact O-N 2.77Å; E208-G212 PolarHBondContact O-N 2.99Å
209Q82.1Confident77.7Confident136 Ų13696 Ų9664%0.63652%0.518SS*.Hα-helixtrans-62.8-40.7175.6-171.4-176.839.400111.4L205 E207 A213L205-Q209 WeakPolarHBondContact O-CB 3.33Å; L205-Q209 PolarHBondContact O-N 2.83Å; E207-Q209 VanDerWaalsContact C-N 3.34Å; E207-Q209 PolarHBondContact O-N 3.48Å; Q209-A213 VanDerWaalsContact O-CB 3.25Å; Q209-A213 WeakPolarHBondContact O-CB 3.44Å; Q209-A213 PolarHBondContact O-N 2.95Å
210K81.6Confident75.9Confident120 Ų12096.3 Ų96.352%0.52253%0.53SS..Hα-helixtrans-70.6-38.7179.6-173.9-178.5179.5-172.90111.8L206 E207 E208 A213 R214L206-K210 VanDerWaalsContact O-CB 3.26Å; L206-K210 WeakPolarHBondContact O-CB 3.49Å; L206-K210 PolarHBondContact O-N 3.24Å; E207-K210 WeakPolarHBondContact O-CB 3.35Å; E207-K210 PolarHBondContact O-N 3.11Å; E207-K210 VanDerWaalsContact O-N 3.12Å; E208-K210 VanDerWaalsContact C-N 3.31Å; E208-K210 PolarHBondContact O-N 3.2Å; K210-A213 PolarHBondContact O-N 3.44Å; K210-R214 WeakPolarHBondContact O-CB 3.38Å; K210-R214 WeakPolarHBondContact O-CD 3.49Å; K210-R214 WeakPolarHBondContact O-CG 3.32Å; K210-R214 PolarHBondContact O-N 3.24Å
211D78.4Confident74.2Confident73 Ų7398.4 Ų98.439%0.3954%0.543SS..Hα-helixtrans-75.6-34.3177.6-77.3-8.7000111.9E207 E208 R214 A215E207-D211 WeakPolarHBondContact O-CB 3.4Å; E207-D211 PolarHBondContact O-N 3.43Å; E208-D211 PolarHBondContact O-N 2.77Å; D211-R214 PolarHBondContact O-N 3.23Å; D211-R214 WeakPolarHBondContact OD1-CD 3.48Å; D211-R214 IonicContact OD1-CZ 3.97Å; D211-R214 IonicContact OD1-NH1 3.98Å; D211-R214 PolarHBondContact OD1-NH1 3.42Å; D211-A215 VanDerWaalsContact O-CB 3.3Å; D211-A215 WeakPolarHBondContact O-CB 3.38Å; D211-A215 PolarHBondContact O-N 2.74Å
212G72.7Confident72.7Confident40 Ų40104.4 Ų104.441%0.41256%0.558SS.*Hα-helixtrans-61.9-43.1166.400000112.5E208 A215 A216E208-G212 PolarHBondContact O-N 2.99Å; G212-A215 PolarHBondContact O-N 3.47Å; G212-A216 WeakPolarHBondContact O-CB 3.26Å; G212-A216 PolarHBondContact O-N 3.45Å
213A68.8Low70.6Confident59 Ų59106.3 Ų106.349%0.48856%0.564SS.*Hα-helixtrans-66.4-36.4174.600000112.5Q209 K210 A217Q209-A213 VanDerWaalsContact O-CB 3.25Å; Q209-A213 WeakPolarHBondContact O-CB 3.44Å; Q209-A213 PolarHBondContact O-N 2.95Å; K210-A213 PolarHBondContact O-N 3.44Å; A213-A217 WeakPolarHBondContact O-CB 3.18Å; A213-A217 PolarHBondContact O-N 3.32Å
214R68.1Low68.7Low134 Ų134105.9 Ų105.951%0.50658%0.583SS.*Hα-helixtrans-67.6-41.5172.4-75.3164169178.8-8.4111.6K210 D211 A217 V218K210-R214 WeakPolarHBondContact O-CB 3.38Å; K210-R214 WeakPolarHBondContact O-CD 3.49Å; K210-R214 WeakPolarHBondContact O-CG 3.32Å; K210-R214 PolarHBondContact O-N 3.24Å; D211-R214 PolarHBondContact O-N 3.23Å; D211-R214 WeakPolarHBondContact OD1-CD 3.48Å; D211-R214 IonicContact OD1-CZ 3.97Å; D211-R214 IonicContact OD1-NH1 3.98Å; D211-R214 PolarHBondContact OD1-NH1 3.42Å; R214-A217 PolarHBondContact O-N 2.9Å; R214-V218 WeakPolarHBondContact O-CB 3.48Å; R214-V218 VanDerWaalsContact O-CG2 3.22Å; R214-V218 WeakPolarHBondContact O-CG2 3.47Å; R214-V218 PolarHBondContact O-N 2.94Å
215A63.5Low66.6Low61 Ų61108.2 Ų108.250%0.50460%0.595SS.*Hα-helixtrans-64.4-40.8175.800000111.7D211 G212 V218 A219D211-A215 VanDerWaalsContact O-CB 3.3Å; D211-A215 WeakPolarHBondContact O-CB 3.38Å; D211-A215 PolarHBondContact O-N 2.74Å; G212-A215 PolarHBondContact O-N 3.47Å; A215-V218 PolarHBondContact O-N 3.18Å; A215-A219 WeakPolarHBondContact O-CB 3.5Å; A215-A219 PolarHBondContact O-N 3.43Å
216A59.2Low64.3Low53 Ų53110.7 Ų110.744%0.43861%0.605SS.*Hα-helixtrans-62.7-46.3172.900000111.9G212 V218 A219 D220G212-A216 WeakPolarHBondContact O-CB 3.26Å; G212-A216 PolarHBondContact O-N 3.45Å; A216-V218 VanDerWaalsContact C-N 3.28Å; A216-V218 PolarHBondContact O-N 2.87Å; A216-A219 WeakPolarHBondContact O-CB 3.45Å; A216-A219 PolarHBondContact O-N 3.34Å; A216-A219 VanDerWaalsContact O-N 3.13Å; A216-D220 PolarHBondContact O-N 2.85Å
217A58.4Low62.2Low58 Ų58108.2 Ų108.248%0.47961%0.607SS.*Hα-helixtrans-65-28.5176.900000113.7A213 R214A213-A217 WeakPolarHBondContact O-CB 3.18Å; A213-A217 PolarHBondContact O-N 3.32Å; R214-A217 PolarHBondContact O-N 2.9Å
218V58.8Low60.1Low105 Ų105108.4 Ų108.464%0.63662%0.618SS**Hα-helixtrans-77.7-34.4173.3172.50000111.4R214 A215 A216 K221R214-V218 WeakPolarHBondContact O-CB 3.48Å; R214-V218 VanDerWaalsContact O-CG2 3.22Å; R214-V218 WeakPolarHBondContact O-CG2 3.47Å; R214-V218 PolarHBondContact O-N 2.94Å; A215-V218 PolarHBondContact O-N 3.18Å; A216-V218 VanDerWaalsContact C-N 3.28Å; A216-V218 PolarHBondContact O-N 2.87Å; V218-K221 PolarHBondContact O-N 2.93Å
219A56.6Low58.3Low60 Ų60110.2 Ų110.250%0.49663%0.632SS.*Hα-helixtrans-67.5-37.3173.900000112.4A215 A216 K221 K222 K223A215-A219 WeakPolarHBondContact O-CB 3.5Å; A215-A219 PolarHBondContact O-N 3.43Å; A216-A219 WeakPolarHBondContact O-CB 3.45Å; A216-A219 PolarHBondContact O-N 3.34Å; A216-A219 VanDerWaalsContact O-N 3.13Å; A219-K221 PolarHBondContact O-N 2.99Å; A219-K222 PolarHBondContact O-N 3.19Å; A219-K223 PolarHBondContact O-N 3.38Å
220D52.5Low57Low136 Ų136109.3 Ų109.373%0.72764%0.636SS**Hα-helixtrans-60.7-29.6175.1-102.9-65.9000113.2A216 K222A216-D220 PolarHBondContact O-N 2.85Å; D220-K222 VanDerWaalsContact C-N 3.26Å; D220-K222 PolarHBondContact O-N 3.31Å
221K56.4Low55.4Low193 Ų193112.8 Ų112.884%0.83965%0.654SS**THydrogen-bonded Turntrans-73.8-11.1173.8-80.2-175.3175178.60114.1V218 A219V218-K221 PolarHBondContact O-N 2.93Å; A219-K221 PolarHBondContact O-N 2.99Å
222K57.7Low53.9Low186 Ų186115.2 Ų115.281%0.80967%0.666SS**THydrogen-bonded Turntrans-122.3-1.5-171.8-153.4175.8177.2-179.60115.8A219 D220A219-K222 PolarHBondContact O-N 3.19Å; D220-K222 VanDerWaalsContact C-N 3.26Å; D220-K222 PolarHBondContact O-N 3.31Å
223K44Very low52.8Low151 Ų151117.4 Ų117.466%0.65767%0.668SS**  trans-154.194174.8-127.6-176.5179.6-170.20113.6A219A219-K223 PolarHBondContact O-N 3.38Å
224G49.5Very low52.2Low78 Ų78119.8 Ų119.880%0.80468%0.677SS**  trans-59.2132137.200000107.6
225L47.8Very low51.4Low141 Ų141120.7 Ų120.774%0.73868%0.684SS**  trans100.671.5-178.1-158.472.5000115.5
226M38.3Very low51.1Low169 Ų169121.8 Ų121.883%0.83368%0.682SS**SBend-172.2142.5125.3-85.9-101.894.500108.1
227G41.9Very low51Low61 Ų61122.5 Ų122.563%0.62968%0.681SS**  trans-71.5-177.3-163.300000117.1L229G227-L229 PolarHBondContact O-N 2.95Å
228P44.5Very low50.8Low119 Ų119125 Ų12577%0.77369%0.686SS**  trans-74.9115.7-165.629.9-31.8000111.3
229L44.2Very low50.9Low181 Ų181122.8 Ų122.895%0.94868%0.679SS**  trans-107.969.3156.9-77.7169.9000107.2G227G227-L229 PolarHBondContact O-N 2.95Å
230T53.2Low50.9Low118 Ų118125.5 Ų125.572%0.72468%0.684SS**  trans-114.1139169.1430000108.2
231E48.8Very low51.1Low192 Ų192123.3 Ų123.390%0.89767%0.672SS**  trans93.174.1179-54.3-171.4172.600114.8
232L46.3Very low51.1Low125 Ų125121.9 Ų121.965%0.65467%0.666SS**  trans-90.1119142.7-146.275.5000106.6D236L232-D236 HydrophobicContact CD2-CB 4.33Å; L232-D236 HydrophobicContact CG-CB 4.03Å
233D49.8Very low50.9Low86 Ų86119.7 Ų119.746%0.4666%0.656SS.*  trans-65.3142.6-177.7-170.84.9000109.5K235 D236 V237D233-K235 PolarHBondContact O-N 3.19Å; D233-D236 WeakPolarHBondContact O-CB 3.37Å; D233-D236 PolarHBondContact O-N 2.89Å; D233-V237 PolarHBondContact O-N 3.3Å
234T55.8Low51Low109 Ų109115.4 Ų115.467%0.66965%0.646SS**Hα-helixtrans-50.7-25.3177.534.10000114V237 D238T234-V237 PolarHBondContact O-N 3.01Å; T234-D238 PolarHBondContact O-N 3.08Å
235K51.8Low50.9Low152 Ų152118.6 Ų118.666%0.66164%0.639SS**Hα-helixtrans-73.4-29.1175.4-65178.1-179.7172.80114D233 V237 A239D233-K235 PolarHBondContact O-N 3.19Å; K235-V237 VanDerWaalsContact C-N 3.33Å; K235-A239 PolarHBondContact O-N 2.86Å; K235-A239 VanDerWaalsContact O-N 3.12Å
236D56.5Low51Low84 Ų84115.5 Ų115.545%0.44963%0.634SS.*Hα-helixtrans-74.5-29.9175.4-69.2-34.5000110.8L232 D233 A239 L240L232-D236 HydrophobicContact CD2-CB 4.33Å; L232-D236 HydrophobicContact CG-CB 4.03Å; D233-D236 WeakPolarHBondContact O-CB 3.37Å; D233-D236 PolarHBondContact O-N 2.89Å; D236-A239 PolarHBondContact O-N 3.23Å; D236-L240 WeakPolarHBondContact O-CB 3.45Å; D236-L240 PolarHBondContact O-N 3.33Å
237V57.2Low51.1Low68 Ų68113.4 Ų113.441%0.41262%0.622SS.*Hα-helixtrans-68.3-44173.7-174.30000111D233 T234 K235 A239 L240 L241D233-V237 PolarHBondContact O-N 3.3Å; T234-V237 PolarHBondContact O-N 3.01Å; K235-V237 VanDerWaalsContact C-N 3.33Å; V237-A239 VanDerWaalsContact C-N 3.33Å; V237-A239 PolarHBondContact O-N 3.08Å; V237-L240 PolarHBondContact O-N 2.99Å; V237-L241 HydrophobicContact CG1-CD1 4.17Å; V237-L241 WeakPolarHBondContact O-CB 3.29Å; V237-L241 WeakPolarHBondContact O-CG 3.49Å; V237-L241 PolarHBondContact O-N 3.37Å
238D55.4Low51.3Low112 Ų112118.6 Ų118.660%0.59963%0.63SS**Hα-helixtrans-62.9-37.8173.5-92.3-6.6000112.4T234 L241 K242T234-D238 PolarHBondContact O-N 3.08Å; D238-L241 PolarHBondContact O-N 3.24Å; D238-K242 WeakPolarHBondContact O-CB 3.22Å; D238-K242 PolarHBondContact O-N 3.48Å
239A60Low51.3Low58 Ų58119.1 Ų119.148%0.47962%0.622SS.*Hα-helixtrans-68.6-34.6174.500000112.1K235 D236 V237 K243K235-A239 PolarHBondContact O-N 2.86Å; K235-A239 VanDerWaalsContact O-N 3.12Å; D236-A239 PolarHBondContact O-N 3.23Å; V237-A239 VanDerWaalsContact C-N 3.33Å; V237-A239 PolarHBondContact O-N 3.08Å; A239-K243 WeakPolarHBondContact O-CB 3.39Å; A239-K243 PolarHBondContact O-N 3.07Å
240L57.3Low51.4Low116 Ų116117.1 Ų117.161%0.60761%0.608SS**Hα-helixtrans-70.7-39.1174.5-134.374.5000111.8D236 V237 K243 S244D236-L240 WeakPolarHBondContact O-CB 3.45Å; D236-L240 PolarHBondContact O-N 3.33Å; V237-L240 PolarHBondContact O-N 2.99Å; L240-K243 CarbonylContact O-C 3.59Å; L240-K243 PolarHBondContact O-N 2.74Å; L240-S244 WeakPolarHBondContact O-CB 3.49Å; L240-S244 PolarHBondContact O-N 2.89Å; L240-S244 PolarHBondContact O-OG 3.41Å
241L56.5Low51.1Low90 Ų90114.5 Ų114.547%0.47159%0.593SS.*Hα-helixtrans-61.2-45.4173.8-83.9158.5000111.6V237 D238 K243 S244 E245V237-L241 HydrophobicContact CG1-CD1 4.17Å; V237-L241 WeakPolarHBondContact O-CB 3.29Å; V237-L241 WeakPolarHBondContact O-CG 3.49Å; V237-L241 PolarHBondContact O-N 3.37Å; D238-L241 PolarHBondContact O-N 3.24Å; L241-K243 PolarHBondContact O-N 3.34Å; L241-S244 WeakPolarHBondContact CA-OG 3.46Å; L241-S244 PolarHBondContact O-N 3.24Å; L241-S244 PolarHBondContact O-OG 2.88Å; L241-E245 WeakPolarHBondContact O-CG 3.38Å; L241-E245 PolarHBondContact O-N 3.41Å
242K57.1Low51.2Low163 Ų163114.6 Ų114.671%0.70959%0.593SS**Hα-helixtrans-67.1-25.4177-143.6170.3-169.6169.90112.8D238D238-K242 WeakPolarHBondContact O-CB 3.22Å; D238-K242 PolarHBondContact O-N 3.48Å
243K53.3Low51.6Low141 Ų141115.2 Ų115.261%0.61360%0.597SS**Hα-helixtrans-84.4-32175.4-142.9175.9-174.7-175.80111.8A239 L240 L241 A246 Q247A239-K243 WeakPolarHBondContact O-CB 3.39Å; A239-K243 PolarHBondContact O-N 3.07Å; L240-K243 CarbonylContact O-C 3.59Å; L240-K243 PolarHBondContact O-N 2.74Å; L241-K243 PolarHBondContact O-N 3.34Å; K243-A246 PolarHBondContact O-N 2.85Å; K243-Q247 WeakPolarHBondContact O-CB 3.46Å; K243-Q247 WeakPolarHBondContact O-CG 3.43Å; K243-Q247 PolarHBondContact O-N 3.48Å
244S45.9Very low51.9Low61 Ų61114.9 Ų114.943%0.42761%0.614SS.*Hα-helixtrans-76.4-33.7175.3740000112L240 L241 A246 Q247 H248L240-S244 WeakPolarHBondContact O-CB 3.49Å; L240-S244 PolarHBondContact O-N 2.89Å; L240-S244 PolarHBondContact O-OG 3.41Å; L241-S244 WeakPolarHBondContact CA-OG 3.46Å; L241-S244 PolarHBondContact O-N 3.24Å; L241-S244 PolarHBondContact O-OG 2.88Å; S244-A246 VanDerWaalsContact C-N 3.28Å; S244-A246 PolarHBondContact O-N 3.07Å; S244-Q247 CarbonylContact O-C 3.52Å; S244-Q247 PolarHBondContact O-N 3.16Å; S244-H248 PolarHBondContact O-N 3.47Å
245E47.5Very low52.4Low144 Ų144111.4 Ų111.467%0.67359%0.594SS**Hα-helixtrans-61-38.4167.3-78.8178.7158.300111.4L241 Q247L241-E245 WeakPolarHBondContact O-CG 3.38Å; L241-E245 PolarHBondContact O-N 3.41Å; E245-Q247 VanDerWaalsContact C-N 3.28Å; E245-Q247 PolarHBondContact O-N 3.3Å
246A48.9Very low53.6Low76 Ų76106 Ų10663%0.62857%0.574SS**THydrogen-bonded Turntrans-75-15.1173.800000113.7K243 S244K243-A246 PolarHBondContact O-N 2.85Å; S244-A246 VanDerWaalsContact C-N 3.28Å; S244-A246 PolarHBondContact O-N 3.07Å
247Q42.3Very low54.7Low126 Ų126103.8 Ų103.859%0.58956%0.561SS**THydrogen-bonded Turntrans-107.6-4.4177.6-73.5-161-70.100114.2K243 S244 E245 E249 Q250K243-Q247 WeakPolarHBondContact O-CB 3.46Å; K243-Q247 WeakPolarHBondContact O-CG 3.43Å; K243-Q247 PolarHBondContact O-N 3.48Å; S244-Q247 CarbonylContact O-C 3.52Å; S244-Q247 PolarHBondContact O-N 3.16Å; E245-Q247 VanDerWaalsContact C-N 3.28Å; E245-Q247 PolarHBondContact O-N 3.3Å; Q247-E249 PolarHBondContact O-N 3.01Å; Q247-Q250 PolarHBondContact O-N 2.94Å
248H44.9Very low55.8Low170 Ų170101.8 Ų101.879%0.78755%0.554SS**THydrogen-bonded Turntrans-65-3.9173.9-16366.3000112.8S244S244-H248 PolarHBondContact O-N 3.47Å
249E44Very low57Low130 Ų13099.8 Ų99.861%0.60755%0.553SS**THydrogen-bonded Turntrans-94.812.4171.3-74.7-77128.700113.7Q247 K312Q247-E249 PolarHBondContact O-N 3.01Å; E249-K312 IonicContact OE2-NZ 3.5Å; E249-K312 PolarHBondContact OE2-NZ 3.29Å
250Q46.3Very low58.1Low139 Ų13998.9 Ų98.965%0.6554%0.54SS*.SBendtrans-112.6121171.6-83.8-83.1-34.400109.2Q247 E252Q247-Q250 PolarHBondContact O-N 2.94Å; Q250-E252 PolarHBondContact O-N 3.29Å; Q250-E252 VanDerWaalsContact O-N 3.13Å
251P48.3Very low59.5Low62 Ų6293.8 Ų93.840%0.40351%0.513SS..  trans-73.2109.5-17929.1-31.6000109.2D253 C255P251-D253 PolarHBondContact O-N 3Å; P251-C255 VanDerWaalsContact CB-O 3.3Å; P251-C255 WeakPolarHBondContact CB-O 3.33Å; P251-C255 WeakPolarHBondContact CG-O 3.47Å
252E50.2Low60.9Low194 Ų19492.4 Ų92.491%0.90751%0.505SS*.THydrogen-bonded Turntrans-65.63.1170.5-84.4-79.4122.400113.1Q250Q250-E252 PolarHBondContact O-N 3.29Å; Q250-E252 VanDerWaalsContact O-N 3.13Å
253D54.1Low62.1Low139 Ų13993.5 Ų93.574%0.74350%0.504SS*.THydrogen-bonded Turntrans-13345-170.5-121-14.5000113.4P251 C255P251-D253 PolarHBondContact O-N 3Å; D253-C255 WeakPolarHBondContact O-CB 3.25Å; D253-C255 PolarHBondContact O-N 2.63Å
254G57.1Low63.6Low79 Ų7990 Ų9081%0.81449%0.492SS*.SBendtrans57.3-0.2165.200000117.8
255C66.6Low65.3Low36 Ų3690.2 Ų90.224%0.24349%0.488CS..  trans-104.1121.9-171.2-172.80000108P251 D253 F257 Q262P251-C255 VanDerWaalsContact CB-O 3.3Å; P251-C255 WeakPolarHBondContact CB-O 3.33Å; P251-C255 WeakPolarHBondContact CG-O 3.47Å; D253-C255 WeakPolarHBondContact O-CB 3.25Å; D253-C255 PolarHBondContact O-N 2.63Å; C255-F257 PolarHBondContact O-N 3.5Å; C255-Q262 HydrophobicContact CB-CG 4.47Å
256P75.7Confident66.9Low39 Ų3988.1 Ų88.125%0.25348%0.478SS..SBendtrans-73.8-8.9-172.631.4-37000113.3T311P256-T311 HydrophobicContact CB-CG2 3.89Å; P256-T311 HydrophobicContact CG-CG2 4.44Å; P256-T311 WeakPolarHBondContact O-CB 3.32Å; P256-T311 WeakPolarHBondContact O-CG2 3.19Å; P256-T311 PolarHBondContact O-OG1 3.05Å
257F80.3Confident68.2Low36 Ų3686.5 Ų86.516%0.15847%0.465CS..SBendtrans-85.8153.6-178.5-57.3-63.8000111.5C255 T261 Q262 L265 V308 T311 L314C255-F257 PolarHBondContact O-N 3.5Å; F257-T261 HydrophobicContact CB-CG2 3.81Å; F257-T261 HydrophobicContact CD1-CG2 3.76Å; F257-T261 HydrophobicContact CG-CG2 3.84Å; F257-Q262 HydrophobicContact CB-CG 4.04Å; F257-Q262 PolarHBondContact O-NE2 3.37Å; F257-L265 HydrophobicContact CD2-CD1 3.51Å; F257-L265 HydrophobicContact CE2-CD1 3.75Å; F257-L265 HydrophobicContact CG-CD1 4.13Å; F257-V308 HydrophobicContact CE1-CB 4.35Å; F257-V308 HydrophobicContact CE1-CG2 4.26Å; F257-V308 HydrophobicContact CZ-CB 4.48Å; F257-V308 HydrophobicContact CZ-CG2 3.93Å; F257-T311 HydrophobicContact CD1-CG2 4.03Å; F257-T311 HydrophobicContact CE1-CG2 4.24Å; F257-L314 HydrophobicContact CD1-CD2 4.17Å; F257-L314 HydrophobicContact CE1-CD2 3.91Å
258G80.3Confident69.9Low27 Ų2783.8 Ų83.828%0.27845%0.454SS..  trans-82.1176172.200000112.6L260 T261 Q262 E315G258-L260 VanDerWaalsContact C-N 3.31Å; G258-L260 PolarHBondContact O-N 3.44Å; G258-T261 PolarHBondContact O-N 3.25Å; G258-Q262 WeakPolarHBondContact O-CB 3.49Å; G258-Q262 VanDerWaalsContact O-CG 3.28Å; G258-Q262 WeakPolarHBondContact O-CG 3.38Å; G258-Q262 PolarHBondContact O-N 3.47Å; G258-E315 WeakPolarHBondContact CA-OE1 3.32Å; G258-E315 WeakPolarHBondContact CA-OE2 3.5Å; G258-E315 PolarHBondContact N-OE2 2.96Å
259A80.5Confident71.1Confident69 Ų6979.7 Ų79.757%0.5744%0.441SS*.Hα-helixtrans-59.1-35-168.500000114.4R263 E315A259-R263 WeakPolarHBondContact O-CB 3.37Å; A259-R263 PolarHBondContact O-N 2.89Å; A259-E315 PolarHBondContact N-OE1 3.44Å
260L83.2Confident72Confident40 Ų4080 Ų8021%0.20944%0.442CS..Hα-helixtrans-68.4-51178.8174.262.5000109.9G258 Q262 R263 L264 E315 I318 K319 L322 L328G258-L260 VanDerWaalsContact C-N 3.31Å; G258-L260 PolarHBondContact O-N 3.44Å; L260-Q262 VanDerWaalsContact C-N 3.31Å; L260-Q262 PolarHBondContact O-N 3.49Å; L260-R263 PolarHBondContact O-N 3.23Å; L260-L264 HydrophobicContact CD1-CD1 4.31Å; L260-L264 HydrophobicContact CG-CD1 4.24Å; L260-L264 WeakPolarHBondContact O-CG 2.99Å; L260-L264 PolarHBondContact O-N 3.36Å; L260-E315 WeakPolarHBondContact CB-OE1 3.46Å; L260-E315 PolarHBondContact N-OE1 3.49Å; L260-I318 HydrophobicContact CD2-CG2 4.2Å; L260-K319 HydrophobicContact CD2-CB 3.9Å; L260-K319 HydrophobicContact CD2-CG 4.39Å; L260-L322 HydrophobicContact CD2-CD1 4.49Å; L260-L328 HydrophobicContact CD1-CD1 4.49Å; L260-L328 HydrophobicContact CD2-CD1 4.41Å
261T86.3Confident72.5Confident8 Ų880 Ų805%0.04944%0.442CS..Hα-helixtrans-63.7-39.2-179.4-52.10000111.1F257 G258 L264 L265 E315 I318F257-T261 HydrophobicContact CB-CG2 3.81Å; F257-T261 HydrophobicContact CD1-CG2 3.76Å; F257-T261 HydrophobicContact CG-CG2 3.84Å; G258-T261 PolarHBondContact O-N 3.25Å; T261-L264 PolarHBondContact O-N 2.96Å; T261-L265 HydrophobicContact CG2-CD1 4.14Å; T261-L265 WeakPolarHBondContact O-CB 3.04Å; T261-L265 VanDerWaalsContact O-CG 3.28Å; T261-L265 WeakPolarHBondContact O-CG 3.37Å; T261-L265 PolarHBondContact O-N 3.26Å; T261-E315 WeakPolarHBondContact CB-OE2 3.45Å; T261-E315 PolarHBondContact N-OE1 2.88Å; T261-E315 PolarHBondContact OG1-OE2 2.99Å; T261-I318 HydrophobicContact CG2-CD1 4.02Å
262Q85.2Confident72.8Confident62 Ų6282.5 Ų82.529%0.2945%0.453SS..Hα-helixtrans-61.9-45.4174.7-72.9-176.920.900112.3C255 F257 G258 L260 L264 L265 Q266C255-Q262 HydrophobicContact CB-CG 4.47Å; F257-Q262 HydrophobicContact CB-CG 4.04Å; F257-Q262 PolarHBondContact O-NE2 3.37Å; G258-Q262 WeakPolarHBondContact O-CB 3.49Å; G258-Q262 VanDerWaalsContact O-CG 3.28Å; G258-Q262 WeakPolarHBondContact O-CG 3.38Å; G258-Q262 PolarHBondContact O-N 3.47Å; L260-Q262 VanDerWaalsContact C-N 3.31Å; L260-Q262 PolarHBondContact O-N 3.49Å; Q262-L264 VanDerWaalsContact C-N 3.33Å; Q262-L264 PolarHBondContact O-N 3.26Å; Q262-L265 PolarHBondContact O-N 3.08Å; Q262-Q266 WeakPolarHBondContact O-CB 3.45Å; Q262-Q266 PolarHBondContact O-N 3.04Å
263R83.5Confident73.3Confident185 Ų18578.5 Ų78.570%0.69844%0.436SS*.Hα-helixtrans-62.5-40.6178-173.9178.1-67.3148.30.5112A259 L260 Q266 A267A259-R263 WeakPolarHBondContact O-CB 3.37Å; A259-R263 PolarHBondContact O-N 2.89Å; L260-R263 PolarHBondContact O-N 3.23Å; R263-Q266 PolarHBondContact O-N 2.92Å; R263-A267 PolarHBondContact O-N 2.7Å
264L84.8Confident73.4Confident68 Ų6875.6 Ų75.636%0.35642%0.42SS..Hα-helixtrans-64.4-45.6176-69.2169.7000111.7L260 T261 Q262 Q266 A267 L268 I318 L322L260-L264 HydrophobicContact CD1-CD1 4.31Å; L260-L264 HydrophobicContact CG-CD1 4.24Å; L260-L264 WeakPolarHBondContact O-CG 2.99Å; L260-L264 PolarHBondContact O-N 3.36Å; T261-L264 PolarHBondContact O-N 2.96Å; Q262-L264 VanDerWaalsContact C-N 3.33Å; Q262-L264 PolarHBondContact O-N 3.26Å; L264-Q266 VanDerWaalsContact C-N 3.32Å; L264-Q266 PolarHBondContact O-N 2.8Å; L264-A267 PolarHBondContact O-N 3.05Å; L264-L268 VanDerWaalsContact O-CG 3.29Å; L264-L268 WeakPolarHBondContact O-CG 3.48Å; L264-L268 PolarHBondContact O-N 3.19Å; L264-L268 VanDerWaalsContact O-N 3.12Å; L264-I318 HydrophobicContact CD1-CG2 3.66Å; L264-L322 HydrophobicContact CD1-CD1 4.11Å
265L81.7Confident72.9Confident65 Ų6576.1 Ų76.134%0.3441%0.411SS..Hα-helixtrans-61.2-42.4176.1-73.3168.7000111.6F257 T261 Q262 L268 V269F257-L265 HydrophobicContact CD2-CD1 3.51Å; F257-L265 HydrophobicContact CE2-CD1 3.75Å; F257-L265 HydrophobicContact CG-CD1 4.13Å; T261-L265 HydrophobicContact CG2-CD1 4.14Å; T261-L265 WeakPolarHBondContact O-CB 3.04Å; T261-L265 VanDerWaalsContact O-CG 3.28Å; T261-L265 WeakPolarHBondContact O-CG 3.37Å; T261-L265 PolarHBondContact O-N 3.26Å; Q262-L265 PolarHBondContact O-N 3.08Å; L265-L268 PolarHBondContact O-N 2.9Å; L265-V269 WeakPolarHBondContact O-CG2 3.21Å; L265-V269 PolarHBondContact O-N 3.24Å
266Q80.3Confident72Confident100 Ų10079 Ų7947%0.46743%0.429SS..Hα-helixtrans-62.4-45.7178.2-174.363.322.700111.8Q262 R263 L264 L268 V269 E270Q262-Q266 WeakPolarHBondContact O-CB 3.45Å; Q262-Q266 PolarHBondContact O-N 3.04Å; R263-Q266 PolarHBondContact O-N 2.92Å; L264-Q266 VanDerWaalsContact C-N 3.32Å; L264-Q266 PolarHBondContact O-N 2.8Å; Q266-L268 VanDerWaalsContact C-N 3.29Å; Q266-L268 PolarHBondContact O-N 2.8Å; Q266-V269 PolarHBondContact O-N 3.48Å; Q266-E270 HydrophobicContact CG-CG 4.47Å; Q266-E270 WeakPolarHBondContact CG-OE1 3.4Å; Q266-E270 PolarHBondContact NE2-OE1 3.22Å; Q266-E270 WeakPolarHBondContact O-CG 3.49Å; Q266-E270 PolarHBondContact O-N 2.94Å
267A77.4Confident70.7Confident43 Ų4385.4 Ų85.436%0.35546%0.458SS..Hα-helixtrans-59.3-40.2176.500000112.1R263 L264 V269 E270 E271R263-A267 PolarHBondContact O-N 2.7Å; L264-A267 PolarHBondContact O-N 3.05Å; A267-V269 PolarHBondContact O-N 3.26Å; A267-E270 PolarHBondContact O-N 3.43Å; A267-E271 WeakPolarHBondContact O-CB 3.42Å; A267-E271 WeakPolarHBondContact O-CG 3.44Å; A267-E271 PolarHBondContact O-N 3.24Å
268L77.1Confident68.9Low68 Ų6891.9 Ų91.936%0.35649%0.489SS..Hα-helixtrans-68-32.9177.7-68.5170.4000113.3L264 L265 Q266 I273 I274L264-L268 VanDerWaalsContact O-CG 3.29Å; L264-L268 WeakPolarHBondContact O-CG 3.48Å; L264-L268 PolarHBondContact O-N 3.19Å; L264-L268 VanDerWaalsContact O-N 3.12Å; L265-L268 PolarHBondContact O-N 2.9Å; Q266-L268 VanDerWaalsContact C-N 3.29Å; Q266-L268 PolarHBondContact O-N 2.8Å; L268-I273 HydrophobicContact CD2-CD1 4.16Å; L268-I273 PolarHBondContact O-N 3.22Å; L268-I274 HydrophobicContact CB-CD1 4.06Å
269V70.1Confident67.2Low85 Ų8598.2 Ų98.252%0.51552%0.516SS..Hα-helixtrans-73.4-43.1175.4171.70000110.7L265 Q266 A267 E271 N272L265-V269 WeakPolarHBondContact O-CG2 3.21Å; L265-V269 PolarHBondContact O-N 3.24Å; Q266-V269 PolarHBondContact O-N 3.48Å; A267-V269 PolarHBondContact O-N 3.26Å; V269-E271 VanDerWaalsContact C-N 3.32Å; V269-E271 PolarHBondContact O-N 3.18Å; V269-N272 PolarHBondContact O-N 2.75Å
270E62.8Low65Low136 Ų13699 Ų9964%0.63652%0.517SS*.Hα-helixtrans-65-34.7177.9-73177.1-17100112.4Q266 A267 N272Q266-E270 HydrophobicContact CG-CG 4.47Å; Q266-E270 WeakPolarHBondContact CG-OE1 3.4Å; Q266-E270 PolarHBondContact NE2-OE1 3.22Å; Q266-E270 WeakPolarHBondContact O-CG 3.49Å; Q266-E270 PolarHBondContact O-N 2.94Å; A267-E270 PolarHBondContact O-N 3.43Å; E270-N272 VanDerWaalsContact C-N 3.26Å; E270-N272 PolarHBondContact O-N 2.81Å
271E58.1Low63.1Low138 Ų138102.9 Ų102.965%0.64555%0.545SS*.THydrogen-bonded Turntrans-81.17.9177.4-69.6-170.3163.600114.4A267 V269 I273A267-E271 WeakPolarHBondContact O-CB 3.42Å; A267-E271 WeakPolarHBondContact O-CG 3.44Å; A267-E271 PolarHBondContact O-N 3.24Å; V269-E271 VanDerWaalsContact C-N 3.32Å; V269-E271 PolarHBondContact O-N 3.18Å; E271-I273 HydrophobicContact CB-CD1 3.88Å; E271-I273 HydrophobicContact CB-CG1 3.84Å; E271-I273 PolarHBondContact O-N 3.08Å; E271-I273 WeakPolarHBondContact OE2-CD1 3.28Å
272N54.7Low61Low116 Ų116110 Ų11062%0.6258%0.581SS**THydrogen-bonded Turntrans54.719.3-177.6-91-65.9000114.6V269 E270 I274V269-N272 PolarHBondContact O-N 2.75Å; E270-N272 VanDerWaalsContact C-N 3.26Å; E270-N272 PolarHBondContact O-N 2.81Å; N272-I274 VanDerWaalsContact C-N 3.26Å; N272-I274 PolarHBondContact O-N 3.36Å
273I60.4Low58.8Low109 Ų109112 Ų11256%0.55960%0.6SS**  trans-72-28.2-178.4-60.3179.6000110.4L268 E271L268-I273 HydrophobicContact CD2-CD1 4.16Å; L268-I273 PolarHBondContact O-N 3.22Å; E271-I273 HydrophobicContact CB-CD1 3.88Å; E271-I273 HydrophobicContact CB-CG1 3.84Å; E271-I273 PolarHBondContact O-N 3.08Å; E271-I273 WeakPolarHBondContact OE2-CD1 3.28Å
274I54.9Low56.8Low78 Ų78111.1 Ų111.140%0.461%0.609SS.*SBendtrans-101.599.7168-52.1168.7000105.9L268 N272L268-I274 HydrophobicContact CB-CD1 4.06Å; N272-I274 VanDerWaalsContact C-N 3.26Å; N272-I274 PolarHBondContact O-N 3.36Å
275S47.5Very low54.5Low90 Ų90116.1 Ų116.163%0.62963%0.632SS**  trans-53.6131.9170.1-61.90000108.4M277S275-M277 PolarHBondContact O-N 3.07Å; S275-M277 VanDerWaalsContact O-N 3.12Å
276P47.6Very low52.6Low97 Ų97119 Ų11963%0.6366%0.658SS**  trans-54.9126.9169.8-13.926.2000105.9E278P276-E278 VanDerWaalsContact C-N 3.32Å; P276-E278 PolarHBondContact O-N 2.94Å
277M47.8Very low50.4Low173 Ų173118 Ų11885%0.85268%0.675SS**  trans-55.5104.1173.9-64.892.8175.700107.2S275 D279S275-M277 PolarHBondContact O-N 3.07Å; S275-M277 VanDerWaalsContact O-N 3.12Å; M277-D279 PolarHBondContact O-N 2.74Å; M277-D279 VanDerWaalsContact O-N 3.15Å
278E42.7Very low48.6Very low173 Ų173124 Ų12481%0.80869%0.693SS**  trans-60.5121.4174.5-77.1-168.7139.500107P276 S280P276-E278 VanDerWaalsContact C-N 3.32Å; P276-E278 PolarHBondContact O-N 2.94Å; E278-S280 PolarHBondContact O-N 3.41Å
279D45.5Very low46.7Very low160 Ų160127.5 Ų127.586%0.85671%0.707SS**  trans-6676.4173.6-1454000107.8M277 P281M277-D279 PolarHBondContact O-N 2.74Å; M277-D279 VanDerWaalsContact O-N 3.15Å; D279-P281 WeakPolarHBondContact O-CD 3.47Å
280S33.9Very low45.1Very low84 Ų84129.1 Ų129.159%0.58772%0.723SS**PPolyproline II helixtrans-82.5120.3175.3-86.30000109E278 I282E278-S280 PolarHBondContact O-N 3.41Å; S280-I282 PolarHBondContact O-N 3.29Å
281P42.6Very low43.6Very low123 Ų123126.4 Ų126.480%0.79973%0.731SS**PPolyproline II helixtrans-65.6119.7174.825.2-30000109.3D279D279-P281 WeakPolarHBondContact O-CD 3.47Å
282I42.3Very low42.7Very low158 Ų158124.3 Ų124.381%0.8174%0.737SS**PPolyproline II helixtrans-59.3127.9176.7-57.3169.4000108.7S280 D284S280-I282 PolarHBondContact O-N 3.29Å; I282-D284 PolarHBondContact O-N 3.22Å
283P39.3Very low42.1Very low104 Ų104127 Ų12768%0.67575%0.751SS**PPolyproline II helixtrans-74.1127.6169.728.9-28.7000109.5M285P283-M285 PolarHBondContact O-N 3.15Å; P283-M285 VanDerWaalsContact O-N 3.12Å
284D41.4Very low40.9Very low166 Ų166124.7 Ų124.789%0.88875%0.754SS**  trans-53.1113.1170.8-87.6-49.9000110.6I282I282-D284 PolarHBondContact O-N 3.22Å
285M37Very low40.3Very low172 Ų172126 Ų12685%0.84778%0.777SS**  trans-12598.5165.6-72.6-66.4-108.500109.2P283 G287P283-M285 PolarHBondContact O-N 3.15Å; P283-M285 VanDerWaalsContact O-N 3.12Å; M285-G287 PolarHBondContact O-N 3.01Å
286S41.4Very low39.8Very low125 Ų125127 Ų12787%0.87478%0.784SS**  trans-53.4119.9161.751.70000110.6
287G34.3Very low39.6Very low80 Ų80129.2 Ų129.283%0.82580%0.796SS**  trans-167.5116.4175.700000111.2M285M285-G287 PolarHBondContact O-N 3.01Å
288K40.2Very low39.1Very low170 Ų170125.8 Ų125.874%0.73979%0.789SS**  trans-87149-170.7-164179.5163.2-139.40110.7
289E36.7Very low39.1Very low140 Ų140123.4 Ų123.465%0.65479%0.789SS**  trans65.6118.8149.674.3-151.2124.600122.9
290S35.1Very low39.1Very low120 Ų120126.8 Ų126.884%0.83979%0.79SS**  116.9119.4127.2-60.10000117.8
291G32.3Very low39.4Very low78 Ų78129.2 Ų129.280%0.80480%0.796SS**  trans114.597.714200000118.1
292A38.5Very low39.8Very low94 Ų94131.9 Ų131.978%0.77780%0.798SS**  trans49.2127.7140.800000122.5
293D43.6Very low40Very low172 Ų172132.2 Ų132.292%0.9280%0.801SS**  trans60.788.7148.3-62.2-26.8000119.7
294G34.4Very low40.4Very low61 Ų61135.8 Ų135.863%0.62981%0.806SS**  trans-161.5116.8152.500000108.9S296G294-S296 VanDerWaalsContact C-N 3.26Å; G294-S296 PolarHBondContact O-N 3.14Å
295A43Very low40.9Very low107 Ų107133.5 Ų133.588%0.88480%0.8SS**  trans-6187.2178.400000110.6T297A295-T297 PolarHBondContact O-N 3.47Å
296S35.4Very low41.8Very low111 Ų111133.3 Ų133.378%0.77680%0.795SS**  trans-80.296.2170-73.50000108.7G294 S298G294-S296 VanDerWaalsContact C-N 3.26Å; G294-S296 PolarHBondContact O-N 3.14Å; S296-S298 PolarHBondContact O-N 3.41Å
297T45.1Very low42.5Very low143 Ų143132.1 Ų132.188%0.87779%0.787SS**  trans-83.475.1156.658.20000107.9A295A295-T297 PolarHBondContact O-N 3.47Å
298S35.4Very low44.1Very low101 Ų101130.3 Ų130.371%0.70676%0.76SS**  trans-92.9128.4166.2-173.60000108.5S296 R300S296-S298 PolarHBondContact O-N 3.41Å; S298-R300 PolarHBondContact O-N 3.09Å; S298-R300 VanDerWaalsContact O-N 3.16Å
299P43.6Very low45.5Very low123 Ų123126.7 Ų126.780%0.79975%0.754SS**  trans-82.9100.8-168.332.7-31.2000110
300R46.5Very low47.3Very low231 Ų231127.3 Ų127.387%0.87276%0.756SS**  trans-88.2120.2164.3-168169.9-178.4171.81.6108.6S298S298-R300 PolarHBondContact O-N 3.09Å; S298-R300 VanDerWaalsContact O-N 3.16Å
301N39Very low49.4Very low134 Ų134122.9 Ų122.972%0.71772%0.724SS**  trans105.485.8174.8-630.2000115.2N303N301-N303 PolarHBondContact O-N 2.98Å
302Q51.4Low51.6Low179 Ų179125.5 Ų125.584%0.83671%0.713SS**THydrogen-bonded Turntrans-62.5124.5152.5-67.5176.5-4.100108.3
303N47.1Very low53.7Low166 Ų166124.7 Ų124.789%0.88870%0.702SS**THydrogen-bonded Turntrans139.28.2171.2-76.219000113.5N301N301-N303 PolarHBondContact O-N 2.98Å
304K46.9Very low55.7Low179 Ų179119.8 Ų119.878%0.77868%0.675SS**SBendtrans-110130.2162.6-70.4-177.9179.9-178.40109.3F306K304-F306 PolarHBondContact O-N 3.29Å
305P51.6Low58.2Low118 Ų118118.7 Ų118.777%0.76665%0.654SS**  trans-57.7131.1174.323.8-31.2000108.6S307P305-S307 PolarHBondContact O-N 3.15Å
306F55.9Low60.2Low167 Ų167116.3 Ų116.373%0.73263%0.631SS**  trans-6297.8176.5-173-100.3000108.2K304 V308K304-F306 PolarHBondContact O-N 3.29Å; F306-V308 HydrophobicContact CD1-CG2 3.7Å; F306-V308 HydrophobicContact CE1-CG2 3.28Å; F306-V308 HydrophobicContact CZ-CG2 4.15Å
307S57.3Low62.7Low100 Ų100119.5 Ų119.570%0.69963%0.626SS**  trans-99.9105.8-179.8-174.50000108.6P305P305-S307 PolarHBondContact O-N 3.15Å
308V67.2Low64.8Low43 Ų43114.7 Ų114.726%0.26159%0.594SS.*  trans-81.9122.6171.2-176.40000107.7F257 F306 T311F257-V308 HydrophobicContact CE1-CB 4.35Å; F257-V308 HydrophobicContact CE1-CG2 4.26Å; F257-V308 HydrophobicContact CZ-CB 4.48Å; F257-V308 HydrophobicContact CZ-CG2 3.93Å; F306-V308 HydrophobicContact CD1-CG2 3.7Å; F306-V308 HydrophobicContact CE1-CG2 3.28Å; F306-V308 HydrophobicContact CZ-CG2 4.15Å; V308-T311 HydrophobicContact CB-CG2 4.15Å; V308-T311 WeakPolarHBondContact O-CG2 3.29Å
309P68.6Low67.2Low94 Ų94113.6 Ų113.661%0.6158%0.577SS**THydrogen-bonded Turntrans-67.6149.9174.526.8-31.7000110.8
310H75.2Confident69.4Low153 Ų153113.5 Ų113.571%0.70857%0.566SS**THydrogen-bonded Turntrans66.132174.9-47.6-51.9000116.5K312 S313 L314H310-K312 VanDerWaalsContact C-N 3.25Å; H310-K312 PolarHBondContact O-N 3.27Å; H310-S313 WeakPolarHBondContact O-CB 3.39Å; H310-S313 PolarHBondContact O-N 3.12Å; H310-L314 PolarHBondContact O-N 3.39Å
311T80.1Confident71.5Confident27 Ų27107.5 Ų107.517%0.16655%0.547CS..Hα-helixtrans-55.8-35.4178.857.90000114.3P256 F257 V308 S313 L314 E315P256-T311 HydrophobicContact CB-CG2 3.89Å; P256-T311 HydrophobicContact CG-CG2 4.44Å; P256-T311 WeakPolarHBondContact O-CB 3.32Å; P256-T311 WeakPolarHBondContact O-CG2 3.19Å; P256-T311 PolarHBondContact O-OG1 3.05Å; F257-T311 HydrophobicContact CD1-CG2 4.03Å; F257-T311 HydrophobicContact CE1-CG2 4.24Å; V308-T311 HydrophobicContact CB-CG2 4.15Å; V308-T311 WeakPolarHBondContact O-CG2 3.29Å; T311-S313 PolarHBondContact O-N 3.36Å; T311-L314 WeakPolarHBondContact O-CB 3.14Å; T311-L314 PolarHBondContact O-N 3.02Å; T311-E315 PolarHBondContact O-N 3.05Å
312K77Confident73.9Confident133 Ų133102.7 Ų102.758%0.57852%0.521SS*.Hα-helixtrans-63.7-37.4173.3-60.8-164.2177.1-137.20113.4E249 H310 E315 S316E249-K312 IonicContact OE2-NZ 3.5Å; E249-K312 PolarHBondContact OE2-NZ 3.29Å; H310-K312 VanDerWaalsContact C-N 3.25Å; H310-K312 PolarHBondContact O-N 3.27Å; K312-E315 WeakPolarHBondContact O-CB 3.4Å; K312-S316 PolarHBondContact O-N 3.41Å; K312-S316 VanDerWaalsContact O-N 3.16Å
313S84Confident75.6Confident76 Ų7696.7 Ų96.753%0.53150%0.495SS..Hα-helixtrans-72.8-34.6176.9-175.70000111.5H310 T311 R317H310-S313 WeakPolarHBondContact O-CB 3.39Å; H310-S313 PolarHBondContact O-N 3.12Å; T311-S313 PolarHBondContact O-N 3.36Å; S313-R317 WeakPolarHBondContact O-CB 3.37Å; S313-R317 PolarHBondContact O-N 3.31Å
314L85.2Confident77.6Confident69 Ų6992.7 Ų92.736%0.36148%0.484SS..Hα-helixtrans-63.4-46.3172.717965.8000110.6F257 H310 T311 S316 R317 I318F257-L314 HydrophobicContact CD1-CD2 4.17Å; F257-L314 HydrophobicContact CE1-CD2 3.91Å; H310-L314 PolarHBondContact O-N 3.39Å; T311-L314 WeakPolarHBondContact O-CB 3.14Å; T311-L314 PolarHBondContact O-N 3.02Å; L314-S316 VanDerWaalsContact C-N 3.35Å; L314-S316 PolarHBondContact O-N 3.47Å; L314-R317 PolarHBondContact O-N 3.43Å; L314-I318 HydrophobicContact CD1-CD1 3.97Å; L314-I318 HydrophobicContact CD1-CG1 4.21Å; L314-I318 HydrophobicContact CD2-CD1 4.46Å; L314-I318 HydrophobicContact CG-CD1 3.78Å; L314-I318 HydrophobicContact CG-CG1 4.41Å; L314-I318 WeakPolarHBondContact O-CB 3.28Å; L314-I318 VanDerWaalsContact O-CG1 3.29Å; L314-I318 WeakPolarHBondContact O-CG1 3.46Å; L314-I318 PolarHBondContact O-N 2.88Å
315E86.7Confident79.6Confident38 Ų3890 Ų9018%0.17848%0.475CS..Hα-helixtrans-52.8-50.5175-161.292.4-176.300111.6G258 A259 L260 T261 T311 K312 R317 I318 K319G258-E315 WeakPolarHBondContact CA-OE1 3.32Å; G258-E315 WeakPolarHBondContact CA-OE2 3.5Å; G258-E315 PolarHBondContact N-OE2 2.96Å; A259-E315 PolarHBondContact N-OE1 3.44Å; L260-E315 WeakPolarHBondContact CB-OE1 3.46Å; L260-E315 PolarHBondContact N-OE1 3.49Å; T261-E315 WeakPolarHBondContact CB-OE2 3.45Å; T261-E315 PolarHBondContact N-OE1 2.88Å; T261-E315 PolarHBondContact OG1-OE2 2.99Å; T311-E315 PolarHBondContact O-N 3.05Å; K312-E315 WeakPolarHBondContact O-CB 3.4Å; E315-R317 PolarHBondContact O-N 3.44Å; E315-I318 PolarHBondContact O-N 2.75Å; E315-K319 WeakPolarHBondContact O-CB 3.26Å; E315-K319 PolarHBondContact O-N 2.74Å
316S84.6Confident81Confident58 Ų5887.4 Ų87.441%0.40647%0.47SS..Hα-helixtrans-61.6-45.1179.4-163.80000111.8K312 L314 K319 E320K312-S316 PolarHBondContact O-N 3.41Å; K312-S316 VanDerWaalsContact O-N 3.16Å; L314-S316 VanDerWaalsContact C-N 3.35Å; L314-S316 PolarHBondContact O-N 3.47Å; S316-K319 WeakPolarHBondContact O-CB 3.23Å; S316-K319 PolarHBondContact O-N 3.2Å; S316-E320 WeakPolarHBondContact O-CG 3.32Å; S316-E320 PolarHBondContact O-N 2.94Å; S316-E320 PolarHBondContact OG-OE1 2.97Å
317R88.8Confident82.4Confident178 Ų17885 Ų8567%0.67246%0.464SS*.Hα-helixtrans-67.7-39.4-179.2-177.3175.7-84.7177.5-7.1112.1S313 L314 E315 K319 E320 E321S313-R317 WeakPolarHBondContact O-CB 3.37Å; S313-R317 PolarHBondContact O-N 3.31Å; L314-R317 PolarHBondContact O-N 3.43Å; E315-R317 PolarHBondContact O-N 3.44Å; R317-K319 VanDerWaalsContact C-N 3.32Å; R317-E320 PolarHBondContact O-N 3.05Å; R317-E321 VanDerWaalsContact O-CB 3.32Å; R317-E321 WeakPolarHBondContact O-CB 3.48Å; R317-E321 PolarHBondContact O-N 2.76Å
318I88.2Confident83.5Confident42 Ų4283.3 Ų83.322%0.21545%0.447CS..Hα-helixtrans-60.9-45.8174.2-71169.6000109.6L260 T261 L264 L314 E315 E321 L322L260-I318 HydrophobicContact CD2-CG2 4.2Å; T261-I318 HydrophobicContact CG2-CD1 4.02Å; L264-I318 HydrophobicContact CD1-CG2 3.66Å; L314-I318 HydrophobicContact CD1-CD1 3.97Å; L314-I318 HydrophobicContact CD1-CG1 4.21Å; L314-I318 HydrophobicContact CD2-CD1 4.46Å; L314-I318 HydrophobicContact CG-CD1 3.78Å; L314-I318 HydrophobicContact CG-CG1 4.41Å; L314-I318 WeakPolarHBondContact O-CB 3.28Å; L314-I318 VanDerWaalsContact O-CG1 3.29Å; L314-I318 WeakPolarHBondContact O-CG1 3.46Å; L314-I318 PolarHBondContact O-N 2.88Å; E315-I318 PolarHBondContact O-N 2.75Å; I318-E321 PolarHBondContact O-N 2.93Å; I318-L322 HydrophobicContact CG2-CD1 3.8Å; I318-L322 HydrophobicContact CG2-CG 4.31Å; I318-L322 WeakPolarHBondContact O-CB 3.45Å; I318-L322 VanDerWaalsContact O-CG 3.22Å; I318-L322 WeakPolarHBondContact O-CG 3.49Å; I318-L322 PolarHBondContact O-N 3.44Å
319K86.9Confident84.1Confident78 Ų7889.4 Ų89.434%0.33947%0.472SS..Hα-helixtrans-60.4-48.9177.4-173.4179.8179-179.20112L260 E315 S316 R317 E321 L322 I323 E331L260-K319 HydrophobicContact CD2-CB 3.9Å; L260-K319 HydrophobicContact CD2-CG 4.39Å; E315-K319 WeakPolarHBondContact O-CB 3.26Å; E315-K319 PolarHBondContact O-N 2.74Å; S316-K319 WeakPolarHBondContact O-CB 3.23Å; S316-K319 PolarHBondContact O-N 3.2Å; R317-K319 VanDerWaalsContact C-N 3.32Å; K319-E321 PolarHBondContact O-N 2.81Å; K319-L322 PolarHBondContact O-N 3.06Å; K319-I323 HydrophobicContact CG-CD1 4.04Å; K319-I323 VanDerWaalsContact O-CG1 3.26Å; K319-I323 WeakPolarHBondContact O-CG1 3.39Å; K319-I323 PolarHBondContact O-N 3.45Å; K319-E331 IonicContact NZ-OE2 3.65Å; K319-E331 PolarHBondContact NZ-OE2 3.12Å
320E89.4Confident84.3Confident121 Ų12187.4 Ų87.457%0.56546%0.461SS*.Hα-helixtrans-59.1-44.9177.6-76.1166.8-150.700112.2S316 R317 I323 A324S316-E320 WeakPolarHBondContact O-CG 3.32Å; S316-E320 PolarHBondContact O-N 2.94Å; S316-E320 PolarHBondContact OG-OE1 2.97Å; R317-E320 PolarHBondContact O-N 3.05Å; E320-I323 PolarHBondContact O-N 2.86Å; E320-A324 WeakPolarHBondContact O-CB 3.37Å; E320-A324 PolarHBondContact O-N 3.31Å
321E89.9Confident83.6Confident104 Ų10487.6 Ų87.649%0.48646%0.462SS..Hα-helixtrans-66.1-42.7179.3-171.866.5-153.200111.6R317 I318 K319 I323 A324 Q325R317-E321 VanDerWaalsContact O-CB 3.32Å; R317-E321 WeakPolarHBondContact O-CB 3.48Å; R317-E321 PolarHBondContact O-N 2.76Å; I318-E321 PolarHBondContact O-N 2.93Å; K319-E321 PolarHBondContact O-N 2.81Å; E321-I323 VanDerWaalsContact C-N 3.31Å; E321-I323 PolarHBondContact O-N 2.99Å; E321-A324 PolarHBondContact O-N 2.81Å; E321-Q325 WeakPolarHBondContact O-CG 3.33Å; E321-Q325 PolarHBondContact O-N 3.28Å; E321-Q325 PolarHBondContact OE1-NE2 3.18Å
322L90.2Very high82.4Confident33 Ų3393.7 Ų93.717%0.17349%0.493CS..Hα-helixtrans-64.6-35.5176.4-71.3175.4000112L260 L264 I318 K319 G326 L327 L328L260-L322 HydrophobicContact CD2-CD1 4.49Å; L264-L322 HydrophobicContact CD1-CD1 4.11Å; I318-L322 HydrophobicContact CG2-CD1 3.8Å; I318-L322 HydrophobicContact CG2-CG 4.31Å; I318-L322 WeakPolarHBondContact O-CB 3.45Å; I318-L322 VanDerWaalsContact O-CG 3.22Å; I318-L322 WeakPolarHBondContact O-CG 3.49Å; I318-L322 PolarHBondContact O-N 3.44Å; K319-L322 PolarHBondContact O-N 3.06Å; L322-G326 PolarHBondContact O-N 3.46Å; L322-L327 HydrophobicContact CB-CB 4.48Å; L322-L327 HydrophobicContact CD2-CB 4.23Å; L322-L327 HydrophobicContact CD2-CD1 3.69Å; L322-L327 WeakPolarHBondContact O-CA 3.46Å; L322-L327 WeakPolarHBondContact O-CB 3.24Å; L322-L327 PolarHBondContact O-N 3.06Å; L322-L328 HydrophobicContact CB-CB 4.32Å; L322-L328 HydrophobicContact CB-CD1 3.68Å; L322-L328 HydrophobicContact CB-CG 3.89Å; L322-L328 HydrophobicContact CD1-CD1 3.77Å; L322-L328 HydrophobicContact CD1-CG 4.39Å; L322-L328 HydrophobicContact CG-CD1 4.4Å; L322-L328 PolarHBondContact O-N 3.42Å
323I86.7Confident81.1Confident54 Ų5496.5 Ų96.528%0.27750%0.5SS..Hα-helixtrans-66.7-45171.4-67.2165.5000110.4K319 E320 E321 Q325 G326 L328K319-I323 HydrophobicContact CG-CD1 4.04Å; K319-I323 VanDerWaalsContact O-CG1 3.26Å; K319-I323 WeakPolarHBondContact O-CG1 3.39Å; K319-I323 PolarHBondContact O-N 3.45Å; E320-I323 PolarHBondContact O-N 2.86Å; E321-I323 VanDerWaalsContact C-N 3.31Å; E321-I323 PolarHBondContact O-N 2.99Å; I323-Q325 VanDerWaalsContact C-N 3.26Å; I323-Q325 PolarHBondContact O-N 3.2Å; I323-G326 WeakPolarHBondContact O-CA 3.48Å; I323-G326 PolarHBondContact O-N 3.22Å; I323-L328 WeakPolarHBondContact CA-O 3.43Å; I323-L328 HydrophobicContact CG1-CB 3.77Å
324A88.4Confident79.4Confident81 Ų8197.9 Ų97.967%0.66951%0.507SS*.Hα-helixtrans-62-33.6179.500000112.7E320 E321 G326E320-A324 WeakPolarHBondContact O-CB 3.37Å; E320-A324 PolarHBondContact O-N 3.31Å; E321-A324 PolarHBondContact O-N 2.81Å; A324-G326 VanDerWaalsContact C-N 3.25Å; A324-G326 PolarHBondContact O-N 2.73Å
325Q89.6Confident78Confident123 Ų12399.5 Ų99.558%0.57553%0.531SS*.THydrogen-bonded Turntrans-82.2-0.3174.3-64.8-169.926.800113.5E321 I323 L327E321-Q325 WeakPolarHBondContact O-CG 3.33Å; E321-Q325 PolarHBondContact O-N 3.28Å; E321-Q325 PolarHBondContact OE1-NE2 3.18Å; I323-Q325 VanDerWaalsContact C-N 3.26Å; I323-Q325 PolarHBondContact O-N 3.2Å; Q325-L327 VanDerWaalsContact C-N 3.28Å; Q325-L327 HydrophobicContact CB-CD1 4.27Å; Q325-L327 HydrophobicContact CB-CG 4.27Å; Q325-L327 PolarHBondContact O-N 3.18Å
326G81Confident76.3Confident64 Ų64106.3 Ų106.366%0.6656%0.563SS**THydrogen-bonded Turntrans7219.1179.200000114.2L322 I323 A324L322-G326 PolarHBondContact O-N 3.46Å; I323-G326 WeakPolarHBondContact O-CA 3.48Å; I323-G326 PolarHBondContact O-N 3.22Å; A324-G326 VanDerWaalsContact C-N 3.25Å; A324-G326 PolarHBondContact O-N 2.73Å
327L84.4Confident74.7Confident116 Ų116111.1 Ų111.161%0.60758%0.584SS**SBendtrans-88.4-21.8177.9-62.7173.9000112.4L322 Q325L322-L327 HydrophobicContact CB-CB 4.48Å; L322-L327 HydrophobicContact CD2-CB 4.23Å; L322-L327 HydrophobicContact CD2-CD1 3.69Å; L322-L327 WeakPolarHBondContact O-CA 3.46Å; L322-L327 WeakPolarHBondContact O-CB 3.24Å; L322-L327 PolarHBondContact O-N 3.06Å; Q325-L327 VanDerWaalsContact C-N 3.28Å; Q325-L327 HydrophobicContact CB-CD1 4.27Å; Q325-L327 HydrophobicContact CB-CG 4.27Å; Q325-L327 PolarHBondContact O-N 3.18Å
328L82Confident73.2Confident65 Ų65107.3 Ų107.334%0.3458%0.584SS.*SBendtrans-127.2146.5172.5-69.9178.5000110.4L260 L322 I323L260-L328 HydrophobicContact CD1-CD1 4.49Å; L260-L328 HydrophobicContact CD2-CD1 4.41Å; L322-L328 HydrophobicContact CB-CB 4.32Å; L322-L328 HydrophobicContact CB-CD1 3.68Å; L322-L328 HydrophobicContact CB-CG 3.89Å; L322-L328 HydrophobicContact CD1-CD1 3.77Å; L322-L328 HydrophobicContact CD1-CG 4.39Å; L322-L328 HydrophobicContact CG-CD1 4.4Å; L322-L328 PolarHBondContact O-N 3.42Å; I323-L328 WeakPolarHBondContact CA-O 3.43Å; I323-L328 HydrophobicContact CG1-CB 3.77Å
329E78.9Confident71.8Confident170 Ų170111 Ų11179%0.79460%0.601SS**  trans-81.1142.5172.4-64.1-178.1169.700110.3E331E329-E331 PolarHBondContact O-N 3.02Å
330S73.7Confident71.3Confident53 Ų53110.4 Ų110.437%0.37160%0.601SS.*  trans-68.7118.7171.958.90000109.5D332 R333S330-D332 PolarHBondContact O-N 3.44Å; S330-R333 PolarHBondContact O-N 3.34Å
331E59.8Low71.1Confident157 Ų157112.8 Ų112.873%0.73461%0.612SS**THydrogen-bonded Turntrans-56.4-16.6173.5-89.4175.813700113.5K319 E329 R333K319-E331 IonicContact NZ-OE2 3.65Å; K319-E331 PolarHBondContact NZ-OE2 3.12Å; E329-E331 PolarHBondContact O-N 3.02Å; E331-R333 PolarHBondContact O-N 3.21Å
332D53.9Low71Confident155 Ų155112.5 Ų112.583%0.82962%0.618SS**THydrogen-bonded Turntrans-77.916.6178.6-84-26.2000114.9S330 P334S330-D332 PolarHBondContact O-N 3.44Å; D332-P334 WeakPolarHBondContact O-CD 3.3Å
333R50.1Low70.8Confident192 Ų192112.7 Ų112.773%0.72562%0.619SS**SBendtrans-78.6109.5163.5-80.3-171.1-173.1-176.35.3108.5S330 E331 A335S330-R333 PolarHBondContact O-N 3.34Å; E331-R333 PolarHBondContact O-N 3.21Å; R333-A335 PolarHBondContact O-N 3.26Å
334P48.3Very low70.9Confident104 Ų104111.9 Ų111.968%0.67562%0.62SS**  trans-59.2118.5171.624.5-32.1000108.3D332 E336D332-P334 WeakPolarHBondContact O-CD 3.3Å; P334-E336 PolarHBondContact O-N 3.16Å
335A56Low71.1Confident104 Ų104111.2 Ų111.286%0.8660%0.603SS**THydrogen-bonded Turntrans-68.69.3-176.900000114.2R333R333-A335 PolarHBondContact O-N 3.26Å
336E51Low71.1Confident181 Ų181109.1 Ų109.185%0.84660%0.595SS**THydrogen-bonded Turntrans-107.2-8.5-167.4-67.8-142.4140.800115.9P334P334-E336 PolarHBondContact O-N 3.16Å
337D51.1Low71.6Confident158 Ų158111.4 Ų111.485%0.84558%0.584SS**SBendtrans-132.412.1-175-98.8-22.2000115.8
338S57.2Low72Confident98 Ų98110.9 Ų110.969%0.68558%0.577SS**  trans-98.1105.5168.3-59.50000108D340S338-D340 PolarHBondContact O-N 3.33Å
339E58.2Low72.6Confident121 Ų121114.7 Ų114.757%0.56559%0.587SS**  trans-47.7112.2159.4-62-169.7134.500106.9A344 R347E339-A344 HydrophobicContact CB-CB 4.39Å; E339-R347 IonicContact OE1-CZ 2.72Å; E339-R347 IonicContact OE1-NH1 2.71Å; E339-R347 PolarHBondContact OE1-NH1 3.21Å
340D77.7Confident73.2Confident65 Ų65108.2 Ų108.235%0.34856%0.557SS.*  trans-60.6149.3178.384.941000108.4S338 V342 L343 A344S338-D340 PolarHBondContact O-N 3.33Å; D340-V342 PolarHBondContact O-N 3.17Å; D340-V342 VanDerWaalsContact O-N 3.08Å; D340-V342 VanDerWaalsContact OD1-CA 3.25Å; D340-V342 WeakPolarHBondContact OD1-CA 3.36Å; D340-V342 WeakPolarHBondContact OD1-CB 3.35Å; D340-V342 PolarHBondContact OD1-N 2.8Å; D340-L343 WeakPolarHBondContact O-CB 3.49Å; D340-L343 PolarHBondContact O-N 3.46Å; D340-L343 PolarHBondContact OD1-N 2.89Å; D340-A344 PolarHBondContact O-N 3.01Å
341E85.3Confident74.2Confident170 Ų170108.5 Ų108.579%0.79456%0.562SS**Hα-helixtrans-53.7-34.3-175.7-175.1-178167.900112E345E341-E345 WeakPolarHBondContact O-CB 3.39Å; E341-E345 PolarHBondContact O-N 2.89Å
342V87Confident75.8Confident99 Ų99105 Ų10560%0.655%0.546SS*.Hα-helixtrans-70.5-43.7179-1770000110.7D340 E345 L346D340-V342 PolarHBondContact O-N 3.17Å; D340-V342 VanDerWaalsContact O-N 3.08Å; D340-V342 VanDerWaalsContact OD1-CA 3.25Å; D340-V342 WeakPolarHBondContact OD1-CA 3.36Å; D340-V342 WeakPolarHBondContact OD1-CB 3.35Å; D340-V342 PolarHBondContact OD1-N 2.8Å; V342-E345 PolarHBondContact O-N 2.61Å; V342-L346 HydrophobicContact CG1-CD1 4.06Å; V342-L346 HydrophobicContact CG1-CG 4.4Å; V342-L346 VanDerWaalsContact O-CB 3.28Å; V342-L346 WeakPolarHBondContact O-CB 3.47Å; V342-L346 WeakPolarHBondContact O-CG 3.4Å; V342-L346 PolarHBondContact O-N 3.13Å
343L86.4Confident77.6Confident37 Ų37101.7 Ų101.719%0.19453%0.527CS..Hα-helixtrans-65.5-42.7177.7-178.961.7000111.2I189 D340 L346 R347I189-L343 HydrophobicContact CD1-CD1 3.82Å; I189-L343 HydrophobicContact CG2-CD1 3.98Å; D340-L343 WeakPolarHBondContact O-CB 3.49Å; D340-L343 PolarHBondContact O-N 3.46Å; D340-L343 PolarHBondContact OD1-N 2.89Å; L343-L346 PolarHBondContact O-N 3.48Å; L343-R347 WeakPolarHBondContact O-CG 3.43Å; L343-R347 PolarHBondContact O-N 3.01Å
344A89.2Confident79.6Confident37 Ų3797.5 Ų97.531%0.30651%0.514SS..Hα-helixtrans-62.5-47.3175.500000111.3E339 D340 R347 K348E339-A344 HydrophobicContact CB-CB 4.39Å; D340-A344 PolarHBondContact O-N 3.01Å; A344-R347 PolarHBondContact O-N 3.3Å; A344-K348 WeakPolarHBondContact O-CB 3.29Å; A344-K348 PolarHBondContact O-N 3.15Å
345E91.9Very high81.7Confident67 Ų6795.6 Ų95.631%0.31351%0.507SS..Hα-helixtrans-66.5-39.3177.3-17265.1-166.100111.3E341 V342 R347 K348 R349E341-E345 WeakPolarHBondContact O-CB 3.39Å; E341-E345 PolarHBondContact O-N 2.89Å; V342-E345 PolarHBondContact O-N 2.61Å; E345-R347 PolarHBondContact O-N 2.76Å; E345-K348 WeakPolarHBondContact O-CB 3.46Å; E345-K348 PolarHBondContact O-N 3.36Å; E345-K348 IonicContact OE1-NZ 3.55Å; E345-K348 IonicContact OE2-NZ 2.63Å; E345-K348 PolarHBondContact OE2-NZ 3.05Å; E345-R349 HydrophobicContact CG-CG 4.45Å; E345-R349 VanDerWaalsContact O-CG 3.29Å; E345-R349 WeakPolarHBondContact O-CG 3.33Å; E345-R349 PolarHBondContact O-N 2.76Å; E345-R349 IonicContact OE1-CZ 3.47Å; E345-R349 VanDerWaalsContact OE1-CZ 3.26Å; E345-R349 IonicContact OE1-NE 3.34Å; E345-R349 PolarHBondContact OE1-NE 2.84Å; E345-R349 IonicContact OE1-NH2 3.33Å; E345-R349 PolarHBondContact OE1-NH2 3.48Å
346L91.1Very high83.5Confident79 Ų7995.6 Ų95.641%0.41449%0.492SS..Hα-helixtrans-58.6-47.4173.9-80.2170.3000111.6I189 V342 L343 K348 R349 Q350I189-L346 HydrophobicContact CD1-CB 4.16Å; V342-L346 HydrophobicContact CG1-CD1 4.06Å; V342-L346 HydrophobicContact CG1-CG 4.4Å; V342-L346 VanDerWaalsContact O-CB 3.28Å; V342-L346 WeakPolarHBondContact O-CB 3.47Å; V342-L346 WeakPolarHBondContact O-CG 3.4Å; V342-L346 PolarHBondContact O-N 3.13Å; L343-L346 PolarHBondContact O-N 3.48Å; L346-K348 VanDerWaalsContact C-N 3.34Å; L346-K348 PolarHBondContact O-N 3.18Å; L346-R349 PolarHBondContact O-N 3.03Å; L346-Q350 WeakPolarHBondContact O-CB 3.49Å; L346-Q350 VanDerWaalsContact O-CG 3.28Å; L346-Q350 WeakPolarHBondContact O-CG 3.39Å; L346-Q350 PolarHBondContact O-N 2.84Å
347R90.6Very high85.3Confident112 Ų11288.3 Ų88.342%0.42346%0.461SS..Hα-helixtrans-61.4-42.5176.8-76.5-179.3175.9134.39.1112I189 E339 L343 A344 E345 Q350 A351I189-R347 HydrophobicContact CD1-CG 4.02Å; E339-R347 IonicContact OE1-CZ 2.72Å; E339-R347 IonicContact OE1-NH1 2.71Å; E339-R347 PolarHBondContact OE1-NH1 3.21Å; L343-R347 WeakPolarHBondContact O-CG 3.43Å; L343-R347 PolarHBondContact O-N 3.01Å; A344-R347 PolarHBondContact O-N 3.3Å; E345-R347 PolarHBondContact O-N 2.76Å; R347-Q350 PolarHBondContact O-N 2.91Å; R347-A351 PolarHBondContact O-N 3.12Å
348K93.6Very high87.2Confident105 Ų10583 Ų8346%0.45744%0.44SS..Hα-helixtrans-61.2-48175.9178.7-176.7163.8-158.50111.7A344 E345 L346 Q350 A351 E352A344-K348 WeakPolarHBondContact O-CB 3.29Å; A344-K348 PolarHBondContact O-N 3.15Å; E345-K348 WeakPolarHBondContact O-CB 3.46Å; E345-K348 PolarHBondContact O-N 3.36Å; E345-K348 IonicContact OE1-NZ 3.55Å; E345-K348 IonicContact OE2-NZ 2.63Å; E345-K348 PolarHBondContact OE2-NZ 3.05Å; L346-K348 VanDerWaalsContact C-N 3.34Å; L346-K348 PolarHBondContact O-N 3.18Å; K348-Q350 VanDerWaalsContact C-N 3.32Å; K348-Q350 PolarHBondContact O-N 3.18Å; K348-A351 WeakPolarHBondContact O-CB 3.44Å; K348-A351 PolarHBondContact O-N 3.46Å; K348-A351 VanDerWaalsContact O-N 3.1Å; K348-E352 WeakPolarHBondContact CE-OE1 3.47Å; K348-E352 PolarHBondContact O-N 3.13Å
349R93.9Very high89Confident144 Ų14483.1 Ų83.154%0.54343%0.429SS..Hα-helixtrans-63.2-37.3176.9-65.4-56.5176.7136.95112.5E345 L346 A351 E352 L353E345-R349 HydrophobicContact CG-CG 4.45Å; E345-R349 VanDerWaalsContact O-CG 3.29Å; E345-R349 WeakPolarHBondContact O-CG 3.33Å; E345-R349 PolarHBondContact O-N 2.76Å; E345-R349 IonicContact OE1-CZ 3.47Å; E345-R349 VanDerWaalsContact OE1-CZ 3.26Å; E345-R349 IonicContact OE1-NE 3.34Å; E345-R349 PolarHBondContact OE1-NE 2.84Å; E345-R349 IonicContact OE1-NH2 3.33Å; E345-R349 PolarHBondContact OE1-NH2 3.48Å; L346-R349 PolarHBondContact O-N 3.03Å; R349-A351 VanDerWaalsContact C-N 3.33Å; R349-A351 PolarHBondContact O-N 3.27Å; R349-E352 WeakPolarHBondContact CD-OE2 3.41Å; R349-E352 PolarHBondContact O-N 2.85Å; R349-L353 VanDerWaalsContact O-CB 3.28Å; R349-L353 WeakPolarHBondContact O-CB 3.26Å; R349-L353 PolarHBondContact O-N 2.77Å
350Q92.3Very high90.6Very high35 Ų3581.5 Ų81.516%0.16442%0.424CS..Hα-helixtrans-63-39.2172.8-73.9-177.4-10.900112.2Y187 I189 L346 R347 K348 K354Y187-Q350 HydrophobicContact CD1-CB 4.22Å; Y187-Q350 HydrophobicContact CD1-CG 4.17Å; Y187-Q350 PolarHBondContact O-NE2 3.46Å; I189-Q350 VanDerWaalsContact CG1-NE2 3.32Å; L346-Q350 WeakPolarHBondContact O-CB 3.49Å; L346-Q350 VanDerWaalsContact O-CG 3.28Å; L346-Q350 WeakPolarHBondContact O-CG 3.39Å; L346-Q350 PolarHBondContact O-N 2.84Å; R347-Q350 PolarHBondContact O-N 2.91Å; K348-Q350 VanDerWaalsContact C-N 3.32Å; K348-Q350 PolarHBondContact O-N 3.18Å; Q350-K354 WeakPolarHBondContact O-CB 3.43Å; Q350-K354 VanDerWaalsContact O-CG 3.28Å; Q350-K354 WeakPolarHBondContact O-CG 3.49Å; Q350-K354 PolarHBondContact O-N 3.15Å
351A92.8Very high91.2Very high58 Ų5882.7 Ų82.748%0.47942%0.424SS..Hα-helixtrans-66.5-44.7176.200000112.1R347 K348 R349 K354 A355R347-A351 PolarHBondContact O-N 3.12Å; K348-A351 WeakPolarHBondContact O-CB 3.44Å; K348-A351 PolarHBondContact O-N 3.46Å; K348-A351 VanDerWaalsContact O-N 3.1Å; R349-A351 VanDerWaalsContact C-N 3.33Å; R349-A351 PolarHBondContact O-N 3.27Å; A351-K354 PolarHBondContact O-N 3.47Å; A351-A355 PolarHBondContact O-N 3.48Å
352E94.6Very high91.6Very high84 Ų8478.4 Ų78.439%0.39341%0.409SS..Hα-helixtrans-59.9-45.6174.5-71173.5-172.700111.4K348 R349 K354 A355 L356K348-E352 WeakPolarHBondContact CE-OE1 3.47Å; K348-E352 PolarHBondContact O-N 3.13Å; R349-E352 WeakPolarHBondContact CD-OE2 3.41Å; R349-E352 PolarHBondContact O-N 2.85Å; E352-K354 VanDerWaalsContact C-N 3.34Å; E352-K354 PolarHBondContact O-N 2.96Å; E352-A355 PolarHBondContact O-N 3.37Å; E352-L356 WeakPolarHBondContact O-CG 3.49Å; E352-L356 PolarHBondContact O-N 2.7Å
353L92Very high91.9Very high85 Ų8578.9 Ų78.945%0.44540%0.404SS..Hα-helixtrans-62.4-40178.1-177.460.8000112Y187 R349 S357Y187-L353 HydrophobicContact CE1-CB 4.46Å; Y187-L353 HydrophobicContact CE1-CD2 3.96Å; Y187-L353 HydrophobicContact CE1-CG 4.21Å; R349-L353 VanDerWaalsContact O-CB 3.28Å; R349-L353 WeakPolarHBondContact O-CB 3.26Å; R349-L353 PolarHBondContact O-N 2.77Å; L353-S357 WeakPolarHBondContact O-CB 3.25Å; L353-S357 PolarHBondContact O-N 3.15Å; L353-S357 PolarHBondContact O-OG 3.12Å
354K91.1Very high92.1Very high105 Ų10580 Ų8046%0.45741%0.407SS..Hα-helixtrans-62.1-45.3174.3-77.6170.6-177.61730111.6Y187 Q350 A351 E352 S357 A358Y187-K354 HydrophobicContact CD1-CG 4.27Å; Y187-K354 HydrophobicContact CE1-CD 4.38Å; Y187-K354 HydrophobicContact CE1-CG 3.65Å; Y187-K354 HydrophobicContact CE2-CG 4.43Å; Q350-K354 WeakPolarHBondContact O-CB 3.43Å; Q350-K354 VanDerWaalsContact O-CG 3.28Å; Q350-K354 WeakPolarHBondContact O-CG 3.49Å; Q350-K354 PolarHBondContact O-N 3.15Å; A351-K354 PolarHBondContact O-N 3.47Å; E352-K354 VanDerWaalsContact C-N 3.34Å; E352-K354 PolarHBondContact O-N 2.96Å; K354-S357 PolarHBondContact O-N 3.23Å; K354-A358 WeakPolarHBondContact O-CB 3.3Å; K354-A358 PolarHBondContact O-N 3.49Å
355A93.9Very high92.2Very high63 Ų6383.1 Ų83.152%0.52142%0.415SS..Hα-helixtrans-63.3-45.2178.900000111.9A351 E352 A358 H359A351-A355 PolarHBondContact O-N 3.48Å; E352-A355 PolarHBondContact O-N 3.37Å; A355-A358 PolarHBondContact O-N 2.88Å; A355-H359 WeakPolarHBondContact O-CB 3.46Å; A355-H359 PolarHBondContact O-N 3.47Å
356L93.2Very high92.2Very high104 Ų10482.8 Ų82.855%0.54542%0.415SS..Hα-helixtrans-64.1-43.2176-73.5171.7000112.1E352 A358 H359 N360E352-L356 WeakPolarHBondContact O-CG 3.49Å; E352-L356 PolarHBondContact O-N 2.7Å; L356-A358 VanDerWaalsContact C-N 3.33Å; L356-A358 PolarHBondContact O-N 2.85Å; L356-H359 PolarHBondContact O-N 2.81Å; L356-N360 WeakPolarHBondContact O-CB 3.47Å; L356-N360 VanDerWaalsContact O-CG 3.26Å; L356-N360 PolarHBondContact O-N 3.12Å; L356-N360 PolarHBondContact O-ND2 3.41Å
357S89.6Confident92.1Very high28 Ų2884.5 Ų84.520%0.19642%0.424CS..Hα-helixtrans-64-39.2178.4-61.10000111.8L353 K354 R361L353-S357 WeakPolarHBondContact O-CB 3.25Å; L353-S357 PolarHBondContact O-N 3.15Å; L353-S357 PolarHBondContact O-OG 3.12Å; K354-S357 PolarHBondContact O-N 3.23Å; S357-R361 WeakPolarHBondContact O-CB 3.21Å; S357-R361 WeakPolarHBondContact O-CG 3.44Å; S357-R361 PolarHBondContact O-N 2.96Å; S357-R361 PolarHBondContact O-NE 2.98Å
358A90.8Very high91.9Very high48 Ų4882.1 Ų82.140%0.39742%0.419SS..Hα-helixtrans-64.7-47.2173.300000111.5K354 A355 L356 N360 R361 T362K354-A358 WeakPolarHBondContact O-CB 3.3Å; K354-A358 PolarHBondContact O-N 3.49Å; A355-A358 PolarHBondContact O-N 2.88Å; L356-A358 VanDerWaalsContact C-N 3.33Å; L356-A358 PolarHBondContact O-N 2.85Å; A358-N360 PolarHBondContact O-N 3.18Å; A358-R361 PolarHBondContact O-N 3.25Å; A358-T362 PolarHBondContact O-N 2.8Å; A358-T362 PolarHBondContact O-OG1 2.86Å
359H94.6Very high91.1Very high100 Ų10088.3 Ų88.346%0.46344%0.44SS..Hα-helixtrans-58.5-47.3177.3-176.176.6000112.2A355 L356 R361 T362 K363A355-H359 WeakPolarHBondContact O-CB 3.46Å; A355-H359 PolarHBondContact O-N 3.47Å; L356-H359 PolarHBondContact O-N 2.81Å; H359-R361 VanDerWaalsContact C-N 3.33Å; H359-R361 PolarHBondContact O-N 2.78Å; H359-T362 PolarHBondContact O-N 3.34Å; H359-K363 WeakPolarHBondContact O-CG 3.43Å; H359-K363 PolarHBondContact O-N 3.32Å
360N91.8Very high91Very high87 Ų8785.6 Ų85.647%0.46544%0.435SS..Hα-helixtrans-62.6-39.5178-72.8-16.4000111.8L356 A358 K363 K364L356-N360 WeakPolarHBondContact O-CB 3.47Å; L356-N360 VanDerWaalsContact O-CG 3.26Å; L356-N360 PolarHBondContact O-N 3.12Å; L356-N360 PolarHBondContact O-ND2 3.41Å; A358-N360 PolarHBondContact O-N 3.18Å; N360-K363 PolarHBondContact O-N 2.96Å; N360-K364 WeakPolarHBondContact O-CB 3.38Å; N360-K364 VanDerWaalsContact O-CG 3.27Å; N360-K364 WeakPolarHBondContact O-CG 3.35Å; N360-K364 PolarHBondContact O-N 2.76Å
361R90.3Very high90.9Very high89 Ų8988.2 Ų88.234%0.33645%0.449SS..Hα-helixtrans-62.2-45.1173.6-82-173.8-89.9-161-3.6111.6E183 S357 A358 H359 K364 H365E183-R361 IonicContact OE1-CZ 3.94Å; E183-R361 IonicContact OE1-NH1 3.8Å; E183-R361 PolarHBondContact OE1-NH1 2.9Å; E183-R361 IonicContact OE1-NH2 3.4Å; E183-R361 PolarHBondContact OE1-NH2 2.87Å; E183-R361 IonicContact OE2-CZ 3.56Å; E183-R361 IonicContact OE2-NH1 3.93Å; E183-R361 PolarHBondContact OE2-NH1 3.44Å; E183-R361 IonicContact OE2-NH2 2.79Å; E183-R361 PolarHBondContact OE2-NH2 2.89Å; S357-R361 WeakPolarHBondContact O-CB 3.21Å; S357-R361 WeakPolarHBondContact O-CG 3.44Å; S357-R361 PolarHBondContact O-N 2.96Å; S357-R361 PolarHBondContact O-NE 2.98Å; A358-R361 PolarHBondContact O-N 3.25Å; H359-R361 VanDerWaalsContact C-N 3.33Å; H359-R361 PolarHBondContact O-N 2.78Å; R361-K364 PolarHBondContact O-N 3.42Å; R361-H365 WeakPolarHBondContact O-CB 3.48Å; R361-H365 PolarHBondContact O-N 3.44Å
362T93.1Very high90.8Very high80 Ų8089.9 Ų89.949%0.49145%0.448SS..Hα-helixtrans-59.9-47.1175-56.80000111.6A358 H359 K364 H365 D366A358-T362 PolarHBondContact O-N 2.8Å; A358-T362 PolarHBondContact O-OG1 2.86Å; H359-T362 PolarHBondContact O-N 3.34Å; T362-K364 PolarHBondContact O-N 3.37Å; T362-H365 WeakPolarHBondContact O-CB 3.22Å; T362-H365 PolarHBondContact O-N 2.95Å; T362-H365 VanDerWaalsContact O-N 3.11Å; T362-D366 PolarHBondContact O-N 3.13Å
363K93.7Very high90.6Very high110 Ų11090.2 Ų90.248%0.47845%0.451SS..Hα-helixtrans-61.9-43.3178.4-71.3-64.7-177.6-175.80112.9H359 N360 H365 D366 L367H359-K363 WeakPolarHBondContact O-CG 3.43Å; H359-K363 PolarHBondContact O-N 3.32Å; N360-K363 PolarHBondContact O-N 2.96Å; K363-H365 VanDerWaalsContact C-N 3.27Å; K363-H365 PolarHBondContact O-N 2.95Å; K363-D366 PolarHBondContact O-N 2.92Å; K363-L367 WeakPolarHBondContact O-CG 3.48Å; K363-L367 PolarHBondContact O-N 3.35Å
364K90.8Very high90.5Very high61 Ų6190.6 Ų90.627%0.26545%0.451SS..Hα-helixtrans-59.6-38.8173.4-74.5172.9174.6-178.40111.9L176 L177 N360 R361 T362 L367 L368L176-K364 HydrophobicContact CB-CD 4.35Å; L176-K364 PolarHBondContact O-NZ 3.29Å; L177-K364 HydrophobicContact CD1-CB 4.41Å; L177-K364 HydrophobicContact CD2-CB 3.82Å; L177-K364 HydrophobicContact CG-CB 3.98Å; N360-K364 WeakPolarHBondContact O-CB 3.38Å; N360-K364 VanDerWaalsContact O-CG 3.27Å; N360-K364 WeakPolarHBondContact O-CG 3.35Å; N360-K364 PolarHBondContact O-N 2.76Å; R361-K364 PolarHBondContact O-N 3.42Å; T362-K364 PolarHBondContact O-N 3.37Å; K364-L367 PolarHBondContact O-N 3.35Å; K364-L368 PolarHBondContact O-N 2.97Å
365H91.5Very high90.5Very high102 Ų10289.6 Ų89.647%0.47245%0.451SS..Hα-helixtrans-70.4-33.8177.3-161.2-49.9000112.4L177 R361 T362 K363 L367 L368L177-H365 HydrophobicContact CD2-CB 4.31Å; R361-H365 WeakPolarHBondContact O-CB 3.48Å; R361-H365 PolarHBondContact O-N 3.44Å; T362-H365 WeakPolarHBondContact O-CB 3.22Å; T362-H365 PolarHBondContact O-N 2.95Å; T362-H365 VanDerWaalsContact O-N 3.11Å; K363-H365 VanDerWaalsContact C-N 3.27Å; K363-H365 PolarHBondContact O-N 2.95Å; H365-L367 VanDerWaalsContact C-N 3.34Å; H365-L368 PolarHBondContact O-N 3.28Å
366D92.3Very high90.3Very high60 Ų6091.5 Ų91.532%0.32145%0.446SS..Hα-helixtrans-68.6-32.9174.1-69.4-28000111.7T362 K363 L368 R369T362-D366 PolarHBondContact O-N 3.13Å; K363-D366 PolarHBondContact O-N 2.92Å; D366-L368 PolarHBondContact O-N 3.36Å; D366-R369 PolarHBondContact O-N 3.41Å; D366-R369 IonicContact OD1-CZ 3.77Å; D366-R369 IonicContact OD1-NH1 3.23Å; D366-R369 PolarHBondContact OD1-NH1 3.32Å; D366-R369 IonicContact OD1-NH2 3.08Å
367L88.9Confident90Very high114 Ų11490.5 Ų90.560%0.59744%0.438SS*.THydrogen-bonded Turntrans-68.5-17.4175-69.3172.5000114L173 K363 K364 H365L173-L367 HydrophobicContact CD1-CB 4.32Å; L173-L367 HydrophobicContact CD2-CD1 4.44Å; K363-L367 WeakPolarHBondContact O-CG 3.48Å; K363-L367 PolarHBondContact O-N 3.35Å; K364-L367 PolarHBondContact O-N 3.35Å; H365-L367 VanDerWaalsContact C-N 3.34Å
368L85.2Confident90.1Very high62 Ų6295.8 Ų95.833%0.32546%0.458SS..THydrogen-bonded Turntrans-87.1-10.8174.8-78.5-177.7000113.7V170 L173 E174 L177 K364 H365 D366V170-L368 HydrophobicContact CG1-CD2 3.97Å; L173-L368 HydrophobicContact CB-CD2 3.79Å; L173-L368 HydrophobicContact CB-CG 4.24Å; L173-L368 HydrophobicContact CD1-CD2 4.15Å; E174-L368 HydrophobicContact CG-CD1 4.19Å; E174-L368 HydrophobicContact CG-CD2 4.44Å; L177-L368 HydrophobicContact CD1-CD1 3.26Å; L177-L368 HydrophobicContact CD1-CG 4.17Å; K364-L368 PolarHBondContact O-N 2.97Å; H365-L368 PolarHBondContact O-N 3.28Å; D366-L368 PolarHBondContact O-N 3.36Å
369R77.9Confident90Very high236 Ų236100.1 Ų100.189%0.89146%0.464SS*.  trans-87.20175.5-66.4-170.9-171.9127.26.9110.4D366D366-R369 PolarHBondContact O-N 3.41Å; D366-R369 IonicContact OD1-CZ 3.77Å; D366-R369 IonicContact OD1-NH1 3.23Å; D366-R369 PolarHBondContact OD1-NH1 3.32Å; D366-R369 IonicContact OD1-NH2 3.08Å

Retrieved 369 of 369 residues in 801.2 ms (Link to these results)

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