A0A3Q0KS02_SCHMA Loading...

ANK_REP_REGION domain-containing protein

AlphaFold DB (A0A5K4EVC1), UniProt , Accession A0A3Q0KS02, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 712 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M41.2Very low63.4Low212 Ų212102.3 Ų102.3100%1.04452%0.524SS*.  0-47.10-82179.7169.700112.2D3 R4M1-D3 VanDerWaalsContact C-N 3.27Å; M1-D3 PolarHBondContact O-N 3.45Å; M1-D3 VanDerWaalsContact O-N 3.15Å; M1-R4 WeakPolarHBondContact O-CB 3.32Å; M1-R4 PolarHBondContact O-N 3.21Å
2N40.7Very low64.5Low129 Ų129102.9 Ų102.969%0.6952%0.52SS*.Hα-helixtrans-56.9-28.7-176.1-68.5-2000116.1R4 S5N2-R4 VanDerWaalsContact C-N 3.34Å; N2-S5 PolarHBondContact O-OG 3.26Å
3D57.1Low65.8Low119 Ų119100.9 Ų100.964%0.63652%0.516SS*.Hα-helixtrans-78.5-19.9177.1-52.2-58.4000113.4M1 L7M1-D3 VanDerWaalsContact C-N 3.27Å; M1-D3 PolarHBondContact O-N 3.45Å; M1-D3 VanDerWaalsContact O-N 3.15Å; D3-L7 WeakPolarHBondContact O-CB 3.41Å; D3-L7 PolarHBondContact O-N 3.15Å
4R58.8Low66.6Low124 Ų12499.6 Ų99.647%0.46851%0.509SS..Hα-helixtrans-72.6-43.5-177.6-177.9176.4161.1172.9-8.2111.8M1 N2 K6 L7 E8 T52M1-R4 WeakPolarHBondContact O-CB 3.32Å; M1-R4 PolarHBondContact O-N 3.21Å; N2-R4 VanDerWaalsContact C-N 3.34Å; R4-K6 VanDerWaalsContact C-N 3.33Å; R4-L7 PolarHBondContact O-N 2.98Å; R4-E8 WeakPolarHBondContact CG-OE1 3.48Å; R4-E8 IonicContact CZ-OE1 3.49Å; R4-E8 IonicContact NE-OE1 2.79Å; R4-E8 PolarHBondContact NE-OE1 3.26Å; R4-E8 IonicContact NH2-OE1 3.25Å; R4-E8 PolarHBondContact NH2-OE1 3.21Å; R4-E8 WeakPolarHBondContact O-CB 3.34Å; R4-E8 WeakPolarHBondContact O-CG 3.42Å; R4-E8 PolarHBondContact O-N 3.1Å; R4-T52 PolarHBondContact NH2-O 3.14Å
5S66.4Low67.3Low61 Ų6193.6 Ų93.643%0.42748%0.479SS..Hα-helixtrans-65.9-36.4175.255.10000111.9N2 N9N2-S5 PolarHBondContact O-OG 3.26Å; S5-N9 VanDerWaalsContact O-CB 3.31Å; S5-N9 WeakPolarHBondContact O-CB 3.43Å; S5-N9 PolarHBondContact O-N 2.73Å; S5-N9 PolarHBondContact O-ND2 3.29Å
6K70Confident68.2Low137 Ų13796.8 Ų96.860%0.59649%0.491SS*.Hα-helixtrans-59.4-50.7169.9-69.2179.1-178.9174.70111.1R4 E8 N9 S10R4-K6 VanDerWaalsContact C-N 3.33Å; K6-E8 PolarHBondContact O-N 3.41Å; K6-N9 PolarHBondContact O-N 3.25Å; K6-S10 PolarHBondContact O-N 3.28Å; K6-S10 PolarHBondContact O-OG 3.29Å
7L66.5Low68.9Low102 Ų10297.9 Ų97.953%0.53449%0.494SS..Hα-helixtrans-61.7-44.4-179.9-16194.4000112.5D3 R4 N9 S10 L11D3-L7 WeakPolarHBondContact O-CB 3.41Å; D3-L7 PolarHBondContact O-N 3.15Å; R4-L7 PolarHBondContact O-N 2.98Å; L7-N9 VanDerWaalsContact C-N 3.34Å; L7-N9 PolarHBondContact O-N 3.07Å; L7-S10 PolarHBondContact O-N 2.79Å; L7-L11 HydrophobicContact CD2-CD1 4.29Å; L7-L11 HydrophobicContact CG-CD1 4.43Å; L7-L11 WeakPolarHBondContact O-CB 3.39Å; L7-L11 WeakPolarHBondContact O-CG 3.48Å; L7-L11 PolarHBondContact O-N 2.9Å
8E73Confident69.4Low34 Ų3494.6 Ų94.616%0.15948%0.478CS..Hα-helixtrans-62.9-38.9176.3-74.7171.7-164.900111.8R4 K6 K12 T52R4-E8 WeakPolarHBondContact CG-OE1 3.48Å; R4-E8 IonicContact CZ-OE1 3.49Å; R4-E8 IonicContact NE-OE1 2.79Å; R4-E8 PolarHBondContact NE-OE1 3.26Å; R4-E8 IonicContact NH2-OE1 3.25Å; R4-E8 PolarHBondContact NH2-OE1 3.21Å; R4-E8 WeakPolarHBondContact O-CB 3.34Å; R4-E8 WeakPolarHBondContact O-CG 3.42Å; R4-E8 PolarHBondContact O-N 3.1Å; K6-E8 PolarHBondContact O-N 3.41Å; E8-K12 VanDerWaalsContact O-CG 3.27Å; E8-K12 WeakPolarHBondContact O-CG 3.47Å; E8-K12 PolarHBondContact O-N 3.45Å; E8-T52 HydrophobicContact CG-CG2 4.47Å
9N74.9Confident69.9Low91 Ų9195.2 Ų95.249%0.48748%0.477SS..Hα-helixtrans-69.1-43.9174.9-73.5-16.3000112S5 K6 L7 L11 K12 V13S5-N9 VanDerWaalsContact O-CB 3.31Å; S5-N9 WeakPolarHBondContact O-CB 3.43Å; S5-N9 PolarHBondContact O-N 2.73Å; S5-N9 PolarHBondContact O-ND2 3.29Å; K6-N9 PolarHBondContact O-N 3.25Å; L7-N9 VanDerWaalsContact C-N 3.34Å; L7-N9 PolarHBondContact O-N 3.07Å; N9-L11 VanDerWaalsContact C-N 3.34Å; N9-L11 PolarHBondContact O-N 3.24Å; N9-K12 PolarHBondContact O-N 3.23Å; N9-V13 WeakPolarHBondContact O-CG2 3.31Å; N9-V13 PolarHBondContact O-N 3.06Å
10S74.1Confident70.5Confident68 Ų6893.8 Ų93.848%0.47648%0.477SS..Hα-helixtrans-59.3-42.9173.4-63.30000112K6 L7 K12 V13 I14K6-S10 PolarHBondContact O-N 3.28Å; K6-S10 PolarHBondContact O-OG 3.29Å; L7-S10 PolarHBondContact O-N 2.79Å; S10-K12 PolarHBondContact O-N 2.95Å; S10-V13 PolarHBondContact O-N 3.35Å; S10-I14 VanDerWaalsContact O-CG1 3.29Å; S10-I14 WeakPolarHBondContact O-CG1 3.27Å; S10-I14 PolarHBondContact O-N 3.02Å
11L74.8Confident70.9Confident48 Ų4894.6 Ų94.625%0.25148%0.477SS..Hα-helixtrans-63-38.8175.1-82.5165.6000112.6L7 N9 L15L7-L11 HydrophobicContact CD2-CD1 4.29Å; L7-L11 HydrophobicContact CG-CD1 4.43Å; L7-L11 WeakPolarHBondContact O-CB 3.39Å; L7-L11 WeakPolarHBondContact O-CG 3.48Å; L7-L11 PolarHBondContact O-N 2.9Å; N9-L11 VanDerWaalsContact C-N 3.34Å; N9-L11 PolarHBondContact O-N 3.24Å; L11-L15 VanDerWaalsContact O-CB 3.31Å; L11-L15 WeakPolarHBondContact O-CB 3.28Å; L11-L15 PolarHBondContact O-N 3.27Å
12K77.1Confident72.5Confident110 Ų11090.2 Ų90.248%0.47845%0.449SS..Hα-helixtrans-64-42.9174.3-74.2165.8-174168.60111.8E8 N9 S10 L15 Q16E8-K12 VanDerWaalsContact O-CG 3.27Å; E8-K12 WeakPolarHBondContact O-CG 3.47Å; E8-K12 PolarHBondContact O-N 3.45Å; N9-K12 PolarHBondContact O-N 3.23Å; S10-K12 PolarHBondContact O-N 2.95Å; K12-L15 PolarHBondContact O-N 2.9Å; K12-Q16 PolarHBondContact O-N 3.49Å
13V81.4Confident74.2Confident77 Ų7791.1 Ų91.147%0.46745%0.453SS..Hα-helixtrans-62.9-48.4176.1172.40000111.2N9 S10 L15 Q16 Q17N9-V13 WeakPolarHBondContact O-CG2 3.31Å; N9-V13 PolarHBondContact O-N 3.06Å; S10-V13 PolarHBondContact O-N 3.35Å; V13-L15 VanDerWaalsContact C-N 3.31Å; V13-L15 PolarHBondContact O-N 2.98Å; V13-Q16 WeakPolarHBondContact O-CB 3.4Å; V13-Q16 PolarHBondContact O-N 3.25Å; V13-Q17 WeakPolarHBondContact O-CG 3.46Å; V13-Q17 PolarHBondContact O-N 3.49Å
14I76.4Confident75.3Confident82 Ų8290.3 Ų90.342%0.42145%0.452SS..Hα-helixtrans-60.2-42.2176.9-67163.6000110.6S10 Q16 Q17 L18S10-I14 VanDerWaalsContact O-CG1 3.29Å; S10-I14 WeakPolarHBondContact O-CG1 3.27Å; S10-I14 PolarHBondContact O-N 3.02Å; I14-Q16 VanDerWaalsContact C-N 3.29Å; I14-Q16 PolarHBondContact O-N 3.12Å; I14-Q17 PolarHBondContact O-N 3.08Å; I14-L18 HydrophobicContact CG2-CD1 3.91Å; I14-L18 HydrophobicContact CG2-CG 4.34Å; I14-L18 WeakPolarHBondContact O-CB 3.43Å; I14-L18 WeakPolarHBondContact O-CG 3.31Å; I14-L18 PolarHBondContact O-N 2.87Å
15L77.9Confident76Confident10 Ų1085.1 Ų85.15%0.05243%0.434CS..Hα-helixtrans-63-32.5174.8-97.1170.9000113.5L11 K12 V13 K19 I42 S45 K46 L49L11-L15 VanDerWaalsContact O-CB 3.31Å; L11-L15 WeakPolarHBondContact O-CB 3.28Å; L11-L15 PolarHBondContact O-N 3.27Å; K12-L15 PolarHBondContact O-N 2.9Å; V13-L15 VanDerWaalsContact C-N 3.31Å; V13-L15 PolarHBondContact O-N 2.98Å; L15-K19 WeakPolarHBondContact O-CB 3.48Å; L15-K19 WeakPolarHBondContact O-CD 3.25Å; L15-K19 WeakPolarHBondContact O-CG 3.38Å; L15-K19 PolarHBondContact O-N 3.32Å; L15-K19 VanDerWaalsContact O-N 3.16Å; L15-I42 HydrophobicContact CD2-CB 4.3Å; L15-I42 HydrophobicContact CD2-CG1 4.28Å; L15-I42 HydrophobicContact CD2-CG2 3.97Å; L15-S45 WeakPolarHBondContact CD2-OG 3.34Å; L15-S45 WeakPolarHBondContact CG-OG 3.44Å; L15-K46 HydrophobicContact CD1-CG 4.48Å; L15-K46 HydrophobicContact CD2-CG 4.48Å; L15-L49 HydrophobicContact CD1-CD1 3.38Å
16Q81.4Confident76.4Confident145 Ų14585.3 Ų85.368%0.67843%0.433SS*.Hα-helixtrans-71.9-44.1176-171.6165.6-1100110.9K12 V13 I14 K19 S20K12-Q16 PolarHBondContact O-N 3.49Å; V13-Q16 WeakPolarHBondContact O-CB 3.4Å; V13-Q16 PolarHBondContact O-N 3.25Å; I14-Q16 VanDerWaalsContact C-N 3.29Å; I14-Q16 PolarHBondContact O-N 3.12Å; Q16-K19 PolarHBondContact O-N 3.39Å; Q16-S20 PolarHBondContact O-N 2.97Å; Q16-S20 PolarHBondContact O-OG 2.96Å
17Q80.6Confident76.4Confident116 Ų11683.6 Ų83.654%0.54244%0.439SS..Hα-helixtrans-62-42.3174.7-69.8174-22.300112.7V13 I14 K19 S20 F21V13-Q17 WeakPolarHBondContact O-CG 3.46Å; V13-Q17 PolarHBondContact O-N 3.49Å; I14-Q17 PolarHBondContact O-N 3.08Å; Q17-K19 VanDerWaalsContact C-N 3.34Å; Q17-K19 PolarHBondContact O-N 2.89Å; Q17-S20 WeakPolarHBondContact CA-OG 3.47Å; Q17-S20 PolarHBondContact O-N 3.44Å; Q17-S20 PolarHBondContact O-OG 3.38Å; Q17-F21 VanDerWaalsContact O-CB 3.3Å; Q17-F21 WeakPolarHBondContact O-CB 3.41Å; Q17-F21 PolarHBondContact O-N 3.16Å
18L76.6Confident76.5Confident37 Ų3783.2 Ų83.219%0.19444%0.438CS..Hα-helixtrans-67.4-33.4176.3-71.3171.9000112.5I14 R22 V41 I42I14-L18 HydrophobicContact CG2-CD1 3.91Å; I14-L18 HydrophobicContact CG2-CG 4.34Å; I14-L18 WeakPolarHBondContact O-CB 3.43Å; I14-L18 WeakPolarHBondContact O-CG 3.31Å; I14-L18 PolarHBondContact O-N 2.87Å; L18-R22 WeakPolarHBondContact O-CB 3.31Å; L18-R22 PolarHBondContact O-N 3.06Å; L18-V41 HydrophobicContact CD1-CB 4.45Å; L18-V41 HydrophobicContact CD1-CG1 3.59Å; L18-I42 HydrophobicContact CB-CD1 4.15Å; L18-I42 HydrophobicContact CB-CG1 3.91Å; L18-I42 HydrophobicContact CD1-CG1 4.48Å
19K79.4Confident76Confident106 Ų10686.8 Ų86.846%0.46147%0.466SS..Hα-helixtrans-68.3-43.3173.3-75.6168-172.4174.50112L15 Q16 Q17 R22 L23 I42L15-K19 WeakPolarHBondContact O-CB 3.48Å; L15-K19 WeakPolarHBondContact O-CD 3.25Å; L15-K19 WeakPolarHBondContact O-CG 3.38Å; L15-K19 PolarHBondContact O-N 3.32Å; L15-K19 VanDerWaalsContact O-N 3.16Å; Q16-K19 PolarHBondContact O-N 3.39Å; Q17-K19 VanDerWaalsContact C-N 3.34Å; Q17-K19 PolarHBondContact O-N 2.89Å; K19-R22 PolarHBondContact O-N 3.39Å; K19-L23 PolarHBondContact O-N 2.98Å; K19-I42 HydrophobicContact CG-CD1 4.47Å
20S81.6Confident75.5Confident68 Ų6888.1 Ų88.148%0.47648%0.477SS..Hα-helixtrans-66-41.3175.754.80000111.3Q16 Q17 R22 L23 T24Q16-S20 PolarHBondContact O-N 2.97Å; Q16-S20 PolarHBondContact O-OG 2.96Å; Q17-S20 WeakPolarHBondContact CA-OG 3.47Å; Q17-S20 PolarHBondContact O-N 3.44Å; Q17-S20 PolarHBondContact O-OG 3.38Å; S20-R22 VanDerWaalsContact C-N 3.31Å; S20-R22 PolarHBondContact O-N 3.31Å; S20-L23 WeakPolarHBondContact O-CB 3.49Å; S20-L23 PolarHBondContact O-N 3.19Å; S20-T24 PolarHBondContact O-N 3.36Å
21F78.7Confident75.3Confident110 Ų11088.8 Ų88.848%0.48247%0.472SS..Hα-helixtrans-65.6-31.7176.5-166.3-104000113Q17 L23 T24 I25 I38Q17-F21 VanDerWaalsContact O-CB 3.3Å; Q17-F21 WeakPolarHBondContact O-CB 3.41Å; Q17-F21 PolarHBondContact O-N 3.16Å; F21-L23 VanDerWaalsContact C-N 3.28Å; F21-L23 PolarHBondContact O-N 2.93Å; F21-T24 WeakPolarHBondContact CA-OG1 3.44Å; F21-T24 PolarHBondContact O-N 2.95Å; F21-T24 PolarHBondContact O-OG1 2.97Å; F21-I25 HydrophobicContact CD1-CD1 4.15Å; F21-I25 HydrophobicContact CE1-CD1 4.04Å; F21-I25 WeakPolarHBondContact O-CG1 3.29Å; F21-I38 HydrophobicContact CD1-CD1 3.73Å; F21-I38 HydrophobicContact CE1-CD1 3.88Å
22R75.6Confident75.1Confident120 Ų12088.5 Ų88.545%0.45348%0.476SS..Hα-helixtrans-62.6-33170.6174.5178159.3174.7-8.8112.6L18 K19 S20 I38 N39L18-R22 WeakPolarHBondContact O-CB 3.31Å; L18-R22 PolarHBondContact O-N 3.06Å; K19-R22 PolarHBondContact O-N 3.39Å; S20-R22 VanDerWaalsContact C-N 3.31Å; S20-R22 PolarHBondContact O-N 3.31Å; R22-I38 HydrophobicContact CB-CG2 4.19Å; R22-N39 WeakPolarHBondContact CD-OD1 3.36Å; R22-N39 PolarHBondContact NH1-OD1 2.99Å
23L77.1Confident74.6Confident148 Ų14891 Ų9178%0.77549%0.49SS*.Hα-helixtrans-75.9-23.1179.9-66.5170.2000112.8K19 S20 F21K19-L23 PolarHBondContact O-N 2.98Å; S20-L23 WeakPolarHBondContact O-CB 3.49Å; S20-L23 PolarHBondContact O-N 3.19Å; F21-L23 VanDerWaalsContact C-N 3.28Å; F21-L23 PolarHBondContact O-N 2.93Å
24T80.1Confident74.1Confident102 Ų10291 Ų9163%0.62649%0.487SS*.THydrogen-bonded Turntrans-84.3-3.5178.350.40000114.4S20 F21S20-T24 PolarHBondContact O-N 3.36Å; F21-T24 WeakPolarHBondContact CA-OG1 3.44Å; F21-T24 PolarHBondContact O-N 2.95Å; F21-T24 PolarHBondContact O-OG1 2.97Å
25I73.6Confident73.9Confident16 Ų1690.1 Ų90.18%0.08248%0.478CS..SBendtrans-92.1121.3-177.1-67167.5000110.5F21 F31 L34 R35 I38F21-I25 HydrophobicContact CD1-CD1 4.15Å; F21-I25 HydrophobicContact CE1-CD1 4.04Å; F21-I25 WeakPolarHBondContact O-CG1 3.29Å; I25-F31 HydrophobicContact CG2-CB 3.64Å; I25-F31 HydrophobicContact CG2-CG 4.21Å; I25-L34 HydrophobicContact CD1-CD2 4.05Å; I25-L34 HydrophobicContact CD1-CG 4.23Å; I25-R35 PolarHBondContact O-NH2 3.38Å; I25-I38 HydrophobicContact CD1-CD1 3.27Å
26P73.7Confident73.8Confident64 Ų6494.6 Ų94.642%0.41650%0.502SS..  trans-54.1153177.7-27.135.3000114D28 F31 R35P26-D28 PolarHBondContact O-N 3.48Å; P26-F31 HydrophobicContact CB-CD2 4.29Å; P26-F31 HydrophobicContact CG-CD2 4.39Å; P26-F31 HydrophobicContact CG-CE2 4.28Å; P26-R35 VanDerWaalsContact C-NH2 3.27Å; P26-R35 PolarHBondContact O-NH2 3.46Å
27S69.2Low73.4Confident101 Ų10191 Ų9171%0.70649%0.493SS*.SBendtrans-68.2-10.4-178.2380000115.2
28D68.8Low73.1Confident95 Ų9586.2 Ų86.251%0.50847%0.471SS..SBendtrans-66.8150.1-169-53.7-36.8000114.1P26 V30 F31P26-D28 PolarHBondContact O-N 3.48Å; D28-V30 PolarHBondContact O-N 3.08Å; D28-V30 VanDerWaalsContact O-N 3.1Å; D28-F31 PolarHBondContact O-N 3.36Å; D28-F31 VanDerWaalsContact O-N 3.07Å
29S62.8Low72.9Confident108 Ų10886.6 Ų86.676%0.75547%0.473SS*.G310 helixtrans-55.9-29.6-177.753.10000113.8F31 A32S29-F31 PolarHBondContact O-N 3.14Å; S29-A32 WeakPolarHBondContact O-CB 3.48Å; S29-A32 PolarHBondContact O-N 3.44Å
30V65.2Low72.6Confident120 Ų12086.6 Ų86.673%0.72747%0.471SS*.G310 helixtrans-58.8-30178.5-174.60000112.5D28D28-V30 PolarHBondContact O-N 3.08Å; D28-V30 VanDerWaalsContact O-N 3.1Å
31F69.7Low72.2Confident82 Ų8286.8 Ų86.836%0.3647%0.469SS..G310 helixtrans-103.110.5-178.4-61.1-72.4000114.1I25 P26 D28 S29 L34 R35I25-F31 HydrophobicContact CG2-CB 3.64Å; I25-F31 HydrophobicContact CG2-CG 4.21Å; P26-F31 HydrophobicContact CB-CD2 4.29Å; P26-F31 HydrophobicContact CG-CD2 4.39Å; P26-F31 HydrophobicContact CG-CE2 4.28Å; D28-F31 PolarHBondContact O-N 3.36Å; D28-F31 VanDerWaalsContact O-N 3.07Å; S29-F31 PolarHBondContact O-N 3.14Å; F31-L34 HydrophobicContact CD1-CD2 4.26Å; F31-L34 PolarHBondContact O-N 2.69Å; F31-R35 WeakPolarHBondContact O-CB 3.42Å; F31-R35 PolarHBondContact O-N 3Å
32A69.4Low71.9Confident41 Ų4182.1 Ų82.134%0.33945%0.449SS..Hα-helixtrans-58.5-50.4-178.400000112.4S29 L34 R35 D36S29-A32 WeakPolarHBondContact O-CB 3.48Å; S29-A32 PolarHBondContact O-N 3.44Å; A32-L34 VanDerWaalsContact C-N 3.31Å; A32-L34 PolarHBondContact O-N 3.18Å; A32-R35 PolarHBondContact O-N 3.22Å; A32-R35 VanDerWaalsContact O-N 3.16Å; A32-D36 PolarHBondContact O-N 2.94Å
33E68.5Low71.9Confident164 Ų16480.9 Ų80.977%0.76645%0.451SS*.Hα-helixtrans-61.2-37.4-179.9-62.1-173.2162.400112.8S37E33-S37 WeakPolarHBondContact O-CB 3.39Å; E33-S37 PolarHBondContact O-N 3.16Å; E33-S37 PolarHBondContact O-OG 2.71Å
34L70.9Confident71.7Confident77 Ų7774.7 Ų74.740%0.40342%0.418SS..Hα-helixtrans-67.3-44.9176.3-177.266.5000111I25 F31 A32 D36 S37 I38I25-L34 HydrophobicContact CD1-CD2 4.05Å; I25-L34 HydrophobicContact CD1-CG 4.23Å; F31-L34 HydrophobicContact CD1-CD2 4.26Å; F31-L34 PolarHBondContact O-N 2.69Å; A32-L34 VanDerWaalsContact C-N 3.31Å; A32-L34 PolarHBondContact O-N 3.18Å; L34-D36 VanDerWaalsContact C-N 3.35Å; L34-S37 PolarHBondContact O-N 2.88Å; L34-I38 HydrophobicContact CD1-CD1 4.32Å; L34-I38 HydrophobicContact CG-CD1 4.04Å; L34-I38 WeakPolarHBondContact O-CD1 3.5Å; L34-I38 WeakPolarHBondContact O-CG1 3.21Å; L34-I38 PolarHBondContact O-N 3.48Å
35R72.3Confident71.2Confident62 Ų6270.6 Ų70.623%0.23439%0.394CS..Hα-helixtrans-63.1-40.8177179.6179.6-75.8144.80111.5I25 P26 F31 A32 I38 N39I25-R35 PolarHBondContact O-NH2 3.38Å; P26-R35 VanDerWaalsContact C-NH2 3.27Å; P26-R35 PolarHBondContact O-NH2 3.46Å; F31-R35 WeakPolarHBondContact O-CB 3.42Å; F31-R35 PolarHBondContact O-N 3Å; A32-R35 PolarHBondContact O-N 3.22Å; A32-R35 VanDerWaalsContact O-N 3.16Å; R35-I38 PolarHBondContact O-N 3.28Å; R35-N39 WeakPolarHBondContact O-CB 3.47Å; R35-N39 PolarHBondContact O-N 2.77Å; R35-N39 PolarHBondContact O-ND2 2.9Å
36D74.1Confident71.2Confident104 Ų10475 Ų7556%0.55641%0.412SS*.Hα-helixtrans-69.1-39.4177.9-74.3-17000112.1A32 L34 I38 N39 Y40A32-D36 PolarHBondContact O-N 2.94Å; L34-D36 VanDerWaalsContact C-N 3.35Å; D36-I38 PolarHBondContact O-N 3.38Å; D36-N39 PolarHBondContact O-N 2.91Å; D36-Y40 WeakPolarHBondContact O-CB 3.48Å; D36-Y40 PolarHBondContact O-N 3.34Å
37S72.6Confident71.1Confident71 Ų7176.3 Ų76.350%0.49741%0.411SS..Hα-helixtrans-58.9-45.6171.7-60.50000111.8E33 L34 Y40 V41E33-S37 WeakPolarHBondContact O-CB 3.39Å; E33-S37 PolarHBondContact O-N 3.16Å; E33-S37 PolarHBondContact O-OG 2.71Å; L34-S37 PolarHBondContact O-N 2.88Å; S37-Y40 WeakPolarHBondContact O-CB 3.27Å; S37-Y40 PolarHBondContact O-N 3.38Å; S37-V41 WeakPolarHBondContact O-CG2 3.47Å; S37-V41 PolarHBondContact O-N 3.28Å; S37-V41 VanDerWaalsContact O-N 3.07Å
38I75Confident70.8Confident14 Ų1474.3 Ų74.37%0.07240%0.397CS..Hα-helixtrans-66.7-41.7176.8-67.9158.9000111.3F21 R22 I25 L34 R35 D36 Y40 V41 I42F21-I38 HydrophobicContact CD1-CD1 3.73Å; F21-I38 HydrophobicContact CE1-CD1 3.88Å; R22-I38 HydrophobicContact CB-CG2 4.19Å; I25-I38 HydrophobicContact CD1-CD1 3.27Å; L34-I38 HydrophobicContact CD1-CD1 4.32Å; L34-I38 HydrophobicContact CG-CD1 4.04Å; L34-I38 WeakPolarHBondContact O-CD1 3.5Å; L34-I38 WeakPolarHBondContact O-CG1 3.21Å; L34-I38 PolarHBondContact O-N 3.48Å; R35-I38 PolarHBondContact O-N 3.28Å; D36-I38 PolarHBondContact O-N 3.38Å; I38-Y40 VanDerWaalsContact C-N 3.3Å; I38-Y40 PolarHBondContact O-N 3.44Å; I38-V41 PolarHBondContact O-N 3.07Å; I38-I42 HydrophobicContact CG2-CD1 3.78Å; I38-I42 HydrophobicContact CG2-CG1 4.39Å; I38-I42 VanDerWaalsContact O-CG1 3.32Å; I38-I42 WeakPolarHBondContact O-CG1 3.17Å; I38-I42 PolarHBondContact O-N 3.11Å
39N73.3Confident70.7Confident45 Ų4571.3 Ų71.324%0.24138%0.381CS..Hα-helixtrans-60-40.4175.3-77.2-31.1000111.9R22 R35 D36 I42 L43R22-N39 WeakPolarHBondContact CD-OD1 3.36Å; R22-N39 PolarHBondContact NH1-OD1 2.99Å; R35-N39 WeakPolarHBondContact O-CB 3.47Å; R35-N39 PolarHBondContact O-N 2.77Å; R35-N39 PolarHBondContact O-ND2 2.9Å; D36-N39 PolarHBondContact O-N 2.91Å; N39-I42 PolarHBondContact O-N 2.89Å; N39-L43 WeakPolarHBondContact O-CB 3.46Å; N39-L43 PolarHBondContact O-N 3.39Å
40Y72.7Confident70.7Confident106 Ų10674.2 Ų74.242%0.41638%0.38SS..Hα-helixtrans-61.6-49.8174.7-176.5-90.6000111.2D36 S37 I38 I42 L43 Q44 F79D36-Y40 WeakPolarHBondContact O-CB 3.48Å; D36-Y40 PolarHBondContact O-N 3.34Å; S37-Y40 WeakPolarHBondContact O-CB 3.27Å; S37-Y40 PolarHBondContact O-N 3.38Å; I38-Y40 VanDerWaalsContact C-N 3.3Å; I38-Y40 PolarHBondContact O-N 3.44Å; Y40-I42 VanDerWaalsContact C-N 3.33Å; Y40-I42 PolarHBondContact O-N 2.9Å; Y40-L43 WeakPolarHBondContact O-CB 3.25Å; Y40-L43 PolarHBondContact O-N 2.93Å; Y40-L43 VanDerWaalsContact O-N 3.11Å; Y40-Q44 HydrophobicContact CD1-CG 4.03Å; Y40-Q44 HydrophobicContact CE1-CG 3.74Å; Y40-Q44 HydrophobicContact CE2-CG 4.4Å; Y40-Q44 HydrophobicContact CG-CG 4.47Å; Y40-Q44 VanDerWaalsContact O-CG 3.31Å; Y40-Q44 WeakPolarHBondContact O-CG 3.44Å; Y40-Q44 PolarHBondContact O-N 3.48Å; Y40-Q44 PolarHBondContact OH-NE2 3.32Å; Y40-Q44 VanDerWaalsContact OH-NE2 3.08Å; Y40-F79 HydrophobicContact CE1-CE2 4.07Å; Y40-F79 WeakPolarHBondContact OH-CD2 3.45Å; Y40-F79 WeakPolarHBondContact OH-CE2 3.41Å
41V72.7Confident70.2Confident73 Ų7374.8 Ų74.844%0.44237%0.373SS..Hα-helixtrans-60.6-41.1177.6178.40000111.7L18 S37 I38 Q44 S45L18-V41 HydrophobicContact CD1-CB 4.45Å; L18-V41 HydrophobicContact CD1-CG1 3.59Å; S37-V41 WeakPolarHBondContact O-CG2 3.47Å; S37-V41 PolarHBondContact O-N 3.28Å; S37-V41 VanDerWaalsContact O-N 3.07Å; I38-V41 PolarHBondContact O-N 3.07Å; V41-Q44 PolarHBondContact O-N 2.9Å; V41-S45 WeakPolarHBondContact O-CB 3.43Å; V41-S45 PolarHBondContact O-N 3Å; V41-S45 PolarHBondContact O-OG 3.26Å
42I73.2Confident69.3Low12 Ų1272.7 Ų72.76%0.06237%0.367CS..Hα-helixtrans-64.2-39.3174.6-68.8169.7000111.6L15 L18 K19 I38 N39 Y40 S45 K46L15-I42 HydrophobicContact CD2-CB 4.3Å; L15-I42 HydrophobicContact CD2-CG1 4.28Å; L15-I42 HydrophobicContact CD2-CG2 3.97Å; L18-I42 HydrophobicContact CB-CD1 4.15Å; L18-I42 HydrophobicContact CB-CG1 3.91Å; L18-I42 HydrophobicContact CD1-CG1 4.48Å; K19-I42 HydrophobicContact CG-CD1 4.47Å; I38-I42 HydrophobicContact CG2-CD1 3.78Å; I38-I42 HydrophobicContact CG2-CG1 4.39Å; I38-I42 VanDerWaalsContact O-CG1 3.32Å; I38-I42 WeakPolarHBondContact O-CG1 3.17Å; I38-I42 PolarHBondContact O-N 3.11Å; N39-I42 PolarHBondContact O-N 2.89Å; Y40-I42 VanDerWaalsContact C-N 3.33Å; Y40-I42 PolarHBondContact O-N 2.9Å; I42-S45 WeakPolarHBondContact CA-OG 3.47Å; I42-S45 PolarHBondContact O-OG 3.33Å; I42-K46 HydrophobicContact CG2-CD 4.29Å; I42-K46 WeakPolarHBondContact O-CB 3.3Å; I42-K46 VanDerWaalsContact O-CG 3.25Å; I42-K46 WeakPolarHBondContact O-CG 3.47Å; I42-K46 PolarHBondContact O-N 3.42Å
43L75.6Confident68.4Low94 Ų9475.6 Ų75.649%0.49238%0.377SS..Hα-helixtrans-65.1-45.9177.8-171.680.7000111N39 Y40 K46 K47N39-L43 WeakPolarHBondContact O-CB 3.46Å; N39-L43 PolarHBondContact O-N 3.39Å; Y40-L43 WeakPolarHBondContact O-CB 3.25Å; Y40-L43 PolarHBondContact O-N 2.93Å; Y40-L43 VanDerWaalsContact O-N 3.11Å; L43-K46 WeakPolarHBondContact O-CB 3.47Å; L43-K46 PolarHBondContact O-N 3.35Å; L43-K47 PolarHBondContact O-N 3.29Å; L43-K47 VanDerWaalsContact O-N 3.08Å
44Q71.6Confident67.1Low17 Ų1775.5 Ų75.58%0.07938%0.381CS..Hα-helixtrans-72.9-42.5-175.3-61.3-66.730.600112.3Y40 V41 K46 K47 C48 F79Y40-Q44 HydrophobicContact CD1-CG 4.03Å; Y40-Q44 HydrophobicContact CE1-CG 3.74Å; Y40-Q44 HydrophobicContact CE2-CG 4.4Å; Y40-Q44 HydrophobicContact CG-CG 4.47Å; Y40-Q44 VanDerWaalsContact O-CG 3.31Å; Y40-Q44 WeakPolarHBondContact O-CG 3.44Å; Y40-Q44 PolarHBondContact O-N 3.48Å; Y40-Q44 PolarHBondContact OH-NE2 3.32Å; Y40-Q44 VanDerWaalsContact OH-NE2 3.08Å; V41-Q44 PolarHBondContact O-N 2.9Å; Q44-K46 VanDerWaalsContact C-N 3.29Å; Q44-K46 PolarHBondContact O-N 2.86Å; Q44-K47 WeakPolarHBondContact O-CA 3.41Å; Q44-K47 WeakPolarHBondContact O-CB 3.32Å; Q44-K47 PolarHBondContact O-N 2.87Å; Q44-C48 PolarHBondContact O-N 3.39Å; Q44-C48 PolarHBondContact O-SG 3.4Å; Q44-C48 VanDerWaalsContact O-SG 3.36Å; Q44-F79 HydrophobicContact CB-CE1 3.89Å; Q44-F79 HydrophobicContact CB-CE2 4.07Å; Q44-F79 HydrophobicContact CB-CZ 3.37Å; Q44-F79 VanDerWaalsContact CD-CZ 3.44Å; Q44-F79 HydrophobicContact CG-CD2 4.39Å; Q44-F79 HydrophobicContact CG-CE1 4.11Å; Q44-F79 HydrophobicContact CG-CE2 3.52Å; Q44-F79 HydrophobicContact CG-CZ 3.37Å
45S70.8Confident65.8Low17 Ų1773.9 Ų73.912%0.11938%0.377CS..Hα-helixtrans-60.7-36.3172.849.70000112.6L15 V41 I42 C48 L49L15-S45 WeakPolarHBondContact CD2-OG 3.34Å; L15-S45 WeakPolarHBondContact CG-OG 3.44Å; V41-S45 WeakPolarHBondContact O-CB 3.43Å; V41-S45 PolarHBondContact O-N 3Å; V41-S45 PolarHBondContact O-OG 3.26Å; I42-S45 WeakPolarHBondContact CA-OG 3.47Å; I42-S45 PolarHBondContact O-OG 3.33Å; S45-C48 PolarHBondContact O-N 2.96Å; S45-L49 PolarHBondContact O-N 3.36Å; S45-L49 VanDerWaalsContact O-N 3.12Å
46K73.4Confident64.2Low107 Ų10776.5 Ų76.547%0.46539%0.394SS..Hα-helixtrans-63.7-33.6168.9-79.1176.8178-176.80113.7L15 I42 L43 Q44 K50L15-K46 HydrophobicContact CD1-CG 4.48Å; L15-K46 HydrophobicContact CD2-CG 4.48Å; I42-K46 HydrophobicContact CG2-CD 4.29Å; I42-K46 WeakPolarHBondContact O-CB 3.3Å; I42-K46 VanDerWaalsContact O-CG 3.25Å; I42-K46 WeakPolarHBondContact O-CG 3.47Å; I42-K46 PolarHBondContact O-N 3.42Å; L43-K46 WeakPolarHBondContact O-CB 3.47Å; L43-K46 PolarHBondContact O-N 3.35Å; Q44-K46 VanDerWaalsContact C-N 3.29Å; Q44-K46 PolarHBondContact O-N 2.86Å; K46-K50 PolarHBondContact O-N 3.37Å
47K71.9Confident62.7Low92 Ų9278.2 Ų78.240%0.441%0.408SS..Hα-helixtrans-68.9-44.7173.7-69.7-176.7-161.7159.20110.8L43 Q44 L49 K50 F51L43-K47 PolarHBondContact O-N 3.29Å; L43-K47 VanDerWaalsContact O-N 3.08Å; Q44-K47 WeakPolarHBondContact O-CA 3.41Å; Q44-K47 WeakPolarHBondContact O-CB 3.32Å; Q44-K47 PolarHBondContact O-N 2.87Å; K47-L49 VanDerWaalsContact C-N 3.28Å; K47-L49 PolarHBondContact O-N 3.47Å; K47-K50 WeakPolarHBondContact O-CA 3.44Å; K47-K50 WeakPolarHBondContact O-CB 3.39Å; K47-K50 PolarHBondContact O-N 3.05Å; K47-F51 VanDerWaalsContact O-CD2 3.28Å; K47-F51 WeakPolarHBondContact O-CD2 3.37Å; K47-F51 PolarHBondContact O-N 3.35Å
48C62.8Low60.9Low59 Ų5982 Ų8240%0.39942%0.416SS..Hα-helixtrans-55.1-44.7176-60.90000111.6Q44 S45 K50 F51 T52Q44-C48 PolarHBondContact O-N 3.39Å; Q44-C48 PolarHBondContact O-SG 3.4Å; Q44-C48 VanDerWaalsContact O-SG 3.36Å; S45-C48 PolarHBondContact O-N 2.96Å; C48-K50 PolarHBondContact O-N 3.19Å; C48-F51 PolarHBondContact O-N 3.13Å; C48-T52 PolarHBondContact O-N 3.01Å
49L65.5Low58.8Low33 Ų3384.4 Ų84.417%0.17343%0.433CS..Hα-helixtrans-68.4-10.9173.9-83.1157.4000115.4L15 S45 K47 T52L15-L49 HydrophobicContact CD1-CD1 3.38Å; S45-L49 PolarHBondContact O-N 3.36Å; S45-L49 VanDerWaalsContact O-N 3.12Å; K47-L49 VanDerWaalsContact C-N 3.28Å; K47-L49 PolarHBondContact O-N 3.47Å; L49-T52 PolarHBondContact O-OG1 3.44Å; L49-T52 VanDerWaalsContact O-OG1 3.06Å
50K63.1Low56.9Low169 Ų16989.9 Ų89.974%0.73546%0.455SS*.Hα-helixtrans-92.7-29.3170.2-78.9-171.9171.4-166.60112.6K46 K47 C48K46-K50 PolarHBondContact O-N 3.37Å; K47-K50 WeakPolarHBondContact O-CA 3.44Å; K47-K50 WeakPolarHBondContact O-CB 3.39Å; K47-K50 PolarHBondContact O-N 3.05Å; C48-K50 PolarHBondContact O-N 3.19Å
51F55.2Low54.9Low131 Ų13195.4 Ų95.458%0.57548%0.475SS*.Hα-helixtrans-76.7-21.8177.9-81.3-72000113.3K47 C48 D53K47-F51 VanDerWaalsContact O-CD2 3.28Å; K47-F51 WeakPolarHBondContact O-CD2 3.37Å; K47-F51 PolarHBondContact O-N 3.35Å; C48-F51 PolarHBondContact O-N 3.13Å; F51-D53 VanDerWaalsContact C-N 3.31Å; F51-D53 PolarHBondContact O-N 2.85Å
52T51Low53.1Low39 Ų3997.9 Ų97.924%0.23948%0.481CS..Hα-helixtrans-61.4-37.7173.743.10000112.8R4 E8 C48 L49R4-T52 PolarHBondContact NH2-O 3.14Å; E8-T52 HydrophobicContact CG-CG2 4.47Å; C48-T52 PolarHBondContact O-N 3.01Å; L49-T52 PolarHBondContact O-OG1 3.44Å; L49-T52 VanDerWaalsContact O-OG1 3.06Å
53D50.1Low51.1Low102 Ų102104 Ų10455%0.54551%0.513SS..Hα-helixtrans-89.6-26.3-154.1-68.88.5000115.3F51F51-D53 VanDerWaalsContact C-N 3.31Å; F51-D53 PolarHBondContact O-N 2.85Å
54N41.4Very low49.1Very low162 Ų162104.2 Ų104.287%0.86652%0.522SS*.Hα-helixtrans-152.40.3-170.5-91-57.3000119.6
55S44.4Very low47Very low43 Ų43108.3 Ų108.330%0.30155%0.548SS..  trans-116.1-20.6-166.345.50000117.6V57 K58S55-V57 VanDerWaalsContact C-N 3.3Å; S55-V57 PolarHBondContact O-N 3.11Å; S55-K58 PolarHBondContact O-N 3.21Å
56L38.5Very low44.9Very low116 Ų116113.8 Ų113.861%0.60758%0.584SS**THydrogen-bonded Turntrans-71.4-13.7-171-98.8154000116.2
57V42.3Very low42.7Very low140 Ų140114.3 Ų114.385%0.84860%0.6SS**THydrogen-bonded Turntrans-78.6-25.8176179.70000111.9S55S55-V57 VanDerWaalsContact C-N 3.3Å; S55-V57 PolarHBondContact O-N 3.11Å
58K35.4Very low40.6Very low152 Ų152114.3 Ų114.366%0.66161%0.611SS**THydrogen-bonded Turntrans-84.4-40.5-176.1-147.9176.2-178.4-173.40112.7S55 K60 R61S55-K58 PolarHBondContact O-N 3.21Å; K58-K60 PolarHBondContact O-N 3.43Å; K58-K60 VanDerWaalsContact O-N 3.1Å; K58-R61 PolarHBondContact O-N 3.33Å
59C30.8Very low38.9Very low63 Ų63118 Ų11843%0.42663%0.627SS.*G310 helixtrans-61.5-21.8-178.5-59.40000114.4R61 I63C59-R61 PolarHBondContact O-N 2.7Å; C59-I63 WeakPolarHBondContact O-CD1 3.44Å; C59-I63 WeakPolarHBondContact O-CG1 3.43Å
60K31.9Very low37.4Very low161 Ų161124.5 Ų124.570%0.766%0.66SS**G310 helixtrans-70.2-6.9178.7-96.7-167.2171.8-167.80115.5K58K58-K60 PolarHBondContact O-N 3.43Å; K58-K60 VanDerWaalsContact O-N 3.1Å
61R32.1Very low35.7Very low221 Ų221124.9 Ų124.983%0.83467%0.67SS**G310 helixtrans-110.7-14.3177-76.1-177.5172.8163.8-2115.1K58 C59K58-R61 PolarHBondContact O-N 3.33Å; C59-R61 PolarHBondContact O-N 2.7Å
62E33.4Very low34.5Very low125 Ų125123.6 Ų123.658%0.58468%0.677SS**THydrogen-bonded Turntrans-102.9-4.8-170.8-69169.8-176.200113.7S64E62-S64 VanDerWaalsContact C-N 3.31Å; E62-S64 PolarHBondContact O-N 3.2Å
63I33Very low33.5Very low142 Ų142127.1 Ų127.173%0.72870%0.701SS**THydrogen-bonded Turntrans-85.30.9-177.4-62.7168.4000112.5C59C59-I63 WeakPolarHBondContact O-CD1 3.44Å; C59-I63 WeakPolarHBondContact O-CG1 3.43Å
64S31.9Very low32.7Very low98 Ų98131.3 Ų131.369%0.68572%0.717SS**THydrogen-bonded Turntrans-89.52.2-172.5540000116.3E62E62-S64 VanDerWaalsContact C-N 3.31Å; E62-S64 PolarHBondContact O-N 3.2Å
65T28.8Very low32.2Very low102 Ų102131.1 Ų131.163%0.62671%0.714SS**  trans-129.7117.4-17952.60000112.3C67T65-C67 PolarHBondContact O-N 2.96Å
66P25.6Very low31.6Very low132 Ų132134.1 Ų134.186%0.85773%0.732SS**  trans-84.5107.4176.332.5-30.7000110.5
67C27.8Very low31.2Very low119 Ų119138.2 Ų138.280%0.80475%0.745SS**  trans-107.1129.1167.9-72.60000110.7T65T65-C67 PolarHBondContact O-N 2.96Å
68S28.1Very low30.8Very low91 Ų91137 Ų13764%0.63673%0.734SS**  trans-63.9174.5160.549.90000111.2
69D26.7Very low30.6Very low138 Ų138134.7 Ų134.774%0.73872%0.724SS**  trans73.396.8162.8-42.5-51000116.2
70I33.1Very low30.6Very low169 Ų169137.7 Ų137.787%0.86775%0.745SS**  trans-167.4110134.5-90.2142.4000107.6
71D28.3Very low30.6Very low176 Ų176135.3 Ų135.394%0.94175%0.748SS**  trans-78.4112.9165.5-86.6-49.9000109.7
72S30.4Very low30.4Very low104 Ų104131.8 Ų131.873%0.72775%0.745SS**  trans-157.4130.1157.5-162.50000112.3
73P30.1Very low30.3Very low113 Ų113135.4 Ų135.473%0.73476%0.755SS**  trans-9898.3-167.335.7-32.7000113.3
74H32.1Very low30.1Very low191 Ų191135.6 Ų135.688%0.88476%0.757SS**  trans-170.973.7154.8-93.9-45.1000113.8
75I30.9Very low29.9Very low158 Ų158135.7 Ų135.781%0.8176%0.755SS**  trans-138.1116162.9-52.8179.8000109.5
76P33.1Very low30.1Very low105 Ų105137.4 Ų137.468%0.68276%0.756SS**  trans-65.3137.8173.5-20.833.5000111.8D78P76-D78 VanDerWaalsContact C-N 3.27Å; P76-D78 PolarHBondContact O-N 2.92Å; P76-D78 VanDerWaalsContact O-N 3.14Å
77K29.7Very low30.1Very low202 Ų202137.3 Ų137.388%0.87875%0.748SS**SBendtrans-77.43.6-163.5-71.2-177.7174.4178.60116.3
78D33Very low30.2Very low114 Ų114139.7 Ų139.761%0.6175%0.747SS**SBendtrans-108.624.4-159.1-51.8-45.3000115P76P76-D78 VanDerWaalsContact C-N 3.27Å; P76-D78 PolarHBondContact O-N 2.92Å; P76-D78 VanDerWaalsContact O-N 3.14Å
79F31.5Very low30.2Very low104 Ų104143.7 Ų143.746%0.45675%0.753SS.*SBendtrans-130.612.9-169.6-115-91000118.3Y40 Q44Y40-F79 HydrophobicContact CE1-CE2 4.07Å; Y40-F79 WeakPolarHBondContact OH-CD2 3.45Å; Y40-F79 WeakPolarHBondContact OH-CE2 3.41Å; Q44-F79 HydrophobicContact CB-CE1 3.89Å; Q44-F79 HydrophobicContact CB-CE2 4.07Å; Q44-F79 HydrophobicContact CB-CZ 3.37Å; Q44-F79 VanDerWaalsContact CD-CZ 3.44Å; Q44-F79 HydrophobicContact CG-CD2 4.39Å; Q44-F79 HydrophobicContact CG-CE1 4.11Å; Q44-F79 HydrophobicContact CG-CE2 3.52Å; Q44-F79 HydrophobicContact CG-CZ 3.37Å
80C31Very low30.3Very low127 Ų127146.9 Ų146.986%0.85876%0.756SS**SBendtrans-121.56.7-174.1-65.80000116
81S32Very low30.1Very low110 Ų110145.4 Ų145.477%0.76976%0.755SS**SBendtrans-98.314.5-176.246.10000115
82L28.7Very low30.3Very low148 Ų148140.5 Ų140.578%0.77575%0.747SS**SBendtrans-124118.9172.7-83162.6000109.4
83Y30.7Very low30.5Very low200 Ų200140.2 Ų140.278%0.78474%0.736SS**  trans63.2105.3-176.1-62.9-94.8000116
84L29.1Very low31.2Very low146 Ų146138.4 Ų138.476%0.76472%0.72SS**  -167116.9122.1-101.5159.2000108.7
85P28.2Very low32.1Very low101 Ų101129.9 Ų129.966%0.65668%0.682SS**  trans-75.1141.3162.333.1-30.9000108
86H31.6Very low32.9Very low138 Ų138125.8 Ų125.864%0.63966%0.659SS**  trans-161.4136.6134.3-100.6-55.3000110.9
87D26.6Very low33.5Very low129 Ų129126 Ų12669%0.6966%0.655SS**  trans-49.7133.4174.9-41.8-82000111.5
88H29.5Very low34.4Very low169 Ų169118.2 Ų118.278%0.78262%0.622SS**  trans179.7125.4131.6-91-50.8000110.5
89F28.7Very low35.2Very low175 Ų175117.6 Ų117.677%0.76862%0.619SS**SBendtrans49.873.8162.3-65.3-84.5000118.7
90Y28.9Very low36.2Very low205 Ų205114.3 Ų114.380%0.80461%0.614SS**  -162.673.5129-96.6-64.5000109.2G92 L93Y90-G92 PolarHBondContact O-N 3.27Å; Y90-L93 HydrophobicContact CD1-CD1 4.42Å; Y90-L93 HydrophobicContact CE1-CD1 4.48Å
91T28.2Very low37.2Very low138 Ų138115.2 Ų115.285%0.84760%0.604SS**  trans-75117.717445.40000110.5
92G32.9Very low38.3Very low74 Ų74113.1 Ų113.176%0.76358%0.584SS**SBendtrans103.8-21.4155.100000118.7Y90 L94Y90-G92 PolarHBondContact O-N 3.27Å; G92-L94 PolarHBondContact O-N 3.47Å
93L33.2Very low39.7Very low97 Ų97106.4 Ų106.451%0.50855%0.548SS..  trans-81.5113.6-174.8-72.6166.3000112.6Y90 D97 L98Y90-L93 HydrophobicContact CD1-CD1 4.42Å; Y90-L93 HydrophobicContact CE1-CD1 4.48Å; L93-D97 HydrophobicContact CD2-CB 3.9Å; L93-L98 HydrophobicContact CD1-CD2 4.5Å
94L44.9Very low40.9Very low76 Ų76103.9 Ų103.940%0.39854%0.542SS..  trans-82.7151.3168.1-70.5169.7000109.3G92 E96 D97 L118G92-L94 PolarHBondContact O-N 3.47Å; L94-E96 PolarHBondContact O-N 2.85Å; L94-D97 PolarHBondContact O-N 3.28Å; L94-L118 HydrophobicContact CD2-CD2 4.2Å
95P50.8Low42.4Very low11 Ų11104.4 Ų104.47%0.07154%0.538CS..THydrogen-bonded Turntrans-65.31.7-179.8-26.538.1000116.5I103 I114 L118 Y138 W142P95-I103 HydrophobicContact CB-CD1 4.22Å; P95-I114 HydrophobicContact CG-CG2 3.68Å; P95-L118 HydrophobicContact CG-CD1 4.17Å; P95-Y138 HydrophobicContact CB-CE1 4.3Å; P95-W142 HydrophobicContact CB-CZ3 4.28Å
96E48.5Very low44.2Very low73 Ų73102 Ų10234%0.34152%0.519SS..THydrogen-bonded Turntrans-79.1-25.7169.4-83.2147-115.400112.2L94 R129 S130 Y138L94-E96 PolarHBondContact O-N 2.85Å; E96-R129 IonicContact OE1-CZ 3.13Å; E96-R129 IonicContact OE1-NE 2.7Å; E96-R129 PolarHBondContact OE1-NE 2.97Å; E96-R129 IonicContact OE1-NH2 2.7Å; E96-R129 PolarHBondContact OE1-NH2 2.9Å; E96-S130 PolarHBondContact OE2-OG 3.4Å; E96-Y138 PolarHBondContact OE1-OH 2.89Å
97D45Very low46Very low110 Ų110101.7 Ų101.759%0.58852%0.518SS*.THydrogen-bonded Turntrans-89.5-16.4173.4-52.1-54.3000112.4L93 L94 D99L93-D97 HydrophobicContact CD2-CB 3.9Å; L94-D97 PolarHBondContact O-N 3.28Å; D97-D99 PolarHBondContact O-N 3.45Å
98L49.8Very low48.2Very low38 Ų3899.7 Ų99.720%0.19951%0.507CS..SBendtrans-86.296.5178.6-67.3175.3000110.1L93 G100 I103L93-L98 HydrophobicContact CD1-CD2 4.5Å; L98-G100 PolarHBondContact O-N 3.27Å; L98-I103 HydrophobicContact CB-CD1 3.76Å; L98-I103 HydrophobicContact CB-CG1 3.67Å; L98-I103 HydrophobicContact CD1-CD1 4.45Å; L98-I103 HydrophobicContact CD1-CG1 4.1Å
99D50.1Low50.3Low101 Ų101101 Ų10154%0.5451%0.505SS..  trans-44.9137.1168.3-129.311.1000109.9D97 K101 D102D97-D99 PolarHBondContact O-N 3.45Å; D99-K101 PolarHBondContact O-N 2.88Å; D99-D102 PolarHBondContact O-N 3.34Å
100G51.3Low52.6Low34 Ų3496.5 Ų96.535%0.35149%0.487SS..THydrogen-bonded Turntrans-63.67.3-177.400000115.4L98 K104L98-G100 PolarHBondContact O-N 3.27Å; G100-K104 VanDerWaalsContact O-CD 3.24Å; G100-K104 WeakPolarHBondContact O-CD 3.44Å; G100-K104 VanDerWaalsContact O-CE 3.23Å; G100-K104 WeakPolarHBondContact O-CE 3.23Å; G100-K104 VanDerWaalsContact O-CG 3.3Å; G100-K104 WeakPolarHBondContact O-CG 3.38Å
101K51.9Low54.8Low147 Ų14787.5 Ų87.564%0.63945%0.452SS*.THydrogen-bonded Turntrans-88.9-33.5167.5-67173.6-177.9164.70112.4D99D99-K101 PolarHBondContact O-N 2.88Å
102D55.1Low57.4Low65 Ų6582 Ų8235%0.34842%0.417SS..THydrogen-bonded Turntrans-84.2-39.7-176.6-65.5-45.7000111.4D99 K104 K105D99-D102 PolarHBondContact O-N 3.34Å; D102-K104 PolarHBondContact O-N 2.96Å; D102-K105 WeakPolarHBondContact O-CB 3.49Å; D102-K105 PolarHBondContact O-N 3.35Å; D102-K105 IonicContact OD1-NZ 2.7Å; D102-K105 PolarHBondContact OD1-NZ 3.21Å
103I57.8Low59.6Low7 Ų783.5 Ų83.54%0.03641%0.405CS..G310 helixtrans-61-29.6172.6-56.9175.3000111.6P95 L98 K105 L106 I111 W142P95-I103 HydrophobicContact CB-CD1 4.22Å; L98-I103 HydrophobicContact CB-CD1 3.76Å; L98-I103 HydrophobicContact CB-CG1 3.67Å; L98-I103 HydrophobicContact CD1-CD1 4.45Å; L98-I103 HydrophobicContact CD1-CG1 4.1Å; I103-K105 PolarHBondContact O-N 3.16Å; I103-L106 WeakPolarHBondContact O-CB 3.41Å; I103-L106 PolarHBondContact O-N 3.28Å; I103-I111 HydrophobicContact CG2-CD1 4.16Å; I103-I111 HydrophobicContact CG2-CG1 4.18Å; I103-W142 HydrophobicContact CD1-CD2 4.15Å; I103-W142 HydrophobicContact CD1-CE3 3.9Å; I103-W142 HydrophobicContact CD1-CH2 3.29Å; I103-W142 HydrophobicContact CD1-CZ2 3.55Å; I103-W142 HydrophobicContact CD1-CZ3 3.44Å; I103-W142 VanDerWaalsContact CD1-CZ3 3.44Å; I103-W142 HydrophobicContact CG2-CB 4.45Å; I103-W142 HydrophobicContact CG2-CD2 3.78Å; I103-W142 HydrophobicContact CG2-CE3 4.26Å; I103-W142 HydrophobicContact CG2-CG 3.82Å
104K57.7Low61.5Low148 Ų14881.3 Ų81.364%0.64339%0.393SS*.G310 helixtrans-68.6-14.7174.7-77.5176.5-172.1167.40114.8G100 D102G100-K104 VanDerWaalsContact O-CD 3.24Å; G100-K104 WeakPolarHBondContact O-CD 3.44Å; G100-K104 VanDerWaalsContact O-CE 3.23Å; G100-K104 WeakPolarHBondContact O-CE 3.23Å; G100-K104 VanDerWaalsContact O-CG 3.3Å; G100-K104 WeakPolarHBondContact O-CG 3.38Å; D102-K104 PolarHBondContact O-N 2.96Å
105K60.5Low63.1Low156 Ų15677.9 Ų77.968%0.67838%0.375SS*.G310 helixtrans-87.3-21.2175.3-60.2169-1741600111.7D102 I103D102-K105 WeakPolarHBondContact O-CB 3.49Å; D102-K105 PolarHBondContact O-N 3.35Å; D102-K105 IonicContact OD1-NZ 2.7Å; D102-K105 PolarHBondContact OD1-NZ 3.21Å; I103-K105 PolarHBondContact O-N 3.16Å
106L64.9Low64.5Low50 Ų5080.2 Ų80.226%0.26238%0.384SS..SBendtrans-73.4147.8179.8-58.2179.3000110.7I103 E110 I111 I114I103-L106 WeakPolarHBondContact O-CB 3.41Å; I103-L106 PolarHBondContact O-N 3.28Å; L106-E110 VanDerWaalsContact CA-OE2 3.25Å; L106-E110 WeakPolarHBondContact CA-OE2 3.38Å; L106-E110 HydrophobicContact CB-CB 4.25Å; L106-I111 HydrophobicContact CB-CD1 4.39Å; L106-I111 HydrophobicContact CB-CG1 3.95Å; L106-I114 HydrophobicContact CD1-CD1 3.82Å
107Q69.7Low65.8Low133 Ų13382.5 Ų82.562%0.62139%0.393SS*.  trans-75151.7172.2-57.7-170.98.600110.5R109 E110 I111Q107-R109 PolarHBondContact O-N 2.98Å; Q107-E110 HydrophobicContact CB-CG 4.41Å; Q107-E110 PolarHBondContact N-OE2 3.14Å; Q107-E110 PolarHBondContact O-N 3.44Å; Q107-I111 PolarHBondContact O-N 3.42Å; Q107-I111 VanDerWaalsContact O-N 3.14Å
108D72.9Confident67.1Low86 Ų8677.7 Ų77.746%0.4637%0.367SS..Hα-helixtrans-49-34176.9-77.5-8.6000112.7D112D108-D112 WeakPolarHBondContact O-CB 3.3Å; D108-D112 PolarHBondContact O-N 2.92Å
109R74.5Confident68.3Low196 Ų19677 Ų7774%0.7436%0.363SS*.Hα-helixtrans-65.8-43.6176.4-68.7-174.6178.8-175.41.5113.6Q107 I111 D112 E113Q107-R109 PolarHBondContact O-N 2.98Å; R109-I111 VanDerWaalsContact C-N 3.33Å; R109-D112 PolarHBondContact O-N 3.26Å; R109-E113 WeakPolarHBondContact O-CG 3.18Å; R109-E113 PolarHBondContact O-N 2.96Å
110E75.8Confident69.3Low82 Ų8277.7 Ų77.738%0.38336%0.363SS..Hα-helixtrans-67.7-39.5-179.6-61.4170.114200109.9L106 Q107 E113 I114L106-E110 VanDerWaalsContact CA-OE2 3.25Å; L106-E110 WeakPolarHBondContact CA-OE2 3.38Å; L106-E110 HydrophobicContact CB-CB 4.25Å; Q107-E110 HydrophobicContact CB-CG 4.41Å; Q107-E110 PolarHBondContact N-OE2 3.14Å; Q107-E110 PolarHBondContact O-N 3.44Å; E110-E113 PolarHBondContact O-N 2.56Å; E110-I114 WeakPolarHBondContact O-CD1 3.17Å; E110-I114 VanDerWaalsContact O-CG1 3.23Å; E110-I114 WeakPolarHBondContact O-CG1 3.36Å; E110-I114 PolarHBondContact O-N 3.31Å
111I76.5Confident70Confident15 Ų1579 Ų798%0.07736%0.362CS..Hα-helixtrans-60.5-49.9172.5-63172000110.3I103 L106 Q107 R109 E113 I114 V115 W142I103-I111 HydrophobicContact CG2-CD1 4.16Å; I103-I111 HydrophobicContact CG2-CG1 4.18Å; L106-I111 HydrophobicContact CB-CD1 4.39Å; L106-I111 HydrophobicContact CB-CG1 3.95Å; Q107-I111 PolarHBondContact O-N 3.42Å; Q107-I111 VanDerWaalsContact O-N 3.14Å; R109-I111 VanDerWaalsContact C-N 3.33Å; I111-E113 VanDerWaalsContact C-N 3.34Å; I111-E113 PolarHBondContact O-N 3.37Å; I111-I114 PolarHBondContact O-N 2.83Å; I111-V115 WeakPolarHBondContact O-CB 3.42Å; I111-V115 VanDerWaalsContact O-CG2 3.3Å; I111-V115 WeakPolarHBondContact O-CG2 3.46Å; I111-V115 PolarHBondContact O-N 3Å; I111-W142 HydrophobicContact CD1-CB 4.46Å; I111-W142 HydrophobicContact CG2-CB 3.61Å
112D81Confident70.7Confident22 Ų2275.2 Ų75.212%0.11835%0.346CS..Hα-helixtrans-60.5-42178.6-72.4-7000111.6D108 R109 V115 F116 S144 C147D108-D112 WeakPolarHBondContact O-CB 3.3Å; D108-D112 PolarHBondContact O-N 2.92Å; R109-D112 PolarHBondContact O-N 3.26Å; D112-V115 PolarHBondContact O-N 3.41Å; D112-F116 HydrophobicContact CB-CE2 4.37Å; D112-F116 WeakPolarHBondContact O-CD2 3.4Å; D112-F116 PolarHBondContact O-N 2.95Å; D112-S144 PolarHBondContact OD1-N 2.87Å; D112-S144 PolarHBondContact OD1-OG 3.23Å; D112-S144 WeakPolarHBondContact OD2-CB 3.03Å; D112-S144 PolarHBondContact OD2-OG 3.07Å; D112-C147 HydrophobicContact CB-CB 4.1Å; D112-C147 VanDerWaalsContact CG-CB 3.42Å; D112-C147 WeakPolarHBondContact OD1-CB 3.47Å
113E78.9Confident71.1Confident106 Ų10677.7 Ų77.750%0.49536%0.359SS..Hα-helixtrans-61.9-44.5174.3-81.1-173.5-14800113.1R109 E110 I111 V115 F116 K117R109-E113 WeakPolarHBondContact O-CG 3.18Å; R109-E113 PolarHBondContact O-N 2.96Å; E110-E113 PolarHBondContact O-N 2.56Å; I111-E113 VanDerWaalsContact C-N 3.34Å; I111-E113 PolarHBondContact O-N 3.37Å; E113-V115 VanDerWaalsContact C-N 3.28Å; E113-V115 PolarHBondContact O-N 2.75Å; E113-F116 PolarHBondContact O-N 3.05Å; E113-K117 WeakPolarHBondContact O-CB 3.33Å; E113-K117 WeakPolarHBondContact O-CD 3.46Å; E113-K117 VanDerWaalsContact O-CG 3.27Å; E113-K117 WeakPolarHBondContact O-CG 3.47Å; E113-K117 PolarHBondContact O-N 3.35Å; E113-K117 IonicContact OE2-NZ 3.28Å; E113-K117 PolarHBondContact OE2-NZ 2.88Å
114I75.1Confident71Confident51 Ų5183.1 Ų83.126%0.26239%0.388SS..Hα-helixtrans-59.5-44.2174.8-70.5162.8000109.5P95 L106 E110 I111 K117 L118P95-I114 HydrophobicContact CG-CG2 3.68Å; L106-I114 HydrophobicContact CD1-CD1 3.82Å; E110-I114 WeakPolarHBondContact O-CD1 3.17Å; E110-I114 VanDerWaalsContact O-CG1 3.23Å; E110-I114 WeakPolarHBondContact O-CG1 3.36Å; E110-I114 PolarHBondContact O-N 3.31Å; I111-I114 PolarHBondContact O-N 2.83Å; I114-K117 WeakPolarHBondContact O-CB 3.45Å; I114-K117 PolarHBondContact O-N 2.85Å; I114-L118 WeakPolarHBondContact O-CG 3.11Å; I114-L118 PolarHBondContact O-N 3.32Å
115V77.8Confident70.4Confident4 Ų483.3 Ų83.32%0.02439%0.385CS..Hα-helixtrans-64.5-40.6178.3168.80000112.3I111 D112 E113 L118 K119 A139 C147 L151I111-V115 WeakPolarHBondContact O-CB 3.42Å; I111-V115 VanDerWaalsContact O-CG2 3.3Å; I111-V115 WeakPolarHBondContact O-CG2 3.46Å; I111-V115 PolarHBondContact O-N 3Å; D112-V115 PolarHBondContact O-N 3.41Å; E113-V115 VanDerWaalsContact C-N 3.28Å; E113-V115 PolarHBondContact O-N 2.75Å; V115-L118 WeakPolarHBondContact O-CB 3.32Å; V115-L118 PolarHBondContact O-N 3.16Å; V115-K119 PolarHBondContact O-N 3.39Å; V115-A139 HydrophobicContact CG1-CB 3.84Å; V115-C147 WeakPolarHBondContact CG1-SG 3.31Å; V115-L151 HydrophobicContact CG1-CD1 3.57Å
116F79.4Confident69.6Low60 Ų6084.2 Ų84.226%0.26340%0.397SS..Hα-helixtrans-68-37.7173.1-71.7-60000112.5D112 E113 L118 K119 Q120 T150 L151D112-F116 HydrophobicContact CB-CE2 4.37Å; D112-F116 WeakPolarHBondContact O-CD2 3.4Å; D112-F116 PolarHBondContact O-N 2.95Å; E113-F116 PolarHBondContact O-N 3.05Å; F116-L118 VanDerWaalsContact C-N 3.28Å; F116-L118 PolarHBondContact O-N 2.98Å; F116-K119 PolarHBondContact O-N 3.41Å; F116-K119 VanDerWaalsContact O-N 3.16Å; F116-Q120 WeakPolarHBondContact O-CG 3.29Å; F116-Q120 PolarHBondContact O-N 2.73Å; F116-T150 WeakPolarHBondContact CE1-OG1 3.34Å; F116-T150 WeakPolarHBondContact CZ-OG1 3.4Å; F116-L151 HydrophobicContact CD1-CD2 4.48Å
117K75.6Confident68.5Low121 Ų12190.3 Ų90.353%0.52642%0.422SS..Hα-helixtrans-61.6-37171.6-73.7162.3-179.3157.50111E113 I114 N121E113-K117 WeakPolarHBondContact O-CB 3.33Å; E113-K117 WeakPolarHBondContact O-CD 3.46Å; E113-K117 VanDerWaalsContact O-CG 3.27Å; E113-K117 WeakPolarHBondContact O-CG 3.47Å; E113-K117 PolarHBondContact O-N 3.35Å; E113-K117 IonicContact OE2-NZ 3.28Å; E113-K117 PolarHBondContact OE2-NZ 2.88Å; I114-K117 WeakPolarHBondContact O-CB 3.45Å; I114-K117 PolarHBondContact O-N 2.85Å; K117-N121 PolarHBondContact O-N 3.43Å; K117-N121 VanDerWaalsContact O-N 3.14Å; K117-N121 PolarHBondContact O-ND2 2.7Å
118L73.5Confident67Low10 Ų1090 Ų905%0.05243%0.429CS..Hα-helixtrans-63.6-46.7170.5-70.1174.6000111.4L94 P95 I114 V115 F116 Q120 N121 E122 Y138L94-L118 HydrophobicContact CD2-CD2 4.2Å; P95-L118 HydrophobicContact CG-CD1 4.17Å; I114-L118 WeakPolarHBondContact O-CG 3.11Å; I114-L118 PolarHBondContact O-N 3.32Å; V115-L118 WeakPolarHBondContact O-CB 3.32Å; V115-L118 PolarHBondContact O-N 3.16Å; F116-L118 VanDerWaalsContact C-N 3.28Å; F116-L118 PolarHBondContact O-N 2.98Å; L118-Q120 VanDerWaalsContact C-N 3.32Å; L118-Q120 PolarHBondContact O-N 3.2Å; L118-N121 CarbonylContact O-C 3.39Å; L118-N121 WeakPolarHBondContact O-CA 3.41Å; L118-N121 WeakPolarHBondContact O-CB 3.5Å; L118-N121 PolarHBondContact O-N 2.89Å; L118-E122 WeakPolarHBondContact O-CG 3.23Å; L118-E122 PolarHBondContact O-N 3.34Å; L118-Y138 HydrophobicContact CD1-CD2 3.6Å; L118-Y138 HydrophobicContact CD1-CE2 4.03Å; L118-Y138 HydrophobicContact CD1-CG 4.05Å
119K74.5Confident65.7Low23 Ų2389 Ų8910%0.142%0.419CS..Hα-helixtrans-59.2-40178-177.361.2178.3-170.60113.1V115 F116 N121 E122 L123 S135 L151 S156V115-K119 PolarHBondContact O-N 3.39Å; F116-K119 PolarHBondContact O-N 3.41Å; F116-K119 VanDerWaalsContact O-N 3.16Å; K119-N121 VanDerWaalsContact C-N 3.34Å; K119-E122 VanDerWaalsContact CD-OE2 3.23Å; K119-E122 WeakPolarHBondContact CD-OE2 3.47Å; K119-E122 IonicContact NZ-OE2 2.68Å; K119-E122 PolarHBondContact O-N 2.89Å; K119-L123 WeakPolarHBondContact O-CG 3.3Å; K119-L123 PolarHBondContact O-N 3.21Å; K119-L123 VanDerWaalsContact O-N 3.13Å; K119-S135 WeakPolarHBondContact CD-OG 3.49Å; K119-L151 HydrophobicContact CB-CD2 3.78Å; K119-L151 HydrophobicContact CD-CD2 3.94Å; K119-L151 HydrophobicContact CG-CD2 3.7Å; K119-S156 WeakPolarHBondContact CE-OG 3.23Å; K119-S156 PolarHBondContact NZ-OG 2.83Å
120Q71.8Confident64.4Low115 Ų11584.2 Ų84.254%0.53742%0.415SS..Hα-helixtrans-63-39.8173.1-68.5-68.5-12.900111.6F116 L118 L123 N124F116-Q120 WeakPolarHBondContact O-CG 3.29Å; F116-Q120 PolarHBondContact O-N 2.73Å; L118-Q120 VanDerWaalsContact C-N 3.32Å; L118-Q120 PolarHBondContact O-N 3.2Å; Q120-L123 PolarHBondContact O-N 3.27Å; Q120-N124 WeakPolarHBondContact O-CB 3.24Å; Q120-N124 PolarHBondContact O-N 2.98Å; Q120-N124 PolarHBondContact O-ND2 2.89Å; Q120-N124 VanDerWaalsContact O-ND2 3.11Å
121N64.7Low63.5Low62 Ų6280.9 Ų80.933%0.33240%0.402SS..Hα-helixtrans-68.1-34.5175.1-78.7-64.5000113.3K117 L118 K119 N124 R125K117-N121 PolarHBondContact O-N 3.43Å; K117-N121 VanDerWaalsContact O-N 3.14Å; K117-N121 PolarHBondContact O-ND2 2.7Å; L118-N121 CarbonylContact O-C 3.39Å; L118-N121 WeakPolarHBondContact O-CA 3.41Å; L118-N121 WeakPolarHBondContact O-CB 3.5Å; L118-N121 PolarHBondContact O-N 2.89Å; K119-N121 VanDerWaalsContact C-N 3.34Å; N121-N124 PolarHBondContact O-N 3.13Å; N121-R125 PolarHBondContact O-N 2.7Å; N121-R125 PolarHBondContact OD1-NH2 2.95Å; N121-R125 VanDerWaalsContact OD1-NH2 3.13Å
122E68.1Low63.3Low67 Ų6785.4 Ų85.431%0.31342%0.421SS..Hα-helixtrans-63.2-41.9173.4-69179.3144.800112.3L118 K119 N124 T134 S135L118-E122 WeakPolarHBondContact O-CG 3.23Å; L118-E122 PolarHBondContact O-N 3.34Å; K119-E122 VanDerWaalsContact CD-OE2 3.23Å; K119-E122 WeakPolarHBondContact CD-OE2 3.47Å; K119-E122 IonicContact NZ-OE2 2.68Å; K119-E122 PolarHBondContact O-N 2.89Å; E122-N124 VanDerWaalsContact C-N 3.25Å; E122-N124 PolarHBondContact O-N 2.72Å; E122-T134 VanDerWaalsContact OE1-C 3.32Å; E122-T134 WeakPolarHBondContact OE1-CA 3.4Å; E122-T134 WeakPolarHBondContact OE1-CB 3.37Å; E122-S135 PolarHBondContact OE1-N 2.98Å; E122-S135 VanDerWaalsContact OE2-CB 3.29Å; E122-S135 WeakPolarHBondContact OE2-CB 3.45Å; E122-S135 PolarHBondContact OE2-OG 3.44Å
123L62.3Low63.3Low117 Ų11786.1 Ų86.161%0.61342%0.423SS*.Hα-helixtrans-67.4-28.5177.4-69.7167.5000112.3K119 Q120K119-L123 WeakPolarHBondContact O-CG 3.3Å; K119-L123 PolarHBondContact O-N 3.21Å; K119-L123 VanDerWaalsContact O-N 3.13Å; Q120-L123 PolarHBondContact O-N 3.27Å
124N55.5Low63.5Low121 Ų12182.5 Ų82.565%0.64741%0.409SS*.Hα-helixtrans-95-6.3-173.7-69-21.3000114.5Q120 N121 E122Q120-N124 WeakPolarHBondContact O-CB 3.24Å; Q120-N124 PolarHBondContact O-N 2.98Å; Q120-N124 PolarHBondContact O-ND2 2.89Å; Q120-N124 VanDerWaalsContact O-ND2 3.11Å; N121-N124 PolarHBondContact O-N 3.13Å; E122-N124 VanDerWaalsContact C-N 3.25Å; E122-N124 PolarHBondContact O-N 2.72Å
125R46Very low64Low153 Ų15380.1 Ų80.158%0.57740%0.397SS*.  trans-144.4122.2-175.6-57.3-171.5-145.6-160.77.4113.1N121 F127N121-R125 PolarHBondContact O-N 2.7Å; N121-R125 PolarHBondContact OD1-NH2 2.95Å; N121-R125 VanDerWaalsContact OD1-NH2 3.13Å; R125-F127 HydrophobicContact CB-CB 4.21Å; R125-F127 HydrophobicContact CB-CD2 4.22Å; R125-F127 PolarHBondContact O-N 2.81Å
126N44Very low64.5Low175 Ų17580 Ų8094%0.93640%0.396SS*.  trans-69.524.7165.7-67.6-18.2000113.4
127F41.1Very low64.8Low177 Ų17777.1 Ų77.178%0.77638%0.383SS*.  trans-84.6122-174-96.8-90.9000111.4R125 R129R125-F127 HydrophobicContact CB-CB 4.21Å; R125-F127 HydrophobicContact CB-CD2 4.22Å; R125-F127 PolarHBondContact O-N 2.81Å; F127-R129 VanDerWaalsContact C-N 3.32Å; F127-R129 PolarHBondContact O-N 2.59Å
128V37.5Very low65.3Low127 Ų12771.7 Ų71.777%0.7736%0.359SS*.  trans-65.994.7165.8-175.10000107.8
129R45.8Very low66Low66 Ų6671.2 Ų71.225%0.24936%0.357CS..  trans-55.4149.5171.6-167.7171.3-178.6110.57.9109.9E96 F127 G131E96-R129 IonicContact OE1-CZ 3.13Å; E96-R129 IonicContact OE1-NE 2.7Å; E96-R129 PolarHBondContact OE1-NE 2.97Å; E96-R129 IonicContact OE1-NH2 2.7Å; E96-R129 PolarHBondContact OE1-NH2 2.9Å; F127-R129 VanDerWaalsContact C-N 3.32Å; F127-R129 PolarHBondContact O-N 2.59Å; R129-G131 CarbonylContact C-O 3.49Å; R129-G131 CarbonylContact O-C 3.57Å; R129-G131 PolarHBondContact O-N 3.45Å
130S48.6Very low66.8Low95 Ų9570.1 Ų70.166%0.66435%0.352SS*.SBendtrans-68.467.2-179.140.30000112.3E96E96-S130 PolarHBondContact OE2-OG 3.4Å
131G55.4Low67.5Low11 Ų1167.9 Ų67.911%0.11334%0.339CS..SBendtrans122.4121.9-161.600000109R129 K133 E163R129-G131 CarbonylContact C-O 3.49Å; R129-G131 CarbonylContact O-C 3.57Å; R129-G131 PolarHBondContact O-N 3.45Å; G131-K133 PolarHBondContact O-N 3.15Å; G131-E163 WeakPolarHBondContact CA-OE2 3.47Å
132K72.9Confident68.5Low111 Ų11167.2 Ų67.248%0.48333%0.332SS..  trans-70.628-175-63.4176.1177.6178.70114.2R161K132-R161 WeakPolarHBondContact CB-O 3.42Å
133K81.3Confident69.1Low36 Ų3664 Ų6416%0.15732%0.317CS..  trans-75.2129.9-175.2-64159.8-176.5149.70109.7G131 Y138 D162 E163 W171G131-K133 PolarHBondContact O-N 3.15Å; K133-Y138 HydrophobicContact CB-CE2 3.97Å; K133-D162 HydrophobicContact CG-CB 3.79Å; K133-E163 WeakPolarHBondContact CE-OE1 3.04Å; K133-E163 IonicContact NZ-OE1 2.91Å; K133-E163 PolarHBondContact NZ-OE1 3.11Å; K133-E163 IonicContact NZ-OE2 3.62Å; K133-W171 HydrophobicContact CD-CH2 3.83Å; K133-W171 HydrophobicContact CD-CZ2 4Å; K133-W171 HydrophobicContact CG-CH2 3.96Å; K133-W171 HydrophobicContact CG-CZ2 3.83Å
134T83.2Confident70.3Confident31 Ų3159.2 Ų59.219%0.1929%0.293CS..  trans-102.4162.7177.667.10000112.2E122 L136 H137 Y138 A160E122-T134 VanDerWaalsContact OE1-C 3.32Å; E122-T134 WeakPolarHBondContact OE1-CA 3.4Å; E122-T134 WeakPolarHBondContact OE1-CB 3.37Å; T134-L136 PolarHBondContact O-N 3.27Å; T134-L136 VanDerWaalsContact O-N 3.11Å; T134-H137 PolarHBondContact N-ND1 2.93Å; T134-H137 VanDerWaalsContact N-ND1 3.11Å; T134-H137 WeakPolarHBondContact O-CA 3.42Å; T134-H137 VanDerWaalsContact O-CB 3.29Å; T134-H137 WeakPolarHBondContact O-CB 3.24Å; T134-H137 PolarHBondContact O-N 3.04Å; T134-H137 PolarHBondContact OG1-ND1 3.16Å; T134-Y138 VanDerWaalsContact O-CD2 3.22Å; T134-Y138 WeakPolarHBondContact O-CD2 3.41Å; T134-Y138 PolarHBondContact O-N 2.99Å; T134-A160 HydrophobicContact CG2-CB 3.7Å
135S85.3Confident72.1Confident1 Ų158.5 Ų58.51%0.00729%0.286CS..Hα-helixtrans-47.2-37.6170.256.30000112.3K119 E122 Y138 A139K119-S135 WeakPolarHBondContact CD-OG 3.49Å; E122-S135 PolarHBondContact OE1-N 2.98Å; E122-S135 VanDerWaalsContact OE2-CB 3.29Å; E122-S135 WeakPolarHBondContact OE2-CB 3.45Å; E122-S135 PolarHBondContact OE2-OG 3.44Å; S135-Y138 PolarHBondContact O-N 2.97Å; S135-A139 WeakPolarHBondContact O-CB 3.46Å; S135-A139 PolarHBondContact O-N 3.41Å
136L87.9Confident74.2Confident0 Ų055.1 Ų55.10%028%0.282CS..Hα-helixtrans-69.5-29.6177.3-16761.9000113.5T134 A139 A140 V148 L151 I152 D157 L158 P168 L184T134-L136 PolarHBondContact O-N 3.27Å; T134-L136 VanDerWaalsContact O-N 3.11Å; L136-A139 HydrophobicContact CD1-CB 4.44Å; L136-A140 VanDerWaalsContact O-CB 3.22Å; L136-A140 WeakPolarHBondContact O-CB 3.36Å; L136-A140 PolarHBondContact O-N 2.88Å; L136-V148 HydrophobicContact CD1-CG1 4.34Å; L136-L151 HydrophobicContact CD1-CB 3.94Å; L136-L151 HydrophobicContact CD1-CD1 4.15Å; L136-I152 HydrophobicContact CD1-CG1 4.21Å; L136-I152 HydrophobicContact CD2-CG1 4.49Å; L136-D157 WeakPolarHBondContact CD2-O 3.43Å; L136-L158 HydrophobicContact CD2-CD2 3.98Å; L136-P168 HydrophobicContact CB-CB 4.39Å; L136-P168 HydrophobicContact CB-CG 4.14Å; L136-P168 HydrophobicContact CD2-CB 4.26Å; L136-P168 HydrophobicContact CD2-CG 4.1Å; L136-P168 HydrophobicContact CG-CB 3.88Å; L136-P168 HydrophobicContact CG-CG 4Å; L136-L184 HydrophobicContact CD1-CD2 4.35Å; L136-L184 HydrophobicContact CD2-CD2 4.27Å; L136-L184 HydrophobicContact CG-CD2 4.4Å
137H86.8Confident76.3Confident0 Ų046.8 Ų46.80%024%0.238CC..Hα-helixtrans-63.5-50.1171-69.180000110.4T134 A139 A140 Y141 A160 L166 W171T134-H137 PolarHBondContact N-ND1 2.93Å; T134-H137 VanDerWaalsContact N-ND1 3.11Å; T134-H137 WeakPolarHBondContact O-CA 3.42Å; T134-H137 VanDerWaalsContact O-CB 3.29Å; T134-H137 WeakPolarHBondContact O-CB 3.24Å; T134-H137 PolarHBondContact O-N 3.04Å; T134-H137 PolarHBondContact OG1-ND1 3.16Å; H137-A139 PolarHBondContact O-N 2.88Å; H137-A140 PolarHBondContact O-N 3.24Å; H137-Y141 PolarHBondContact O-N 3.45Å; H137-Y141 VanDerWaalsContact O-N 3.12Å; H137-A160 PolarHBondContact CE1-O 3.09Å; H137-A160 VanDerWaalsContact CE1-O 3.29Å; H137-A160 PolarHBondContact NE2-O 3.12Å; H137-L166 PolarHBondContact NE2-O 3.33Å; H137-L166 VanDerWaalsContact NE2-O 3.08Å; H137-W171 HydrophobicContact CB-CD2 3.82Å; H137-W171 HydrophobicContact CB-CE3 3.75Å; H137-W171 HydrophobicContact CB-CG 4.32Å; H137-W171 HydrophobicContact CB-CH2 4.45Å; H137-W171 HydrophobicContact CB-CZ2 4.48Å; H137-W171 HydrophobicContact CB-CZ3 4.09Å; H137-W171 AromaticContact CD2-CD1 3.75Å; H137-W171 AromaticContact CD2-CE2 3.88Å; H137-W171 AromaticContact CD2-NE1 3.66Å; H137-W171 VanDerWaalsContact O-CE3 3.3Å
138Y85Confident78.7Confident8 Ų838.3 Ų38.33%0.03120%0.201CC..Hα-helixtrans-61.9-41.6177.2-62.5-68.9000112.3P95 E96 L118 K133 T134 S135 A140 Y141 W142 G143 W171P95-Y138 HydrophobicContact CB-CE1 4.3Å; E96-Y138 PolarHBondContact OE1-OH 2.89Å; L118-Y138 HydrophobicContact CD1-CD2 3.6Å; L118-Y138 HydrophobicContact CD1-CE2 4.03Å; L118-Y138 HydrophobicContact CD1-CG 4.05Å; K133-Y138 HydrophobicContact CB-CE2 3.97Å; T134-Y138 VanDerWaalsContact O-CD2 3.22Å; T134-Y138 WeakPolarHBondContact O-CD2 3.41Å; T134-Y138 PolarHBondContact O-N 2.99Å; S135-Y138 PolarHBondContact O-N 2.97Å; Y138-A140 VanDerWaalsContact C-N 3.35Å; Y138-A140 PolarHBondContact O-N 2.92Å; Y138-Y141 PolarHBondContact O-N 2.85Å; Y138-W142 HydrophobicContact CD1-CE3 4.09Å; Y138-W142 AromaticContact CD1-CZ3 3.6Å; Y138-W142 HydrophobicContact CD1-CZ3 3.6Å; Y138-W142 HydrophobicContact CE1-CZ3 4.13Å; Y138-W142 PolarHBondContact O-N 3.24Å; Y138-G143 PolarHBondContact O-N 3.46Å; Y138-W171 HydrophobicContact CD1-CZ3 4.02Å; Y138-W171 HydrophobicContact CE1-CH2 4.34Å; Y138-W171 HydrophobicContact CE1-CZ3 4.2Å
139A88.5Confident81.3Confident0 Ų036.5 Ų36.50%018%0.184CC..Hα-helixtrans-61.2-41.6174.300000112.5V115 S135 L136 H137 G143 V148 L151 N180V115-A139 HydrophobicContact CG1-CB 3.84Å; S135-A139 WeakPolarHBondContact O-CB 3.46Å; S135-A139 PolarHBondContact O-N 3.41Å; L136-A139 HydrophobicContact CD1-CB 4.44Å; H137-A139 PolarHBondContact O-N 2.88Å; A139-G143 VanDerWaalsContact O-CA 3.24Å; A139-G143 WeakPolarHBondContact O-CA 3.29Å; A139-G143 PolarHBondContact O-N 3.39Å; A139-V148 HydrophobicContact CB-CG2 3.87Å; A139-V148 VanDerWaalsContact O-CG2 3.31Å; A139-V148 WeakPolarHBondContact O-CG2 3.26Å; A139-L151 HydrophobicContact CB-CD1 3.42Å; A139-L151 VanDerWaalsContact CB-CD1 3.42Å; A139-N180 PolarHBondContact O-ND2 2.88Å
140A90.5Very high83.3Confident0 Ų035.3 Ų35.30%018%0.184CC..Hα-helixtrans-65.5-39.6-179.800000112.1L136 H137 Y138 P168 W171 A172 N180 L184L136-A140 VanDerWaalsContact O-CB 3.22Å; L136-A140 WeakPolarHBondContact O-CB 3.36Å; L136-A140 PolarHBondContact O-N 2.88Å; H137-A140 PolarHBondContact O-N 3.24Å; Y138-A140 VanDerWaalsContact C-N 3.35Å; Y138-A140 PolarHBondContact O-N 2.92Å; A140-P168 HydrophobicContact CB-CB 4.16Å; A140-P168 WeakPolarHBondContact CB-O 3.24Å; A140-W171 HydrophobicContact CB-CB 4.41Å; A140-A172 HydrophobicContact CB-CB 4.18Å; A140-N180 PolarHBondContact O-ND2 3.32Å; A140-L184 HydrophobicContact CB-CD1 3.79Å
141Y87.9Confident85.2Confident67 Ų6730.8 Ų30.826%0.26315%0.152SC..Hα-helixtrans-80.9-46.1-177.1-167.9-70000113.8H137 Y138 W171 Q174 S175 R177H137-Y141 PolarHBondContact O-N 3.45Å; H137-Y141 VanDerWaalsContact O-N 3.12Å; Y138-Y141 PolarHBondContact O-N 2.85Å; Y141-W171 HydrophobicContact CD2-CB 4.47Å; Y141-W171 HydrophobicContact CD2-CD2 4.46Å; Y141-W171 HydrophobicContact CD2-CE3 4.05Å; Y141-W171 HydrophobicContact CG-CE3 4.23Å; Y141-Q174 HydrophobicContact CE2-CG 4.07Å; Y141-S175 WeakPolarHBondContact O-CB 3.48Å; Y141-R177 WeakPolarHBondContact O-CG 3.22Å
142W84.7Confident86.8Confident49 Ų4931.2 Ų31.219%0.18615%0.152CC..THydrogen-bonded Turntrans-112.2-41.2-176.5-68.8-57.4000113.5P95 I103 I111 Y138 R177P95-W142 HydrophobicContact CB-CZ3 4.28Å; I103-W142 HydrophobicContact CD1-CD2 4.15Å; I103-W142 HydrophobicContact CD1-CE3 3.9Å; I103-W142 HydrophobicContact CD1-CH2 3.29Å; I103-W142 HydrophobicContact CD1-CZ2 3.55Å; I103-W142 HydrophobicContact CD1-CZ3 3.44Å; I103-W142 VanDerWaalsContact CD1-CZ3 3.44Å; I103-W142 HydrophobicContact CG2-CB 4.45Å; I103-W142 HydrophobicContact CG2-CD2 3.78Å; I103-W142 HydrophobicContact CG2-CE3 4.26Å; I103-W142 HydrophobicContact CG2-CG 3.82Å; I111-W142 HydrophobicContact CD1-CB 4.46Å; I111-W142 HydrophobicContact CG2-CB 3.61Å; Y138-W142 HydrophobicContact CD1-CE3 4.09Å; Y138-W142 AromaticContact CD1-CZ3 3.6Å; Y138-W142 HydrophobicContact CD1-CZ3 3.6Å; Y138-W142 HydrophobicContact CE1-CZ3 4.13Å; Y138-W142 PolarHBondContact O-N 3.24Å; W142-R177 PolarHBondContact O-NH2 2.94Å; W142-R177 VanDerWaalsContact O-NH2 3.15Å
143G81.1Confident87.6Confident0 Ų033 Ų330%017%0.166CC..SBendtrans-59.3164.1-169.800000115.5Y138 A139 R177 N180Y138-G143 PolarHBondContact O-N 3.46Å; A139-G143 VanDerWaalsContact O-CA 3.24Å; A139-G143 WeakPolarHBondContact O-CA 3.29Å; A139-G143 PolarHBondContact O-N 3.39Å; G143-R177 PolarHBondContact O-NH2 2.92Å; G143-N180 PolarHBondContact O-ND2 3.11Å
144S88.4Confident87.8Confident16 Ų1636.2 Ų36.211%0.11218%0.182CC..  trans-71.6161.2173.982.40000111.9D112 T146 C147 V148D112-S144 PolarHBondContact OD1-N 2.87Å; D112-S144 PolarHBondContact OD1-OG 3.23Å; D112-S144 WeakPolarHBondContact OD2-CB 3.03Å; D112-S144 PolarHBondContact OD2-OG 3.07Å; S144-T146 PolarHBondContact O-N 3.34Å; S144-T146 PolarHBondContact OG-N 3.1Å; S144-C147 PolarHBondContact O-N 3.49Å; S144-C147 VanDerWaalsContact O-N 3.16Å; S144-C147 PolarHBondContact OG-N 3.26Å; S144-V148 PolarHBondContact O-N 3.19Å
145Q91.8Very high87.8Confident106 Ų10637.4 Ų37.450%0.49520%0.2SC..Hα-helixtrans-57.5-35.2172.8-71.4179.152.600111.9Q149 N180 I183Q145-Q149 WeakPolarHBondContact O-CB 3.5Å; Q145-Q149 VanDerWaalsContact O-CG 3.24Å; Q145-Q149 WeakPolarHBondContact O-CG 3.22Å; Q145-Q149 PolarHBondContact O-N 2.71Å; Q145-N180 WeakPolarHBondContact CG-OD1 3.38Å; Q145-I183 HydrophobicContact CB-CD1 3.55Å; Q145-I183 HydrophobicContact CG-CD1 3.76Å
146T90.3Very high87.8Confident81 Ų8137.5 Ų37.550%0.49720%0.201SC..Hα-helixtrans-69.1-41.4177-54.30000111.4S144 Q149 T150S144-T146 PolarHBondContact O-N 3.34Å; S144-T146 PolarHBondContact OG-N 3.1Å; T146-Q149 PolarHBondContact O-N 2.83Å; T146-T150 HydrophobicContact CG2-CG2 4.38Å; T146-T150 WeakPolarHBondContact O-CB 3.49Å; T146-T150 VanDerWaalsContact O-CG2 3.31Å; T146-T150 WeakPolarHBondContact O-CG2 3.46Å; T146-T150 PolarHBondContact O-N 2.72Å; T146-T150 PolarHBondContact O-OG1 2.91Å
147C89.3Confident87.6Confident0 Ų041.2 Ų41.20%022%0.22CC..Hα-helixtrans-61.4-46.1174.2-174.20000111.8D112 V115 S144 Q149 T150 L151D112-C147 HydrophobicContact CB-CB 4.1Å; D112-C147 VanDerWaalsContact CG-CB 3.42Å; D112-C147 WeakPolarHBondContact OD1-CB 3.47Å; V115-C147 WeakPolarHBondContact CG1-SG 3.31Å; S144-C147 PolarHBondContact O-N 3.49Å; S144-C147 VanDerWaalsContact O-N 3.16Å; S144-C147 PolarHBondContact OG-N 3.26Å; C147-Q149 PolarHBondContact O-N 2.87Å; C147-T150 WeakPolarHBondContact CA-OG1 3.17Å; C147-T150 PolarHBondContact O-N 2.96Å; C147-T150 PolarHBondContact O-OG1 2.77Å; C147-L151 WeakPolarHBondContact O-CB 3.29Å; C147-L151 WeakPolarHBondContact O-CG 3.46Å; C147-L151 PolarHBondContact O-N 3.35Å
148V91.1Very high87.7Confident0 Ų041.6 Ų41.60%022%0.222CC..Hα-helixtrans-59.8-45.9175176.20000111.4L136 A139 S144 I152 N180 I183 L184L136-V148 HydrophobicContact CD1-CG1 4.34Å; A139-V148 HydrophobicContact CB-CG2 3.87Å; A139-V148 VanDerWaalsContact O-CG2 3.31Å; A139-V148 WeakPolarHBondContact O-CG2 3.26Å; S144-V148 PolarHBondContact O-N 3.19Å; V148-I152 HydrophobicContact CG1-CD1 3.75Å; V148-I152 WeakPolarHBondContact O-CD1 3.43Å; V148-I152 WeakPolarHBondContact O-CG1 3.03Å; V148-I152 PolarHBondContact O-N 3.35Å; V148-I152 VanDerWaalsContact O-N 3.09Å; V148-N180 HydrophobicContact CG2-CB 4.19Å; V148-I183 HydrophobicContact CG1-CB 4.42Å; V148-I183 HydrophobicContact CG1-CG2 3.82Å; V148-L184 HydrophobicContact CG1-CD2 4.07Å; V148-L184 HydrophobicContact CG1-CG 4.01Å
149Q91.1Very high87.8Confident89 Ų8942.7 Ų42.742%0.41623%0.23SC..Hα-helixtrans-61-49.1177.5-75168.84.300112.7Q145 T146 C147 I152 L153 I183Q145-Q149 WeakPolarHBondContact O-CB 3.5Å; Q145-Q149 VanDerWaalsContact O-CG 3.24Å; Q145-Q149 WeakPolarHBondContact O-CG 3.22Å; Q145-Q149 PolarHBondContact O-N 2.71Å; T146-Q149 PolarHBondContact O-N 2.83Å; C147-Q149 PolarHBondContact O-N 2.87Å; Q149-I152 PolarHBondContact O-N 3.11Å; Q149-L153 WeakPolarHBondContact O-CG 3.01Å; Q149-L153 PolarHBondContact O-N 3.4Å; Q149-I183 HydrophobicContact CG-CD1 4.04Å; Q149-I183 HydrophobicContact CG-CG1 4.36Å; Q149-I183 HydrophobicContact CG-CG2 3.77Å
150T88.6Confident87.7Confident40 Ų4043.3 Ų43.325%0.24524%0.235CC..Hα-helixtrans-63.6-40.8-179.951.50000112.4F116 T146 C147 I152 L153 Q154F116-T150 WeakPolarHBondContact CE1-OG1 3.34Å; F116-T150 WeakPolarHBondContact CZ-OG1 3.4Å; T146-T150 HydrophobicContact CG2-CG2 4.38Å; T146-T150 WeakPolarHBondContact O-CB 3.49Å; T146-T150 VanDerWaalsContact O-CG2 3.31Å; T146-T150 WeakPolarHBondContact O-CG2 3.46Å; T146-T150 PolarHBondContact O-N 2.72Å; T146-T150 PolarHBondContact O-OG1 2.91Å; C147-T150 WeakPolarHBondContact CA-OG1 3.17Å; C147-T150 PolarHBondContact O-N 2.96Å; C147-T150 PolarHBondContact O-OG1 2.77Å; T150-I152 VanDerWaalsContact C-N 3.33Å; T150-I152 PolarHBondContact O-N 3.11Å; T150-L153 PolarHBondContact O-N 3.12Å; T150-Q154 WeakPolarHBondContact O-CB 3.49Å; T150-Q154 VanDerWaalsContact O-CG 3.26Å; T150-Q154 WeakPolarHBondContact O-CG 3.11Å; T150-Q154 PolarHBondContact O-N 2.94Å
151L87.4Confident87.5Confident0 Ų046.4 Ų46.40%025%0.247CC..Hα-helixtrans-63.5-37.3174-75.7174.4000112.8V115 F116 K119 L136 A139 C147 Q154 S156V115-L151 HydrophobicContact CG1-CD1 3.57Å; F116-L151 HydrophobicContact CD1-CD2 4.48Å; K119-L151 HydrophobicContact CB-CD2 3.78Å; K119-L151 HydrophobicContact CD-CD2 3.94Å; K119-L151 HydrophobicContact CG-CD2 3.7Å; L136-L151 HydrophobicContact CD1-CB 3.94Å; L136-L151 HydrophobicContact CD1-CD1 4.15Å; A139-L151 HydrophobicContact CB-CD1 3.42Å; A139-L151 VanDerWaalsContact CB-CD1 3.42Å; C147-L151 WeakPolarHBondContact O-CB 3.29Å; C147-L151 WeakPolarHBondContact O-CG 3.46Å; C147-L151 PolarHBondContact O-N 3.35Å; L151-Q154 CarbonylContact O-C 3.53Å; L151-Q154 PolarHBondContact O-N 3.21Å; L151-S156 WeakPolarHBondContact O-CB 3.31Å; L151-S156 PolarHBondContact O-N 2.74Å; L151-S156 PolarHBondContact O-OG 3.03Å
152I90.1Very high87.4Confident20 Ų2043.4 Ų43.410%0.10324%0.235CC..Hα-helixtrans-65.9-43.2174.3-68.9164.2000110.3L136 V148 Q149 T150 Q154 G155 L158 I183 L184 A187 R191L136-I152 HydrophobicContact CD1-CG1 4.21Å; L136-I152 HydrophobicContact CD2-CG1 4.49Å; V148-I152 HydrophobicContact CG1-CD1 3.75Å; V148-I152 WeakPolarHBondContact O-CD1 3.43Å; V148-I152 WeakPolarHBondContact O-CG1 3.03Å; V148-I152 PolarHBondContact O-N 3.35Å; V148-I152 VanDerWaalsContact O-N 3.09Å; Q149-I152 PolarHBondContact O-N 3.11Å; T150-I152 VanDerWaalsContact C-N 3.33Å; T150-I152 PolarHBondContact O-N 3.11Å; I152-Q154 VanDerWaalsContact C-N 3.31Å; I152-Q154 PolarHBondContact O-N 2.92Å; I152-G155 PolarHBondContact O-N 2.88Å; I152-G155 VanDerWaalsContact O-N 3.09Å; I152-L158 HydrophobicContact CD1-CD2 4.3Å; I152-L158 HydrophobicContact CG1-CD2 4.19Å; I152-I183 HydrophobicContact CD1-CG2 3.8Å; I152-L184 HydrophobicContact CD1-CD2 3.96Å; I152-A187 HydrophobicContact CD1-CB 3.9Å; I152-A187 HydrophobicContact CG2-CB 3.84Å; I152-R191 PolarHBondContact O-NH2 3.34Å
153L89.3Confident87.3Confident150 Ų15045.1 Ų45.179%0.78525%0.245SC*.Hα-helixtrans-64-34.2175-70.2169.7000112.3Q149 T150 G155Q149-L153 WeakPolarHBondContact O-CG 3.01Å; Q149-L153 PolarHBondContact O-N 3.4Å; T150-L153 PolarHBondContact O-N 3.12Å; L153-G155 PolarHBondContact O-N 3.48Å; L153-G155 VanDerWaalsContact O-N 3.11Å
154Q85.3Confident87.2Confident103 Ų10351.9 Ų51.948%0.48127%0.272SS..THydrogen-bonded Turntrans-73.614.8171.4-70.1172.10.100113.8T150 L151 I152 S156T150-Q154 WeakPolarHBondContact O-CB 3.49Å; T150-Q154 VanDerWaalsContact O-CG 3.26Å; T150-Q154 WeakPolarHBondContact O-CG 3.11Å; T150-Q154 PolarHBondContact O-N 2.94Å; L151-Q154 CarbonylContact O-C 3.53Å; L151-Q154 PolarHBondContact O-N 3.21Å; I152-Q154 VanDerWaalsContact C-N 3.31Å; I152-Q154 PolarHBondContact O-N 2.92Å; Q154-S156 VanDerWaalsContact C-N 3.35Å; Q154-S156 PolarHBondContact O-N 3.45Å
155G82.6Confident87Confident56 Ų5651.2 Ų51.258%0.57727%0.268SS*.THydrogen-bonded Turntrans73.519.7174.300000115I152 L153I152-G155 PolarHBondContact O-N 2.88Å; I152-G155 VanDerWaalsContact O-N 3.09Å; L153-G155 PolarHBondContact O-N 3.48Å; L153-G155 VanDerWaalsContact O-N 3.11Å
156S86Confident86.9Confident3 Ų346.8 Ų46.82%0.02125%0.247CC..  trans-61.9140.9176.2-57.40000111.7K119 L151 Q154 L158 R191K119-S156 WeakPolarHBondContact CE-OG 3.23Å; K119-S156 PolarHBondContact NZ-OG 2.83Å; L151-S156 WeakPolarHBondContact O-CB 3.31Å; L151-S156 PolarHBondContact O-N 2.74Å; L151-S156 PolarHBondContact O-OG 3.03Å; Q154-S156 VanDerWaalsContact C-N 3.35Å; Q154-S156 PolarHBondContact O-N 3.45Å; S156-L158 PolarHBondContact O-N 3.5Å; S156-R191 PolarHBondContact O-NH1 2.85Å
157D84.8Confident86.9Confident78 Ų7843 Ų4342%0.41722%0.224SC..  trans-73.6124.4-179.9-179.318000111.1L136 T159 A160L136-D157 WeakPolarHBondContact CD2-O 3.43Å; D157-T159 VanDerWaalsContact C-N 3.33Å; D157-T159 WeakPolarHBondContact OD1-CA 3.33Å; D157-T159 WeakPolarHBondContact OD1-CB 3.18Å; D157-T159 PolarHBondContact OD1-N 3.09Å; D157-T159 PolarHBondContact OD1-OG1 2.98Å; D157-T159 PolarHBondContact OD2-OG1 3.19Å; D157-A160 HydrophobicContact CB-CB 4.27Å; D157-A160 WeakPolarHBondContact OD2-CA 3.32Å; D157-A160 PolarHBondContact OD2-N 2.81Å
158L87.8Confident86.9Confident7 Ų743 Ų434%0.03722%0.224CC..SBendtrans-80.1-18.1176.2-69165.9000112.4L136 I152 S156 L184 A187 A188 I193L136-L158 HydrophobicContact CD2-CD2 3.98Å; I152-L158 HydrophobicContact CD1-CD2 4.3Å; I152-L158 HydrophobicContact CG1-CD2 4.19Å; S156-L158 PolarHBondContact O-N 3.5Å; L158-L184 HydrophobicContact CD2-CD2 3.46Å; L158-L184 VanDerWaalsContact CD2-CD2 3.46Å; L158-A187 HydrophobicContact CD1-CB 3.88Å; L158-A187 HydrophobicContact CD2-CB 4.26Å; L158-A188 HydrophobicContact CD1-CB 4.42Å; L158-I193 HydrophobicContact CB-CD1 4.03Å; L158-I193 HydrophobicContact CD1-CD1 3.83Å
159T87.6Confident87Confident31 Ų3143.2 Ų43.219%0.1923%0.225CC..SBendtrans-102.4-2.8-174.366.40000114D157 R161 I193 Q197D157-T159 VanDerWaalsContact C-N 3.33Å; D157-T159 WeakPolarHBondContact OD1-CA 3.33Å; D157-T159 WeakPolarHBondContact OD1-CB 3.18Å; D157-T159 PolarHBondContact OD1-N 3.09Å; D157-T159 PolarHBondContact OD1-OG1 2.98Å; D157-T159 PolarHBondContact OD2-OG1 3.19Å; T159-R161 PolarHBondContact O-N 3.49Å; T159-I193 HydrophobicContact CG2-CD1 4.08Å; T159-I193 HydrophobicContact CG2-CG2 3.54Å; T159-Q197 HydrophobicContact CG2-CB 4.32Å; T159-Q197 HydrophobicContact CG2-CG 3.6Å
160A86.7Confident87Confident14 Ų1439 Ų3912%0.11621%0.205CC..  trans-52.5134.9173.500000109.7T134 H137 D157 T167 P168T134-A160 HydrophobicContact CG2-CB 3.7Å; H137-A160 PolarHBondContact CE1-O 3.09Å; H137-A160 VanDerWaalsContact CE1-O 3.29Å; H137-A160 PolarHBondContact NE2-O 3.12Å; D157-A160 HydrophobicContact CB-CB 4.27Å; D157-A160 WeakPolarHBondContact OD2-CA 3.32Å; D157-A160 PolarHBondContact OD2-N 2.81Å; A160-T167 WeakPolarHBondContact O-CA 3.28Å; A160-P168 WeakPolarHBondContact O-CD 3.42Å
161R86.6Confident87.1Confident64 Ų6438.2 Ų38.224%0.24220%0.198CC..  trans-117.3132.2-178.1-73.8-175.8-177.4-157.5-6110.2K132 T159 L166 T167 Q197K132-R161 WeakPolarHBondContact CB-O 3.42Å; T159-R161 PolarHBondContact O-N 3.49Å; R161-L166 CarbonylContact C-O 3.59Å; R161-L166 WeakPolarHBondContact CA-O 3.42Å; R161-T167 HydrophobicContact CG-CG2 3.8Å; R161-Q197 PolarHBondContact NH2-O 2.94Å
162D83.7Confident87.3Confident4 Ų438.2 Ų38.22%0.02120%0.198CC..  trans-71.7-171.3171.876.17.9000112.9K133 Y164 G165 L166 W171K133-D162 HydrophobicContact CG-CB 3.79Å; D162-Y164 PolarHBondContact O-N 2.64Å; D162-Y164 WeakPolarHBondContact OD1-CA 3.46Å; D162-Y164 PolarHBondContact OD1-N 2.84Å; D162-G165 PolarHBondContact O-N 3.29Å; D162-G165 VanDerWaalsContact O-N 3.12Å; D162-G165 PolarHBondContact OD1-N 3.08Å; D162-G165 VanDerWaalsContact OD1-N 3.08Å; D162-L166 PolarHBondContact N-O 2.98Å; D162-L166 WeakPolarHBondContact OD1-CB 3.17Å; D162-L166 PolarHBondContact OD1-N 3.41Å; D162-W171 WeakPolarHBondContact OD2-CZ2 3.45Å; D162-W171 PolarHBondContact OD2-NE1 3.41Å
163E82.8Confident87.4Confident85 Ų8537.4 Ų37.440%0.39719%0.194SC..THydrogen-bonded Turntrans-61.8-26.3178.667.1-155.2158.500114.6G131 K133G131-E163 WeakPolarHBondContact CA-OE2 3.47Å; K133-E163 WeakPolarHBondContact CE-OE1 3.04Å; K133-E163 IonicContact NZ-OE1 2.91Å; K133-E163 PolarHBondContact NZ-OE1 3.11Å; K133-E163 IonicContact NZ-OE2 3.62Å
164Y79.9Confident87.4Confident142 Ų14233.4 Ų33.456%0.55717%0.171SC*.THydrogen-bonded Turntrans-94.2-1.7177.2-55.4-71.5000112.2D162 L166 S202D162-Y164 PolarHBondContact O-N 2.64Å; D162-Y164 WeakPolarHBondContact OD1-CA 3.46Å; D162-Y164 PolarHBondContact OD1-N 2.84Å; Y164-L166 VanDerWaalsContact C-N 3.32Å; Y164-L166 HydrophobicContact CD2-CD1 4.36Å; Y164-S202 WeakPolarHBondContact O-CB 3.38Å; Y164-S202 PolarHBondContact O-N 3.39Å
165G84.9Confident87.5Confident2 Ų229 Ų292%0.02115%0.152CC..SBendtrans82.45.8-173.300000114.4D162 S202D162-G165 PolarHBondContact O-N 3.29Å; D162-G165 VanDerWaalsContact O-N 3.12Å; D162-G165 PolarHBondContact OD1-N 3.08Å; D162-G165 VanDerWaalsContact OD1-N 3.08Å; G165-S202 VanDerWaalsContact CA-OG 3.27Å; G165-S202 WeakPolarHBondContact CA-OG 3.45Å
166L88.7Confident87.8Confident14 Ų1427.5 Ų27.57%0.07313%0.13CC..  trans-72.6143.6178.8-49.4167.7000108.7H137 R161 D162 Y164 I170 D201 H210H137-L166 PolarHBondContact NE2-O 3.33Å; H137-L166 VanDerWaalsContact NE2-O 3.08Å; R161-L166 CarbonylContact C-O 3.59Å; R161-L166 WeakPolarHBondContact CA-O 3.42Å; D162-L166 PolarHBondContact N-O 2.98Å; D162-L166 WeakPolarHBondContact OD1-CB 3.17Å; D162-L166 PolarHBondContact OD1-N 3.41Å; Y164-L166 VanDerWaalsContact C-N 3.32Å; Y164-L166 HydrophobicContact CD2-CD1 4.36Å; L166-I170 HydrophobicContact CB-CB 4.36Å; L166-I170 HydrophobicContact CB-CG2 4.22Å; L166-I170 HydrophobicContact CD2-CG2 3.63Å; L166-I170 HydrophobicContact CG-CG2 4.44Å; L166-D201 HydrophobicContact CD2-CB 3.71Å; L166-H210 VanDerWaalsContact CD2-CE1 3.4Å; L166-H210 WeakPolarHBondContact CD2-CE1 3.41Å
167T90.5Very high88Confident0 Ų031.2 Ų31.20%014%0.144CC..  trans-103.8166.3176.754.90000110.3A160 R161 I169 I170 W171 W198A160-T167 WeakPolarHBondContact O-CA 3.28Å; R161-T167 HydrophobicContact CG-CG2 3.8Å; T167-I169 PolarHBondContact O-N 3.27Å; T167-I169 VanDerWaalsContact O-N 3.1Å; T167-I169 WeakPolarHBondContact OG1-CG2 3.48Å; T167-I170 WeakPolarHBondContact O-CB 3.49Å; T167-I170 PolarHBondContact O-N 3.15Å; T167-I170 WeakPolarHBondContact OG1-CD1 3.47Å; T167-I170 WeakPolarHBondContact OG1-CG1 3.42Å; T167-W171 PolarHBondContact O-N 2.73Å; T167-W171 VanDerWaalsContact O-N 3.07Å; T167-W198 PolarHBondContact OG1-O 3.46Å
168P90.1Very high88.3Confident0 Ų030.2 Ų30.20%014%0.138CC..Hα-helixtrans-54.5-34.8179.3-27.935000113.4L136 A140 A160 W171 A172L136-P168 HydrophobicContact CB-CB 4.39Å; L136-P168 HydrophobicContact CB-CG 4.14Å; L136-P168 HydrophobicContact CD2-CB 4.26Å; L136-P168 HydrophobicContact CD2-CG 4.1Å; L136-P168 HydrophobicContact CG-CB 3.88Å; L136-P168 HydrophobicContact CG-CG 4Å; A140-P168 HydrophobicContact CB-CB 4.16Å; A140-P168 WeakPolarHBondContact CB-O 3.24Å; A160-P168 WeakPolarHBondContact O-CD 3.42Å; P168-W171 WeakPolarHBondContact O-CB 3.27Å; P168-W171 PolarHBondContact O-N 2.98Å; P168-A172 PolarHBondContact O-N 3.27Å
169I92.3Very high88.5Confident5 Ų530.9 Ų30.93%0.02615%0.147CC..Hα-helixtrans-72.1-29.3179.1-161.9172.6000113.2T167 A172 C173 L181 L184 L185 W198 L207T167-I169 PolarHBondContact O-N 3.27Å; T167-I169 VanDerWaalsContact O-N 3.1Å; T167-I169 WeakPolarHBondContact OG1-CG2 3.48Å; I169-A172 PolarHBondContact O-N 3.07Å; I169-C173 PolarHBondContact O-N 3.1Å; I169-C173 PolarHBondContact O-SG 2.79Å; I169-L181 HydrophobicContact CD1-CD1 4.04Å; I169-L181 HydrophobicContact CG1-CD1 3.52Å; I169-L184 HydrophobicContact CB-CB 4.16Å; I169-L184 HydrophobicContact CB-CD1 4.26Å; I169-L184 HydrophobicContact CD1-CB 3.95Å; I169-L184 HydrophobicContact CG1-CB 3.84Å; I169-L184 HydrophobicContact CG1-CD1 4.43Å; I169-L185 HydrophobicContact CD1-CD2 3.61Å; I169-L185 HydrophobicContact CD1-CG 3.85Å; I169-W198 HydrophobicContact CD1-CE3 3.63Å; I169-W198 HydrophobicContact CD1-CZ3 3.65Å; I169-W198 HydrophobicContact CG2-CB 4.41Å; I169-W198 HydrophobicContact CG2-CE3 4.05Å; I169-W198 WeakPolarHBondContact CG2-O 3.21Å; I169-L207 HydrophobicContact CD1-CD2 4.45Å; I169-L207 HydrophobicContact CG2-CD2 4.49Å
170I91Very high88.8Confident0 Ų029.5 Ų29.50%014%0.139CC..Hα-helixtrans-71.1-38.7170.8-63.6171.1000109.9L166 T167 A172 C173 Q174 D201 L207 H210L166-I170 HydrophobicContact CB-CB 4.36Å; L166-I170 HydrophobicContact CB-CG2 4.22Å; L166-I170 HydrophobicContact CD2-CG2 3.63Å; L166-I170 HydrophobicContact CG-CG2 4.44Å; T167-I170 WeakPolarHBondContact O-CB 3.49Å; T167-I170 PolarHBondContact O-N 3.15Å; T167-I170 WeakPolarHBondContact OG1-CD1 3.47Å; T167-I170 WeakPolarHBondContact OG1-CG1 3.42Å; I170-A172 VanDerWaalsContact C-N 3.32Å; I170-A172 PolarHBondContact O-N 2.95Å; I170-C173 WeakPolarHBondContact O-CA 3.48Å; I170-C173 WeakPolarHBondContact O-CB 3.34Å; I170-C173 PolarHBondContact O-N 3.31Å; I170-Q174 PolarHBondContact O-N 2.73Å; I170-D201 HydrophobicContact CD1-CB 4.38Å; I170-L207 HydrophobicContact CG1-CB 3.91Å; I170-H210 HydrophobicContact CG2-CB 3.72Å; I170-H210 VanDerWaalsContact CG2-CG 3.45Å
171W90.9Very high89.1Confident25 Ų2528.9 Ų28.910%0.09513%0.133CC..Hα-helixtrans-61.1-36.5171.9-8148.5000112.7K133 H137 Y138 A140 Y141 D162 T167 P168 S175K133-W171 HydrophobicContact CD-CH2 3.83Å; K133-W171 HydrophobicContact CD-CZ2 4Å; K133-W171 HydrophobicContact CG-CH2 3.96Å; K133-W171 HydrophobicContact CG-CZ2 3.83Å; H137-W171 HydrophobicContact CB-CD2 3.82Å; H137-W171 HydrophobicContact CB-CE3 3.75Å; H137-W171 HydrophobicContact CB-CG 4.32Å; H137-W171 HydrophobicContact CB-CH2 4.45Å; H137-W171 HydrophobicContact CB-CZ2 4.48Å; H137-W171 HydrophobicContact CB-CZ3 4.09Å; H137-W171 AromaticContact CD2-CD1 3.75Å; H137-W171 AromaticContact CD2-CE2 3.88Å; H137-W171 AromaticContact CD2-NE1 3.66Å; H137-W171 VanDerWaalsContact O-CE3 3.3Å; Y138-W171 HydrophobicContact CD1-CZ3 4.02Å; Y138-W171 HydrophobicContact CE1-CH2 4.34Å; Y138-W171 HydrophobicContact CE1-CZ3 4.2Å; A140-W171 HydrophobicContact CB-CB 4.41Å; Y141-W171 HydrophobicContact CD2-CB 4.47Å; Y141-W171 HydrophobicContact CD2-CD2 4.46Å; Y141-W171 HydrophobicContact CD2-CE3 4.05Å; Y141-W171 HydrophobicContact CG-CE3 4.23Å; D162-W171 WeakPolarHBondContact OD2-CZ2 3.45Å; D162-W171 PolarHBondContact OD2-NE1 3.41Å; T167-W171 PolarHBondContact O-N 2.73Å; T167-W171 VanDerWaalsContact O-N 3.07Å; P168-W171 WeakPolarHBondContact O-CB 3.27Å; P168-W171 PolarHBondContact O-N 2.98Å; W171-S175 WeakPolarHBondContact O-CB 3.49Å; W171-S175 PolarHBondContact O-N 3.33Å; W171-S175 VanDerWaalsContact O-N 3.15Å; W171-S175 PolarHBondContact O-OG 3.43Å
172A92.4Very high89.3Confident0 Ų027.2 Ų27.20%013%0.13CC..Hα-helixtrans-64.8-35.417100000113A140 P168 I169 I170 S175 D176 R177 N180 L181 L184A140-A172 HydrophobicContact CB-CB 4.18Å; P168-A172 PolarHBondContact O-N 3.27Å; I169-A172 PolarHBondContact O-N 3.07Å; I170-A172 VanDerWaalsContact C-N 3.32Å; I170-A172 PolarHBondContact O-N 2.95Å; A172-S175 WeakPolarHBondContact CA-OG 3.48Å; A172-S175 PolarHBondContact O-OG 3.26Å; A172-S175 VanDerWaalsContact O-OG 3.11Å; A172-D176 PolarHBondContact O-N 3.11Å; A172-R177 PolarHBondContact O-N 2.77Å; A172-N180 HydrophobicContact CB-CB 4.31Å; A172-L181 HydrophobicContact CB-CB 4.18Å; A172-L184 HydrophobicContact CB-CD1 3.98Å
173C91.1Very high89.8Confident2 Ų228 Ų281%0.01413%0.134CC..Hα-helixtrans-69.4-47.2176.1-65.90000111.8I169 I170 S175 D176 T211I169-C173 PolarHBondContact O-N 3.1Å; I169-C173 PolarHBondContact O-SG 2.79Å; I170-C173 WeakPolarHBondContact O-CA 3.48Å; I170-C173 WeakPolarHBondContact O-CB 3.34Å; I170-C173 PolarHBondContact O-N 3.31Å; C173-S175 PolarHBondContact O-N 3.49Å; C173-D176 PolarHBondContact O-N 3.11Å; C173-D176 VanDerWaalsContact O-N 3.11Å; C173-T211 HydrophobicContact CB-CG2 3.81Å
174Q89.3Confident90.2Very high67 Ų6724 Ų2431%0.31312%0.116SC..Hα-helixtrans-63.5-28178.8169.7168.514.900113.4Y141 I170 L213Y141-Q174 HydrophobicContact CE2-CG 4.07Å; I170-Q174 PolarHBondContact O-N 2.73Å; Q174-L213 HydrophobicContact CB-CD1 3.94Å; Q174-L213 HydrophobicContact CG-CD1 3.51Å
175S88Confident90.7Very high11 Ų1117.7 Ų17.78%0.0779%0.091CC..THydrogen-bonded Turntrans-89.3-9176.1550000114.1Y141 W171 A172 C173 R177Y141-S175 WeakPolarHBondContact O-CB 3.48Å; W171-S175 WeakPolarHBondContact O-CB 3.49Å; W171-S175 PolarHBondContact O-N 3.33Å; W171-S175 VanDerWaalsContact O-N 3.15Å; W171-S175 PolarHBondContact O-OG 3.43Å; A172-S175 WeakPolarHBondContact CA-OG 3.48Å; A172-S175 PolarHBondContact O-OG 3.26Å; A172-S175 VanDerWaalsContact O-OG 3.11Å; C173-S175 PolarHBondContact O-N 3.49Å; S175-R177 VanDerWaalsContact C-N 3.27Å; S175-R177 PolarHBondContact O-N 3.03Å; S175-R177 VanDerWaalsContact OG-CG 3.29Å; S175-R177 WeakPolarHBondContact OG-CG 3.45Å
176D89.5Confident91Very high23 Ų2323.8 Ų23.812%0.12312%0.117CC..THydrogen-bonded Turntrans57.833.9-172.1-165.742.1000113.8A172 C173 L178 R217 L218 K219 C220A172-D176 PolarHBondContact O-N 3.11Å; C173-D176 PolarHBondContact O-N 3.11Å; C173-D176 VanDerWaalsContact O-N 3.11Å; D176-L178 VanDerWaalsContact C-N 3.34Å; D176-L178 PolarHBondContact O-N 2.84Å; D176-L178 VanDerWaalsContact O-N 3.11Å; D176-R217 HydrophobicContact CB-CB 3.73Å; D176-R217 HydrophobicContact CB-CG 4.27Å; D176-R217 VanDerWaalsContact CG-C 3.43Å; D176-R217 VanDerWaalsContact OD2-C 3.22Å; D176-R217 WeakPolarHBondContact OD2-CA 3.42Å; D176-L218 PolarHBondContact OD2-N 3.47Å; D176-K219 WeakPolarHBondContact OD1-CA 3.04Å; D176-K219 WeakPolarHBondContact OD1-CB 3.48Å; D176-K219 PolarHBondContact OD1-N 3.17Å; D176-K219 PolarHBondContact OD2-N 2.94Å; D176-C220 WeakPolarHBondContact OD1-CB 3.44Å; D176-C220 PolarHBondContact OD1-N 3.44Å
177R89.6Confident91.1Very high82 Ų8223.6 Ų23.631%0.30912%0.118SC..  trans-87.471.8179.7-64.8-71.5-78.3-168.9-10.7110.3Y141 W142 G143 A172 S175 G179 N180 L181Y141-R177 WeakPolarHBondContact O-CG 3.22Å; W142-R177 PolarHBondContact O-NH2 2.94Å; W142-R177 VanDerWaalsContact O-NH2 3.15Å; G143-R177 PolarHBondContact O-NH2 2.92Å; A172-R177 PolarHBondContact O-N 2.77Å; S175-R177 VanDerWaalsContact C-N 3.27Å; S175-R177 PolarHBondContact O-N 3.03Å; S175-R177 VanDerWaalsContact OG-CG 3.29Å; S175-R177 WeakPolarHBondContact OG-CG 3.45Å; R177-G179 VanDerWaalsContact C-N 3.26Å; R177-G179 PolarHBondContact O-N 3.27Å; R177-G179 VanDerWaalsContact O-N 3.12Å; R177-N180 HydrophobicContact CB-CB 3.97Å; R177-N180 WeakPolarHBondContact O-CB 3.32Å; R177-N180 PolarHBondContact O-N 2.94Å; R177-L181 PolarHBondContact O-N 3.11Å
178L91.6Very high91Very high56 Ų5623.7 Ų23.729%0.29312%0.119SC..Hα-helixtrans-48.1-42.6-177.5177.660.9000113.9D176 N180 L181 V182 K219 Y223D176-L178 VanDerWaalsContact C-N 3.34Å; D176-L178 PolarHBondContact O-N 2.84Å; D176-L178 VanDerWaalsContact O-N 3.11Å; L178-N180 PolarHBondContact O-N 3.32Å; L178-L181 PolarHBondContact O-N 2.91Å; L178-V182 HydrophobicContact CD1-CG2 3.93Å; L178-V182 HydrophobicContact CG-CG2 4.42Å; L178-V182 VanDerWaalsContact O-CG2 3.32Å; L178-V182 WeakPolarHBondContact O-CG2 3.47Å; L178-V182 PolarHBondContact O-N 3.45Å; L178-K219 HydrophobicContact CB-CB 4.23Å; L178-K219 HydrophobicContact CD2-CB 4.28Å; L178-Y223 VanDerWaalsContact CD1-CB 3.46Å; L178-Y223 HydrophobicContact CD1-CD1 4.12Å; L178-Y223 HydrophobicContact CD1-CD2 4Å; L178-Y223 HydrophobicContact CD1-CG 3.59Å
179G91.5Very high90.9Very high22 Ų2229.4 Ų29.423%0.22714%0.144CC..Hα-helixtrans-60.1-46.117700000112.9R177 V182 I183R177-G179 VanDerWaalsContact C-N 3.26Å; R177-G179 PolarHBondContact O-N 3.27Å; R177-G179 VanDerWaalsContact O-N 3.12Å; G179-V182 PolarHBondContact O-N 3.39Å; G179-I183 WeakPolarHBondContact O-CD1 3.42Å; G179-I183 VanDerWaalsContact O-CG1 3.28Å; G179-I183 WeakPolarHBondContact O-CG1 3.34Å; G179-I183 PolarHBondContact O-N 3.36Å; G179-I183 VanDerWaalsContact O-N 3.11Å
180N93Very high90.7Very high2 Ų236.1 Ų36.11%0.01118%0.178CC..Hα-helixtrans-66.4-41.8178.2-63.20.1000110.5A139 A140 G143 Q145 V148 A172 R177 L178 I183 L184A139-N180 PolarHBondContact O-ND2 2.88Å; A140-N180 PolarHBondContact O-ND2 3.32Å; G143-N180 PolarHBondContact O-ND2 3.11Å; Q145-N180 WeakPolarHBondContact CG-OD1 3.38Å; V148-N180 HydrophobicContact CG2-CB 4.19Å; A172-N180 HydrophobicContact CB-CB 4.31Å; R177-N180 HydrophobicContact CB-CB 3.97Å; R177-N180 WeakPolarHBondContact O-CB 3.32Å; R177-N180 PolarHBondContact O-N 2.94Å; L178-N180 PolarHBondContact O-N 3.32Å; N180-I183 PolarHBondContact O-N 3.37Å; N180-L184 WeakPolarHBondContact O-CB 3.41Å; N180-L184 WeakPolarHBondContact O-CD1 3.27Å; N180-L184 VanDerWaalsContact O-CG 3.27Å; N180-L184 WeakPolarHBondContact O-CG 3.47Å; N180-L184 PolarHBondContact O-N 3.04Å
181L92.9Very high90.5Very high0 Ų040.7 Ų40.70%020%0.195CC..Hα-helixtrans-57.1-49.7173.9174.660.6000111.9I169 A172 R177 L178 I183 L184 L185 C220 L224I169-L181 HydrophobicContact CD1-CD1 4.04Å; I169-L181 HydrophobicContact CG1-CD1 3.52Å; A172-L181 HydrophobicContact CB-CB 4.18Å; R177-L181 PolarHBondContact O-N 3.11Å; L178-L181 PolarHBondContact O-N 2.91Å; L181-I183 VanDerWaalsContact C-N 3.31Å; L181-I183 PolarHBondContact O-N 3.5Å; L181-L184 PolarHBondContact O-N 3.46Å; L181-L185 HydrophobicContact CD1-CD1 4.01Å; L181-L185 HydrophobicContact CD1-CG 3.97Å; L181-L185 HydrophobicContact CG-CD1 3.98Å; L181-L185 HydrophobicContact CG-CG 4.37Å; L181-L185 WeakPolarHBondContact O-CB 3.27Å; L181-L185 WeakPolarHBondContact O-CG 3.42Å; L181-L185 PolarHBondContact O-N 3Å; L181-C220 HydrophobicContact CD2-CB 3.83Å; L181-C220 VanDerWaalsContact CD2-SG 3.54Å; L181-L224 HydrophobicContact CD2-CD1 4.07Å; L181-L224 HydrophobicContact CD2-CD2 4.35Å; L181-L224 HydrophobicContact CD2-CG 4.13Å
182V92.6Very high90.1Very high29 Ų2944.4 Ų44.418%0.17623%0.225CC..Hα-helixtrans-62.7-37.9-179.8170.80000111.7L178 G179 K186 Y223L178-V182 HydrophobicContact CD1-CG2 3.93Å; L178-V182 HydrophobicContact CG-CG2 4.42Å; L178-V182 VanDerWaalsContact O-CG2 3.32Å; L178-V182 WeakPolarHBondContact O-CG2 3.47Å; L178-V182 PolarHBondContact O-N 3.45Å; G179-V182 PolarHBondContact O-N 3.39Å; V182-K186 HydrophobicContact CG1-CD 4.17Å; V182-K186 WeakPolarHBondContact O-CB 3.42Å; V182-K186 VanDerWaalsContact O-CG 3.27Å; V182-K186 WeakPolarHBondContact O-CG 3.21Å; V182-K186 PolarHBondContact O-N 3.08Å; V182-Y223 HydrophobicContact CG2-CD1 4.35Å; V182-Y223 HydrophobicContact CG2-CD2 4.39Å; V182-Y223 HydrophobicContact CG2-CE1 3.91Å; V182-Y223 HydrophobicContact CG2-CE2 3.95Å
183I92.9Very high89.6Confident21 Ų2146 Ų4611%0.10823%0.233CC..Hα-helixtrans-66.6-45.9176.4-69.2160.2000110.7Q145 V148 Q149 I152 G179 N180 L181 K186 A187Q145-I183 HydrophobicContact CB-CD1 3.55Å; Q145-I183 HydrophobicContact CG-CD1 3.76Å; V148-I183 HydrophobicContact CG1-CB 4.42Å; V148-I183 HydrophobicContact CG1-CG2 3.82Å; Q149-I183 HydrophobicContact CG-CD1 4.04Å; Q149-I183 HydrophobicContact CG-CG1 4.36Å; Q149-I183 HydrophobicContact CG-CG2 3.77Å; I152-I183 HydrophobicContact CD1-CG2 3.8Å; G179-I183 WeakPolarHBondContact O-CD1 3.42Å; G179-I183 VanDerWaalsContact O-CG1 3.28Å; G179-I183 WeakPolarHBondContact O-CG1 3.34Å; G179-I183 PolarHBondContact O-N 3.36Å; G179-I183 VanDerWaalsContact O-N 3.11Å; N180-I183 PolarHBondContact O-N 3.37Å; L181-I183 VanDerWaalsContact C-N 3.31Å; L181-I183 PolarHBondContact O-N 3.5Å; I183-K186 PolarHBondContact O-N 3.12Å; I183-A187 WeakPolarHBondContact O-CB 3.46Å; I183-A187 PolarHBondContact O-N 3.36Å
184L91.8Very high89.2Confident2 Ų250.2 Ų50.21%0.0126%0.261CS..Hα-helixtrans-65.3-42.2178.4-70.2164000112L136 A140 V148 I152 L158 I169 A172 N180 L181 A187 A188L136-L184 HydrophobicContact CD1-CD2 4.35Å; L136-L184 HydrophobicContact CD2-CD2 4.27Å; L136-L184 HydrophobicContact CG-CD2 4.4Å; A140-L184 HydrophobicContact CB-CD1 3.79Å; V148-L184 HydrophobicContact CG1-CD2 4.07Å; V148-L184 HydrophobicContact CG1-CG 4.01Å; I152-L184 HydrophobicContact CD1-CD2 3.96Å; L158-L184 HydrophobicContact CD2-CD2 3.46Å; L158-L184 VanDerWaalsContact CD2-CD2 3.46Å; I169-L184 HydrophobicContact CB-CB 4.16Å; I169-L184 HydrophobicContact CB-CD1 4.26Å; I169-L184 HydrophobicContact CD1-CB 3.95Å; I169-L184 HydrophobicContact CG1-CB 3.84Å; I169-L184 HydrophobicContact CG1-CD1 4.43Å; A172-L184 HydrophobicContact CB-CD1 3.98Å; N180-L184 WeakPolarHBondContact O-CB 3.41Å; N180-L184 WeakPolarHBondContact O-CD1 3.27Å; N180-L184 VanDerWaalsContact O-CG 3.27Å; N180-L184 WeakPolarHBondContact O-CG 3.47Å; N180-L184 PolarHBondContact O-N 3.04Å; L181-L184 PolarHBondContact O-N 3.46Å; L184-A187 PolarHBondContact O-N 2.9Å; L184-A188 WeakPolarHBondContact O-CB 3.46Å; L184-A188 PolarHBondContact O-N 3.43Å
185L90.9Very high88.8Confident8 Ų851 Ų514%0.04226%0.264CS..Hα-helixtrans-58.8-47.3173.3-76.2173.9000111.7I169 L181 A188 K189 W198 Y223 L224 Y229I169-L185 HydrophobicContact CD1-CD2 3.61Å; I169-L185 HydrophobicContact CD1-CG 3.85Å; L181-L185 HydrophobicContact CD1-CD1 4.01Å; L181-L185 HydrophobicContact CD1-CG 3.97Å; L181-L185 HydrophobicContact CG-CD1 3.98Å; L181-L185 HydrophobicContact CG-CG 4.37Å; L181-L185 WeakPolarHBondContact O-CB 3.27Å; L181-L185 WeakPolarHBondContact O-CG 3.42Å; L181-L185 PolarHBondContact O-N 3Å; L185-A188 PolarHBondContact O-N 3.41Å; L185-K189 WeakPolarHBondContact O-CG 3.36Å; L185-K189 PolarHBondContact O-N 2.82Å; L185-W198 HydrophobicContact CD2-CH2 3.75Å; L185-W198 HydrophobicContact CD2-CZ3 3.49Å; L185-W198 VanDerWaalsContact CD2-CZ3 3.49Å; L185-Y223 HydrophobicContact CD1-CD1 4.26Å; L185-Y223 HydrophobicContact CD1-CE1 3.65Å; L185-L224 HydrophobicContact CD1-CD2 4.45Å; L185-Y229 HydrophobicContact CD2-CE2 4.02Å
186K90.8Very high88.3Confident130 Ų13054.5 Ų54.557%0.56528%0.278SS*.Hα-helixtrans-61.7-45.6176.7-75.4175179.1-176.10111.3V182 I183 A188 K189 I190V182-K186 HydrophobicContact CG1-CD 4.17Å; V182-K186 WeakPolarHBondContact O-CB 3.42Å; V182-K186 VanDerWaalsContact O-CG 3.27Å; V182-K186 WeakPolarHBondContact O-CG 3.21Å; V182-K186 PolarHBondContact O-N 3.08Å; I183-K186 PolarHBondContact O-N 3.12Å; K186-A188 PolarHBondContact O-N 2.89Å; K186-K189 PolarHBondContact O-N 2.86Å; K186-I190 WeakPolarHBondContact O-CB 3.4Å; K186-I190 WeakPolarHBondContact O-CD1 3.31Å; K186-I190 WeakPolarHBondContact O-CG1 3.35Å; K186-I190 PolarHBondContact O-N 3.32Å
187A90.9Very high87.7Confident11 Ų1157.7 Ų57.79%0.09129%0.292CS..Hα-helixtrans-64-40.2179.400000112.9I152 L158 I183 L184 I190 R191I152-A187 HydrophobicContact CD1-CB 3.9Å; I152-A187 HydrophobicContact CG2-CB 3.84Å; L158-A187 HydrophobicContact CD1-CB 3.88Å; L158-A187 HydrophobicContact CD2-CB 4.26Å; I183-A187 WeakPolarHBondContact O-CB 3.46Å; I183-A187 PolarHBondContact O-N 3.36Å; L184-A187 PolarHBondContact O-N 2.9Å; A187-I190 PolarHBondContact O-N 2.86Å; A187-R191 WeakPolarHBondContact O-CB 3.5Å; A187-R191 WeakPolarHBondContact O-CG 3.49Å; A187-R191 PolarHBondContact O-N 2.88Å
188A88.5Confident87.2Confident2 Ų253.9 Ų53.92%0.01728%0.278CS..Hα-helixtrans-65.2-41.4176.400000112L158 L184 L185 K186 R191 S192 I193 W198L158-A188 HydrophobicContact CD1-CB 4.42Å; L184-A188 WeakPolarHBondContact O-CB 3.46Å; L184-A188 PolarHBondContact O-N 3.43Å; L185-A188 PolarHBondContact O-N 3.41Å; K186-A188 PolarHBondContact O-N 2.89Å; A188-R191 PolarHBondContact O-N 2.92Å; A188-S192 PolarHBondContact O-N 3.05Å; A188-I193 PolarHBondContact O-N 3.13Å; A188-I193 VanDerWaalsContact O-N 3.14Å; A188-W198 HydrophobicContact CB-CD2 4.02Å; A188-W198 HydrophobicContact CB-CE3 4.48Å; A188-W198 HydrophobicContact CB-CG 4.48Å; A188-W198 HydrophobicContact CB-CH2 4.45Å; A188-W198 HydrophobicContact CB-CZ2 3.96Å
189K86.9Confident86.8Confident120 Ų12051.3 Ų51.352%0.52226%0.264SS..Hα-helixtrans-65.2-44.2174.2-71.1-173.8-179.7-159.90112.4L185 K186 R191 S192 Y229L185-K189 WeakPolarHBondContact O-CG 3.36Å; L185-K189 PolarHBondContact O-N 2.82Å; K186-K189 PolarHBondContact O-N 2.86Å; K189-R191 VanDerWaalsContact C-N 3.3Å; K189-R191 PolarHBondContact O-N 2.99Å; K189-S192 PolarHBondContact O-N 3.11Å; K189-Y229 WeakPolarHBondContact CE-OH 3.28Å; K189-Y229 PolarHBondContact NZ-OH 3.25Å; K189-Y229 VanDerWaalsContact NZ-OH 3.08Å
190I88.6Confident86.5Confident145 Ų14551.1 Ų51.174%0.74426%0.257SS*.Hα-helixtrans-61.4-38.7176.6-70.2162.8000111.5K186 A187 S192K186-I190 WeakPolarHBondContact O-CB 3.4Å; K186-I190 WeakPolarHBondContact O-CD1 3.31Å; K186-I190 WeakPolarHBondContact O-CG1 3.35Å; K186-I190 PolarHBondContact O-N 3.32Å; A187-I190 PolarHBondContact O-N 2.86Å; I190-S192 PolarHBondContact O-N 3.2Å
191R86Confident86.1Confident97 Ų9751.3 Ų51.337%0.36626%0.258SS..THydrogen-bonded Turntrans-81.65.7175.7-68.6-172.8-173.2166.9-0.1114I152 S156 A187 A188 K189 I193I152-R191 PolarHBondContact O-NH2 3.34Å; S156-R191 PolarHBondContact O-NH1 2.85Å; A187-R191 WeakPolarHBondContact O-CB 3.5Å; A187-R191 WeakPolarHBondContact O-CG 3.49Å; A187-R191 PolarHBondContact O-N 2.88Å; A188-R191 PolarHBondContact O-N 2.92Å; K189-R191 VanDerWaalsContact C-N 3.3Å; K189-R191 PolarHBondContact O-N 2.99Å; R191-I193 HydrophobicContact CB-CD1 3.87Å; R191-I193 HydrophobicContact CB-CG1 3.65Å; R191-I193 PolarHBondContact O-N 3.14Å; R191-I193 VanDerWaalsContact O-N 3.13Å
192S84.2Confident85.6Confident103 Ų10354.7 Ų54.772%0.7228%0.282SS*.THydrogen-bonded Turntrans51.233.9179.2-169.70000114.5A188 K189 I190A188-S192 PolarHBondContact O-N 3.05Å; K189-S192 PolarHBondContact O-N 3.11Å; I190-S192 PolarHBondContact O-N 3.2Å
193I81.5Confident85Confident32 Ų3256.8 Ų56.816%0.16430%0.298CS..  trans-77.5128.9-172.8-51.3179.8000109.7L158 T159 A188 R191 E195 Q197 W198L158-I193 HydrophobicContact CB-CD1 4.03Å; L158-I193 HydrophobicContact CD1-CD1 3.83Å; T159-I193 HydrophobicContact CG2-CD1 4.08Å; T159-I193 HydrophobicContact CG2-CG2 3.54Å; A188-I193 PolarHBondContact O-N 3.13Å; A188-I193 VanDerWaalsContact O-N 3.14Å; R191-I193 HydrophobicContact CB-CD1 3.87Å; R191-I193 HydrophobicContact CB-CG1 3.65Å; R191-I193 PolarHBondContact O-N 3.14Å; R191-I193 VanDerWaalsContact O-N 3.13Å; I193-E195 PolarHBondContact O-N 3.35Å; I193-Q197 HydrophobicContact CG2-CB 4.25Å; I193-W198 PolarHBondContact O-NE1 3.15Å
194P82.1Confident84.4Confident92 Ų9256 Ų5660%0.59729%0.294SS*.  trans-52.7126.4177.1-27.134.8000112.3K196 Q197 W198P194-K196 PolarHBondContact O-N 3.31Å; P194-K196 VanDerWaalsContact O-N 3.12Å; P194-Q197 VanDerWaalsContact O-CB 3.28Å; P194-Q197 WeakPolarHBondContact O-CB 3.44Å; P194-Q197 PolarHBondContact O-N 2.85Å; P194-W198 VanDerWaalsContact O-CD1 3.29Å; P194-W198 PolarHBondContact O-NE1 3.06Å
195E80.9Confident84.1Confident83 Ų8359.1 Ų59.139%0.38831%0.306SS..Hα-helixtrans-52.5-39.8-172.9-66.6-154.7144.800113.2I193 Q197 W198 M199 Y229I193-E195 PolarHBondContact O-N 3.35Å; E195-Q197 PolarHBondContact O-N 3.24Å; E195-Q197 VanDerWaalsContact O-N 3.07Å; E195-W198 HydrophobicContact CB-CZ2 4.36Å; E195-W198 HydrophobicContact CG-CZ2 3.89Å; E195-W198 PolarHBondContact O-N 2.98Å; E195-M199 HydrophobicContact CB-CG 4.34Å; E195-M199 HydrophobicContact CB-SD 3.63Å; E195-M199 HydrophobicContact CG-SD 4.06Å; E195-M199 WeakPolarHBondContact O-CB 3.39Å; E195-M199 WeakPolarHBondContact O-CG 3.25Å; E195-M199 PolarHBondContact O-N 3.2Å; E195-Y229 WeakPolarHBondContact OE1-CE1 3.47Å; E195-Y229 PolarHBondContact OE1-OH 3.12Å
196K76.8Confident83.9Confident84 Ų8458.7 Ų58.737%0.36530%0.304SS..Hα-helixtrans-53.5-31.6176.6-50.8-173.987.7179.50114.1P194 Q359P194-K196 PolarHBondContact O-N 3.31Å; P194-K196 VanDerWaalsContact O-N 3.12Å; K196-Q359 HydrophobicContact CD-CG 4.43Å; K196-Q359 PolarHBondContact NZ-O 3.12Å
197Q77.5Confident83.8Confident90 Ų9052.5 Ų52.542%0.42128%0.277SS..Hα-helixtrans-71.8-36.9-172.7-16864.117.900111.7T159 R161 I193 P194 E195T159-Q197 HydrophobicContact CG2-CB 4.32Å; T159-Q197 HydrophobicContact CG2-CG 3.6Å; R161-Q197 PolarHBondContact NH2-O 2.94Å; I193-Q197 HydrophobicContact CG2-CB 4.25Å; P194-Q197 VanDerWaalsContact O-CB 3.28Å; P194-Q197 WeakPolarHBondContact O-CB 3.44Å; P194-Q197 PolarHBondContact O-N 2.85Å; E195-Q197 PolarHBondContact O-N 3.24Å; E195-Q197 VanDerWaalsContact O-N 3.07Å
198W79.4Confident83.7Confident3 Ų352 Ų521%0.01127%0.273CS..Hα-helixtrans-111.6-15.6-173.652.6-87.9000114.8T167 I169 L185 A188 I193 P194 E195 L207T167-W198 PolarHBondContact OG1-O 3.46Å; I169-W198 HydrophobicContact CD1-CE3 3.63Å; I169-W198 HydrophobicContact CD1-CZ3 3.65Å; I169-W198 HydrophobicContact CG2-CB 4.41Å; I169-W198 HydrophobicContact CG2-CE3 4.05Å; I169-W198 WeakPolarHBondContact CG2-O 3.21Å; L185-W198 HydrophobicContact CD2-CH2 3.75Å; L185-W198 HydrophobicContact CD2-CZ3 3.49Å; L185-W198 VanDerWaalsContact CD2-CZ3 3.49Å; A188-W198 HydrophobicContact CB-CD2 4.02Å; A188-W198 HydrophobicContact CB-CE3 4.48Å; A188-W198 HydrophobicContact CB-CG 4.48Å; A188-W198 HydrophobicContact CB-CH2 4.45Å; A188-W198 HydrophobicContact CB-CZ2 3.96Å; I193-W198 PolarHBondContact O-NE1 3.15Å; P194-W198 VanDerWaalsContact O-CD1 3.29Å; P194-W198 PolarHBondContact O-NE1 3.06Å; E195-W198 HydrophobicContact CB-CZ2 4.36Å; E195-W198 HydrophobicContact CG-CZ2 3.89Å; E195-W198 PolarHBondContact O-N 2.98Å; W198-L207 HydrophobicContact CE3-CD2 4.44Å; W198-L207 HydrophobicContact CZ3-CD2 4.19Å
199M83.4Confident83.6Confident1 Ų152.2 Ų52.21%0.00527%0.274CS..Hα-helixtrans-97.4-4.7-174-61.6-17288.300116.6E195 H206 L207 Y229E195-M199 HydrophobicContact CB-CG 4.34Å; E195-M199 HydrophobicContact CB-SD 3.63Å; E195-M199 HydrophobicContact CG-SD 4.06Å; E195-M199 WeakPolarHBondContact O-CB 3.39Å; E195-M199 WeakPolarHBondContact O-CG 3.25Å; E195-M199 PolarHBondContact O-N 3.2Å; M199-H206 WeakPolarHBondContact CE-CE1 3.47Å; M199-H206 CarbonylContact O-C 3.39Å; M199-H206 WeakPolarHBondContact O-CA 3.2Å; M199-H206 PolarHBondContact O-ND1 3.44Å; M199-H206 VanDerWaalsContact O-ND1 3.14Å; M199-L207 HydrophobicContact CB-CD2 4.13Å; M199-L207 HydrophobicContact CB-CG 4.44Å; M199-L207 HydrophobicContact CE-CD1 4.46Å; M199-L207 HydrophobicContact CE-CD2 3.68Å; M199-L207 HydrophobicContact CE-CG 4.03Å; M199-L207 HydrophobicContact CG-CD2 3.91Å; M199-L207 PolarHBondContact O-N 2.86Å; M199-Y229 HydrophobicContact CE-CD1 3.32Å; M199-Y229 HydrophobicContact CE-CD2 3.83Å; M199-Y229 HydrophobicContact CE-CE1 3.48Å; M199-Y229 VanDerWaalsContact CE-CE1 3.48Å; M199-Y229 HydrophobicContact CE-CE2 3.99Å; M199-Y229 HydrophobicContact CE-CG 3.5Å; M199-Y229 VanDerWaalsContact CE-CG 3.5Å; M199-Y229 HydrophobicContact SD-CD1 4.18Å; M199-Y229 HydrophobicContact SD-CE1 3.92Å
200Y84.4Confident83.6Confident18 Ų1847.7 Ų47.77%0.07125%0.254CS..BIsolated β-bridgetrans-130.8142.4-177.7-63.8-98000110.5Y205 H206 F360Y200-Y205 WeakPolarHBondContact CA-O 3.34Å; Y200-H206 HydrophobicContact CD1-CB 4.14Å; Y200-H206 HydrophobicContact CE1-CB 3.84Å; Y200-H206 AromaticContact CE1-ND1 3.78Å; Y200-H206 AromaticContact CE2-ND1 3.69Å; Y200-H206 AromaticContact CZ-ND1 3.51Å; Y200-F360 HydrophobicContact CE1-CE2 4.48Å; Y200-F360 HydrophobicContact CE1-CZ 4.26Å
201D84.9Confident83.6Confident7 Ų741 Ų414%0.03722%0.221CC..  trans-83.6-178.9171.573.310000112.8L166 I170 S203 G204 Y205 H210L166-D201 HydrophobicContact CD2-CB 3.71Å; I170-D201 HydrophobicContact CD1-CB 4.38Å; D201-S203 PolarHBondContact O-N 3.03Å; D201-S203 VanDerWaalsContact OD1-CA 3.31Å; D201-S203 WeakPolarHBondContact OD1-CA 3.38Å; D201-S203 WeakPolarHBondContact OD1-CB 3.39Å; D201-S203 PolarHBondContact OD1-N 3.46Å; D201-G204 PolarHBondContact O-N 3.41Å; D201-G204 PolarHBondContact OD1-N 3Å; D201-Y205 PolarHBondContact N-O 3.4Å; D201-Y205 PolarHBondContact OD1-N 2.92Å; D201-Y205 WeakPolarHBondContact OD2-CB 3.48Å; D201-H210 IonicContact OD2-CD2 3.69Å; D201-H210 IonicContact OD2-CE1 3.89Å; D201-H210 PolarHBondContact OD2-CE1 2.99Å; D201-H210 IonicContact OD2-NE2 3.91Å; D201-H210 PolarHBondContact OD2-NE2 2.71Å
202S82.1Confident83.6Confident71 Ų7136.4 Ų36.450%0.49720%0.203SC..THydrogen-bonded Turntrans-68.9-14.8177.3-68.80000114.3Y164 G165Y164-S202 WeakPolarHBondContact O-CB 3.38Å; Y164-S202 PolarHBondContact O-N 3.39Å; G165-S202 VanDerWaalsContact CA-OG 3.27Å; G165-S202 WeakPolarHBondContact CA-OG 3.45Å
203S80Confident83.5Confident73 Ų7335 Ų3551%0.5119%0.187SC..THydrogen-bonded Turntrans-92.8-7.8177.9-590000112.7D201 S235D201-S203 PolarHBondContact O-N 3.03Å; D201-S203 VanDerWaalsContact OD1-CA 3.31Å; D201-S203 WeakPolarHBondContact OD1-CA 3.38Å; D201-S203 WeakPolarHBondContact OD1-CB 3.39Å; D201-S203 PolarHBondContact OD1-N 3.46Å; S203-S235 WeakPolarHBondContact O-CB 3.36Å; S203-S235 PolarHBondContact O-OG 3.1Å
204G81.9Confident83.5Confident3 Ų339 Ų393%0.03120%0.203CC..  trans88.49.6-177.200000114.5D201 H206 D234D201-G204 PolarHBondContact O-N 3.41Å; D201-G204 PolarHBondContact OD1-N 3Å; G204-H206 PolarHBondContact O-N 3.46Å; G204-D234 WeakPolarHBondContact O-CA 3.15Å
205Y85.5Confident83.6Confident68 Ų6835.7 Ų35.727%0.26718%0.181SC..  trans-73.5122.8172.3-68.7-74.6000110.5Y200 D201 H209 D234 H243Y200-Y205 WeakPolarHBondContact CA-O 3.34Å; D201-Y205 PolarHBondContact N-O 3.4Å; D201-Y205 PolarHBondContact OD1-N 2.92Å; D201-Y205 WeakPolarHBondContact OD2-CB 3.48Å; Y205-H209 HydrophobicContact CD1-CB 3.95Å; Y205-D234 HydrophobicContact CD1-CB 3.8Å; Y205-D234 HydrophobicContact CE1-CB 4.16Å; Y205-D234 VanDerWaalsContact CE1-OD2 3.31Å; Y205-D234 WeakPolarHBondContact CE1-OD2 3.38Å; Y205-H243 AromaticContact CE1-CE1 3.56Å; Y205-H243 AromaticContact CE1-NE2 3.73Å
206H86.6Confident83.5Confident0 Ų038.9 Ų38.90%020%0.2CC..BIsolated β-bridgetrans-63.3150.7166.2-167.657.3000112M199 Y200 G204 I208 H209 N232M199-H206 WeakPolarHBondContact CE-CE1 3.47Å; M199-H206 CarbonylContact O-C 3.39Å; M199-H206 WeakPolarHBondContact O-CA 3.2Å; M199-H206 PolarHBondContact O-ND1 3.44Å; M199-H206 VanDerWaalsContact O-ND1 3.14Å; Y200-H206 HydrophobicContact CD1-CB 4.14Å; Y200-H206 HydrophobicContact CE1-CB 3.84Å; Y200-H206 AromaticContact CE1-ND1 3.78Å; Y200-H206 AromaticContact CE2-ND1 3.69Å; Y200-H206 AromaticContact CZ-ND1 3.51Å; G204-H206 PolarHBondContact O-N 3.46Å; H206-I208 HydrophobicContact CB-CG2 4.39Å; H206-I208 PolarHBondContact O-N 3.48Å; H206-H209 PolarHBondContact N-ND1 3.3Å; H206-H209 WeakPolarHBondContact O-CB 3.43Å; H206-H209 PolarHBondContact O-N 2.77Å; H206-H209 PolarHBondContact O-ND1 3.37Å; H206-N232 HydrophobicContact CB-CB 4.22Å; H206-N232 VanDerWaalsContact CD2-CB 3.45Å; H206-N232 WeakPolarHBondContact CD2-CB 3.49Å; H206-N232 PolarHBondContact CE1-ND2 2.98Å; H206-N232 PolarHBondContact NE2-ND2 3.19Å
207L88.4Confident83.8Confident0 Ų038.8 Ų38.80%020%0.197CC..Hα-helixtrans-53.4-25.2-178.565.971.4000114.8I169 I170 W198 M199 H209 H210 L224I169-L207 HydrophobicContact CD1-CD2 4.45Å; I169-L207 HydrophobicContact CG2-CD2 4.49Å; I170-L207 HydrophobicContact CG1-CB 3.91Å; W198-L207 HydrophobicContact CE3-CD2 4.44Å; W198-L207 HydrophobicContact CZ3-CD2 4.19Å; M199-L207 HydrophobicContact CB-CD2 4.13Å; M199-L207 HydrophobicContact CB-CG 4.44Å; M199-L207 HydrophobicContact CE-CD1 4.46Å; M199-L207 HydrophobicContact CE-CD2 3.68Å; M199-L207 HydrophobicContact CE-CG 4.03Å; M199-L207 HydrophobicContact CG-CD2 3.91Å; M199-L207 PolarHBondContact O-N 2.86Å; L207-H209 VanDerWaalsContact C-N 3.35Å; L207-H209 PolarHBondContact O-N 2.87Å; L207-H210 PolarHBondContact O-N 3.3Å; L207-L224 HydrophobicContact CD1-CD1 3.38Å; L207-L224 HydrophobicContact CD1-CD2 3.65Å; L207-L224 HydrophobicContact CD1-CG 4.13Å
208I87.4Confident84.1Confident1 Ų135.3 Ų35.31%0.00518%0.182CC..Hα-helixtrans-68.1-34.5177.3-160.5168.6000111.8H206 H210 T211 L221 L224 A240H206-I208 HydrophobicContact CB-CG2 4.39Å; H206-I208 PolarHBondContact O-N 3.48Å; I208-H210 VanDerWaalsContact C-N 3.25Å; I208-H210 PolarHBondContact O-N 2.94Å; I208-T211 WeakPolarHBondContact O-CB 3.31Å; I208-T211 PolarHBondContact O-N 3.12Å; I208-T211 VanDerWaalsContact O-N 3.11Å; I208-T211 PolarHBondContact O-OG1 3.44Å; I208-L221 HydrophobicContact CD1-CD1 4.16Å; I208-L221 HydrophobicContact CG1-CD1 3.85Å; I208-L224 HydrophobicContact CD1-CB 4.15Å; I208-L224 HydrophobicContact CG1-CB 4.28Å; I208-A240 HydrophobicContact CD1-CB 4.15Å; I208-A240 HydrophobicContact CG1-CB 4.29Å; I208-A240 HydrophobicContact CG2-CB 4.21Å
209H88.1Confident84.5Confident6 Ų641.4 Ų41.43%0.02821%0.208CC..Hα-helixtrans-67.4-29.9177.6-54.6110.7000111.6Y205 H206 L207 T211 L212 Q238 A240 H243Y205-H209 HydrophobicContact CD1-CB 3.95Å; H206-H209 PolarHBondContact N-ND1 3.3Å; H206-H209 WeakPolarHBondContact O-CB 3.43Å; H206-H209 PolarHBondContact O-N 2.77Å; H206-H209 PolarHBondContact O-ND1 3.37Å; L207-H209 VanDerWaalsContact C-N 3.35Å; L207-H209 PolarHBondContact O-N 2.87Å; H209-T211 VanDerWaalsContact C-N 3.29Å; H209-T211 PolarHBondContact O-N 2.84Å; H209-L212 WeakPolarHBondContact O-CB 3.49Å; H209-L212 PolarHBondContact O-N 3.18Å; H209-L212 VanDerWaalsContact O-N 3.12Å; H209-Q238 PolarHBondContact NE2-O 3.15Å; H209-A240 PolarHBondContact NE2-N 3.05Å; H209-H243 AromaticContact CD2-CD2 3.34Å; H209-H243 PolarHBondContact CD2-CD2 3.34Å; H209-H243 AromaticContact NE2-CD2 3.99Å
210H86.9Confident84.8Confident24 Ų2441.3 Ų41.311%0.11121%0.208CC..Hα-helixtrans-72.6-15.7173.8-75.7-74000114L166 I170 D201 L207 I208 L212 L213L166-H210 VanDerWaalsContact CD2-CE1 3.4Å; L166-H210 WeakPolarHBondContact CD2-CE1 3.41Å; I170-H210 HydrophobicContact CG2-CB 3.72Å; I170-H210 VanDerWaalsContact CG2-CG 3.45Å; D201-H210 IonicContact OD2-CD2 3.69Å; D201-H210 IonicContact OD2-CE1 3.89Å; D201-H210 PolarHBondContact OD2-CE1 2.99Å; D201-H210 IonicContact OD2-NE2 3.91Å; D201-H210 PolarHBondContact OD2-NE2 2.71Å; L207-H210 PolarHBondContact O-N 3.3Å; I208-H210 VanDerWaalsContact C-N 3.25Å; I208-H210 PolarHBondContact O-N 2.94Å; H210-L212 VanDerWaalsContact C-N 3.33Å; H210-L213 VanDerWaalsContact O-CD1 3.31Å; H210-L213 WeakPolarHBondContact O-CD1 3.41Å; H210-L213 WeakPolarHBondContact O-CG 3.36Å
211T87Confident84.9Confident6 Ų640.5 Ų40.54%0.03721%0.205CC..Hα-helixtrans-72.2-29.7166.469.80000112C173 I208 H209 L213 C220 L221 L224C173-T211 HydrophobicContact CB-CG2 3.81Å; I208-T211 WeakPolarHBondContact O-CB 3.31Å; I208-T211 PolarHBondContact O-N 3.12Å; I208-T211 VanDerWaalsContact O-N 3.11Å; I208-T211 PolarHBondContact O-OG1 3.44Å; H209-T211 VanDerWaalsContact C-N 3.29Å; H209-T211 PolarHBondContact O-N 2.84Å; T211-L213 PolarHBondContact O-N 3.37Å; T211-C220 HydrophobicContact CG2-CB 3.78Å; T211-L221 WeakPolarHBondContact OG1-CD1 3.47Å; T211-L224 HydrophobicContact CG2-CD1 3.81Å
212L86Confident85Confident0 Ų043.8 Ų43.80%022%0.22CC..THydrogen-bonded Turntrans-81.947.1-176.5-60172.3000111.9H209 H210 L221 A240 H243 A244 K247 F249 A252H209-L212 WeakPolarHBondContact O-CB 3.49Å; H209-L212 PolarHBondContact O-N 3.18Å; H209-L212 VanDerWaalsContact O-N 3.12Å; H210-L212 VanDerWaalsContact C-N 3.33Å; L212-L221 HydrophobicContact CD2-CD1 4.11Å; L212-L221 HydrophobicContact CD2-CD2 3.79Å; L212-A240 HydrophobicContact CD1-CB 4.07Å; L212-A240 WeakPolarHBondContact CD1-O 3.2Å; L212-H243 HydrophobicContact CD1-CB 3.64Å; L212-A244 HydrophobicContact CD1-CB 4.36Å; L212-A244 HydrophobicContact CD2-CB 4.21Å; L212-K247 WeakPolarHBondContact O-CD 3.42Å; L212-K247 WeakPolarHBondContact O-CE 3.41Å; L212-K247 PolarHBondContact O-NZ 2.75Å; L212-F249 WeakPolarHBondContact O-CE2 3.41Å; L212-A252 HydrophobicContact CD2-CB 3.6Å
213L82.1Confident85.3Confident72 Ų7244.9 Ų44.938%0.37721%0.214SC..THydrogen-bonded Turntrans-97.9-24.5174.1-69.6170.8000112.5Q174 H210 T211Q174-L213 HydrophobicContact CB-CD1 3.94Å; Q174-L213 HydrophobicContact CG-CD1 3.51Å; H210-L213 VanDerWaalsContact O-CD1 3.31Å; H210-L213 WeakPolarHBondContact O-CD1 3.41Å; H210-L213 WeakPolarHBondContact O-CG 3.36Å; T211-L213 PolarHBondContact O-N 3.37Å
214K83.2Confident85.5Confident116 Ų11641.4 Ų41.450%0.50419%0.189SC..  trans-149.6137.3176.1-58.9-169.3178-160.30110.8D216K214-D216 PolarHBondContact O-N 2.87Å
215D82.4Confident85.5Confident24 Ų2441.6 Ų41.613%0.12819%0.19CC..THydrogen-bonded Turntrans-70.6-17.2178.5-158.346.1000113.3R217 L218 F249 P250 N251 A252D215-R217 PolarHBondContact O-N 3.14Å; D215-L218 WeakPolarHBondContact O-CD1 3.46Å; D215-L218 VanDerWaalsContact O-CG 3.25Å; D215-L218 WeakPolarHBondContact O-CG 3.47Å; D215-F249 HydrophobicContact CB-CB 4.06Å; D215-F249 HydrophobicContact CB-CD1 3.79Å; D215-F249 HydrophobicContact CB-CE1 4.37Å; D215-F249 HydrophobicContact CB-CG 3.88Å; D215-F249 WeakPolarHBondContact OD1-CB 3.25Å; D215-P250 WeakPolarHBondContact OD2-CD 3.46Å; D215-N251 PolarHBondContact OD1-N 3.3Å; D215-N251 WeakPolarHBondContact OD2-CB 3.43Å; D215-N251 PolarHBondContact OD2-N 2.92Å; D215-N251 PolarHBondContact OD2-ND2 2.96Å; D215-A252 PolarHBondContact OD1-N 3.28Å
216D79.9Confident85.2Confident149 Ų14942.4 Ų42.480%0.79720%0.199SC*.THydrogen-bonded Turntrans-77.1-6.9-179.3-46.2-34.8000114.1K214K214-D216 PolarHBondContact O-N 2.87Å
217R81.7Confident84.7Confident82 Ų8243.7 Ų43.731%0.30921%0.209SC..  trans-13670.8-159.7-74.3-169.1-177.2-162-5.9112.3D176 D215D176-R217 HydrophobicContact CB-CB 3.73Å; D176-R217 HydrophobicContact CB-CG 4.27Å; D176-R217 VanDerWaalsContact CG-C 3.43Å; D176-R217 VanDerWaalsContact OD2-C 3.22Å; D176-R217 WeakPolarHBondContact OD2-CA 3.42Å; D215-R217 PolarHBondContact O-N 3.14Å
218L85.2Confident83.8Confident18 Ų1851.4 Ų51.49%0.09424%0.244CC..  trans-114.811.7-165.2-53.1177000114.4D176 D215 L221 E222 N251 A252 I255D176-L218 PolarHBondContact OD2-N 3.47Å; D215-L218 WeakPolarHBondContact O-CD1 3.46Å; D215-L218 VanDerWaalsContact O-CG 3.25Å; D215-L218 WeakPolarHBondContact O-CG 3.47Å; L218-L221 HydrophobicContact CB-CB 4.37Å; L218-L221 HydrophobicContact CB-CD2 4.5Å; L218-L221 HydrophobicContact CD2-CD2 3.9Å; L218-L221 WeakPolarHBondContact O-CB 3.37Å; L218-L221 PolarHBondContact O-N 2.95Å; L218-E222 WeakPolarHBondContact O-CB 3.28Å; L218-E222 PolarHBondContact O-N 3.05Å; L218-N251 HydrophobicContact CD1-CB 3.72Å; L218-A252 HydrophobicContact CD1-CB 4.28Å; L218-A252 HydrophobicContact CD2-CB 3.9Å; L218-I255 HydrophobicContact CB-CD1 3.61Å; L218-I255 HydrophobicContact CD1-CD1 3.72Å; L218-I255 HydrophobicContact CG-CD1 4.32Å
219K87.8Confident83.1Confident130 Ų13051.7 Ų51.757%0.56525%0.246SC*.Hα-helixtrans-68.5-40.4-177.5-61.8176.6-179.1175.50111.9D176 L178 Y223D176-K219 WeakPolarHBondContact OD1-CA 3.04Å; D176-K219 WeakPolarHBondContact OD1-CB 3.48Å; D176-K219 PolarHBondContact OD1-N 3.17Å; D176-K219 PolarHBondContact OD2-N 2.94Å; L178-K219 HydrophobicContact CB-CB 4.23Å; L178-K219 HydrophobicContact CD2-CB 4.28Å; K219-Y223 PolarHBondContact O-N 3.26Å; K219-Y223 VanDerWaalsContact O-N 3.15Å
220C88.9Confident82Confident0 Ų051.8 Ų51.80%025%0.248CC..Hα-helixtrans-65.3-41.3171.3-75.70000111.1D176 L181 T211 Y223 L224D176-C220 WeakPolarHBondContact OD1-CB 3.44Å; D176-C220 PolarHBondContact OD1-N 3.44Å; L181-C220 HydrophobicContact CD2-CB 3.83Å; L181-C220 VanDerWaalsContact CD2-SG 3.54Å; T211-C220 HydrophobicContact CG2-CB 3.78Å; C220-Y223 PolarHBondContact O-N 2.91Å; C220-L224 WeakPolarHBondContact O-CB 3.35Å; C220-L224 WeakPolarHBondContact O-CD1 3.26Å; C220-L224 WeakPolarHBondContact O-CG 3.48Å; C220-L224 PolarHBondContact O-N 3.07Å
221L87.9Confident81.1Confident0 Ų054.5 Ų54.50%026%0.263CS..Hα-helixtrans-60.6-51.2176.1179.869.1000111.2I208 T211 L212 L218 Y223 L224 S225 A252 I255 I256I208-L221 HydrophobicContact CD1-CD1 4.16Å; I208-L221 HydrophobicContact CG1-CD1 3.85Å; T211-L221 WeakPolarHBondContact OG1-CD1 3.47Å; L212-L221 HydrophobicContact CD2-CD1 4.11Å; L212-L221 HydrophobicContact CD2-CD2 3.79Å; L218-L221 HydrophobicContact CB-CB 4.37Å; L218-L221 HydrophobicContact CB-CD2 4.5Å; L218-L221 HydrophobicContact CD2-CD2 3.9Å; L218-L221 WeakPolarHBondContact O-CB 3.37Å; L218-L221 PolarHBondContact O-N 2.95Å; L221-Y223 VanDerWaalsContact C-N 3.33Å; L221-Y223 PolarHBondContact O-N 3.23Å; L221-L224 PolarHBondContact O-N 3.41Å; L221-L224 VanDerWaalsContact O-N 3.13Å; L221-S225 WeakPolarHBondContact O-CB 3.35Å; L221-S225 PolarHBondContact O-N 2.86Å; L221-S225 PolarHBondContact O-OG 3.25Å; L221-A252 HydrophobicContact CD2-CB 3.75Å; L221-I255 HydrophobicContact CD2-CG2 4.38Å; L221-I255 HydrophobicContact CG-CG2 4.38Å; L221-I256 HydrophobicContact CD1-CD1 4.26Å; L221-I256 HydrophobicContact CD1-CG1 4.1Å; L221-I256 HydrophobicContact CD2-CD1 4.29Å; L221-I256 HydrophobicContact CD2-CG1 4.14Å; L221-I256 HydrophobicContact CG-CG1 4.39Å
222E86.6Confident80.7Confident77 Ų7756.1 Ų56.136%0.3627%0.271SS..Hα-helixtrans-54.6-46.7178.1-179.6178.6-163.100111.9L218 N226 I255 Y259L218-E222 WeakPolarHBondContact O-CB 3.28Å; L218-E222 PolarHBondContact O-N 3.05Å; E222-N226 WeakPolarHBondContact O-CB 3.17Å; E222-N226 PolarHBondContact O-N 2.64Å; E222-N226 VanDerWaalsContact O-N 3.16Å; E222-N226 PolarHBondContact O-ND2 3.5Å; E222-I255 HydrophobicContact CB-CG2 3.97Å; E222-I255 HydrophobicContact CG-CG2 4.46Å; E222-Y259 HydrophobicContact CG-CE2 3.83Å; E222-Y259 PolarHBondContact OE1-OH 3.25Å
223Y86.8Confident80.5Confident93 Ų9357.1 Ų57.137%0.36528%0.277SS..Hα-helixtrans-63.8-41.6177.1-173.9-96.3000112.7L178 V182 L185 K219 C220 L221 S227L178-Y223 VanDerWaalsContact CD1-CB 3.46Å; L178-Y223 HydrophobicContact CD1-CD1 4.12Å; L178-Y223 HydrophobicContact CD1-CD2 4Å; L178-Y223 HydrophobicContact CD1-CG 3.59Å; V182-Y223 HydrophobicContact CG2-CD1 4.35Å; V182-Y223 HydrophobicContact CG2-CD2 4.39Å; V182-Y223 HydrophobicContact CG2-CE1 3.91Å; V182-Y223 HydrophobicContact CG2-CE2 3.95Å; L185-Y223 HydrophobicContact CD1-CD1 4.26Å; L185-Y223 HydrophobicContact CD1-CE1 3.65Å; K219-Y223 PolarHBondContact O-N 3.26Å; K219-Y223 VanDerWaalsContact O-N 3.15Å; C220-Y223 PolarHBondContact O-N 2.91Å; L221-Y223 VanDerWaalsContact C-N 3.33Å; L221-Y223 PolarHBondContact O-N 3.23Å; Y223-S227 PolarHBondContact O-N 2.81Å
224L85.5Confident80.7Confident0 Ų053.9 Ų53.90%026%0.261CS..Hα-helixtrans-75-36.6-178.3-69.1167.3000112.8L181 L185 L207 I208 T211 C220 L221 N226 S227 Y229 G230L181-L224 HydrophobicContact CD2-CD1 4.07Å; L181-L224 HydrophobicContact CD2-CD2 4.35Å; L181-L224 HydrophobicContact CD2-CG 4.13Å; L185-L224 HydrophobicContact CD1-CD2 4.45Å; L207-L224 HydrophobicContact CD1-CD1 3.38Å; L207-L224 HydrophobicContact CD1-CD2 3.65Å; L207-L224 HydrophobicContact CD1-CG 4.13Å; I208-L224 HydrophobicContact CD1-CB 4.15Å; I208-L224 HydrophobicContact CG1-CB 4.28Å; T211-L224 HydrophobicContact CG2-CD1 3.81Å; C220-L224 WeakPolarHBondContact O-CB 3.35Å; C220-L224 WeakPolarHBondContact O-CD1 3.26Å; C220-L224 WeakPolarHBondContact O-CG 3.48Å; C220-L224 PolarHBondContact O-N 3.07Å; L221-L224 PolarHBondContact O-N 3.41Å; L221-L224 VanDerWaalsContact O-N 3.13Å; L224-N226 VanDerWaalsContact C-N 3.33Å; L224-S227 WeakPolarHBondContact CA-OG 3.1Å; L224-S227 PolarHBondContact O-N 3.02Å; L224-S227 VanDerWaalsContact O-N 3.15Å; L224-S227 PolarHBondContact O-OG 3.45Å; L224-Y229 HydrophobicContact CD2-CD2 3.94Å; L224-G230 PolarHBondContact O-N 3.39Å
225S82.4Confident80.8Confident7 Ų751.4 Ų51.45%0.04926%0.257CS..Hα-helixtrans-64-36.5173.4-69.90000112.2L221 S227 K260L221-S225 WeakPolarHBondContact O-CB 3.35Å; L221-S225 PolarHBondContact O-N 2.86Å; L221-S225 PolarHBondContact O-OG 3.25Å; S225-S227 VanDerWaalsContact C-N 3.34Å; S225-K260 VanDerWaalsContact O-CE 3.25Å; S225-K260 WeakPolarHBondContact O-CE 3.4Å
226N78Confident80.9Confident85 Ų8552.4 Ų52.446%0.45526%0.262SS..Hα-helixtrans-66.9-32.7171.4-85.8-68.6000113E222 L224 Y259E222-N226 WeakPolarHBondContact O-CB 3.17Å; E222-N226 PolarHBondContact O-N 2.64Å; E222-N226 VanDerWaalsContact O-N 3.16Å; E222-N226 PolarHBondContact O-ND2 3.5Å; L224-N226 VanDerWaalsContact C-N 3.33Å; N226-Y259 VanDerWaalsContact CG-CD1 3.47Å; N226-Y259 VanDerWaalsContact ND2-CD1 3.31Å; N226-Y259 WeakPolarHBondContact ND2-CD1 3.2Å; N226-Y259 WeakPolarHBondContact ND2-CE1 3.3Å; N226-Y259 WeakPolarHBondContact OD1-CD1 3.25Å
227S76.3Confident81.1Confident28 Ų2846.4 Ų46.420%0.19623%0.234CC..SBendtrans-79.3170.5177.379.60000113.1Y223 L224 S225 Y229 G230 K260Y223-S227 PolarHBondContact O-N 2.81Å; L224-S227 WeakPolarHBondContact CA-OG 3.1Å; L224-S227 PolarHBondContact O-N 3.02Å; L224-S227 VanDerWaalsContact O-N 3.15Å; L224-S227 PolarHBondContact O-OG 3.45Å; S225-S227 VanDerWaalsContact C-N 3.34Å; S227-Y229 PolarHBondContact O-N 3.4Å; S227-Y229 VanDerWaalsContact O-N 3.11Å; S227-Y229 WeakPolarHBondContact OG-CD2 3.28Å; S227-Y229 PolarHBondContact OG-N 2.94Å; S227-G230 PolarHBondContact O-N 3.09Å; S227-K260 WeakPolarHBondContact O-CE 3.24Å; S227-K260 PolarHBondContact O-NZ 3.11Å
228E70Confident81.4Confident161 Ų16142.9 Ų42.975%0.75222%0.222SC*.G310 helixtrans-55.3-29.1176-69.9167.7176.700113G230E228-G230 PolarHBondContact O-N 3.05Å; E228-G230 VanDerWaalsContact O-N 3.1Å
229Y72Confident81.6Confident8 Ų842.1 Ų42.13%0.03122%0.217CC..G310 helixtrans-63.2-16.8-175.8-51.8-43.6000115.9L185 K189 E195 M199 L224 S227 L231 N232L185-Y229 HydrophobicContact CD2-CE2 4.02Å; K189-Y229 WeakPolarHBondContact CE-OH 3.28Å; K189-Y229 PolarHBondContact NZ-OH 3.25Å; K189-Y229 VanDerWaalsContact NZ-OH 3.08Å; E195-Y229 WeakPolarHBondContact OE1-CE1 3.47Å; E195-Y229 PolarHBondContact OE1-OH 3.12Å; M199-Y229 HydrophobicContact CE-CD1 3.32Å; M199-Y229 HydrophobicContact CE-CD2 3.83Å; M199-Y229 HydrophobicContact CE-CE1 3.48Å; M199-Y229 VanDerWaalsContact CE-CE1 3.48Å; M199-Y229 HydrophobicContact CE-CE2 3.99Å; M199-Y229 HydrophobicContact CE-CG 3.5Å; M199-Y229 VanDerWaalsContact CE-CG 3.5Å; M199-Y229 HydrophobicContact SD-CD1 4.18Å; M199-Y229 HydrophobicContact SD-CE1 3.92Å; L224-Y229 HydrophobicContact CD2-CD2 3.94Å; S227-Y229 PolarHBondContact O-N 3.4Å; S227-Y229 VanDerWaalsContact O-N 3.11Å; S227-Y229 WeakPolarHBondContact OG-CD2 3.28Å; S227-Y229 PolarHBondContact OG-N 2.94Å; Y229-L231 PolarHBondContact O-N 3.45Å; Y229-N232 PolarHBondContact O-N 3.32Å
230G64.4Low81.6Confident7 Ų736.1 Ų36.17%0.07219%0.193CC..G310 helixtrans-63.8-2.8-17800000117.4L224 S227 E228L224-G230 PolarHBondContact O-N 3.39Å; S227-G230 PolarHBondContact O-N 3.09Å; E228-G230 PolarHBondContact O-N 3.05Å; E228-G230 VanDerWaalsContact O-N 3.1Å
231L68.6Low81.7Confident82 Ų8236.1 Ų36.143%0.42919%0.193SC..G310 helixtrans-110.3-1.6-176.7-60.7179.1000114.5Y229 K260 L265Y229-L231 PolarHBondContact O-N 3.45Å; L231-K260 HydrophobicContact CD2-CD 4.18Å; L231-K260 HydrophobicContact CG-CD 4.39Å; L231-L265 HydrophobicContact CD2-CD1 4.15Å; L231-L265 HydrophobicContact CD2-CD2 3.96Å; L231-L265 HydrophobicContact CD2-CG 4.11Å
232N78.9Confident81.9Confident39 Ų3936.1 Ų36.121%0.20919%0.193CC..  trans-73.7147.9-175.5-73.9-35.6000112.7H206 Y229H206-N232 HydrophobicContact CB-CB 4.22Å; H206-N232 VanDerWaalsContact CD2-CB 3.45Å; H206-N232 WeakPolarHBondContact CD2-CB 3.49Å; H206-N232 PolarHBondContact CE1-ND2 2.98Å; H206-N232 PolarHBondContact NE2-ND2 3.19Å; Y229-N232 PolarHBondContact O-N 3.32Å
233V82.5Confident82.1Confident22 Ų2232.7 Ų32.713%0.13318%0.176CC..BIsolated β-bridgetrans-108.1159.1176.7-67.80000111.6G237 Q238 N239 Q268V233-G237 WeakPolarHBondContact CG1-O 3.14Å; V233-Q238 CarbonylContact C-O 3.41Å; V233-Q238 VanDerWaalsContact CA-O 3.22Å; V233-Q238 WeakPolarHBondContact CA-O 3.18Å; V233-N239 HydrophobicContact CG1-CB 4.18Å; V233-Q268 VanDerWaalsContact CG1-NE2 3.3Å
234D86.1Confident82.3Confident4 Ų428.2 Ų28.22%0.02116%0.159CC..  trans-84.6-172.9169.17010.5000112.9G204 Y205 E236 G237 Q238 H243G204-D234 WeakPolarHBondContact O-CA 3.15Å; Y205-D234 HydrophobicContact CD1-CB 3.8Å; Y205-D234 HydrophobicContact CE1-CB 4.16Å; Y205-D234 VanDerWaalsContact CE1-OD2 3.31Å; Y205-D234 WeakPolarHBondContact CE1-OD2 3.38Å; D234-E236 PolarHBondContact O-N 3.46Å; D234-E236 WeakPolarHBondContact OD1-CA 3.47Å; D234-E236 WeakPolarHBondContact OD1-CB 3.37Å; D234-E236 PolarHBondContact OD1-N 2.98Å; D234-G237 PolarHBondContact O-N 3.18Å; D234-G237 VanDerWaalsContact O-N 3.07Å; D234-G237 PolarHBondContact OD1-N 2.79Å; D234-G237 VanDerWaalsContact OD1-N 3.13Å; D234-Q238 PolarHBondContact N-O 3.13Å; D234-Q238 WeakPolarHBondContact OD1-CB 2.96Å; D234-Q238 PolarHBondContact OD1-N 3.32Å; D234-H243 IonicContact OD2-CD2 3.37Å; D234-H243 IonicContact OD2-CE1 2.77Å; D234-H243 IonicContact OD2-NE2 2.64Å; D234-H243 PolarHBondContact OD2-NE2 3.15Å
235S84Confident82.6Confident63 Ų6328.2 Ų28.244%0.44116%0.159SC..THydrogen-bonded Turntrans-66-13.3177.652.30000114.7S203S203-S235 WeakPolarHBondContact O-CB 3.36Å; S203-S235 PolarHBondContact O-OG 3.1Å
236E85.2Confident83.1Confident46 Ų4630.7 Ų30.722%0.21517%0.17CC..THydrogen-bonded Turntrans-101.79.2174.1-64-177.1-178.400111.9D234 Q238 S271 K605D234-E236 PolarHBondContact O-N 3.46Å; D234-E236 WeakPolarHBondContact OD1-CA 3.47Å; D234-E236 WeakPolarHBondContact OD1-CB 3.37Å; D234-E236 PolarHBondContact OD1-N 2.98Å; E236-Q238 HydrophobicContact CB-CG 4.03Å; E236-Q238 PolarHBondContact O-N 2.69Å; E236-Q238 PolarHBondContact OE2-NE2 3.36Å; E236-S271 VanDerWaalsContact O-CB 3.24Å; E236-S271 WeakPolarHBondContact O-CB 3.35Å; E236-S271 PolarHBondContact O-N 2.87Å; E236-S271 PolarHBondContact O-OG 3.25Å; E236-S271 VanDerWaalsContact O-OG 3.09Å; E236-K605 VanDerWaalsContact OE1-CE 3.24Å; E236-K605 WeakPolarHBondContact OE1-CE 3.4Å; E236-K605 IonicContact OE1-NZ 4Å; E236-K605 PolarHBondContact OE1-NZ 3.13Å
237G85.3Confident83.8Confident22 Ų2230.2 Ų30.223%0.22716%0.164CC..SBendtrans68.410-176.100000113.7V233 D234V233-G237 WeakPolarHBondContact CG1-O 3.14Å; D234-G237 PolarHBondContact O-N 3.18Å; D234-G237 VanDerWaalsContact O-N 3.07Å; D234-G237 PolarHBondContact OD1-N 2.79Å; D234-G237 VanDerWaalsContact OD1-N 3.13Å
238Q88.1Confident84.5Confident9 Ų929.9 Ų29.94%0.04217%0.165CC..  trans-77.2134176.1-57-168.534.700109.2H209 V233 D234 E236 H242 N270H209-Q238 PolarHBondContact NE2-O 3.15Å; V233-Q238 CarbonylContact C-O 3.41Å; V233-Q238 VanDerWaalsContact CA-O 3.22Å; V233-Q238 WeakPolarHBondContact CA-O 3.18Å; D234-Q238 PolarHBondContact N-O 3.13Å; D234-Q238 WeakPolarHBondContact OD1-CB 2.96Å; D234-Q238 PolarHBondContact OD1-N 3.32Å; E236-Q238 HydrophobicContact CB-CG 4.03Å; E236-Q238 PolarHBondContact O-N 2.69Å; E236-Q238 PolarHBondContact OE2-NE2 3.36Å; Q238-H242 HydrophobicContact CB-CB 3.78Å; Q238-H242 HydrophobicContact CG-CB 4.28Å; Q238-N270 HydrophobicContact CG-CB 3.76Å
239N87.9Confident85.6Confident1 Ų123.9 Ų23.91%0.00514%0.137CC..BIsolated β-bridgetrans-91.9175171.466.127.1000110.8V233 L241 H242 H243 L265 Q268V233-N239 HydrophobicContact CG1-CB 4.18Å; N239-L241 PolarHBondContact O-N 3.29Å; N239-L241 VanDerWaalsContact O-N 3.11Å; N239-L241 WeakPolarHBondContact OD1-CA 3.41Å; N239-L241 WeakPolarHBondContact OD1-CB 3.31Å; N239-L241 PolarHBondContact OD1-N 2.82Å; N239-H242 PolarHBondContact N-ND1 2.76Å; N239-H242 PolarHBondContact ND2-ND1 3.46Å; N239-H242 WeakPolarHBondContact O-CB 3.31Å; N239-H242 PolarHBondContact O-N 3.16Å; N239-H242 VanDerWaalsContact O-N 3.08Å; N239-H242 PolarHBondContact OD1-N 3.2Å; N239-H242 PolarHBondContact OD1-ND1 3.28Å; N239-H243 PolarHBondContact O-N 2.76Å; N239-L265 HydrophobicContact CB-CD2 4.08Å; N239-L265 WeakPolarHBondContact ND2-CD2 3.46Å; N239-L265 PolarHBondContact ND2-O 2.71Å; N239-Q268 PolarHBondContact ND2-OE1 3.08Å
240A88.3Confident86.5Confident5 Ų525.2 Ų25.24%0.04115%0.146CC..Hα-helixtrans-53.5-33.4176.100000113.7I208 H209 L212 H243 A244 I256I208-A240 HydrophobicContact CD1-CB 4.15Å; I208-A240 HydrophobicContact CG1-CB 4.29Å; I208-A240 HydrophobicContact CG2-CB 4.21Å; H209-A240 PolarHBondContact NE2-N 3.05Å; L212-A240 HydrophobicContact CD1-CB 4.07Å; L212-A240 WeakPolarHBondContact CD1-O 3.2Å; A240-H243 PolarHBondContact O-N 3.47Å; A240-A244 WeakPolarHBondContact O-CB 3.49Å; A240-A244 PolarHBondContact O-N 3.22Å; A240-I256 HydrophobicContact CB-CD1 3.92Å
241L90.5Very high87.8Confident0 Ų028.3 Ų28.30%016%0.161CC..Hα-helixtrans-73-34.8179.7-169.861.3000112.6N239 A245 C253 I256 L257 L265 L266 P276 L292N239-L241 PolarHBondContact O-N 3.29Å; N239-L241 VanDerWaalsContact O-N 3.11Å; N239-L241 WeakPolarHBondContact OD1-CA 3.41Å; N239-L241 WeakPolarHBondContact OD1-CB 3.31Å; N239-L241 PolarHBondContact OD1-N 2.82Å; L241-A245 WeakPolarHBondContact O-CB 2.94Å; L241-A245 PolarHBondContact O-N 3.21Å; L241-C253 HydrophobicContact CD1-CB 4.28Å; L241-I256 HydrophobicContact CB-CG2 4.21Å; L241-I256 HydrophobicContact CD1-CB 4.49Å; L241-I256 HydrophobicContact CD1-CG2 4.23Å; L241-L257 HydrophobicContact CD1-CD1 4.48Å; L241-L257 HydrophobicContact CD1-CD2 4.46Å; L241-L257 HydrophobicContact CD1-CG 4.26Å; L241-L257 HydrophobicContact CD2-CD2 3.92Å; L241-L265 HydrophobicContact CD2-CB 4.33Å; L241-L266 HydrophobicContact CD2-CD2 4.09Å; L241-P276 HydrophobicContact CB-CG 4.23Å; L241-P276 HydrophobicContact CD2-CB 4.28Å; L241-P276 HydrophobicContact CD2-CG 4.08Å; L241-P276 HydrophobicContact CG-CB 3.95Å; L241-P276 HydrophobicContact CG-CG 4Å; L241-L292 HydrophobicContact CD1-CD2 4.27Å; L241-L292 HydrophobicContact CD2-CD2 4Å; L241-L292 HydrophobicContact CG-CD2 4.3Å
242H91.8Very high88.8Confident0 Ų024.4 Ų24.40%014%0.141CC..Hα-helixtrans-59.5-47.1170.9-74.482.3000110.8Q238 N239 A245 M246 Q268 R274 L279Q238-H242 HydrophobicContact CB-CB 3.78Å; Q238-H242 HydrophobicContact CG-CB 4.28Å; N239-H242 PolarHBondContact N-ND1 2.76Å; N239-H242 PolarHBondContact ND2-ND1 3.46Å; N239-H242 WeakPolarHBondContact O-CB 3.31Å; N239-H242 PolarHBondContact O-N 3.16Å; N239-H242 VanDerWaalsContact O-N 3.08Å; N239-H242 PolarHBondContact OD1-N 3.2Å; N239-H242 PolarHBondContact OD1-ND1 3.28Å; H242-A245 PolarHBondContact O-N 2.8Å; H242-M246 VanDerWaalsContact O-CB 3.25Å; H242-M246 WeakPolarHBondContact O-CB 3.41Å; H242-M246 PolarHBondContact O-N 3Å; H242-Q268 PolarHBondContact CE1-O 3.4Å; H242-Q268 PolarHBondContact NE2-O 2.73Å; H242-R274 PolarHBondContact NE2-O 3.22Å; H242-R274 VanDerWaalsContact NE2-O 3.1Å; H242-L279 HydrophobicContact CB-CD1 3.77Å
243H90.6Very high89.3Confident4 Ų422.5 Ų22.52%0.01913%0.131CC..Hα-helixtrans-64.5-44.4178.6-82.6-75.5000113.1Y205 H209 L212 D234 N239 A240 M246 K247Y205-H243 AromaticContact CE1-CE1 3.56Å; Y205-H243 AromaticContact CE1-NE2 3.73Å; H209-H243 AromaticContact CD2-CD2 3.34Å; H209-H243 PolarHBondContact CD2-CD2 3.34Å; H209-H243 AromaticContact NE2-CD2 3.99Å; L212-H243 HydrophobicContact CD1-CB 3.64Å; D234-H243 IonicContact OD2-CD2 3.37Å; D234-H243 IonicContact OD2-CE1 2.77Å; D234-H243 IonicContact OD2-NE2 2.64Å; D234-H243 PolarHBondContact OD2-NE2 3.15Å; N239-H243 PolarHBondContact O-N 2.76Å; A240-H243 PolarHBondContact O-N 3.47Å; H243-M246 PolarHBondContact O-N 3.42Å; H243-K247 WeakPolarHBondContact O-CB 3.31Å; H243-K247 WeakPolarHBondContact O-CG 3.48Å; H243-K247 PolarHBondContact O-N 2.83Å
244A91.5Very high89.5Confident0 Ų025.5 Ų25.50%014%0.142CC..Hα-helixtrans-63.9-40.7176.200000111.9L212 A240 G248 F249 A252 C253 I256L212-A244 HydrophobicContact CD1-CB 4.36Å; L212-A244 HydrophobicContact CD2-CB 4.21Å; A240-A244 WeakPolarHBondContact O-CB 3.49Å; A240-A244 PolarHBondContact O-N 3.22Å; A244-G248 PolarHBondContact O-N 3.34Å; A244-F249 PolarHBondContact O-N 3.29Å; A244-A252 HydrophobicContact CB-CB 4.01Å; A244-C253 VanDerWaalsContact CB-SG 3.56Å; A244-I256 HydrophobicContact CB-CD1 4.09Å
245A92.8Very high89.6Confident0 Ų026.6 Ų26.60%015%0.147CC..Hα-helixtrans-67.3-40.1176.300000113L241 H242 P276 A280 H285 I288L241-A245 WeakPolarHBondContact O-CB 2.94Å; L241-A245 PolarHBondContact O-N 3.21Å; H242-A245 PolarHBondContact O-N 2.8Å; A245-P276 HydrophobicContact CB-CB 4.04Å; A245-P276 WeakPolarHBondContact CB-O 3.37Å; A245-A280 HydrophobicContact CB-CB 4.13Å; A245-H285 PolarHBondContact O-CD2 2.8Å; A245-I288 HydrophobicContact CB-CG2 4.19Å
246M93.3Very high89.7Confident58 Ų5823.9 Ų23.929%0.28613%0.128SC..Hα-helixtrans-65.9-43.9176.7-175178.262.200111.8H242 H243 L279 N283 H285H242-M246 VanDerWaalsContact O-CB 3.25Å; H242-M246 WeakPolarHBondContact O-CB 3.41Å; H242-M246 PolarHBondContact O-N 3Å; H243-M246 PolarHBondContact O-N 3.42Å; M246-L279 HydrophobicContact CB-CB 4.3Å; M246-L279 HydrophobicContact CB-CD1 4.32Å; M246-N283 VanDerWaalsContact CG-ND2 3.35Å; M246-N283 WeakPolarHBondContact CG-ND2 3.39Å; M246-N283 PolarHBondContact O-ND2 3.49Å; M246-H285 PolarHBondContact O-NE2 3.07Å; M246-H285 VanDerWaalsContact O-NE2 3.15Å
247K91.5Very high89.7Confident76 Ų7622 Ų2233%0.3312%0.119SC..Hα-helixtrans-79.5-12.2-175.8-68.3-177-172.9-174.60114.8L212 H243 F249L212-K247 WeakPolarHBondContact O-CD 3.42Å; L212-K247 WeakPolarHBondContact O-CE 3.41Å; L212-K247 PolarHBondContact O-NZ 2.75Å; H243-K247 WeakPolarHBondContact O-CB 3.31Å; H243-K247 WeakPolarHBondContact O-CG 3.48Å; H243-K247 PolarHBondContact O-N 2.83Å; K247-F249 HydrophobicContact CB-CD1 4.14Å; K247-F249 HydrophobicContact CB-CD2 3.9Å; K247-F249 HydrophobicContact CB-CE1 4.09Å; K247-F249 HydrophobicContact CB-CE2 3.85Å; K247-F249 HydrophobicContact CB-CG 4.05Å; K247-F249 HydrophobicContact CB-CZ 3.95Å; K247-F249 HydrophobicContact CD-CD2 4.32Å; K247-F249 HydrophobicContact CD-CE2 3.75Å; K247-F249 HydrophobicContact CD-CZ 4.21Å; K247-F249 HydrophobicContact CG-CE2 4.44Å
248G91.7Very high89.6Confident21 Ų2127 Ų2722%0.21614%0.136CC..THydrogen-bonded Turntrans80.136.3-178.600000113.3A244 P250 H285A244-G248 PolarHBondContact O-N 3.34Å; G248-P250 WeakPolarHBondContact O-CD 3.4Å; G248-H285 VanDerWaalsContact CA-CE1 3.41Å; G248-H285 WeakPolarHBondContact CA-CE1 3.45Å; G248-H285 WeakPolarHBondContact CA-NE2 3.31Å; G248-H285 PolarHBondContact N-NE2 3.19Å
249F93.1Very high88.7Confident35 Ų3530.7 Ų30.715%0.15415%0.151CC..  trans-102.685.2-175.9-68.6-8.6000111.8L212 D215 A244 K247 N251 A252 C253L212-F249 WeakPolarHBondContact O-CE2 3.41Å; D215-F249 HydrophobicContact CB-CB 4.06Å; D215-F249 HydrophobicContact CB-CD1 3.79Å; D215-F249 HydrophobicContact CB-CE1 4.37Å; D215-F249 HydrophobicContact CB-CG 3.88Å; D215-F249 WeakPolarHBondContact OD1-CB 3.25Å; A244-F249 PolarHBondContact O-N 3.29Å; K247-F249 HydrophobicContact CB-CD1 4.14Å; K247-F249 HydrophobicContact CB-CD2 3.9Å; K247-F249 HydrophobicContact CB-CE1 4.09Å; K247-F249 HydrophobicContact CB-CE2 3.85Å; K247-F249 HydrophobicContact CB-CG 4.05Å; K247-F249 HydrophobicContact CB-CZ 3.95Å; K247-F249 HydrophobicContact CD-CD2 4.32Å; K247-F249 HydrophobicContact CD-CE2 3.75Å; K247-F249 HydrophobicContact CD-CZ 4.21Å; K247-F249 HydrophobicContact CG-CE2 4.44Å; F249-N251 VanDerWaalsContact C-N 3.33Å; F249-N251 PolarHBondContact O-N 3.44Å; F249-A252 HydrophobicContact CB-CB 3.82Å; F249-A252 PolarHBondContact O-N 3.3Å; F249-C253 PolarHBondContact O-N 3.4Å; F249-C253 PolarHBondContact O-SG 2.86Å; F249-C253 VanDerWaalsContact O-SG 3.41Å
250P90.5Very high87.5Confident36 Ų3633.1 Ų33.123%0.23416%0.161CC..Hα-helixtrans-68.3-28.6-173.629.4-37.7000113.1D215 G248 K254 I288 L291D215-P250 WeakPolarHBondContact OD2-CD 3.46Å; G248-P250 WeakPolarHBondContact O-CD 3.4Å; P250-K254 VanDerWaalsContact O-CG 3.28Å; P250-K254 WeakPolarHBondContact O-CG 3.45Å; P250-K254 PolarHBondContact O-N 3.3Å; P250-I288 HydrophobicContact CB-CG1 4.31Å; P250-L291 HydrophobicContact CB-CD1 4.02Å
251N90.7Very high85.9Confident71 Ų7138.5 Ų38.538%0.3820%0.196SC..Hα-helixtrans-78.5-38.7179.1-58.3-51.7000110.9D215 L218 F249 C253 K254 I255D215-N251 PolarHBondContact OD1-N 3.3Å; D215-N251 WeakPolarHBondContact OD2-CB 3.43Å; D215-N251 PolarHBondContact OD2-N 2.92Å; D215-N251 PolarHBondContact OD2-ND2 2.96Å; L218-N251 HydrophobicContact CD1-CB 3.72Å; F249-N251 VanDerWaalsContact C-N 3.33Å; F249-N251 PolarHBondContact O-N 3.44Å; N251-C253 VanDerWaalsContact C-N 3.34Å; N251-C253 PolarHBondContact O-N 3.14Å; N251-K254 PolarHBondContact O-N 2.91Å; N251-K254 PolarHBondContact OD1-NZ 2.96Å; N251-K254 VanDerWaalsContact OD1-NZ 3.09Å; N251-I255 WeakPolarHBondContact O-CG1 3.45Å; N251-I255 PolarHBondContact O-N 2.99Å
252A89.6Confident84.3Confident0 Ų039.6 Ų39.60%020%0.201CC..Hα-helixtrans-57.2-46.3168.500000111.7L212 D215 L218 L221 A244 F249 K254 I255 I256L212-A252 HydrophobicContact CD2-CB 3.6Å; D215-A252 PolarHBondContact OD1-N 3.28Å; L218-A252 HydrophobicContact CD1-CB 4.28Å; L218-A252 HydrophobicContact CD2-CB 3.9Å; L221-A252 HydrophobicContact CD2-CB 3.75Å; A244-A252 HydrophobicContact CB-CB 4.01Å; F249-A252 HydrophobicContact CB-CB 3.82Å; F249-A252 PolarHBondContact O-N 3.3Å; A252-K254 PolarHBondContact O-N 3.11Å; A252-I255 PolarHBondContact O-N 3.4Å; A252-I256 WeakPolarHBondContact O-CD1 3.15Å; A252-I256 VanDerWaalsContact O-CG1 3.28Å; A252-I256 WeakPolarHBondContact O-CG1 3.33Å; A252-I256 PolarHBondContact O-N 2.97Å
253C89.4Confident82.8Confident0 Ų043.1 Ų43.10%023%0.231CC..Hα-helixtrans-57.1-46.3173.6-73.50000112.3L241 A244 F249 N251 I255 I256 L257L241-C253 HydrophobicContact CD1-CB 4.28Å; A244-C253 VanDerWaalsContact CB-SG 3.56Å; F249-C253 PolarHBondContact O-N 3.4Å; F249-C253 PolarHBondContact O-SG 2.86Å; F249-C253 VanDerWaalsContact O-SG 3.41Å; N251-C253 VanDerWaalsContact C-N 3.34Å; N251-C253 PolarHBondContact O-N 3.14Å; C253-I255 PolarHBondContact O-N 3.21Å; C253-I256 PolarHBondContact O-N 3.25Å; C253-L257 VanDerWaalsContact O-CB 3.24Å; C253-L257 WeakPolarHBondContact O-CB 3.24Å; C253-L257 WeakPolarHBondContact O-CG 3.46Å; C253-L257 PolarHBondContact O-N 3.2Å
254K88.5Confident81.9Confident84 Ų8448.8 Ų48.837%0.36526%0.26SS..Hα-helixtrans-60.2-44.7177.5-72166.2-163.7162.40112.4P250 N251 A252 L257 Q258 L291P250-K254 VanDerWaalsContact O-CG 3.28Å; P250-K254 WeakPolarHBondContact O-CG 3.45Å; P250-K254 PolarHBondContact O-N 3.3Å; N251-K254 PolarHBondContact O-N 2.91Å; N251-K254 PolarHBondContact OD1-NZ 2.96Å; N251-K254 VanDerWaalsContact OD1-NZ 3.09Å; A252-K254 PolarHBondContact O-N 3.11Å; K254-L257 CarbonylContact O-C 3.53Å; K254-L257 PolarHBondContact O-N 3.41Å; K254-Q258 VanDerWaalsContact O-CG 3.23Å; K254-Q258 WeakPolarHBondContact O-CG 3.44Å; K254-Q258 PolarHBondContact O-N 3.1Å; K254-L291 HydrophobicContact CG-CD1 4.24Å; K254-L291 HydrophobicContact CG-CD2 4.18Å
255I86.8Confident81.2Confident27 Ų2749.2 Ų49.214%0.13826%0.262CS..Hα-helixtrans-64.7-47.8-179.8-70.9176.4000110.5L218 L221 E222 N251 A252 C253 L257 Q258 Y259L218-I255 HydrophobicContact CB-CD1 3.61Å; L218-I255 HydrophobicContact CD1-CD1 3.72Å; L218-I255 HydrophobicContact CG-CD1 4.32Å; L221-I255 HydrophobicContact CD2-CG2 4.38Å; L221-I255 HydrophobicContact CG-CG2 4.38Å; E222-I255 HydrophobicContact CB-CG2 3.97Å; E222-I255 HydrophobicContact CG-CG2 4.46Å; N251-I255 WeakPolarHBondContact O-CG1 3.45Å; N251-I255 PolarHBondContact O-N 2.99Å; A252-I255 PolarHBondContact O-N 3.4Å; C253-I255 PolarHBondContact O-N 3.21Å; I255-L257 PolarHBondContact O-N 2.93Å; I255-Q258 PolarHBondContact O-N 3.48Å; I255-Y259 HydrophobicContact CG2-CD2 4.1Å; I255-Y259 HydrophobicContact CG2-CE2 4.15Å; I255-Y259 VanDerWaalsContact O-CD2 3.31Å; I255-Y259 WeakPolarHBondContact O-CD2 3.47Å
256I86.8Confident80.8Confident6 Ų649.4 Ų49.43%0.03126%0.263CS..Hα-helixtrans-57.2-41.7175.4-65.5162.8000110.1L221 A240 L241 A244 A252 C253 Q258 N262 L265L221-I256 HydrophobicContact CD1-CD1 4.26Å; L221-I256 HydrophobicContact CD1-CG1 4.1Å; L221-I256 HydrophobicContact CD2-CD1 4.29Å; L221-I256 HydrophobicContact CD2-CG1 4.14Å; L221-I256 HydrophobicContact CG-CG1 4.39Å; A240-I256 HydrophobicContact CB-CD1 3.92Å; L241-I256 HydrophobicContact CB-CG2 4.21Å; L241-I256 HydrophobicContact CD1-CB 4.49Å; L241-I256 HydrophobicContact CD1-CG2 4.23Å; A244-I256 HydrophobicContact CB-CD1 4.09Å; A252-I256 WeakPolarHBondContact O-CD1 3.15Å; A252-I256 VanDerWaalsContact O-CG1 3.28Å; A252-I256 WeakPolarHBondContact O-CG1 3.33Å; A252-I256 PolarHBondContact O-N 2.97Å; C253-I256 PolarHBondContact O-N 3.25Å; I256-Q258 VanDerWaalsContact C-N 3.3Å; I256-Q258 PolarHBondContact O-N 3.39Å; I256-N262 PolarHBondContact O-OD1 3.48Å; I256-L265 HydrophobicContact CG2-CD1 4.15Å
257L85.9Confident80.4Confident6 Ų648.7 Ų48.73%0.03126%0.261CS..Hα-helixtrans-79.41.3178.9-64173.4000115.2L241 C253 K254 I255 N262 L266 L292 H295L241-L257 HydrophobicContact CD1-CD1 4.48Å; L241-L257 HydrophobicContact CD1-CD2 4.46Å; L241-L257 HydrophobicContact CD1-CG 4.26Å; L241-L257 HydrophobicContact CD2-CD2 3.92Å; C253-L257 VanDerWaalsContact O-CB 3.24Å; C253-L257 WeakPolarHBondContact O-CB 3.24Å; C253-L257 WeakPolarHBondContact O-CG 3.46Å; C253-L257 PolarHBondContact O-N 3.2Å; K254-L257 CarbonylContact O-C 3.53Å; K254-L257 PolarHBondContact O-N 3.41Å; I255-L257 PolarHBondContact O-N 2.93Å; L257-N262 VanDerWaalsContact C-ND2 3.33Å; L257-N262 WeakPolarHBondContact CA-ND2 3.48Å; L257-N262 WeakPolarHBondContact CA-OD1 3.23Å; L257-N262 HydrophobicContact CD2-CB 3.72Å; L257-N262 PolarHBondContact O-ND2 3Å; L257-L266 HydrophobicContact CD2-CD2 3.68Å; L257-L266 HydrophobicContact CD2-CG 4.05Å; L257-L292 HydrophobicContact CD1-CD2 4.28Å; L257-H295 HydrophobicContact CD1-CB 4.43Å
258Q83.1Confident80.1Confident127 Ų12746.6 Ų46.659%0.59325%0.252SS*.Hα-helixtrans-95.5-36.7174.9-84.2167.6-2.900112.9K254 I255 I256K254-Q258 VanDerWaalsContact O-CG 3.23Å; K254-Q258 WeakPolarHBondContact O-CG 3.44Å; K254-Q258 PolarHBondContact O-N 3.1Å; I255-Q258 PolarHBondContact O-N 3.48Å; I256-Q258 VanDerWaalsContact C-N 3.3Å; I256-Q258 PolarHBondContact O-N 3.39Å
259Y68.8Low80Confident88 Ų8848.7 Ų48.735%0.34526%0.255SS..Hα-helixtrans-99.6-5-159.5-72.2-69000116.8E222 N226 I255E222-Y259 HydrophobicContact CG-CE2 3.83Å; E222-Y259 PolarHBondContact OE1-OH 3.25Å; N226-Y259 VanDerWaalsContact CG-CD1 3.47Å; N226-Y259 VanDerWaalsContact ND2-CD1 3.31Å; N226-Y259 WeakPolarHBondContact ND2-CD1 3.2Å; N226-Y259 WeakPolarHBondContact ND2-CE1 3.3Å; N226-Y259 WeakPolarHBondContact OD1-CD1 3.25Å; I255-Y259 HydrophobicContact CG2-CD2 4.1Å; I255-Y259 HydrophobicContact CG2-CE2 4.15Å; I255-Y259 VanDerWaalsContact O-CD2 3.31Å; I255-Y259 WeakPolarHBondContact O-CD2 3.47Å
260K62.6Low79.9Confident52 Ų5247.3 Ų47.323%0.22625%0.25CC..SBendtrans-142.1162.1175.3-76.2-168.2-179.51730112.8S225 S227 L231 N262S225-K260 VanDerWaalsContact O-CE 3.25Å; S225-K260 WeakPolarHBondContact O-CE 3.4Å; S227-K260 WeakPolarHBondContact O-CE 3.24Å; S227-K260 PolarHBondContact O-NZ 3.11Å; L231-K260 HydrophobicContact CD2-CD 4.18Å; L231-K260 HydrophobicContact CG-CD 4.39Å; K260-N262 PolarHBondContact O-N 2.86Å; K260-N262 PolarHBondContact O-ND2 2.91Å; K260-N262 PolarHBondContact O-OD1 2.97Å; K260-N262 VanDerWaalsContact O-OD1 3.08Å
261P55.4Low79.8Confident117 Ų11748.5 Ų48.576%0.7626%0.258SS*.  trans-68.890.3175.927.4-35000111.2A263P261-A263 PolarHBondContact O-N 3.42Å
262N55.1Low79.7Confident23 Ų2348.9 Ų48.912%0.12326%0.258CS..THydrogen-bonded Turntrans-65.3-0.7-161.2-59.2-60.5000118.2I256 L257 K260 I264 L265 L266I256-N262 PolarHBondContact O-OD1 3.48Å; L257-N262 VanDerWaalsContact C-ND2 3.33Å; L257-N262 WeakPolarHBondContact CA-ND2 3.48Å; L257-N262 WeakPolarHBondContact CA-OD1 3.23Å; L257-N262 HydrophobicContact CD2-CB 3.72Å; L257-N262 PolarHBondContact O-ND2 3Å; K260-N262 PolarHBondContact O-N 2.86Å; K260-N262 PolarHBondContact O-ND2 2.91Å; K260-N262 PolarHBondContact O-OD1 2.97Å; K260-N262 VanDerWaalsContact O-OD1 3.08Å; N262-I264 PolarHBondContact O-N 3.39Å; N262-I264 VanDerWaalsContact O-N 3.13Å; N262-L265 PolarHBondContact O-N 2.76Å; N262-L266 HydrophobicContact CB-CD1 3.82Å; N262-L266 HydrophobicContact CB-CG 4.1Å; N262-L266 WeakPolarHBondContact O-CB 3.44Å; N262-L266 WeakPolarHBondContact O-CD1 3.35Å; N262-L266 WeakPolarHBondContact O-CG 3.38Å; N262-L266 PolarHBondContact O-N 3.26Å; N262-L266 VanDerWaalsContact O-N 3.12Å
263A60.3Low79.8Confident75 Ų7552.4 Ų52.462%0.6228%0.277SS*.Hα-helixtrans-55.1-34.7-177.400000112.8P261P261-A263 PolarHBondContact O-N 3.42Å
264I72.8Confident79.9Confident122 Ų12254.3 Ų54.363%0.62628%0.284SS*.Hα-helixtrans-73-51.3-178.7-53.1176.4000111.1N262 L266 Q268N262-I264 PolarHBondContact O-N 3.39Å; N262-I264 VanDerWaalsContact O-N 3.13Å; I264-L266 PolarHBondContact O-N 3.24Å; I264-Q268 WeakPolarHBondContact O-CB 3.49Å; I264-Q268 PolarHBondContact O-N 2.61Å
265L77.6Confident80.1Confident9 Ų950.3 Ų50.35%0.04727%0.267CS..Hα-helixtrans-71.3-31-174.7-64.2177.9000113.6L231 N239 L241 I256 N262 N267L231-L265 HydrophobicContact CD2-CD1 4.15Å; L231-L265 HydrophobicContact CD2-CD2 3.96Å; L231-L265 HydrophobicContact CD2-CG 4.11Å; N239-L265 HydrophobicContact CB-CD2 4.08Å; N239-L265 WeakPolarHBondContact ND2-CD2 3.46Å; N239-L265 PolarHBondContact ND2-O 2.71Å; L241-L265 HydrophobicContact CD2-CB 4.33Å; I256-L265 HydrophobicContact CG2-CD1 4.15Å; N262-L265 PolarHBondContact O-N 2.76Å; L265-N267 PolarHBondContact O-N 2.72Å
266L83.7Confident80.3Confident5 Ų549 Ų493%0.02626%0.26CS..Hα-helixtrans-64.8-35.7-177.1-77.5165.5000113.6L241 L257 N262 I264 P276 L292 H295 A297L241-L266 HydrophobicContact CD2-CD2 4.09Å; L257-L266 HydrophobicContact CD2-CD2 3.68Å; L257-L266 HydrophobicContact CD2-CG 4.05Å; N262-L266 HydrophobicContact CB-CD1 3.82Å; N262-L266 HydrophobicContact CB-CG 4.1Å; N262-L266 WeakPolarHBondContact O-CB 3.44Å; N262-L266 WeakPolarHBondContact O-CD1 3.35Å; N262-L266 WeakPolarHBondContact O-CG 3.38Å; N262-L266 PolarHBondContact O-N 3.26Å; N262-L266 VanDerWaalsContact O-N 3.12Å; I264-L266 PolarHBondContact O-N 3.24Å; L266-P276 WeakPolarHBondContact O-CD 3.29Å; L266-L292 HydrophobicContact CD2-CD2 3.65Å; L266-H295 HydrophobicContact CD1-CB 4.1Å; L266-H295 VanDerWaalsContact CD1-O 3.22Å; L266-H295 WeakPolarHBondContact CD1-O 3.49Å; L266-H295 HydrophobicContact CD2-CB 4.22Å; L266-A297 HydrophobicContact CD2-CB 4.22Å
267N84.4Confident80.6Confident42 Ų4248.8 Ų48.823%0.22526%0.259CS..SBendtrans-115.58.1-174.8-64.2-31.6000112.4L265 N298 L301L265-N267 PolarHBondContact O-N 2.72Å; N267-N298 PolarHBondContact OD1-N 3.08Å; N267-L301 HydrophobicContact CB-CD1 3.88Å
268Q85.1Confident81Confident33 Ų3348.5 Ų48.515%0.15426%0.257CS..  trans-63139.5174.4-174.6171.6900110.1V233 N239 H242 I264V233-Q268 VanDerWaalsContact CG1-NE2 3.3Å; N239-Q268 PolarHBondContact ND2-OE1 3.08Å; H242-Q268 PolarHBondContact CE1-O 3.4Å; H242-Q268 PolarHBondContact NE2-O 2.73Å; I264-Q268 WeakPolarHBondContact O-CB 3.49Å; I264-Q268 PolarHBondContact O-N 2.61Å
269F90Very high81.5Confident65 Ų6543 Ų4329%0.28523%0.232SC..  trans-93.2134.1175.9-69.1-55.8000111.6N273 T275 L301 T351F269-N273 HydrophobicContact CD1-CB 4.24Å; F269-N273 WeakPolarHBondContact CD1-O 3.49Å; F269-N273 WeakPolarHBondContact CE1-O 3.41Å; F269-T275 HydrophobicContact CD1-CG2 3.68Å; F269-T275 HydrophobicContact CE1-CG2 3.63Å; F269-L301 HydrophobicContact CE1-CB 4.19Å; F269-L301 HydrophobicContact CE1-CD1 4.32Å; F269-L301 HydrophobicContact CZ-CB 4.27Å; F269-L301 HydrophobicContact CZ-CD1 4.17Å; F269-L301 HydrophobicContact CZ-CD2 4.16Å; F269-L301 HydrophobicContact CZ-CG 4.41Å; F269-T351 HydrophobicContact CE2-CG2 4.4Å
270N90.1Very high82.7Confident6 Ų638.8 Ų38.83%0.03222%0.215CC..  trans-78.3-175.6163.679.3-8.6000111.6Q238 E272 N273 R274Q238-N270 HydrophobicContact CG-CB 3.76Å; N270-E272 PolarHBondContact O-N 3.21Å; N270-E272 WeakPolarHBondContact OD1-CA 3.28Å; N270-E272 WeakPolarHBondContact OD1-CB 2.95Å; N270-E272 PolarHBondContact OD1-N 2.86Å; N270-N273 PolarHBondContact O-N 3.05Å; N270-N273 PolarHBondContact OD1-N 2.83Å; N270-R274 PolarHBondContact N-O 3.19Å; N270-R274 WeakPolarHBondContact OD1-CB 3.43Å; N270-R274 PolarHBondContact OD1-N 2.84Å; N270-R274 PolarHBondContact OD1-O 3.14Å
271S89.6Confident84.2Confident60 Ų6036.3 Ų36.342%0.4221%0.205SC..THydrogen-bonded Turntrans-61.6-12.3178.1600000115.2E236 K304E236-S271 VanDerWaalsContact O-CB 3.24Å; E236-S271 WeakPolarHBondContact O-CB 3.35Å; E236-S271 PolarHBondContact O-N 2.87Å; E236-S271 PolarHBondContact O-OG 3.25Å; E236-S271 VanDerWaalsContact O-OG 3.09Å; S271-K304 WeakPolarHBondContact O-CE 3.44Å; S271-K304 PolarHBondContact O-NZ 3.44Å
272E89Confident86Confident80 Ų8031.8 Ų31.837%0.37417%0.174SC..THydrogen-bonded Turntrans-103.39.8175.2-59.6-175.9133.100113N270 R274 K304N270-E272 PolarHBondContact O-N 3.21Å; N270-E272 WeakPolarHBondContact OD1-CA 3.28Å; N270-E272 WeakPolarHBondContact OD1-CB 2.95Å; N270-E272 PolarHBondContact OD1-N 2.86Å; E272-R274 HydrophobicContact CB-CG 4.11Å; E272-R274 PolarHBondContact O-N 2.84Å; E272-R274 IonicContact OE1-NH1 3.66Å; E272-R274 WeakPolarHBondContact OE2-CD 3.22Å; E272-R274 IonicContact OE2-CZ 3.59Å; E272-R274 IonicContact OE2-NE 3.55Å; E272-R274 IonicContact OE2-NH1 2.61Å; E272-R274 PolarHBondContact OE2-NH1 3.17Å; E272-K304 WeakPolarHBondContact O-CB 3.23Å; E272-K304 WeakPolarHBondContact O-CG 3.46Å; E272-K304 PolarHBondContact O-N 3.46Å
273N90.2Very high87.9Confident73 Ų7334.1 Ų34.139%0.3919%0.186SC..SBendtrans55.922.1-168.2-59.2-0.4000113.5F269 N270 D303 K304F269-N273 HydrophobicContact CD1-CB 4.24Å; F269-N273 WeakPolarHBondContact CD1-O 3.49Å; F269-N273 WeakPolarHBondContact CE1-O 3.41Å; N270-N273 PolarHBondContact O-N 3.05Å; N270-N273 PolarHBondContact OD1-N 2.83Å; N273-D303 WeakPolarHBondContact O-CA 3.43Å; N273-K304 HydrophobicContact CB-CG 4.16Å
274R92.2Very high89.4Confident41 Ų4131.9 Ų31.916%0.15517%0.171CC..  trans-84.4143172.4-68.6177.6174.2158.6-9.3109.3H242 N270 E272 H278 L279 D303 Y312H242-R274 PolarHBondContact NE2-O 3.22Å; H242-R274 VanDerWaalsContact NE2-O 3.1Å; N270-R274 PolarHBondContact N-O 3.19Å; N270-R274 WeakPolarHBondContact OD1-CB 3.43Å; N270-R274 PolarHBondContact OD1-N 2.84Å; N270-R274 PolarHBondContact OD1-O 3.14Å; E272-R274 HydrophobicContact CB-CG 4.11Å; E272-R274 PolarHBondContact O-N 2.84Å; E272-R274 IonicContact OE1-NH1 3.66Å; E272-R274 WeakPolarHBondContact OE2-CD 3.22Å; E272-R274 IonicContact OE2-CZ 3.59Å; E272-R274 IonicContact OE2-NE 3.55Å; E272-R274 IonicContact OE2-NH1 2.61Å; E272-R274 PolarHBondContact OE2-NH1 3.17Å; R274-H278 HydrophobicContact CB-CB 3.92Å; R274-H278 HydrophobicContact CG-CB 4.15Å; R274-L279 HydrophobicContact CB-CD2 4.4Å; R274-D303 HydrophobicContact CG-CB 3.51Å; R274-D303 IonicContact CZ-OD2 2.75Å; R274-D303 IonicContact NE-OD2 3.47Å; R274-D303 PolarHBondContact NE-OD2 3.33Å; R274-D303 IonicContact NH2-OD2 3.81Å; R274-Y312 PolarHBondContact NH2-OH 3.17Å
275T92.2Very high90.4Very high0 Ų028.8 Ų28.80%015%0.153CC..  trans-97.6168.7170.468.30000110.2F269 L277 H278 L279 L301F269-T275 HydrophobicContact CD1-CG2 3.68Å; F269-T275 HydrophobicContact CE1-CG2 3.63Å; T275-L277 PolarHBondContact O-N 3.38Å; T275-L277 VanDerWaalsContact O-N 3.12Å; T275-H278 PolarHBondContact N-ND1 2.92Å; T275-H278 WeakPolarHBondContact O-CB 3.35Å; T275-H278 PolarHBondContact O-N 2.91Å; T275-H278 PolarHBondContact OG1-ND1 3.5Å; T275-L279 PolarHBondContact O-N 2.85Å; T275-L301 HydrophobicContact CG2-CB 4.33Å; T275-L301 HydrophobicContact CG2-CD1 3.8Å
276P92.1Very high91Very high0 Ų028.5 Ų28.50%015%0.153CC..Hα-helixtrans-55.1-31.4173.9-25.534.9000113.3L241 A245 L266 L279 A280 L292L241-P276 HydrophobicContact CB-CG 4.23Å; L241-P276 HydrophobicContact CD2-CB 4.28Å; L241-P276 HydrophobicContact CD2-CG 4.08Å; L241-P276 HydrophobicContact CG-CB 3.95Å; L241-P276 HydrophobicContact CG-CG 4Å; A245-P276 HydrophobicContact CB-CB 4.04Å; A245-P276 WeakPolarHBondContact CB-O 3.37Å; L266-P276 WeakPolarHBondContact O-CD 3.29Å; P276-L279 PolarHBondContact O-N 3.21Å; P276-A280 WeakPolarHBondContact O-CB 3.48Å; P276-A280 PolarHBondContact O-N 3.07Å; P276-L292 HydrophobicContact CB-CD1 4.25Å; P276-L292 HydrophobicContact CB-CD2 4.46Å
277L93.5Very high91.4Very high1 Ų132.5 Ų32.51%0.00517%0.174CC..Hα-helixtrans-68.3-34.8176.7-17562.9000112.6T275 T281 V289 L292 L293 A297 P299 A309T275-L277 PolarHBondContact O-N 3.38Å; T275-L277 VanDerWaalsContact O-N 3.12Å; L277-T281 WeakPolarHBondContact O-CB 3.43Å; L277-T281 PolarHBondContact O-N 2.83Å; L277-T281 VanDerWaalsContact O-N 3.17Å; L277-T281 PolarHBondContact O-OG1 3.13Å; L277-V289 HydrophobicContact CD1-CB 4.4Å; L277-V289 HydrophobicContact CD1-CG1 4Å; L277-V289 HydrophobicContact CD1-CG2 4.44Å; L277-L292 HydrophobicContact CB-CD1 4.19Å; L277-L292 HydrophobicContact CD1-CB 4.06Å; L277-L292 HydrophobicContact CD1-CD1 4.15Å; L277-L293 HydrophobicContact CD1-CG 4.27Å; L277-L293 HydrophobicContact CD2-CD2 3.97Å; L277-A297 HydrophobicContact CB-CB 4.45Å; L277-A297 HydrophobicContact CD2-CB 4.1Å; L277-P299 HydrophobicContact CD2-CB 4.01Å; L277-A309 HydrophobicContact CD2-CB 4.46Å; L277-A309 HydrophobicContact CG-CB 4.04Å
278H93.9Very high91.9Very high0 Ų030.6 Ų30.60%016%0.164CC..Hα-helixtrans-63.5-49.5171.2-70.282.6000110.4R274 T275 T281 I282 L301 C307 A309R274-H278 HydrophobicContact CB-CB 3.92Å; R274-H278 HydrophobicContact CG-CB 4.15Å; T275-H278 PolarHBondContact N-ND1 2.92Å; T275-H278 WeakPolarHBondContact O-CB 3.35Å; T275-H278 PolarHBondContact O-N 2.91Å; T275-H278 PolarHBondContact OG1-ND1 3.5Å; H278-T281 PolarHBondContact O-N 2.96Å; H278-I282 HydrophobicContact CB-CD1 4.3Å; H278-I282 WeakPolarHBondContact O-CB 3.36Å; H278-I282 WeakPolarHBondContact O-CD1 3.17Å; H278-I282 WeakPolarHBondContact O-CG1 3.41Å; H278-I282 PolarHBondContact O-N 3.01Å; H278-L301 PolarHBondContact CE1-O 3.14Å; H278-L301 PolarHBondContact NE2-O 3.44Å; H278-L301 VanDerWaalsContact NE2-O 3.14Å; H278-C307 PolarHBondContact NE2-O 3.05Å; H278-C307 VanDerWaalsContact NE2-O 3.15Å; H278-A309 PolarHBondContact NE2-N 3.01Å
279L93.5Very high92.2Very high11 Ų1129 Ų296%0.05816%0.156CC..Hα-helixtrans-64.4-43.4-178.1-62.1-177.3000112.7H242 M246 R274 T275 P276 T281 I282 N283H242-L279 HydrophobicContact CB-CD1 3.77Å; M246-L279 HydrophobicContact CB-CB 4.3Å; M246-L279 HydrophobicContact CB-CD1 4.32Å; R274-L279 HydrophobicContact CB-CD2 4.4Å; T275-L279 PolarHBondContact O-N 2.85Å; P276-L279 PolarHBondContact O-N 3.21Å; L279-T281 PolarHBondContact O-N 3.21Å; L279-I282 PolarHBondContact O-N 3.13Å; L279-N283 WeakPolarHBondContact O-CB 3.27Å; L279-N283 PolarHBondContact O-N 3.18Å; L279-N283 VanDerWaalsContact O-N 3.14Å
280A94.4Very high92.4Very high0 Ų029 Ų290%016%0.159CC..Hα-helixtrans-55.6-42.4173.200000111.6A245 P276 G284 H285 I288 V289 L292A245-A280 HydrophobicContact CB-CB 4.13Å; P276-A280 WeakPolarHBondContact O-CB 3.48Å; P276-A280 PolarHBondContact O-N 3.07Å; A280-G284 PolarHBondContact O-N 3.41Å; A280-H285 PolarHBondContact O-N 3.3Å; A280-I288 HydrophobicContact CB-CB 4.18Å; A280-I288 HydrophobicContact CB-CG2 3.85Å; A280-V289 HydrophobicContact CB-CG2 3.95Å; A280-L292 HydrophobicContact CB-CD1 4.05Å
281T94.2Very high92.4Very high0 Ų030.3 Ų30.30%017%0.166CC..Hα-helixtrans-77.6-43-176.4-52.40000112.5L277 H278 L279 N283 G284 V289 A309 A313 L318 C321 Y325L277-T281 WeakPolarHBondContact O-CB 3.43Å; L277-T281 PolarHBondContact O-N 2.83Å; L277-T281 VanDerWaalsContact O-N 3.17Å; L277-T281 PolarHBondContact O-OG1 3.13Å; H278-T281 PolarHBondContact O-N 2.96Å; L279-T281 PolarHBondContact O-N 3.21Å; T281-N283 PolarHBondContact O-N 3.48Å; T281-G284 PolarHBondContact O-N 2.92Å; T281-V289 WeakPolarHBondContact OG1-CG2 3.36Å; T281-A309 VanDerWaalsContact CG2-O 3.26Å; T281-A309 WeakPolarHBondContact CG2-O 3.44Å; T281-A313 HydrophobicContact CG2-CB 3.68Å; T281-L318 WeakPolarHBondContact O-CD1 3.25Å; T281-C321 HydrophobicContact CG2-CB 4.44Å; T281-Y325 HydrophobicContact CG2-CE2 3.97Å; T281-Y325 PolarHBondContact OG1-OH 3.12Å
282I93.1Very high92.6Very high21 Ų2127.4 Ų27.411%0.10815%0.146CC..Hα-helixtrans-56.8-33.5175.5-71.4165000110.5H278 L279 Y312 K316H278-I282 HydrophobicContact CB-CD1 4.3Å; H278-I282 WeakPolarHBondContact O-CB 3.36Å; H278-I282 WeakPolarHBondContact O-CD1 3.17Å; H278-I282 WeakPolarHBondContact O-CG1 3.41Å; H278-I282 PolarHBondContact O-N 3.01Å; L279-I282 PolarHBondContact O-N 3.13Å; I282-Y312 HydrophobicContact CD1-CD1 4.27Å; I282-Y312 HydrophobicContact CD1-CD2 4.11Å; I282-Y312 HydrophobicContact CD1-CE1 4.19Å; I282-Y312 HydrophobicContact CD1-CE2 4.02Å; I282-Y312 HydrophobicContact CD1-CG 4.22Å; I282-Y312 HydrophobicContact CG1-CD1 3.77Å; I282-Y312 HydrophobicContact CG1-CD2 4.03Å; I282-Y312 HydrophobicContact CG1-CE1 4.16Å; I282-Y312 HydrophobicContact CG1-CE2 4.39Å; I282-Y312 HydrophobicContact CG1-CG 3.68Å; I282-K316 WeakPolarHBondContact O-CD 3.12Å; I282-K316 WeakPolarHBondContact O-CE 3.34Å; I282-K316 PolarHBondContact O-NZ 3.26Å
283N93Very high92.6Very high73 Ų7324.2 Ų24.239%0.3913%0.131SC..THydrogen-bonded Turntrans-96.25.6179.6-67.1-3.3000114.5M246 L279 T281 H285M246-N283 VanDerWaalsContact CG-ND2 3.35Å; M246-N283 WeakPolarHBondContact CG-ND2 3.39Å; M246-N283 PolarHBondContact O-ND2 3.49Å; L279-N283 WeakPolarHBondContact O-CB 3.27Å; L279-N283 PolarHBondContact O-N 3.18Å; L279-N283 VanDerWaalsContact O-N 3.14Å; T281-N283 PolarHBondContact O-N 3.48Å; N283-H285 PolarHBondContact O-N 2.83Å
284G91.8Very high92.6Very high28 Ų2823.7 Ų23.729%0.28913%0.134SC..THydrogen-bonded Turntrans79.28.4173.900000116.1A280 T281 G286A280-G284 PolarHBondContact O-N 3.41Å; T281-G284 PolarHBondContact O-N 2.92Å; G284-G286 VanDerWaalsContact C-N 3.26Å; G284-G286 PolarHBondContact O-N 3.08Å
285H94.3Very high92.3Very high57 Ų5725.3 Ų25.326%0.26414%0.143SC..  trans-77.865.4-173.4-61.9-52.1000112.9A245 M246 G248 A280 N283 N287 I288 V289A245-H285 PolarHBondContact O-CD2 2.8Å; M246-H285 PolarHBondContact O-NE2 3.07Å; M246-H285 VanDerWaalsContact O-NE2 3.15Å; G248-H285 VanDerWaalsContact CA-CE1 3.41Å; G248-H285 WeakPolarHBondContact CA-CE1 3.45Å; G248-H285 WeakPolarHBondContact CA-NE2 3.31Å; G248-H285 PolarHBondContact N-NE2 3.19Å; A280-H285 PolarHBondContact O-N 3.3Å; N283-H285 PolarHBondContact O-N 2.83Å; H285-N287 PolarHBondContact O-N 3.14Å; H285-N287 VanDerWaalsContact O-N 3.14Å; H285-I288 HydrophobicContact CB-CB 4.17Å; H285-I288 HydrophobicContact CB-CD1 4.14Å; H285-I288 HydrophobicContact CB-CG1 4.25Å; H285-I288 WeakPolarHBondContact O-CA 3.34Å; H285-I288 WeakPolarHBondContact O-CB 3.42Å; H285-I288 PolarHBondContact O-N 3.37Å; H285-V289 PolarHBondContact O-N 3.44Å
286G90.8Very high92Very high3 Ų334 Ų343%0.03118%0.18CC..Hα-helixtrans-55.7-33.8-175.600000114.2G284 I288 V289 N290 I324G284-G286 VanDerWaalsContact C-N 3.26Å; G284-G286 PolarHBondContact O-N 3.08Å; G286-I288 VanDerWaalsContact C-N 3.25Å; G286-I288 PolarHBondContact O-N 2.97Å; G286-V289 WeakPolarHBondContact O-CB 3.44Å; G286-V289 PolarHBondContact O-N 2.82Å; G286-N290 PolarHBondContact O-N 3.4Å; G286-I324 WeakPolarHBondContact O-CD1 3.06Å
287N92.2Very high91.9Very high88 Ų8834.2 Ų34.247%0.47118%0.182SC..Hα-helixtrans-59.8-36.1173.6-72.9-34.3000112.5H285 L291H285-N287 PolarHBondContact O-N 3.14Å; H285-N287 VanDerWaalsContact O-N 3.14Å; N287-L291 WeakPolarHBondContact O-CG 3.44Å; N287-L291 PolarHBondContact O-N 2.89Å
288I93.8Very high91.6Very high2 Ų236 Ų361%0.0119%0.191CC..Hα-helixtrans-78.3-38.2175-60.3-178.7000111.1A245 P250 A280 H285 G286 N290 L291 L292A245-I288 HydrophobicContact CB-CG2 4.19Å; P250-I288 HydrophobicContact CB-CG1 4.31Å; A280-I288 HydrophobicContact CB-CB 4.18Å; A280-I288 HydrophobicContact CB-CG2 3.85Å; H285-I288 HydrophobicContact CB-CB 4.17Å; H285-I288 HydrophobicContact CB-CD1 4.14Å; H285-I288 HydrophobicContact CB-CG1 4.25Å; H285-I288 WeakPolarHBondContact O-CA 3.34Å; H285-I288 WeakPolarHBondContact O-CB 3.42Å; H285-I288 PolarHBondContact O-N 3.37Å; G286-I288 VanDerWaalsContact C-N 3.25Å; G286-I288 PolarHBondContact O-N 2.97Å; I288-N290 VanDerWaalsContact C-N 3.28Å; I288-N290 PolarHBondContact O-N 3.45Å; I288-L291 PolarHBondContact O-N 3.26Å; I288-L291 VanDerWaalsContact O-N 3.14Å; I288-L292 HydrophobicContact CG2-CD1 3.78Å; I288-L292 HydrophobicContact CG2-CG 3.98Å; I288-L292 WeakPolarHBondContact O-CB 3.45Å; I288-L292 WeakPolarHBondContact O-CG 3.24Å; I288-L292 PolarHBondContact O-N 3.2Å
289V93.4Very high91.3Very high0 Ų036.5 Ų36.50%020%0.195CC..Hα-helixtrans-54.9-46.6172.6175.10000110.5L277 A280 T281 H285 G286 L292 L293 I324 Y325L277-V289 HydrophobicContact CD1-CB 4.4Å; L277-V289 HydrophobicContact CD1-CG1 4Å; L277-V289 HydrophobicContact CD1-CG2 4.44Å; A280-V289 HydrophobicContact CB-CG2 3.95Å; T281-V289 WeakPolarHBondContact OG1-CG2 3.36Å; H285-V289 PolarHBondContact O-N 3.44Å; G286-V289 WeakPolarHBondContact O-CB 3.44Å; G286-V289 PolarHBondContact O-N 2.82Å; V289-L292 PolarHBondContact O-N 3.05Å; V289-L293 HydrophobicContact CG1-CD1 3.79Å; V289-L293 HydrophobicContact CG1-CG 4.48Å; V289-L293 WeakPolarHBondContact O-CB 3.48Å; V289-L293 VanDerWaalsContact O-CG 3.27Å; V289-L293 WeakPolarHBondContact O-CG 3.19Å; V289-L293 PolarHBondContact O-N 3.05Å; V289-I324 HydrophobicContact CG1-CG2 4.1Å; V289-Y325 HydrophobicContact CG1-CE1 4.24Å; V289-Y325 HydrophobicContact CG1-CE2 4.01Å
290N92.2Very high91Very high64 Ų6439.9 Ų39.934%0.34221%0.208SC..Hα-helixtrans-63.4-41.9176.2-171.632.2000112.6G286 I288 S294 I324 Y328G286-N290 PolarHBondContact O-N 3.4Å; I288-N290 VanDerWaalsContact C-N 3.28Å; I288-N290 PolarHBondContact O-N 3.45Å; N290-S294 VanDerWaalsContact O-CB 3.31Å; N290-S294 WeakPolarHBondContact O-CB 3.39Å; N290-S294 PolarHBondContact O-N 2.94Å; N290-S294 PolarHBondContact O-OG 3.34Å; N290-I324 HydrophobicContact CB-CD1 4.05Å; N290-I324 HydrophobicContact CB-CG1 4.41Å; N290-I324 HydrophobicContact CB-CG2 4.03Å; N290-Y328 PolarHBondContact OD1-OH 3.1Å
291L92Very high90.8Very high34 Ų3440.6 Ų40.618%0.17821%0.212CC..Hα-helixtrans-61.5-51.1174.7-74.7166.8000111.6P250 K254 N287 I288 L293 S294 H295P250-L291 HydrophobicContact CB-CD1 4.02Å; K254-L291 HydrophobicContact CG-CD1 4.24Å; K254-L291 HydrophobicContact CG-CD2 4.18Å; N287-L291 WeakPolarHBondContact O-CG 3.44Å; N287-L291 PolarHBondContact O-N 2.89Å; I288-L291 PolarHBondContact O-N 3.26Å; I288-L291 VanDerWaalsContact O-N 3.14Å; L291-L293 PolarHBondContact O-N 3.2Å; L291-S294 PolarHBondContact O-N 3.37Å; L291-S294 PolarHBondContact O-OG 3.05Å; L291-H295 PolarHBondContact O-CD2 2.97Å; L291-H295 PolarHBondContact O-N 2.89Å; L291-H295 VanDerWaalsContact O-N 3.1Å
292L92Very high90.6Very high0 Ų044 Ų440%023%0.227CC..Hα-helixtrans-60.6-44.1-179.7-69.7172.9000112L241 L257 L266 P276 L277 A280 I288 V289 H295 K296 A297L241-L292 HydrophobicContact CD1-CD2 4.27Å; L241-L292 HydrophobicContact CD2-CD2 4Å; L241-L292 HydrophobicContact CG-CD2 4.3Å; L257-L292 HydrophobicContact CD1-CD2 4.28Å; L266-L292 HydrophobicContact CD2-CD2 3.65Å; P276-L292 HydrophobicContact CB-CD1 4.25Å; P276-L292 HydrophobicContact CB-CD2 4.46Å; L277-L292 HydrophobicContact CB-CD1 4.19Å; L277-L292 HydrophobicContact CD1-CB 4.06Å; L277-L292 HydrophobicContact CD1-CD1 4.15Å; A280-L292 HydrophobicContact CB-CD1 4.05Å; I288-L292 HydrophobicContact CG2-CD1 3.78Å; I288-L292 HydrophobicContact CG2-CG 3.98Å; I288-L292 WeakPolarHBondContact O-CB 3.45Å; I288-L292 WeakPolarHBondContact O-CG 3.24Å; I288-L292 PolarHBondContact O-N 3.2Å; V289-L292 PolarHBondContact O-N 3.05Å; L292-H295 CarbonylContact O-C 3.54Å; L292-H295 PolarHBondContact O-N 2.9Å; L292-K296 PolarHBondContact O-N 2.97Å; L292-A297 HydrophobicContact CB-CB 3.96Å; L292-A297 VanDerWaalsContact O-CB 3.27Å; L292-A297 WeakPolarHBondContact O-CB 3.26Å; L292-A297 PolarHBondContact O-N 2.69Å
293L90.8Very high90.5Very high12 Ų1243.4 Ų43.46%0.06322%0.224CC..Hα-helixtrans-66.1-38175.9-69.4170.4000112.3L277 V289 L291 H295 K296 P299 I324 Y325 Y328L277-L293 HydrophobicContact CD1-CG 4.27Å; L277-L293 HydrophobicContact CD2-CD2 3.97Å; V289-L293 HydrophobicContact CG1-CD1 3.79Å; V289-L293 HydrophobicContact CG1-CG 4.48Å; V289-L293 WeakPolarHBondContact O-CB 3.48Å; V289-L293 VanDerWaalsContact O-CG 3.27Å; V289-L293 WeakPolarHBondContact O-CG 3.19Å; V289-L293 PolarHBondContact O-N 3.05Å; L291-L293 PolarHBondContact O-N 3.2Å; L293-H295 PolarHBondContact O-N 3.41Å; L293-K296 PolarHBondContact O-N 3.47Å; L293-P299 HydrophobicContact CD2-CB 4.1Å; L293-P299 HydrophobicContact CD2-CG 4.34Å; L293-I324 HydrophobicContact CD1-CG2 3.8Å; L293-Y325 HydrophobicContact CD1-CD1 3.94Å; L293-Y325 HydrophobicContact CD1-CE1 3.87Å; L293-Y325 HydrophobicContact CD2-CE1 4.34Å; L293-Y328 HydrophobicContact CB-CD1 4.06Å; L293-Y328 HydrophobicContact CB-CD2 3.92Å; L293-Y328 HydrophobicContact CB-CE1 3.91Å; L293-Y328 HydrophobicContact CB-CE2 3.77Å; L293-Y328 HydrophobicContact CB-CG 4.08Å; L293-Y328 HydrophobicContact CD1-CD2 3.73Å; L293-Y328 HydrophobicContact CD1-CE2 4.2Å; L293-Y328 HydrophobicContact CD1-CG 4.14Å; L293-Y328 HydrophobicContact CG-CD2 4.44Å
294S89.2Confident90.4Very high63 Ų6346.4 Ų46.444%0.44123%0.234SC..Hα-helixtrans-62.3-28.2174.278.30000112.8N290 L291 K296 Y328N290-S294 VanDerWaalsContact O-CB 3.31Å; N290-S294 WeakPolarHBondContact O-CB 3.39Å; N290-S294 PolarHBondContact O-N 2.94Å; N290-S294 PolarHBondContact O-OG 3.34Å; L291-S294 PolarHBondContact O-N 3.37Å; L291-S294 PolarHBondContact O-OG 3.05Å; S294-K296 VanDerWaalsContact C-N 3.34Å; S294-Y328 WeakPolarHBondContact CA-OH 3.48Å; S294-Y328 WeakPolarHBondContact CB-OH 3.47Å; S294-Y328 PolarHBondContact N-OH 3.08Å
295H86.8Confident90.2Very high75 Ų7550.1 Ų50.135%0.34725%0.247SC..THydrogen-bonded Turntrans-89.29.7173.7-80.3-94.3000114L257 L266 L291 L292 L293L257-H295 HydrophobicContact CD1-CB 4.43Å; L266-H295 HydrophobicContact CD1-CB 4.1Å; L266-H295 VanDerWaalsContact CD1-O 3.22Å; L266-H295 WeakPolarHBondContact CD1-O 3.49Å; L266-H295 HydrophobicContact CD2-CB 4.22Å; L291-H295 PolarHBondContact O-CD2 2.97Å; L291-H295 PolarHBondContact O-N 2.89Å; L291-H295 VanDerWaalsContact O-N 3.1Å; L292-H295 CarbonylContact O-C 3.54Å; L292-H295 PolarHBondContact O-N 2.9Å; L293-H295 PolarHBondContact O-N 3.41Å
296K85.9Confident90Very high182 Ų18252.9 Ų52.979%0.79126%0.264SS*.THydrogen-bonded Turntrans67.834.4179.8-47.7178.8-178.71790115.5L292 L293 S294L292-K296 PolarHBondContact O-N 2.97Å; L293-K296 PolarHBondContact O-N 3.47Å; S294-K296 VanDerWaalsContact C-N 3.34Å
297A88.7Confident89.9Confident5 Ų553.9 Ų53.94%0.04127%0.27CS..  trans-56.4138.9162.900000110.5L266 L277 L292 P299L266-A297 HydrophobicContact CD2-CB 4.22Å; L277-A297 HydrophobicContact CB-CB 4.45Å; L277-A297 HydrophobicContact CD2-CB 4.1Å; L292-A297 HydrophobicContact CB-CB 3.96Å; L292-A297 VanDerWaalsContact O-CB 3.27Å; L292-A297 WeakPolarHBondContact O-CB 3.26Å; L292-A297 PolarHBondContact O-N 2.69Å; A297-P299 WeakPolarHBondContact O-CD 3.44Å
298N87.2Confident89.9Confident37 Ų3750.1 Ų50.120%0.19825%0.251CS..  trans-81.9115.4-179.6-177.3-4000110.4N267 Y300 L301N267-N298 PolarHBondContact OD1-N 3.08Å; N298-Y300 VanDerWaalsContact C-N 3.34Å; N298-Y300 WeakPolarHBondContact OD1-CB 3.36Å; N298-Y300 VanDerWaalsContact OD1-CD2 3.27Å; N298-Y300 WeakPolarHBondContact OD1-CD2 3.37Å; N298-Y300 PolarHBondContact OD1-N 3.5Å; N298-L301 HydrophobicContact CB-CD1 3.89Å; N298-L301 HydrophobicContact CB-CG 3.87Å; N298-L301 WeakPolarHBondContact ND2-CD2 3.5Å
299P88.1Confident89.7Confident12 Ų1250 Ų508%0.07825%0.25CS..THydrogen-bonded Turntrans-82.9-10.5-178.535.2-35.2000114L277 L293 A297 Y325 V330L277-P299 HydrophobicContact CD2-CB 4.01Å; L293-P299 HydrophobicContact CD2-CB 4.1Å; L293-P299 HydrophobicContact CD2-CG 4.34Å; A297-P299 WeakPolarHBondContact O-CD 3.44Å; P299-Y325 HydrophobicContact CB-CE1 4.07Å; P299-V330 HydrophobicContact CB-CB 4.45Å; P299-V330 HydrophobicContact CB-CG1 3.76Å; P299-V330 HydrophobicContact CB-CG2 3.81Å; P299-V330 HydrophobicContact CG-CB 4.38Å; P299-V330 HydrophobicContact CG-CG1 3.98Å; P299-V330 HydrophobicContact CG-CG2 3.47Å; P299-V330 VanDerWaalsContact CG-CG2 3.47Å
300Y87.5Confident89.5Confident82 Ų8252.6 Ų52.632%0.32226%0.26SS..THydrogen-bonded Turntrans-94-2.6-177.1-48.6-73.4000113.2N298 H302 V330 E333N298-Y300 VanDerWaalsContact C-N 3.34Å; N298-Y300 WeakPolarHBondContact OD1-CB 3.36Å; N298-Y300 VanDerWaalsContact OD1-CD2 3.27Å; N298-Y300 WeakPolarHBondContact OD1-CD2 3.37Å; N298-Y300 PolarHBondContact OD1-N 3.5Å; Y300-H302 PolarHBondContact O-CD2 3.02Å; Y300-H302 PolarHBondContact O-NE2 3.3Å; Y300-V330 HydrophobicContact CE1-CG1 4.22Å; Y300-E333 WeakPolarHBondContact CD1-OE2 3.46Å; Y300-E333 VanDerWaalsContact CE1-CD 3.43Å; Y300-E333 WeakPolarHBondContact CE1-OE1 3.27Å; Y300-E333 WeakPolarHBondContact CE1-OE2 3.31Å; Y300-E333 PolarHBondContact OH-OE1 2.58Å
301L89.8Confident89.4Confident15 Ų1553.3 Ų53.38%0.07926%0.262CS..  trans-66.7142.7170.7-61.8176.1000109.2N267 F269 T275 H278 N298 I347N267-L301 HydrophobicContact CB-CD1 3.88Å; F269-L301 HydrophobicContact CE1-CB 4.19Å; F269-L301 HydrophobicContact CE1-CD1 4.32Å; F269-L301 HydrophobicContact CZ-CB 4.27Å; F269-L301 HydrophobicContact CZ-CD1 4.17Å; F269-L301 HydrophobicContact CZ-CD2 4.16Å; F269-L301 HydrophobicContact CZ-CG 4.41Å; T275-L301 HydrophobicContact CG2-CB 4.33Å; T275-L301 HydrophobicContact CG2-CD1 3.8Å; H278-L301 PolarHBondContact CE1-O 3.14Å; H278-L301 PolarHBondContact NE2-O 3.44Å; H278-L301 VanDerWaalsContact NE2-O 3.14Å; N298-L301 HydrophobicContact CB-CD1 3.89Å; N298-L301 HydrophobicContact CB-CG 3.87Å; N298-L301 WeakPolarHBondContact ND2-CD2 3.5Å; L301-I347 HydrophobicContact CD2-CG2 4.26Å
302H90.2Very high89.3Confident72 Ų7252.6 Ų52.633%0.33326%0.257SS..BIsolated β-bridgetrans-111146.1179.9-62.4175.5000110.5Y300 N306Y300-H302 PolarHBondContact O-CD2 3.02Å; Y300-H302 PolarHBondContact O-NE2 3.3Å; H302-N306 PolarHBondContact ND1-OD1 3.14Å
303D91.1Very high89.3Confident8 Ų852.6 Ų52.64%0.04326%0.257CS..  trans-84.5-174.9171.979.8-3.9000113.1N273 R274 N305 N306 C307 Y312N273-D303 WeakPolarHBondContact O-CA 3.43Å; R274-D303 HydrophobicContact CG-CB 3.51Å; R274-D303 IonicContact CZ-OD2 2.75Å; R274-D303 IonicContact NE-OD2 3.47Å; R274-D303 PolarHBondContact NE-OD2 3.33Å; R274-D303 IonicContact NH2-OD2 3.81Å; D303-N305 PolarHBondContact O-N 2.95Å; D303-N305 VanDerWaalsContact O-N 3.12Å; D303-N305 WeakPolarHBondContact OD1-CA 3.46Å; D303-N305 WeakPolarHBondContact OD1-CB 3.09Å; D303-N305 PolarHBondContact OD1-N 3.33Å; D303-N306 WeakPolarHBondContact O-CA 3.1Å; D303-N306 PolarHBondContact O-N 2.91Å; D303-C307 PolarHBondContact N-O 3.09Å; D303-C307 WeakPolarHBondContact OD1-CB 3.47Å; D303-C307 PolarHBondContact OD1-N 3Å; D303-Y312 VanDerWaalsContact OD2-CE2 3.25Å; D303-Y312 WeakPolarHBondContact OD2-CE2 3.22Å; D303-Y312 VanDerWaalsContact OD2-CZ 3.31Å; D303-Y312 PolarHBondContact OD2-OH 3.36Å
304K90.2Very high89.2Confident136 Ų13655.4 Ų55.459%0.59127%0.271SS*.THydrogen-bonded Turntrans-57.5-22.8177.3-84.8-174.7-173.8177.30114.8S271 E272 N273 N306S271-K304 WeakPolarHBondContact O-CE 3.44Å; S271-K304 PolarHBondContact O-NZ 3.44Å; E272-K304 WeakPolarHBondContact O-CB 3.23Å; E272-K304 WeakPolarHBondContact O-CG 3.46Å; E272-K304 PolarHBondContact O-N 3.46Å; N273-K304 HydrophobicContact CB-CG 4.16Å; K304-N306 PolarHBondContact O-N 2.88Å
305N89.1Confident89.2Confident106 Ų10658.8 Ų58.857%0.56728%0.282SS*.THydrogen-bonded Turntrans-87.211.9176.5-58.7-23.7000111.6D303 C307 Y312D303-N305 PolarHBondContact O-N 2.95Å; D303-N305 VanDerWaalsContact O-N 3.12Å; D303-N305 WeakPolarHBondContact OD1-CA 3.46Å; D303-N305 WeakPolarHBondContact OD1-CB 3.09Å; D303-N305 PolarHBondContact OD1-N 3.33Å; N305-C307 HydrophobicContact CB-CB 4.33Å; N305-C307 PolarHBondContact O-N 2.68Å; N305-C307 VanDerWaalsContact O-N 3.17Å; N305-C307 PolarHBondContact O-SG 2.98Å; N305-Y312 PolarHBondContact ND2-OH 3.32Å
306N88.3Confident89.3Confident115 Ų11560.5 Ų60.562%0.61529%0.288SS*.SBendtrans54.126.6-169.5-157.226.7000112.7H302 D303 K304H302-N306 PolarHBondContact ND1-OD1 3.14Å; D303-N306 WeakPolarHBondContact O-CA 3.1Å; D303-N306 PolarHBondContact O-N 2.91Å; K304-N306 PolarHBondContact O-N 2.88Å
307C89.9Confident89.4Confident23 Ų2360.8 Ų60.816%0.15529%0.285CS..  trans-100.5127.1-175.5-70.30000110.4H278 D303 N305 Q311 Y312H278-C307 PolarHBondContact NE2-O 3.05Å; H278-C307 VanDerWaalsContact NE2-O 3.15Å; D303-C307 PolarHBondContact N-O 3.09Å; D303-C307 WeakPolarHBondContact OD1-CB 3.47Å; D303-C307 PolarHBondContact OD1-N 3Å; N305-C307 HydrophobicContact CB-CB 4.33Å; N305-C307 PolarHBondContact O-N 2.68Å; N305-C307 VanDerWaalsContact O-N 3.17Å; N305-C307 PolarHBondContact O-SG 2.98Å; C307-Q311 VanDerWaalsContact CA-OE1 3.25Å; C307-Y312 HydrophobicContact CB-CD2 4.02Å; C307-Y312 HydrophobicContact CB-CE2 3.4Å
308S91.7Very high89.5Confident10 Ų1062.5 Ų62.57%0.0729%0.293CS..BIsolated β-bridgetrans-81.3158.7171.377.70000111.9Y310 Q311 Y312S308-Y310 PolarHBondContact O-N 2.92Å; S308-Q311 WeakPolarHBondContact O-CB 3.39Å; S308-Q311 PolarHBondContact O-N 3.15Å; S308-Q311 WeakPolarHBondContact OG-CG 3.35Å; S308-Q311 PolarHBondContact OG-N 2.89Å; S308-Y312 WeakPolarHBondContact O-CD2 3.42Å; S308-Y312 PolarHBondContact O-N 3.33Å; S308-Y312 VanDerWaalsContact O-N 3.09Å
309A89.9Confident89.5Confident0 Ų068.8 Ų68.80%032%0.315CS..Hα-helixtrans-56.9-37.2176.500000112.3L277 H278 T281 Q311 Y312 A313 Y325L277-A309 HydrophobicContact CD2-CB 4.46Å; L277-A309 HydrophobicContact CG-CB 4.04Å; H278-A309 PolarHBondContact NE2-N 3.01Å; T281-A309 VanDerWaalsContact CG2-O 3.26Å; T281-A309 WeakPolarHBondContact CG2-O 3.44Å; A309-Q311 PolarHBondContact O-N 3.4Å; A309-Y312 PolarHBondContact O-N 3.04Å; A309-A313 PolarHBondContact O-N 2.94Å; A309-Y325 VanDerWaalsContact CB-OH 3.23Å; A309-Y325 WeakPolarHBondContact CB-OH 3.32Å
310Y89.6Confident89.6Confident53 Ų5371.2 Ų71.221%0.20832%0.324CS..Hα-helixtrans-64.1-36.4174175-107.2000113.3S308 A313 N314 L322 Y325 V330S308-Y310 PolarHBondContact O-N 2.92Å; Y310-A313 WeakPolarHBondContact O-CB 3.27Å; Y310-A313 PolarHBondContact O-N 3.1Å; Y310-N314 WeakPolarHBondContact CE1-ND2 3.42Å; Y310-N314 WeakPolarHBondContact CE2-ND2 3.22Å; Y310-N314 PolarHBondContact O-N 3.33Å; Y310-N314 VanDerWaalsContact O-N 3.14Å; Y310-N314 PolarHBondContact O-ND2 2.75Å; Y310-L322 HydrophobicContact CD2-CD2 4.13Å; Y310-L322 HydrophobicContact CE2-CD2 3.77Å; Y310-Y325 AromaticContact CD2-CD2 3.95Å; Y310-Y325 HydrophobicContact CD2-CD2 3.95Å; Y310-Y325 AromaticContact CD2-CG 3.8Å; Y310-Y325 HydrophobicContact CD2-CG 3.8Å; Y310-V330 HydrophobicContact CD2-CG1 4.37Å; Y310-V330 HydrophobicContact CG-CG1 4.12Å
311Q90Very high89.6Confident80 Ų8067.3 Ų67.337%0.37431%0.309SS..Hα-helixtrans-66.8-41.1174.8-70.8166-9.800111C307 S308 A309 A313 N314 M315C307-Q311 VanDerWaalsContact CA-OE1 3.25Å; S308-Q311 WeakPolarHBondContact O-CB 3.39Å; S308-Q311 PolarHBondContact O-N 3.15Å; S308-Q311 WeakPolarHBondContact OG-CG 3.35Å; S308-Q311 PolarHBondContact OG-N 2.89Å; A309-Q311 PolarHBondContact O-N 3.4Å; Q311-A313 VanDerWaalsContact C-N 3.32Å; Q311-A313 PolarHBondContact O-N 2.89Å; Q311-N314 PolarHBondContact O-N 2.78Å; Q311-N314 VanDerWaalsContact O-N 3.15Å; Q311-M315 VanDerWaalsContact O-CG 3.3Å; Q311-M315 WeakPolarHBondContact O-CG 3.34Å; Q311-M315 PolarHBondContact O-N 2.92Å
312Y90.3Very high89.6Confident19 Ų1967.7 Ų67.78%0.07531%0.311CS..Hα-helixtrans-60.1-38.9172-79.1-70.3000113R274 I282 D303 N305 C307 S308 A309 N314 M315 K316R274-Y312 PolarHBondContact NH2-OH 3.17Å; I282-Y312 HydrophobicContact CD1-CD1 4.27Å; I282-Y312 HydrophobicContact CD1-CD2 4.11Å; I282-Y312 HydrophobicContact CD1-CE1 4.19Å; I282-Y312 HydrophobicContact CD1-CE2 4.02Å; I282-Y312 HydrophobicContact CD1-CG 4.22Å; I282-Y312 HydrophobicContact CG1-CD1 3.77Å; I282-Y312 HydrophobicContact CG1-CD2 4.03Å; I282-Y312 HydrophobicContact CG1-CE1 4.16Å; I282-Y312 HydrophobicContact CG1-CE2 4.39Å; I282-Y312 HydrophobicContact CG1-CG 3.68Å; D303-Y312 VanDerWaalsContact OD2-CE2 3.25Å; D303-Y312 WeakPolarHBondContact OD2-CE2 3.22Å; D303-Y312 VanDerWaalsContact OD2-CZ 3.31Å; D303-Y312 PolarHBondContact OD2-OH 3.36Å; N305-Y312 PolarHBondContact ND2-OH 3.32Å; C307-Y312 HydrophobicContact CB-CD2 4.02Å; C307-Y312 HydrophobicContact CB-CE2 3.4Å; S308-Y312 WeakPolarHBondContact O-CD2 3.42Å; S308-Y312 PolarHBondContact O-N 3.33Å; S308-Y312 VanDerWaalsContact O-N 3.09Å; A309-Y312 PolarHBondContact O-N 3.04Å; Y312-N314 VanDerWaalsContact C-N 3.32Å; Y312-N314 PolarHBondContact O-N 2.8Å; Y312-M315 PolarHBondContact O-N 3.22Å; Y312-K316 WeakPolarHBondContact O-CB 3.21Å; Y312-K316 PolarHBondContact O-N 3.31Å
313A90.5Very high89.6Confident0 Ų068.6 Ų68.60%032%0.318CS..Hα-helixtrans-60.8-40.5174.700000112.2T281 A309 Y310 Q311 R317 L318 C321 L322 Y325T281-A313 HydrophobicContact CG2-CB 3.68Å; A309-A313 PolarHBondContact O-N 2.94Å; Y310-A313 WeakPolarHBondContact O-CB 3.27Å; Y310-A313 PolarHBondContact O-N 3.1Å; Q311-A313 VanDerWaalsContact C-N 3.32Å; Q311-A313 PolarHBondContact O-N 2.89Å; A313-R317 PolarHBondContact O-N 2.89Å; A313-R317 VanDerWaalsContact O-N 3.14Å; A313-L318 PolarHBondContact O-N 2.88Å; A313-C321 HydrophobicContact CB-CB 4.12Å; A313-L322 HydrophobicContact CB-CD2 3.61Å; A313-L322 HydrophobicContact CB-CG 4.02Å; A313-Y325 HydrophobicContact CB-CD2 4.06Å; A313-Y325 HydrophobicContact CB-CE2 3.96Å
314N88.7Confident89.5Confident70 Ų7068.3 Ų68.337%0.37432%0.316SS..Hα-helixtrans-69-49.6176.3-80.1-68000112.1Y310 Q311 Y312 K316 R317 L322Y310-N314 WeakPolarHBondContact CE1-ND2 3.42Å; Y310-N314 WeakPolarHBondContact CE2-ND2 3.22Å; Y310-N314 PolarHBondContact O-N 3.33Å; Y310-N314 VanDerWaalsContact O-N 3.14Å; Y310-N314 PolarHBondContact O-ND2 2.75Å; Q311-N314 PolarHBondContact O-N 2.78Å; Q311-N314 VanDerWaalsContact O-N 3.15Å; Y312-N314 VanDerWaalsContact C-N 3.32Å; Y312-N314 PolarHBondContact O-N 2.8Å; N314-K316 VanDerWaalsContact C-N 3.29Å; N314-K316 PolarHBondContact O-N 2.86Å; N314-R317 PolarHBondContact O-N 3.18Å; N314-L322 HydrophobicContact CB-CD2 4.44Å; N314-L322 WeakPolarHBondContact OD1-CD2 3.45Å
315M88.9Confident89.5Confident135 Ų13561.8 Ų61.867%0.66529%0.288SS*.Hα-helixtrans-58.6-39.8-179.8-69.8172.474.900112.1Q311 Y312Q311-M315 VanDerWaalsContact O-CG 3.3Å; Q311-M315 WeakPolarHBondContact O-CG 3.34Å; Q311-M315 PolarHBondContact O-N 2.92Å; Y312-M315 PolarHBondContact O-N 3.22Å
316K90.1Very high89.5Confident110 Ų11062 Ų6248%0.47829%0.286SS..THydrogen-bonded Turntrans-87.62.6176.8-66.6-164.2173.9-161.70114.5I282 Y312 N314 L318I282-K316 WeakPolarHBondContact O-CD 3.12Å; I282-K316 WeakPolarHBondContact O-CE 3.34Å; I282-K316 PolarHBondContact O-NZ 3.26Å; Y312-K316 WeakPolarHBondContact O-CB 3.21Å; Y312-K316 PolarHBondContact O-N 3.31Å; N314-K316 VanDerWaalsContact C-N 3.29Å; N314-K316 PolarHBondContact O-N 2.86Å; K316-L318 VanDerWaalsContact C-N 3.28Å; K316-L318 HydrophobicContact CB-CD1 3.83Å; K316-L318 HydrophobicContact CB-CG 3.77Å; K316-L318 HydrophobicContact CD-CD1 4.4Å; K316-L318 PolarHBondContact O-N 3.08Å
317R88.3Confident89.4Confident188 Ų18864 Ų6471%0.70929%0.285SS*.THydrogen-bonded Turntrans51.741.3-177.6-59.3-178.9176.8172.6-1113.8A313 N314 Y319A313-R317 PolarHBondContact O-N 2.89Å; A313-R317 VanDerWaalsContact O-N 3.14Å; N314-R317 PolarHBondContact O-N 3.18Å; R317-Y319 VanDerWaalsContact C-N 3.34Å; R317-Y319 VanDerWaalsContact O-CD2 3.28Å; R317-Y319 WeakPolarHBondContact O-CD2 3.47Å; R317-Y319 PolarHBondContact O-N 2.88Å
318L90.2Very high89.2Confident42 Ų4267.2 Ų67.222%0.2229%0.294CS..  trans-81.777.3-176.8-66.9169000111T281 A313 K316 F320 C321 L322T281-L318 WeakPolarHBondContact O-CD1 3.25Å; A313-L318 PolarHBondContact O-N 2.88Å; K316-L318 VanDerWaalsContact C-N 3.28Å; K316-L318 HydrophobicContact CB-CD1 3.83Å; K316-L318 HydrophobicContact CB-CG 3.77Å; K316-L318 HydrophobicContact CD-CD1 4.4Å; K316-L318 PolarHBondContact O-N 3.08Å; L318-F320 VanDerWaalsContact C-N 3.27Å; L318-F320 PolarHBondContact O-N 2.71Å; L318-F320 VanDerWaalsContact O-N 3.15Å; L318-C321 HydrophobicContact CB-CB 3.96Å; L318-C321 WeakPolarHBondContact O-CB 3.3Å; L318-C321 PolarHBondContact O-N 2.98Å; L318-L322 WeakPolarHBondContact O-CG 3.38Å; L318-L322 PolarHBondContact O-N 3.12Å
319Y88.1Confident88.6Confident169 Ų16971.1 Ų71.166%0.66331%0.314SS*.Hα-helixtrans-48-43.9-175.1-63.8-75.4000114R317 L322 L323R317-Y319 VanDerWaalsContact C-N 3.34Å; R317-Y319 VanDerWaalsContact O-CD2 3.28Å; R317-Y319 WeakPolarHBondContact O-CD2 3.47Å; R317-Y319 PolarHBondContact O-N 2.88Å; Y319-L322 PolarHBondContact O-N 3.32Å; Y319-L323 WeakPolarHBondContact O-CB 3.24Å; Y319-L323 VanDerWaalsContact O-CG 3.31Å; Y319-L323 WeakPolarHBondContact O-CG 3.44Å; Y319-L323 PolarHBondContact O-N 3.26Å
320F89.1Confident87.7Confident62 Ų6271.5 Ų71.527%0.27232%0.317SS..Hα-helixtrans-65.3-43.1179.3-174.7-126.9000112.4L318 L323 I324L318-F320 VanDerWaalsContact C-N 3.27Å; L318-F320 PolarHBondContact O-N 2.71Å; L318-F320 VanDerWaalsContact O-N 3.15Å; F320-L323 PolarHBondContact O-N 3.16Å; F320-I324 HydrophobicContact CD1-CD1 4.12Å; F320-I324 HydrophobicContact CD2-CD1 4.45Å; F320-I324 HydrophobicContact CE1-CD1 3.92Å; F320-I324 HydrophobicContact CE2-CD1 4.27Å; F320-I324 HydrophobicContact CG-CD1 4.36Å; F320-I324 HydrophobicContact CZ-CD1 4.01Å; F320-I324 WeakPolarHBondContact O-CD1 3.41Å; F320-I324 VanDerWaalsContact O-CG1 3.29Å; F320-I324 WeakPolarHBondContact O-CG1 3.34Å; F320-I324 PolarHBondContact O-N 2.77Å; F320-I324 VanDerWaalsContact O-N 3.13Å
321C88.6Confident86.4Confident1 Ų170.8 Ų70.81%0.00733%0.325CS..Hα-helixtrans-63.4-41.7173.6-62.60000111.6T281 A313 L318 I324 Y325T281-C321 HydrophobicContact CG2-CB 4.44Å; A313-C321 HydrophobicContact CB-CB 4.12Å; L318-C321 HydrophobicContact CB-CB 3.96Å; L318-C321 WeakPolarHBondContact O-CB 3.3Å; L318-C321 PolarHBondContact O-N 2.98Å; C321-I324 WeakPolarHBondContact O-CB 3.03Å; C321-I324 PolarHBondContact O-N 2.92Å; C321-Y325 HydrophobicContact CB-CE2 4.38Å; C321-Y325 WeakPolarHBondContact O-CD2 3.35Å; C321-Y325 PolarHBondContact O-N 3.1Å
322L89.4Confident84.8Confident23 Ų2374.1 Ų74.112%0.1234%0.339CS..Hα-helixtrans-62.1-46.5177.6-68.5171.8000111.9Y310 A313 N314 L318 Y319 I324 Y325 E326Y310-L322 HydrophobicContact CD2-CD2 4.13Å; Y310-L322 HydrophobicContact CE2-CD2 3.77Å; A313-L322 HydrophobicContact CB-CD2 3.61Å; A313-L322 HydrophobicContact CB-CG 4.02Å; N314-L322 HydrophobicContact CB-CD2 4.44Å; N314-L322 WeakPolarHBondContact OD1-CD2 3.45Å; L318-L322 WeakPolarHBondContact O-CG 3.38Å; L318-L322 PolarHBondContact O-N 3.12Å; Y319-L322 PolarHBondContact O-N 3.32Å; L322-I324 PolarHBondContact O-N 3.27Å; L322-Y325 PolarHBondContact O-N 3.43Å; L322-Y325 VanDerWaalsContact O-N 3.08Å; L322-E326 WeakPolarHBondContact O-CG 3.43Å; L322-E326 PolarHBondContact O-N 3.37Å
323L88.9Confident83Confident90 Ų9075.6 Ų75.647%0.47135%0.346SS..Hα-helixtrans-58.8-33.2174.1-73.1169.8000112.6Y319 F320 R327Y319-L323 WeakPolarHBondContact O-CB 3.24Å; Y319-L323 VanDerWaalsContact O-CG 3.31Å; Y319-L323 WeakPolarHBondContact O-CG 3.44Å; Y319-L323 PolarHBondContact O-N 3.26Å; F320-L323 PolarHBondContact O-N 3.16Å; L323-R327 WeakPolarHBondContact O-CD 3.43Å; L323-R327 WeakPolarHBondContact O-CG 3.47Å; L323-R327 PolarHBondContact O-N 3.32Å
324I90.1Very high80.6Confident2 Ų285 Ų851%0.0139%0.387CS..Hα-helixtrans-70.7-48.4173.3-66158.9000110G286 V289 N290 L293 F320 C321 L322 E326 R327 Y328G286-I324 WeakPolarHBondContact O-CD1 3.06Å; V289-I324 HydrophobicContact CG1-CG2 4.1Å; N290-I324 HydrophobicContact CB-CD1 4.05Å; N290-I324 HydrophobicContact CB-CG1 4.41Å; N290-I324 HydrophobicContact CB-CG2 4.03Å; L293-I324 HydrophobicContact CD1-CG2 3.8Å; F320-I324 HydrophobicContact CD1-CD1 4.12Å; F320-I324 HydrophobicContact CD2-CD1 4.45Å; F320-I324 HydrophobicContact CE1-CD1 3.92Å; F320-I324 HydrophobicContact CE2-CD1 4.27Å; F320-I324 HydrophobicContact CG-CD1 4.36Å; F320-I324 HydrophobicContact CZ-CD1 4.01Å; F320-I324 WeakPolarHBondContact O-CD1 3.41Å; F320-I324 VanDerWaalsContact O-CG1 3.29Å; F320-I324 WeakPolarHBondContact O-CG1 3.34Å; F320-I324 PolarHBondContact O-N 2.77Å; F320-I324 VanDerWaalsContact O-N 3.13Å; C321-I324 WeakPolarHBondContact O-CB 3.03Å; C321-I324 PolarHBondContact O-N 2.92Å; L322-I324 PolarHBondContact O-N 3.27Å; I324-E326 VanDerWaalsContact C-N 3.33Å; I324-E326 PolarHBondContact O-N 3.16Å; I324-R327 WeakPolarHBondContact O-CB 3.37Å; I324-R327 PolarHBondContact O-N 2.97Å; I324-R327 VanDerWaalsContact O-N 3.1Å; I324-Y328 HydrophobicContact CG2-CD2 4.03Å; I324-Y328 HydrophobicContact CG2-CE2 4.07Å; I324-Y328 WeakPolarHBondContact O-CD2 3.33Å; I324-Y328 PolarHBondContact O-N 3.44Å; I324-Y328 VanDerWaalsContact O-N 3.16Å
325Y90.9Very high78.2Confident0 Ų090.9 Ų90.90%041%0.412CS..Hα-helixtrans-58.3-42.2177.8-78.2-58.1000113.1T281 V289 L293 P299 A309 Y310 A313 C321 L322 R327 Y328 N329 V330T281-Y325 HydrophobicContact CG2-CE2 3.97Å; T281-Y325 PolarHBondContact OG1-OH 3.12Å; V289-Y325 HydrophobicContact CG1-CE1 4.24Å; V289-Y325 HydrophobicContact CG1-CE2 4.01Å; L293-Y325 HydrophobicContact CD1-CD1 3.94Å; L293-Y325 HydrophobicContact CD1-CE1 3.87Å; L293-Y325 HydrophobicContact CD2-CE1 4.34Å; P299-Y325 HydrophobicContact CB-CE1 4.07Å; A309-Y325 VanDerWaalsContact CB-OH 3.23Å; A309-Y325 WeakPolarHBondContact CB-OH 3.32Å; Y310-Y325 AromaticContact CD2-CD2 3.95Å; Y310-Y325 HydrophobicContact CD2-CD2 3.95Å; Y310-Y325 AromaticContact CD2-CG 3.8Å; Y310-Y325 HydrophobicContact CD2-CG 3.8Å; A313-Y325 HydrophobicContact CB-CD2 4.06Å; A313-Y325 HydrophobicContact CB-CE2 3.96Å; C321-Y325 HydrophobicContact CB-CE2 4.38Å; C321-Y325 WeakPolarHBondContact O-CD2 3.35Å; C321-Y325 PolarHBondContact O-N 3.1Å; L322-Y325 PolarHBondContact O-N 3.43Å; L322-Y325 VanDerWaalsContact O-N 3.08Å; Y325-R327 VanDerWaalsContact C-N 3.34Å; Y325-R327 PolarHBondContact O-N 3.13Å; Y325-Y328 CarbonylContact O-C 3.58Å; Y325-Y328 PolarHBondContact O-N 3.21Å; Y325-Y328 VanDerWaalsContact O-N 3.1Å; Y325-N329 PolarHBondContact O-N 3.48Å; Y325-N329 VanDerWaalsContact O-N 3.1Å; Y325-V330 HydrophobicContact CD1-CB 3.79Å; Y325-V330 HydrophobicContact CD1-CG1 3.84Å; Y325-V330 HydrophobicContact CD1-CG2 3.9Å; Y325-V330 HydrophobicContact CE1-CG1 4.45Å; Y325-V330 HydrophobicContact CG-CB 4.36Å; Y325-V330 HydrophobicContact CG-CG1 4.49Å; Y325-V330 PolarHBondContact O-N 3.48Å
326E87.1Confident75.8Confident111 Ų11189.4 Ų89.452%0.51940%0.404SS..Hα-helixtrans-59.9-40.6174.1-73.3-178.6165.500112.6L322 I324 Y328 N329L322-E326 WeakPolarHBondContact O-CG 3.43Å; L322-E326 PolarHBondContact O-N 3.37Å; I324-E326 VanDerWaalsContact C-N 3.33Å; I324-E326 PolarHBondContact O-N 3.16Å; E326-Y328 VanDerWaalsContact C-N 3.25Å; E326-Y328 PolarHBondContact O-N 3.3Å; E326-N329 PolarHBondContact O-N 2.96Å
327R87.3Confident73.3Confident155 Ų15589.8 Ų89.859%0.58541%0.411SS*.Hα-helixtrans-62.8-31.1174.7-73.4166.9-179.4-171.31.7112.7L323 I324 Y325 N329L323-R327 WeakPolarHBondContact O-CD 3.43Å; L323-R327 WeakPolarHBondContact O-CG 3.47Å; L323-R327 PolarHBondContact O-N 3.32Å; I324-R327 WeakPolarHBondContact O-CB 3.37Å; I324-R327 PolarHBondContact O-N 2.97Å; I324-R327 VanDerWaalsContact O-N 3.1Å; Y325-R327 VanDerWaalsContact C-N 3.34Å; Y325-R327 PolarHBondContact O-N 3.13Å; R327-N329 VanDerWaalsContact C-N 3.35Å
328Y85.7Confident71Confident91 Ų9189.8 Ų89.836%0.35742%0.419SS..THydrogen-bonded Turntrans-91.29.6174.1-74.3-88.6000113.3N290 L293 S294 I324 Y325 E326 V330N290-Y328 PolarHBondContact OD1-OH 3.1Å; L293-Y328 HydrophobicContact CB-CD1 4.06Å; L293-Y328 HydrophobicContact CB-CD2 3.92Å; L293-Y328 HydrophobicContact CB-CE1 3.91Å; L293-Y328 HydrophobicContact CB-CE2 3.77Å; L293-Y328 HydrophobicContact CB-CG 4.08Å; L293-Y328 HydrophobicContact CD1-CD2 3.73Å; L293-Y328 HydrophobicContact CD1-CE2 4.2Å; L293-Y328 HydrophobicContact CD1-CG 4.14Å; L293-Y328 HydrophobicContact CG-CD2 4.44Å; S294-Y328 WeakPolarHBondContact CA-OH 3.48Å; S294-Y328 WeakPolarHBondContact CB-OH 3.47Å; S294-Y328 PolarHBondContact N-OH 3.08Å; I324-Y328 HydrophobicContact CG2-CD2 4.03Å; I324-Y328 HydrophobicContact CG2-CE2 4.07Å; I324-Y328 WeakPolarHBondContact O-CD2 3.33Å; I324-Y328 PolarHBondContact O-N 3.44Å; I324-Y328 VanDerWaalsContact O-N 3.16Å; Y325-Y328 CarbonylContact O-C 3.58Å; Y325-Y328 PolarHBondContact O-N 3.21Å; Y325-Y328 VanDerWaalsContact O-N 3.1Å; E326-Y328 VanDerWaalsContact C-N 3.25Å; E326-Y328 PolarHBondContact O-N 3.3Å; Y328-V330 PolarHBondContact O-N 2.88Å
329N78.5Confident68.5Low93 Ų9396 Ų9650%0.49744%0.444SS..THydrogen-bonded Turntrans59.514.3-177.1-75.9-50.6000116.4Y325 E326 R327 G331 K332Y325-N329 PolarHBondContact O-N 3.48Å; Y325-N329 VanDerWaalsContact O-N 3.1Å; E326-N329 PolarHBondContact O-N 2.96Å; R327-N329 VanDerWaalsContact C-N 3.35Å; N329-G331 PolarHBondContact O-N 2.92Å; N329-K332 PolarHBondContact OD1-NZ 3.42Å
330V72.2Confident66.4Low8 Ų891 Ų915%0.04843%0.427CS..THydrogen-bonded Turntrans-68.1128.7177.7-176.70000109.5P299 Y300 Y310 Y325 Y328P299-V330 HydrophobicContact CB-CB 4.45Å; P299-V330 HydrophobicContact CB-CG1 3.76Å; P299-V330 HydrophobicContact CB-CG2 3.81Å; P299-V330 HydrophobicContact CG-CB 4.38Å; P299-V330 HydrophobicContact CG-CG1 3.98Å; P299-V330 HydrophobicContact CG-CG2 3.47Å; P299-V330 VanDerWaalsContact CG-CG2 3.47Å; Y300-V330 HydrophobicContact CE1-CG1 4.22Å; Y310-V330 HydrophobicContact CD2-CG1 4.37Å; Y310-V330 HydrophobicContact CG-CG1 4.12Å; Y325-V330 HydrophobicContact CD1-CB 3.79Å; Y325-V330 HydrophobicContact CD1-CG1 3.84Å; Y325-V330 HydrophobicContact CD1-CG2 3.9Å; Y325-V330 HydrophobicContact CE1-CG1 4.45Å; Y325-V330 HydrophobicContact CG-CB 4.36Å; Y325-V330 HydrophobicContact CG-CG1 4.49Å; Y325-V330 PolarHBondContact O-N 3.48Å; Y328-V330 PolarHBondContact O-N 2.88Å
331G61.3Low64Low37 Ų3791.4 Ų91.438%0.38144%0.437SS..THydrogen-bonded Turntrans105.51.5177.900000116.1N329N329-G331 PolarHBondContact O-N 2.92Å
332K56.2Low61.7Low151 Ų15198 Ų9866%0.65747%0.472SS*.  trans-93.56.5177.8-68.7178.1-176.8166.10115N329 K334N329-K332 PolarHBondContact OD1-NZ 3.42Å; K332-K334 PolarHBondContact O-N 3Å
333E52.1Low59.6Low50 Ų50100.5 Ų100.523%0.23449%0.485CS..  trans-91.117.9-161.8-81.9171.9-161.800117.4Y300 Q335 Q336Y300-E333 WeakPolarHBondContact CD1-OE2 3.46Å; Y300-E333 VanDerWaalsContact CE1-CD 3.43Å; Y300-E333 WeakPolarHBondContact CE1-OE1 3.27Å; Y300-E333 WeakPolarHBondContact CE1-OE2 3.31Å; Y300-E333 PolarHBondContact OH-OE1 2.58Å; E333-Q335 PolarHBondContact O-N 2.87Å; E333-Q336 PolarHBondContact O-N 3.28Å; E333-Q336 VanDerWaalsContact O-N 3.13Å
334K41.3Very low57.6Low198 Ų198101.6 Ų101.686%0.86149%0.488SS*.THydrogen-bonded Turntrans-64.324.8174.2-68.5-168172.4-171.50115.4K332K332-K334 PolarHBondContact O-N 3Å
335Q37.4Very low55.5Low193 Ų193106.6 Ų106.690%0.90252%0.515SS*.THydrogen-bonded Turntrans-146.39.6178.9-65.2-170.3-15.600113.5E333E333-Q335 PolarHBondContact O-N 2.87Å
336Q38.1Very low53.4Low104 Ų104110.9 Ų110.949%0.48654%0.537SS..  trans-123.52.4-179.7-70.7-167.6-9.900115.2E333 E338 K339 H340E333-Q336 PolarHBondContact O-N 3.28Å; E333-Q336 VanDerWaalsContact O-N 3.13Å; Q336-E338 PolarHBondContact O-N 2.89Å; Q336-K339 PolarHBondContact O-N 3.17Å; Q336-H340 PolarHBondContact O-N 2.69Å
337D38.1Very low51.8Low118 Ų118107.9 Ų107.963%0.63152%0.524SS*.Hα-helixtrans-57.2-28.5-171.4-58.4-53.6000114K339D337-K339 PolarHBondContact O-N 3.21Å
338E39.9Very low49.9Very low187 Ų187104.9 Ų104.987%0.87452%0.52SS*.Hα-helixtrans-72.9-22.2176.7-65-175.5160.500114.6Q336Q336-E338 PolarHBondContact O-N 2.89Å
339K38.2Very low48Very low172 Ų172106.2 Ų106.275%0.74853%0.529SS*.Hα-helixtrans-93.9-23.5178.2-77.8-176.5177.5175.90113.4Q336 D337Q336-K339 PolarHBondContact O-N 3.17Å; D337-K339 PolarHBondContact O-N 3.21Å
340H43.3Very low46.4Very low65 Ų65107.7 Ų107.730%0.30154%0.536SS..Hα-helixtrans-76-26.2-179.8-85-96.2000113.6Q336 L342 N343 E344Q336-H340 PolarHBondContact O-N 2.69Å; H340-L342 VanDerWaalsContact C-N 3.26Å; H340-L342 PolarHBondContact O-N 2.97Å; H340-N343 CarbonylContact O-C 3.51Å; H340-N343 WeakPolarHBondContact O-CA 3.45Å; H340-N343 WeakPolarHBondContact O-CB 3.29Å; H340-N343 PolarHBondContact O-N 3.15Å; H340-E344 PolarHBondContact O-N 3.14Å
341S39.3Very low45.3Very low71 Ų71109.7 Ų109.750%0.49755%0.549SS..Hα-helixtrans-56.2-36.4174.7-178.90000113.6N343 E344S341-N343 VanDerWaalsContact C-N 3.32Å; S341-N343 PolarHBondContact O-N 3.29Å; S341-E344 PolarHBondContact O-N 3.47Å
342L39.9Very low44.3Very low139 Ų139111.9 Ų111.973%0.72856%0.558SS**Hα-helixtrans-70.7-28.5175.1-74.3165.4000112.7H340H340-L342 VanDerWaalsContact C-N 3.26Å; H340-L342 PolarHBondContact O-N 2.97Å
343N46.5Very low43.2Very low75 Ų75113.1 Ų113.140%0.40156%0.564SS.*Hα-helixtrans-78.2-29.9173.4-100.3-21.1000112.2H340 S341 N345 L346 I347H340-N343 CarbonylContact O-C 3.51Å; H340-N343 WeakPolarHBondContact O-CA 3.45Å; H340-N343 WeakPolarHBondContact O-CB 3.29Å; H340-N343 PolarHBondContact O-N 3.15Å; S341-N343 VanDerWaalsContact C-N 3.32Å; S341-N343 PolarHBondContact O-N 3.29Å; N343-N345 VanDerWaalsContact C-N 3.29Å; N343-N345 PolarHBondContact O-N 2.99Å; N343-L346 PolarHBondContact O-N 3.09Å; N343-L346 VanDerWaalsContact O-N 3.1Å; N343-I347 HydrophobicContact CB-CD1 4.24Å; N343-I347 WeakPolarHBondContact O-CB 3.39Å; N343-I347 VanDerWaalsContact O-CG1 3.24Å; N343-I347 WeakPolarHBondContact O-CG1 3Å; N343-I347 PolarHBondContact O-N 3.26Å
344E46.8Very low42.3Very low114 Ų114120.7 Ų120.753%0.53359%0.59SS.*Hα-helixtrans-58.5-40.1177.8-72-154.6137.700112.2H340 S341 L346 I347 N348H340-E344 PolarHBondContact O-N 3.14Å; S341-E344 PolarHBondContact O-N 3.47Å; E344-L346 VanDerWaalsContact C-N 3.33Å; E344-L346 PolarHBondContact O-N 3.32Å; E344-I347 PolarHBondContact O-N 3.23Å; E344-N348 VanDerWaalsContact O-CB 3.22Å; E344-N348 WeakPolarHBondContact O-CB 3.47Å; E344-N348 PolarHBondContact O-N 2.97Å; E344-N348 PolarHBondContact O-ND2 3.03Å; E344-N348 VanDerWaalsContact O-ND2 3.13Å
345N44.5Very low41.9Very low106 Ų106115.5 Ų115.557%0.56758%0.577SS**Hα-helixtrans-64.1-37.9176.1-70.7-37000112.4N343 N348 E349N343-N345 VanDerWaalsContact C-N 3.29Å; N343-N345 PolarHBondContact O-N 2.99Å; N345-N348 PolarHBondContact O-N 3.07Å; N345-E349 PolarHBondContact O-N 3.37Å
346L47.7Very low41.5Very low90 Ų90112.4 Ų112.447%0.47157%0.571SS.*Hα-helixtrans-72.7-36.9176.3-162.875.9000112.1N343 E344 E349 L350N343-L346 PolarHBondContact O-N 3.09Å; N343-L346 VanDerWaalsContact O-N 3.1Å; E344-L346 VanDerWaalsContact C-N 3.33Å; E344-L346 PolarHBondContact O-N 3.32Å; L346-E349 PolarHBondContact O-N 3.1Å; L346-L350 HydrophobicContact CG-CD1 4.38Å; L346-L350 WeakPolarHBondContact O-CB 3.48Å; L346-L350 VanDerWaalsContact O-CG 3.25Å; L346-L350 WeakPolarHBondContact O-CG 3.24Å; L346-L350 PolarHBondContact O-N 2.98Å
347I53Low41.2Very low49 Ų49110.2 Ų110.225%0.25156%0.562SS.*Hα-helixtrans-66.7-39.8173.6-69.1164000109.8L301 N343 E344 L350 T351L301-I347 HydrophobicContact CD2-CG2 4.26Å; N343-I347 HydrophobicContact CB-CD1 4.24Å; N343-I347 WeakPolarHBondContact O-CB 3.39Å; N343-I347 VanDerWaalsContact O-CG1 3.24Å; N343-I347 WeakPolarHBondContact O-CG1 3Å; N343-I347 PolarHBondContact O-N 3.26Å; E344-I347 PolarHBondContact O-N 3.23Å; I347-L350 PolarHBondContact O-N 3.04Å; I347-T351 HydrophobicContact CG2-CG2 4.19Å; I347-T351 VanDerWaalsContact O-CB 3.31Å; I347-T351 WeakPolarHBondContact O-CB 3.45Å; I347-T351 VanDerWaalsContact O-CG2 3.29Å; I347-T351 WeakPolarHBondContact O-CG2 3.31Å; I347-T351 PolarHBondContact O-N 3.15Å; I347-T351 PolarHBondContact O-OG1 3.14Å
348N48.7Very low40.9Very low91 Ų91109.6 Ų109.649%0.48757%0.565SS.*Hα-helixtrans-66-41175-72.3-27.1000111.2E344 N345 T351 S352E344-N348 VanDerWaalsContact O-CB 3.22Å; E344-N348 WeakPolarHBondContact O-CB 3.47Å; E344-N348 PolarHBondContact O-N 2.97Å; E344-N348 PolarHBondContact O-ND2 3.03Å; E344-N348 VanDerWaalsContact O-ND2 3.13Å; N345-N348 PolarHBondContact O-N 3.07Å; N348-T351 WeakPolarHBondContact CA-OG1 3.41Å; N348-T351 PolarHBondContact O-N 3.2Å; N348-S352 WeakPolarHBondContact O-CB 3.42Å; N348-S352 PolarHBondContact O-N 3.21Å
349E45.7Very low40.6Very low120 Ų120104.6 Ų104.656%0.56154%0.541SS*.Hα-helixtrans-60.8-47.3170.1-79.7-169.4142.100111.7N345 L346 T351 S352N345-E349 PolarHBondContact O-N 3.37Å; L346-E349 PolarHBondContact O-N 3.1Å; E349-T351 VanDerWaalsContact C-N 3.34Å; E349-T351 PolarHBondContact O-N 2.97Å; E349-S352 PolarHBondContact O-N 2.76Å; E349-S352 PolarHBondContact O-OG 3.1Å
350L44.8Very low40.3Very low123 Ų123100.7 Ų100.764%0.64453%0.525SS*.Hα-helixtrans-69.2-25.9-179.4-70.3168.9000114.3L346 I347L346-L350 HydrophobicContact CG-CD1 4.38Å; L346-L350 WeakPolarHBondContact O-CB 3.48Å; L346-L350 VanDerWaalsContact O-CG 3.25Å; L346-L350 WeakPolarHBondContact O-CG 3.24Å; L346-L350 PolarHBondContact O-N 2.98Å; I347-L350 PolarHBondContact O-N 3.04Å
351T48Very low39.7Very low50 Ų50102.2 Ų102.231%0.30754%0.542SS..Hα-helixtrans-96.8-12.6177.1570000113.4F269 I347 N348 E349 F353F269-T351 HydrophobicContact CE2-CG2 4.4Å; I347-T351 HydrophobicContact CG2-CG2 4.19Å; I347-T351 VanDerWaalsContact O-CB 3.31Å; I347-T351 WeakPolarHBondContact O-CB 3.45Å; I347-T351 VanDerWaalsContact O-CG2 3.29Å; I347-T351 WeakPolarHBondContact O-CG2 3.31Å; I347-T351 PolarHBondContact O-N 3.15Å; I347-T351 PolarHBondContact O-OG1 3.14Å; N348-T351 WeakPolarHBondContact CA-OG1 3.41Å; N348-T351 PolarHBondContact O-N 3.2Å; E349-T351 VanDerWaalsContact C-N 3.34Å; E349-T351 PolarHBondContact O-N 2.97Å; T351-F353 PolarHBondContact O-N 2.88Å
352S39.9Very low39.2Very low83 Ų83106.9 Ų106.958%0.5856%0.556SS**  trans-66.4-14174.871.30000114N348 E349 R354N348-S352 WeakPolarHBondContact O-CB 3.42Å; N348-S352 PolarHBondContact O-N 3.21Å; E349-S352 PolarHBondContact O-N 2.76Å; E349-S352 PolarHBondContact O-OG 3.1Å; S352-R354 PolarHBondContact O-N 3.29Å
353F35.1Very low38.7Very low177 Ų177106.4 Ų106.478%0.77655%0.545SS*.  trans-67.767.5165-79.6-80.8000111.4T351T351-F353 PolarHBondContact O-N 2.88Å
354R33.1Very low37.8Very low210 Ų210112 Ų11279%0.79257%0.569SS**  trans-54.5130.1151.7-69.5-175.1176.4-165.6-0.6106.9S352 V356S352-R354 PolarHBondContact O-N 3.29Å; R354-V356 PolarHBondContact O-N 3.17Å
355P31.5Very low36.8Very low88 Ų88109.8 Ų109.857%0.57158%0.577SS**  trans-60.6108.615826.2-30.4000106.3N357P355-N357 PolarHBondContact O-N 3.41Å
356V28.9Very low36Very low128 Ų128114.3 Ų114.378%0.77659%0.592SS**  trans-68.782.3170.4-179.30000106.2R354 P358R354-V356 PolarHBondContact O-N 3.17Å; V356-P358 WeakPolarHBondContact O-CD 3.15Å; V356-P358 WeakPolarHBondContact O-CG 3.5Å
357N33.4Very low35Very low58 Ų58117 Ų11731%0.3161%0.607SS.*  trans-80.5104.2171.5-164.7-4.4000106.3P355 Q359P355-N357 PolarHBondContact O-N 3.41Å; N357-Q359 PolarHBondContact O-N 2.89Å
358P30Very low33.8Very low105 Ų105121.1 Ų121.168%0.68263%0.629SS**THydrogen-bonded Turntrans-7732.8-164-14.732.5000113.5V356V356-P358 WeakPolarHBondContact O-CD 3.15Å; V356-P358 WeakPolarHBondContact O-CG 3.5Å
359Q34.3Very low32.8Very low83 Ų83123.4 Ų123.439%0.38864%0.641SS.*THydrogen-bonded Turntrans-140.8-1.5-146.8-76-161.68.500114.9K196 N357K196-Q359 HydrophobicContact CD-CG 4.43Å; K196-Q359 PolarHBondContact NZ-O 3.12Å; N357-Q359 PolarHBondContact O-N 2.89Å
360F32.6Very low31.9Very low90 Ų90122.1 Ų122.140%0.39565%0.651SS.*  trans-11368.5172-83.5-86.5000111.3Y200 Y363Y200-F360 HydrophobicContact CE1-CE2 4.48Å; Y200-F360 HydrophobicContact CE1-CZ 4.26Å; F360-Y363 HydrophobicContact CD1-CD2 4.22Å; F360-Y363 HydrophobicContact CD1-CE2 4.48Å; F360-Y363 HydrophobicContact CE1-CD2 4.24Å; F360-Y363 HydrophobicContact CE1-CE2 4.13Å
361S29.3Very low31.4Very low96 Ų96124.1 Ų124.167%0.67166%0.656SS**SBendtrans-127.6-13.417154.80000114
362H28.7Very low30.5Very low169 Ų169128.8 Ų128.878%0.78268%0.675SS**  trans-131.980.2179.3-71.5-10.1000111.5
363Y30Very low30Very low129 Ų129131.2 Ų131.251%0.50668%0.681SS.*  trans-116.354.5158.6-99-78.4000109.6F360F360-Y363 HydrophobicContact CD1-CD2 4.22Å; F360-Y363 HydrophobicContact CD1-CE2 4.48Å; F360-Y363 HydrophobicContact CE1-CD2 4.24Å; F360-Y363 HydrophobicContact CE1-CE2 4.13Å
364Q28.1Very low30Very low192 Ų192128.1 Ų128.190%0.89768%0.682SS**SBendtrans-131121.1161.4-75.2-177.3-20.400106.6
365G26.5Very low29.8Very low68 Ų68125.6 Ų125.670%0.70168%0.684SS**  trans99.459.4173.300000117.4
366F27.2Very low30Very low202 Ų202126.8 Ų126.889%0.88669%0.694SS**  trans-128.956.6152.9-93.7-75.8000110.8L368F366-L368 PolarHBondContact O-N 2.84Å
367N26.9Very low30.2Very low145 Ų145129.2 Ų129.278%0.77570%0.697SS**  trans-95.681.9171.7-158.66.4000109.3N369N367-N369 VanDerWaalsContact C-N 3.32Å; N367-N369 PolarHBondContact O-N 3.31Å; N367-N369 VanDerWaalsContact O-N 3.1Å
368L26.8Very low30Very low137 Ų137131 Ų13172%0.71771%0.711SS**  trans-8180.7173.3-81.4167.8000109.9F366F366-L368 PolarHBondContact O-N 2.84Å
369N28.8Very low30.2Very low139 Ų139135 Ų13574%0.74372%0.717SS**  trans-143.198.4161.6-89.9-11.1000107.3N367N367-N369 VanDerWaalsContact C-N 3.32Å; N367-N369 PolarHBondContact O-N 3.31Å; N367-N369 VanDerWaalsContact O-N 3.1Å
370A27.2Very low30.1Very low92 Ų92136.2 Ų136.276%0.7674%0.735SS**  trans-146.385.3179.900000111.5
371H33.1Very low30.2Very low166 Ų166138.2 Ų138.277%0.76976%0.757SS**  trans-138.8116.3146-83.8-70.9000104.1
372Q29.8Very low30.3Very low147 Ų147139.1 Ų139.169%0.68776%0.763SS**  65.312485-70.8-166.2-77.800111.8
373D28.7Very low30.5Very low134 Ų134136.1 Ų136.172%0.71776%0.761SS**  cis-153.3157.41.1-75.2-48.7000109
374S34.8Very low30.8Very low113 Ų113134.6 Ų134.679%0.7977%0.769SS**  trans167.598.6134.965.40000113.6
375D30.1Very low30.9Very low157 Ų157133 Ų13384%0.8477%0.765SS**  trans8.2126.3145.4-54.8-43.5000121.4
376S34.6Very low31.3Very low113 Ų113134.6 Ų134.679%0.7976%0.763SS**  -168.5122.4109.426.50000112.9
377Q33.1Very low31.4Very low178 Ų178131.5 Ų131.583%0.83276%0.756SS**  38.3134.3124.9-59.9-163.917.300119.3
378T30.4Very low31.6Very low97 Ų97130 Ų13060%0.59575%0.752SS**  cis-169.9155.414.28.60000111.9
379K33.5Very low31.7Very low189 Ų189134.2 Ų134.282%0.82276%0.758SS**  trans62.7141.9148.9-66164.4-174.9176.90118.9
380S31.4Very low32Very low108 Ų108133 Ų13376%0.75576%0.758SS**  cis-170.5148.8-22.737.50000108.7
381P35.8Very low32Very low131 Ų131135.6 Ų135.685%0.85176%0.764SS**  trans-115.2164.5-170.241.6-33.3000116.1
382S31.8Very low31.7Very low115 Ų115131.5 Ų131.580%0.80476%0.759SS**  trans-171157.9163.254.80000107.7
383S32.9Very low31.5Very low107 Ų107131.9 Ų131.975%0.74877%0.765SS**  cis-177.6151-8.141.70000107.5
384S34.7Very low31.4Very low96 Ų96130.7 Ų130.767%0.67176%0.763SS**  cis-174133.2-10.9480000112.4
385I30.9Very low31Very low160 Ų160131.7 Ų131.782%0.82176%0.759SS**  trans80.1146.7139.2-64.8168.1000119.2
386P35.3Very low30.8Very low101 Ų101129.2 Ų129.266%0.65675%0.746SS**  trans-123.4-137-167.140.6-18.8000112.8
387D28.2Very low30.6Very low136 Ų136131.5 Ų131.573%0.72774%0.741SS**  trans83.9141.8171.5-60.2-28.8000116.6
388T31.6Very low30.4Very low113 Ų113130.2 Ų130.269%0.69374%0.735SS**  cis-159.9139.246.70000114
389R29Very low30.4Very low226 Ų226131.8 Ų131.885%0.85374%0.739SS**  trans59.4160.3138.1-77.5-173.9177.2-164.1-1.6123.5
390P34.4Very low30.2Very low115 Ų115127.9 Ų127.975%0.74773%0.727SS**  trans-119.7178.4-155.343.9-32.6000115.1
391V27.6Very low30.2Very low145 Ų145130.5 Ų130.588%0.87973%0.727SS**  trans-168.7154.5131.9139.60000112.1
392A26.8Very low30Very low81 Ų81128.7 Ų128.767%0.66972%0.718SS**  trans-61.8177.9-166.400000120.7
393L25.4Very low29.9Very low155 Ų155129.1 Ų129.181%0.81272%0.715SS**  trans98.4112.7149.1-67.4144.6000119.6
394V27.1Very low29.9Very low109 Ų109132 Ų13266%0.66172%0.715SS**  99.1110.2122167.70000120.2
395N26.5Very low29.6Very low133 Ų133135.5 Ų135.571%0.71172%0.721SS**  trans79.8131.1140.6-70.17.2000123.4
396D26.6Very low29.7Very low106 Ų106132 Ų13257%0.56772%0.715SS**  trans78.1118.4132.5-82.42.9000121.8
397K29.3Very low29.6Very low160 Ų160134.6 Ų134.670%0.69672%0.718SS**  trans71.8141.8134.9-63.8166.3-173.4145.80114.6
398Q30.2Very low29.7Very low151 Ų151134.4 Ų134.471%0.70672%0.717SS**  cis-170.5173.210.7-128.9171.9-9.200108.1
399I29.3Very low29.6Very low131 Ų131134 Ų13467%0.67272%0.719SS**  trans70133.4143.9-74.5166000116.7
400N29.3Very low29.5Very low107 Ų107128.5 Ų128.557%0.57272%0.715SS**  cis-166.2153.9-0.1-117.2-7.8000112.5
401Q30.8Very low29.3Very low163 Ų163128.1 Ų128.176%0.76272%0.715SS**  trans65.9149.2137.4-68.6167.72.400120
402S32.3Very low29.5Very low92 Ų92127.2 Ų127.264%0.64371%0.712SS**  cis-165.4149.56.328.90000114.6
403T29Very low29.7Very low124 Ų124129.1 Ų129.176%0.76171%0.711SS**  trans66.2147.7147.753.10000120.2
404K33.7Very low30.2Very low168 Ų168127.8 Ų127.873%0.7370%0.704SS**  cis-158.4139.618.6-128.8156-174.6178.40111.7
405Q28.7Very low30.6Very low170 Ų170128.6 Ų128.679%0.79471%0.705SS**  trans36.1140.3140.3-67165.7-24.500120.5
406A32.2Very low31.1Very low85 Ų85126.8 Ų126.870%0.70270%0.703SS**  cis-163.4139.340.400000116.4
407H33Very low31.6Very low157 Ų157126.7 Ų126.773%0.72770%0.701SS**  trans72.8125.4135.3-76.1-71.8000126.5
408N31Very low31.7Very low132 Ų132127.9 Ų127.971%0.70670%0.702SS**  trans82.395.8143.8-59.4-2.1000118.1
409S28.6Very low32.1Very low105 Ų105128.4 Ų128.473%0.73470%0.702SS**  78.813777.569.60000114.3
410S28.5Very low32.4Very low109 Ų109131.7 Ų131.776%0.76271%0.705SS**  cis178.8140.1-11.347.70000108.3
411S30.3Very low32.5Very low107 Ų107132 Ų13275%0.74871%0.706SS**  trans-169.5152147.751.30000113.6
412P30.8Very low32.7Very low127 Ų127128.4 Ų128.483%0.82570%0.696SS**  trans-110.194.7-171.836.3-22.9000112.2
413L30.7Very low32.7Very low121 Ų121129.9 Ų129.963%0.63470%0.697SS**  trans-132.7-16.9-178.2-100.1152.1000115.6
414N36.6Very low32.8Very low127 Ų127130.6 Ų130.668%0.67970%0.696SS**Hα-helixtrans-80.7-27.4-172.4-70.2-10.9000114.5L417 R418N414-L417 PolarHBondContact O-N 2.81Å; N414-R418 PolarHBondContact O-N 2.57Å; N414-R418 VanDerWaalsContact O-N 3.11Å
415D34.6Very low32.7Very low126 Ų126130 Ų13067%0.67470%0.7SS**Hα-helixtrans-74.5-29.4-176.7-73.9-35.4000114L417 K419D415-L417 VanDerWaalsContact C-N 3.34Å; D415-K419 PolarHBondContact O-N 3.38Å
416S37.9Very low32.5Very low95 Ų95129.1 Ų129.166%0.66470%0.7SS**Hα-helixtrans-73.5-25.4173.7-78.10000113.1
417L35.6Very low32.3Very low103 Ų103131 Ų13154%0.53970%0.702SS.*Hα-helixtrans-78.1-43173.2-77.1166000111.2N414 D415 K419 R420 L421N414-L417 PolarHBondContact O-N 2.81Å; D415-L417 VanDerWaalsContact C-N 3.34Å; L417-K419 PolarHBondContact O-N 3.48Å; L417-R420 PolarHBondContact O-N 3.16Å; L417-R420 VanDerWaalsContact O-N 3.08Å; L417-L421 PolarHBondContact O-N 3.42Å; L417-L421 VanDerWaalsContact O-N 3.11Å
418R33Very low31.9Very low185 Ų185131.4 Ų131.470%0.69870%0.704SS**Hα-helixtrans-56.9-44.8174.8-86.6-174.1161.2-147.8-6.9113N414 R420 L421 T422N414-R418 PolarHBondContact O-N 2.57Å; N414-R418 VanDerWaalsContact O-N 3.11Å; R418-R420 VanDerWaalsContact C-N 3.28Å; R418-R420 PolarHBondContact O-N 2.69Å; R418-L421 PolarHBondContact O-N 2.8Å; R418-T422 PolarHBondContact O-N 3.4Å; R418-T422 PolarHBondContact O-OG1 3.32Å
419K39Very low31.7Very low163 Ų163129.9 Ų129.971%0.70970%0.704SS**Hα-helixtrans-70-16.5176.8-75.5-176.7176.21780115D415 L417 T422D415-K419 PolarHBondContact O-N 3.38Å; L417-K419 PolarHBondContact O-N 3.48Å; K419-T422 PolarHBondContact O-OG1 3.48Å
420R33.8Very low31.5Very low199 Ų199132 Ų13275%0.75171%0.708SS**Hα-helixtrans-88.1-30.7174.8-90.3-179.1162.4174-4.3113.1L417 R418L417-R420 PolarHBondContact O-N 3.16Å; L417-R420 VanDerWaalsContact O-N 3.08Å; R418-R420 VanDerWaalsContact C-N 3.28Å; R418-R420 PolarHBondContact O-N 2.69Å
421L32.7Very low31.3Very low113 Ų113133.5 Ų133.559%0.59271%0.707SS**Hα-helixtrans-76.5-32.7178.2-78.7158.8000112.9L417 R418 N423L417-L421 PolarHBondContact O-N 3.42Å; L417-L421 VanDerWaalsContact O-N 3.11Å; R418-L421 PolarHBondContact O-N 2.8Å; L421-N423 VanDerWaalsContact C-N 3.29Å; L421-N423 PolarHBondContact O-N 2.85Å
422T34.3Very low31.1Very low88 Ų88134.7 Ų134.754%0.5471%0.705SS.*G310 helixtrans-68.9-22.5178.950.70000114.4R418 K419R418-T422 PolarHBondContact O-N 3.4Å; R418-T422 PolarHBondContact O-OG1 3.32Å; K419-T422 PolarHBondContact O-OG1 3.48Å
423N31.9Very low30.8Very low124 Ų124134.8 Ų134.866%0.66370%0.698SS**G310 helixtrans-91.2-0.8-173.3-70.411.2000114.2L421L421-N423 VanDerWaalsContact C-N 3.29Å; L421-N423 PolarHBondContact O-N 2.85Å
424N32.4Very low30.6Very low138 Ų138135.9 Ų135.974%0.73871%0.705SS**G310 helixtrans-1109.4-177.5-74.5-14.4000114.1
425L30.7Very low30.1Very low155 Ų155137.4 Ų137.481%0.81271%0.711SS**SBendtrans-124.216.1-175.6-79167.1000114
426L25.3Very low29.7Very low152 Ų152137 Ų13780%0.79671%0.713SS**  trans-129.2139.1171.3-74.3165000109
427V27.7Very low29Very low125 Ų125140.6 Ų140.676%0.75873%0.725SS**  trans12285.6173.8178.50000112.4
428E25.5Very low28.6Very low165 Ų165143.7 Ų143.777%0.77173%0.734SS**  61.5114.8127.2-63.3168.4-168.300120.3N430E428-N430 PolarHBondContact O-N 2.94Å
429S24.9Very low28.3Very low101 Ų101141.4 Ų141.471%0.70674%0.736SS**  trans-33125.4137.649.90000113.5
430N25.2Very low27.7Very low150 Ų150139.9 Ų139.980%0.80273%0.734SS**  trans-172162.6132-92.8-37.7000112.1E428E428-N430 PolarHBondContact O-N 2.94Å
431N25.3Very low27.4Very low140 Ų140139.9 Ų139.975%0.74974%0.736SS**  trans-62.2172.2-169-61.5-39.8000116.7
432D25.5Very low27Very low132 Ų132138.6 Ų138.671%0.70674%0.736SS**  trans93.1103.4149.5-65.5-47.7000120.7
433N24.8Very low26.8Very low128 Ų128141.5 Ų141.568%0.68475%0.754SS**  48.3118.4121.2-68.6-56.5000120.2
434N25.5Very low26.5Very low144 Ų144143.8 Ų143.877%0.7776%0.76SS**  trans58.5121.2151.6-62.4-37.7000117.7
435I26.6Very low26.2Very low159 Ų159143.4 Ų143.482%0.81576%0.758SS**  171.3122.5118.6-86.8152.7000110.5
436V26.4Very low26.2Very low117 Ų117143.5 Ų143.571%0.70975%0.754SS**  trans21.3101.3146.1-167.90000118.1K438V436-K438 HydrophobicContact CG1-CG 4.44Å
437N24.2Very low26.4Very low172 Ų172142.6 Ų142.692%0.9276%0.755SS**  trans-76120.3157.1-96.8-29.5000110.8
438K26.5Very low26.2Very low167 Ų167141.6 Ų141.673%0.72675%0.754SS**  trans-134.5116.8167.7-111.1-174.3179.4179.10110V436V436-K438 HydrophobicContact CG1-CG 4.44Å
439N26.4Very low26.3Very low138 Ų138139.9 Ų139.974%0.73876%0.757SS**  trans65.4130.7152.9-56.3-7.1000117.7
440I25.9Very low26.3Very low131 Ų131145.9 Ų145.967%0.67276%0.764SS**  122.3144109.4-103.9166.7000109.3
441Y28Very low26.5Very low199 Ų199146.9 Ų146.978%0.7877%0.767SS**  cis-135.1147.6-8.7-110.7-48.4000111.8
442S24.2Very low26.7Very low86 Ų86146.1 Ų146.160%0.60177%0.768SS**  trans-25.4149.7155.254.60000121.7
443T29.8Very low26.7Very low148 Ų148145.5 Ų145.591%0.90877%0.774SS**  trans-132.7145.3132.945.10000110.3
444Q25.6Very low26.8Very low172 Ų172149.4 Ų149.480%0.80479%0.785SS**  trans-105.5172-169.7-66.2176.2-46.600113.1
445N27.4Very low27.1Very low131 Ų131145.6 Ų145.670%0.70178%0.78SS**  trans130127.6151.9-67.3-12.6000111.9
446H30Very low27.3Very low157 Ų157145.2 Ų145.273%0.72778%0.775SS**  cis-151.4144.86.8-101.8-56.2000113.5
447V29Very low27.4Very low132 Ų132147.7 Ų147.780%0.878%0.783SS**  trans68129.7147.1-175.40000121.2
448S24.4Very low27.9Very low105 Ų105145.1 Ų145.173%0.73477%0.773SS**  trans-144.5178171.2-38.80000109.2
449P27.6Very low28.2Very low129 Ų129142.6 Ų142.684%0.83876%0.764SS**  trans-123113.9136.733.1-24.1000109.8
450R24Very low28.5Very low227 Ų227141.7 Ų141.786%0.85776%0.758SS**  77.780.359.3-162.2-173.3-155.2-173.78113.5
451I28.9Very low28.8Very low171 Ų171144.6 Ų144.688%0.87777%0.766SS**  trans-126.4142.8149-62.1-176.5000108.1
452T29.7Very low29.2Very low123 Ų123138.5 Ų138.576%0.75575%0.753SS**  trans-92.2138.9-156.440.80000114.8
453S26.1Very low29.5Very low120 Ų120141.6 Ų141.684%0.83976%0.76SS**  trans-95.399.1173.1450000112.3
454K26.9Very low29.7Very low209 Ų209141.5 Ų141.591%0.90975%0.752SS**  trans-143108.7158.4-77.8-170.7176.5-178.50108.4
455G31Very low30.1Very low65 Ų65138.6 Ų138.667%0.6775%0.751SS**SBendtrans158.1-16.6169.800000120.2
456Q32Very low30.1Very low151 Ų151136.5 Ų136.571%0.70675%0.746SS**  trans-132.717.6-166.9-68.9-171.5-34.900116.7
457L28.4Very low30.2Very low169 Ų169138.2 Ų138.289%0.88575%0.752SS**SBendtrans-91.96.8179.5-110.7153.3000114.5
458T33.2Very low30.3Very low117 Ų117139.5 Ų139.572%0.71875%0.754SS**SBendtrans-112.6-16.4-179.642.10000114.9
459E33.4Very low30.4Very low114 Ų114142.2 Ų142.253%0.53376%0.759SS.*SBendtrans-93.7-20.5-178.4-71-175.412600114.6K461 S462E459-K461 VanDerWaalsContact C-N 3.34Å; E459-K461 PolarHBondContact O-N 2.79Å; E459-S462 PolarHBondContact O-N 2.73Å; E459-S462 PolarHBondContact O-OG 3.44Å; E459-S462 VanDerWaalsContact O-OG 3.08Å
460I32.9Very low30.5Very low120 Ų120144.3 Ų144.362%0.61576%0.757SS**THydrogen-bonded Turntrans-80.9-15.9-175.4-62175.3000112.2I464I460-I464 WeakPolarHBondContact O-CD1 3.25Å
461K32.9Very low30.7Very low191 Ų191140.9 Ų140.983%0.8376%0.756SS**THydrogen-bonded Turntrans-90.7-10.3173.8-75.9-173.5174.7-177.90114.6E459E459-K461 VanDerWaalsContact C-N 3.34Å; E459-K461 PolarHBondContact O-N 2.79Å
462S35.1Very low30.7Very low72 Ų72141 Ų14150%0.50376%0.759SS.*THydrogen-bonded Turntrans-98.1-20.917653.50000113.7E459E459-S462 PolarHBondContact O-N 2.73Å; E459-S462 PolarHBondContact O-OG 3.44Å; E459-S462 VanDerWaalsContact O-OG 3.08Å
463M30.3Very low30.6Very low151 Ų151145 Ų14574%0.74477%0.765SS**THydrogen-bonded Turntrans-86.3-5.6-179.7-71-162.7168.500115.7
464I35.4Very low30.8Very low145 Ų145145 Ų14574%0.74476%0.76SS**THydrogen-bonded Turntrans-93-4.2-177.4-64175.5000112.4I460I460-I464 WeakPolarHBondContact O-CD1 3.25Å
465S32.2Very low30.8Very low112 Ų112144 Ų14478%0.78376%0.756SS**SBendtrans-106.12.9-173.9-166.90000115.5
466S28.7Very low30.7Very low87 Ų87149 Ų14961%0.60877%0.767SS**SBendtrans-157.760.6-166.749.50000115.3
467K32.2Very low30.4Very low192 Ų192148.9 Ų148.984%0.83577%0.771SS**SBendtrans-158.1159.4154.8-102.6138.2-172.2177.50109.9
468D30.7Very low30.4Very low160 Ų160150.4 Ų150.486%0.85677%0.771SS**  trans73.635.8178.1-50.6-16.5000116.7
469I27.3Very low30.2Very low162 Ų162153.4 Ų153.483%0.83177%0.774SS**  trans-94.1136.4144.4-59.6176.6000106.9
470Q29.3Very low30Very low173 Ų173156 Ų15681%0.80879%0.79SS**SBendtrans79.777-170.9-49.8-175.2500116
471N28Very low29.7Very low155 Ų155159.3 Ų159.383%0.82980%0.8SS**  178.291.5123.6-91.3-28.5000111.3
472N29.8Very low29.3Very low174 Ų174161 Ų16193%0.9380%0.801SS**  trans-167.763.9154.1-98-29.7000110.4
473K27.1Very low28.9Very low205 Ų205165.6 Ų165.689%0.89182%0.815SS**  trans-83.1122.8153.6-84-177.1176.6176.90107.2
474V30.1Very low28.9Very low122 Ų122166.5 Ų166.574%0.73982%0.822SS**SBendtrans151.7109.4144.3162.60000109.3
475K26.3Very low28.5Very low186 Ų186167.4 Ų167.481%0.80983%0.827SS**  trans53.698.1153.2-60.4171.1-173177.80117.8
476N30Very low28.4Very low170 Ų170168 Ų16891%0.90983%0.828SS**  -146100.2126.5-100.1-27.8000110.3
477N25.1Very low28.5Very low149 Ų149170.1 Ų170.180%0.79784%0.838SS**  trans-72.2126.9160.1-79.1-31.1000107.4
478F28.9Very low28.2Very low202 Ų202168.4 Ų168.489%0.88684%0.838SS**  -166.7129.6119-103.5-69.4000111.6I480F478-I480 PolarHBondContact O-N 3.46Å
479K28.5Very low28.3Very low179 Ų179169.8 Ų169.878%0.77884%0.836SS**  trans-47.1125.2-175-68156.2173165.20114.3
480I29.2Very low28.4Very low169 Ų169172.5 Ų172.587%0.86784%0.836SS**  trans-89.7114.5141.8-64.8174.8000106.4F478F478-I480 PolarHBondContact O-N 3.46Å
481K26.6Very low28.5Very low190 Ų190169.5 Ų169.583%0.82683%0.829SS**  trans-100.2112.4169.8-107-169.2172.7-169.40108.3
482R25.1Very low28.8Very low225 Ų225169.6 Ų169.685%0.84983%0.825SS**  trans-144.6147.4154.9-131.4176.8-172.5159.21.8108.2
483E25.6Very low28.9Very low170 Ų170171 Ų17179%0.79482%0.817SS**  trans65.5112.8176.3-58.8170.7-166.700115.2
484L30.1Very low29.1Very low169 Ų169168.9 Ų168.989%0.88582%0.815SS**  -177.4144.594.7-88.1167.8000109.7
485L28.3Very low29.2Very low164 Ų164166 Ų16686%0.85981%0.811SS**  trans-68.5137.3176.3-70.2147.8000110.4
486P30.1Very low29.4Very low124 Ų124165 Ų16581%0.80581%0.814SS**  trans-96.5118.3171.933.6-28000111.7
487T29.7Very low29.6Very low133 Ų133161.8 Ų161.882%0.81681%0.805SS**  trans-134.8108.9160.441.90000111.8
488D26.1Very low30Very low155 Ų155160.5 Ų160.583%0.82980%0.802SS**  trans19120.4157.2-62.2-42.2000121.7
489K32.9Very low30.4Very low189 Ų189157 Ų15782%0.82280%0.798SS**  trans-140.6111.3131.1-72.2-167.7-178.3164.90113.5
490R30.4Very low30.7Very low219 Ų219153.5 Ų153.583%0.82679%0.793SS**  trans80.7117.2130.5-69.4-178.2178.9-179.4-1.8121.8
491V30.6Very low30.8Very low111 Ų111150.4 Ų150.467%0.67379%0.786SS**  92.1102.2123174.70000118.8
492H34.2Very low31.3Very low157 Ų157150.3 Ų150.373%0.72779%0.786SS**  trans144.7135.5136.5-78.5-53.7000108.9
493R31.8Very low31.7Very low204 Ų204150.3 Ų150.377%0.7779%0.786SS**  cis-179.6136.9-14.7-130.1-174.9-175171.7-1.3103.6
494N32Very low32.2Very low159 Ų159149.6 Ų149.685%0.8579%0.786SS**  trans69.7133.3164.5-46.8-6.1000117.1
495G32.1Very low32.2Very low63 Ų63146.6 Ų146.665%0.64978%0.779SS**  cis-179.7160.8-7.400000112.7
496N31.1Very low32.7Very low165 Ų165146.8 Ų146.888%0.88278%0.776SS**  trans62.3143.5173.4-50.9-13000114.7
497S33Very low32.9Very low102 Ų102148.2 Ų148.271%0.71377%0.771SS**  cis-174.9150.5-2.738.40000106.8
498T34.5Very low33Very low121 Ų121148.5 Ų148.574%0.74277%0.767SS**  cis-171.8137.52.719.10000110.6
499V36.2Very low33.2Very low130 Ų130147.7 Ų147.779%0.78876%0.762SS**  trans66.3139.9131.2176.20000120
500P35Very low33.2Very low104 Ų104148.2 Ų148.268%0.67577%0.765SS**  cis-146162.5-3442.2-22.5000117.6
501S31.1Very low33.2Very low105 Ų105144.5 Ų144.573%0.73476%0.76SS**  trans15.1138.5138.1-47.20000124.2
502K38Very low33.4Very low187 Ų187147.1 Ų147.181%0.81377%0.765SS**  -175.1122.5103.2-94.2160-174.2176.90110.9
503R33.6Very low33.2Very low226 Ų226147 Ų14785%0.85377%0.77SS**  75125.490.2-121.2-176.5-160.3178.54.9111.1
504I35.2Very low33.5Very low154 Ų154142.1 Ų142.179%0.7976%0.764SS**  cis-151.1153.448.8-80.3143000111.9
505S30.7Very low33.2Very low106 Ų106140.2 Ų140.274%0.74176%0.759SS**  trans-110.4162173.4-44.60000111.5
506Q38.3Very low33.1Very low169 Ų169144.7 Ų144.779%0.7977%0.767SS**  trans142.6143.9159.5-82.6163.414.700109
507Q34.1Very low33.1Very low153 Ų153146.2 Ų146.272%0.71577%0.766SS**  cis-148.6134.4-0.3-101.2142.1-26.300107.4
508I32.5Very low32.9Very low140 Ų140148 Ų14872%0.71877%0.766SS**  72.2102.486.1-63.2176.3000115.4
509D29.8Very low32.6Very low137 Ų137153.3 Ų153.373%0.73377%0.772SS**  trans49.1127.3135.2-50.6-23.3000124.5
510K33.7Very low32.2Very low201 Ų201154.7 Ų154.787%0.87478%0.775SS**  -175.8103128.8-95152-173.1179.90108.3
511L29.9Very low32Very low140 Ų140154.7 Ų154.773%0.73378%0.778SS**  70.111881-74.7171.7000116.2
512Q34.2Very low32.1Very low167 Ų167156.3 Ų156.378%0.7878%0.777SS**  trans77.1103.6145.3-64.5167-36.700121.5
513N29.7Very low31.7Very low154 Ų154155.2 Ų155.282%0.82478%0.775SS**  33.4157.1113.6-70.60.6000121.7
514P38.1Very low31.5Very low101 Ų101149.2 Ų149.266%0.65677%0.767SS**  -143.1-172.3-51.940.3-20.2000113.6
515T27.2Very low31.4Very low119 Ų119147.1 Ų147.173%0.7377%0.766SS**  trans65.2127.2154.147.80000123.5
516L28.3Very low31.4Very low158 Ų158147.3 Ų147.383%0.82777%0.767SS**  trans66.4114.1141.8-63.4168000121.4
517K32.9Very low31.1Very low196 Ų196143.4 Ų143.485%0.85276%0.759SS**  trans174.2119.9130.7-95.9159.5-175.3179.10110
518I28.7Very low31.1Very low140 Ų140142 Ų14272%0.71876%0.757SS**  96.812475.4-82-176000113.9
519R28.2Very low31.2Very low232 Ų232143 Ų14388%0.87576%0.757SS**  trans81.7131.7152.3-90.5170.6-179.4150.50124.3
520N28.1Very low31.4Very low159 Ų159140.5 Ų140.585%0.8575%0.751SS**  trans-67.6147.7156.9-54.6-22.2000112.9
521S29.3Very low31.5Very low104 Ų104137.3 Ų137.373%0.72774%0.744SS**  trans175.4134.5155.948.20000105.5
522I32.7Very low31.7Very low139 Ų139136.3 Ų136.371%0.71374%0.743SS**  cis-171.3135.339.1-110.9152.6000105.6
523Q31.7Very low31.7Very low165 Ų165134.8 Ų134.877%0.77174%0.74SS**  52.9152.2109-69.1175-29.100117.5
524S27.3Very low31.8Very low100 Ų100131.8 Ų131.870%0.69973%0.731SS**  cis174.9124.3-26.851.80000110.3
525S34.9Very low31.7Very low110 Ų110136.1 Ų136.177%0.76974%0.74SS**  trans174.7129.8157.843.40000108.6
526S30Very low31.9Very low109 Ų109140.6 Ų140.676%0.76274%0.743SS**  69.4129.35176.40000113.7
527S32.8Very low32.2Very low87 Ų87138.5 Ų138.561%0.60873%0.733SS**  cis-172.3176.1-4.749.70000110.5
528D32.2Very low32.3Very low125 Ų125135.4 Ų135.467%0.66873%0.725SS**  trans65.4152.6152.2-49.5-34.8000119.4
529H36.2Very low32.5Very low159 Ų159136.4 Ų136.474%0.73673%0.727SS**  cis-147.8149.4-7.1-106.8-40.3000107.1
530S33.9Very low32.9Very low85 Ų85132 Ų13259%0.59472%0.717SS**  58.8140.6102.9110.80000114.9
531D35.6Very low33Very low135 Ų135130.9 Ų130.972%0.72271%0.71SS**  cis-164.7151.119.7-99.7-38.6000113.2
532V34.7Very low32.9Very low118 Ų118135 Ų13572%0.71572%0.718SS**  76115.9126.5174.80000124
533D33.5Very low32.9Very low135 Ų135132.1 Ų132.172%0.72272%0.715SS**  trans70.8112.3136.5-83-41.1000127.3
534S31.6Very low32.7Very low91 Ų91131.5 Ų131.564%0.63672%0.716SS**  85.2144.6112.7-77.90000123.1
535K35.2Very low32.6Very low192 Ų192133.8 Ų133.884%0.83572%0.719SS**  trans79.3142.1169-60.1168.7-169.8168.80115.8
536R31.4Very low32.3Very low214 Ų214134.3 Ų134.381%0.80872%0.723SS**  cis-173.3156.8-21.3-124.5-174.3-170.3176.92.2107.1
537N35Very low32.1Very low114 Ų114140.4 Ų140.461%0.6173%0.729SS**  trans69.4117.8156.7-66.345.2000116.2
538D34.4Very low32.2Very low130 Ų130141.1 Ų141.170%0.69573%0.732SS**  84.7132.494.6-58.2-22.7000110.3
539E34Very low32Very low161 Ų161144.9 Ų144.975%0.75274%0.738SS**  cis-164.2168.316-126.3175.7177.900111.2
540H36.6Very low31.6Very low141 Ų141143.5 Ų143.565%0.65374%0.736SS**  trans74.5112152.8-76.844.6000122.5
541N29.3Very low31.3Very low134 Ų134145.9 Ų145.972%0.71774%0.742SS**  52.2108.3127.4-54.4-23.6000120.6
542E28.7Very low30.9Very low192 Ų192147.3 Ų147.390%0.89774%0.744SS**  -172.3165100.5-106.6-170-174.500113.9
543A32Very low30.6Very low77 Ų77147.4 Ų147.464%0.63675%0.75SS**  trans57.6109.6153.100000122.2
544L28.1Very low30.1Very low152 Ų152147.9 Ų147.980%0.79675%0.751SS**  56.4117122.8-63.1167.3000121.4
545I25.3Very low30Very low149 Ų149149.1 Ų149.176%0.76476%0.759SS**  trans60.5105.3135.2-52.3170.8000117.1
546S28.8Very low29.5Very low121 Ų121146.7 Ų146.785%0.84676%0.755SS**  trans-160.5139.5137.4-88.40000113.3
547R25.1Very low29.4Very low236 Ų236144.1 Ų144.189%0.89176%0.758SS**  trans-82.6-168.6154.1-52.8171163.4178.3-5.8107.8
548P33.9Very low28.9Very low103 Ų103143 Ų14367%0.66976%0.759SS**  cis-125.1-146.3-2630.9-9000110.6
549Y29.6Very low28.6Very low203 Ų203144 Ų14480%0.79677%0.765SS**  trans115107.9164-71-82.1000113.7
550N26.4Very low28.2Very low131 Ų131142.4 Ų142.470%0.70177%0.765SS**  57.1103.177.8-10523.7000113.2
551N28Very low27.7Very low134 Ų134143.9 Ų143.972%0.71777%0.774SS**  178.8153.695.8-90.1-23.4000114.5
552H26.4Very low27.5Very low165 Ų165144.6 Ų144.676%0.76478%0.778SS**  trans-23.8143.3165.5-58.2-86000118.9
553S28.5Very low27.4Very low121 Ų121138.9 Ų138.985%0.84676%0.764SS**  -158.4152.111041.60000111.9
554I24.7Very low27Very low145 Ų145141 Ų14174%0.74477%0.769SS**  trans-102.9132.9-176.5-66159.8000108.1
555S28.8Very low27.1Very low116 Ų116145.2 Ų145.281%0.81178%0.776SS**  trans-147.9131144.662.30000110.8
556N25.2Very low27.1Very low141 Ų141145.1 Ų145.175%0.75478%0.777SS**  trans-74.4142.8170.5-62.2-51.7000108.7
557N28.7Very low27Very low160 Ų160149 Ų14986%0.85678%0.779SS**  -161.4140.8125.4-101-28.4000112.8
558S24.8Very low27.3Very low90 Ų90143.3 Ų143.363%0.62978%0.776SS**  trans-57.9140.4167.448.50000111.8
559N27.6Very low27Very low153 Ų153148 Ų14882%0.81879%0.785SS**  -173.9147.2107.2-91.9-30.6000114.5
560V24.9Very low27.2Very low127 Ų127145.6 Ų145.677%0.7779%0.785SS**  trans-41.3132.4164.81760000112.8
561M26.6Very low27.4Very low171 Ų171146 Ų14684%0.84279%0.787SS**  trans-166143.8131.4-107.3-56.2-174.300113.1
562N24.7Very low27.5Very low149 Ų149144 Ų14480%0.79778%0.784SS**  trans-67.3151.9166.3-63.8-53.2000110.6
563A26.6Very low27.8Very low72 Ų72144.6 Ų144.660%0.59578%0.784SS**  166.1126118.400000112.5
564T24.8Very low28Very low123 Ų123144.9 Ų144.976%0.75578%0.776SS**  trans29.1121.3138.762.30000119.3
565Y28.8Very low28.4Very low239 Ų239144.3 Ų144.394%0.93778%0.779SS**  trans-121.1120.7148.2-131.8-91.6000110.7
566N26.9Very low28.5Very low147 Ų147144.4 Ų144.479%0.78677%0.77SS**  trans-90158.9-176.5-114-31.8000111.2
567K26Very low28.9Very low202 Ų202145.6 Ų145.688%0.87877%0.769SS**  trans-60.9140.5171.4-66.1169175.7173.40111.2
568S31.3Very low29.1Very low118 Ų118146 Ų14683%0.82577%0.77SS**  trans-110.9117.9153.145.60000109.7
569K29Very low29.3Very low200 Ų200150.3 Ų150.387%0.8778%0.778SS**  trans-77.8143.4163.8-78.2175168.1179.60108.7
570I31.8Very low29.5Very low154 Ų154149.8 Ų149.879%0.7978%0.775SS**  trans-138.1122.6144.1-66.2-171000109.1
571N31.3Very low29.8Very low138 Ų138148.9 Ų148.974%0.73877%0.77SS**  trans31.9119.6150.3-60.5-13.4000120
572S30Very low30Very low94 Ų94147.3 Ų147.366%0.65777%0.765SS**  88.5141.45479.20000114.7
573K33.6Very low30.2Very low176 Ų176145.1 Ų145.177%0.76576%0.761SS**  trans91.6138.9169.5-61.5-174.1176.3-169.40115.8
574D32.9Very low30.5Very low128 Ų128147.3 Ų147.368%0.68477%0.772SS**  cis-158.9159.5-1-105.1-25.3000109.4
575V32Very low30.8Very low132 Ų132146.4 Ų146.480%0.877%0.771SS**  trans57.1138.4148.1169.90000119
576D31.6Very low31Very low118 Ų118141.4 Ų141.463%0.63177%0.765SS**  cis167169.1-13-154.21.3000104.7
577K33.2Very low31Very low166 Ų166138.6 Ų138.672%0.72276%0.757SS**  trans63.5114.3157.6-68.6162.1-169.3172.30118.1
578L32.4Very low31.3Very low170 Ų170137.1 Ų137.189%0.8976%0.758SS**  -166.5153.950.6-97.7141.3000111.9
579K29.5Very low31.2Very low179 Ų179137.6 Ų137.678%0.77875%0.751SS**  trans-100.4175.3171.5-70.2-177.5173.6-178.80111.4
580N32.5Very low31.3Very low143 Ų143136.3 Ų136.377%0.76575%0.753SS**  trans99.2141.6158.5-55.8-8.5000115.1
581T30.2Very low31.1Very low107 Ų107133.5 Ų133.566%0.65675%0.747SS**  cis-161.3-166.3-21.3310000107.1
582D31Very low31.1Very low139 Ų139134.6 Ų134.674%0.74375%0.751SS**  trans90106.3159.4-45-8.1000113.8
583S28.9Very low31Very low103 Ų103135.3 Ų135.372%0.7275%0.754SS**  cis99.8146.526.491.50000114.6
584S32.2Very low30.9Very low117 Ų117133.7 Ų133.782%0.81875%0.753SS**  trans67.6153.1-173.685.20000114.4
585S32.3Very low30.7Very low105 Ų105133.2 Ų133.273%0.73476%0.755SS**  cis-163.1178.6-19.4490000106.7
586V31.7Very low30.4Very low133 Ų133135.6 Ų135.681%0.80676%0.758SS**  cis-140.1163.914.4-174.60000108.6
587S28.3Very low30.4Very low89 Ų89141.9 Ų141.962%0.62277%0.772SS**  trans-86.7154.2171.553.20000113.5
588D31.2Very low30.2Very low170 Ų170141.4 Ų141.491%0.90978%0.778SS**  trans-147.9144.7144.9-106-33.1000112.8
589I29Very low30.1Very low129 Ų129139 Ų13966%0.66277%0.772SS**  trans-112.5136.4-168.1-65.9162.2000108.8
590N31.6Very low30Very low172 Ų172139.2 Ų139.292%0.9278%0.778SS**  trans-156.9119.4144-100.2-41.6000112
591S27.5Very low29.9Very low95 Ų95138.3 Ų138.366%0.66478%0.781SS**  trans-86.7148.7178.1-40.50000111
592I30.8Very low30Very low162 Ų162138.3 Ų138.383%0.83178%0.78SS**  trans-162.9127140.1-90.6137.3000106.5
593P29.4Very low29.9Very low109 Ų109137.9 Ų137.971%0.70879%0.785SS**  trans-91.9153.1171.636.8-32.3000111.4
594D31.1Very low29.8Very low141 Ų141143.3 Ų143.375%0.75479%0.79SS**  trans179.8103.4151.2-97-28.9000109
595T28.6Very low29.5Very low118 Ų118145.3 Ų145.372%0.72478%0.784SS**  80.2123.595.751.30000116.1
596E25.6Very low29.3Very low182 Ų182145.8 Ų145.885%0.8578%0.782SS**  trans63100.9157.5-59.8-174.5178.400121.3
597R31Very low29.1Very low250 Ų250145.2 Ų145.294%0.94378%0.781SS**  trans-153.9136.9132.6-110.5165-142-154.65.4112.7
598N28.7Very low28.9Very low156 Ų156147.4 Ų147.483%0.83480%0.795SS**PPolyproline II helixtrans-70.1144.8-163.3-64-51.5000115.1
599P31Very low28.6Very low120 Ų120145.7 Ų145.778%0.77979%0.791SS**PPolyproline II helixtrans-73.9139.416432-32.8000110.9
600M28.4Very low28.4Very low183 Ų183145.1 Ų145.190%0.90180%0.798SS**PPolyproline II helixtrans-64.9138.8169.6-89.3-164.8169.400110.8T602M600-T602 PolarHBondContact O-N 3.47Å
601P30.4Very low28.1Very low125 Ų125146.4 Ų146.481%0.81280%0.799SS**PPolyproline II helixtrans-74.5126-178.229.6-33.7000111.4
602T30.9Very low28Very low106 Ų106149.2 Ų149.265%0.6581%0.805SS**PPolyproline II helixtrans-72.6142.7167.747.40000110.4M600 R604M600-T602 PolarHBondContact O-N 3.47Å; T602-R604 PolarHBondContact O-N 3.02Å
603P29Very low27.8Very low130 Ų130149.1 Ų149.184%0.84481%0.806SS**  trans-74.889.7179.230-33.7000110.5K605P603-K605 PolarHBondContact O-N 3.36Å
604R27.4Very low27.5Very low218 Ų218152.6 Ų152.682%0.82381%0.813SS**  trans-69.5126.3167.3-78.9-168-178.9-148.61.2109.9T602 T606T602-R604 PolarHBondContact O-N 3.02Å; R604-T606 PolarHBondContact O-N 3.13Å
605K25.3Very low27.3Very low159 Ų159150.9 Ų150.969%0.69181%0.812SS**  trans-65.4115.5165.9-64.2-172.9170.8-162.10109.4E236 P603E236-K605 VanDerWaalsContact OE1-CE 3.24Å; E236-K605 WeakPolarHBondContact OE1-CE 3.4Å; E236-K605 IonicContact OE1-NZ 4Å; E236-K605 PolarHBondContact OE1-NZ 3.13Å; P603-K605 PolarHBondContact O-N 3.36Å
606T28.6Very low27.2Very low114 Ų114150.4 Ų150.470%0.69981%0.813SS**  trans-137.5139.8164.746.90000109.1R604R604-T606 PolarHBondContact O-N 3.13Å
607P26.4Very low27.1Very low121 Ų121152.1 Ų152.179%0.78681%0.812SS**  trans-80.2134.1-172.831.6-33.2000111.6T609P607-T609 PolarHBondContact O-N 2.7Å; P607-T609 VanDerWaalsContact O-N 3.14Å
608C24.4Very low26.7Very low136 Ų136148.4 Ų148.492%0.91980%0.803SS**  trans-76.398.5174.7-70.40000111.6
609T26.3Very low26.5Very low134 Ų134146.5 Ų146.582%0.82280%0.802SS**  trans-80.7142.1148.545.70000109.5P607P607-T609 PolarHBondContact O-N 2.7Å; P607-T609 VanDerWaalsContact O-N 3.14Å
610S24.3Very low26.3Very low116 Ų116146.3 Ų146.381%0.81180%0.798SS**  trans-70.8132.1-175.350.70000113.1
611E26Very low26.1Very low199 Ų199145.9 Ų145.993%0.9380%0.799SS**  trans-150150152-121.1163.2-137.500111.6
612I25.5Very low25.9Very low155 Ų155149 Ų14980%0.79580%0.795SS**  trans-98.1134.3-169.9-65.7161.7000108.5
613N25.1Very low25.8Very low159 Ų159150.9 Ų150.985%0.8580%0.797SS**  trans-161.1136.6143.3-106.9-34.8000114.2
614Q24.8Very low25.6Very low182 Ų182149.1 Ų149.185%0.8579%0.787SS**  trans-91.2128.9167-65.8172-3200108.8
615S26.4Very low25.5Very low105 Ų105149.4 Ų149.473%0.73479%0.789SS**  trans-179156.2155.835.30000113
616S26.7Very low25.5Very low108 Ų108148.5 Ų148.576%0.75579%0.791SS**  trans59.5109.7174.263.10000116.7
617W22.8Very low25.5Very low218 Ų218150.9 Ų150.983%0.82680%0.798SS**  cis75108.146.5-73.151.2000117
618K22.9Very low25.5Very low173 Ų173152.4 Ų152.475%0.75279%0.792SS**  trans71.8157.1140.7-67.8-172.6179.4178.80120.8
619S24.9Very low25.5Very low116 Ų116155.1 Ų155.181%0.81178%0.783SS**  trans76.8141.3-178.983.60000114
620V26.3Very low25.5Very low116 Ų116154.7 Ų154.770%0.70378%0.776SS**  cis-133.6131.216.7173.90000111.7Y622V620-Y622 HydrophobicContact CG1-CD2 3.95Å
621L22.8Very low25.8Very low174 Ų174158 Ų15891%0.91178%0.779SS**  trans-82.3127160.6-82.9163.8000109.2
622Y27.5Very low25.9Very low189 Ų189154.6 Ų154.674%0.74177%0.771SS**  trans-144.4122.6167.4-124.8-104.6000114.1V620V620-Y622 HydrophobicContact CG1-CD2 3.95Å
623H28Very low25.9Very low146 Ų146153.7 Ų153.768%0.67677%0.768SS**  trans74.981.1155.2-71.12.5000122.3
624S24.6Very low26.2Very low93 Ų93153.2 Ų153.265%0.6577%0.766SS**  -8.3142.6123.360.20000120
625R25.9Very low26.1Very low225 Ų225153.2 Ų153.285%0.84977%0.768SS**  170.9140.1105.4-97.1176.7-179169.41.2115.6
626L25.2Very low26.2Very low140 Ų140153.6 Ų153.673%0.73377%0.768SS**  trans73.9118.3144.6-66.4163.5000122.4
627L28.4Very low26Very low164 Ų164156.8 Ų156.886%0.85977%0.771SS**  149.286.3128.9-79.7162.5000110.2
628K26.7Very low26.1Very low152 Ų152155.9 Ų155.966%0.66178%0.776SS**  67.9118.883.2-87.4-170.3174.8176.10117.2
629R25.1Very low26.1Very low194 Ų194154.9 Ų154.973%0.73278%0.778SS**  trans72.5147.5142-65.5-172157.5142.7-0.8118.3
630D25.9Very low26.2Very low125 Ų125154.5 Ų154.567%0.66878%0.776SS**  cis-161.8175.6-11.2-94.8-27000108.3
631Q29.8Very low26.1Very low185 Ų185157.5 Ų157.586%0.86478%0.784SS**  trans82.1139.7168.4-50.5-169.410.900117.5
632V28.8Very low26.2Very low127 Ų127156.3 Ų156.377%0.7778%0.779SS**  cis-150.7164.7-2.6118.20000112.1
633N26.1Very low26.2Very low137 Ų137154.6 Ų154.673%0.73378%0.783SS**  trans-77.1174.4-163.3-59.6-44.6000119.2
634N29.8Very low26Very low149 Ų149155.7 Ų155.780%0.79779%0.793SS**  trans10995155.5-58.7-14.5000115.3
635M24.2Very low26.1Very low182 Ų182159.9 Ų159.990%0.89780%0.802SS**  73.2148.875.1-91.8-149.6147.500116.3
636P26.9Very low26.1Very low113 Ų113159.3 Ų159.373%0.73481%0.806SS**  cis-133.4-173.5-16.136.9-17.1000114.9
637Q22.7Very low26.2Very low175 Ų175159.2 Ų159.282%0.81881%0.805SS**  trans-81.2152.6-176.5-58.3156.2-27.700114
638Q25.7Very low26.1Very low199 Ų199156.6 Ų156.693%0.9380%0.8SS**  trans-142.7149.9138-87.5-160.2-14.500111.3
639N23.7Very low26Very low151 Ų151157 Ų15781%0.80781%0.806SS**  trans-86.9147-165.9-58.7-50.1000113.6
640S25.2Very low26Very low108 Ų108154.5 Ų154.576%0.75581%0.807SS**  178.8137.8119.547.70000114
641M25Very low26.2Very low179 Ų179159.2 Ų159.288%0.88282%0.822SS**  trans60.8100.8155.2-61.2-175-173.100120.6
642N24.3Very low26.1Very low149 Ų149154 Ų15480%0.79781%0.806SS**  trans17.1107.5130.9-65.2-7.5000118.5
643N28.1Very low25.9Very low154 Ų154156 Ų15682%0.82481%0.812SS**  178.198.4124.2-89.4-27.8000109.9H645N643-H645 PolarHBondContact O-N 3.23Å
644N24.2Very low26Very low169 Ų169151.1 Ų151.190%0.90479%0.789SS**  trans-82.173.7-175.7-79.8-14.5000113.3
645H27.1Very low25.8Very low180 Ų180149.4 Ų149.483%0.83378%0.779SS**  trans-131.690.1158-74.7-40.9000109.8N643 I647N643-H645 PolarHBondContact O-N 3.23Å; H645-I647 PolarHBondContact O-N 2.93Å
646K26.2Very low25.9Very low213 Ų213146.2 Ų146.293%0.92676%0.757SS**  trans-8594.2174.1-98.2-176.9174.5175.60110.5S648K646-S648 PolarHBondContact O-N 2.91Å
647I26.2Very low25.9Very low139 Ų139146.7 Ų146.771%0.71375%0.753SS**  trans-78106.6164.8-61172.4000108.1H645H645-I647 PolarHBondContact O-N 2.93Å
648S25.6Very low26.1Very low108 Ų108146.2 Ų146.276%0.75575%0.751SS**  trans-87.8105.2173.958.70000111.3K646 N650K646-S648 PolarHBondContact O-N 2.91Å; S648-N650 PolarHBondContact O-N 2.76Å
649M24.8Very low26.3Very low162 Ų162144.6 Ų144.680%0.79874%0.738SS**  trans-81.5110.9169.9-71.6-172.3174.900111
650N26.2Very low26.5Very low140 Ų140146 Ų14675%0.74974%0.739SS**  trans-87.4159.5161.1-91.9-30.3000110.6S648 S652S648-N650 PolarHBondContact O-N 2.76Å; N650-S652 PolarHBondContact O-N 3.48Å
651K29.1Very low26.7Very low225 Ų225149.4 Ų149.498%0.97875%0.749SS**SBendtrans-70.129-168.3-75.5-179172.7176.30116.5
652S27.6Very low27Very low76 Ų76146.1 Ų146.153%0.53173%0.731SS.*SBendtrans-133.3129.6171.552.10000108.4N650 S654N650-S652 PolarHBondContact O-N 3.48Å; S652-S654 VanDerWaalsContact C-N 3.29Å; S652-S654 PolarHBondContact O-N 3.32Å
653N25.1Very low27.2Very low168 Ų168144.6 Ų144.690%0.89872%0.722SS**SBendtrans-67.475.7-172.6-72.3-12.7000113.5
654S27.6Very low27.3Very low35 Ų35141 Ų14125%0.24570%0.702CS.*  trans-134.7113.2168.439.80000109.8S652 Y656S652-S654 VanDerWaalsContact C-N 3.29Å; S652-S654 PolarHBondContact O-N 3.32Å; S654-Y656 WeakPolarHBondContact OG-CE2 3.37Å
655I26.4Very low27.5Very low113 Ų113136 Ų13658%0.57968%0.679SS**  trans-84.2130.4169.6-60.8171.6000106.7L666I655-L666 WeakPolarHBondContact O-CB 3.22Å
656Y26.6Very low27.6Very low114 Ų114131 Ų13145%0.44766%0.658SS.*  trans-108.7141.7173.1-63.9-90.7000109.2S654 I663 P665S654-Y656 WeakPolarHBondContact OG-CE2 3.37Å; Y656-I663 HydrophobicContact CD1-CG2 3.47Å; Y656-I663 VanDerWaalsContact CD1-CG2 3.47Å; Y656-I663 HydrophobicContact CE1-CG2 3.69Å; Y656-I663 HydrophobicContact CG-CG2 4.4Å; Y656-P665 HydrophobicContact CE1-CB 3.99Å
657L27.6Very low27.6Very low124 Ų124127.1 Ų127.165%0.64965%0.647SS**  trans-114.9117.3164.4-76.8167.7000106.2L666L657-L666 HydrophobicContact CD1-CD1 4.47Å
658E26.2Very low27.6Very low164 Ų164128.3 Ų128.377%0.76665%0.652SS**EExtended strand (participates in β ladder)trans-82.2124.6171.9-70.5176.9148.900109.1
659Y28.9Very low27.6Very low166 Ų166131.7 Ų131.765%0.65165%0.653SS**EExtended strand (participates in β ladder)trans-138.5120.2161.2-107.7-89.8000106.3
660E28.2Very low27.6Very low181 Ų181130.8 Ų130.885%0.84665%0.65SS**THydrogen-bonded Turntrans33.289.9171.4-59.8-172.5164.900115.9E662E660-E662 VanDerWaalsContact C-N 3.26Å; E660-E662 PolarHBondContact O-N 2.79Å
661D30.8Very low27.5Very low179 Ų179133.6 Ų133.696%0.95766%0.656SS**THydrogen-bonded Turntrans61.5-0.9165.9-62.2-17.4000119.5
662E29.4Very low27.2Very low109 Ų109128.2 Ų128.251%0.50964%0.643SS.*EExtended strand (participates in β ladder)trans-117.4116.2171-68.5-158.5151.300114.5E660 I664E660-E662 VanDerWaalsContact C-N 3.26Å; E660-E662 PolarHBondContact O-N 2.79Å; E662-I664 PolarHBondContact O-N 3.34Å
663I29.4Very low27.1Very low118 Ų118134.1 Ų134.161%0.60566%0.659SS**EExtended strand (participates in β ladder)trans-80.499.2173.2-58.3175.9000109.8Y656 P665Y656-I663 HydrophobicContact CD1-CG2 3.47Å; Y656-I663 VanDerWaalsContact CD1-CG2 3.47Å; Y656-I663 HydrophobicContact CE1-CG2 3.69Å; Y656-I663 HydrophobicContact CG-CG2 4.4Å; I663-P665 VanDerWaalsContact O-CD 3.3Å; I663-P665 WeakPolarHBondContact O-CD 3.39Å
664I30.3Very low27.1Very low77 Ų77130.9 Ų130.940%0.39565%0.649SS.*  trans-87.4116.1177.7-56176000110.8E662 L666E662-I664 PolarHBondContact O-N 3.34Å; I664-L666 PolarHBondContact O-N 3.43Å
665P28.5Very low26.9Very low65 Ų65135.9 Ų135.942%0.42268%0.679SS.*  trans-75.8108.917229.1-32.8000111.6Y656 I663 N667Y656-P665 HydrophobicContact CE1-CB 3.99Å; I663-P665 VanDerWaalsContact O-CD 3.3Å; I663-P665 WeakPolarHBondContact O-CD 3.39Å; P665-N667 VanDerWaalsContact C-N 3.26Å; P665-N667 PolarHBondContact O-N 3.1Å
666L28.7Very low26.9Very low75 Ų75135.8 Ų135.839%0.39368%0.683SS.*  trans-71.480165.9-85.3154.8000110.5I655 L657 I664 M668I655-L666 WeakPolarHBondContact O-CB 3.22Å; L657-L666 HydrophobicContact CD1-CD1 4.47Å; I664-L666 PolarHBondContact O-N 3.43Å; L666-M668 PolarHBondContact O-N 3.36Å
667N27.3Very low26.8Very low132 Ų132136.8 Ų136.871%0.70670%0.696SS**  trans-73.168.6168.9-101.5-25.5000111.1P665 K669P665-N667 VanDerWaalsContact C-N 3.26Å; P665-N667 PolarHBondContact O-N 3.1Å; N667-K669 VanDerWaalsContact C-N 3.3Å; N667-K669 PolarHBondContact O-N 2.96Å
668M24.8Very low26.7Very low163 Ų163136.6 Ų136.680%0.80371%0.705SS**  trans-69.190161.5-94.4-160.3172.400109.2L666 L670L666-M668 PolarHBondContact O-N 3.36Å; M668-L670 VanDerWaalsContact C-N 3.31Å; M668-L670 PolarHBondContact O-N 2.99Å
669K26Very low26.8Very low180 Ų180132.9 Ų132.978%0.78370%0.697SS**  trans-67.195.6158-83.4-173.4175.1179.60108.3N667 F671N667-K669 VanDerWaalsContact C-N 3.3Å; N667-K669 PolarHBondContact O-N 2.96Å; K669-F671 PolarHBondContact O-N 3.44Å
670L24.6Very low26.9Very low142 Ų142132.2 Ų132.274%0.74370%0.7SS**  trans-55.1100.5161.5-84.7159.6000108.6M668 T672M668-L670 VanDerWaalsContact C-N 3.31Å; M668-L670 PolarHBondContact O-N 2.99Å; L670-T672 PolarHBondContact O-N 3.36Å
671F24.5Very low26.9Very low199 Ų199129.9 Ų129.987%0.87369%0.692SS**  trans-71.580171.7-109.3-85.4000109.1K669K669-F671 PolarHBondContact O-N 3.44Å
672T23.3Very low26.7Very low113 Ų113128.4 Ų128.469%0.69369%0.685SS**  trans-72.7131.3170.5560000109.9L670L670-T672 PolarHBondContact O-N 3.36Å
673K24Very low26.6Very low200 Ų200131.5 Ų131.587%0.8770%0.696SS**SBendtrans78.977.8172.2-54.2-179176.8-179.10117.7
674S25.9Very low26.5Very low100 Ų100132 Ų13270%0.69971%0.705SS**SBend-168.7130.4108.449.50000112.7V676S674-V676 PolarHBondContact O-N 3.36Å
675T24.2Very low26.2Very low140 Ų140136.4 Ų136.486%0.85973%0.728SS**  trans36.379.3156.955.70000118.1
676V26.4Very low26Very low110 Ų110140.3 Ų140.367%0.66775%0.745SS**  trans-93.4112.3160.4175.90000108.7S674 S678 L681S674-V676 PolarHBondContact O-N 3.36Å; V676-S678 PolarHBondContact O-N 3.43Å; V676-L681 HydrophobicContact CG1-CD1 3.86Å
677N23.9Very low25.7Very low135 Ų135141.8 Ų141.872%0.72276%0.761SS**  trans-66.5127.6166.9-84.7-14.5000109.3S679N677-S679 PolarHBondContact O-N 3.46Å
678S25.5Very low25.6Very low120 Ų120143 Ų14384%0.83977%0.767SS**THydrogen-bonded Turntrans-74.413.5-166.347.60000116V676V676-S678 PolarHBondContact O-N 3.43Å
679S29.1Very low25.5Very low87 Ų87142 Ų14261%0.60877%0.765SS**THydrogen-bonded Turntrans-105.8-13.7-170.954.90000116.1N677N677-S679 PolarHBondContact O-N 3.46Å
680H30.3Very low25.4Very low152 Ų152139.9 Ų139.970%0.70476%0.762SS**SBendtrans-106.9-11.5-172.2-86.1-69.3000116.7N682H680-N682 PolarHBondContact O-N 3.48Å
681L28.1Very low25.6Very low131 Ų131140.8 Ų140.869%0.68677%0.768SS**THydrogen-bonded Turntrans-79.1-10.7-176.4-91.1158.9000115.2V676V676-L681 HydrophobicContact CG1-CD1 3.86Å
682N26.1Very low25.7Very low149 Ų149138.5 Ų138.580%0.79777%0.765SS**THydrogen-bonded Turntrans-93.416.1-176.8-75.2-7.4000114.8H680H680-N682 PolarHBondContact O-N 3.48Å
683K27Very low26Very low173 Ų173139.8 Ų139.875%0.75277%0.767SS**SBendtrans-121.3-0.3-172.1-87.6-172.3173.4-177.40117.9
684T27.1Very low26Very low128 Ų128137.2 Ų137.279%0.78576%0.762SS**SBendtrans-12515.1-175.331.60000115.4
685L24Very low26Very low170 Ų170139.7 Ų139.789%0.8977%0.767SS**  trans-122.317.3172.2-88.1164.9000113.4
686L24.4Very low26.1Very low147 Ų147138.3 Ų138.377%0.7776%0.763SS**SBendtrans-82121.7170.7-92.4157.3000109.9N688L686-N688 PolarHBondContact O-N 2.95Å
687C24.2Very low26Very low107 Ų107139.3 Ų139.372%0.72377%0.772SS**  trans-52.7126.5173-60.50000110.2N689C687-N689 PolarHBondContact O-N 3.06Å
688N23.5Very low26.1Very low158 Ų158138 Ų13885%0.84577%0.773SS**  trans-78.857.9174.6-152.225.6000110.7L686 N690L686-N688 PolarHBondContact O-N 2.95Å; N688-N690 VanDerWaalsContact C-N 3.26Å; N688-N690 PolarHBondContact O-N 3.49Å
689N22.9Very low26.2Very low142 Ų142139.5 Ų139.576%0.75977%0.771SS**  trans-72.785.9164.6-85.51.3000107.6C687C687-N689 PolarHBondContact O-N 3.06Å
690N25.3Very low26.1Very low134 Ų134142.2 Ų142.272%0.71778%0.778SS**  trans-175.491.7153.9-92.2-22.2000108.9N688N688-N690 VanDerWaalsContact C-N 3.26Å; N688-N690 PolarHBondContact O-N 3.49Å
691N28.5Very low25.8Very low161 Ų161140.5 Ų140.586%0.86178%0.784SS**  -170.8127.1119.9-91.2-21.7000110.1
692N25.5Very low25.7Very low152 Ų152139.1 Ų139.181%0.81378%0.78SS**  trans-67.5132.8178.7-58.9-45.9000110.1
693N29.3Very low25.6Very low140 Ų140139.6 Ų139.675%0.74978%0.777SS**  -179.2117.1118.9-86.7-20.1000111.2
694L25.2Very low25.6Very low145 Ų145136.5 Ų136.576%0.75978%0.777SS**  trans33.5106.8134.7-68.9135.8000116.1
695L26.3Very low25.5Very low152 Ų152138.3 Ų138.380%0.79677%0.773SS**  -174.4148.769-97.3138.6000113.9
696S24.9Very low25.7Very low111 Ų111137.8 Ų137.878%0.77677%0.77SS**  trans61117.8159.360.60000120.2
697P25.2Very low25.8Very low132 Ų132137.4 Ų137.486%0.85777%0.767SS**  trans-101.3145.6173.937.1-30.7000113.5
698S26.5Very low26Very low107 Ų107138.5 Ų138.575%0.74877%0.766SS**  trans-158.1152.8150.661.80000111.7
699L26.9Very low26.3Very low151 Ų151136.1 Ų136.179%0.79176%0.757SS**SBendtrans77.288.6170.1-63.4158.5000118.8
700N26.9Very low26.6Very low144 Ų144135.1 Ų135.177%0.7775%0.751SS**  trans66.699.7132.9-60.8-7.2000120.3V702N700-V702 PolarHBondContact O-N 3.11Å
701S24.1Very low26.9Very low117 Ų117138.3 Ų138.382%0.81876%0.759SS**  trans-68.6114.8161.256.60000112.6
702V26.5Very low27Very low101 Ų101143.5 Ų143.561%0.61277%0.774SS**  trans-94.1110.8159.8178.80000108.5N700 C704N700-V702 PolarHBondContact O-N 3.11Å; V702-C704 PolarHBondContact O-N 3.08Å
703H23.5Very low27.1Very low159 Ų159143.1 Ų143.174%0.73677%0.772SS**  trans-90.480.2-169.8-16377.4000111.5K705H703-K705 PolarHBondContact O-N 3.4Å
704C27Very low27Very low109 Ų109143.2 Ų143.274%0.73677%0.773SS**  trans-70.191.2176.9-76.20000112.2V702 I706V702-C704 PolarHBondContact O-N 3.08Å; C704-I706 PolarHBondContact O-N 3.11Å
705K25.2Very low27.1Very low165 Ų165143.1 Ų143.172%0.71777%0.774SS**  trans-66.4110.8167.3-79.2-178.5174.7176.30110.3H703 I707H703-K705 PolarHBondContact O-N 3.4Å; K705-I707 PolarHBondContact O-N 3.21Å
706I28Very low27.1Very low160 Ų160142.6 Ų142.682%0.82177%0.773SS**  trans-71.499.3167.9-60.5175.1000108.2C704 N708C704-I706 PolarHBondContact O-N 3.11Å; I706-N708 PolarHBondContact O-N 3.37Å
707I27.1Very low27.2Very low139 Ų139144.6 Ų144.671%0.71377%0.772SS**  trans-79100.6174.3-54.9-179.1000108.3K705 V709K705-I707 PolarHBondContact O-N 3.21Å; I707-V709 HydrophobicContact CG2-CG2 3.68Å; I707-V709 PolarHBondContact O-N 3.34Å
708N27.2Very low27.4Very low129 Ų129145.4 Ų145.469%0.6977%0.767SS**  trans-78.585179-159.913.7000110.4I706 N710I706-N708 PolarHBondContact O-N 3.37Å; N708-N710 VanDerWaalsContact C-N 3.34Å; N708-N710 PolarHBondContact O-N 3.38Å
709V30.2Very low27.4Very low108 Ų108148.1 Ų148.166%0.65577%0.768SS**  trans-81.978.7179.5-171.10000110.7I707 K711I707-V709 HydrophobicContact CG2-CG2 3.68Å; I707-V709 PolarHBondContact O-N 3.34Å; V709-K711 PolarHBondContact O-N 3.42Å
710N29.7Very low27.5Very low121 Ų121147.9 Ų147.965%0.64777%0.766SS**  trans-71.5119.5161.5-76.4-19.5000109.5N708N708-N710 VanDerWaalsContact C-N 3.34Å; N708-N710 PolarHBondContact O-N 3.38Å
711K31.2Very low27.5Very low201 Ų201148.3 Ų148.387%0.87477%0.766SS**  trans-123117.5156.5-78.4-177.8174179.80105.9V709V709-K711 PolarHBondContact O-N 3.42Å
712K30.7Very low27.8Very low270 Ų270151.1 Ų151.1100%1.17476%0.761SS**  cis-87.90-4.6-68.2177174.2-178.80112.2

Retrieved 712 of 712 residues in 123.7 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).