A0A3Q0KLE0_SCHMA Loading...

Putative run and fyve domain containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KLE0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 632 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
1M79.7Confident86.7Confident103 Ų10361.3 Ų61.351%0.50733%0.33SS..  0-61.90-75-173-74.500112.4T3 E4 R5 G216M1-T3 PolarHBondContact O-N 3.2Å; M1-E4 WeakPolarHBondContact CA-OE2 3.08Å; M1-E4 PolarHBondContact N-OE2 3.09Å; M1-E4 CarbonylContact O-C 3.44Å; M1-E4 WeakPolarHBondContact O-CA 3.44Å; M1-E4 WeakPolarHBondContact O-CB 3.49Å; M1-E4 PolarHBondContact O-N 3.04Å; M1-R5 WeakPolarHBondContact O-CG 3.13Å; M1-R5 PolarHBondContact O-N 3.4Å; M1-G216 VanDerWaalsContact SD-C 3.58Å; M1-G216 VanDerWaalsContact SD-CA 3.57Å
2E83.4Confident87.1Confident143 Ų14356.3 Ų56.367%0.66830%0.303SS*.Hα-helixtrans-55-52-175.8-176.5173.3-173.900114.3E4 R5 S6E2-E4 PolarHBondContact O-N 3.3Å; E2-R5 PolarHBondContact O-N 3.43Å; E2-S6 PolarHBondContact O-N 2.72Å
3T83.7Confident87.5Confident100 Ų10059.8 Ų59.861%0.61331%0.314SS*.Hα-helixtrans-59.3-33.6174.7-370000112.5M1 N7M1-T3 PolarHBondContact O-N 3.2Å; T3-N7 VanDerWaalsContact O-CB 3.29Å; T3-N7 WeakPolarHBondContact O-CB 3.39Å; T3-N7 PolarHBondContact O-N 3.43Å; T3-N7 PolarHBondContact O-ND2 3.06Å; T3-N7 PolarHBondContact O-OD1 3.47Å
4E84.1Confident87.6Confident95 Ų9558.2 Ų58.244%0.44431%0.306SS..Hα-helixtrans-73-41.1180-63160.4137.300111.1M1 E2 N7 L8 H65M1-E4 WeakPolarHBondContact CA-OE2 3.08Å; M1-E4 PolarHBondContact N-OE2 3.09Å; M1-E4 CarbonylContact O-C 3.44Å; M1-E4 WeakPolarHBondContact O-CA 3.44Å; M1-E4 WeakPolarHBondContact O-CB 3.49Å; M1-E4 PolarHBondContact O-N 3.04Å; E2-E4 PolarHBondContact O-N 3.3Å; E4-N7 PolarHBondContact O-N 3.1Å; E4-L8 WeakPolarHBondContact O-CB 3.14Å; E4-L8 VanDerWaalsContact O-CG 3.32Å; E4-L8 WeakPolarHBondContact O-CG 3.25Å; E4-L8 PolarHBondContact O-N 3.13Å; E4-H65 WeakPolarHBondContact CB-NE2 3.43Å
5R88.7Confident87.7Confident23 Ų2354.6 Ų54.69%0.08729%0.287CS..Hα-helixtrans-62.6-44.8171.3-63.7-170.7-49.5-119.14.9111.7M1 E2 N7 L8 L9 H65 G216 L218 N221 E223M1-R5 WeakPolarHBondContact O-CG 3.13Å; M1-R5 PolarHBondContact O-N 3.4Å; E2-R5 PolarHBondContact O-N 3.43Å; R5-N7 VanDerWaalsContact C-N 3.34Å; R5-N7 PolarHBondContact O-N 2.74Å; R5-L8 PolarHBondContact O-N 3.13Å; R5-L9 VanDerWaalsContact O-CB 3.25Å; R5-L9 WeakPolarHBondContact O-CB 3.07Å; R5-L9 PolarHBondContact O-N 3.02Å; R5-H65 WeakPolarHBondContact CG-CE1 3.3Å; R5-G216 WeakPolarHBondContact CD-O 3.23Å; R5-G216 PolarHBondContact NH1-O 3.36Å; R5-G216 VanDerWaalsContact NH1-O 3.12Å; R5-L218 HydrophobicContact CG-CB 4.18Å; R5-L218 HydrophobicContact CG-CG 4.5Å; R5-N221 VanDerWaalsContact NH1-CG 3.29Å; R5-N221 PolarHBondContact NH1-ND2 3.04Å; R5-N221 PolarHBondContact NH1-OD1 2.74Å; R5-N221 VanDerWaalsContact NH1-OD1 3.14Å; R5-E223 HydrophobicContact CB-CB 4.2Å; R5-E223 HydrophobicContact CB-CG 3.92Å; R5-E223 WeakPolarHBondContact CB-OE1 3.36Å; R5-E223 IonicContact CZ-OE1 3.63Å; R5-E223 IonicContact CZ-OE2 3.51Å; R5-E223 IonicContact NE-OE1 3.78Å; R5-E223 PolarHBondContact NE-OE1 3.22Å; R5-E223 IonicContact NE-OE2 3.98Å; R5-E223 PolarHBondContact NE-OE2 3.34Å; R5-E223 VanDerWaalsContact NE-OE2 3.1Å; R5-E223 IonicContact NH2-OE1 2.71Å; R5-E223 PolarHBondContact NH2-OE1 3.23Å; R5-E223 IonicContact NH2-OE2 3.38Å
6S88.7Confident87.9Confident60 Ų6051.4 Ų51.442%0.4227%0.27SS..Hα-helixtrans-61.4-42.4177.2-173.80000111.8E2 S10E2-S6 PolarHBondContact O-N 2.72Å; S6-S10 VanDerWaalsContact O-CB 3.32Å; S6-S10 WeakPolarHBondContact O-CB 3.18Å; S6-S10 PolarHBondContact O-N 3.32Å; S6-S10 PolarHBondContact O-OG 3.35Å
7N87.4Confident88Confident66 Ų6656.3 Ų56.335%0.35328%0.284SS..Hα-helixtrans-65.3-49.5174.5-72.7-14.2000111.9T3 E4 R5 L9 S10 I11 Y259T3-N7 VanDerWaalsContact O-CB 3.29Å; T3-N7 WeakPolarHBondContact O-CB 3.39Å; T3-N7 PolarHBondContact O-N 3.43Å; T3-N7 PolarHBondContact O-ND2 3.06Å; T3-N7 PolarHBondContact O-OD1 3.47Å; E4-N7 PolarHBondContact O-N 3.1Å; R5-N7 VanDerWaalsContact C-N 3.34Å; R5-N7 PolarHBondContact O-N 2.74Å; N7-L9 PolarHBondContact O-N 3.39Å; N7-S10 WeakPolarHBondContact O-CB 3.32Å; N7-S10 PolarHBondContact O-N 3.45Å; N7-I11 VanDerWaalsContact O-CG1 3.29Å; N7-I11 WeakPolarHBondContact O-CG1 3.49Å; N7-I11 PolarHBondContact O-N 3.48Å; N7-Y259 HydrophobicContact CB-CE1 4.03Å
8L89Confident88Confident6 Ų655.2 Ų55.23%0.03128%0.279CS..Hα-helixtrans-59.1-46.8177.5-75.8174.4000111.7E4 R5 S10 I11 V12 H61 H65 L218 I257E4-L8 WeakPolarHBondContact O-CB 3.14Å; E4-L8 VanDerWaalsContact O-CG 3.32Å; E4-L8 WeakPolarHBondContact O-CG 3.25Å; E4-L8 PolarHBondContact O-N 3.13Å; R5-L8 PolarHBondContact O-N 3.13Å; L8-S10 VanDerWaalsContact C-N 3.31Å; L8-S10 PolarHBondContact O-N 3.41Å; L8-I11 PolarHBondContact O-N 3.4Å; L8-I11 VanDerWaalsContact O-N 3.13Å; L8-V12 WeakPolarHBondContact O-CG2 3.14Å; L8-V12 PolarHBondContact O-N 3.44Å; L8-H61 HydrophobicContact CD1-CB 4.43Å; L8-H61 HydrophobicContact CD2-CB 3.7Å; L8-H65 HydrophobicContact CD1-CB 3.87Å; L8-L218 HydrophobicContact CB-CD1 3.75Å; L8-L218 HydrophobicContact CD1-CD1 3.85Å; L8-L218 HydrophobicContact CG-CD1 4.48Å; L8-I257 HydrophobicContact CD2-CD1 3.67Å
9L91.2Very high88Confident18 Ų1852.3 Ų52.39%0.09426%0.264CS..Hα-helixtrans-60.4-40.7176176.162.2000112R5 N7 I11 V12 K13 E223 V226 V227 L230R5-L9 VanDerWaalsContact O-CB 3.25Å; R5-L9 WeakPolarHBondContact O-CB 3.07Å; R5-L9 PolarHBondContact O-N 3.02Å; N7-L9 PolarHBondContact O-N 3.39Å; L9-I11 VanDerWaalsContact C-N 3.31Å; L9-I11 PolarHBondContact O-N 3.39Å; L9-V12 PolarHBondContact O-N 3.09Å; L9-K13 HydrophobicContact CD1-CD 4.47Å; L9-K13 HydrophobicContact CD1-CG 4.5Å; L9-K13 HydrophobicContact CG-CD 4.32Å; L9-K13 WeakPolarHBondContact O-CB 3.47Å; L9-K13 VanDerWaalsContact O-CG 3.29Å; L9-K13 WeakPolarHBondContact O-CG 3.29Å; L9-K13 PolarHBondContact O-N 3.18Å; L9-E223 HydrophobicContact CB-CB 4.34Å; L9-E223 HydrophobicContact CD2-CB 4.04Å; L9-E223 HydrophobicContact CD2-CG 3.91Å; L9-V226 HydrophobicContact CD1-CB 3.81Å; L9-V226 HydrophobicContact CD1-CG1 3.72Å; L9-V226 HydrophobicContact CD2-CB 4.36Å; L9-V226 HydrophobicContact CD2-CG1 4.48Å; L9-V227 HydrophobicContact CD1-CG2 3.81Å; L9-L230 HydrophobicContact CD1-CD1 4.06Å
10S89.1Confident88Confident55 Ų5552.2 Ų52.239%0.38526%0.264SS..Hα-helixtrans-64.1-38175.9-61.40000111.6S6 N7 L8 K13 L14S6-S10 VanDerWaalsContact O-CB 3.32Å; S6-S10 WeakPolarHBondContact O-CB 3.18Å; S6-S10 PolarHBondContact O-N 3.32Å; S6-S10 PolarHBondContact O-OG 3.35Å; N7-S10 WeakPolarHBondContact O-CB 3.32Å; N7-S10 PolarHBondContact O-N 3.45Å; L8-S10 VanDerWaalsContact C-N 3.31Å; L8-S10 PolarHBondContact O-N 3.41Å; S10-K13 PolarHBondContact O-N 2.78Å; S10-L14 WeakPolarHBondContact O-CG 3.3Å; S10-L14 PolarHBondContact O-N 3.48Å; S10-L14 VanDerWaalsContact O-N 3.08Å
11I89.4Confident88Confident5 Ų559 Ų593%0.02629%0.286CS..Hα-helixtrans-71.3-43176.9-67.4172.2000111.3N7 L8 L9 K13 L14 V15 V58 I257 Y259 Y262N7-I11 VanDerWaalsContact O-CG1 3.29Å; N7-I11 WeakPolarHBondContact O-CG1 3.49Å; N7-I11 PolarHBondContact O-N 3.48Å; L8-I11 PolarHBondContact O-N 3.4Å; L8-I11 VanDerWaalsContact O-N 3.13Å; L9-I11 VanDerWaalsContact C-N 3.31Å; L9-I11 PolarHBondContact O-N 3.39Å; I11-K13 VanDerWaalsContact C-N 3.31Å; I11-K13 PolarHBondContact O-N 3.13Å; I11-L14 PolarHBondContact O-N 3.24Å; I11-V15 HydrophobicContact CG2-CG2 4.18Å; I11-V15 WeakPolarHBondContact O-CB 3.34Å; I11-V15 WeakPolarHBondContact O-CG2 3.45Å; I11-V15 PolarHBondContact O-N 3.07Å; I11-V58 HydrophobicContact CB-CG1 4.5Å; I11-V58 HydrophobicContact CG2-CB 4.34Å; I11-V58 HydrophobicContact CG2-CG1 3.94Å; I11-V58 HydrophobicContact CG2-CG2 3.44Å; I11-V58 VanDerWaalsContact CG2-CG2 3.44Å; I11-I257 HydrophobicContact CD1-CG2 3.77Å; I11-Y259 HydrophobicContact CD1-CD1 3.83Å; I11-Y259 HydrophobicContact CD1-CE1 3.71Å; I11-Y262 HydrophobicContact CD1-CD2 3.73Å; I11-Y262 HydrophobicContact CD1-CE2 4.1Å; I11-Y262 HydrophobicContact CD1-CG 4.04Å; I11-Y262 HydrophobicContact CG1-CD1 4.03Å; I11-Y262 HydrophobicContact CG1-CD2 3.96Å; I11-Y262 HydrophobicContact CG1-CE1 4.46Å; I11-Y262 HydrophobicContact CG1-CE2 4.39Å; I11-Y262 HydrophobicContact CG1-CG 3.75Å; I11-Y262 HydrophobicContact CG2-CD1 4.07Å; I11-Y262 HydrophobicContact CG2-CD2 4.42Å; I11-Y262 HydrophobicContact CG2-CE1 3.66Å; I11-Y262 HydrophobicContact CG2-CE2 4.04Å; I11-Y262 HydrophobicContact CG2-CG 4.43Å
12V91.3Very high88.3Confident2 Ų257.5 Ų57.51%0.01228%0.28CS..Hα-helixtrans-56.1-46.9171.7175.40000110.3L8 L9 L14 V15 V16 V58 V227 L230L8-V12 WeakPolarHBondContact O-CG2 3.14Å; L8-V12 PolarHBondContact O-N 3.44Å; L9-V12 PolarHBondContact O-N 3.09Å; V12-L14 VanDerWaalsContact C-N 3.34Å; V12-L14 PolarHBondContact O-N 3.01Å; V12-V15 PolarHBondContact O-N 3.48Å; V12-V16 HydrophobicContact CG1-CG2 3.89Å; V12-V16 VanDerWaalsContact O-CB 3.31Å; V12-V16 WeakPolarHBondContact O-CB 3.33Å; V12-V16 VanDerWaalsContact O-CG2 3.3Å; V12-V16 WeakPolarHBondContact O-CG2 3.41Å; V12-V16 PolarHBondContact O-N 2.84Å; V12-V58 HydrophobicContact CB-CG1 4.5Å; V12-V58 HydrophobicContact CG2-CG1 3.44Å; V12-V58 VanDerWaalsContact CG2-CG1 3.44Å; V12-V227 HydrophobicContact CB-CG2 4.34Å; V12-V227 HydrophobicContact CG1-CG1 4.48Å; V12-V227 HydrophobicContact CG1-CG2 4.36Å; V12-V227 HydrophobicContact CG2-CG1 4.46Å; V12-V227 HydrophobicContact CG2-CG2 4.03Å; V12-L230 HydrophobicContact CG1-CB 4.05Å; V12-L230 HydrophobicContact CG1-CD1 3.88Å
13K91.4Very high88.3Confident101 Ų10150.9 Ų50.944%0.43925%0.25SC..Hα-helixtrans-58.5-41.8177.6-76.5171.2178.81740113L9 S10 I11 R17 L230L9-K13 HydrophobicContact CD1-CD 4.47Å; L9-K13 HydrophobicContact CD1-CG 4.5Å; L9-K13 HydrophobicContact CG-CD 4.32Å; L9-K13 WeakPolarHBondContact O-CB 3.47Å; L9-K13 VanDerWaalsContact O-CG 3.29Å; L9-K13 WeakPolarHBondContact O-CG 3.29Å; L9-K13 PolarHBondContact O-N 3.18Å; S10-K13 PolarHBondContact O-N 2.78Å; I11-K13 VanDerWaalsContact C-N 3.31Å; I11-K13 PolarHBondContact O-N 3.13Å; K13-R17 WeakPolarHBondContact O-CB 3.31Å; K13-R17 PolarHBondContact O-N 2.67Å; K13-L230 HydrophobicContact CG-CD1 3.51Å; K13-L230 HydrophobicContact CG-CD2 4.45Å
14L89.3Confident88.3Confident38 Ų3852.8 Ų52.820%0.19925%0.25CC..Hα-helixtrans-66.3-53.6176.2-69.8169.8000110.9S10 I11 V12 V16 R17 D18 Y262S10-L14 WeakPolarHBondContact O-CG 3.3Å; S10-L14 PolarHBondContact O-N 3.48Å; S10-L14 VanDerWaalsContact O-N 3.08Å; I11-L14 PolarHBondContact O-N 3.24Å; V12-L14 VanDerWaalsContact C-N 3.34Å; V12-L14 PolarHBondContact O-N 3.01Å; L14-V16 PolarHBondContact O-N 2.93Å; L14-R17 PolarHBondContact O-N 3.31Å; L14-D18 WeakPolarHBondContact O-CB 3.49Å; L14-D18 PolarHBondContact O-N 2.95Å; L14-Y262 HydrophobicContact CD1-CD1 3.95Å
15V89Confident88Confident4 Ų455.2 Ų55.22%0.02427%0.266CS..Hα-helixtrans-66.5-41.5-173.5175.10000112.5I11 V12 D18 L19 I51 R54 L55 Y262I11-V15 HydrophobicContact CG2-CG2 4.18Å; I11-V15 WeakPolarHBondContact O-CB 3.34Å; I11-V15 WeakPolarHBondContact O-CG2 3.45Å; I11-V15 PolarHBondContact O-N 3.07Å; V12-V15 PolarHBondContact O-N 3.48Å; V15-D18 PolarHBondContact O-N 3.42Å; V15-L19 VanDerWaalsContact O-CB 3.32Å; V15-L19 WeakPolarHBondContact O-CB 3.19Å; V15-L19 PolarHBondContact O-N 2.86Å; V15-I51 HydrophobicContact CG1-CG2 4Å; V15-R54 HydrophobicContact CG1-CB 4.05Å; V15-R54 HydrophobicContact CG2-CB 3.95Å; V15-L55 HydrophobicContact CG1-CB 3.74Å; V15-L55 HydrophobicContact CG1-CD1 4.37Å; V15-Y262 HydrophobicContact CG2-CE1 3.9Å
16V91.1Very high87.4Confident3 Ų360.9 Ų60.92%0.01829%0.293CS..Hα-helixtrans-65.9-43.4176.51720000110.9V12 L14 D18 I20 L55 T233 L234V12-V16 HydrophobicContact CG1-CG2 3.89Å; V12-V16 VanDerWaalsContact O-CB 3.31Å; V12-V16 WeakPolarHBondContact O-CB 3.33Å; V12-V16 VanDerWaalsContact O-CG2 3.3Å; V12-V16 WeakPolarHBondContact O-CG2 3.41Å; V12-V16 PolarHBondContact O-N 2.84Å; L14-V16 PolarHBondContact O-N 2.93Å; V16-D18 PolarHBondContact O-N 3Å; V16-I20 HydrophobicContact CG1-CD1 3.72Å; V16-I20 WeakPolarHBondContact O-CB 3.47Å; V16-I20 VanDerWaalsContact O-CG1 3.28Å; V16-I20 WeakPolarHBondContact O-CG1 3.32Å; V16-I20 PolarHBondContact O-N 3Å; V16-L55 HydrophobicContact CG2-CD1 4.03Å; V16-T233 WeakPolarHBondContact CG1-OG1 3.46Å; V16-L234 HydrophobicContact CG1-CD2 4.18Å; V16-L234 HydrophobicContact CG2-CD2 4.4Å
17R89.7Confident86.9Confident135 Ų13563.4 Ų63.451%0.50930%0.298SS..Hα-helixtrans-58.8-47.9174.2177.6-158.670.6-163.7-5111.4K13 L14 R21K13-R17 WeakPolarHBondContact O-CB 3.31Å; K13-R17 PolarHBondContact O-N 2.67Å; L14-R17 PolarHBondContact O-N 3.31Å; R17-R21 VanDerWaalsContact O-CB 3.28Å; R17-R21 WeakPolarHBondContact O-CB 3.23Å; R17-R21 PolarHBondContact O-N 2.87Å
18D87.9Confident86.6Confident36 Ų3666 Ų6619%0.19331%0.308CS..Hα-helixtrans-72-34.6-174.3-65.6-22.6000111.4L14 V15 V16 R21 L22 I51L14-D18 WeakPolarHBondContact O-CB 3.49Å; L14-D18 PolarHBondContact O-N 2.95Å; V15-D18 PolarHBondContact O-N 3.42Å; V16-D18 PolarHBondContact O-N 3Å; D18-R21 PolarHBondContact O-N 3.18Å; D18-L22 WeakPolarHBondContact O-CG 3.28Å; D18-L22 PolarHBondContact O-N 3.26Å; D18-L22 VanDerWaalsContact O-N 3.1Å; D18-I51 HydrophobicContact CB-CD1 3.82Å; D18-I51 HydrophobicContact CB-CG2 4.49Å
19L88.3Confident86.3Confident0 Ų066 Ų660%031%0.309CS..Hα-helixtrans-63.7-54.4171.9-17460.8000111.2V15 R21 L22 T23 V48 I51 V52 L55 L234 I237 F239V15-L19 VanDerWaalsContact O-CB 3.32Å; V15-L19 WeakPolarHBondContact O-CB 3.19Å; V15-L19 PolarHBondContact O-N 2.86Å; L19-R21 PolarHBondContact O-N 3.36Å; L19-L22 PolarHBondContact O-N 3.44Å; L19-T23 HydrophobicContact CD1-CG2 3.79Å; L19-T23 HydrophobicContact CG-CG2 4.26Å; L19-T23 WeakPolarHBondContact O-CG2 3.39Å; L19-T23 PolarHBondContact O-N 2.74Å; L19-T23 PolarHBondContact O-OG1 3.37Å; L19-T23 VanDerWaalsContact O-OG1 3.07Å; L19-V48 HydrophobicContact CD1-CG1 4.08Å; L19-I51 HydrophobicContact CB-CG2 3.81Å; L19-I51 HydrophobicContact CD1-CB 4.44Å; L19-I51 HydrophobicContact CD1-CG2 4.29Å; L19-V52 HydrophobicContact CD1-CG2 3.58Å; L19-V52 HydrophobicContact CD2-CG2 4.03Å; L19-V52 HydrophobicContact CG-CG2 4.49Å; L19-L55 HydrophobicContact CD2-CD2 3.64Å; L19-L234 HydrophobicContact CD2-CD2 4.07Å; L19-I237 HydrophobicContact CD2-CD1 4.11Å; L19-I237 HydrophobicContact CG-CD1 4.01Å; L19-F239 HydrophobicContact CD2-CE1 4.12Å; L19-F239 HydrophobicContact CD2-CZ 3.95Å
20I88.6Confident85.9Confident51 Ų5172 Ų7226%0.26233%0.334SS..Hα-helixtrans-56.5-37178.8-69.9168.9000111.2V16 F24 T233 I237V16-I20 HydrophobicContact CG1-CD1 3.72Å; V16-I20 WeakPolarHBondContact O-CB 3.47Å; V16-I20 VanDerWaalsContact O-CG1 3.28Å; V16-I20 WeakPolarHBondContact O-CG1 3.32Å; V16-I20 PolarHBondContact O-N 3Å; I20-F24 WeakPolarHBondContact O-CA 3.15Å; I20-F24 WeakPolarHBondContact O-CB 3.2Å; I20-F24 PolarHBondContact O-N 3.33Å; I20-F24 VanDerWaalsContact O-N 3.09Å; I20-T233 WeakPolarHBondContact CD1-OG1 3.3Å; I20-I237 HydrophobicContact CG1-CD1 4.33Å
21R87.9Confident85.4Confident194 Ų19469.6 Ų69.673%0.73232%0.317SS*.Hα-helixtrans-66.4-38.8177.1-177.2-180176-145.5-5.8112.9R17 D18 L19R17-R21 VanDerWaalsContact O-CB 3.28Å; R17-R21 WeakPolarHBondContact O-CB 3.23Å; R17-R21 PolarHBondContact O-N 2.87Å; D18-R21 PolarHBondContact O-N 3.18Å; L19-R21 PolarHBondContact O-N 3.36Å
22L84.5Confident84.6Confident72 Ų7271.7 Ų71.738%0.37733%0.328SS..Hα-helixtrans-79.1-33.4177.9-67.2178.7000112.8D18 L19 F24 E46 V48 I51D18-L22 WeakPolarHBondContact O-CG 3.28Å; D18-L22 PolarHBondContact O-N 3.26Å; D18-L22 VanDerWaalsContact O-N 3.1Å; L19-L22 PolarHBondContact O-N 3.44Å; L22-F24 VanDerWaalsContact C-N 3.33Å; L22-E46 WeakPolarHBondContact CD1-O 3.28Å; L22-V48 HydrophobicContact CB-CG2 3.97Å; L22-V48 HydrophobicContact CD1-CG2 4.26Å; L22-I51 HydrophobicContact CD1-CD1 3.49Å; L22-I51 VanDerWaalsContact CD1-CD1 3.49Å; L22-I51 HydrophobicContact CD1-CG1 4.02Å; L22-I51 HydrophobicContact CG-CD1 4.5Å
23T83.9Confident83.6Confident4 Ų471.6 Ų71.63%0.02533%0.328CS..SBendtrans-90.45.1-178.765.30000113.1L19 D25 Q26 Q27 V29 V48 I237L19-T23 HydrophobicContact CD1-CG2 3.79Å; L19-T23 HydrophobicContact CG-CG2 4.26Å; L19-T23 WeakPolarHBondContact O-CG2 3.39Å; L19-T23 PolarHBondContact O-N 2.74Å; L19-T23 PolarHBondContact O-OG1 3.37Å; L19-T23 VanDerWaalsContact O-OG1 3.07Å; T23-D25 PolarHBondContact O-N 3.18Å; T23-Q26 PolarHBondContact O-N 2.79Å; T23-Q27 WeakPolarHBondContact O-CA 3.42Å; T23-Q27 PolarHBondContact O-N 2.69Å; T23-V29 HydrophobicContact CG2-CG2 3.4Å; T23-V48 HydrophobicContact CG2-CG1 3.97Å; T23-I237 HydrophobicContact CG2-CD1 4.43Å; T23-I237 VanDerWaalsContact OG1-CD1 3.3Å; T23-I237 WeakPolarHBondContact OG1-CD1 3.43Å
24F83.5Confident82.3Confident140 Ų14069.9 Ų69.961%0.61432%0.324SS*.THydrogen-bonded Turntrans-57.3-46.9-172.4-173.1-99.1000112.9I20 L22I20-F24 WeakPolarHBondContact O-CA 3.15Å; I20-F24 WeakPolarHBondContact O-CB 3.2Å; I20-F24 PolarHBondContact O-N 3.33Å; I20-F24 VanDerWaalsContact O-N 3.09Å; L22-F24 VanDerWaalsContact C-N 3.33Å
25D78.8Confident80.8Confident146 Ų14672.8 Ų72.878%0.78134%0.338SS*.THydrogen-bonded Turntrans-81.2-33.4-177.2-59.1-40.9000113.1T23T23-D25 PolarHBondContact O-N 3.18Å
26Q75.4Confident79.4Confident142 Ų14273.9 Ų73.966%0.66434%0.343SS*.THydrogen-bonded Turntrans-91.6-31.5-173.8-68-174.3-9.800113.4T23 Q28T23-Q26 PolarHBondContact O-N 2.79Å; Q26-Q28 PolarHBondContact O-N 3.28Å
27Q79.1Confident78Confident113 Ų11375.8 Ų75.853%0.52835%0.349SS..  trans51.73.8-175-59.6-172.10.300116.6T23 I237 D238T23-Q27 WeakPolarHBondContact O-CA 3.42Å; T23-Q27 PolarHBondContact O-N 2.69Å; Q27-I237 CarbonylContact O-C 3.57Å; Q27-I237 WeakPolarHBondContact O-CA 3.33Å; Q27-D238 PolarHBondContact O-N 2.81Å
28Q81.3Confident76.1Confident121 Ų12172.4 Ų72.457%0.56536%0.357SS*.EExtended strand (participates in β ladder)trans-126.9144.6179.2-49.4-157.2-4600110.6Q26 D238Q26-Q28 PolarHBondContact O-N 3.28Å; Q28-D238 CarbonylContact C-O 3.56Å; Q28-D238 WeakPolarHBondContact CA-O 3.5Å; Q28-D238 HydrophobicContact CB-CB 4.21Å; Q28-D238 HydrophobicContact CG-CB 3.93Å; Q28-D238 PolarHBondContact NE2-OD2 3.42Å
29V81.7Confident74.1Confident7 Ų776 Ų764%0.04237%0.372CS..EExtended strand (participates in β ladder)trans-133.7110.8177.9-177.60000110.2T23 L31 V48 V52 I237 D238 F239 C240T23-V29 HydrophobicContact CG2-CG2 3.4Å; V29-L31 HydrophobicContact CG1-CD1 3.96Å; V29-L31 HydrophobicContact CG1-CD2 4.45Å; V29-L31 HydrophobicContact CG1-CG 3.96Å; V29-V48 HydrophobicContact CB-CG1 4.35Å; V29-V48 HydrophobicContact CG1-CG1 3.67Å; V29-V48 HydrophobicContact CG2-CG1 3.73Å; V29-V52 HydrophobicContact CG1-CG2 3.99Å; V29-I237 HydrophobicContact CB-CG2 4.38Å; V29-I237 HydrophobicContact CG2-CG2 3.65Å; V29-D238 PolarHBondContact N-O 3.28Å; V29-F239 HydrophobicContact CB-CD1 4.18Å; V29-F239 HydrophobicContact CB-CE1 4.48Å; V29-C240 PolarHBondContact O-N 3.5Å
30F82.5Confident71.9Confident142 Ų14282.2 Ų82.262%0.62342%0.416SS*.EExtended strand (participates in β ladder)trans-102.2126.5179.2-170.2-92.2000110.6C240 I242F30-C240 WeakPolarHBondContact CA-O 3.35Å; F30-C240 HydrophobicContact CD2-CB 3.93Å; F30-I242 HydrophobicContact CE1-CD1 3.81Å; F30-I242 HydrophobicContact CE1-CG1 4.29Å; F30-I242 HydrophobicContact CE2-CG1 4.47Å; F30-I242 HydrophobicContact CZ-CD1 3.59Å; F30-I242 HydrophobicContact CZ-CG1 3.9Å
31L78Confident70Confident6 Ų685.3 Ų85.33%0.03143%0.425CS..EExtended strand (participates in β ladder)trans-137.2119.6-176.2-65.9171.2000111.2V29 S49 V52 C240 F241 I242V29-L31 HydrophobicContact CG1-CD1 3.96Å; V29-L31 HydrophobicContact CG1-CD2 4.45Å; V29-L31 HydrophobicContact CG1-CG 3.96Å; L31-S49 VanDerWaalsContact CD2-OG 3.32Å; L31-S49 WeakPolarHBondContact CD2-OG 3.33Å; L31-V52 HydrophobicContact CD1-CB 3.78Å; L31-V52 HydrophobicContact CD1-CG1 3.55Å; L31-V52 HydrophobicContact CD1-CG2 4.21Å; L31-C240 PolarHBondContact N-O 3.43Å; L31-F241 HydrophobicContact CB-CD1 4.03Å; L31-F241 HydrophobicContact CB-CE1 4.41Å; L31-F241 HydrophobicContact CD1-CD1 4.05Å; L31-F241 HydrophobicContact CD1-CE1 3.57Å; L31-F241 HydrophobicContact CD1-CZ 4.36Å; L31-F241 CarbonylContact O-C 3.52Å; L31-F241 WeakPolarHBondContact O-CA 3.5Å; L31-I242 PolarHBondContact O-N 3.26Å
32D73.1Confident68Low48 Ų4881 Ų8126%0.25742%0.42SS..EExtended strand (participates in β ladder)trans-87.6106.9165.7-169.3-25.4000109.1N34 I35 F36 I242D32-N34 PolarHBondContact O-N 2.95Å; D32-N34 WeakPolarHBondContact OD1-CB 3.24Å; D32-N34 PolarHBondContact OD1-N 3.25Å; D32-I35 HydrophobicContact CB-CB 4.38Å; D32-I35 HydrophobicContact CB-CD1 3.95Å; D32-I35 HydrophobicContact CB-CG1 4.03Å; D32-I35 PolarHBondContact O-N 3.3Å; D32-F36 WeakPolarHBondContact O-CB 3.25Å; D32-F36 PolarHBondContact O-N 3.4Å; D32-I242 HydrophobicContact CB-CD1 3.87Å; D32-I242 HydrophobicContact CB-CG1 4.42Å
33E71.3Confident66.3Low0 Ų080.8 Ų80.80%042%0.422CS..Hα-helixtrans-63.3-27.2-179-71.2-82.8152.200112.1I35 F36 W37 R159 F241 L243 Y249 M250E33-I35 VanDerWaalsContact C-N 3.31Å; E33-I35 PolarHBondContact O-N 2.92Å; E33-F36 WeakPolarHBondContact O-CB 3.12Å; E33-F36 PolarHBondContact O-N 3.27Å; E33-W37 PolarHBondContact O-N 3.07Å; E33-W37 PolarHBondContact OE2-NE1 2.91Å; E33-R159 VanDerWaalsContact CD-NH2 3.33Å; E33-R159 IonicContact OE1-CZ 3.04Å; E33-R159 IonicContact OE1-NE 2.63Å; E33-R159 PolarHBondContact OE1-NE 3.37Å; E33-R159 IonicContact OE1-NH2 2.63Å; E33-R159 PolarHBondContact OE1-NH2 2.73Å; E33-R159 VanDerWaalsContact OE1-NH2 3.11Å; E33-R159 IonicContact OE2-CZ 3.35Å; E33-R159 IonicContact OE2-NE 2.69Å; E33-R159 PolarHBondContact OE2-NE 3.32Å; E33-R159 IonicContact OE2-NH2 2.74Å; E33-R159 PolarHBondContact OE2-NH2 2.96Å; E33-F241 HydrophobicContact CG-CD1 4.44Å; E33-F241 WeakPolarHBondContact OE1-CD1 3.36Å; E33-L243 HydrophobicContact CG-CD2 4.06Å; E33-Y249 HydrophobicContact CB-CE2 3.96Å; E33-Y249 VanDerWaalsContact CB-OH 3.3Å; E33-Y249 WeakPolarHBondContact CB-OH 3.4Å; E33-M250 HydrophobicContact CG-CE 4.35Å; E33-M250 VanDerWaalsContact OE2-CE 3.26Å; E33-M250 WeakPolarHBondContact OE2-CE 3.49Å
34N62.5Low64.6Low66 Ų6685.7 Ų85.735%0.35344%0.444SS..Hα-helixtrans-68.5-33.1179.4-65.6-17.1000112D32 K244 Y249D32-N34 PolarHBondContact O-N 2.95Å; D32-N34 WeakPolarHBondContact OD1-CB 3.24Å; D32-N34 PolarHBondContact OD1-N 3.25Å; N34-K244 PolarHBondContact ND2-O 2.94Å; N34-K244 PolarHBondContact OD1-O 2.92Å; N34-Y249 WeakPolarHBondContact OD1-CE1 3.25Å; N34-Y249 PolarHBondContact OD1-OH 3.41Å
35I57.8Low63.3Low98 Ų9879.9 Ų79.950%0.50342%0.423SS..Hα-helixtrans-74.5-42.9171.1-56179.4000109.7D32 E33 W37 G38D32-I35 HydrophobicContact CB-CB 4.38Å; D32-I35 HydrophobicContact CB-CD1 3.95Å; D32-I35 HydrophobicContact CB-CG1 4.03Å; D32-I35 PolarHBondContact O-N 3.3Å; E33-I35 VanDerWaalsContact C-N 3.31Å; E33-I35 PolarHBondContact O-N 2.92Å; I35-W37 VanDerWaalsContact C-N 3.3Å; I35-W37 PolarHBondContact O-N 3.31Å; I35-G38 PolarHBondContact O-N 3.12Å; I35-G38 VanDerWaalsContact O-N 3.08Å
36F59.7Low62.5Low27 Ų2780.6 Ų80.612%0.11842%0.422CS..Hα-helixtrans-57-35.8-173.5-160.9-142000114.5D32 E33 S49 W53D32-F36 WeakPolarHBondContact O-CB 3.25Å; D32-F36 PolarHBondContact O-N 3.4Å; E33-F36 WeakPolarHBondContact O-CB 3.12Å; E33-F36 PolarHBondContact O-N 3.27Å; F36-S49 VanDerWaalsContact CE2-O 3.23Å; F36-S49 WeakPolarHBondContact CE2-O 3.37Å; F36-S49 WeakPolarHBondContact CZ-O 3.25Å; F36-W53 HydrophobicContact CE1-CB 4.2Å; F36-W53 AromaticContact CE1-CD1 3.9Å; F36-W53 HydrophobicContact CE1-CG 4.49Å; F36-W53 HydrophobicContact CE2-CB 4.05Å; F36-W53 HydrophobicContact CZ-CB 3.49Å; F36-W53 VanDerWaalsContact CZ-CB 3.49Å; F36-W53 AromaticContact CZ-CD1 3.99Å; F36-W53 HydrophobicContact CZ-CG 4.16Å
37W62.7Low62.6Low43 Ų4377.9 Ų77.916%0.16341%0.412CS..THydrogen-bonded Turntrans-96-3.1179.5-66.5102.9000114.7E33 I35 W53 Y249 K252 H255E33-W37 PolarHBondContact O-N 3.07Å; E33-W37 PolarHBondContact OE2-NE1 2.91Å; I35-W37 VanDerWaalsContact C-N 3.3Å; I35-W37 PolarHBondContact O-N 3.31Å; W37-W53 AromaticContact CH2-NE1 3.78Å; W37-W53 AromaticContact CZ3-NE1 3.93Å; W37-Y249 HydrophobicContact CB-CD2 4.41Å; W37-Y249 HydrophobicContact CB-CG 4.29Å; W37-Y249 AromaticContact CD1-CD2 3.11Å; W37-Y249 AromaticContact CD1-CE2 3.25Å; W37-Y249 AromaticContact CD1-CG 3.82Å; W37-Y249 HydrophobicContact CD2-CD2 4.26Å; W37-Y249 AromaticContact CG-CD2 3.71Å; W37-Y249 HydrophobicContact CG-CD2 3.71Å; W37-Y249 HydrophobicContact CG-CE2 4.22Å; W37-Y249 HydrophobicContact CG-CG 4.03Å; W37-Y249 AromaticContact NE1-CD2 3.37Å; W37-Y249 AromaticContact NE1-CE2 3.54Å; W37-K252 HydrophobicContact CE3-CD 4.04Å; W37-K252 HydrophobicContact CZ3-CD 4.03Å; W37-H255 AromaticContact CH2-CD2 3.99Å; W37-H255 AromaticContact CH2-NE2 3.26Å; W37-H255 VanDerWaalsContact CH2-NE2 3.26Å; W37-H255 WeakPolarHBondContact CH2-NE2 3.27Å; W37-H255 AromaticContact CZ3-CE1 3.71Å; W37-H255 AromaticContact CZ3-NE2 3.3Å; W37-H255 VanDerWaalsContact CZ3-NE2 3.3Å; W37-H255 WeakPolarHBondContact CZ3-NE2 3.46Å
38G50.5Low62.7Low65 Ų6574.2 Ų74.267%0.6740%0.397SS*.THydrogen-bonded Turntrans-90.4-26.2-174.700000115.1I35I35-G38 PolarHBondContact O-N 3.12Å; I35-G38 VanDerWaalsContact O-N 3.08Å
39E45.5Very low62.7Low110 Ų11070 Ų7051%0.51438%0.381SS..SBendtrans-104.5137.4-177.4-67.9-174.7142.300112.7R41E39-R41 HydrophobicContact CB-CG 3.91Å; E39-R41 PolarHBondContact O-N 3.4Å; E39-R41 IonicContact OE2-CZ 3.57Å; E39-R41 IonicContact OE2-NE 3.25Å; E39-R41 PolarHBondContact OE2-NE 2.77Å; E39-R41 IonicContact OE2-NH2 2.64Å; E39-R41 PolarHBondContact OE2-NH2 2.97Å
40S41.4Very low62.7Low132 Ų13270.4 Ų70.492%0.92338%0.383SS*.  trans-77.168.2173.8-163.90000110.9
41R48.4Very low62.8Low115 Ų11564 Ų6443%0.43436%0.356SS..  trans-71.4141.6-175.7-69.8-171.8171.5-142.7-2.8111.9E39 V43 D47E39-R41 HydrophobicContact CB-CG 3.91Å; E39-R41 PolarHBondContact O-N 3.4Å; E39-R41 IonicContact OE2-CZ 3.57Å; E39-R41 IonicContact OE2-NE 3.25Å; E39-R41 PolarHBondContact OE2-NE 2.77Å; E39-R41 IonicContact OE2-NH2 2.64Å; E39-R41 PolarHBondContact OE2-NH2 2.97Å; R41-V43 PolarHBondContact O-N 2.77Å; R41-D47 IonicContact NH1-OD2 2.61Å
42T46.2Very low63.3Low105 Ų10563.8 Ų63.864%0.64435%0.354SS*.  trans-69.4132.1179.251.30000110.5H44 G45T42-H44 PolarHBondContact O-N 3.46Å; T42-G45 PolarHBondContact O-N 3.49Å; T42-G45 VanDerWaalsContact O-N 3.13Å
43V48.4Very low64Low66 Ų6664.8 Ų64.840%0.435%0.354SS..THydrogen-bonded Turntrans-56.8-19.2-175.4-167.90000113R41 R54 P258 V261R41-V43 PolarHBondContact O-N 2.77Å; V43-R54 PolarHBondContact O-NH2 3.31Å; V43-P258 HydrophobicContact CG1-CB 4.37Å; V43-P258 HydrophobicContact CG1-CG 3.63Å; V43-V261 HydrophobicContact CG1-CG2 3.85Å
44H48.7Very low64.7Low108 Ų10866.2 Ų66.250%0.536%0.36SS..THydrogen-bonded Turntrans-87.2-14.3-176.1-56.8-76.4000115.3T42 E46T42-H44 PolarHBondContact O-N 3.46Å; H44-E46 PolarHBondContact O-N 2.83Å
45G55.8Low66.1Low17 Ų1763.2 Ų63.218%0.17534%0.344CS..  trans-55.8134.6-174.600000113.2T42 D47 N50 R54T42-G45 PolarHBondContact O-N 3.49Å; T42-G45 VanDerWaalsContact O-N 3.13Å; G45-D47 VanDerWaalsContact C-N 3.33Å; G45-N50 WeakPolarHBondContact O-CB 3.42Å; G45-N50 PolarHBondContact O-ND2 3.05Å; G45-R54 PolarHBondContact O-NH2 3.04Å; G45-R54 VanDerWaalsContact O-NH2 3.12Å
46E62.5Low67.7Low162 Ų16258.8 Ų58.876%0.75732%0.321SS*.  trans-85.7-1.5-179-62.7-165.5142.200113.4L22 H44L22-E46 WeakPolarHBondContact CD1-O 3.28Å; H44-E46 PolarHBondContact O-N 2.83Å
47D76.5Confident69.1Low84 Ų8457.8 Ų57.845%0.44932%0.317SS..SBendtrans-55.1142.9178.6-39.9-45.4000112.5R41 G45 S49 N50 I51R41-D47 IonicContact NH1-OD2 2.61Å; G45-D47 VanDerWaalsContact C-N 3.33Å; D47-S49 PolarHBondContact O-N 3.05Å; D47-S49 VanDerWaalsContact O-N 3.1Å; D47-N50 WeakPolarHBondContact CB-ND2 3.46Å; D47-N50 WeakPolarHBondContact O-CB 3.42Å; D47-N50 PolarHBondContact O-N 3.41Å; D47-N50 PolarHBondContact OD2-ND2 3.23Å; D47-I51 PolarHBondContact O-N 2.76Å
48V82.6Confident70.5Confident36 Ų3655.8 Ų55.822%0.21831%0.31CS..Hα-helixtrans-47.7-43.1177178.70000111.8L19 L22 T23 V29 N50 I51 V52L19-V48 HydrophobicContact CD1-CG1 4.08Å; L22-V48 HydrophobicContact CB-CG2 3.97Å; L22-V48 HydrophobicContact CD1-CG2 4.26Å; T23-V48 HydrophobicContact CG2-CG1 3.97Å; V29-V48 HydrophobicContact CB-CG1 4.35Å; V29-V48 HydrophobicContact CG1-CG1 3.67Å; V29-V48 HydrophobicContact CG2-CG1 3.73Å; V48-N50 PolarHBondContact O-N 3Å; V48-I51 PolarHBondContact O-N 3.42Å; V48-I51 VanDerWaalsContact O-N 3.15Å; V48-V52 PolarHBondContact O-N 3.15Å
49S81.5Confident72.5Confident32 Ų3252.8 Ų52.822%0.22428%0.279CS..Hα-helixtrans-56.7-45.8177.2-42.20000112.6L31 F36 D47 I51 V52 W53L31-S49 VanDerWaalsContact CD2-OG 3.32Å; L31-S49 WeakPolarHBondContact CD2-OG 3.33Å; F36-S49 VanDerWaalsContact CE2-O 3.23Å; F36-S49 WeakPolarHBondContact CE2-O 3.37Å; F36-S49 WeakPolarHBondContact CZ-O 3.25Å; D47-S49 PolarHBondContact O-N 3.05Å; D47-S49 VanDerWaalsContact O-N 3.1Å; S49-I51 VanDerWaalsContact C-N 3.29Å; S49-I51 PolarHBondContact O-N 2.71Å; S49-V52 PolarHBondContact O-N 3.36Å; S49-W53 PolarHBondContact O-N 3.24Å
50N80.5Confident74.8Confident17 Ų1747.9 Ų47.99%0.09126%0.256CS..Hα-helixtrans-67.3-33.7179.9-53.4-39.4000110.8G45 D47 V48 W53 R54G45-N50 WeakPolarHBondContact O-CB 3.42Å; G45-N50 PolarHBondContact O-ND2 3.05Å; D47-N50 WeakPolarHBondContact CB-ND2 3.46Å; D47-N50 WeakPolarHBondContact O-CB 3.42Å; D47-N50 PolarHBondContact O-N 3.41Å; D47-N50 PolarHBondContact OD2-ND2 3.23Å; V48-N50 PolarHBondContact O-N 3Å; N50-W53 WeakPolarHBondContact O-CB 3.4Å; N50-W53 PolarHBondContact O-N 3.33Å; N50-R54 WeakPolarHBondContact O-CG 3.47Å; N50-R54 PolarHBondContact O-N 3.45Å
51I86Confident77.2Confident8 Ų843.2 Ų43.24%0.04122%0.219CC..Hα-helixtrans-72.2-37.1176-52.2-149.4000111.3V15 D18 L19 L22 D47 V48 S49 W53 R54 L55V15-I51 HydrophobicContact CG1-CG2 4Å; D18-I51 HydrophobicContact CB-CD1 3.82Å; D18-I51 HydrophobicContact CB-CG2 4.49Å; L19-I51 HydrophobicContact CB-CG2 3.81Å; L19-I51 HydrophobicContact CD1-CB 4.44Å; L19-I51 HydrophobicContact CD1-CG2 4.29Å; L22-I51 HydrophobicContact CD1-CD1 3.49Å; L22-I51 VanDerWaalsContact CD1-CD1 3.49Å; L22-I51 HydrophobicContact CD1-CG1 4.02Å; L22-I51 HydrophobicContact CG-CD1 4.5Å; D47-I51 PolarHBondContact O-N 2.76Å; V48-I51 PolarHBondContact O-N 3.42Å; V48-I51 VanDerWaalsContact O-N 3.15Å; S49-I51 VanDerWaalsContact C-N 3.29Å; S49-I51 PolarHBondContact O-N 2.71Å; I51-W53 VanDerWaalsContact C-N 3.34Å; I51-R54 PolarHBondContact O-N 3.1Å; I51-L55 PolarHBondContact O-N 2.74Å
52V88.6Confident79.3Confident0 Ų037.8 Ų37.80%020%0.199CC..Hα-helixtrans-67.3-33.7171.1178.50000112.1L19 V29 L31 V48 S49 L55 L56 F239 F241L19-V52 HydrophobicContact CD1-CG2 3.58Å; L19-V52 HydrophobicContact CD2-CG2 4.03Å; L19-V52 HydrophobicContact CG-CG2 4.49Å; V29-V52 HydrophobicContact CG1-CG2 3.99Å; L31-V52 HydrophobicContact CD1-CB 3.78Å; L31-V52 HydrophobicContact CD1-CG1 3.55Å; L31-V52 HydrophobicContact CD1-CG2 4.21Å; V48-V52 PolarHBondContact O-N 3.15Å; S49-V52 PolarHBondContact O-N 3.36Å; V52-L55 WeakPolarHBondContact O-CB 3.47Å; V52-L55 PolarHBondContact O-N 2.68Å; V52-L56 HydrophobicContact CG1-CD1 3.91Å; V52-L56 HydrophobicContact CG1-CG 4.3Å; V52-L56 WeakPolarHBondContact O-CG 3.32Å; V52-L56 PolarHBondContact O-N 3.48Å; V52-F239 HydrophobicContact CG1-CE1 4.45Å; V52-F239 HydrophobicContact CG2-CE1 4.01Å; V52-F241 HydrophobicContact CG1-CE1 3.92Å; V52-F241 HydrophobicContact CG1-CZ 3.9Å
53W86.2Confident81.5Confident70 Ų7032.8 Ų32.827%0.26517%0.168SC..Hα-helixtrans-60.1-48.6170.7-172.781.7000111.3F36 W37 S49 N50 I51 L55 L56 S57 H255F36-W53 HydrophobicContact CE1-CB 4.2Å; F36-W53 AromaticContact CE1-CD1 3.9Å; F36-W53 HydrophobicContact CE1-CG 4.49Å; F36-W53 HydrophobicContact CE2-CB 4.05Å; F36-W53 HydrophobicContact CZ-CB 3.49Å; F36-W53 VanDerWaalsContact CZ-CB 3.49Å; F36-W53 AromaticContact CZ-CD1 3.99Å; F36-W53 HydrophobicContact CZ-CG 4.16Å; W37-W53 AromaticContact CH2-NE1 3.78Å; W37-W53 AromaticContact CZ3-NE1 3.93Å; S49-W53 PolarHBondContact O-N 3.24Å; N50-W53 WeakPolarHBondContact O-CB 3.4Å; N50-W53 PolarHBondContact O-N 3.33Å; I51-W53 VanDerWaalsContact C-N 3.34Å; W53-L55 VanDerWaalsContact C-N 3.28Å; W53-L55 PolarHBondContact O-N 2.86Å; W53-L56 PolarHBondContact O-N 3.25Å; W53-S57 VanDerWaalsContact O-CB 3.25Å; W53-S57 WeakPolarHBondContact O-CB 3.34Å; W53-S57 PolarHBondContact O-N 2.89Å; W53-H255 HydrophobicContact CH2-CB 4.17Å; W53-H255 HydrophobicContact CZ2-CB 4Å; W53-H255 AromaticContact CZ2-CG 3.73Å
54R87.3Confident83.6Confident29 Ų2930.4 Ų30.411%0.10915%0.154CC..Hα-helixtrans-58.4-40.9174.3-67.6173.3-166.3152.37.8110.9V15 V43 G45 N50 I51 V58V15-R54 HydrophobicContact CG1-CB 4.05Å; V15-R54 HydrophobicContact CG2-CB 3.95Å; V43-R54 PolarHBondContact O-NH2 3.31Å; G45-R54 PolarHBondContact O-NH2 3.04Å; G45-R54 VanDerWaalsContact O-NH2 3.12Å; N50-R54 WeakPolarHBondContact O-CG 3.47Å; N50-R54 PolarHBondContact O-N 3.45Å; I51-R54 PolarHBondContact O-N 3.1Å; R54-V58 VanDerWaalsContact O-CB 3.31Å; R54-V58 WeakPolarHBondContact O-CB 3.46Å; R54-V58 WeakPolarHBondContact O-CG2 3.3Å; R54-V58 PolarHBondContact O-N 3.31Å
55L91.3Very high85.7Confident3 Ų326.4 Ų26.42%0.01614%0.136CC..Hα-helixtrans-62.1-55.8179176.164.6000111.3V15 V16 L19 I51 V52 W53 S57 V58 V59 L231 L234 F239V15-L55 HydrophobicContact CG1-CB 3.74Å; V15-L55 HydrophobicContact CG1-CD1 4.37Å; V16-L55 HydrophobicContact CG2-CD1 4.03Å; L19-L55 HydrophobicContact CD2-CD2 3.64Å; I51-L55 PolarHBondContact O-N 2.74Å; V52-L55 WeakPolarHBondContact O-CB 3.47Å; V52-L55 PolarHBondContact O-N 2.68Å; W53-L55 VanDerWaalsContact C-N 3.28Å; W53-L55 PolarHBondContact O-N 2.86Å; L55-S57 PolarHBondContact O-N 3.46Å; L55-V58 PolarHBondContact O-N 3.5Å; L55-V59 HydrophobicContact CD1-CG2 4.05Å; L55-V59 HydrophobicContact CG-CG2 4.48Å; L55-V59 WeakPolarHBondContact O-CB 3.36Å; L55-V59 VanDerWaalsContact O-CG2 3.3Å; L55-V59 WeakPolarHBondContact O-CG2 3.3Å; L55-V59 PolarHBondContact O-N 3.18Å; L55-L231 HydrophobicContact CD1-CD2 4.25Å; L55-L234 HydrophobicContact CD1-CD1 4.1Å; L55-L234 HydrophobicContact CD2-CD1 3.76Å; L55-L234 HydrophobicContact CD2-CD2 4.17Å; L55-F239 HydrophobicContact CD2-CZ 4.5Å
56L91.7Very high87.2Confident5 Ų526.5 Ų26.53%0.02614%0.137CC..Hα-helixtrans-57.4-48.9-179.7-73.9164.1000111V52 W53 V58 V59 E60 L158 R159 L162 F241V52-L56 HydrophobicContact CG1-CD1 3.91Å; V52-L56 HydrophobicContact CG1-CG 4.3Å; V52-L56 WeakPolarHBondContact O-CG 3.32Å; V52-L56 PolarHBondContact O-N 3.48Å; W53-L56 PolarHBondContact O-N 3.25Å; L56-V58 VanDerWaalsContact C-N 3.35Å; L56-V58 PolarHBondContact O-N 3.07Å; L56-V59 PolarHBondContact O-N 3.35Å; L56-E60 WeakPolarHBondContact O-CG 3.23Å; L56-E60 PolarHBondContact O-N 2.93Å; L56-L158 HydrophobicContact CD2-CB 4.21Å; L56-R159 HydrophobicContact CD1-CG 4.33Å; L56-R159 HydrophobicContact CD2-CG 4.12Å; L56-L162 HydrophobicContact CD2-CD1 3.79Å; L56-L162 HydrophobicContact CG-CD1 4.5Å; L56-F241 HydrophobicContact CD1-CE1 3.86Å; L56-F241 HydrophobicContact CD1-CZ 4.12Å
57S89Confident88.5Confident6 Ų620 Ų204%0.04211%0.107CC..Hα-helixtrans-57.3-44.4177-1790000112.4W53 L55 E60 H61W53-S57 VanDerWaalsContact O-CB 3.25Å; W53-S57 WeakPolarHBondContact O-CB 3.34Å; W53-S57 PolarHBondContact O-N 2.89Å; L55-S57 PolarHBondContact O-N 3.46Å; S57-E60 WeakPolarHBondContact O-CB 3.4Å; S57-E60 PolarHBondContact O-N 3.06Å; S57-H61 PolarHBondContact O-N 2.81Å; S57-H61 VanDerWaalsContact O-N 3.11Å; S57-H61 PolarHBondContact O-ND1 3.42Å
58V91.1Very high88.9Confident2 Ų220.5 Ų20.51%0.01210%0.103CC..Hα-helixtrans-72.9-32.9-179.6175.60000111.8I11 V12 R54 L55 L56 H61 C62 I257I11-V58 HydrophobicContact CB-CG1 4.5Å; I11-V58 HydrophobicContact CG2-CB 4.34Å; I11-V58 HydrophobicContact CG2-CG1 3.94Å; I11-V58 HydrophobicContact CG2-CG2 3.44Å; I11-V58 VanDerWaalsContact CG2-CG2 3.44Å; V12-V58 HydrophobicContact CB-CG1 4.5Å; V12-V58 HydrophobicContact CG2-CG1 3.44Å; V12-V58 VanDerWaalsContact CG2-CG1 3.44Å; R54-V58 VanDerWaalsContact O-CB 3.31Å; R54-V58 WeakPolarHBondContact O-CB 3.46Å; R54-V58 WeakPolarHBondContact O-CG2 3.3Å; R54-V58 PolarHBondContact O-N 3.31Å; L55-V58 PolarHBondContact O-N 3.5Å; L56-V58 VanDerWaalsContact C-N 3.35Å; L56-V58 PolarHBondContact O-N 3.07Å; V58-H61 PolarHBondContact O-N 3.17Å; V58-C62 PolarHBondContact O-N 2.89Å; V58-C62 PolarHBondContact O-SG 2.83Å; V58-I257 HydrophobicContact CG2-CD1 3.97Å; V58-I257 HydrophobicContact CG2-CG1 4.49Å
59V93.8Very high88.3Confident2 Ų230 Ų301%0.01214%0.135CC..Hα-helixtrans-67.2-40.5172.41720000111.4L55 L56 H61 C62 L63 L158 L167 F171 L231L55-V59 HydrophobicContact CD1-CG2 4.05Å; L55-V59 HydrophobicContact CG-CG2 4.48Å; L55-V59 WeakPolarHBondContact O-CB 3.36Å; L55-V59 VanDerWaalsContact O-CG2 3.3Å; L55-V59 WeakPolarHBondContact O-CG2 3.3Å; L55-V59 PolarHBondContact O-N 3.18Å; L56-V59 PolarHBondContact O-N 3.35Å; V59-H61 VanDerWaalsContact C-N 3.27Å; V59-H61 PolarHBondContact O-N 3.25Å; V59-C62 PolarHBondContact O-N 2.66Å; V59-C62 VanDerWaalsContact O-N 3.15Å; V59-L63 PolarHBondContact O-N 2.82Å; V59-L158 HydrophobicContact CG1-CD1 4.05Å; V59-L158 HydrophobicContact CG1-CD2 3.56Å; V59-L158 HydrophobicContact CG1-CG 4.46Å; V59-L167 HydrophobicContact CG1-CD1 4.49Å; V59-L167 HydrophobicContact CG1-CD2 4.4Å; V59-F171 HydrophobicContact CG1-CE2 4.27Å; V59-F171 HydrophobicContact CG1-CZ 3.92Å; V59-L231 HydrophobicContact CG2-CD1 4.24Å; V59-L231 HydrophobicContact CG2-CD2 3.66Å
60E92.8Very high87.1Confident6 Ų636.6 Ų36.63%0.02816%0.162CC..Hα-helixtrans-55.7-43.2170-69.7168.6-146.700111L56 S57 L63 C64 R155 L158 L254L56-E60 WeakPolarHBondContact O-CG 3.23Å; L56-E60 PolarHBondContact O-N 2.93Å; S57-E60 WeakPolarHBondContact O-CB 3.4Å; S57-E60 PolarHBondContact O-N 3.06Å; E60-L63 PolarHBondContact O-N 2.72Å; E60-C64 WeakPolarHBondContact O-CB 3.49Å; E60-C64 PolarHBondContact O-N 3.29Å; E60-C64 PolarHBondContact O-SG 2.88Å; E60-R155 HydrophobicContact CG-CG 4.33Å; E60-R155 VanDerWaalsContact OE1-CG 3.3Å; E60-R155 WeakPolarHBondContact OE1-CG 3.09Å; E60-R155 IonicContact OE1-CZ 2.71Å; E60-R155 IonicContact OE1-NE 3.77Å; E60-R155 PolarHBondContact OE1-NE 2.77Å; E60-R155 IonicContact OE1-NH2 2.64Å; E60-R155 IonicContact OE2-CZ 3.23Å; E60-R155 VanDerWaalsContact OE2-CZ 3.25Å; E60-R155 IonicContact OE2-NE 2.82Å; E60-R155 PolarHBondContact OE2-NE 3.19Å; E60-R155 IonicContact OE2-NH2 2.77Å; E60-R155 PolarHBondContact OE2-NH2 3.43Å; E60-L158 HydrophobicContact CG-CD1 3.87Å; E60-L254 HydrophobicContact CB-CD1 3.6Å; E60-L254 HydrophobicContact CG-CD1 4.49Å; E60-L254 WeakPolarHBondContact OE2-CD1 3.47Å
61H91.4Very high85.6Confident35 Ų3537.2 Ų37.216%0.16217%0.168CC..Hα-helixtrans-66.8-37.1176.2-74.369.9000113.1L8 S57 V58 V59 L63 C64 H65 L254 H255 I257L8-H61 HydrophobicContact CD1-CB 4.43Å; L8-H61 HydrophobicContact CD2-CB 3.7Å; S57-H61 PolarHBondContact O-N 2.81Å; S57-H61 VanDerWaalsContact O-N 3.11Å; S57-H61 PolarHBondContact O-ND1 3.42Å; V58-H61 PolarHBondContact O-N 3.17Å; V59-H61 VanDerWaalsContact C-N 3.27Å; V59-H61 PolarHBondContact O-N 3.25Å; H61-L63 VanDerWaalsContact C-N 3.33Å; H61-L63 PolarHBondContact O-N 3.01Å; H61-C64 PolarHBondContact O-N 2.9Å; H61-H65 VanDerWaalsContact O-CB 3.27Å; H61-H65 WeakPolarHBondContact O-CB 3.06Å; H61-H65 PolarHBondContact O-N 3.05Å; H61-L254 VanDerWaalsContact CE1-CD1 3.48Å; H61-L254 WeakPolarHBondContact CE1-CD1 3.38Å; H61-L254 VanDerWaalsContact CE1-CG 3.45Å; H61-L254 WeakPolarHBondContact CE1-CG 3.34Å; H61-H255 PolarHBondContact CE1-O 3.15Å; H61-H255 PolarHBondContact NE2-O 2.76Å; H61-I257 HydrophobicContact CB-CD1 3.88Å; H61-I257 VanDerWaalsContact CG-CD1 3.41Å
62C93.8Very high83.6Confident0 Ų039 Ų390%018%0.179CC..Hα-helixtrans-63.2-39.5175.9-67.10000111.8V58 V59 L218 V227V58-C62 PolarHBondContact O-N 2.89Å; V58-C62 PolarHBondContact O-SG 2.83Å; V59-C62 PolarHBondContact O-N 2.66Å; V59-C62 VanDerWaalsContact O-N 3.15Å; C62-L218 HydrophobicContact CB-CD1 4.49Å; C62-L218 HydrophobicContact CB-CD2 4.1Å; C62-V227 HydrophobicContact CB-CG1 4.43Å
63L93Very high81.2Confident1 Ų142.9 Ų42.91%0.00520%0.203CC..Hα-helixtrans-68.9-34.3172.5-72.5167.2000112.9V59 E60 H61 P120 L124 L158 F171 Y213 L219V59-L63 PolarHBondContact O-N 2.82Å; E60-L63 PolarHBondContact O-N 2.72Å; H61-L63 VanDerWaalsContact C-N 3.33Å; H61-L63 PolarHBondContact O-N 3.01Å; L63-P120 HydrophobicContact CB-CB 3.96Å; L63-P120 HydrophobicContact CB-CG 4.45Å; L63-L124 HydrophobicContact CD1-CD1 4.41Å; L63-L124 HydrophobicContact CD1-CD2 3.98Å; L63-L124 HydrophobicContact CD2-CD2 3.86Å; L63-L158 HydrophobicContact CD1-CD1 4.18Å; L63-L158 HydrophobicContact CD1-CD2 4.01Å; L63-L158 HydrophobicContact CD1-CG 4.39Å; L63-F171 HydrophobicContact CD1-CZ 4.41Å; L63-F171 HydrophobicContact CD2-CE2 4.07Å; L63-F171 HydrophobicContact CD2-CZ 3.82Å; L63-F171 HydrophobicContact CG-CE2 4.34Å; L63-F171 HydrophobicContact CG-CZ 3.83Å; L63-Y213 VanDerWaalsContact O-CE1 3.29Å; L63-Y213 WeakPolarHBondContact O-CE1 3.39Å; L63-Y213 PolarHBondContact O-OH 2.81Å; L63-L219 HydrophobicContact CD2-CD1 4.21Å
64C92.1Very high78.7Confident15 Ų1544.9 Ų44.910%0.10123%0.225CC..Hα-helixtrans-88.1-19.9-175.9-63.40000114.2E60 H61 G66 L67 P118 L254E60-C64 WeakPolarHBondContact O-CB 3.49Å; E60-C64 PolarHBondContact O-N 3.29Å; E60-C64 PolarHBondContact O-SG 2.88Å; H61-C64 PolarHBondContact O-N 2.9Å; C64-G66 PolarHBondContact O-N 3.12Å; C64-L67 WeakPolarHBondContact O-CB 3.43Å; C64-L67 PolarHBondContact O-N 3.48Å; C64-L67 VanDerWaalsContact O-N 3.09Å; C64-P118 HydrophobicContact CB-CB 3.77Å; C64-P118 HydrophobicContact CB-CG 3.68Å; C64-P118 WeakPolarHBondContact SG-CG 3.39Å; C64-L254 HydrophobicContact CB-CD2 4.12Å
65H91.3Very high76Confident24 Ų2451 Ų5111%0.11126%0.26CS..THydrogen-bonded Turntrans-65.7103.1-172.8176.3-67.2000112.1E4 R5 L8 H61 G216 A217 L218E4-H65 WeakPolarHBondContact CB-NE2 3.43Å; R5-H65 WeakPolarHBondContact CG-CE1 3.3Å; L8-H65 HydrophobicContact CD1-CB 3.87Å; H61-H65 VanDerWaalsContact O-CB 3.27Å; H61-H65 WeakPolarHBondContact O-CB 3.06Å; H61-H65 PolarHBondContact O-N 3.05Å; H65-G216 PolarHBondContact CE1-O 3.47Å; H65-A217 VanDerWaalsContact O-CA 3.3Å; H65-A217 WeakPolarHBondContact O-CA 3.36Å; H65-A217 WeakPolarHBondContact O-CB 3.33Å; H65-L218 HydrophobicContact CB-CB 4.03Å; H65-L218 PolarHBondContact ND1-N 3.34Å; H65-L218 VanDerWaalsContact ND1-N 3.19Å; H65-L218 PolarHBondContact O-N 2.84Å
66G88.4Confident73Confident20 Ų2055.6 Ų55.621%0.20629%0.292CS..THydrogen-bonded Turntrans8614.6-179.800000114.3C64 H214C64-G66 PolarHBondContact O-N 3.12Å; G66-H214 PolarHBondContact O-CD2 3.45Å; G66-H214 PolarHBondContact O-N 2.79Å
67L89.9Confident70.1Confident25 Ų2565.3 Ų65.313%0.13133%0.334CS..BIsolated β-bridgetrans-66.5136174.1-170.876.2000111C64 P118 N119 P120 V123 F212 Y213C64-L67 WeakPolarHBondContact O-CB 3.43Å; C64-L67 PolarHBondContact O-N 3.48Å; C64-L67 VanDerWaalsContact O-N 3.09Å; L67-P118 HydrophobicContact CD2-CB 4.2Å; L67-N119 WeakPolarHBondContact CD2-O 3.37Å; L67-P120 HydrophobicContact CD2-CB 4.44Å; L67-V123 HydrophobicContact CD1-CG2 3.69Å; L67-F212 HydrophobicContact CD1-CB 4.19Å; L67-Y213 HydrophobicContact CB-CD1 4.26Å; L67-Y213 HydrophobicContact CB-CE1 3.93Å; L67-Y213 HydrophobicContact CD1-CD1 4.17Å; L67-Y213 HydrophobicContact CD1-CE1 3.65Å; L67-Y213 HydrophobicContact CD1-CE2 4.38Å; L67-Y213 HydrophobicContact CG-CE1 4.42Å
68R85.4Confident67.5Low94 Ų9471.5 Ų71.536%0.35537%0.367SS..  trans-78.7150.6177.1-61.5-175.3-167.3-116.82.3111.2T211 F212 Y213R68-T211 WeakPolarHBondContact CD-O 3.44Å; R68-F212 WeakPolarHBondContact CB-O 3.49Å; R68-F212 PolarHBondContact N-O 3.44Å; R68-Y213 PolarHBondContact NE-O 3.48Å; R68-Y213 PolarHBondContact NH2-O 3.14Å
69R69.7Low64.5Low237 Ų23777.8 Ų77.889%0.89440%0.4SS*.SBendtrans-82.5-24.7179.4-63.7-178.3-180176.1-0.7113.7
70E55.1Low61.6Low170 Ų17086 Ų8679%0.79444%0.437SS*.SBendtrans-96.5-23.3-164.5-67.4158.516700114T72E70-T72 PolarHBondContact O-N 2.85Å
71S49.4Very low58.8Low30 Ų3092.2 Ų92.221%0.2147%0.47CS..  trans-77.645.2-173.4560000113.8
72T44.7Very low56.2Low46 Ų4698.4 Ų98.428%0.28250%0.499SS..  trans-130.819.5-168.760.90000114.9E70 P122E70-T72 PolarHBondContact O-N 2.85Å; T72-P122 HydrophobicContact CG2-CG 4.29Å
73T37.3Very low53.3Low80 Ų80110.5 Ų110.549%0.49154%0.544SS..  trans-164.6158.2172.829.80000109.9K113T73-K113 PolarHBondContact OG1-NZ 2.99Å
74P35Very low50.7Low113 Ų113116.1 Ų116.173%0.73458%0.579SS**  cis-134.6167.9-37.139.1-24000112.7
75D29.7Very low48.4Very low157 Ų157119.9 Ų119.984%0.8461%0.606SS**  trans-68.1133.9165.6-87.6-44.1000110.6
76S29.1Very low45.9Very low99 Ų99123.6 Ų123.669%0.69263%0.634SS**  trans-87.2140.4179.454.90000111.9
77F30.9Very low44Very low209 Ų209132 Ų13292%0.91767%0.665SS**  trans-131.3128.4162.1-103.1-87.2000109.9
78N33.3Very low42Very low136 Ų136137.5 Ų137.573%0.72769%0.69SS**  trans-68.2140.9-166.4-70.7-43.4000113F80N78-F80 HydrophobicContact CB-CD2 4.44Å; N78-F80 PolarHBondContact O-N 3.39Å
79D28.4Very low40Very low134 Ų134138.6 Ų138.672%0.71770%0.703SS**  trans-65.4119.6162.9178.325.8000109.5N81D79-N81 PolarHBondContact OD1-ND2 3.25Å; D79-N81 PolarHBondContact OD2-ND2 2.99Å
80F33.2Very low38.8Very low176 Ų176136 Ų13677%0.77270%0.703SS**  trans-124.894.1174.2-116-80.3000110N78 Q82N78-F80 HydrophobicContact CB-CD2 4.44Å; N78-F80 PolarHBondContact O-N 3.39Å; F80-Q82 PolarHBondContact O-N 2.57Å; F80-Q82 VanDerWaalsContact O-N 3.07Å
81N32.6Very low38.6Very low136 Ų136136.2 Ų136.273%0.72770%0.701SS**  trans-63.3103.2176.2-90.1-89.6000111.6D79D79-N81 PolarHBondContact OD1-ND2 3.25Å; D79-N81 PolarHBondContact OD2-ND2 2.99Å
82Q38.9Very low38.6Very low165 Ų165136.6 Ų136.677%0.77170%0.704SS**  trans-131.9124.5159.2-79.4-168-8.600111.6F80F80-Q82 PolarHBondContact O-N 2.57Å; F80-Q82 VanDerWaalsContact O-N 3.07Å
83R32Very low38.9Very low253 Ų253137 Ų13796%0.95571%0.712SS**  trans-82.2114.1175.3-65.2175.1176.6174-2.2109.6
84T39.1Very low39.8Very low120 Ų120138.6 Ų138.674%0.73672%0.722SS**  trans-128.5136.5171.444.70000113.2
85S42.7Very low41Very low94 Ų94135.9 Ų135.966%0.65770%0.703SS**  trans-28.9143-177.8-169.30000118.6K87S85-K87 PolarHBondContact O-N 2.82Å
86S38.6Very low42.4Very low102 Ų102132.2 Ų132.271%0.71369%0.686SS**THydrogen-bonded Turntrans-65.823.9-176.9-168.90000116.6
87K48.1Very low44Very low196 Ų196132.9 Ų132.985%0.85268%0.68SS**THydrogen-bonded Turntrans-111.3-14.2179.9-74.6-170.8174.1-177.30115.4S85S85-K87 PolarHBondContact O-N 2.82Å
88E48.3Very low45.4Very low141 Ų141130.2 Ų130.266%0.65966%0.664SS**SBendtrans-85.7-16.4177.6-74.6-110.6102.900113.9M90 K91E88-M90 VanDerWaalsContact C-N 3.25Å; E88-M90 PolarHBondContact O-N 3.26Å; E88-K91 PolarHBondContact O-N 3.44Å
89L43.9Very low46.6Very low117 Ų117131.2 Ų131.261%0.61366%0.658SS**G310 helixtrans-50.9-32.5-168.3-93.2145.6000115.6K91 S92L89-K91 PolarHBondContact O-N 3.3Å; L89-S92 WeakPolarHBondContact O-CB 2.92Å; L89-S92 PolarHBondContact O-N 3.39Å; L89-S92 VanDerWaalsContact O-N 3.07Å
90M43.9Very low47.8Very low183 Ų183127.5 Ų127.590%0.90165%0.646SS**G310 helixtrans-74.8-19.1-178.4-69.8-150.2-71.900115.1E88 S92E88-M90 VanDerWaalsContact C-N 3.25Å; E88-M90 PolarHBondContact O-N 3.26Å; M90-S92 VanDerWaalsContact C-N 3.26Å
91K51.2Low48.9Very low174 Ų174122.6 Ų122.676%0.75763%0.633SS**G310 helixtrans-78.1-14.3167-78.6-176177.5176.10112.7E88 L89 A93E88-K91 PolarHBondContact O-N 3.44Å; L89-K91 PolarHBondContact O-N 3.3Å; K91-A93 VanDerWaalsContact C-N 3.34Å
92S49.7Very low50.1Low38 Ų38120 Ų12027%0.26662%0.619SS.*SBendtrans-76.1-19.1-177.6-149.20000113.4L89 M90 T94 T95 V96L89-S92 WeakPolarHBondContact O-CB 2.92Å; L89-S92 PolarHBondContact O-N 3.39Å; L89-S92 VanDerWaalsContact O-N 3.07Å; M90-S92 VanDerWaalsContact C-N 3.26Å; S92-T94 PolarHBondContact O-N 3.46Å; S92-T95 CarbonylContact O-C 3.59Å; S92-T95 WeakPolarHBondContact O-CA 3.28Å; S92-T95 WeakPolarHBondContact O-CB 3.29Å; S92-T95 PolarHBondContact O-N 3.09Å; S92-V96 WeakPolarHBondContact O-CG2 3.47Å; S92-V96 PolarHBondContact O-N 3.25Å
93A50.2Low50.8Low55 Ų55118.3 Ų118.346%0.45561%0.611SS.*Hα-helixtrans-52.5-49.7-172.600000113.5K91 T95 V96 I97K91-A93 VanDerWaalsContact C-N 3.34Å; A93-T95 VanDerWaalsContact C-N 3.3Å; A93-T95 PolarHBondContact O-N 3.19Å; A93-V96 PolarHBondContact O-N 2.96Å; A93-I97 WeakPolarHBondContact O-CB 3.44Å; A93-I97 VanDerWaalsContact O-CG1 3.3Å; A93-I97 WeakPolarHBondContact O-CG1 3.28Å; A93-I97 PolarHBondContact O-N 2.79Å
94T57.8Low51.7Low113 Ų113109 Ų10969%0.69359%0.588SS**Hα-helixtrans-64.8-34.3177-42.80000112.3S92 R98S92-T94 PolarHBondContact O-N 3.46Å; T94-R98 WeakPolarHBondContact O-CB 3.34Å; T94-R98 PolarHBondContact O-N 3.32Å
95T60Low52.4Low55 Ų55107.5 Ų107.534%0.33758%0.578SS.*Hα-helixtrans-72.5-35.2177.5-29.20000112.1S92 A93 R99S92-T95 CarbonylContact O-C 3.59Å; S92-T95 WeakPolarHBondContact O-CA 3.28Å; S92-T95 WeakPolarHBondContact O-CB 3.29Å; S92-T95 PolarHBondContact O-N 3.09Å; A93-T95 VanDerWaalsContact C-N 3.3Å; A93-T95 PolarHBondContact O-N 3.19Å; T95-R99 WeakPolarHBondContact O-CB 3.37Å; T95-R99 VanDerWaalsContact O-CG 3.3Å; T95-R99 WeakPolarHBondContact O-CG 3.48Å; T95-R99 PolarHBondContact O-N 3.3Å
96V58.1Low52.6Low81 Ų81105.6 Ų105.649%0.49157%0.565SS.*Hα-helixtrans-71-44.6174.4170.60000110.3S92 A93 R98 R99 A100S92-V96 WeakPolarHBondContact O-CG2 3.47Å; S92-V96 PolarHBondContact O-N 3.25Å; A93-V96 PolarHBondContact O-N 2.96Å; V96-R98 VanDerWaalsContact C-N 3.35Å; V96-R98 PolarHBondContact O-N 2.92Å; V96-R99 PolarHBondContact O-N 3.42Å; V96-A100 WeakPolarHBondContact O-CB 3.39Å; V96-A100 PolarHBondContact O-N 3.11Å
97I62.2Low52.8Low112 Ų112103.7 Ų103.757%0.57455%0.549SS*.Hα-helixtrans-60-45.2173.3-69.2164.9000110.4A93 A100 C101A93-I97 WeakPolarHBondContact O-CB 3.44Å; A93-I97 VanDerWaalsContact O-CG1 3.3Å; A93-I97 WeakPolarHBondContact O-CG1 3.28Å; A93-I97 PolarHBondContact O-N 2.79Å; I97-A100 PolarHBondContact O-N 3.18Å; I97-C101 PolarHBondContact O-N 3.48Å; I97-C101 PolarHBondContact O-SG 3.48Å
98R62.2Low52.5Low153 Ų15396.6 Ų96.658%0.57753%0.527SS*.Hα-helixtrans-60.6-48.4175.8-168.8173.870.579.8-17.5111.7T94 V96 A100 C101 D102T94-R98 WeakPolarHBondContact O-CB 3.34Å; T94-R98 PolarHBondContact O-N 3.32Å; V96-R98 VanDerWaalsContact C-N 3.35Å; V96-R98 PolarHBondContact O-N 2.92Å; R98-A100 VanDerWaalsContact C-N 3.28Å; R98-A100 PolarHBondContact O-N 3.08Å; R98-C101 WeakPolarHBondContact O-CB 3.31Å; R98-C101 PolarHBondContact O-N 3.48Å; R98-C101 VanDerWaalsContact O-N 3.16Å; R98-D102 IonicContact CZ-OD2 2.68Å; R98-D102 IonicContact NH1-OD2 2.67Å; R98-D102 PolarHBondContact NH1-OD2 3.3Å; R98-D102 WeakPolarHBondContact O-CB 3.32Å; R98-D102 PolarHBondContact O-N 3.11Å
99R56.9Low52.3Low157 Ų15794 Ų9459%0.59252%0.517SS*.Hα-helixtrans-60.4-34.7175.2-76.6171.3175.3151.3-4113.1T95 V96 H103T95-R99 WeakPolarHBondContact O-CB 3.37Å; T95-R99 VanDerWaalsContact O-CG 3.3Å; T95-R99 WeakPolarHBondContact O-CG 3.48Å; T95-R99 PolarHBondContact O-N 3.3Å; V96-R99 PolarHBondContact O-N 3.42Å; R99-H103 WeakPolarHBondContact O-CB 3.36Å; R99-H103 PolarHBondContact O-N 3.38Å
100A55Low52.1Low57 Ų5792.7 Ų92.747%0.47151%0.51SS..Hα-helixtrans-69-39.9175.400000111.6V96 I97 R98 A104V96-A100 WeakPolarHBondContact O-CB 3.39Å; V96-A100 PolarHBondContact O-N 3.11Å; I97-A100 PolarHBondContact O-N 3.18Å; R98-A100 VanDerWaalsContact C-N 3.28Å; R98-A100 PolarHBondContact O-N 3.08Å; A100-A104 WeakPolarHBondContact O-CB 3.39Å; A100-A104 PolarHBondContact O-N 2.74Å
101C56.3Low51.7Low72 Ų7292.1 Ų92.149%0.48650%0.503SS..Hα-helixtrans-63.6-48.3169.9-70.40000111.8I97 R98 H103 A104 V105I97-C101 PolarHBondContact O-N 3.48Å; I97-C101 PolarHBondContact O-SG 3.48Å; R98-C101 WeakPolarHBondContact O-CB 3.31Å; R98-C101 PolarHBondContact O-N 3.48Å; R98-C101 VanDerWaalsContact O-N 3.16Å; C101-H103 VanDerWaalsContact C-N 3.27Å; C101-H103 PolarHBondContact O-N 2.84Å; C101-A104 PolarHBondContact O-N 2.97Å; C101-A104 VanDerWaalsContact O-N 3.14Å; C101-V105 WeakPolarHBondContact O-CB 3.35Å; C101-V105 WeakPolarHBondContact O-CG2 3.25Å; C101-V105 PolarHBondContact O-N 3.4Å
102D57.7Low51.2Low81 Ų8186.9 Ų86.943%0.43348%0.482SS..Hα-helixtrans-57.8-42.2177.8-60.5-25.7000110.4R98 S106R98-D102 IonicContact CZ-OD2 2.68Å; R98-D102 IonicContact NH1-OD2 2.67Å; R98-D102 PolarHBondContact NH1-OD2 3.3Å; R98-D102 WeakPolarHBondContact O-CB 3.32Å; R98-D102 PolarHBondContact O-N 3.11Å; D102-S106 VanDerWaalsContact O-CB 3.32Å; D102-S106 WeakPolarHBondContact O-CB 3.46Å; D102-S106 PolarHBondContact O-N 2.86Å
103H52.2Low50.8Low131 Ų13189.8 Ų89.861%0.60649%0.49SS*.Hα-helixtrans-70-38.6175.1-171.1-82.5000113R99 C101 S106 T107R99-H103 WeakPolarHBondContact O-CB 3.36Å; R99-H103 PolarHBondContact O-N 3.38Å; C101-H103 VanDerWaalsContact C-N 3.27Å; C101-H103 PolarHBondContact O-N 2.84Å; H103-S106 PolarHBondContact O-N 2.79Å; H103-T107 PolarHBondContact CE1-OG1 3.38Å; H103-T107 PolarHBondContact ND1-OG1 3.47Å; H103-T107 VanDerWaalsContact O-CB 3.32Å; H103-T107 WeakPolarHBondContact O-CB 3.37Å; H103-T107 PolarHBondContact O-N 3.35Å; H103-T107 PolarHBondContact O-OG1 3.26Å
104A52Low50.2Low57 Ų5794.3 Ų94.347%0.47151%0.507SS..Hα-helixtrans-67.8-40.8177.100000111.7A100 C101 T107 A108A100-A104 WeakPolarHBondContact O-CB 3.39Å; A100-A104 PolarHBondContact O-N 2.74Å; C101-A104 PolarHBondContact O-N 2.97Å; C101-A104 VanDerWaalsContact O-N 3.14Å; A104-T107 PolarHBondContact O-N 2.74Å; A104-A108 WeakPolarHBondContact O-CB 3.48Å; A104-A108 PolarHBondContact O-N 3.36Å
105V52.9Low49.6Very low89 Ų8991.6 Ų91.654%0.53949%0.492SS..Hα-helixtrans-63.9-43.9172.2171.50000110.5C101 T107 A108 N109C101-V105 WeakPolarHBondContact O-CB 3.35Å; C101-V105 WeakPolarHBondContact O-CG2 3.25Å; C101-V105 PolarHBondContact O-N 3.4Å; V105-T107 VanDerWaalsContact C-N 3.34Å; V105-T107 PolarHBondContact O-N 2.95Å; V105-A108 PolarHBondContact O-N 3.2Å; V105-N109 WeakPolarHBondContact O-CB 3.48Å; V105-N109 VanDerWaalsContact O-CG 3.28Å; V105-N109 PolarHBondContact O-N 3.25Å; V105-N109 PolarHBondContact O-ND2 3.17Å
106S48Very low49.4Very low54 Ų5494.1 Ų94.138%0.37851%0.512SS..Hα-helixtrans-59.6-43172.8-171.10000112.1D102 H103 N109 I110D102-S106 VanDerWaalsContact O-CB 3.32Å; D102-S106 WeakPolarHBondContact O-CB 3.46Å; D102-S106 PolarHBondContact O-N 2.86Å; H103-S106 PolarHBondContact O-N 2.79Å; S106-N109 WeakPolarHBondContact O-CB 3.4Å; S106-N109 PolarHBondContact O-N 3.4Å; S106-I110 VanDerWaalsContact O-CG1 3.27Å; S106-I110 WeakPolarHBondContact O-CG1 3.25Å; S106-I110 PolarHBondContact O-N 2.89Å
107T41.7Very low49.8Very low61 Ų6193.4 Ų93.437%0.37450%0.503SS..Hα-helixtrans-69-38.6178.9-55.10000112H103 A104 V105 I110 F111H103-T107 PolarHBondContact CE1-OG1 3.38Å; H103-T107 PolarHBondContact ND1-OG1 3.47Å; H103-T107 VanDerWaalsContact O-CB 3.32Å; H103-T107 WeakPolarHBondContact O-CB 3.37Å; H103-T107 PolarHBondContact O-N 3.35Å; H103-T107 PolarHBondContact O-OG1 3.26Å; A104-T107 PolarHBondContact O-N 2.74Å; V105-T107 VanDerWaalsContact C-N 3.34Å; V105-T107 PolarHBondContact O-N 2.95Å; T107-I110 WeakPolarHBondContact O-CB 3.49Å; T107-I110 PolarHBondContact O-N 3.08Å; T107-F111 PolarHBondContact O-N 3.15Å
108A42.4Very low50.7Low48 Ų4890 Ų9040%0.39749%0.488SS..Hα-helixtrans-64.8-40.9173.200000111.5A104 V105 I110 F111 M112A104-A108 WeakPolarHBondContact O-CB 3.48Å; A104-A108 PolarHBondContact O-N 3.36Å; V105-A108 PolarHBondContact O-N 3.2Å; A108-I110 VanDerWaalsContact C-N 3.35Å; A108-F111 PolarHBondContact O-N 3.48Å; A108-M112 PolarHBondContact O-N 3.44Å
109N43.6Very low52Low85 Ų8585.3 Ų85.346%0.45548%0.475SS..Hα-helixtrans-62-41.4171.6-73.9-29.1000111.6V105 S106 M112 K113V105-N109 WeakPolarHBondContact O-CB 3.48Å; V105-N109 VanDerWaalsContact O-CG 3.28Å; V105-N109 PolarHBondContact O-N 3.25Å; V105-N109 PolarHBondContact O-ND2 3.17Å; S106-N109 WeakPolarHBondContact O-CB 3.4Å; S106-N109 PolarHBondContact O-N 3.4Å; N109-M112 CarbonylContact O-C 3.57Å; N109-M112 PolarHBondContact O-N 3.01Å; N109-K113 WeakPolarHBondContact O-CG 3.33Å; N109-K113 PolarHBondContact O-N 3.45Å; N109-K113 VanDerWaalsContact O-N 3.11Å
110I39.3Very low53.6Low90 Ų9077.9 Ų77.946%0.46245%0.447SS..Hα-helixtrans-61.8-42.8173.8-71.5162.7000111.1S106 T107 A108 M112 K113S106-I110 VanDerWaalsContact O-CG1 3.27Å; S106-I110 WeakPolarHBondContact O-CG1 3.25Å; S106-I110 PolarHBondContact O-N 2.89Å; T107-I110 WeakPolarHBondContact O-CB 3.49Å; T107-I110 PolarHBondContact O-N 3.08Å; A108-I110 VanDerWaalsContact C-N 3.35Å; I110-M112 VanDerWaalsContact C-N 3.3Å; I110-M112 PolarHBondContact O-N 2.92Å; I110-K113 VanDerWaalsContact O-CB 3.29Å; I110-K113 WeakPolarHBondContact O-CB 3.46Å; I110-K113 PolarHBondContact O-N 2.87Å; I110-K113 VanDerWaalsContact O-N 3.12Å
111F35.7Very low55.4Low172 Ų17276.3 Ų76.375%0.75443%0.429SS*.Hα-helixtrans-66.9-32.4176.9-139.2-96.2000112.2T107 A108 K113T107-F111 PolarHBondContact O-N 3.15Å; A108-F111 PolarHBondContact O-N 3.48Å; F111-K113 VanDerWaalsContact C-N 3.31Å; F111-K113 PolarHBondContact O-N 3.07Å
112M41.7Very low57Low63 Ų6374.2 Ų74.231%0.3142%0.415SS..Hα-helixtrans-76.2-7.8172.6-72.8-169.8-74.200114.6A108 N109 I110 N114 S115 R148A108-M112 PolarHBondContact O-N 3.44Å; N109-M112 CarbonylContact O-C 3.57Å; N109-M112 PolarHBondContact O-N 3.01Å; I110-M112 VanDerWaalsContact C-N 3.3Å; I110-M112 PolarHBondContact O-N 2.92Å; M112-N114 PolarHBondContact O-N 3.48Å; M112-N114 VanDerWaalsContact O-N 3.12Å; M112-S115 WeakPolarHBondContact O-CB 3.46Å; M112-S115 PolarHBondContact O-N 2.97Å; M112-S115 PolarHBondContact O-OG 3.4Å; M112-R148 HydrophobicContact CE-CB 4.4Å; M112-R148 VanDerWaalsContact CE-O 3.26Å; M112-R148 WeakPolarHBondContact CE-O 3.29Å; M112-R148 HydrophobicContact SD-CB 3.99Å
113K42.1Very low58.6Low100 Ų10070.4 Ų70.444%0.43539%0.394SS..THydrogen-bonded Turntrans-62.8-14.8171.6-68.8-175.9175.2-169.30113.3T73 N109 I110 F111T73-K113 PolarHBondContact OG1-NZ 2.99Å; N109-K113 WeakPolarHBondContact O-CG 3.33Å; N109-K113 PolarHBondContact O-N 3.45Å; N109-K113 VanDerWaalsContact O-N 3.11Å; I110-K113 VanDerWaalsContact O-CB 3.29Å; I110-K113 WeakPolarHBondContact O-CB 3.46Å; I110-K113 PolarHBondContact O-N 2.87Å; I110-K113 VanDerWaalsContact O-N 3.12Å; F111-K113 VanDerWaalsContact C-N 3.31Å; F111-K113 PolarHBondContact O-N 3.07Å
114N36.6Very low60.6Low150 Ų15064.2 Ų64.280%0.80237%0.365SS*.THydrogen-bonded Turntrans-870.4173.2-69.8-14.9000113.9M112M112-N114 PolarHBondContact O-N 3.48Å; M112-N114 VanDerWaalsContact O-N 3.12Å
115S44.3Very low62.4Low56 Ų5664 Ų6439%0.39236%0.356SS..SBendtrans-72.7134.4169.263.30000110.5M112 H117M112-S115 WeakPolarHBondContact O-CB 3.46Å; M112-S115 PolarHBondContact O-N 2.97Å; M112-S115 PolarHBondContact O-OG 3.4Å; S115-H117 PolarHBondContact O-N 3.08Å
116S56.1Low64.2Low108 Ų10861.1 Ų61.176%0.75534%0.337SS*.  trans-79.825.9-171.357.30000114
117H66.3Low66.2Low65 Ų6558.5 Ų58.530%0.30132%0.319SS..SBendtrans-118.7141.9-164.9-57.3-22.9000111.9S115S115-H117 PolarHBondContact O-N 3.08Å
118P82.4Confident68.5Low40 Ų4056.5 Ų56.526%0.2631%0.305SS..  trans-65.6141.417528.9-34.6000110.5C64 L67 P120 L254C64-P118 HydrophobicContact CB-CB 3.77Å; C64-P118 HydrophobicContact CB-CG 3.68Å; C64-P118 WeakPolarHBondContact SG-CG 3.39Å; L67-P118 HydrophobicContact CD2-CB 4.2Å; P118-P120 VanDerWaalsContact O-CD 3.26Å; P118-P120 WeakPolarHBondContact O-CD 3.4Å; P118-L254 HydrophobicContact CG-CD2 3.79Å
119N88.1Confident70.7Confident56 Ų5661.1 Ų61.130%0.29932%0.316SS..  trans-116.583.3-177.8-179.98.5000111.1L67 W121 P122 G150L67-N119 WeakPolarHBondContact CD2-O 3.37Å; N119-W121 PolarHBondContact O-N 3.47Å; N119-W121 WeakPolarHBondContact OD1-CB 3.49Å; N119-W121 PolarHBondContact OD1-N 3.22Å; N119-P122 VanDerWaalsContact O-CD 3.28Å; N119-P122 WeakPolarHBondContact O-CD 3.46Å; N119-G150 VanDerWaalsContact OD1-CA 3.3Å; N119-G150 WeakPolarHBondContact OD1-CA 3.17Å
120P91.5Very high72.7Confident1 Ų161.1 Ų61.11%0.00632%0.316CS..  trans-74.30.7178.729.6-33.3000114L63 L67 P118 V123 L124 L151L63-P120 HydrophobicContact CB-CB 3.96Å; L63-P120 HydrophobicContact CB-CG 4.45Å; L67-P120 HydrophobicContact CD2-CB 4.44Å; P118-P120 VanDerWaalsContact O-CD 3.26Å; P118-P120 WeakPolarHBondContact O-CD 3.4Å; P120-V123 WeakPolarHBondContact O-CB 3.43Å; P120-V123 PolarHBondContact O-N 3.03Å; P120-L124 PolarHBondContact O-N 3.43Å; P120-L151 HydrophobicContact CG-CD1 4.35Å
121W92.6Very high74.9Confident23 Ų2357.7 Ų57.79%0.08730%0.299CS..Hα-helixtrans-55-43.8-176.3-172.2-123.2000114.3N119 V123 L124 L125 V141 R153 S154 W157N119-W121 PolarHBondContact O-N 3.47Å; N119-W121 WeakPolarHBondContact OD1-CB 3.49Å; N119-W121 PolarHBondContact OD1-N 3.22Å; W121-V123 VanDerWaalsContact C-N 3.27Å; W121-V123 PolarHBondContact O-N 2.96Å; W121-L124 HydrophobicContact CE3-CD1 4.49Å; W121-L124 PolarHBondContact O-N 3.49Å; W121-L125 HydrophobicContact CD2-CG 4.33Å; W121-L125 HydrophobicContact CG-CD1 4.47Å; W121-L125 HydrophobicContact CH2-CD2 4.38Å; W121-L125 HydrophobicContact CZ2-CD2 3.85Å; W121-L125 HydrophobicContact CZ2-CG 4.29Å; W121-L125 WeakPolarHBondContact O-CG 3.25Å; W121-L125 PolarHBondContact O-N 3.46Å; W121-V141 HydrophobicContact CH2-CB 3.73Å; W121-V141 HydrophobicContact CH2-CG1 3.73Å; W121-V141 HydrophobicContact CH2-CG2 3.85Å; W121-V141 HydrophobicContact CZ2-CB 4.34Å; W121-V141 HydrophobicContact CZ2-CG1 4.19Å; W121-V141 HydrophobicContact CZ3-CG1 4.29Å; W121-V141 HydrophobicContact CZ3-CG2 4.31Å; W121-R153 HydrophobicContact CD2-CB 3.72Å; W121-R153 HydrophobicContact CE3-CB 3.68Å; W121-R153 HydrophobicContact CG-CB 4.3Å; W121-R153 HydrophobicContact CH2-CB 4.24Å; W121-R153 HydrophobicContact CZ2-CB 4.26Å; W121-R153 HydrophobicContact CZ3-CB 3.97Å; W121-S154 WeakPolarHBondContact CA-OG 3.34Å; W121-S154 PolarHBondContact N-OG 2.89Å; W121-W157 AromaticContact CH2-CD1 3.99Å; W121-W157 HydrophobicContact CZ3-CB 3.82Å; W121-W157 AromaticContact CZ3-CD1 3.69Å; W121-W157 AromaticContact CZ3-CG 3.96Å; W121-W157 HydrophobicContact CZ3-CG 3.96Å
122P90.7Very high76.8Confident29 Ų2959.1 Ų59.119%0.18831%0.306CS..Hα-helixtrans-65.3-29.4177.8-22.136.4000113.4T72 N119 E126 F212T72-P122 HydrophobicContact CG2-CG 4.29Å; N119-P122 VanDerWaalsContact O-CD 3.28Å; N119-P122 WeakPolarHBondContact O-CD 3.46Å; P122-E126 WeakPolarHBondContact O-CB 3.43Å; P122-E126 PolarHBondContact O-N 3.19Å; P122-F212 HydrophobicContact CB-CE1 3.84Å; P122-F212 HydrophobicContact CB-CZ 3.95Å
123V91.4Very high78.3Confident0 Ų057.5 Ų57.50%030%0.299CS..Hα-helixtrans-67.1-44.8175.6-174.20000110.1L67 P120 W121 E126 A127 I174 F209 F212 Y213L67-V123 HydrophobicContact CD1-CG2 3.69Å; P120-V123 WeakPolarHBondContact O-CB 3.43Å; P120-V123 PolarHBondContact O-N 3.03Å; W121-V123 VanDerWaalsContact C-N 3.27Å; W121-V123 PolarHBondContact O-N 2.96Å; V123-E126 PolarHBondContact O-N 3.29Å; V123-A127 WeakPolarHBondContact O-CB 3.5Å; V123-A127 PolarHBondContact O-N 3.08Å; V123-I174 HydrophobicContact CG1-CD1 4.07Å; V123-F209 HydrophobicContact CG1-CD1 3.93Å; V123-F209 HydrophobicContact CG1-CE1 3.98Å; V123-F212 HydrophobicContact CB-CD2 4.4Å; V123-F212 HydrophobicContact CG2-CB 3.95Å; V123-F212 HydrophobicContact CG2-CD2 3.79Å; V123-F212 HydrophobicContact CG2-CE2 4.48Å; V123-F212 HydrophobicContact CG2-CG 3.93Å; V123-Y213 HydrophobicContact CG1-CE2 3.96Å; V123-Y213 HydrophobicContact CG2-CE2 4.03Å
124L92.4Very high79.3Confident1 Ų158.9 Ų58.91%0.00532%0.316CS..Hα-helixtrans-67.8-40178.5-61.7-178.9000111.9L63 P120 W121 E126 A127 E128 W157L63-L124 HydrophobicContact CD1-CD1 4.41Å; L63-L124 HydrophobicContact CD1-CD2 3.98Å; L63-L124 HydrophobicContact CD2-CD2 3.86Å; P120-L124 PolarHBondContact O-N 3.43Å; W121-L124 HydrophobicContact CE3-CD1 4.49Å; W121-L124 PolarHBondContact O-N 3.49Å; L124-E126 PolarHBondContact O-N 3.38Å; L124-A127 PolarHBondContact O-N 3.41Å; L124-E128 WeakPolarHBondContact O-CB 3.35Å; L124-E128 PolarHBondContact O-N 2.92Å; L124-W157 HydrophobicContact CB-CD2 4.21Å; L124-W157 HydrophobicContact CB-CZ2 4.4Å; L124-W157 HydrophobicContact CD1-CB 4.32Å; L124-W157 HydrophobicContact CD1-CD2 3.92Å; L124-W157 HydrophobicContact CD1-CE3 3.75Å; L124-W157 HydrophobicContact CD1-CG 4.17Å; L124-W157 HydrophobicContact CD1-CZ3 4.38Å; L124-W157 HydrophobicContact CD2-CD2 4.44Å; L124-W157 HydrophobicContact CD2-CE3 3.92Å; L124-W157 HydrophobicContact CD2-CH2 3.96Å; L124-W157 HydrophobicContact CD2-CZ2 4.47Å; L124-W157 HydrophobicContact CD2-CZ3 3.68Å; L124-W157 HydrophobicContact CG-CD2 4.42Å; L124-W157 HydrophobicContact CG-CE3 4.28Å; L124-W157 HydrophobicContact CG-CZ3 4.49Å
125L91.2Very high81.2Confident53 Ų5357.4 Ų57.428%0.27731%0.308SS..Hα-helixtrans-59.9-44.3172.6-72.1176.9000112.1W121 E128 K129 S138W121-L125 HydrophobicContact CD2-CG 4.33Å; W121-L125 HydrophobicContact CG-CD1 4.47Å; W121-L125 HydrophobicContact CH2-CD2 4.38Å; W121-L125 HydrophobicContact CZ2-CD2 3.85Å; W121-L125 HydrophobicContact CZ2-CG 4.29Å; W121-L125 WeakPolarHBondContact O-CG 3.25Å; W121-L125 PolarHBondContact O-N 3.46Å; L125-E128 PolarHBondContact O-N 3.36Å; L125-K129 WeakPolarHBondContact O-CG 3.45Å; L125-K129 PolarHBondContact O-N 3.02Å; L125-S138 VanDerWaalsContact CD2-CB 3.48Å
126E89.7Confident83.1Confident28 Ų2855.7 Ų55.713%0.13130%0.296CS..Hα-helixtrans-69-38.7179.4-16671.8176.400112.1P122 V123 L124 E128 K129 L130 T208 F209 F212P122-E126 WeakPolarHBondContact O-CB 3.43Å; P122-E126 PolarHBondContact O-N 3.19Å; V123-E126 PolarHBondContact O-N 3.29Å; L124-E126 PolarHBondContact O-N 3.38Å; E126-E128 VanDerWaalsContact C-N 3.31Å; E126-E128 PolarHBondContact O-N 2.96Å; E126-K129 PolarHBondContact O-N 3.16Å; E126-K129 WeakPolarHBondContact OE2-CD 3.41Å; E126-K129 WeakPolarHBondContact OE2-CE 3.41Å; E126-K129 IonicContact OE2-NZ 3.73Å; E126-K129 PolarHBondContact OE2-NZ 3.27Å; E126-L130 HydrophobicContact CG-CD1 4.4Å; E126-L130 WeakPolarHBondContact O-CG 3.34Å; E126-L130 PolarHBondContact O-N 3.41Å; E126-T208 HydrophobicContact CG-CG2 3.95Å; E126-T208 WeakPolarHBondContact OE1-CB 3.47Å; E126-T208 WeakPolarHBondContact OE1-CG2 3.3Å; E126-T208 PolarHBondContact OE1-OG1 3.1Å; E126-F209 HydrophobicContact CB-CE1 3.91Å; E126-F209 HydrophobicContact CB-CZ 4.07Å; E126-F209 HydrophobicContact CG-CE1 4.07Å; E126-F209 HydrophobicContact CG-CZ 3.91Å; E126-F212 HydrophobicContact CB-CE2 3.99Å; E126-F212 HydrophobicContact CG-CE2 4.3Å
127A90.7Very high84.7Confident0 Ų050.6 Ų50.60%026%0.26CS..Hα-helixtrans-63.3-37172.200000112.1V123 L124 L130 S131 I174 F209V123-A127 WeakPolarHBondContact O-CB 3.5Å; V123-A127 PolarHBondContact O-N 3.08Å; L124-A127 PolarHBondContact O-N 3.41Å; A127-L130 PolarHBondContact O-N 2.94Å; A127-S131 PolarHBondContact O-N 2.94Å; A127-S131 VanDerWaalsContact O-N 3.08Å; A127-I174 HydrophobicContact CB-CD1 3.96Å; A127-I174 HydrophobicContact CB-CG1 3.67Å; A127-F209 HydrophobicContact CB-CE1 4.43Å; A127-F209 HydrophobicContact CB-CZ 4.23Å
128E90.2Very high85.9Confident18 Ų1848.2 Ų48.28%0.08425%0.251CS..Hα-helixtrans-70.2-39.4176.7-167.5179.4130.700112.4L124 L125 E126 L130 S131 S136 I137 S138 W157 F170L124-E128 WeakPolarHBondContact O-CB 3.35Å; L124-E128 PolarHBondContact O-N 2.92Å; L125-E128 PolarHBondContact O-N 3.36Å; E126-E128 VanDerWaalsContact C-N 3.31Å; E126-E128 PolarHBondContact O-N 2.96Å; E128-L130 VanDerWaalsContact C-N 3.28Å; E128-L130 PolarHBondContact O-N 2.63Å; E128-S131 WeakPolarHBondContact O-CB 3.39Å; E128-S131 PolarHBondContact O-N 2.87Å; E128-S136 WeakPolarHBondContact OE1-CA 3.2Å; E128-S136 WeakPolarHBondContact OE1-CB 3.39Å; E128-S136 PolarHBondContact OE1-OG 3.46Å; E128-I137 PolarHBondContact OE1-N 2.89Å; E128-I137 VanDerWaalsContact OE1-N 3.07Å; E128-I137 PolarHBondContact OE2-N 3.35Å; E128-S138 WeakPolarHBondContact OE1-CB 3.32Å; E128-S138 PolarHBondContact OE1-N 2.83Å; E128-S138 PolarHBondContact OE1-OG 3.13Å; E128-S138 WeakPolarHBondContact OE2-CB 3.38Å; E128-S138 PolarHBondContact OE2-N 2.97Å; E128-W157 PolarHBondContact OE2-NE1 2.89Å; E128-F170 HydrophobicContact CB-CE1 4.36Å; E128-F170 HydrophobicContact CG-CE1 4.27Å
129K87.6Confident86.2Confident145 Ų14553.6 Ų53.663%0.6327%0.271SS*.Hα-helixtrans-60.3-36.2173.3-70.8175.9-157.7167.20113.1L125 E126L125-K129 WeakPolarHBondContact O-CG 3.45Å; L125-K129 PolarHBondContact O-N 3.02Å; E126-K129 PolarHBondContact O-N 3.16Å; E126-K129 WeakPolarHBondContact OE2-CD 3.41Å; E126-K129 WeakPolarHBondContact OE2-CE 3.41Å; E126-K129 IonicContact OE2-NZ 3.73Å; E126-K129 PolarHBondContact OE2-NZ 3.27Å
130L86.9Confident86.2Confident86 Ų8652.8 Ų52.845%0.4527%0.268SS..Hα-helixtrans-86.9-13.2-177.6-67.9171.3000112.8E126 A127 E128 V173 F209E126-L130 HydrophobicContact CG-CD1 4.4Å; E126-L130 WeakPolarHBondContact O-CG 3.34Å; E126-L130 PolarHBondContact O-N 3.41Å; A127-L130 PolarHBondContact O-N 2.94Å; E128-L130 VanDerWaalsContact C-N 3.28Å; E128-L130 PolarHBondContact O-N 2.63Å; L130-V173 HydrophobicContact CB-CG1 3.47Å; L130-V173 VanDerWaalsContact CB-CG1 3.47Å; L130-F209 HydrophobicContact CD1-CE2 3.66Å; L130-F209 HydrophobicContact CD1-CZ 3.96Å
131S84.2Confident86.1Confident17 Ų1752.8 Ų52.812%0.11927%0.268CS..SBendtrans-72.9154.9173.2-1740000112A127 E128 T133A127-S131 PolarHBondContact O-N 2.94Å; A127-S131 VanDerWaalsContact O-N 3.08Å; E128-S131 WeakPolarHBondContact O-CB 3.39Å; E128-S131 PolarHBondContact O-N 2.87Å; S131-T133 VanDerWaalsContact C-N 3.34Å; S131-T133 WeakPolarHBondContact OG-CG2 3.29Å; S131-T133 PolarHBondContact OG-N 3.38Å; S131-T133 PolarHBondContact OG-OG1 2.66Å
132K76.7Confident85.8Confident203 Ų20355.7 Ų55.788%0.88329%0.285SS*.  trans-90.81.9176.7-64.3173.6-175.5167.70113.1T134K132-T134 PolarHBondContact O-N 3.27Å
133T72.3Confident85.7Confident28 Ų2859 Ų5917%0.17231%0.305CS..  trans-70.3120.2-175.550.20000112S131 D135 Q166 F170S131-T133 VanDerWaalsContact C-N 3.34Å; S131-T133 WeakPolarHBondContact OG-CG2 3.29Å; S131-T133 PolarHBondContact OG-N 3.38Å; S131-T133 PolarHBondContact OG-OG1 2.66Å; T133-D135 PolarHBondContact O-N 3.06Å; T133-Q166 HydrophobicContact CG2-CG 4.31Å; T133-Q166 VanDerWaalsContact CG2-NE2 3.32Å; T133-F170 HydrophobicContact CG2-CZ 4.44Å
134T62.7Low85.3Confident130 Ų13060.5 Ų60.580%0.79831%0.312SS*.SBendtrans-63.4-38.5-179.644.30000113.5K132 S136K132-T134 PolarHBondContact O-N 3.27Å; T134-S136 PolarHBondContact O-N 3.24Å
135D76.3Confident84.9Confident118 Ų11866.4 Ų66.463%0.63135%0.349SS*.SBendtrans-89.792.5-178.9-66.8-33.7000110.9T133 I137 R164T133-D135 PolarHBondContact O-N 3.06Å; D135-I137 PolarHBondContact O-N 3.07Å; D135-R164 PolarHBondContact O-NH1 3.41Å
136S85.2Confident84.5Confident21 Ų2167.7 Ų67.715%0.14735%0.353CS..  trans-52.2124.8170.81650000111.7E128 T134 S138 K139E128-S136 WeakPolarHBondContact OE1-CA 3.2Å; E128-S136 WeakPolarHBondContact OE1-CB 3.39Å; E128-S136 PolarHBondContact OE1-OG 3.46Å; T134-S136 PolarHBondContact O-N 3.24Å; S136-S138 PolarHBondContact OG-OG 2.92Å; S136-K139 WeakPolarHBondContact OG-CG 3.27Å; S136-K139 PolarHBondContact OG-N 3.5Å
137I90.6Very high84.3Confident0 Ų066.5 Ų66.50%035%0.348CS..SBendtrans-77.7-38.7174.4-62.3173.2000109.6E128 D135 K139 T140 V141 W157 Q160 A161 F170E128-I137 PolarHBondContact OE1-N 2.89Å; E128-I137 VanDerWaalsContact OE1-N 3.07Å; E128-I137 PolarHBondContact OE2-N 3.35Å; D135-I137 PolarHBondContact O-N 3.07Å; I137-K139 VanDerWaalsContact C-N 3.3Å; I137-K139 PolarHBondContact O-N 2.83Å; I137-T140 WeakPolarHBondContact O-CA 3.42Å; I137-T140 VanDerWaalsContact O-CB 3.25Å; I137-T140 WeakPolarHBondContact O-CB 3.49Å; I137-T140 PolarHBondContact O-N 2.94Å; I137-V141 HydrophobicContact CG2-CG2 4.27Å; I137-V141 PolarHBondContact O-N 2.92Å; I137-W157 HydrophobicContact CB-CG 4.43Å; I137-W157 HydrophobicContact CD1-CZ2 4.4Å; I137-W157 HydrophobicContact CG2-CB 4.2Å; I137-W157 HydrophobicContact CG2-CD2 4.32Å; I137-W157 HydrophobicContact CG2-CG 3.71Å; I137-Q160 HydrophobicContact CD1-CB 4.43Å; I137-Q160 HydrophobicContact CG1-CB 4.45Å; I137-Q160 HydrophobicContact CG2-CB 3.52Å; I137-Q160 HydrophobicContact CG2-CG 4.19Å; I137-A161 HydrophobicContact CD1-CB 3.94Å; I137-F170 HydrophobicContact CD1-CE2 3.53Å; I137-F170 HydrophobicContact CD1-CZ 3.84Å
138S89.9Confident84Confident16 Ų1675.1 Ų75.111%0.11238%0.38CS..Hα-helixtrans-55.1-41.3178.759.40000113L125 E128 S136 T140 V141 D142L125-S138 VanDerWaalsContact CD2-CB 3.48Å; E128-S138 WeakPolarHBondContact OE1-CB 3.32Å; E128-S138 PolarHBondContact OE1-N 2.83Å; E128-S138 PolarHBondContact OE1-OG 3.13Å; E128-S138 WeakPolarHBondContact OE2-CB 3.38Å; E128-S138 PolarHBondContact OE2-N 2.97Å; S136-S138 PolarHBondContact OG-OG 2.92Å; S138-T140 VanDerWaalsContact C-N 3.26Å; S138-T140 PolarHBondContact O-N 2.92Å; S138-V141 CarbonylContact O-C 3.53Å; S138-V141 WeakPolarHBondContact O-CA 3.39Å; S138-V141 WeakPolarHBondContact O-CB 3.38Å; S138-V141 PolarHBondContact O-N 2.85Å; S138-D142 PolarHBondContact O-N 3.19Å
139K89Confident83.8Confident152 Ų15275.5 Ų75.566%0.66138%0.384SS*.Hα-helixtrans-57.3-35.1170.8-71.6175.9-162.4169.50113.6S136 I137S136-K139 WeakPolarHBondContact OG-CG 3.27Å; S136-K139 PolarHBondContact OG-N 3.5Å; I137-K139 VanDerWaalsContact C-N 3.3Å; I137-K139 PolarHBondContact O-N 2.83Å
140T88.6Confident83.8Confident39 Ų3969.2 Ų69.224%0.23936%0.36CS..Hα-helixtrans-72.1-35.3174.3-48.10000111.5I137 S138 T143 R164I137-T140 WeakPolarHBondContact O-CA 3.42Å; I137-T140 VanDerWaalsContact O-CB 3.25Å; I137-T140 WeakPolarHBondContact O-CB 3.49Å; I137-T140 PolarHBondContact O-N 2.94Å; S138-T140 VanDerWaalsContact C-N 3.26Å; S138-T140 PolarHBondContact O-N 2.92Å; T140-T143 PolarHBondContact O-OG1 2.99Å; T140-R164 PolarHBondContact OG1-NH2 3.29Å; T140-R164 VanDerWaalsContact OG1-NH2 3.07Å
141V88.6Confident83.9Confident1 Ų165.4 Ų65.41%0.00634%0.34CS..Hα-helixtrans-69.8-38.4175.6-177.40000111.2W121 I137 S138 T143 M144 R153 V156 W157W121-V141 HydrophobicContact CH2-CB 3.73Å; W121-V141 HydrophobicContact CH2-CG1 3.73Å; W121-V141 HydrophobicContact CH2-CG2 3.85Å; W121-V141 HydrophobicContact CZ2-CB 4.34Å; W121-V141 HydrophobicContact CZ2-CG1 4.19Å; W121-V141 HydrophobicContact CZ3-CG1 4.29Å; W121-V141 HydrophobicContact CZ3-CG2 4.31Å; I137-V141 HydrophobicContact CG2-CG2 4.27Å; I137-V141 PolarHBondContact O-N 2.92Å; S138-V141 CarbonylContact O-C 3.53Å; S138-V141 WeakPolarHBondContact O-CA 3.39Å; S138-V141 WeakPolarHBondContact O-CB 3.38Å; S138-V141 PolarHBondContact O-N 2.85Å; V141-T143 PolarHBondContact O-N 3.24Å; V141-M144 WeakPolarHBondContact O-CB 3.29Å; V141-M144 PolarHBondContact O-N 3.3Å; V141-R153 HydrophobicContact CG1-CB 3.72Å; V141-R153 HydrophobicContact CG1-CG 3.81Å; V141-V156 HydrophobicContact CG2-CB 4.45Å; V141-V156 HydrophobicContact CG2-CG1 3.94Å; V141-W157 HydrophobicContact CG2-CB 4.02Å
142D87.3Confident84.2Confident84 Ų8464.6 Ų64.645%0.44933%0.334SS..THydrogen-bonded Turntrans-68-15179.4-78-42.5000114S138 M144 R153S138-D142 PolarHBondContact O-N 3.19Å; D142-M144 VanDerWaalsContact C-N 3.34Å; D142-R153 IonicContact OD1-CZ 3.67Å; D142-R153 IonicContact OD1-NH1 3.72Å; D142-R153 PolarHBondContact OD1-NH1 3.24Å; D142-R153 IonicContact OD1-NH2 2.64Å
143T87.3Confident84.9Confident100 Ų10057.9 Ų57.961%0.61330%0.304SS*.THydrogen-bonded Turntrans-78.5-17.6168.165.50000113.2T140 V141 T145T140-T143 PolarHBondContact O-OG1 2.99Å; V141-T143 PolarHBondContact O-N 3.24Å; T143-T145 VanDerWaalsContact C-N 3.31Å; T143-T145 PolarHBondContact O-N 3.39Å
144M84.8Confident85.8Confident31 Ų3156.6 Ų56.615%0.15330%0.296CS..  trans-87.568.6-178.3-60.8-173.1178.200110.9V141 D142 E146 I147 V156 L243 L247V141-M144 WeakPolarHBondContact O-CB 3.29Å; V141-M144 PolarHBondContact O-N 3.3Å; D142-M144 VanDerWaalsContact C-N 3.34Å; M144-E146 PolarHBondContact O-N 3.08Å; M144-I147 HydrophobicContact CB-CD1 3.92Å; M144-I147 HydrophobicContact CB-CG1 4.32Å; M144-I147 PolarHBondContact O-N 3.25Å; M144-I147 HydrophobicContact SD-CD1 4.35Å; M144-V156 HydrophobicContact CE-CG1 4.19Å; M144-V156 HydrophobicContact SD-CB 4.4Å; M144-V156 HydrophobicContact SD-CG1 3.51Å; M144-V156 VanDerWaalsContact SD-CG1 3.51Å; M144-V156 HydrophobicContact SD-CG2 4.04Å; M144-L243 HydrophobicContact CE-CB 4.2Å; M144-L243 HydrophobicContact CE-CD1 4.31Å; M144-L247 HydrophobicContact CB-CD1 4.12Å; M144-L247 HydrophobicContact CG-CD1 4.01Å; M144-L247 HydrophobicContact SD-CD1 3.59Å; M144-L247 VanDerWaalsContact SD-CD1 3.59Å
145T82.5Confident87.3Confident125 Ų12550.4 Ų50.477%0.76726%0.258SS*.THydrogen-bonded Turntrans-61.7-13.7-173.3560000115.4T143 I147T143-T145 VanDerWaalsContact C-N 3.31Å; T143-T145 PolarHBondContact O-N 3.39Å; T145-I147 PolarHBondContact O-N 3.47Å
146E83.9Confident88Confident79 Ų7944.8 Ų44.837%0.36923%0.228SC..THydrogen-bonded Turntrans-65.6-26.4172.5-62.7-174.1-174.500112.9M144 N246 L247M144-E146 PolarHBondContact O-N 3.08Å; E146-N246 PolarHBondContact OE1-N 3.37Å; E146-N246 VanDerWaalsContact OE2-C 3.26Å; E146-N246 WeakPolarHBondContact OE2-CA 3.41Å; E146-N246 PolarHBondContact OE2-N 3.19Å; E146-L247 HydrophobicContact CB-CB 4.48Å; E146-L247 PolarHBondContact OE2-N 3.46Å
147I84.1Confident88.4Confident4 Ų443.8 Ų43.82%0.02122%0.221CC..  trans-91.2117.4-169.8-53.9178.7000111.1M144 T145 G152 R153 V156 L247 M250M144-I147 HydrophobicContact CB-CD1 3.92Å; M144-I147 HydrophobicContact CB-CG1 4.32Å; M144-I147 PolarHBondContact O-N 3.25Å; M144-I147 HydrophobicContact SD-CD1 4.35Å; T145-I147 PolarHBondContact O-N 3.47Å; I147-G152 VanDerWaalsContact CG2-C 3.41Å; I147-R153 HydrophobicContact CG2-CG 3.96Å; I147-V156 HydrophobicContact CD1-CB 4.34Å; I147-V156 HydrophobicContact CD1-CG2 3.39Å; I147-L247 HydrophobicContact CD1-CB 4.1Å; I147-L247 HydrophobicContact CD1-CD1 4.33Å; I147-L247 HydrophobicContact CG1-CB 3.97Å; I147-M250 HydrophobicContact CD1-CB 4.33Å; I147-M250 HydrophobicContact CD1-CG 4.34Å
148R84.7Confident88.6Confident181 Ų18143.8 Ų43.868%0.68322%0.221SC*.  trans-101.4-38.5-168.2-52.8-175.2-178.7-158.1-3.4112.4M112 D251M112-R148 HydrophobicContact CE-CB 4.4Å; M112-R148 VanDerWaalsContact CE-O 3.26Å; M112-R148 WeakPolarHBondContact CE-O 3.29Å; M112-R148 HydrophobicContact SD-CB 3.99Å; R148-D251 WeakPolarHBondContact CB-OD2 3.43Å; R148-D251 PolarHBondContact N-OD1 3.12Å; R148-D251 PolarHBondContact N-OD2 3.31Å
149T87.1Confident88.7Confident26 Ų2643.1 Ų43.116%0.1622%0.216CC..SBendtrans-87.6148.4-175.973.80000111.8L151 G152 R153 D251T149-L151 PolarHBondContact O-N 2.88Å; T149-G152 PolarHBondContact O-N 2.9Å; T149-G152 PolarHBondContact OG1-N 3.39Å; T149-R153 WeakPolarHBondContact O-CG 3.38Å; T149-R153 PolarHBondContact O-N 3.01Å; T149-D251 WeakPolarHBondContact CA-OD1 3.44Å; T149-D251 VanDerWaalsContact CB-OD1 3.25Å; T149-D251 WeakPolarHBondContact CB-OD1 3.34Å; T149-D251 HydrophobicContact CG2-CB 3.91Å; T149-D251 WeakPolarHBondContact CG2-OD1 3.3Å; T149-D251 PolarHBondContact N-OD1 3.41Å; T149-D251 PolarHBondContact OG1-OD1 3.21Å
150G87.3Confident88.8Confident13 Ų1337.3 Ų37.313%0.13419%0.191CC..Hα-helixtrans-64.6-26.5171.600000113.3N119 S154N119-G150 VanDerWaalsContact OD1-CA 3.3Å; N119-G150 WeakPolarHBondContact OD1-CA 3.17Å; G150-S154 WeakPolarHBondContact O-CB 3.49Å; G150-S154 PolarHBondContact O-N 3.42Å; G150-S154 PolarHBondContact O-OG 2.65Å
151L89.3Confident89Confident5 Ų535.4 Ų35.43%0.02618%0.179CC..Hα-helixtrans-67-46.4171.4-176.762000111.3P120 T149 R153 S154 R155 L254P120-L151 HydrophobicContact CG-CD1 4.35Å; T149-L151 PolarHBondContact O-N 2.88Å; L151-R153 PolarHBondContact O-N 2.97Å; L151-S154 CarbonylContact O-C 3.59Å; L151-S154 WeakPolarHBondContact O-CA 3.4Å; L151-S154 WeakPolarHBondContact O-CB 3.17Å; L151-S154 PolarHBondContact O-N 3.17Å; L151-S154 VanDerWaalsContact O-N 3.16Å; L151-R155 WeakPolarHBondContact O-CG 3.31Å; L151-R155 PolarHBondContact O-N 3.36Å; L151-L254 HydrophobicContact CD2-CB 4.04Å
152G89.3Confident89.2Confident0 Ų035.7 Ų35.70%018%0.181CC..Hα-helixtrans-61.5-41.6175.400000112.9I147 T149 S154 R155 V156 M250I147-G152 VanDerWaalsContact CG2-C 3.41Å; T149-G152 PolarHBondContact O-N 2.9Å; T149-G152 PolarHBondContact OG1-N 3.39Å; G152-S154 VanDerWaalsContact C-N 3.32Å; G152-S154 PolarHBondContact O-N 3.3Å; G152-R155 WeakPolarHBondContact O-CB 3.48Å; G152-R155 PolarHBondContact O-N 3.02Å; G152-R155 VanDerWaalsContact O-N 3.14Å; G152-V156 PolarHBondContact O-N 3.38Å; G152-M250 VanDerWaalsContact CA-O 3.25Å; G152-M250 WeakPolarHBondContact CA-O 3.34Å
153R91.7Very high89.4Confident63 Ų6334.8 Ų34.824%0.23818%0.175CC..Hα-helixtrans-58-45.3171.9-72.3170.6166.6-108.3-6.1111.4W121 V141 D142 I147 T149 L151 R155 V156 W157W121-R153 HydrophobicContact CD2-CB 3.72Å; W121-R153 HydrophobicContact CE3-CB 3.68Å; W121-R153 HydrophobicContact CG-CB 4.3Å; W121-R153 HydrophobicContact CH2-CB 4.24Å; W121-R153 HydrophobicContact CZ2-CB 4.26Å; W121-R153 HydrophobicContact CZ3-CB 3.97Å; V141-R153 HydrophobicContact CG1-CB 3.72Å; V141-R153 HydrophobicContact CG1-CG 3.81Å; D142-R153 IonicContact OD1-CZ 3.67Å; D142-R153 IonicContact OD1-NH1 3.72Å; D142-R153 PolarHBondContact OD1-NH1 3.24Å; D142-R153 IonicContact OD1-NH2 2.64Å; I147-R153 HydrophobicContact CG2-CG 3.96Å; T149-R153 WeakPolarHBondContact O-CG 3.38Å; T149-R153 PolarHBondContact O-N 3.01Å; L151-R153 PolarHBondContact O-N 2.97Å; R153-R155 VanDerWaalsContact C-N 3.31Å; R153-R155 PolarHBondContact O-N 3.42Å; R153-V156 PolarHBondContact O-N 3.34Å; R153-W157 WeakPolarHBondContact O-CB 3.28Å; R153-W157 PolarHBondContact O-N 3.5Å
154S92.8Very high89.6Confident1 Ų133.2 Ų33.21%0.00716%0.158CC..Hα-helixtrans-62.9-34.7176-56.40000112.7W121 G150 L151 G152 W157 L158W121-S154 WeakPolarHBondContact CA-OG 3.34Å; W121-S154 PolarHBondContact N-OG 2.89Å; G150-S154 WeakPolarHBondContact O-CB 3.49Å; G150-S154 PolarHBondContact O-N 3.42Å; G150-S154 PolarHBondContact O-OG 2.65Å; L151-S154 CarbonylContact O-C 3.59Å; L151-S154 WeakPolarHBondContact O-CA 3.4Å; L151-S154 WeakPolarHBondContact O-CB 3.17Å; L151-S154 PolarHBondContact O-N 3.17Å; L151-S154 VanDerWaalsContact O-N 3.16Å; G152-S154 VanDerWaalsContact C-N 3.32Å; G152-S154 PolarHBondContact O-N 3.3Å; S154-W157 WeakPolarHBondContact O-CB 3.44Å; S154-W157 PolarHBondContact O-N 3.16Å; S154-L158 WeakPolarHBondContact O-CB 3.47Å; S154-L158 VanDerWaalsContact O-CG 3.28Å; S154-L158 WeakPolarHBondContact O-CG 3.29Å; S154-L158 PolarHBondContact O-N 2.9Å
155R92.5Very high90Very high0 Ų034.9 Ų34.90%016%0.164CC..Hα-helixtrans-68.8-38.6178.3-79.5-178.3171.6143.54.2114.4E60 L151 G152 R153 R159 M250 K252 P253E60-R155 HydrophobicContact CG-CG 4.33Å; E60-R155 VanDerWaalsContact OE1-CG 3.3Å; E60-R155 WeakPolarHBondContact OE1-CG 3.09Å; E60-R155 IonicContact OE1-CZ 2.71Å; E60-R155 IonicContact OE1-NE 3.77Å; E60-R155 PolarHBondContact OE1-NE 2.77Å; E60-R155 IonicContact OE1-NH2 2.64Å; E60-R155 IonicContact OE2-CZ 3.23Å; E60-R155 VanDerWaalsContact OE2-CZ 3.25Å; E60-R155 IonicContact OE2-NE 2.82Å; E60-R155 PolarHBondContact OE2-NE 3.19Å; E60-R155 IonicContact OE2-NH2 2.77Å; E60-R155 PolarHBondContact OE2-NH2 3.43Å; L151-R155 WeakPolarHBondContact O-CG 3.31Å; L151-R155 PolarHBondContact O-N 3.36Å; G152-R155 WeakPolarHBondContact O-CB 3.48Å; G152-R155 PolarHBondContact O-N 3.02Å; G152-R155 VanDerWaalsContact O-N 3.14Å; R153-R155 VanDerWaalsContact C-N 3.31Å; R153-R155 PolarHBondContact O-N 3.42Å; R155-R159 WeakPolarHBondContact O-CD 3.32Å; R155-R159 WeakPolarHBondContact O-CG 3.43Å; R155-R159 PolarHBondContact O-N 2.89Å; R155-R159 PolarHBondContact O-NH1 3.32Å; R155-M250 HydrophobicContact CB-SD 3.53Å; R155-M250 VanDerWaalsContact CB-SD 3.53Å; R155-M250 WeakPolarHBondContact CD-O 3.38Å; R155-M250 PolarHBondContact NH1-O 3.5Å; R155-K252 PolarHBondContact NH1-O 3.28Å; R155-P253 PolarHBondContact NH2-O 3.1Å
156V91.6Very high90.4Very high0 Ų030.8 Ų30.80%014%0.136CC..Hα-helixtrans-68.4-43.2171.1165.60000110.3V141 M144 I147 G152 R153 L158 R159 Q160 L243 M250V141-V156 HydrophobicContact CG2-CB 4.45Å; V141-V156 HydrophobicContact CG2-CG1 3.94Å; M144-V156 HydrophobicContact CE-CG1 4.19Å; M144-V156 HydrophobicContact SD-CB 4.4Å; M144-V156 HydrophobicContact SD-CG1 3.51Å; M144-V156 VanDerWaalsContact SD-CG1 3.51Å; M144-V156 HydrophobicContact SD-CG2 4.04Å; I147-V156 HydrophobicContact CD1-CB 4.34Å; I147-V156 HydrophobicContact CD1-CG2 3.39Å; G152-V156 PolarHBondContact O-N 3.38Å; R153-V156 PolarHBondContact O-N 3.34Å; V156-L158 VanDerWaalsContact C-N 3.34Å; V156-L158 PolarHBondContact O-N 3.43Å; V156-R159 WeakPolarHBondContact O-CB 3.47Å; V156-R159 PolarHBondContact O-N 3.11Å; V156-R159 VanDerWaalsContact O-N 3.16Å; V156-Q160 PolarHBondContact O-N 3.2Å; V156-L243 HydrophobicContact CG1-CD1 4.09Å; V156-M250 HydrophobicContact CG2-CG 4.02Å; V156-M250 HydrophobicContact CG2-SD 4.05Å
157W94.1Very high90.8Very high0 Ų027.1 Ų27.10%012%0.119CC..Hα-helixtrans-58-44.9177.4-170.9104.6000111.9W121 L124 E128 I137 V141 R153 S154 R159 Q160 A161 L167 F170W121-W157 AromaticContact CH2-CD1 3.99Å; W121-W157 HydrophobicContact CZ3-CB 3.82Å; W121-W157 AromaticContact CZ3-CD1 3.69Å; W121-W157 AromaticContact CZ3-CG 3.96Å; W121-W157 HydrophobicContact CZ3-CG 3.96Å; L124-W157 HydrophobicContact CB-CD2 4.21Å; L124-W157 HydrophobicContact CB-CZ2 4.4Å; L124-W157 HydrophobicContact CD1-CB 4.32Å; L124-W157 HydrophobicContact CD1-CD2 3.92Å; L124-W157 HydrophobicContact CD1-CE3 3.75Å; L124-W157 HydrophobicContact CD1-CG 4.17Å; L124-W157 HydrophobicContact CD1-CZ3 4.38Å; L124-W157 HydrophobicContact CD2-CD2 4.44Å; L124-W157 HydrophobicContact CD2-CE3 3.92Å; L124-W157 HydrophobicContact CD2-CH2 3.96Å; L124-W157 HydrophobicContact CD2-CZ2 4.47Å; L124-W157 HydrophobicContact CD2-CZ3 3.68Å; L124-W157 HydrophobicContact CG-CD2 4.42Å; L124-W157 HydrophobicContact CG-CE3 4.28Å; L124-W157 HydrophobicContact CG-CZ3 4.49Å; E128-W157 PolarHBondContact OE2-NE1 2.89Å; I137-W157 HydrophobicContact CB-CG 4.43Å; I137-W157 HydrophobicContact CD1-CZ2 4.4Å; I137-W157 HydrophobicContact CG2-CB 4.2Å; I137-W157 HydrophobicContact CG2-CD2 4.32Å; I137-W157 HydrophobicContact CG2-CG 3.71Å; V141-W157 HydrophobicContact CG2-CB 4.02Å; R153-W157 WeakPolarHBondContact O-CB 3.28Å; R153-W157 PolarHBondContact O-N 3.5Å; S154-W157 WeakPolarHBondContact O-CB 3.44Å; S154-W157 PolarHBondContact O-N 3.16Å; W157-R159 VanDerWaalsContact C-N 3.31Å; W157-R159 PolarHBondContact O-N 2.88Å; W157-Q160 PolarHBondContact O-N 3.48Å; W157-A161 HydrophobicContact CE3-CB 4.02Å; W157-A161 HydrophobicContact CH2-CB 4.22Å; W157-A161 HydrophobicContact CZ3-CB 3.75Å; W157-A161 WeakPolarHBondContact O-CB 3.34Å; W157-A161 PolarHBondContact O-N 3.02Å; W157-L167 HydrophobicContact CZ3-CD1 4.35Å; W157-F170 HydrophobicContact CH2-CB 3.63Å; W157-F170 HydrophobicContact CH2-CD1 4.09Å; W157-F170 AromaticContact CH2-CD2 3.33Å; W157-F170 HydrophobicContact CH2-CD2 3.33Å; W157-F170 AromaticContact CH2-CE2 3.93Å; W157-F170 HydrophobicContact CH2-CE2 3.93Å; W157-F170 AromaticContact CH2-CG 3.44Å; W157-F170 HydrophobicContact CH2-CG 3.44Å; W157-F170 VanDerWaalsContact CH2-CG 3.44Å; W157-F170 HydrophobicContact CZ2-CB 4.36Å; W157-F170 AromaticContact CZ2-CD1 3.98Å; W157-F170 HydrophobicContact CZ2-CD1 3.98Å; W157-F170 AromaticContact CZ2-CD2 3.72Å; W157-F170 HydrophobicContact CZ2-CD2 3.72Å; W157-F170 HydrophobicContact CZ2-CE1 4.13Å; W157-F170 AromaticContact CZ2-CE2 3.88Å; W157-F170 HydrophobicContact CZ2-CE2 3.88Å; W157-F170 AromaticContact CZ2-CG 3.78Å; W157-F170 HydrophobicContact CZ2-CG 3.78Å; W157-F170 HydrophobicContact CZ2-CZ 4.09Å; W157-F170 HydrophobicContact CZ3-CD2 4.27Å
158L93.9Very high91.2Very high0 Ų027.1 Ų27.10%012%0.12CC..Hα-helixtrans-59-40.4176-78.7175.2000112.5L56 V59 E60 L63 S154 V156 A161 L162 L167L56-L158 HydrophobicContact CD2-CB 4.21Å; V59-L158 HydrophobicContact CG1-CD1 4.05Å; V59-L158 HydrophobicContact CG1-CD2 3.56Å; V59-L158 HydrophobicContact CG1-CG 4.46Å; E60-L158 HydrophobicContact CG-CD1 3.87Å; L63-L158 HydrophobicContact CD1-CD1 4.18Å; L63-L158 HydrophobicContact CD1-CD2 4.01Å; L63-L158 HydrophobicContact CD1-CG 4.39Å; S154-L158 WeakPolarHBondContact O-CB 3.47Å; S154-L158 VanDerWaalsContact O-CG 3.28Å; S154-L158 WeakPolarHBondContact O-CG 3.29Å; S154-L158 PolarHBondContact O-N 2.9Å; V156-L158 VanDerWaalsContact C-N 3.34Å; V156-L158 PolarHBondContact O-N 3.43Å; L158-A161 PolarHBondContact O-N 3.37Å; L158-L162 WeakPolarHBondContact O-CG 3.27Å; L158-L162 PolarHBondContact O-N 3.18Å; L158-L167 HydrophobicContact CD2-CD1 3.44Å; L158-L167 VanDerWaalsContact CD2-CD1 3.44Å
159R92.7Very high91.5Very high2 Ų222.7 Ų22.71%0.00811%0.107CC..Hα-helixtrans-67.7-44.4177-72167.3172.979.1-10.1111.6E33 L56 R155 V156 W157 A161 L162 M163 F241E33-R159 VanDerWaalsContact CD-NH2 3.33Å; E33-R159 IonicContact OE1-CZ 3.04Å; E33-R159 IonicContact OE1-NE 2.63Å; E33-R159 PolarHBondContact OE1-NE 3.37Å; E33-R159 IonicContact OE1-NH2 2.63Å; E33-R159 PolarHBondContact OE1-NH2 2.73Å; E33-R159 VanDerWaalsContact OE1-NH2 3.11Å; E33-R159 IonicContact OE2-CZ 3.35Å; E33-R159 IonicContact OE2-NE 2.69Å; E33-R159 PolarHBondContact OE2-NE 3.32Å; E33-R159 IonicContact OE2-NH2 2.74Å; E33-R159 PolarHBondContact OE2-NH2 2.96Å; L56-R159 HydrophobicContact CD1-CG 4.33Å; L56-R159 HydrophobicContact CD2-CG 4.12Å; R155-R159 WeakPolarHBondContact O-CD 3.32Å; R155-R159 WeakPolarHBondContact O-CG 3.43Å; R155-R159 PolarHBondContact O-N 2.89Å; R155-R159 PolarHBondContact O-NH1 3.32Å; V156-R159 WeakPolarHBondContact O-CB 3.47Å; V156-R159 PolarHBondContact O-N 3.11Å; V156-R159 VanDerWaalsContact O-N 3.16Å; W157-R159 VanDerWaalsContact C-N 3.31Å; W157-R159 PolarHBondContact O-N 2.88Å; R159-A161 PolarHBondContact O-N 2.96Å; R159-L162 PolarHBondContact O-N 2.92Å; R159-M163 VanDerWaalsContact O-CG 3.27Å; R159-M163 WeakPolarHBondContact O-CG 3.28Å; R159-M163 PolarHBondContact O-N 3.21Å; R159-F241 HydrophobicContact CB-CB 4.39Å; R159-F241 HydrophobicContact CB-CD1 4.47Å; R159-F241 HydrophobicContact CB-CD2 3.63Å; R159-F241 HydrophobicContact CB-CE2 3.95Å; R159-F241 HydrophobicContact CB-CG 3.93Å; R159-F241 HydrophobicContact CG-CD1 3.94Å; R159-F241 HydrophobicContact CG-CD2 3.92Å; R159-F241 HydrophobicContact CG-CE1 3.99Å; R159-F241 HydrophobicContact CG-CE2 3.99Å; R159-F241 HydrophobicContact CG-CG 3.91Å; R159-F241 HydrophobicContact CG-CZ 4.03Å
160Q91.4Very high91.8Very high29 Ų2921.5 Ų21.514%0.13610%0.099CC..Hα-helixtrans-61.4-41.6172.6-77.7-76-25.200112.1I137 V156 W157 L162 M163 R164I137-Q160 HydrophobicContact CD1-CB 4.43Å; I137-Q160 HydrophobicContact CG1-CB 4.45Å; I137-Q160 HydrophobicContact CG2-CB 3.52Å; I137-Q160 HydrophobicContact CG2-CG 4.19Å; V156-Q160 PolarHBondContact O-N 3.2Å; W157-Q160 PolarHBondContact O-N 3.48Å; Q160-L162 VanDerWaalsContact C-N 3.31Å; Q160-L162 PolarHBondContact O-N 3.42Å; Q160-M163 PolarHBondContact O-N 2.8Å; Q160-R164 WeakPolarHBondContact O-CB 3.48Å; Q160-R164 VanDerWaalsContact O-CG 3.29Å; Q160-R164 WeakPolarHBondContact O-CG 3.43Å; Q160-R164 PolarHBondContact O-N 2.86Å; Q160-R164 VanDerWaalsContact OE1-NE 3.13Å
161A92.6Very high92.1Very high0 Ų021 Ų210%09%0.093CC..Hα-helixtrans-66.2-30.7177.200000112.8I137 W157 L158 R159 K165 Q166 L167 F170I137-A161 HydrophobicContact CD1-CB 3.94Å; W157-A161 HydrophobicContact CE3-CB 4.02Å; W157-A161 HydrophobicContact CH2-CB 4.22Å; W157-A161 HydrophobicContact CZ3-CB 3.75Å; W157-A161 WeakPolarHBondContact O-CB 3.34Å; W157-A161 PolarHBondContact O-N 3.02Å; L158-A161 PolarHBondContact O-N 3.37Å; R159-A161 PolarHBondContact O-N 2.96Å; A161-K165 PolarHBondContact O-N 3.09Å; A161-Q166 PolarHBondContact O-N 2.94Å; A161-L167 HydrophobicContact CB-CB 4.15Å; A161-L167 HydrophobicContact CB-CD1 4.27Å; A161-L167 PolarHBondContact O-N 3.09Å; A161-L167 VanDerWaalsContact O-N 3.09Å; A161-F170 HydrophobicContact CB-CD2 4.24Å; A161-F170 HydrophobicContact CB-CE2 4.3Å
162L93Very high92.3Very high6 Ų624.2 Ų24.23%0.03111%0.108CC..Hα-helixtrans-71.6-47.5169.4-75.7172.3000112L56 L158 R159 Q160 R164 K165 L167 L234 F239 F241L56-L162 HydrophobicContact CD2-CD1 3.79Å; L56-L162 HydrophobicContact CG-CD1 4.5Å; L158-L162 WeakPolarHBondContact O-CG 3.27Å; L158-L162 PolarHBondContact O-N 3.18Å; R159-L162 PolarHBondContact O-N 2.92Å; Q160-L162 VanDerWaalsContact C-N 3.31Å; Q160-L162 PolarHBondContact O-N 3.42Å; L162-R164 PolarHBondContact O-N 3.29Å; L162-K165 PolarHBondContact O-N 2.82Å; L162-L167 HydrophobicContact CD2-CB 4.17Å; L162-L167 HydrophobicContact CD2-CD2 3.55Å; L162-L167 HydrophobicContact CG-CD2 3.93Å; L162-L234 HydrophobicContact CD2-CD1 4.06Å; L162-F239 HydrophobicContact CB-CB 4.13Å; L162-F239 HydrophobicContact CB-CD2 3.88Å; L162-F239 HydrophobicContact CB-CE2 4.46Å; L162-F239 HydrophobicContact CB-CG 3.96Å; L162-F239 HydrophobicContact CD2-CD2 4.1Å; L162-F239 HydrophobicContact CD2-CE2 3.83Å; L162-F239 HydrophobicContact CD2-CZ 4.19Å; L162-F239 HydrophobicContact CG-CD2 4.49Å; L162-F241 HydrophobicContact CB-CE2 4Å; L162-F241 HydrophobicContact CD1-CE2 4.07Å; L162-F241 HydrophobicContact CD1-CZ 3.98Å
163M91.8Very high92.3Very high65 Ų6525.5 Ų25.532%0.3212%0.116SC..Hα-helixtrans-59-36.3177.1-67.316974.800112.4R159 Q160 F239 F241R159-M163 VanDerWaalsContact O-CG 3.27Å; R159-M163 WeakPolarHBondContact O-CG 3.28Å; R159-M163 PolarHBondContact O-N 3.21Å; Q160-M163 PolarHBondContact O-N 2.8Å; M163-F239 HydrophobicContact CG-CB 4.45Å; M163-F239 WeakPolarHBondContact CG-O 3.44Å; M163-F241 HydrophobicContact CG-CD2 3.75Å; M163-F241 HydrophobicContact CG-CE2 4.41Å; M163-F241 HydrophobicContact SD-CB 4.06Å; M163-F241 HydrophobicContact SD-CD2 3.96Å
164R91Very high92.3Very high68 Ų6822.5 Ų22.526%0.25711%0.105SC..THydrogen-bonded Turntrans-86-1.1177.2-61.8177.5-162.9-1644.4113.8D135 T140 Q160 L162 Q166D135-R164 PolarHBondContact O-NH1 3.41Å; T140-R164 PolarHBondContact OG1-NH2 3.29Å; T140-R164 VanDerWaalsContact OG1-NH2 3.07Å; Q160-R164 WeakPolarHBondContact O-CB 3.48Å; Q160-R164 VanDerWaalsContact O-CG 3.29Å; Q160-R164 WeakPolarHBondContact O-CG 3.43Å; Q160-R164 PolarHBondContact O-N 2.86Å; Q160-R164 VanDerWaalsContact OE1-NE 3.13Å; L162-R164 PolarHBondContact O-N 3.29Å; R164-Q166 VanDerWaalsContact C-N 3.25Å; R164-Q166 HydrophobicContact CB-CB 4.48Å; R164-Q166 HydrophobicContact CB-CG 4.23Å; R164-Q166 VanDerWaalsContact CB-OE1 3.27Å; R164-Q166 WeakPolarHBondContact O-CG 3.34Å; R164-Q166 PolarHBondContact O-N 2.96Å
165K92.4Very high92.2Very high65 Ų6522.7 Ų22.728%0.28311%0.106SC..THydrogen-bonded Turntrans56.235.5-177.4-58.6-179.8170.5-156.90114A161 L162 N235 I237 D238A161-K165 PolarHBondContact O-N 3.09Å; L162-K165 PolarHBondContact O-N 2.82Å; K165-N235 HydrophobicContact CB-CB 4.23Å; K165-N235 VanDerWaalsContact CD-O 3.27Å; K165-N235 WeakPolarHBondContact CD-O 3.32Å; K165-N235 WeakPolarHBondContact CE-O 3.45Å; K165-N235 PolarHBondContact NZ-O 3.3Å; K165-N235 PolarHBondContact O-ND2 2.9Å; K165-N235 PolarHBondContact O-OD1 3.34Å; K165-N235 VanDerWaalsContact O-OD1 3.11Å; K165-I237 VanDerWaalsContact CE-O 3.23Å; K165-I237 WeakPolarHBondContact CE-O 3.48Å; K165-D238 WeakPolarHBondContact CE-OD1 3.49Å; K165-D238 IonicContact NZ-OD1 3.5Å; K165-D238 PolarHBondContact NZ-OD1 3.01Å
166Q91.6Very high92.1Very high39 Ų3926.1 Ų26.118%0.18212%0.124CC..  trans-113.6-7-175.3-75.3162.8-14.600113.4T133 A161 R164 G168 E169 F170T133-Q166 HydrophobicContact CG2-CG 4.31Å; T133-Q166 VanDerWaalsContact CG2-NE2 3.32Å; A161-Q166 PolarHBondContact O-N 2.94Å; R164-Q166 VanDerWaalsContact C-N 3.25Å; R164-Q166 HydrophobicContact CB-CB 4.48Å; R164-Q166 HydrophobicContact CB-CG 4.23Å; R164-Q166 VanDerWaalsContact CB-OE1 3.27Å; R164-Q166 WeakPolarHBondContact O-CG 3.34Å; R164-Q166 PolarHBondContact O-N 2.96Å; Q166-G168 VanDerWaalsContact C-N 3.32Å; Q166-G168 PolarHBondContact O-N 3.33Å; Q166-E169 WeakPolarHBondContact O-CA 3.28Å; Q166-E169 WeakPolarHBondContact O-CB 3.33Å; Q166-E169 PolarHBondContact O-N 3.04Å; Q166-F170 HydrophobicContact CB-CD2 3.85Å; Q166-F170 HydrophobicContact CB-CE2 3.45Å; Q166-F170 VanDerWaalsContact CB-CE2 3.45Å; Q166-F170 HydrophobicContact CB-CZ 4.33Å; Q166-F170 HydrophobicContact CG-CE2 4.43Å; Q166-F170 WeakPolarHBondContact O-CD2 3.3Å; Q166-F170 PolarHBondContact O-N 2.64Å
167L92.5Very high91.9Very high3 Ų327.5 Ų27.52%0.01613%0.134CC..Hα-helixtrans-54.1-44.6-176.4-179.263.8000113.2V59 W157 L158 A161 L162 F171 L231V59-L167 HydrophobicContact CG1-CD1 4.49Å; V59-L167 HydrophobicContact CG1-CD2 4.4Å; W157-L167 HydrophobicContact CZ3-CD1 4.35Å; L158-L167 HydrophobicContact CD2-CD1 3.44Å; L158-L167 VanDerWaalsContact CD2-CD1 3.44Å; A161-L167 HydrophobicContact CB-CB 4.15Å; A161-L167 HydrophobicContact CB-CD1 4.27Å; A161-L167 PolarHBondContact O-N 3.09Å; A161-L167 VanDerWaalsContact O-N 3.09Å; L162-L167 HydrophobicContact CD2-CB 4.17Å; L162-L167 HydrophobicContact CD2-CD2 3.55Å; L162-L167 HydrophobicContact CG-CD2 3.93Å; L167-F171 HydrophobicContact CD1-CD2 4.02Å; L167-F171 HydrophobicContact CD1-CE2 3.75Å; L167-F171 HydrophobicContact CG-CE2 4.49Å; L167-F171 WeakPolarHBondContact O-CD2 3.44Å; L167-F171 PolarHBondContact O-N 2.84Å; L167-L231 HydrophobicContact CD2-CD1 4.3Å; L167-L231 HydrophobicContact CD2-CD2 4.17Å; L167-L231 HydrophobicContact CG-CD1 4.3Å
168G91.9Very high91.4Very high3 Ų327.9 Ų27.93%0.03114%0.135CC..Hα-helixtrans-66.3-35175.800000113.4Q166 F171 Q172Q166-G168 VanDerWaalsContact C-N 3.32Å; Q166-G168 PolarHBondContact O-N 3.33Å; G168-F171 PolarHBondContact O-N 3.22Å; G168-Q172 WeakPolarHBondContact O-CB 3.39Å; G168-Q172 PolarHBondContact O-N 2.98Å
169E91.7Very high90.9Very high89 Ų8931.7 Ų31.742%0.41616%0.156SC..Hα-helixtrans-66.9-46.3178.6-174.8178.7-171.400111.3Q166 F171 Q172 V173Q166-E169 WeakPolarHBondContact O-CA 3.28Å; Q166-E169 WeakPolarHBondContact O-CB 3.33Å; Q166-E169 PolarHBondContact O-N 3.04Å; E169-F171 VanDerWaalsContact C-N 3.33Å; E169-F171 PolarHBondContact O-N 2.96Å; E169-Q172 WeakPolarHBondContact O-CA 3.49Å; E169-Q172 WeakPolarHBondContact O-CB 3.48Å; E169-Q172 PolarHBondContact O-N 2.69Å; E169-Q172 VanDerWaalsContact O-N 3.08Å; E169-V173 WeakPolarHBondContact O-CG2 3.37Å; E169-V173 PolarHBondContact O-N 2.94Å
170F92.9Very high90.3Very high1 Ų134.7 Ų34.70%0.00418%0.177CC..Hα-helixtrans-64.4-35.9176.5-67.4-68.3000112.8E128 T133 I137 W157 A161 Q166 Q172 V173 I174E128-F170 HydrophobicContact CB-CE1 4.36Å; E128-F170 HydrophobicContact CG-CE1 4.27Å; T133-F170 HydrophobicContact CG2-CZ 4.44Å; I137-F170 HydrophobicContact CD1-CE2 3.53Å; I137-F170 HydrophobicContact CD1-CZ 3.84Å; W157-F170 HydrophobicContact CH2-CB 3.63Å; W157-F170 HydrophobicContact CH2-CD1 4.09Å; W157-F170 AromaticContact CH2-CD2 3.33Å; W157-F170 HydrophobicContact CH2-CD2 3.33Å; W157-F170 AromaticContact CH2-CE2 3.93Å; W157-F170 HydrophobicContact CH2-CE2 3.93Å; W157-F170 AromaticContact CH2-CG 3.44Å; W157-F170 HydrophobicContact CH2-CG 3.44Å; W157-F170 VanDerWaalsContact CH2-CG 3.44Å; W157-F170 HydrophobicContact CZ2-CB 4.36Å; W157-F170 AromaticContact CZ2-CD1 3.98Å; W157-F170 HydrophobicContact CZ2-CD1 3.98Å; W157-F170 AromaticContact CZ2-CD2 3.72Å; W157-F170 HydrophobicContact CZ2-CD2 3.72Å; W157-F170 HydrophobicContact CZ2-CE1 4.13Å; W157-F170 AromaticContact CZ2-CE2 3.88Å; W157-F170 HydrophobicContact CZ2-CE2 3.88Å; W157-F170 AromaticContact CZ2-CG 3.78Å; W157-F170 HydrophobicContact CZ2-CG 3.78Å; W157-F170 HydrophobicContact CZ2-CZ 4.09Å; W157-F170 HydrophobicContact CZ3-CD2 4.27Å; A161-F170 HydrophobicContact CB-CD2 4.24Å; A161-F170 HydrophobicContact CB-CE2 4.3Å; Q166-F170 HydrophobicContact CB-CD2 3.85Å; Q166-F170 HydrophobicContact CB-CE2 3.45Å; Q166-F170 VanDerWaalsContact CB-CE2 3.45Å; Q166-F170 HydrophobicContact CB-CZ 4.33Å; Q166-F170 HydrophobicContact CG-CE2 4.43Å; Q166-F170 WeakPolarHBondContact O-CD2 3.3Å; Q166-F170 PolarHBondContact O-N 2.64Å; F170-Q172 VanDerWaalsContact C-N 3.34Å; F170-V173 PolarHBondContact O-N 3.4Å; F170-I174 WeakPolarHBondContact O-CG1 3.4Å; F170-I174 PolarHBondContact O-N 3.47Å
171F93.8Very high89.1Confident1 Ų135.1 Ų35.10%0.00418%0.184CC..Hα-helixtrans-65-38.8171.6-90-117000111.3V59 L63 L167 G168 E169 I174 I175 L219 V227 T228 L231V59-F171 HydrophobicContact CG1-CE2 4.27Å; V59-F171 HydrophobicContact CG1-CZ 3.92Å; L63-F171 HydrophobicContact CD1-CZ 4.41Å; L63-F171 HydrophobicContact CD2-CE2 4.07Å; L63-F171 HydrophobicContact CD2-CZ 3.82Å; L63-F171 HydrophobicContact CG-CE2 4.34Å; L63-F171 HydrophobicContact CG-CZ 3.83Å; L167-F171 HydrophobicContact CD1-CD2 4.02Å; L167-F171 HydrophobicContact CD1-CE2 3.75Å; L167-F171 HydrophobicContact CG-CE2 4.49Å; L167-F171 WeakPolarHBondContact O-CD2 3.44Å; L167-F171 PolarHBondContact O-N 2.84Å; G168-F171 PolarHBondContact O-N 3.22Å; E169-F171 VanDerWaalsContact C-N 3.33Å; E169-F171 PolarHBondContact O-N 2.96Å; F171-I174 WeakPolarHBondContact O-CB 3.49Å; F171-I174 PolarHBondContact O-N 3.48Å; F171-I175 WeakPolarHBondContact O-CG1 3.39Å; F171-I175 PolarHBondContact O-N 3.5Å; F171-I175 VanDerWaalsContact O-N 3.08Å; F171-L219 HydrophobicContact CD1-CD2 3.88Å; F171-L219 HydrophobicContact CE1-CD2 3.87Å; F171-V227 HydrophobicContact CD1-CG1 4.47Å; F171-V227 HydrophobicContact CE1-CG1 4.25Å; F171-T228 HydrophobicContact CB-CG2 3.84Å; F171-L231 HydrophobicContact CD1-CD1 3.73Å; F171-L231 HydrophobicContact CD2-CD1 4.04Å; F171-L231 HydrophobicContact CE1-CD1 3.66Å; F171-L231 HydrophobicContact CE2-CD1 3.99Å; F171-L231 HydrophobicContact CG-CD1 3.92Å; F171-L231 HydrophobicContact CZ-CD1 3.79Å
172Q92.3Very high87.5Confident73 Ų7340.2 Ų40.234%0.34121%0.211SC..Hα-helixtrans-63.5-41.1174.6-167.364.753.900111.8G168 E169 F170 I174 I175 D176 T228G168-Q172 WeakPolarHBondContact O-CB 3.39Å; G168-Q172 PolarHBondContact O-N 2.98Å; E169-Q172 WeakPolarHBondContact O-CA 3.49Å; E169-Q172 WeakPolarHBondContact O-CB 3.48Å; E169-Q172 PolarHBondContact O-N 2.69Å; E169-Q172 VanDerWaalsContact O-N 3.08Å; F170-Q172 VanDerWaalsContact C-N 3.34Å; Q172-I174 VanDerWaalsContact C-N 3.3Å; Q172-I174 PolarHBondContact O-N 3.42Å; Q172-I175 PolarHBondContact O-N 3.37Å; Q172-D176 PolarHBondContact NE2-OD1 3.19Å; Q172-D176 WeakPolarHBondContact O-CB 3.41Å; Q172-D176 VanDerWaalsContact O-CG 3.24Å; Q172-D176 PolarHBondContact O-N 3.32Å; Q172-T228 HydrophobicContact CB-CG2 3.89Å
173V91Very high85.9Confident27 Ų2743.3 Ų43.316%0.16423%0.233CC..Hα-helixtrans-58.5-39.3174.3170.40000112.2L130 E169 F170 S177L130-V173 HydrophobicContact CB-CG1 3.47Å; L130-V173 VanDerWaalsContact CB-CG1 3.47Å; E169-V173 WeakPolarHBondContact O-CG2 3.37Å; E169-V173 PolarHBondContact O-N 2.94Å; F170-V173 PolarHBondContact O-N 3.4Å; V173-S177 WeakPolarHBondContact O-CB 3.41Å; V173-S177 PolarHBondContact O-N 3.37Å; V173-S177 VanDerWaalsContact O-N 3.11Å
174I91.1Very high83.8Confident1 Ų147.4 Ų47.41%0.00526%0.256CS..Hα-helixtrans-62.9-51.7174.1-64.4166.2000110.2V123 A127 F170 F171 Q172 D176 S177 I178 F209 L219V123-I174 HydrophobicContact CG1-CD1 4.07Å; A127-I174 HydrophobicContact CB-CD1 3.96Å; A127-I174 HydrophobicContact CB-CG1 3.67Å; F170-I174 WeakPolarHBondContact O-CG1 3.4Å; F170-I174 PolarHBondContact O-N 3.47Å; F171-I174 WeakPolarHBondContact O-CB 3.49Å; F171-I174 PolarHBondContact O-N 3.48Å; Q172-I174 VanDerWaalsContact C-N 3.3Å; Q172-I174 PolarHBondContact O-N 3.42Å; I174-D176 PolarHBondContact O-N 3.2Å; I174-S177 PolarHBondContact O-N 3.04Å; I174-I178 HydrophobicContact CG2-CD1 3.75Å; I174-I178 VanDerWaalsContact O-CD1 3.31Å; I174-I178 WeakPolarHBondContact O-CD1 3.49Å; I174-I178 VanDerWaalsContact O-CG1 3.28Å; I174-I178 WeakPolarHBondContact O-CG1 3.44Å; I174-I178 PolarHBondContact O-N 3.15Å; I174-I178 VanDerWaalsContact O-N 3.11Å; I174-F209 HydrophobicContact CB-CE1 4.49Å; I174-F209 HydrophobicContact CB-CZ 4.44Å; I174-F209 HydrophobicContact CG1-CD1 4.28Å; I174-F209 HydrophobicContact CG1-CE1 3.79Å; I174-F209 HydrophobicContact CG1-CE2 4.41Å; I174-F209 HydrophobicContact CG1-CZ 3.86Å; I174-F209 HydrophobicContact CG2-CB 4.49Å; I174-F209 HydrophobicContact CG2-CD1 4.02Å; I174-F209 HydrophobicContact CG2-CD2 4.3Å; I174-F209 HydrophobicContact CG2-CE1 4.36Å; I174-F209 HydrophobicContact CG2-CG 4Å; I174-L219 HydrophobicContact CD1-CD1 4.49Å; I174-L219 HydrophobicContact CG2-CD1 4.35Å
175I91.2Very high81.4Confident4 Ų447 Ų472%0.02127%0.273CS..Hα-helixtrans-61.5-43.4-179.2-66.3-65.1000111.8F171 Q172 S177 I178 N179 L219 V225 T228F171-I175 WeakPolarHBondContact O-CG1 3.39Å; F171-I175 PolarHBondContact O-N 3.5Å; F171-I175 VanDerWaalsContact O-N 3.08Å; Q172-I175 PolarHBondContact O-N 3.37Å; I175-S177 PolarHBondContact O-N 3.02Å; I175-I178 PolarHBondContact O-N 2.97Å; I175-N179 WeakPolarHBondContact CG2-ND2 3.3Å; I175-N179 WeakPolarHBondContact O-CB 3.33Å; I175-N179 VanDerWaalsContact O-CG 3.27Å; I175-N179 PolarHBondContact O-N 2.88Å; I175-N179 PolarHBondContact O-ND2 3.4Å; I175-L219 WeakPolarHBondContact CD1-O 3.48Å; I175-V225 HydrophobicContact CD1-CG2 4.32Å; I175-V225 HydrophobicContact CG2-CG2 4.09Å; I175-T228 WeakPolarHBondContact CG1-OG1 3.37Å
176D90Very high78.6Confident73 Ų7349.1 Ų49.139%0.3930%0.296SS..Hα-helixtrans-67.6-36.6-179.2-71.4-9.6000111.9Q172 I174 N179 S180Q172-D176 PolarHBondContact NE2-OD1 3.19Å; Q172-D176 WeakPolarHBondContact O-CB 3.41Å; Q172-D176 VanDerWaalsContact O-CG 3.24Å; Q172-D176 PolarHBondContact O-N 3.32Å; I174-D176 PolarHBondContact O-N 3.2Å; D176-N179 PolarHBondContact O-N 3.24Å; D176-S180 VanDerWaalsContact O-CB 3.25Å; D176-S180 WeakPolarHBondContact O-CB 3.48Å; D176-S180 PolarHBondContact O-N 3.37Å; D176-S180 PolarHBondContact O-OG 3.26Å
177S86.9Confident75.9Confident28 Ų2855.2 Ų55.220%0.19633%0.329CS..Hα-helixtrans-64.8-43.2173.5-177.50000112V173 I174 I175 S180 S181 F209V173-S177 WeakPolarHBondContact O-CB 3.41Å; V173-S177 PolarHBondContact O-N 3.37Å; V173-S177 VanDerWaalsContact O-N 3.11Å; I174-S177 PolarHBondContact O-N 3.04Å; I175-S177 PolarHBondContact O-N 3.02Å; S177-S180 PolarHBondContact O-N 2.75Å; S177-S181 PolarHBondContact O-N 3.11Å; S177-S181 VanDerWaalsContact O-N 3.15Å; S177-S181 PolarHBondContact O-OG 3.33Å; S177-F209 WeakPolarHBondContact OG-CD2 3.32Å
178I84.8Confident73Confident8 Ų864.5 Ų64.54%0.04137%0.373CS..Hα-helixtrans-61.9-48.8174.9-65.3156.8000110.3I174 I175 S180 S181 N182 F209 L219 L220I174-I178 HydrophobicContact CG2-CD1 3.75Å; I174-I178 VanDerWaalsContact O-CD1 3.31Å; I174-I178 WeakPolarHBondContact O-CD1 3.49Å; I174-I178 VanDerWaalsContact O-CG1 3.28Å; I174-I178 WeakPolarHBondContact O-CG1 3.44Å; I174-I178 PolarHBondContact O-N 3.15Å; I174-I178 VanDerWaalsContact O-N 3.11Å; I175-I178 PolarHBondContact O-N 2.97Å; I178-S180 PolarHBondContact O-N 2.95Å; I178-S181 PolarHBondContact O-N 3.04Å; I178-S181 PolarHBondContact O-OG 3.07Å; I178-N182 PolarHBondContact O-N 2.89Å; I178-N182 PolarHBondContact O-ND2 3.23Å; I178-F209 HydrophobicContact CD1-CB 4.2Å; I178-F209 HydrophobicContact CG1-CB 3.9Å; I178-L219 WeakPolarHBondContact CD1-O 3.48Å; I178-L220 HydrophobicContact CD1-CD2 3.53Å; I178-L220 HydrophobicContact CG1-CD2 3.89Å; I178-L220 HydrophobicContact CG2-CD2 4.2Å
179N83.2Confident70.3Confident80 Ų8067.7 Ų67.743%0.42841%0.405SS..Hα-helixtrans-62.6-41.3179.2-72-27.2000112.4I175 D176 S181 N182 S183I175-N179 WeakPolarHBondContact CG2-ND2 3.3Å; I175-N179 WeakPolarHBondContact O-CB 3.33Å; I175-N179 VanDerWaalsContact O-CG 3.27Å; I175-N179 PolarHBondContact O-N 2.88Å; I175-N179 PolarHBondContact O-ND2 3.4Å; D176-N179 PolarHBondContact O-N 3.24Å; N179-S181 VanDerWaalsContact C-N 3.29Å; N179-S181 PolarHBondContact O-N 2.99Å; N179-N182 PolarHBondContact O-N 2.88Å; N179-S183 PolarHBondContact O-N 3.22Å; N179-S183 PolarHBondContact O-OG 3.38Å
180S79.1Confident67.3Low65 Ų6569.6 Ų69.646%0.45543%0.428SS..Hα-helixtrans-62.4-34.1177.1-60.30000112.7D176 S177 I178 N182 S183 N184D176-S180 VanDerWaalsContact O-CB 3.25Å; D176-S180 WeakPolarHBondContact O-CB 3.48Å; D176-S180 PolarHBondContact O-N 3.37Å; D176-S180 PolarHBondContact O-OG 3.26Å; S177-S180 PolarHBondContact O-N 2.75Å; I178-S180 PolarHBondContact O-N 2.95Å; S180-N182 VanDerWaalsContact C-N 3.33Å; S180-S183 PolarHBondContact O-OG 2.96Å; S180-N184 PolarHBondContact O-ND2 3.44Å
181S66.3Low64.4Low39 Ų3974.6 Ų74.627%0.27346%0.461SS..Hα-helixtrans-73-23.6172.759.40000113.9S177 I178 N179 S207S177-S181 PolarHBondContact O-N 3.11Å; S177-S181 VanDerWaalsContact O-N 3.15Å; S177-S181 PolarHBondContact O-OG 3.33Å; I178-S181 PolarHBondContact O-N 3.04Å; I178-S181 PolarHBondContact O-OG 3.07Å; N179-S181 VanDerWaalsContact C-N 3.29Å; N179-S181 PolarHBondContact O-N 2.99Å; S181-S207 VanDerWaalsContact OG-CB 3.24Å; S181-S207 WeakPolarHBondContact OG-CB 3.31Å; S181-S207 PolarHBondContact OG-OG 3.23Å
182N60Low61.7Low107 Ų10783.9 Ų83.957%0.57250%0.501SS*.Hα-helixtrans-86.8-30.4177.8-72.1-35.2000113I178 N179 S180I178-N182 PolarHBondContact O-N 2.89Å; I178-N182 PolarHBondContact O-ND2 3.23Å; N179-N182 PolarHBondContact O-N 2.88Å; S180-N182 VanDerWaalsContact C-N 3.33Å
183S58.3Low58.8Low71 Ų7188.3 Ų88.350%0.49753%0.526SS..Hα-helixtrans-76-25-176.254.30000114.5N179 S180 G185N179-S183 PolarHBondContact O-N 3.22Å; N179-S183 PolarHBondContact O-OG 3.38Å; S180-S183 PolarHBondContact O-OG 2.96Å; S183-G185 PolarHBondContact O-N 3.39Å; S183-G185 VanDerWaalsContact O-N 3.07Å
184N47.3Very low56.3Low150 Ų15092.7 Ų92.780%0.80256%0.556SS**THydrogen-bonded Turntrans-74.29.4-178.8-72.1-20000114.6S180S180-N184 PolarHBondContact O-ND2 3.44Å
185G40.7Very low53.8Low60 Ų60101.4 Ų101.462%0.61960%0.597SS**THydrogen-bonded Turntrans-106.91.3178.500000115.6S183 L187S183-G185 PolarHBondContact O-N 3.39Å; S183-G185 VanDerWaalsContact O-N 3.07Å; G185-L187 PolarHBondContact O-N 2.86Å
186S34.2Very low51.6Low110 Ų110107.3 Ų107.377%0.76963%0.633SS**  trans-95.970.9-170.6-60.60000113
187L35.8Very low48.8Very low166 Ų166111.8 Ų111.887%0.86966%0.657SS**  trans-122.6130167.2-117.8164.8000109.5G185G185-L187 PolarHBondContact O-N 2.86Å
188E31.3Very low46.4Very low199 Ų199115.8 Ų115.893%0.9368%0.681SS**  trans-71.4128.8-169.3-58.9173118.500111.7
189G33.6Very low44Very low69 Ų69123.1 Ų123.171%0.71172%0.718SS**  trans173.276.4179.600000116.2P191G189-P191 WeakPolarHBondContact O-CD 3.06Å
190S28.8Very low41.7Very low129 Ų129126 Ų12690%0.90273%0.732SS**  trans-64.3125.3158.4-56.70000109.4
191P33.2Very low39.6Very low106 Ų106127.5 Ų127.569%0.68874%0.74SS**  -152.3149.9121.235.8-18.5000117.1G189G189-P191 WeakPolarHBondContact O-CD 3.06Å
192K36.5Very low38.1Very low197 Ų197134 Ų13486%0.85777%0.767SS**  trans56.3114139.3-64.9173.5-179.9177.50119.9
193I32.7Very low37Very low166 Ų166135 Ų13585%0.85178%0.776SS**  trans-52.9138.5149.1-58.9161.6000109.6
194C36.6Very low36.3Very low119 Ų119140 Ų14080%0.80479%0.789SS**  trans-141.1138.2159.4-162.30000108.7T196C194-T196 PolarHBondContact O-N 3.22Å
195E38.6Very low36.1Very low183 Ų183139.8 Ų139.886%0.85579%0.788SS**  trans-85.6109.4-170.3-62.9168.7138.500111.5
196T44.8Very low36.9Very low128 Ų128140.9 Ų140.979%0.78578%0.784SS**  trans-158.8129.2154.523.80000109.2C194 T198C194-T196 PolarHBondContact O-N 3.22Å; T196-T198 PolarHBondContact O-N 3.46Å
197D32.9Very low38.6Very low168 Ų168136.2 Ų136.290%0.89875%0.752SS**  trans-73.585.5-177.3-72.6-63000112.8
198T36.3Very low40.7Very low112 Ų112130.8 Ų130.869%0.68773%0.725SS**  trans-148.694.6159.2-52.90000109.6T196 I200T196-T198 PolarHBondContact O-N 3.46Å; T198-I200 VanDerWaalsContact C-N 3.33Å; T198-I200 HydrophobicContact CG2-CG1 4.11Å; T198-I200 PolarHBondContact O-N 3.09Å
199I34.6Very low43.4Very low162 Ų162121.3 Ų121.383%0.83168%0.681SS**  trans-72.291.7173.7-57177.1000108.5P201I199-P201 WeakPolarHBondContact O-CD 3.36Å
200I34.9Very low45.9Very low139 Ų139119.7 Ų119.771%0.71366%0.658SS**  trans-79.7111.4159.9-56.3177000106T198 E202T198-I200 VanDerWaalsContact C-N 3.33Å; T198-I200 HydrophobicContact CG2-CG1 4.11Å; T198-I200 PolarHBondContact O-N 3.09Å; I200-E202 PolarHBondContact O-N 2.83Å
201P34.5Very low48.6Very low97 Ų97116.5 Ų116.563%0.6363%0.633SS**  trans-68.9121.7176.828.1-32.9000109.2I199 T203I199-P201 WeakPolarHBondContact O-CD 3.36Å; P201-T203 PolarHBondContact O-N 3.24Å
202E35.8Very low51.3Low177 Ų177112.4 Ų112.483%0.82760%0.604SS**  trans-57.5113.5176.4-66.6-173.6140.600110.4I200 K204I200-E202 PolarHBondContact O-N 2.83Å; E202-K204 PolarHBondContact O-N 3.02Å
203T35.3Very low53.8Low127 Ų127103 Ų10378%0.77956%0.563SS**  trans-77.174.4-177.255.40000111P201 N205P201-T203 PolarHBondContact O-N 3.24Å; T203-N205 PolarHBondContact O-N 3.32Å
204K43.6Very low56.4Low175 Ų17599.4 Ų99.476%0.76154%0.543SS*.  trans-57.1109.5155.6-72-170.8177.4-173.70107.3E202 P206E202-K204 PolarHBondContact O-N 3.02Å; K204-P206 WeakPolarHBondContact O-CD 3.42Å
205N43.8Very low58.9Low147 Ų14798.6 Ų98.679%0.78654%0.538SS*.  trans-58.8111.6173.1-103.2-9.3000108.2T203T203-N205 PolarHBondContact O-N 3.32Å
206P58.1Low61.3Low82 Ų8290.3 Ų90.353%0.53250%0.502SS..  trans-69.8138.2179.8-9.926.4000108.3K204 T210 T211K204-P206 WeakPolarHBondContact O-CD 3.42Å; P206-T210 WeakPolarHBondContact CA-OG1 3.47Å; P206-T210 WeakPolarHBondContact CB-OG1 3.47Å; P206-T211 HydrophobicContact CB-CG2 4.1Å
207S68.7Low63.5Low12 Ų1284.2 Ų84.28%0.08446%0.464CS..  trans-58.9145.8163.842.50000108.9S181 F209 T210S181-S207 VanDerWaalsContact OG-CB 3.24Å; S181-S207 WeakPolarHBondContact OG-CB 3.31Å; S181-S207 PolarHBondContact OG-OG 3.23Å; S207-F209 PolarHBondContact O-N 3.3Å; S207-T210 PolarHBondContact N-OG1 2.89Å; S207-T210 PolarHBondContact O-N 2.93Å; S207-T210 PolarHBondContact O-OG1 3.03Å; S207-T210 WeakPolarHBondContact OG-CG2 3.46Å
208T80.6Confident66.3Low52 Ų5276.2 Ų76.232%0.31942%0.422SS..Hα-helixtrans-50.1-38.4-175.7-35.10000111.6E126 T210 T211 F212E126-T208 HydrophobicContact CG-CG2 3.95Å; E126-T208 WeakPolarHBondContact OE1-CB 3.47Å; E126-T208 WeakPolarHBondContact OE1-CG2 3.3Å; E126-T208 PolarHBondContact OE1-OG1 3.1Å; T208-T210 PolarHBondContact O-N 3.07Å; T208-T211 WeakPolarHBondContact O-CB 3.09Å; T208-T211 PolarHBondContact O-N 3.1Å; T208-T211 PolarHBondContact O-OG1 2.79Å; T208-F212 HydrophobicContact CG2-CE2 3.96Å; T208-F212 HydrophobicContact CG2-CZ 4.01Å; T208-F212 PolarHBondContact O-N 3.35Å
209F87.3Confident68.9Low0 Ų071 Ų710%039%0.389CS..Hα-helixtrans-60.5-39.1175.5-59.2-63.1000114.8V123 E126 A127 L130 I174 S177 I178 S207 T211 F212 Y213V123-F209 HydrophobicContact CG1-CD1 3.93Å; V123-F209 HydrophobicContact CG1-CE1 3.98Å; E126-F209 HydrophobicContact CB-CE1 3.91Å; E126-F209 HydrophobicContact CB-CZ 4.07Å; E126-F209 HydrophobicContact CG-CE1 4.07Å; E126-F209 HydrophobicContact CG-CZ 3.91Å; A127-F209 HydrophobicContact CB-CE1 4.43Å; A127-F209 HydrophobicContact CB-CZ 4.23Å; L130-F209 HydrophobicContact CD1-CE2 3.66Å; L130-F209 HydrophobicContact CD1-CZ 3.96Å; I174-F209 HydrophobicContact CB-CE1 4.49Å; I174-F209 HydrophobicContact CB-CZ 4.44Å; I174-F209 HydrophobicContact CG1-CD1 4.28Å; I174-F209 HydrophobicContact CG1-CE1 3.79Å; I174-F209 HydrophobicContact CG1-CE2 4.41Å; I174-F209 HydrophobicContact CG1-CZ 3.86Å; I174-F209 HydrophobicContact CG2-CB 4.49Å; I174-F209 HydrophobicContact CG2-CD1 4.02Å; I174-F209 HydrophobicContact CG2-CD2 4.3Å; I174-F209 HydrophobicContact CG2-CE1 4.36Å; I174-F209 HydrophobicContact CG2-CG 4Å; S177-F209 WeakPolarHBondContact OG-CD2 3.32Å; I178-F209 HydrophobicContact CD1-CB 4.2Å; I178-F209 HydrophobicContact CG1-CB 3.9Å; S207-F209 PolarHBondContact O-N 3.3Å; F209-T211 PolarHBondContact O-N 2.63Å; F209-F212 HydrophobicContact CD1-CD2 4.08Å; F209-F212 HydrophobicContact CD1-CE2 4.4Å; F209-F212 PolarHBondContact O-N 2.84Å; F209-Y213 WeakPolarHBondContact O-CD2 3.44Å; F209-Y213 PolarHBondContact O-N 3.38Å
210T85.6Confident71.6Confident36 Ų3665.1 Ų65.122%0.22136%0.36CS..Hα-helixtrans-67.1-18.4175.259.10000113.3P206 S207 T208 L220P206-T210 WeakPolarHBondContact CA-OG1 3.47Å; P206-T210 WeakPolarHBondContact CB-OG1 3.47Å; S207-T210 PolarHBondContact N-OG1 2.89Å; S207-T210 PolarHBondContact O-N 2.93Å; S207-T210 PolarHBondContact O-OG1 3.03Å; S207-T210 WeakPolarHBondContact OG-CG2 3.46Å; T208-T210 PolarHBondContact O-N 3.07Å; T210-L220 HydrophobicContact CG2-CD1 4.33Å; T210-L220 HydrophobicContact CG2-CD2 4.02Å
211T86.7Confident74.3Confident62 Ų6260.7 Ų60.738%0.3834%0.337SS..Hα-helixtrans-77-31.4170.281.10000112.4R68 P206 T208 F209R68-T211 WeakPolarHBondContact CD-O 3.44Å; P206-T211 HydrophobicContact CB-CG2 4.1Å; T208-T211 WeakPolarHBondContact O-CB 3.09Å; T208-T211 PolarHBondContact O-N 3.1Å; T208-T211 PolarHBondContact O-OG1 2.79Å; F209-T211 PolarHBondContact O-N 2.63Å
212F88.8Confident77.1Confident19 Ų1962.4 Ų62.48%0.08334%0.342CS..Hα-helixtrans-76.1-22.8177.2-61.4-47.5000113.6L67 R68 P122 V123 E126 T208 F209L67-F212 HydrophobicContact CD1-CB 4.19Å; R68-F212 WeakPolarHBondContact CB-O 3.49Å; R68-F212 PolarHBondContact N-O 3.44Å; P122-F212 HydrophobicContact CB-CE1 3.84Å; P122-F212 HydrophobicContact CB-CZ 3.95Å; V123-F212 HydrophobicContact CB-CD2 4.4Å; V123-F212 HydrophobicContact CG2-CB 3.95Å; V123-F212 HydrophobicContact CG2-CD2 3.79Å; V123-F212 HydrophobicContact CG2-CE2 4.48Å; V123-F212 HydrophobicContact CG2-CG 3.93Å; E126-F212 HydrophobicContact CB-CE2 3.99Å; E126-F212 HydrophobicContact CG-CE2 4.3Å; T208-F212 HydrophobicContact CG2-CE2 3.96Å; T208-F212 HydrophobicContact CG2-CZ 4.01Å; T208-F212 PolarHBondContact O-N 3.35Å; F209-F212 HydrophobicContact CD1-CD2 4.08Å; F209-F212 HydrophobicContact CD1-CE2 4.4Å; F209-F212 PolarHBondContact O-N 2.84Å
213Y89.7Confident79.8Confident1 Ų155.3 Ų55.30%0.00431%0.308CS..BIsolated β-bridgetrans-120.4149.9-169.2-73.1-72.1000114.2L63 L67 R68 V123 F209 A217 L219L63-Y213 VanDerWaalsContact O-CE1 3.29Å; L63-Y213 WeakPolarHBondContact O-CE1 3.39Å; L63-Y213 PolarHBondContact O-OH 2.81Å; L67-Y213 HydrophobicContact CB-CD1 4.26Å; L67-Y213 HydrophobicContact CB-CE1 3.93Å; L67-Y213 HydrophobicContact CD1-CD1 4.17Å; L67-Y213 HydrophobicContact CD1-CE1 3.65Å; L67-Y213 HydrophobicContact CD1-CE2 4.38Å; L67-Y213 HydrophobicContact CG-CE1 4.42Å; R68-Y213 PolarHBondContact NE-O 3.48Å; R68-Y213 PolarHBondContact NH2-O 3.14Å; V123-Y213 HydrophobicContact CG1-CE2 3.96Å; V123-Y213 HydrophobicContact CG2-CE2 4.03Å; F209-Y213 WeakPolarHBondContact O-CD2 3.44Å; F209-Y213 PolarHBondContact O-N 3.38Å; Y213-A217 HydrophobicContact CD1-CB 3.6Å; Y213-A217 HydrophobicContact CG-CB 3.94Å; Y213-L219 HydrophobicContact CE2-CD1 4.24Å
214H88.4Confident82.5Confident89 Ų8949.3 Ų49.341%0.41227%0.271SS..  trans-74.6148.8161.8-69.8-83.5000110G66 G216 A217G66-H214 PolarHBondContact O-CD2 3.45Å; G66-H214 PolarHBondContact O-N 2.79Å; H214-G216 PolarHBondContact O-N 2.96Å; H214-A217 WeakPolarHBondContact O-CB 3.01Å; H214-A217 PolarHBondContact O-N 3.3Å
215S88.1Confident84.9Confident102 Ų10244.1 Ų44.171%0.71325%0.254SS*.THydrogen-bonded Turntrans-56.4-27.3-175.349.20000115.2A217 N221S215-A217 VanDerWaalsContact C-N 3.32Å; S215-N221 PolarHBondContact O-ND2 2.84Å
216G88.3Confident87.3Confident9 Ų940.1 Ų40.19%0.09324%0.235CC..THydrogen-bonded Turntrans-832.917500000115.6M1 R5 H65 H214M1-G216 VanDerWaalsContact SD-C 3.58Å; M1-G216 VanDerWaalsContact SD-CA 3.57Å; R5-G216 WeakPolarHBondContact CD-O 3.23Å; R5-G216 PolarHBondContact NH1-O 3.36Å; R5-G216 VanDerWaalsContact NH1-O 3.12Å; H65-G216 PolarHBondContact CE1-O 3.47Å; H214-G216 PolarHBondContact O-N 2.96Å
217A91.1Very high89Confident0 Ų036.2 Ų36.20%021%0.209CC..  trans-61.3155.2-178.700000113.5H65 Y213 H214 S215 L219 L220 N221H65-A217 VanDerWaalsContact O-CA 3.3Å; H65-A217 WeakPolarHBondContact O-CA 3.36Å; H65-A217 WeakPolarHBondContact O-CB 3.33Å; Y213-A217 HydrophobicContact CD1-CB 3.6Å; Y213-A217 HydrophobicContact CG-CB 3.94Å; H214-A217 WeakPolarHBondContact O-CB 3.01Å; H214-A217 PolarHBondContact O-N 3.3Å; S215-A217 VanDerWaalsContact C-N 3.32Å; A217-L219 PolarHBondContact O-N 3.35Å; A217-L220 HydrophobicContact CB-CB 4.47Å; A217-L220 HydrophobicContact CB-CG 4.23Å; A217-L220 PolarHBondContact O-N 2.87Å; A217-N221 PolarHBondContact O-ND2 3.47Å
218L92.3Very high90.2Very high0 Ų035.6 Ų35.60%021%0.205CC..G310 helixtrans-64.8-44.4-173.4-175.3148.1000111.8R5 L8 C62 H65 L220 N221 E223 G224 V227R5-L218 HydrophobicContact CG-CB 4.18Å; R5-L218 HydrophobicContact CG-CG 4.5Å; L8-L218 HydrophobicContact CB-CD1 3.75Å; L8-L218 HydrophobicContact CD1-CD1 3.85Å; L8-L218 HydrophobicContact CG-CD1 4.48Å; C62-L218 HydrophobicContact CB-CD1 4.49Å; C62-L218 HydrophobicContact CB-CD2 4.1Å; H65-L218 HydrophobicContact CB-CB 4.03Å; H65-L218 PolarHBondContact ND1-N 3.34Å; H65-L218 VanDerWaalsContact ND1-N 3.19Å; H65-L218 PolarHBondContact O-N 2.84Å; L218-L220 VanDerWaalsContact C-N 3.28Å; L218-L220 PolarHBondContact O-N 3.17Å; L218-N221 PolarHBondContact O-N 2.93Å; L218-E223 HydrophobicContact CG-CB 4.46Å; L218-G224 VanDerWaalsContact O-CA 3.28Å; L218-G224 WeakPolarHBondContact O-CA 3.34Å; L218-G224 PolarHBondContact O-N 3.46Å; L218-G224 VanDerWaalsContact O-N 3.09Å; L218-V227 HydrophobicContact CD2-CB 4.34Å; L218-V227 HydrophobicContact CD2-CG2 4.09Å
219L91.5Very high90.8Very high2 Ų235.1 Ų35.11%0.0121%0.211CC..G310 helixtrans-73.5-15.1-179.8-60.9176.5000114L63 F171 I174 I175 I178 Y213 A217L63-L219 HydrophobicContact CD2-CD1 4.21Å; F171-L219 HydrophobicContact CD1-CD2 3.88Å; F171-L219 HydrophobicContact CE1-CD2 3.87Å; I174-L219 HydrophobicContact CD1-CD1 4.49Å; I174-L219 HydrophobicContact CG2-CD1 4.35Å; I175-L219 WeakPolarHBondContact CD1-O 3.48Å; I178-L219 WeakPolarHBondContact CD1-O 3.48Å; Y213-L219 HydrophobicContact CE2-CD1 4.24Å; A217-L219 PolarHBondContact O-N 3.35Å
220L91Very high91.1Very high40 Ų4037 Ų3721%0.20922%0.22CC..G310 helixtrans-92.22.2174.4-59.7-165.5000113.4I178 T210 A217 L218I178-L220 HydrophobicContact CD1-CD2 3.53Å; I178-L220 HydrophobicContact CG1-CD2 3.89Å; I178-L220 HydrophobicContact CG2-CD2 4.2Å; T210-L220 HydrophobicContact CG2-CD1 4.33Å; T210-L220 HydrophobicContact CG2-CD2 4.02Å; A217-L220 HydrophobicContact CB-CB 4.47Å; A217-L220 HydrophobicContact CB-CG 4.23Å; A217-L220 PolarHBondContact O-N 2.87Å; L218-L220 VanDerWaalsContact C-N 3.28Å; L218-L220 PolarHBondContact O-N 3.17Å
221N92Very high91.5Very high45 Ų4535.2 Ų35.224%0.24121%0.21CC..SBendtrans-129.6168.2-175.7-71.9-104.3000111R5 S215 A217 L218 E223 G224R5-N221 VanDerWaalsContact NH1-CG 3.29Å; R5-N221 PolarHBondContact NH1-ND2 3.04Å; R5-N221 PolarHBondContact NH1-OD1 2.74Å; R5-N221 VanDerWaalsContact NH1-OD1 3.14Å; S215-N221 PolarHBondContact O-ND2 2.84Å; A217-N221 PolarHBondContact O-ND2 3.47Å; L218-N221 PolarHBondContact O-N 2.93Å; N221-E223 VanDerWaalsContact CB-OE2 3.25Å; N221-E223 WeakPolarHBondContact CB-OE2 3.48Å; N221-E223 PolarHBondContact O-N 2.96Å; N221-G224 PolarHBondContact O-N 3.07Å
222N92.1Very high91.8Very high134 Ų13434.5 Ų34.572%0.71721%0.21SC*.Hα-helixtrans-53.4-32.5-175.3-68.9-25.1000113.6G224 V225 V226N222-G224 VanDerWaalsContact C-N 3.26Å; N222-G224 PolarHBondContact O-N 3.07Å; N222-V225 WeakPolarHBondContact O-CB 3.43Å; N222-V225 PolarHBondContact O-N 3.15Å; N222-V226 PolarHBondContact O-N 3.36Å
223E93.4Very high91.9Very high28 Ų2836.5 Ų36.513%0.13122%0.224CC..Hα-helixtrans-61.2-33.8177.7-58.793.9140.100112.3R5 L9 L218 N221 V226 V227R5-E223 HydrophobicContact CB-CB 4.2Å; R5-E223 HydrophobicContact CB-CG 3.92Å; R5-E223 WeakPolarHBondContact CB-OE1 3.36Å; R5-E223 IonicContact CZ-OE1 3.63Å; R5-E223 IonicContact CZ-OE2 3.51Å; R5-E223 IonicContact NE-OE1 3.78Å; R5-E223 PolarHBondContact NE-OE1 3.22Å; R5-E223 IonicContact NE-OE2 3.98Å; R5-E223 PolarHBondContact NE-OE2 3.34Å; R5-E223 VanDerWaalsContact NE-OE2 3.1Å; R5-E223 IonicContact NH2-OE1 2.71Å; R5-E223 PolarHBondContact NH2-OE1 3.23Å; R5-E223 IonicContact NH2-OE2 3.38Å; L9-E223 HydrophobicContact CB-CB 4.34Å; L9-E223 HydrophobicContact CD2-CB 4.04Å; L9-E223 HydrophobicContact CD2-CG 3.91Å; L218-E223 HydrophobicContact CG-CB 4.46Å; N221-E223 VanDerWaalsContact CB-OE2 3.25Å; N221-E223 WeakPolarHBondContact CB-OE2 3.48Å; N221-E223 PolarHBondContact O-N 2.96Å; E223-V226 PolarHBondContact O-N 2.95Å; E223-V227 WeakPolarHBondContact O-CG2 3.28Å; E223-V227 PolarHBondContact O-N 2.86Å
224G91.5Very high92Very high0 Ų036.5 Ų36.50%022%0.224CC..Hα-helixtrans-65.9-36174.900000113.6L218 N221 N222 V227 T228L218-G224 VanDerWaalsContact O-CA 3.28Å; L218-G224 WeakPolarHBondContact O-CA 3.34Å; L218-G224 PolarHBondContact O-N 3.46Å; L218-G224 VanDerWaalsContact O-N 3.09Å; N221-G224 PolarHBondContact O-N 3.07Å; N222-G224 VanDerWaalsContact C-N 3.26Å; N222-G224 PolarHBondContact O-N 3.07Å; G224-V227 PolarHBondContact O-N 2.95Å; G224-T228 WeakPolarHBondContact O-CB 3.31Å; G224-T228 PolarHBondContact O-N 2.76Å; G224-T228 PolarHBondContact O-OG1 3.02Å
225V93.3Very high92.2Very high66 Ų6635.2 Ų35.240%0.422%0.22SC..Hα-helixtrans-64.1-43173.4-170.90000110.2I175 N222 T228 G229I175-V225 HydrophobicContact CD1-CG2 4.32Å; I175-V225 HydrophobicContact CG2-CG2 4.09Å; N222-V225 WeakPolarHBondContact O-CB 3.43Å; N222-V225 PolarHBondContact O-N 3.15Å; V225-T228 WeakPolarHBondContact O-CB 3.28Å; V225-T228 PolarHBondContact O-N 2.91Å; V225-G229 PolarHBondContact O-N 3.08Å; V225-G229 VanDerWaalsContact O-N 3.07Å
226V94.9Very high92.2Very high63 Ų6333.4 Ų33.438%0.38221%0.207SC..Hα-helixtrans-70.1-38.5178.1-171.60000111.7L9 N222 E223 T228 G229 L230L9-V226 HydrophobicContact CD1-CB 3.81Å; L9-V226 HydrophobicContact CD1-CG1 3.72Å; L9-V226 HydrophobicContact CD2-CB 4.36Å; L9-V226 HydrophobicContact CD2-CG1 4.48Å; N222-V226 PolarHBondContact O-N 3.36Å; E223-V226 PolarHBondContact O-N 2.95Å; V226-T228 VanDerWaalsContact C-N 3.34Å; V226-G229 PolarHBondContact O-N 3.43Å; V226-L230 HydrophobicContact CG1-CD1 4.12Å; V226-L230 WeakPolarHBondContact O-CD1 3.35Å; V226-L230 VanDerWaalsContact O-CG 3.25Å; V226-L230 WeakPolarHBondContact O-CG 3.48Å; V226-L230 PolarHBondContact O-N 3.32Å
227V93.5Very high92.3Very high0 Ų033 Ų330%020%0.203CC..Hα-helixtrans-60.5-43.9172.11680000110.7L9 V12 C62 F171 L218 E223 G224 G229 L230 L231L9-V227 HydrophobicContact CD1-CG2 3.81Å; V12-V227 HydrophobicContact CB-CG2 4.34Å; V12-V227 HydrophobicContact CG1-CG1 4.48Å; V12-V227 HydrophobicContact CG1-CG2 4.36Å; V12-V227 HydrophobicContact CG2-CG1 4.46Å; V12-V227 HydrophobicContact CG2-CG2 4.03Å; C62-V227 HydrophobicContact CB-CG1 4.43Å; F171-V227 HydrophobicContact CD1-CG1 4.47Å; F171-V227 HydrophobicContact CE1-CG1 4.25Å; L218-V227 HydrophobicContact CD2-CB 4.34Å; L218-V227 HydrophobicContact CD2-CG2 4.09Å; E223-V227 WeakPolarHBondContact O-CG2 3.28Å; E223-V227 PolarHBondContact O-N 2.86Å; G224-V227 PolarHBondContact O-N 2.95Å; V227-G229 PolarHBondContact O-N 3.11Å; V227-L230 WeakPolarHBondContact O-CB 3.15Å; V227-L230 PolarHBondContact O-N 2.97Å; V227-L230 VanDerWaalsContact O-N 3.15Å; V227-L231 HydrophobicContact CG1-CD1 3.95Å; V227-L231 HydrophobicContact CG1-CG 4.2Å; V227-L231 WeakPolarHBondContact O-CG 3.45Å; V227-L231 PolarHBondContact O-N 2.66Å
228T93.4Very high92.2Very high0 Ų036.3 Ų36.30%022%0.221CC..Hα-helixtrans-57.7-50177.5-58.90000111.7F171 Q172 I175 G224 V225 V226 L230 L231 A232F171-T228 HydrophobicContact CB-CG2 3.84Å; Q172-T228 HydrophobicContact CB-CG2 3.89Å; I175-T228 WeakPolarHBondContact CG1-OG1 3.37Å; G224-T228 WeakPolarHBondContact O-CB 3.31Å; G224-T228 PolarHBondContact O-N 2.76Å; G224-T228 PolarHBondContact O-OG1 3.02Å; V225-T228 WeakPolarHBondContact O-CB 3.28Å; V225-T228 PolarHBondContact O-N 2.91Å; V226-T228 VanDerWaalsContact C-N 3.34Å; T228-L230 VanDerWaalsContact C-N 3.3Å; T228-L230 PolarHBondContact O-N 2.86Å; T228-L231 PolarHBondContact O-N 2.93Å; T228-A232 PolarHBondContact O-N 2.64Å
229G93.8Very high92.2Very high42 Ų4236.8 Ų36.843%0.43322%0.223SC..Hα-helixtrans-61.7-34.2175.800000113.7V225 V226 V227V225-G229 PolarHBondContact O-N 3.08Å; V225-G229 VanDerWaalsContact O-N 3.07Å; V226-G229 PolarHBondContact O-N 3.43Å; V227-G229 PolarHBondContact O-N 3.11Å
230L94.4Very high92.1Very high38 Ų3839.2 Ų39.220%0.19924%0.239CC..Hα-helixtrans-69.3-42.3173.7-70.8163.7000111.8L9 V12 K13 V226 V227 T228 A232 T233L9-L230 HydrophobicContact CD1-CD1 4.06Å; V12-L230 HydrophobicContact CG1-CB 4.05Å; V12-L230 HydrophobicContact CG1-CD1 3.88Å; K13-L230 HydrophobicContact CG-CD1 3.51Å; K13-L230 HydrophobicContact CG-CD2 4.45Å; V226-L230 HydrophobicContact CG1-CD1 4.12Å; V226-L230 WeakPolarHBondContact O-CD1 3.35Å; V226-L230 VanDerWaalsContact O-CG 3.25Å; V226-L230 WeakPolarHBondContact O-CG 3.48Å; V226-L230 PolarHBondContact O-N 3.32Å; V227-L230 WeakPolarHBondContact O-CB 3.15Å; V227-L230 PolarHBondContact O-N 2.97Å; V227-L230 VanDerWaalsContact O-N 3.15Å; T228-L230 VanDerWaalsContact C-N 3.3Å; T228-L230 PolarHBondContact O-N 2.86Å; L230-A232 VanDerWaalsContact C-N 3.3Å; L230-A232 PolarHBondContact O-N 2.55Å; L230-T233 PolarHBondContact O-N 3.03Å; L230-T233 VanDerWaalsContact O-N 3.16Å; L230-T233 PolarHBondContact O-OG1 3.43Å
231L93.4Very high92Very high0 Ų037.7 Ų37.70%023%0.231CC..Hα-helixtrans-66.6-31.1177.8-65.5178.9000112.6L55 V59 L167 F171 V227 T228 T233 L234L55-L231 HydrophobicContact CD1-CD2 4.25Å; V59-L231 HydrophobicContact CG2-CD1 4.24Å; V59-L231 HydrophobicContact CG2-CD2 3.66Å; L167-L231 HydrophobicContact CD2-CD1 4.3Å; L167-L231 HydrophobicContact CD2-CD2 4.17Å; L167-L231 HydrophobicContact CG-CD1 4.3Å; F171-L231 HydrophobicContact CD1-CD1 3.73Å; F171-L231 HydrophobicContact CD2-CD1 4.04Å; F171-L231 HydrophobicContact CE1-CD1 3.66Å; F171-L231 HydrophobicContact CE2-CD1 3.99Å; F171-L231 HydrophobicContact CG-CD1 3.92Å; F171-L231 HydrophobicContact CZ-CD1 3.79Å; V227-L231 HydrophobicContact CG1-CD1 3.95Å; V227-L231 HydrophobicContact CG1-CG 4.2Å; V227-L231 WeakPolarHBondContact O-CG 3.45Å; V227-L231 PolarHBondContact O-N 2.66Å; T228-L231 PolarHBondContact O-N 2.93Å; L231-T233 PolarHBondContact O-N 2.77Å; L231-L234 HydrophobicContact CB-CD1 4.48Å; L231-L234 HydrophobicContact CD2-CD1 3.65Å; L231-L234 VanDerWaalsContact O-CB 3.29Å; L231-L234 WeakPolarHBondContact O-CB 3.26Å; L231-L234 WeakPolarHBondContact O-CG 3.42Å; L231-L234 PolarHBondContact O-N 3.07Å; L231-L234 VanDerWaalsContact O-N 3.17Å
232A92.7Very high91.6Very high47 Ų4737.3 Ų37.339%0.38823%0.229SC..Hα-helixtrans-61.9-27.5173.100000113.4T228 L230 L234 N235T228-A232 PolarHBondContact O-N 2.64Å; L230-A232 VanDerWaalsContact C-N 3.3Å; L230-A232 PolarHBondContact O-N 2.55Å; A232-L234 PolarHBondContact O-N 3.38Å; A232-N235 WeakPolarHBondContact O-CB 3.48Å; A232-N235 PolarHBondContact O-N 3.46Å
233T92.1Very high91.1Very high60 Ų6032.2 Ų32.237%0.36820%0.201SC..Hα-helixtrans-67.6-23176.868.30000113.2V16 I20 L230 L231 N235 S236V16-T233 WeakPolarHBondContact CG1-OG1 3.46Å; I20-T233 WeakPolarHBondContact CD1-OG1 3.3Å; L230-T233 PolarHBondContact O-N 3.03Å; L230-T233 VanDerWaalsContact O-N 3.16Å; L230-T233 PolarHBondContact O-OG1 3.43Å; L231-T233 PolarHBondContact O-N 2.77Å; T233-N235 PolarHBondContact O-N 3.02Å; T233-S236 PolarHBondContact O-N 2.87Å; T233-S236 PolarHBondContact O-OG 3.42Å
234L91.9Very high90Very high2 Ų237.1 Ų37.11%0.0122%0.222CC..G310 helixtrans-67.5-15.1179-58.1172.5000113.4V16 L19 L55 L162 L231 A232 S236 I237 F239V16-L234 HydrophobicContact CG1-CD2 4.18Å; V16-L234 HydrophobicContact CG2-CD2 4.4Å; L19-L234 HydrophobicContact CD2-CD2 4.07Å; L55-L234 HydrophobicContact CD1-CD1 4.1Å; L55-L234 HydrophobicContact CD2-CD1 3.76Å; L55-L234 HydrophobicContact CD2-CD2 4.17Å; L162-L234 HydrophobicContact CD2-CD1 4.06Å; L231-L234 HydrophobicContact CB-CD1 4.48Å; L231-L234 HydrophobicContact CD2-CD1 3.65Å; L231-L234 VanDerWaalsContact O-CB 3.29Å; L231-L234 WeakPolarHBondContact O-CB 3.26Å; L231-L234 WeakPolarHBondContact O-CG 3.42Å; L231-L234 PolarHBondContact O-N 3.07Å; L231-L234 VanDerWaalsContact O-N 3.17Å; A232-L234 PolarHBondContact O-N 3.38Å; L234-S236 PolarHBondContact O-N 2.98Å; L234-S236 VanDerWaalsContact O-N 3.1Å; L234-I237 HydrophobicContact CD2-CD1 4.31Å; L234-I237 WeakPolarHBondContact O-CB 3.18Å; L234-I237 PolarHBondContact O-N 2.92Å; L234-F239 HydrophobicContact CB-CE2 4.27Å
235N90.6Very high88.9Confident61 Ų6142.9 Ų42.933%0.32625%0.253SS..G310 helixtrans-63.3-14.4175.8-69.68.6000112.9K165 A232 T233 I237K165-N235 HydrophobicContact CB-CB 4.23Å; K165-N235 VanDerWaalsContact CD-O 3.27Å; K165-N235 WeakPolarHBondContact CD-O 3.32Å; K165-N235 WeakPolarHBondContact CE-O 3.45Å; K165-N235 PolarHBondContact NZ-O 3.3Å; K165-N235 PolarHBondContact O-ND2 2.9Å; K165-N235 PolarHBondContact O-OD1 3.34Å; K165-N235 VanDerWaalsContact O-OD1 3.11Å; A232-N235 WeakPolarHBondContact O-CB 3.48Å; A232-N235 PolarHBondContact O-N 3.46Å; T233-N235 PolarHBondContact O-N 3.02Å; N235-I237 PolarHBondContact O-N 2.77Å
236S88.8Confident87.7Confident64 Ų6444.7 Ų44.745%0.44826%0.261SS..G310 helixtrans-71.5-5.5168.858.70000114.6T233 L234T233-S236 PolarHBondContact O-N 2.87Å; T233-S236 PolarHBondContact O-OG 3.42Å; L234-S236 PolarHBondContact O-N 2.98Å; L234-S236 VanDerWaalsContact O-N 3.1Å
237I90Very high87.1Confident2 Ų242.2 Ų42.21%0.0125%0.245CC..SBendtrans-118.3128.8-175.6-54.6170000110.1L19 I20 T23 Q27 V29 K165 L234 N235 F239L19-I237 HydrophobicContact CD2-CD1 4.11Å; L19-I237 HydrophobicContact CG-CD1 4.01Å; I20-I237 HydrophobicContact CG1-CD1 4.33Å; T23-I237 HydrophobicContact CG2-CD1 4.43Å; T23-I237 VanDerWaalsContact OG1-CD1 3.3Å; T23-I237 WeakPolarHBondContact OG1-CD1 3.43Å; Q27-I237 CarbonylContact O-C 3.57Å; Q27-I237 WeakPolarHBondContact O-CA 3.33Å; V29-I237 HydrophobicContact CB-CG2 4.38Å; V29-I237 HydrophobicContact CG2-CG2 3.65Å; K165-I237 VanDerWaalsContact CE-O 3.23Å; K165-I237 WeakPolarHBondContact CE-O 3.48Å; L234-I237 HydrophobicContact CD2-CD1 4.31Å; L234-I237 WeakPolarHBondContact O-CB 3.18Å; L234-I237 PolarHBondContact O-N 2.92Å; N235-I237 PolarHBondContact O-N 2.77Å; I237-F239 HydrophobicContact CB-CD2 4.26Å; I237-F239 HydrophobicContact CB-CE2 3.67Å; I237-F239 HydrophobicContact CB-CZ 3.98Å; I237-F239 HydrophobicContact CD1-CE2 4.5Å; I237-F239 HydrophobicContact CD1-CZ 4.1Å; I237-F239 HydrophobicContact CG2-CD1 4.47Å; I237-F239 HydrophobicContact CG2-CD2 4.14Å; I237-F239 HydrophobicContact CG2-CE1 4.15Å; I237-F239 HydrophobicContact CG2-CE2 3.79Å; I237-F239 HydrophobicContact CG2-CG 4.47Å; I237-F239 HydrophobicContact CG2-CZ 3.8Å; I237-F239 WeakPolarHBondContact O-CD2 3.34Å; I237-F239 PolarHBondContact O-N 3.28Å
238D90.3Very high86.3Confident68 Ų6845.1 Ų45.136%0.36427%0.266SS..EExtended strand (participates in β ladder)trans-81.798.5170.5-61.7-23.3000110Q27 Q28 V29 K165Q27-D238 PolarHBondContact O-N 2.81Å; Q28-D238 CarbonylContact C-O 3.56Å; Q28-D238 WeakPolarHBondContact CA-O 3.5Å; Q28-D238 HydrophobicContact CB-CB 4.21Å; Q28-D238 HydrophobicContact CG-CB 3.93Å; Q28-D238 PolarHBondContact NE2-OD2 3.42Å; V29-D238 PolarHBondContact N-O 3.28Å; K165-D238 WeakPolarHBondContact CE-OD1 3.49Å; K165-D238 IonicContact NZ-OD1 3.5Å; K165-D238 PolarHBondContact NZ-OD1 3.01Å
239F91.4Very high85.7Confident11 Ų1146 Ų465%0.04827%0.269CS..EExtended strand (participates in β ladder)trans-81.2137.9172.7-64.3-88.3000111.2L19 V29 V52 L55 L162 M163 L234 I237 F241L19-F239 HydrophobicContact CD2-CE1 4.12Å; L19-F239 HydrophobicContact CD2-CZ 3.95Å; V29-F239 HydrophobicContact CB-CD1 4.18Å; V29-F239 HydrophobicContact CB-CE1 4.48Å; V52-F239 HydrophobicContact CG1-CE1 4.45Å; V52-F239 HydrophobicContact CG2-CE1 4.01Å; L55-F239 HydrophobicContact CD2-CZ 4.5Å; L162-F239 HydrophobicContact CB-CB 4.13Å; L162-F239 HydrophobicContact CB-CD2 3.88Å; L162-F239 HydrophobicContact CB-CE2 4.46Å; L162-F239 HydrophobicContact CB-CG 3.96Å; L162-F239 HydrophobicContact CD2-CD2 4.1Å; L162-F239 HydrophobicContact CD2-CE2 3.83Å; L162-F239 HydrophobicContact CD2-CZ 4.19Å; L162-F239 HydrophobicContact CG-CD2 4.49Å; M163-F239 HydrophobicContact CG-CB 4.45Å; M163-F239 WeakPolarHBondContact CG-O 3.44Å; L234-F239 HydrophobicContact CB-CE2 4.27Å; I237-F239 HydrophobicContact CB-CD2 4.26Å; I237-F239 HydrophobicContact CB-CE2 3.67Å; I237-F239 HydrophobicContact CB-CZ 3.98Å; I237-F239 HydrophobicContact CD1-CE2 4.5Å; I237-F239 HydrophobicContact CD1-CZ 4.1Å; I237-F239 HydrophobicContact CG2-CD1 4.47Å; I237-F239 HydrophobicContact CG2-CD2 4.14Å; I237-F239 HydrophobicContact CG2-CE1 4.15Å; I237-F239 HydrophobicContact CG2-CE2 3.79Å; I237-F239 HydrophobicContact CG2-CG 4.47Å; I237-F239 HydrophobicContact CG2-CZ 3.8Å; I237-F239 WeakPolarHBondContact O-CD2 3.34Å; I237-F239 PolarHBondContact O-N 3.28Å; F239-F241 HydrophobicContact CB-CD2 4.36Å; F239-F241 HydrophobicContact CB-CE2 3.79Å; F239-F241 HydrophobicContact CB-CZ 4.5Å; F239-F241 HydrophobicContact CD1-CE2 4.22Å; F239-F241 HydrophobicContact CD1-CZ 4.12Å; F239-F241 HydrophobicContact CG-CE2 4.28Å
240C90.2Very high85.3Confident52 Ų5244 Ų4435%0.35125%0.248SC..EExtended strand (participates in β ladder)trans-135.7102.4172-172.40000109.8V29 F30 L31V29-C240 PolarHBondContact O-N 3.5Å; F30-C240 WeakPolarHBondContact CA-O 3.35Å; F30-C240 HydrophobicContact CD2-CB 3.93Å; L31-C240 PolarHBondContact N-O 3.43Å
241F88Confident84.8Confident8 Ų843.8 Ų43.84%0.03525%0.247CC..EExtended strand (participates in β ladder)trans-97.2125.3174.8-59.3-88.5000109.8L31 E33 V52 L56 R159 L162 M163 F239 L243L31-F241 HydrophobicContact CB-CD1 4.03Å; L31-F241 HydrophobicContact CB-CE1 4.41Å; L31-F241 HydrophobicContact CD1-CD1 4.05Å; L31-F241 HydrophobicContact CD1-CE1 3.57Å; L31-F241 HydrophobicContact CD1-CZ 4.36Å; L31-F241 CarbonylContact O-C 3.52Å; L31-F241 WeakPolarHBondContact O-CA 3.5Å; E33-F241 HydrophobicContact CG-CD1 4.44Å; E33-F241 WeakPolarHBondContact OE1-CD1 3.36Å; V52-F241 HydrophobicContact CG1-CE1 3.92Å; V52-F241 HydrophobicContact CG1-CZ 3.9Å; L56-F241 HydrophobicContact CD1-CE1 3.86Å; L56-F241 HydrophobicContact CD1-CZ 4.12Å; R159-F241 HydrophobicContact CB-CB 4.39Å; R159-F241 HydrophobicContact CB-CD1 4.47Å; R159-F241 HydrophobicContact CB-CD2 3.63Å; R159-F241 HydrophobicContact CB-CE2 3.95Å; R159-F241 HydrophobicContact CB-CG 3.93Å; R159-F241 HydrophobicContact CG-CD1 3.94Å; R159-F241 HydrophobicContact CG-CD2 3.92Å; R159-F241 HydrophobicContact CG-CE1 3.99Å; R159-F241 HydrophobicContact CG-CE2 3.99Å; R159-F241 HydrophobicContact CG-CG 3.91Å; R159-F241 HydrophobicContact CG-CZ 4.03Å; L162-F241 HydrophobicContact CB-CE2 4Å; L162-F241 HydrophobicContact CD1-CE2 4.07Å; L162-F241 HydrophobicContact CD1-CZ 3.98Å; M163-F241 HydrophobicContact CG-CD2 3.75Å; M163-F241 HydrophobicContact CG-CE2 4.41Å; M163-F241 HydrophobicContact SD-CB 4.06Å; M163-F241 HydrophobicContact SD-CD2 3.96Å; F239-F241 HydrophobicContact CB-CD2 4.36Å; F239-F241 HydrophobicContact CB-CE2 3.79Å; F239-F241 HydrophobicContact CB-CZ 4.5Å; F239-F241 HydrophobicContact CD1-CE2 4.22Å; F239-F241 HydrophobicContact CD1-CZ 4.12Å; F239-F241 HydrophobicContact CG-CE2 4.28Å; F241-L243 HydrophobicContact CB-CG 4.4Å; F241-L243 PolarHBondContact O-N 2.81Å
242I83.7Confident84.3Confident37 Ų3747.3 Ų47.319%0.1926%0.262CS..EExtended strand (participates in β ladder)trans-77.3113.9166.8-48.9-178.6000107.9F30 L31 D32 K244F30-I242 HydrophobicContact CE1-CD1 3.81Å; F30-I242 HydrophobicContact CE1-CG1 4.29Å; F30-I242 HydrophobicContact CE2-CG1 4.47Å; F30-I242 HydrophobicContact CZ-CD1 3.59Å; F30-I242 HydrophobicContact CZ-CG1 3.9Å; L31-I242 PolarHBondContact O-N 3.26Å; D32-I242 HydrophobicContact CB-CD1 3.87Å; D32-I242 HydrophobicContact CB-CG1 4.42Å; I242-K244 HydrophobicContact CG2-CB 4.21Å; I242-K244 HydrophobicContact CG2-CD 3.81Å; I242-K244 HydrophobicContact CG2-CG 3.81Å
243L82.1Confident83.8Confident28 Ų2848.4 Ų48.415%0.14727%0.266CS..  trans-11490.5173.1-64.5172.8000108E33 M144 V156 F241 L247 M250E33-L243 HydrophobicContact CG-CD2 4.06Å; M144-L243 HydrophobicContact CE-CB 4.2Å; M144-L243 HydrophobicContact CE-CD1 4.31Å; V156-L243 HydrophobicContact CG1-CD1 4.09Å; F241-L243 HydrophobicContact CB-CG 4.4Å; F241-L243 PolarHBondContact O-N 2.81Å; L243-L247 HydrophobicContact CB-CD2 4.23Å; L243-L247 HydrophobicContact CD2-CD2 3.98Å; L243-M250 HydrophobicContact CD2-CE 4.17Å
244K71.1Confident83.4Confident130 Ų13047.3 Ų47.357%0.56526%0.257SS*.  trans-141.3124.8-179.5-68.7-178.9-179.6179.10109.6N34 I242N34-K244 PolarHBondContact ND2-O 2.94Å; N34-K244 PolarHBondContact OD1-O 2.92Å; I242-K244 HydrophobicContact CG2-CB 4.21Å; I242-K244 HydrophobicContact CG2-CD 3.81Å; I242-K244 HydrophobicContact CG2-CG 3.81Å
245D67.2Low82.7Confident121 Ų12149.4 Ų49.465%0.64727%0.267SS*.SBendtrans60.3141.6168-43.3-40.3000116.3L247D245-L247 VanDerWaalsContact C-N 3.27Å; D245-L247 PolarHBondContact O-N 3.16Å
246N69.2Low82.2Confident105 Ų10552.9 Ų52.956%0.56129%0.29SS*.  trans54.737.4176.7-168.725000114.5E146 S248 Y249E146-N246 PolarHBondContact OE1-N 3.37Å; E146-N246 VanDerWaalsContact OE2-C 3.26Å; E146-N246 WeakPolarHBondContact OE2-CA 3.41Å; E146-N246 PolarHBondContact OE2-N 3.19Å; N246-S248 PolarHBondContact O-N 3.41Å; N246-S248 PolarHBondContact O-OG 2.9Å; N246-S248 PolarHBondContact OD1-OG 3.28Å; N246-Y249 WeakPolarHBondContact O-CD1 3.3Å; N246-Y249 WeakPolarHBondContact O-CE1 3.48Å
247L81Confident81.6Confident11 Ų1150.1 Ų50.16%0.05827%0.27CS..G310 helixtrans-61.70.1175.9-65.3170.2000113.7M144 E146 I147 L243 D245 Y249 M250M144-L247 HydrophobicContact CB-CD1 4.12Å; M144-L247 HydrophobicContact CG-CD1 4.01Å; M144-L247 HydrophobicContact SD-CD1 3.59Å; M144-L247 VanDerWaalsContact SD-CD1 3.59Å; E146-L247 HydrophobicContact CB-CB 4.48Å; E146-L247 PolarHBondContact OE2-N 3.46Å; I147-L247 HydrophobicContact CD1-CB 4.1Å; I147-L247 HydrophobicContact CD1-CD1 4.33Å; I147-L247 HydrophobicContact CG1-CB 3.97Å; L243-L247 HydrophobicContact CB-CD2 4.23Å; L243-L247 HydrophobicContact CD2-CD2 3.98Å; D245-L247 VanDerWaalsContact C-N 3.27Å; D245-L247 PolarHBondContact O-N 3.16Å; L247-Y249 PolarHBondContact O-N 2.91Å; L247-M250 VanDerWaalsContact O-CB 3.23Å; L247-M250 WeakPolarHBondContact O-CB 3.2Å; L247-M250 WeakPolarHBondContact O-CG 3.21Å; L247-M250 PolarHBondContact O-N 3.15Å
248S77.9Confident80.7Confident61 Ų6151.4 Ų51.443%0.42728%0.279SS..G310 helixtrans-48.3-28.417272.30000114N246 M250 D251N246-S248 PolarHBondContact O-N 3.41Å; N246-S248 PolarHBondContact O-OG 2.9Å; N246-S248 PolarHBondContact OD1-OG 3.28Å; S248-M250 PolarHBondContact O-N 3.2Å; S248-D251 PolarHBondContact O-N 3.41Å; S248-D251 VanDerWaalsContact O-N 3.1Å
249Y79.2Confident79.7Confident19 Ų1952.7 Ų52.78%0.07528%0.279CS..G310 helixtrans-65.6-17.4174.754.5-105.1000114.1E33 N34 W37 N246 L247 D251 K252E33-Y249 HydrophobicContact CB-CE2 3.96Å; E33-Y249 VanDerWaalsContact CB-OH 3.3Å; E33-Y249 WeakPolarHBondContact CB-OH 3.4Å; N34-Y249 WeakPolarHBondContact OD1-CE1 3.25Å; N34-Y249 PolarHBondContact OD1-OH 3.41Å; W37-Y249 HydrophobicContact CB-CD2 4.41Å; W37-Y249 HydrophobicContact CB-CG 4.29Å; W37-Y249 AromaticContact CD1-CD2 3.11Å; W37-Y249 AromaticContact CD1-CE2 3.25Å; W37-Y249 AromaticContact CD1-CG 3.82Å; W37-Y249 HydrophobicContact CD2-CD2 4.26Å; W37-Y249 AromaticContact CG-CD2 3.71Å; W37-Y249 HydrophobicContact CG-CD2 3.71Å; W37-Y249 HydrophobicContact CG-CE2 4.22Å; W37-Y249 HydrophobicContact CG-CG 4.03Å; W37-Y249 AromaticContact NE1-CD2 3.37Å; W37-Y249 AromaticContact NE1-CE2 3.54Å; N246-Y249 WeakPolarHBondContact O-CD1 3.3Å; N246-Y249 WeakPolarHBondContact O-CE1 3.48Å; L247-Y249 PolarHBondContact O-N 2.91Å; Y249-D251 PolarHBondContact O-N 2.9Å; Y249-K252 WeakPolarHBondContact O-CB 3.37Å; Y249-K252 WeakPolarHBondContact O-CD 3.45Å; Y249-K252 VanDerWaalsContact O-CG 3.23Å; Y249-K252 WeakPolarHBondContact O-CG 3.28Å; Y249-K252 PolarHBondContact O-N 3.42Å
250M85.4Confident78.5Confident0 Ų057.1 Ų57.10%030%0.3CS..G310 helixtrans-65.6-28.3171.6-68-75.9149.200112E33 I147 G152 R155 V156 L243 L247 S248 K252E33-M250 HydrophobicContact CG-CE 4.35Å; E33-M250 VanDerWaalsContact OE2-CE 3.26Å; E33-M250 WeakPolarHBondContact OE2-CE 3.49Å; I147-M250 HydrophobicContact CD1-CB 4.33Å; I147-M250 HydrophobicContact CD1-CG 4.34Å; G152-M250 VanDerWaalsContact CA-O 3.25Å; G152-M250 WeakPolarHBondContact CA-O 3.34Å; R155-M250 HydrophobicContact CB-SD 3.53Å; R155-M250 VanDerWaalsContact CB-SD 3.53Å; R155-M250 WeakPolarHBondContact CD-O 3.38Å; R155-M250 PolarHBondContact NH1-O 3.5Å; V156-M250 HydrophobicContact CG2-CG 4.02Å; V156-M250 HydrophobicContact CG2-SD 4.05Å; L243-M250 HydrophobicContact CD2-CE 4.17Å; L247-M250 VanDerWaalsContact O-CB 3.23Å; L247-M250 WeakPolarHBondContact O-CB 3.2Å; L247-M250 WeakPolarHBondContact O-CG 3.21Å; L247-M250 PolarHBondContact O-N 3.15Å; S248-M250 PolarHBondContact O-N 3.2Å; M250-K252 PolarHBondContact O-N 2.89Å
251D84.7Confident77.2Confident33 Ų3355.8 Ų55.818%0.17629%0.29CS..G310 helixtrans-80.75.8-179.9-73.1-32.2000114.4R148 T149 S248 Y249R148-D251 WeakPolarHBondContact CB-OD2 3.43Å; R148-D251 PolarHBondContact N-OD1 3.12Å; R148-D251 PolarHBondContact N-OD2 3.31Å; T149-D251 WeakPolarHBondContact CA-OD1 3.44Å; T149-D251 VanDerWaalsContact CB-OD1 3.25Å; T149-D251 WeakPolarHBondContact CB-OD1 3.34Å; T149-D251 HydrophobicContact CG2-CB 3.91Å; T149-D251 WeakPolarHBondContact CG2-OD1 3.3Å; T149-D251 PolarHBondContact N-OD1 3.41Å; T149-D251 PolarHBondContact OG1-OD1 3.21Å; S248-D251 PolarHBondContact O-N 3.41Å; S248-D251 VanDerWaalsContact O-N 3.1Å; Y249-D251 PolarHBondContact O-N 2.9Å
252K83.5Confident76.1Confident73 Ų7356.8 Ų56.832%0.31729%0.294SS..SBendtrans-56.9156.5171.9-74.3172.2-175.6172.30111.5W37 R155 Y249 M250W37-K252 HydrophobicContact CE3-CD 4.04Å; W37-K252 HydrophobicContact CZ3-CD 4.03Å; R155-K252 PolarHBondContact NH1-O 3.28Å; Y249-K252 WeakPolarHBondContact O-CB 3.37Å; Y249-K252 WeakPolarHBondContact O-CD 3.45Å; Y249-K252 VanDerWaalsContact O-CG 3.23Å; Y249-K252 WeakPolarHBondContact O-CG 3.28Å; Y249-K252 PolarHBondContact O-N 3.42Å; M250-K252 PolarHBondContact O-N 2.89Å
253P81.9Confident75Confident70 Ų7060.1 Ų60.146%0.45531%0.312SS..PPolyproline II helixtrans-52.8163.6171.7-2734.7000114.2R155 H255R155-P253 PolarHBondContact NH2-O 3.1Å; P253-H255 PolarHBondContact O-N 2.84Å
254L82.9Confident73.7Confident37 Ų3763.7 Ų63.719%0.19433%0.328CS..PPolyproline II helixtrans-65.2127.9167-176.561.9000109.5E60 H61 C64 P118 L151E60-L254 HydrophobicContact CB-CD1 3.6Å; E60-L254 HydrophobicContact CG-CD1 4.49Å; E60-L254 WeakPolarHBondContact OE2-CD1 3.47Å; H61-L254 VanDerWaalsContact CE1-CD1 3.48Å; H61-L254 WeakPolarHBondContact CE1-CD1 3.38Å; H61-L254 VanDerWaalsContact CE1-CG 3.45Å; H61-L254 WeakPolarHBondContact CE1-CG 3.34Å; C64-L254 HydrophobicContact CB-CD2 4.12Å; P118-L254 HydrophobicContact CG-CD2 3.79Å; L151-L254 HydrophobicContact CD2-CB 4.04Å
255H78.5Confident72.9Confident46 Ų4660.2 Ų60.221%0.21332%0.323CS..PPolyproline II helixtrans-77.1129.1-172-70.5-74.2000112.9W37 W53 H61 P253 I257W37-H255 AromaticContact CH2-CD2 3.99Å; W37-H255 AromaticContact CH2-NE2 3.26Å; W37-H255 VanDerWaalsContact CH2-NE2 3.26Å; W37-H255 WeakPolarHBondContact CH2-NE2 3.27Å; W37-H255 AromaticContact CZ3-CE1 3.71Å; W37-H255 AromaticContact CZ3-NE2 3.3Å; W37-H255 VanDerWaalsContact CZ3-NE2 3.3Å; W37-H255 WeakPolarHBondContact CZ3-NE2 3.46Å; W53-H255 HydrophobicContact CH2-CB 4.17Å; W53-H255 HydrophobicContact CZ2-CB 4Å; W53-H255 AromaticContact CZ2-CG 3.73Å; H61-H255 PolarHBondContact CE1-O 3.15Å; H61-H255 PolarHBondContact NE2-O 2.76Å; P253-H255 PolarHBondContact O-N 2.84Å; H255-I257 PolarHBondContact O-N 2.84Å; H255-I257 VanDerWaalsContact O-N 3.11Å
256V79.1Confident72.1Confident134 Ų13458.9 Ų58.981%0.81232%0.316SS*.PPolyproline II helixtrans-60.7118.9175.9-177.50000110.4P258V256-P258 WeakPolarHBondContact O-CD 3.33Å
257I77.3Confident71.2Confident7 Ų758.5 Ų58.54%0.03631%0.313CS..PPolyproline II helixtrans-65120174.3-69175.5000109.3L8 I11 V58 H61 H255 Y259 Y262L8-I257 HydrophobicContact CD2-CD1 3.67Å; I11-I257 HydrophobicContact CD1-CG2 3.77Å; V58-I257 HydrophobicContact CG2-CD1 3.97Å; V58-I257 HydrophobicContact CG2-CG1 4.49Å; H61-I257 HydrophobicContact CB-CD1 3.88Å; H61-I257 VanDerWaalsContact CG-CD1 3.41Å; H255-I257 PolarHBondContact O-N 2.84Å; H255-I257 VanDerWaalsContact O-N 3.11Å; I257-Y259 HydrophobicContact CG2-CD1 4.49Å; I257-Y259 HydrophobicContact CG2-CE1 4.38Å; I257-Y259 WeakPolarHBondContact O-CD2 3.45Å; I257-Y259 PolarHBondContact O-N 2.86Å; I257-Y262 HydrophobicContact CG2-CD2 4.32Å; I257-Y262 HydrophobicContact CG2-CE2 3.8Å
258P70.1Confident69.8Low28 Ų2863.7 Ų63.718%0.18234%0.341CS..  trans-82.283.3-177.131.8-32.5000110.4V43 V256 H260 V261V43-P258 HydrophobicContact CG1-CB 4.37Å; V43-P258 HydrophobicContact CG1-CG 3.63Å; V256-P258 WeakPolarHBondContact O-CD 3.33Å; P258-H260 PolarHBondContact O-N 2.87Å; P258-V261 HydrophobicContact CB-CG2 4.08Å; P258-V261 HydrophobicContact CG-CG2 3.97Å; P258-V261 WeakPolarHBondContact O-CB 3.23Å; P258-V261 PolarHBondContact O-N 3.35Å
259Y70.3Confident68.5Low96 Ų9670.3 Ų70.338%0.37636%0.357SS..Hα-helixtrans-50-31.6-175.4-73.3-72.9000114.9N7 I11 I257 V261 Y262 L263N7-Y259 HydrophobicContact CB-CE1 4.03Å; I11-Y259 HydrophobicContact CD1-CD1 3.83Å; I11-Y259 HydrophobicContact CD1-CE1 3.71Å; I257-Y259 HydrophobicContact CG2-CD1 4.49Å; I257-Y259 HydrophobicContact CG2-CE1 4.38Å; I257-Y259 WeakPolarHBondContact O-CD2 3.45Å; I257-Y259 PolarHBondContact O-N 2.86Å; Y259-V261 PolarHBondContact O-N 3.47Å; Y259-Y262 PolarHBondContact O-N 3.13Å; Y259-Y262 VanDerWaalsContact O-N 3.07Å; Y259-L263 WeakPolarHBondContact O-CG 3.46Å; Y259-L263 PolarHBondContact O-N 3.49Å
260H66.5Low66.9Low103 Ų10374.8 Ų74.848%0.47738%0.382SS..Hα-helixtrans-56.7-35.6178.868.6-100.4000113.2P258 Y262 L263 Q264P258-H260 PolarHBondContact O-N 2.87Å; H260-Y262 VanDerWaalsContact C-N 3.26Å; H260-Y262 PolarHBondContact O-N 2.99Å; H260-L263 PolarHBondContact O-N 3.02Å; H260-Q264 WeakPolarHBondContact O-CB 3.29Å; H260-Q264 PolarHBondContact O-N 3.23Å
261V62Low65.2Low25 Ų2582.2 Ų82.215%0.15242%0.416CS..Hα-helixtrans-61.5-37.1178.8-177.20000111.1V43 P258 Y259V43-V261 HydrophobicContact CG1-CG2 3.85Å; P258-V261 HydrophobicContact CB-CG2 4.08Å; P258-V261 HydrophobicContact CG-CG2 3.97Å; P258-V261 WeakPolarHBondContact O-CB 3.23Å; P258-V261 PolarHBondContact O-N 3.35Å; Y259-V261 PolarHBondContact O-N 3.47Å
262Y65.4Low63.5Low28 Ų2890 Ų9011%0.1145%0.448CS..Hα-helixtrans-85.9-26.1-179.9-52.9-77.2000112.5I11 L14 V15 I257 Y259 H260I11-Y262 HydrophobicContact CD1-CD2 3.73Å; I11-Y262 HydrophobicContact CD1-CE2 4.1Å; I11-Y262 HydrophobicContact CD1-CG 4.04Å; I11-Y262 HydrophobicContact CG1-CD1 4.03Å; I11-Y262 HydrophobicContact CG1-CD2 3.96Å; I11-Y262 HydrophobicContact CG1-CE1 4.46Å; I11-Y262 HydrophobicContact CG1-CE2 4.39Å; I11-Y262 HydrophobicContact CG1-CG 3.75Å; I11-Y262 HydrophobicContact CG2-CD1 4.07Å; I11-Y262 HydrophobicContact CG2-CD2 4.42Å; I11-Y262 HydrophobicContact CG2-CE1 3.66Å; I11-Y262 HydrophobicContact CG2-CE2 4.04Å; I11-Y262 HydrophobicContact CG2-CG 4.43Å; L14-Y262 HydrophobicContact CD1-CD1 3.95Å; V15-Y262 HydrophobicContact CG2-CE1 3.9Å; I257-Y262 HydrophobicContact CG2-CD2 4.32Å; I257-Y262 HydrophobicContact CG2-CE2 3.8Å; Y259-Y262 PolarHBondContact O-N 3.13Å; Y259-Y262 VanDerWaalsContact O-N 3.07Å; H260-Y262 VanDerWaalsContact C-N 3.26Å; H260-Y262 PolarHBondContact O-N 2.99Å
263L60.4Low61.6Low108 Ų10893 Ų9357%0.56547%0.467SS*.Hα-helixtrans-72.7-37.1172.9-69.4170000112.4Y259 H260 A265 N266 L267Y259-L263 WeakPolarHBondContact O-CG 3.46Å; Y259-L263 PolarHBondContact O-N 3.49Å; H260-L263 PolarHBondContact O-N 3.02Å; L263-A265 PolarHBondContact O-N 3.26Å; L263-N266 PolarHBondContact O-N 2.94Å; L263-L267 PolarHBondContact O-N 3.44Å; L263-L267 VanDerWaalsContact O-N 3.17Å
264Q55Low59.7Low103 Ų103100 Ų10048%0.48149%0.486SS..Hα-helixtrans-64.4-29.7-178.5-156.5163.810.300112.3H260 N266 L267 N268H260-Q264 WeakPolarHBondContact O-CB 3.29Å; H260-Q264 PolarHBondContact O-N 3.23Å; Q264-N266 PolarHBondContact O-N 3.43Å; Q264-L267 PolarHBondContact O-N 3.05Å; Q264-N268 PolarHBondContact O-N 3Å
265A52.6Low57.4Low57 Ų57103.6 Ų103.647%0.47151%0.514SS..Hα-helixtrans-63.3-17.9170.400000114.5L263L263-A265 PolarHBondContact O-N 3.26Å
266N51.8Low55.5Low92 Ų92108.2 Ų108.249%0.49255%0.546SS..Hα-helixtrans-99.9-25.6172.5-89.3-35.7000113.5L263 Q264 N268 R269L263-N266 PolarHBondContact O-N 2.94Å; Q264-N266 PolarHBondContact O-N 3.43Å; N266-N268 VanDerWaalsContact C-N 3.31Å; N266-N268 PolarHBondContact O-N 3.43Å; N266-R269 WeakPolarHBondContact O-CB 3.4Å; N266-R269 PolarHBondContact O-N 3.07Å
267L50.1Low53.6Low97 Ų97108.5 Ų108.551%0.50855%0.547SS..Hα-helixtrans-60.3-41.4175.3-86.8159.5000111.8L263 Q264 R269 L270 E271L263-L267 PolarHBondContact O-N 3.44Å; L263-L267 VanDerWaalsContact O-N 3.17Å; Q264-L267 PolarHBondContact O-N 3.05Å; L267-R269 PolarHBondContact O-N 3.35Å; L267-L270 PolarHBondContact O-N 2.74Å; L267-E271 PolarHBondContact O-N 3.36Å
268N51.5Low51.6Low121 Ų121115.5 Ų115.565%0.64759%0.585SS**Hα-helixtrans-62.9-6.5174.7-653.8000114.2Q264 N266Q264-N268 PolarHBondContact O-N 3Å; N266-N268 VanDerWaalsContact C-N 3.31Å; N266-N268 PolarHBondContact O-N 3.43Å
269R49.8Very low50.1Low199 Ų199121.8 Ų121.875%0.75162%0.616SS**Hα-helixtrans-98.5-15.2170.9-83.4177.3150.1-167.2-8.1113.9N266 L267N266-R269 WeakPolarHBondContact O-CB 3.4Å; N266-R269 PolarHBondContact O-N 3.07Å; L267-R269 PolarHBondContact O-N 3.35Å
270L45.9Very low48.4Very low114 Ų114123.8 Ų123.860%0.59764%0.642SS**Hα-helixtrans-98.1-31.2-173-92.8150.8000114L267 K272L267-L270 PolarHBondContact O-N 2.74Å; L270-K272 PolarHBondContact O-N 2.97Å
271E49.3Very low47Very low156 Ų156130.9 Ų130.973%0.72967%0.665SS**G310 helixtrans-65.5-12.3-176.4-66.5-173.9133.200114.7L267 L273L267-E271 PolarHBondContact O-N 3.36Å; E271-L273 PolarHBondContact O-N 2.71Å
272K49.2Very low46.5Very low196 Ų196135.1 Ų135.185%0.85269%0.693SS**G310 helixtrans-76.89.2-178.8-89.3-173.1173-178.60116L270L270-K272 PolarHBondContact O-N 2.97Å
273L44.5Very low45.1Very low135 Ų135141.2 Ų141.271%0.70773%0.733SS**G310 helixtrans-125.4-0.4-164.2-76.7167.3000117.5E271E271-L273 PolarHBondContact O-N 2.71Å
274Y40.8Very low44.5Very low217 Ų217143.5 Ų143.585%0.85175%0.746SS**  trans-131.931.8-151.4-122.5-81.7000119.9
275S36Very low43.5Very low113 Ų113146.6 Ų146.679%0.7977%0.765SS**  trans-141.889.4-172.263.30000118.4
276V38.9Very low43Very low144 Ų144149.5 Ų149.587%0.87378%0.782SS**  trans-155.3152.8167.3-156.60000113
277V37.3Very low42.5Very low139 Ų139150.7 Ų150.784%0.84280%0.798SS**  trans100.1153.5162.1-169.40000119.3
278N35.7Very low42Very low154 Ų154151.4 Ų151.482%0.82481%0.811SS**  trans-145.7-172.5-152.7-116.5-28.7000118
279L38.2Very low41.7Very low161 Ų161152.5 Ų152.584%0.84382%0.815SS**  trans-125.1166.3-168.2-70.484.9000118.5
280C34.7Very low41.7Very low137 Ų137150 Ų15093%0.92682%0.816SS**  trans169.4178.8138.1-96.80000119.5
281R37.2Very low42Very low253 Ų253151.5 Ų151.596%0.95582%0.82SS**  trans-154.2175-172.4-101.6-163.4176.2-168.90.4118.7
282P51.3Low42.1Very low114 Ų114152 Ų15274%0.7482%0.82SS**  trans-129.8-172.5-165.946.6-33.8000120.4
283T37.3Very low42.5Very low156 Ų156148.6 Ų148.696%0.95781%0.811SS**  trans-157.8-176.1174.68.20000118.9
284D48Very low43.2Very low155 Ų155149.1 Ų149.183%0.82981%0.808SS**  trans-155.9167-150.1-179.133.1000117.9
285L34.2Very low44Very low168 Ų168141.1 Ų141.188%0.8878%0.78SS**  trans-172165.9166.8-146.462.8000119.3
286S41.5Very low45.3Very low119 Ų119142.6 Ų142.683%0.83277%0.774SS**  trans-155.9176.5-176.570.60000119.8
287S41Very low46.5Very low117 Ų117141.7 Ų141.782%0.81876%0.764SS**  trans-169.6-178.3162.267.90000110.9
288S38.9Very low47.8Very low112 Ų112138 Ų13878%0.78374%0.74SS**  cis-160.9-174.70.8-160.10000111.9
289I45.5Very low49.4Very low144 Ų144133.9 Ų133.974%0.73872%0.722SS**  trans-147.9147.8-169-50.4175.7000115.7
290D50.3Low51.1Low145 Ų145130.6 Ų130.678%0.77571%0.705SS**  trans168.6123.9132.3-93.5-16.8000116.4
291Q52.3Low53.2Low146 Ų146128.8 Ų128.868%0.68269%0.69SS**  trans-140.474.9174.4-75.4-171.8-46.400112.2D293 L295Q291-D293 PolarHBondContact O-N 2.89Å; Q291-L295 VanDerWaalsContact O-CB 3.3Å; Q291-L295 WeakPolarHBondContact O-CB 3.38Å; Q291-L295 WeakPolarHBondContact O-CG 3.33Å; Q291-L295 PolarHBondContact O-N 2.97Å; Q291-L295 VanDerWaalsContact O-N 3.09Å
292K51.5Low55Low166 Ų166119.9 Ų119.972%0.72266%0.661SS**THydrogen-bonded Turntrans-56.8-43.4-153.2-168-175.4170.5-163.90118.7L295 E296K292-L295 WeakPolarHBondContact O-CB 3.35Å; K292-L295 PolarHBondContact O-N 3.48Å; K292-E296 PolarHBondContact O-N 3.19Å
293D57Low56.5Low126 Ų126120.7 Ų120.767%0.67465%0.653SS**THydrogen-bonded Turntrans-90.5-34.6-166.7-55.3-19.1000111.9Q291 L295 E296Q291-D293 PolarHBondContact O-N 2.89Å; D293-L295 PolarHBondContact O-N 2.67Å; D293-E296 PolarHBondContact O-N 3.44Å
294F59.2Low58.6Low146 Ų146120.5 Ų120.564%0.6464%0.639SS**Hα-helixtrans-60.6-34.6162.1177.4-106.7000110.9E296 L298F294-E296 PolarHBondContact O-N 3.16Å; F294-L298 HydrophobicContact CD1-CD2 4.32Å; F294-L298 HydrophobicContact CE1-CD2 3.91Å; F294-L298 WeakPolarHBondContact O-CB 3.25Å; F294-L298 PolarHBondContact O-N 2.9Å; F294-L298 VanDerWaalsContact O-N 3.09Å
295L57.6Low60.3Low48 Ų48122.1 Ų122.125%0.25163%0.633SS.*Hα-helixtrans-60.6-16.5171.8-90.2169000113.7Q291 K292 D293 L298 C299Q291-L295 VanDerWaalsContact O-CB 3.3Å; Q291-L295 WeakPolarHBondContact O-CB 3.38Å; Q291-L295 WeakPolarHBondContact O-CG 3.33Å; Q291-L295 PolarHBondContact O-N 2.97Å; Q291-L295 VanDerWaalsContact O-N 3.09Å; K292-L295 WeakPolarHBondContact O-CB 3.35Å; K292-L295 PolarHBondContact O-N 3.48Å; D293-L295 PolarHBondContact O-N 2.67Å; L295-L298 HydrophobicContact CD2-CD2 4.28Å; L295-C299 WeakPolarHBondContact O-CA 3.43Å; L295-C299 WeakPolarHBondContact O-CB 3.29Å; L295-C299 PolarHBondContact O-N 2.82Å; L295-C299 PolarHBondContact O-SG 3Å
296E63.4Low62.6Low144 Ų144118.2 Ų118.267%0.67361%0.613SS**Hα-helixtrans-85-47.1-176.4-162.6162.7-116.400113.2K292 D293 F294 L298 C299 N300K292-E296 PolarHBondContact O-N 3.19Å; D293-E296 PolarHBondContact O-N 3.44Å; F294-E296 PolarHBondContact O-N 3.16Å; E296-L298 VanDerWaalsContact C-N 3.35Å; E296-C299 WeakPolarHBondContact O-CA 3.47Å; E296-C299 VanDerWaalsContact O-CB 3.25Å; E296-C299 WeakPolarHBondContact O-CB 3.43Å; E296-C299 PolarHBondContact O-N 3.14Å; E296-C299 VanDerWaalsContact O-N 3.1Å; E296-N300 PolarHBondContact O-N 3.29Å
297D65.1Low64.7Low125 Ų125116.9 Ų116.967%0.66860%0.596SS**Hα-helixtrans-69.6-35.7169.1-105.1-20.9000111.5C299 N300 V301D297-C299 VanDerWaalsContact C-N 3.26Å; D297-C299 PolarHBondContact O-N 3.25Å; D297-N300 PolarHBondContact O-N 3.27Å; D297-N300 VanDerWaalsContact O-N 3.13Å; D297-V301 PolarHBondContact O-N 3Å; D297-V301 VanDerWaalsContact O-N 3.13Å
298L64Low66.8Low63 Ų63120.6 Ų120.633%0.3359%0.592SS.*Hα-helixtrans-61.3-36.9167.6-167.770.8000110.4F294 L295 E296 N300 V301 L302F294-L298 HydrophobicContact CD1-CD2 4.32Å; F294-L298 HydrophobicContact CE1-CD2 3.91Å; F294-L298 WeakPolarHBondContact O-CB 3.25Å; F294-L298 PolarHBondContact O-N 2.9Å; F294-L298 VanDerWaalsContact O-N 3.09Å; L295-L298 HydrophobicContact CD2-CD2 4.28Å; E296-L298 VanDerWaalsContact C-N 3.35Å; L298-N300 VanDerWaalsContact C-N 3.33Å; L298-N300 PolarHBondContact O-N 2.85Å; L298-V301 PolarHBondContact O-N 3.01Å; L298-L302 HydrophobicContact CD2-CD1 4.13Å; L298-L302 HydrophobicContact CG-CD1 3.8Å; L298-L302 HydrophobicContact CG-CG 4.07Å; L298-L302 WeakPolarHBondContact O-CA 3.43Å; L298-L302 WeakPolarHBondContact O-CB 3.27Å; L298-L302 WeakPolarHBondContact O-CG 3.39Å; L298-L302 PolarHBondContact O-N 3.41Å
299C68.2Low69Low67 Ų67119.8 Ų119.845%0.45358%0.576SS.*Hα-helixtrans-61.4-37.3172.3-900000112.2L295 E296 D297 K303L295-C299 WeakPolarHBondContact O-CA 3.43Å; L295-C299 WeakPolarHBondContact O-CB 3.29Å; L295-C299 PolarHBondContact O-N 2.82Å; L295-C299 PolarHBondContact O-SG 3Å; E296-C299 WeakPolarHBondContact O-CA 3.47Å; E296-C299 VanDerWaalsContact O-CB 3.25Å; E296-C299 WeakPolarHBondContact O-CB 3.43Å; E296-C299 PolarHBondContact O-N 3.14Å; E296-C299 VanDerWaalsContact O-N 3.1Å; D297-C299 VanDerWaalsContact C-N 3.26Å; D297-C299 PolarHBondContact O-N 3.25Å; C299-K303 WeakPolarHBondContact O-CB 3.4Å; C299-K303 PolarHBondContact O-N 3.25Å
300N75.5Confident71Confident91 Ų91116.5 Ų116.549%0.48756%0.56SS.*Hα-helixtrans-67-39.6176.1-77.7-44.5000112.7E296 D297 L298 K304E296-N300 PolarHBondContact O-N 3.29Å; D297-N300 PolarHBondContact O-N 3.27Å; D297-N300 VanDerWaalsContact O-N 3.13Å; L298-N300 VanDerWaalsContact C-N 3.33Å; L298-N300 PolarHBondContact O-N 2.85Å; N300-K304 PolarHBondContact O-N 2.97Å
301V78Confident72.7Confident100 Ų100111.4 Ų111.461%0.60654%0.538SS*.Hα-helixtrans-71.8-43.1174.7177.10000111.3D297 L298 K303 K304 R305D297-V301 PolarHBondContact O-N 3Å; D297-V301 VanDerWaalsContact O-N 3.13Å; L298-V301 PolarHBondContact O-N 3.01Å; V301-K303 VanDerWaalsContact C-N 3.32Å; V301-K303 PolarHBondContact O-N 3.03Å; V301-K304 PolarHBondContact O-N 3.36Å; V301-R305 PolarHBondContact O-N 3.44Å
302L75.1Confident74.4Confident66 Ų66107.2 Ų107.235%0.34652%0.522SS..Hα-helixtrans-60.6-40.3173.9-75.7170.4000110.7L298 K304 R305 I306L298-L302 HydrophobicContact CD2-CD1 4.13Å; L298-L302 HydrophobicContact CG-CD1 3.8Å; L298-L302 HydrophobicContact CG-CG 4.07Å; L298-L302 WeakPolarHBondContact O-CA 3.43Å; L298-L302 WeakPolarHBondContact O-CB 3.27Å; L298-L302 WeakPolarHBondContact O-CG 3.39Å; L298-L302 PolarHBondContact O-N 3.41Å; L302-K304 PolarHBondContact O-N 2.78Å; L302-R305 CarbonylContact O-C 3.59Å; L302-R305 WeakPolarHBondContact O-CA 3.43Å; L302-R305 WeakPolarHBondContact O-CB 3.3Å; L302-R305 PolarHBondContact O-N 3.11Å; L302-I306 HydrophobicContact CB-CD1 4.26Å; L302-I306 VanDerWaalsContact O-CB 3.29Å; L302-I306 WeakPolarHBondContact O-CB 3.26Å; L302-I306 WeakPolarHBondContact O-CD1 3.45Å; L302-I306 WeakPolarHBondContact O-CG1 3.25Å; L302-I306 PolarHBondContact O-N 3.13Å
303K82Confident76.1Confident131 Ų131102.2 Ų102.257%0.5750%0.504SS*.Hα-helixtrans-59-49.9177.8-168.6169-172.3173.50111C299 V301 R305 I306 D307C299-K303 WeakPolarHBondContact O-CB 3.4Å; C299-K303 PolarHBondContact O-N 3.25Å; V301-K303 VanDerWaalsContact C-N 3.32Å; V301-K303 PolarHBondContact O-N 3.03Å; K303-R305 PolarHBondContact O-N 3.49Å; K303-I306 CarbonylContact O-C 3.53Å; K303-I306 WeakPolarHBondContact O-CB 3.47Å; K303-I306 PolarHBondContact O-N 2.85Å; K303-I306 VanDerWaalsContact O-N 3.13Å; K303-D307 PolarHBondContact O-N 3.25Å; K303-D307 VanDerWaalsContact O-OD2 3.11Å
304K83.1Confident77.6Confident152 Ų152102.3 Ų102.366%0.66150%0.5SS*.Hα-helixtrans-61.3-29.8172.9-69.4177.8-179.71720113.6N300 V301 L302 R308N300-K304 PolarHBondContact O-N 2.97Å; V301-K304 PolarHBondContact O-N 3.36Å; L302-K304 PolarHBondContact O-N 2.78Å; K304-R308 WeakPolarHBondContact O-CG 3.49Å; K304-R308 PolarHBondContact O-N 2.88Å
305R82.6Confident79Confident188 Ų188102.8 Ų102.871%0.70950%0.497SS*.Hα-helixtrans-77.9-36175.1-168.3171.7-177.3148.60.2112.2V301 L302 K303 R308 Q309V301-R305 PolarHBondContact O-N 3.44Å; L302-R305 CarbonylContact O-C 3.59Å; L302-R305 WeakPolarHBondContact O-CA 3.43Å; L302-R305 WeakPolarHBondContact O-CB 3.3Å; L302-R305 PolarHBondContact O-N 3.11Å; K303-R305 PolarHBondContact O-N 3.49Å; R305-R308 PolarHBondContact O-N 3.35Å; R305-Q309 WeakPolarHBondContact O-CB 3.49Å; R305-Q309 PolarHBondContact O-N 3.47Å
306I83.6Confident80.5Confident87 Ų87104.2 Ų104.245%0.44651%0.505SS..Hα-helixtrans-67.1-43.5173.7-74.2162.5000109.3L302 K303 R308 Q309 N310L302-I306 HydrophobicContact CB-CD1 4.26Å; L302-I306 VanDerWaalsContact O-CB 3.29Å; L302-I306 WeakPolarHBondContact O-CB 3.26Å; L302-I306 WeakPolarHBondContact O-CD1 3.45Å; L302-I306 WeakPolarHBondContact O-CG1 3.25Å; L302-I306 PolarHBondContact O-N 3.13Å; K303-I306 CarbonylContact O-C 3.53Å; K303-I306 WeakPolarHBondContact O-CB 3.47Å; K303-I306 PolarHBondContact O-N 2.85Å; K303-I306 VanDerWaalsContact O-N 3.13Å; I306-R308 VanDerWaalsContact C-N 3.34Å; I306-R308 PolarHBondContact O-N 2.89Å; I306-Q309 CarbonylContact O-C 3.57Å; I306-Q309 PolarHBondContact O-N 2.88Å; I306-N310 WeakPolarHBondContact CG2-ND2 3.25Å; I306-N310 VanDerWaalsContact O-CB 3.23Å; I306-N310 WeakPolarHBondContact O-CB 3.39Å; I306-N310 PolarHBondContact O-N 3.27Å; I306-N310 PolarHBondContact O-ND2 3.07Å
307D84.8Confident81.8Confident90 Ų90101.7 Ų101.748%0.48150%0.496SS..Hα-helixtrans-60.1-43.7175.4-63.4-32.8000111.3K303 N310 A311K303-D307 PolarHBondContact O-N 3.25Å; K303-D307 VanDerWaalsContact O-OD2 3.11Å; D307-N310 PolarHBondContact O-N 2.75Å; D307-A311 PolarHBondContact O-N 2.99Å
308R84.9Confident83Confident195 Ų195101 Ų10174%0.73649%0.493SS*.Hα-helixtrans-64.7-44.2172.8-75.5176.8175.1161.5-1.6112.3K304 R305 I306 N310 A311 V312K304-R308 WeakPolarHBondContact O-CG 3.49Å; K304-R308 PolarHBondContact O-N 2.88Å; R305-R308 PolarHBondContact O-N 3.35Å; I306-R308 VanDerWaalsContact C-N 3.34Å; I306-R308 PolarHBondContact O-N 2.89Å; R308-N310 VanDerWaalsContact C-N 3.31Å; R308-N310 PolarHBondContact O-N 2.81Å; R308-A311 PolarHBondContact O-N 3.04Å; R308-V312 WeakPolarHBondContact O-CG2 3.35Å; R308-V312 PolarHBondContact O-N 3.48Å; R308-V312 VanDerWaalsContact O-N 3.07Å
309Q85.6Confident84.3Confident96 Ų96103.5 Ų103.545%0.44950%0.502SS..Hα-helixtrans-66.2-35177.8-169.760.949.600111.3R305 I306 V312 N313R305-Q309 WeakPolarHBondContact O-CB 3.49Å; R305-Q309 PolarHBondContact O-N 3.47Å; I306-Q309 CarbonylContact O-C 3.57Å; I306-Q309 PolarHBondContact O-N 2.88Å; Q309-V312 CarbonylContact O-C 3.59Å; Q309-V312 PolarHBondContact O-N 3.4Å; Q309-N313 PolarHBondContact NE2-OD1 2.82Å; Q309-N313 VanDerWaalsContact O-CB 3.31Å; Q309-N313 WeakPolarHBondContact O-CB 3.5Å; Q309-N313 PolarHBondContact O-N 3.25Å; Q309-N313 PolarHBondContact O-OD1 3.49Å
310N87.3Confident85.3Confident74 Ų74104.8 Ų104.840%0.39650%0.504SS..Hα-helixtrans-65.5-40.9173.8-72.6-20.4000110.8I306 D307 R308 V312 N313 Q314I306-N310 WeakPolarHBondContact CG2-ND2 3.25Å; I306-N310 VanDerWaalsContact O-CB 3.23Å; I306-N310 WeakPolarHBondContact O-CB 3.39Å; I306-N310 PolarHBondContact O-N 3.27Å; I306-N310 PolarHBondContact O-ND2 3.07Å; D307-N310 PolarHBondContact O-N 2.75Å; R308-N310 VanDerWaalsContact C-N 3.31Å; R308-N310 PolarHBondContact O-N 2.81Å; N310-V312 PolarHBondContact O-N 2.87Å; N310-N313 PolarHBondContact O-N 2.93Å; N310-Q314 VanDerWaalsContact O-CB 3.32Å; N310-Q314 WeakPolarHBondContact O-CB 3.41Å; N310-Q314 VanDerWaalsContact O-CG 3.28Å; N310-Q314 WeakPolarHBondContact O-CG 3.44Å; N310-Q314 PolarHBondContact O-N 2.91Å
311A86.4Confident86Confident39 Ų39103.9 Ų103.932%0.32250%0.501SS..Hα-helixtrans-70.8-14.9173.500000114.3D307 R308 R315D307-A311 PolarHBondContact O-N 2.99Å; R308-A311 PolarHBondContact O-N 3.04Å; A311-R315 PolarHBondContact O-NE 2.88Å; A311-R315 PolarHBondContact O-NH2 3.16Å
312V88.4Confident86.7Confident58 Ų58103.2 Ų103.235%0.35249%0.494SS..Hα-helixtrans-88.1-47.2168171.60000110.2R308 Q309 N310 Q314 R315 L316R308-V312 WeakPolarHBondContact O-CG2 3.35Å; R308-V312 PolarHBondContact O-N 3.48Å; R308-V312 VanDerWaalsContact O-N 3.07Å; Q309-V312 CarbonylContact O-C 3.59Å; Q309-V312 PolarHBondContact O-N 3.4Å; N310-V312 PolarHBondContact O-N 2.87Å; V312-Q314 VanDerWaalsContact C-N 3.29Å; V312-Q314 PolarHBondContact O-N 3.36Å; V312-R315 WeakPolarHBondContact O-CA 3.4Å; V312-R315 WeakPolarHBondContact O-CB 3.49Å; V312-R315 PolarHBondContact O-N 2.99Å; V312-L316 HydrophobicContact CG1-CD1 3.97Å; V312-L316 HydrophobicContact CG1-CG 4.4Å; V312-L316 PolarHBondContact O-N 3.33Å
313N85.5Confident87.5Confident61 Ų61105 Ų10533%0.32650%0.504SS..Hα-helixtrans-59.8-36.7176.7-67.4-3.1000111.6Q309 N310 L316 N317Q309-N313 PolarHBondContact NE2-OD1 2.82Å; Q309-N313 VanDerWaalsContact O-CB 3.31Å; Q309-N313 WeakPolarHBondContact O-CB 3.5Å; Q309-N313 PolarHBondContact O-N 3.25Å; Q309-N313 PolarHBondContact O-OD1 3.49Å; N310-N313 PolarHBondContact O-N 2.93Å; N313-L316 PolarHBondContact O-N 3.07Å; N313-N317 WeakPolarHBondContact O-CB 3.46Å; N313-N317 PolarHBondContact O-N 3.38Å; N313-N317 PolarHBondContact O-ND2 3.27Å; N313-N317 PolarHBondContact O-OD1 3.49Å
314Q89Confident87.9Confident127 Ų127101.1 Ų101.159%0.59349%0.493SS*.Hα-helixtrans-63.8-38.8172.3-79.6176.9-10.800112.2N310 V312 N318N310-Q314 VanDerWaalsContact O-CB 3.32Å; N310-Q314 WeakPolarHBondContact O-CB 3.41Å; N310-Q314 VanDerWaalsContact O-CG 3.28Å; N310-Q314 WeakPolarHBondContact O-CG 3.44Å; N310-Q314 PolarHBondContact O-N 2.91Å; V312-Q314 VanDerWaalsContact C-N 3.29Å; V312-Q314 PolarHBondContact O-N 3.36Å; Q314-N318 WeakPolarHBondContact O-CB 3.19Å; Q314-N318 PolarHBondContact O-N 3.44Å; Q314-N318 PolarHBondContact O-ND2 2.98Å; Q314-N318 PolarHBondContact O-OD1 3.12Å
315R89.6Confident88.4Confident157 Ų157101 Ų10159%0.59249%0.493SS*.Hα-helixtrans-68.6-46.7174.9-83.2-179.9-84.3-172.9-6111.5A311 V312 N317 N318 E319A311-R315 PolarHBondContact O-NE 2.88Å; A311-R315 PolarHBondContact O-NH2 3.16Å; V312-R315 WeakPolarHBondContact O-CA 3.4Å; V312-R315 WeakPolarHBondContact O-CB 3.49Å; V312-R315 PolarHBondContact O-N 2.99Å; R315-N317 VanDerWaalsContact C-N 3.31Å; R315-N317 PolarHBondContact O-N 2.87Å; R315-N318 WeakPolarHBondContact O-CB 3.44Å; R315-N318 PolarHBondContact O-N 3.12Å; R315-N318 VanDerWaalsContact O-N 3.12Å; R315-E319 PolarHBondContact O-N 3.46Å
316L89.4Confident88.9Confident77 Ų7796.8 Ų96.840%0.40348%0.481SS..Hα-helixtrans-60.7-38.6174-68.4171.9000111.9V312 N313 E319 I320V312-L316 HydrophobicContact CG1-CD1 3.97Å; V312-L316 HydrophobicContact CG1-CG 4.4Å; V312-L316 PolarHBondContact O-N 3.33Å; N313-L316 PolarHBondContact O-N 3.07Å; L316-E319 PolarHBondContact O-N 3.11Å; L316-I320 VanDerWaalsContact O-CB 3.28Å; L316-I320 WeakPolarHBondContact O-CB 3.32Å; L316-I320 WeakPolarHBondContact O-CD1 3.34Å; L316-I320 WeakPolarHBondContact O-CG1 3.47Å; L316-I320 PolarHBondContact O-N 3.26Å
317N89.3Confident89.2Confident92 Ų9296.9 Ų96.949%0.49248%0.481SS..Hα-helixtrans-66.9-35.7174.6-73.2-14.9000112.1N313 R315 T321N313-N317 WeakPolarHBondContact O-CB 3.46Å; N313-N317 PolarHBondContact O-N 3.38Å; N313-N317 PolarHBondContact O-ND2 3.27Å; N313-N317 PolarHBondContact O-OD1 3.49Å; R315-N317 VanDerWaalsContact C-N 3.31Å; R315-N317 PolarHBondContact O-N 2.87Å; N317-T321 WeakPolarHBondContact O-CB 3.49Å; N317-T321 VanDerWaalsContact O-CG2 3.3Å; N317-T321 WeakPolarHBondContact O-CG2 3.32Å; N317-T321 PolarHBondContact O-N 3.46Å; N317-T321 PolarHBondContact O-OG1 2.79Å
318N90.4Very high89.6Confident111 Ų11197.3 Ų97.359%0.59448%0.48SS*.Hα-helixtrans-67.9-38.6173.3-70.1-13.5000111.6Q314 R315 T321 N322Q314-N318 WeakPolarHBondContact O-CB 3.19Å; Q314-N318 PolarHBondContact O-N 3.44Å; Q314-N318 PolarHBondContact O-ND2 2.98Å; Q314-N318 PolarHBondContact O-OD1 3.12Å; R315-N318 WeakPolarHBondContact O-CB 3.44Å; R315-N318 PolarHBondContact O-N 3.12Å; R315-N318 VanDerWaalsContact O-N 3.12Å; N318-T321 WeakPolarHBondContact CA-OG1 3.48Å; N318-T321 PolarHBondContact O-OG1 2.86Å; N318-N322 WeakPolarHBondContact O-CB 3.41Å; N318-N322 PolarHBondContact O-N 3.33Å
319E91.7Very high89.9Confident114 Ų11491.7 Ų91.753%0.53347%0.471SS..Hα-helixtrans-68-47173.5-72.8172.5-178.200111.8R315 L316 T321 N322 L323R315-E319 PolarHBondContact O-N 3.46Å; L316-E319 PolarHBondContact O-N 3.11Å; E319-T321 VanDerWaalsContact C-N 3.34Å; E319-T321 PolarHBondContact O-N 2.97Å; E319-N322 PolarHBondContact O-N 3.4Å; E319-N322 VanDerWaalsContact O-N 3.17Å; E319-L323 WeakPolarHBondContact O-CB 3.3Å; E319-L323 WeakPolarHBondContact O-CG 3.4Å; E319-L323 PolarHBondContact O-N 2.91Å
320I89.2Confident90.2Very high94 Ų9492.1 Ų92.148%0.48247%0.474SS..Hα-helixtrans-60.2-41.9176.4-71.9163.7000111L316 S324L316-I320 VanDerWaalsContact O-CB 3.28Å; L316-I320 WeakPolarHBondContact O-CB 3.32Å; L316-I320 WeakPolarHBondContact O-CD1 3.34Å; L316-I320 WeakPolarHBondContact O-CG1 3.47Å; L316-I320 PolarHBondContact O-N 3.26Å; I320-S324 VanDerWaalsContact O-CB 3.23Å; I320-S324 WeakPolarHBondContact O-CB 3.27Å; I320-S324 PolarHBondContact O-N 2.93Å; I320-S324 PolarHBondContact O-OG 2.79Å
321T91Very high90.5Very high72 Ų7292.8 Ų92.844%0.44247%0.473SS..Hα-helixtrans-71.6-31.5176.551.50000112.6N317 N318 E319 K325N317-T321 WeakPolarHBondContact O-CB 3.49Å; N317-T321 VanDerWaalsContact O-CG2 3.3Å; N317-T321 WeakPolarHBondContact O-CG2 3.32Å; N317-T321 PolarHBondContact O-N 3.46Å; N317-T321 PolarHBondContact O-OG1 2.79Å; N318-T321 WeakPolarHBondContact CA-OG1 3.48Å; N318-T321 PolarHBondContact O-OG1 2.86Å; E319-T321 VanDerWaalsContact C-N 3.34Å; E319-T321 PolarHBondContact O-N 2.97Å; T321-K325 WeakPolarHBondContact O-CG 3.48Å; T321-K325 PolarHBondContact O-N 3.3Å; T321-K325 VanDerWaalsContact O-N 3.08Å
322N91.8Very high90.7Very high86 Ų8696.9 Ų96.946%0.4649%0.489SS..Hα-helixtrans-69.3-47172.4-169.242.9000112N318 E319 S324 K325 Q326N318-N322 WeakPolarHBondContact O-CB 3.41Å; N318-N322 PolarHBondContact O-N 3.33Å; E319-N322 PolarHBondContact O-N 3.4Å; E319-N322 VanDerWaalsContact O-N 3.17Å; N322-S324 VanDerWaalsContact C-N 3.29Å; N322-S324 PolarHBondContact O-N 3.39Å; N322-K325 WeakPolarHBondContact O-CB 3.5Å; N322-K325 PolarHBondContact O-N 3.25Å; N322-K325 VanDerWaalsContact O-N 3.16Å; N322-Q326 PolarHBondContact O-N 2.93Å
323L91.8Very high90.9Very high104 Ų10499.7 Ų99.755%0.54550%0.498SS..Hα-helixtrans-62.3-35.7174.2-70.8170.1000111.8E319 Q326 M327E319-L323 WeakPolarHBondContact O-CB 3.3Å; E319-L323 WeakPolarHBondContact O-CG 3.4Å; E319-L323 PolarHBondContact O-N 2.91Å; L323-Q326 PolarHBondContact O-N 2.81Å; L323-M327 VanDerWaalsContact O-CB 3.3Å; L323-M327 WeakPolarHBondContact O-CB 3.41Å; L323-M327 PolarHBondContact O-N 3.27Å
324S91.5Very high91.2Very high50 Ų50100.7 Ų100.735%0.3550%0.503SS..Hα-helixtrans-64.3-41.9173.2-61.70000111.8I320 N322 M327 E328I320-S324 VanDerWaalsContact O-CB 3.23Å; I320-S324 WeakPolarHBondContact O-CB 3.27Å; I320-S324 PolarHBondContact O-N 2.93Å; I320-S324 PolarHBondContact O-OG 2.79Å; N322-S324 VanDerWaalsContact C-N 3.29Å; N322-S324 PolarHBondContact O-N 3.39Å; S324-M327 PolarHBondContact O-N 3.31Å; S324-E328 PolarHBondContact O-N 3.44Å
325K92.5Very high91.3Very high150 Ų150103 Ų10365%0.65251%0.507SS*.Hα-helixtrans-63-43.7173.8-72.8169.7-177.61780111.9T321 N322 E328 S329T321-K325 WeakPolarHBondContact O-CG 3.48Å; T321-K325 PolarHBondContact O-N 3.3Å; T321-K325 VanDerWaalsContact O-N 3.08Å; N322-K325 WeakPolarHBondContact O-CB 3.5Å; N322-K325 PolarHBondContact O-N 3.25Å; N322-K325 VanDerWaalsContact O-N 3.16Å; K325-E328 PolarHBondContact O-N 3.23Å; K325-S329 WeakPolarHBondContact O-CB 3.44Å; K325-S329 PolarHBondContact O-N 2.58Å
326Q93Very high91.5Very high99 Ų9998.8 Ų98.846%0.46350%0.502SS..Hα-helixtrans-62.9-42.4175.2-70.6179.8-9.600111.6N322 L323 S329 M330N322-Q326 PolarHBondContact O-N 2.93Å; L323-Q326 PolarHBondContact O-N 2.81Å; Q326-S329 WeakPolarHBondContact O-CB 3.34Å; Q326-S329 PolarHBondContact O-N 2.77Å; Q326-M330 WeakPolarHBondContact O-CG 3.48Å; Q326-M330 PolarHBondContact O-N 3.41Å
327M90.9Very high91.7Very high88 Ų8899.6 Ų99.643%0.43351%0.506SS..Hα-helixtrans-63.6-41.7176.4177.7171.649.700112.4L323 S324 M330 K331L323-M327 VanDerWaalsContact O-CB 3.3Å; L323-M327 WeakPolarHBondContact O-CB 3.41Å; L323-M327 PolarHBondContact O-N 3.27Å; S324-M327 PolarHBondContact O-N 3.31Å; M327-M330 PolarHBondContact O-N 3.42Å; M327-K331 HydrophobicContact CG-CD 4.13Å; M327-K331 WeakPolarHBondContact O-CB 3.26Å; M327-K331 WeakPolarHBondContact O-CD 3.25Å; M327-K331 VanDerWaalsContact O-CG 3.25Å; M327-K331 WeakPolarHBondContact O-CG 3.47Å; M327-K331 PolarHBondContact O-N 3.1Å
328E91.5Very high91.9Very high100 Ų100103.4 Ų103.447%0.46751%0.514SS..Hα-helixtrans-67.9-35.8173.6-68.7-50.8135.800112.6S324 K325 K331 L332S324-E328 PolarHBondContact O-N 3.44Å; K325-E328 PolarHBondContact O-N 3.23Å; E328-K331 PolarHBondContact O-N 2.87Å; E328-K331 VanDerWaalsContact OE1-CD 3.28Å; E328-K331 WeakPolarHBondContact OE1-CD 3.39Å; E328-K331 IonicContact OE1-NZ 3.1Å; E328-K331 PolarHBondContact OE1-NZ 2.97Å; E328-K331 WeakPolarHBondContact OE2-CD 3.23Å; E328-L332 PolarHBondContact O-N 2.77Å
329S91.8Very high92Very high77 Ų77103.9 Ų103.954%0.53852%0.516SS..Hα-helixtrans-59.9-49.6171.8-165.50000111.3K325 Q326 K331 L332 E333K325-S329 WeakPolarHBondContact O-CB 3.44Å; K325-S329 PolarHBondContact O-N 2.58Å; Q326-S329 WeakPolarHBondContact O-CB 3.34Å; Q326-S329 PolarHBondContact O-N 2.77Å; S329-K331 VanDerWaalsContact C-N 3.32Å; S329-K331 PolarHBondContact O-N 3.25Å; S329-L332 WeakPolarHBondContact O-CB 3.23Å; S329-L332 PolarHBondContact O-N 2.86Å; S329-E333 PolarHBondContact O-N 2.95Å
330M92.4Very high92.1Very high104 Ų104101.9 Ų101.951%0.51251%0.511SS..Hα-helixtrans-64.5-33.6176.4-70.1-173.1-63.500112.5Q326 M327 N334Q326-M330 WeakPolarHBondContact O-CG 3.48Å; Q326-M330 PolarHBondContact O-N 3.41Å; M327-M330 PolarHBondContact O-N 3.42Å; M330-N334 VanDerWaalsContact O-CB 3.3Å; M330-N334 WeakPolarHBondContact O-CB 3.36Å; M330-N334 PolarHBondContact O-N 3.28Å; M330-N334 PolarHBondContact O-ND2 3.41Å
331K92.7Very high92.2Very high89 Ų89100.7 Ų100.739%0.38751%0.508SS..Hα-helixtrans-65.8-39.3172.7-78163.1172.6171.20111.9M327 E328 S329 R335M327-K331 HydrophobicContact CG-CD 4.13Å; M327-K331 WeakPolarHBondContact O-CB 3.26Å; M327-K331 WeakPolarHBondContact O-CD 3.25Å; M327-K331 VanDerWaalsContact O-CG 3.25Å; M327-K331 WeakPolarHBondContact O-CG 3.47Å; M327-K331 PolarHBondContact O-N 3.1Å; E328-K331 PolarHBondContact O-N 2.87Å; E328-K331 VanDerWaalsContact OE1-CD 3.28Å; E328-K331 WeakPolarHBondContact OE1-CD 3.39Å; E328-K331 IonicContact OE1-NZ 3.1Å; E328-K331 PolarHBondContact OE1-NZ 2.97Å; E328-K331 WeakPolarHBondContact OE2-CD 3.23Å; S329-K331 VanDerWaalsContact C-N 3.32Å; S329-K331 PolarHBondContact O-N 3.25Å; K331-R335 WeakPolarHBondContact O-CB 3.44Å; K331-R335 WeakPolarHBondContact O-CG 3.26Å; K331-R335 PolarHBondContact O-N 3.05Å
332L91.8Very high92.2Very high125 Ų125100.1 Ų100.165%0.65451%0.511SS*.Hα-helixtrans-67.3-43.9176.9-156.594.9000111.1E328 S329 R335 S336E328-L332 PolarHBondContact O-N 2.77Å; S329-L332 WeakPolarHBondContact O-CB 3.23Å; S329-L332 PolarHBondContact O-N 2.86Å; L332-R335 WeakPolarHBondContact O-CB 3.3Å; L332-R335 PolarHBondContact O-N 2.91Å; L332-S336 PolarHBondContact O-N 2.68Å
333E92.7Very high92.2Very high116 Ų116100.2 Ų100.254%0.54251%0.509SS..Hα-helixtrans-62.5-47.8175-175.3174.7-16500111.7S329 R335 S336 L337S329-E333 PolarHBondContact O-N 2.95Å; E333-R335 VanDerWaalsContact C-N 3.32Å; E333-R335 PolarHBondContact O-N 3.18Å; E333-S336 WeakPolarHBondContact O-CA 3.18Å; E333-S336 WeakPolarHBondContact O-CB 3.34Å; E333-S336 PolarHBondContact O-N 3.23Å; E333-L337 HydrophobicContact CG-CD1 4.27Å; E333-L337 WeakPolarHBondContact O-CG 3.4Å; E333-L337 PolarHBondContact O-N 2.98Å
334N90.4Very high92.2Very high82 Ų82100.4 Ų100.444%0.43951%0.51SS..Hα-helixtrans-58.9-41.3174.1-86.4-86.5000111.8M330 S336 L337 Y338M330-N334 VanDerWaalsContact O-CB 3.3Å; M330-N334 WeakPolarHBondContact O-CB 3.36Å; M330-N334 PolarHBondContact O-N 3.28Å; M330-N334 PolarHBondContact O-ND2 3.41Å; N334-S336 VanDerWaalsContact C-N 3.33Å; N334-S336 PolarHBondContact O-N 3.05Å; N334-L337 PolarHBondContact O-N 3.08Å; N334-Y338 WeakPolarHBondContact O-CB 3.43Å; N334-Y338 WeakPolarHBondContact O-CD2 3.24Å; N334-Y338 PolarHBondContact O-N 2.95Å
335R93Very high92.3Very high175 Ų175104.1 Ų104.166%0.6652%0.52SS*.Hα-helixtrans-60.7-41173.6-80.4174.7172.9174.4-1112.1K331 L332 E333 Y338 I339K331-R335 WeakPolarHBondContact O-CB 3.44Å; K331-R335 WeakPolarHBondContact O-CG 3.26Å; K331-R335 PolarHBondContact O-N 3.05Å; L332-R335 WeakPolarHBondContact O-CB 3.3Å; L332-R335 PolarHBondContact O-N 2.91Å; E333-R335 VanDerWaalsContact C-N 3.32Å; E333-R335 PolarHBondContact O-N 3.18Å; R335-Y338 PolarHBondContact O-N 2.88Å; R335-I339 WeakPolarHBondContact O-CG1 3.37Å; R335-I339 PolarHBondContact O-N 3.18Å; R335-I339 VanDerWaalsContact O-N 3.15Å
336S93.6Very high92.2Very high70 Ų70103.9 Ų103.949%0.4952%0.519SS..Hα-helixtrans-61.8-50.7174.6-1700000111.1L332 E333 N334 Y338 I339 T340L332-S336 PolarHBondContact O-N 2.68Å; E333-S336 WeakPolarHBondContact O-CA 3.18Å; E333-S336 WeakPolarHBondContact O-CB 3.34Å; E333-S336 PolarHBondContact O-N 3.23Å; N334-S336 VanDerWaalsContact C-N 3.33Å; N334-S336 PolarHBondContact O-N 3.05Å; S336-Y338 VanDerWaalsContact C-N 3.34Å; S336-Y338 PolarHBondContact O-N 3.33Å; S336-I339 WeakPolarHBondContact O-CB 3.4Å; S336-I339 PolarHBondContact O-N 2.81Å; S336-T340 PolarHBondContact O-N 2.71Å; S336-T340 PolarHBondContact O-OG1 2.85Å
337L93.8Very high92.2Very high93 Ų93102.6 Ų102.649%0.48752%0.515SS..Hα-helixtrans-59.8-39.3177.2-67.6171.8000112.7E333 N334 I339 T340 V341E333-L337 HydrophobicContact CG-CD1 4.27Å; E333-L337 WeakPolarHBondContact O-CG 3.4Å; E333-L337 PolarHBondContact O-N 2.98Å; N334-L337 PolarHBondContact O-N 3.08Å; L337-I339 VanDerWaalsContact C-N 3.34Å; L337-I339 PolarHBondContact O-N 3.08Å; L337-T340 PolarHBondContact O-N 2.78Å; L337-V341 WeakPolarHBondContact O-CB 3.45Å; L337-V341 VanDerWaalsContact O-CG2 3.28Å; L337-V341 WeakPolarHBondContact O-CG2 3.48Å; L337-V341 PolarHBondContact O-N 3.16Å
338Y92Very high92.2Very high172 Ų172103.9 Ų103.968%0.67552%0.52SS*.Hα-helixtrans-61.1-39.9173.7-88.8-63.7000112.5N334 R335 S336 A342N334-Y338 WeakPolarHBondContact O-CB 3.43Å; N334-Y338 WeakPolarHBondContact O-CD2 3.24Å; N334-Y338 PolarHBondContact O-N 2.95Å; R335-Y338 PolarHBondContact O-N 2.88Å; S336-Y338 VanDerWaalsContact C-N 3.34Å; S336-Y338 PolarHBondContact O-N 3.33Å; Y338-A342 VanDerWaalsContact O-CB 3.31Å; Y338-A342 WeakPolarHBondContact O-CB 3.46Å; Y338-A342 PolarHBondContact O-N 3.25Å
339I93Very high92.1Very high121 Ų121103.6 Ų103.662%0.62153%0.525SS*.Hα-helixtrans-67.7-45.9175.6-66.5164.1000110.3R335 S336 L337 V341 A342 Q343R335-I339 WeakPolarHBondContact O-CG1 3.37Å; R335-I339 PolarHBondContact O-N 3.18Å; R335-I339 VanDerWaalsContact O-N 3.15Å; S336-I339 WeakPolarHBondContact O-CB 3.4Å; S336-I339 PolarHBondContact O-N 2.81Å; L337-I339 VanDerWaalsContact C-N 3.34Å; L337-I339 PolarHBondContact O-N 3.08Å; I339-V341 PolarHBondContact O-N 2.96Å; I339-A342 PolarHBondContact O-N 3.35Å; I339-Q343 PolarHBondContact O-N 3.28Å
340T93.5Very high92Very high72 Ų72101.4 Ų101.444%0.44252%0.515SS..Hα-helixtrans-60.5-43.7176.9-53.20000111.8S336 L337 Q343 L344S336-T340 PolarHBondContact O-N 2.71Å; S336-T340 PolarHBondContact O-OG1 2.85Å; L337-T340 PolarHBondContact O-N 2.78Å; T340-Q343 PolarHBondContact O-N 2.98Å; T340-L344 HydrophobicContact CG2-CD1 4.05Å; T340-L344 HydrophobicContact CG2-CG 4.45Å; T340-L344 WeakPolarHBondContact O-CB 3.41Å; T340-L344 WeakPolarHBondContact O-CG 3.3Å; T340-L344 PolarHBondContact O-N 3.02Å
341V91.8Very high91.9Very high69 Ų69101.7 Ų101.742%0.41852%0.518SS..Hα-helixtrans-67.4-35.6176.8169.60000111.8L337 I339 K345L337-V341 WeakPolarHBondContact O-CB 3.45Å; L337-V341 VanDerWaalsContact O-CG2 3.28Å; L337-V341 WeakPolarHBondContact O-CG2 3.48Å; L337-V341 PolarHBondContact O-N 3.16Å; I339-V341 PolarHBondContact O-N 2.96Å; V341-K345 HydrophobicContact CG1-CD 4.23Å; V341-K345 WeakPolarHBondContact O-CB 3.31Å; V341-K345 VanDerWaalsContact O-CG 3.27Å; V341-K345 WeakPolarHBondContact O-CG 3.45Å; V341-K345 PolarHBondContact O-N 3.49Å
342A91.4Very high91.8Very high61 Ų61102.1 Ų102.150%0.50452%0.524SS..Hα-helixtrans-65.6-41.817400000111.9Y338 I339 K345 K346Y338-A342 VanDerWaalsContact O-CB 3.31Å; Y338-A342 WeakPolarHBondContact O-CB 3.46Å; Y338-A342 PolarHBondContact O-N 3.25Å; I339-A342 PolarHBondContact O-N 3.35Å; A342-K345 PolarHBondContact O-N 2.95Å; A342-K346 PolarHBondContact O-N 3.37Å; A342-K346 VanDerWaalsContact O-N 3.13Å
343Q91.8Very high91.6Very high88 Ų8899.4 Ų99.441%0.41151%0.513SS..Hα-helixtrans-67.3-48.2176.4-177.754.439.200111.5I339 T340 K345 K346 D347I339-Q343 PolarHBondContact O-N 3.28Å; T340-Q343 PolarHBondContact O-N 2.98Å; Q343-K345 VanDerWaalsContact C-N 3.26Å; Q343-K345 PolarHBondContact O-N 2.86Å; Q343-K346 WeakPolarHBondContact O-CA 3.32Å; Q343-K346 WeakPolarHBondContact O-CB 3.41Å; Q343-K346 PolarHBondContact O-N 2.71Å; Q343-D347 PolarHBondContact NE2-OD1 3.21Å; Q343-D347 PolarHBondContact NE2-OD2 3.34Å; Q343-D347 PolarHBondContact O-N 3.25Å
344L92.3Very high91.5Very high107 Ų10799 Ų9956%0.5651%0.512SS*.Hα-helixtrans-59.1-35.4176-72.8172.5000112.7T340 D347 Q348T340-L344 HydrophobicContact CG2-CD1 4.05Å; T340-L344 HydrophobicContact CG2-CG 4.45Å; T340-L344 WeakPolarHBondContact O-CB 3.41Å; T340-L344 WeakPolarHBondContact O-CG 3.3Å; T340-L344 PolarHBondContact O-N 3.02Å; L344-D347 PolarHBondContact O-N 2.88Å; L344-Q348 VanDerWaalsContact O-CB 3.25Å; L344-Q348 WeakPolarHBondContact O-CB 3.2Å; L344-Q348 PolarHBondContact O-N 3.31Å
345K92.3Very high91.5Very high129 Ų129100.6 Ų100.656%0.56152%0.517SS*.Hα-helixtrans-65.7-40172.3-78.8175.2177.1-177.20112.5V341 A342 Q343 Q348 V349V341-K345 HydrophobicContact CG1-CD 4.23Å; V341-K345 WeakPolarHBondContact O-CB 3.31Å; V341-K345 VanDerWaalsContact O-CG 3.27Å; V341-K345 WeakPolarHBondContact O-CG 3.45Å; V341-K345 PolarHBondContact O-N 3.49Å; A342-K345 PolarHBondContact O-N 2.95Å; Q343-K345 VanDerWaalsContact C-N 3.26Å; Q343-K345 PolarHBondContact O-N 2.86Å; K345-Q348 PolarHBondContact O-N 2.85Å; K345-V349 WeakPolarHBondContact O-CG2 3.19Å; K345-V349 PolarHBondContact O-N 3.41Å
346K91.6Very high91.3Very high144 Ų14495 Ų9563%0.62651%0.505SS*.Hα-helixtrans-63.4-44.2174.7-177.9-175.3173.5-171.60111.2A342 Q343 V349 G350A342-K346 PolarHBondContact O-N 3.37Å; A342-K346 VanDerWaalsContact O-N 3.13Å; Q343-K346 WeakPolarHBondContact O-CA 3.32Å; Q343-K346 WeakPolarHBondContact O-CB 3.41Å; Q343-K346 PolarHBondContact O-N 2.71Å; K346-V349 PolarHBondContact O-N 2.8Å; K346-G350 PolarHBondContact O-N 3.34Å
347D91.6Very high91.2Very high73 Ų7396.9 Ų96.939%0.3951%0.506SS..Hα-helixtrans-69.6-35.2179.6-60.7-30.8000111.7Q343 L344 G350 L351Q343-D347 PolarHBondContact NE2-OD1 3.21Å; Q343-D347 PolarHBondContact NE2-OD2 3.34Å; Q343-D347 PolarHBondContact O-N 3.25Å; L344-D347 PolarHBondContact O-N 2.88Å; D347-G350 PolarHBondContact O-N 2.79Å; D347-L351 WeakPolarHBondContact O-CB 3.35Å; D347-L351 PolarHBondContact O-N 2.81Å
348Q90.6Very high91.1Very high114 Ų11495.2 Ų95.253%0.53350%0.502SS..Hα-helixtrans-62.7-39.9170.8-174178.821.800112.3L344 K345 L351 N352L344-Q348 VanDerWaalsContact O-CB 3.25Å; L344-Q348 WeakPolarHBondContact O-CB 3.2Å; L344-Q348 PolarHBondContact O-N 3.31Å; K345-Q348 PolarHBondContact O-N 2.85Å; Q348-L351 PolarHBondContact O-N 2.84Å; Q348-N352 WeakPolarHBondContact O-CB 3.37Å; Q348-N352 PolarHBondContact O-N 3.4Å; Q348-N352 PolarHBondContact O-ND2 3.16Å; Q348-N352 PolarHBondContact O-OD1 2.93Å
349V90.5Very high91Very high94 Ų9491.6 Ų91.657%0.5749%0.492SS*.Hα-helixtrans-63.2-44.4173172.70000110.6K345 K346 L351 N352 T353K345-V349 WeakPolarHBondContact O-CG2 3.19Å; K345-V349 PolarHBondContact O-N 3.41Å; K346-V349 PolarHBondContact O-N 2.8Å; V349-L351 PolarHBondContact O-N 3.3Å; V349-N352 PolarHBondContact O-N 2.93Å; V349-T353 PolarHBondContact O-N 2.9Å; V349-T353 PolarHBondContact O-OG1 3.14Å
350G89.9Confident90.9Very high32 Ų3291.9 Ų91.933%0.3349%0.491SS..Hα-helixtrans-59.7-44.9175.900000113.3K346 D347 T353 M354K346-G350 PolarHBondContact O-N 3.34Å; D347-G350 PolarHBondContact O-N 2.79Å; G350-T353 PolarHBondContact O-N 3.42Å; G350-M354 WeakPolarHBondContact O-CG 3.42Å; G350-M354 PolarHBondContact O-N 3.05Å
351L90.5Very high90.8Very high110 Ų11092.3 Ų92.358%0.57649%0.494SS*.Hα-helixtrans-62.1-40.7174.7-81.7161.2000112.5D347 Q348 V349 M354 H355D347-L351 WeakPolarHBondContact O-CB 3.35Å; D347-L351 PolarHBondContact O-N 2.81Å; Q348-L351 PolarHBondContact O-N 2.84Å; V349-L351 PolarHBondContact O-N 3.3Å; L351-M354 HydrophobicContact CD2-CE 3.87Å; L351-M354 HydrophobicContact CG-CE 4.28Å; L351-M354 PolarHBondContact O-N 2.78Å; L351-H355 VanDerWaalsContact O-CB 3.3Å; L351-H355 WeakPolarHBondContact O-CB 3.36Å; L351-H355 PolarHBondContact O-N 2.97Å
352N89Confident90.9Very high98 Ų9891.9 Ų91.952%0.52449%0.491SS..Hα-helixtrans-64.8-40.1176.4-71.4-11.8000111.8Q348 V349 H355 S356Q348-N352 WeakPolarHBondContact O-CB 3.37Å; Q348-N352 PolarHBondContact O-N 3.4Å; Q348-N352 PolarHBondContact O-ND2 3.16Å; Q348-N352 PolarHBondContact O-OD1 2.93Å; V349-N352 PolarHBondContact O-N 2.93Å; N352-H355 PolarHBondContact O-N 2.82Å; N352-S356 PolarHBondContact O-N 2.7Å
353T89.5Confident90.9Very high68 Ų6892.6 Ų92.642%0.41749%0.492SS..Hα-helixtrans-62.8-51.6174.7-56.20000111.2V349 G350 H355 S356 E357V349-T353 PolarHBondContact O-N 2.9Å; V349-T353 PolarHBondContact O-OG1 3.14Å; G350-T353 PolarHBondContact O-N 3.42Å; T353-H355 PolarHBondContact O-N 2.78Å; T353-S356 WeakPolarHBondContact O-CB 3.4Å; T353-S356 PolarHBondContact O-N 3Å; T353-E357 WeakPolarHBondContact O-CG 3.47Å; T353-E357 PolarHBondContact O-N 3.06Å
354M89.1Confident91Very high107 Ų10793.7 Ų93.753%0.52749%0.493SS..Hα-helixtrans-60.4-32.2176.8-68.3-172.3-58.200112.5G350 L351 S358G350-M354 WeakPolarHBondContact O-CG 3.42Å; G350-M354 PolarHBondContact O-N 3.05Å; L351-M354 HydrophobicContact CD2-CE 3.87Å; L351-M354 HydrophobicContact CG-CE 4.28Å; L351-M354 PolarHBondContact O-N 2.78Å; M354-S358 WeakPolarHBondContact O-CB 2.94Å; M354-S358 PolarHBondContact O-N 3.08Å
355H90.7Very high91Very high115 Ų11593 Ų9353%0.53249%0.488SS..Hα-helixtrans-70.1-37.4174.4-174.651.8000112.3L351 N352 T353 S358 M359L351-H355 VanDerWaalsContact O-CB 3.3Å; L351-H355 WeakPolarHBondContact O-CB 3.36Å; L351-H355 PolarHBondContact O-N 2.97Å; N352-H355 PolarHBondContact O-N 2.82Å; T353-H355 PolarHBondContact O-N 2.78Å; H355-S358 PolarHBondContact O-N 3.49Å; H355-M359 WeakPolarHBondContact O-CB 3.47Å; H355-M359 WeakPolarHBondContact O-CG 3.34Å; H355-M359 PolarHBondContact O-N 3.07Å
356S88.9Confident91.1Very high58 Ų5891.3 Ų91.341%0.40649%0.486SS..Hα-helixtrans-62.5-49.7172-160.20000111.2N352 T353 S358 M359 E360N352-S356 PolarHBondContact O-N 2.7Å; T353-S356 WeakPolarHBondContact O-CB 3.4Å; T353-S356 PolarHBondContact O-N 3Å; S356-S358 VanDerWaalsContact C-N 3.28Å; S356-S358 PolarHBondContact O-N 3.41Å; S356-M359 PolarHBondContact O-N 3.24Å; S356-M359 VanDerWaalsContact O-N 3.08Å; S356-E360 WeakPolarHBondContact O-CG 3.29Å; S356-E360 PolarHBondContact O-N 2.64Å; S356-E360 PolarHBondContact OG-OE1 2.88Å
357E91.3Very high91.2Very high109 Ų10988.7 Ų88.751%0.50948%0.476SS..Hα-helixtrans-59.5-38.4176.2-66.8169.4179.100111.8T353 T361T353-E357 WeakPolarHBondContact O-CG 3.47Å; T353-E357 PolarHBondContact O-N 3.06Å; E357-T361 WeakPolarHBondContact O-CB 3.12Å; E357-T361 WeakPolarHBondContact O-CG2 3.08Å; E357-T361 PolarHBondContact O-N 3.23Å; E357-T361 PolarHBondContact O-OG1 3.46Å
358S91.8Very high91.2Very high58 Ų5889.1 Ų89.141%0.40648%0.477SS..Hα-helixtrans-67.7-37.9174.1-1770000112.7M354 H355 S356 T361 V362M354-S358 WeakPolarHBondContact O-CB 2.94Å; M354-S358 PolarHBondContact O-N 3.08Å; H355-S358 PolarHBondContact O-N 3.49Å; S356-S358 VanDerWaalsContact C-N 3.28Å; S356-S358 PolarHBondContact O-N 3.41Å; S358-T361 WeakPolarHBondContact CA-OG1 3.34Å; S358-T361 PolarHBondContact O-OG1 2.77Å; S358-T361 VanDerWaalsContact O-OG1 3.08Å; S358-V362 WeakPolarHBondContact O-CB 3.34Å; S358-V362 VanDerWaalsContact O-CG2 3.24Å; S358-V362 WeakPolarHBondContact O-CG2 3.23Å; S358-V362 PolarHBondContact O-N 2.99Å
359M90.7Very high91.4Very high97 Ų9787.8 Ų87.848%0.47847%0.471SS..Hα-helixtrans-70.7-38.7175.8-70.6-89.971.300112H355 S356 V362 S363H355-M359 WeakPolarHBondContact O-CB 3.47Å; H355-M359 WeakPolarHBondContact O-CG 3.34Å; H355-M359 PolarHBondContact O-N 3.07Å; S356-M359 PolarHBondContact O-N 3.24Å; S356-M359 VanDerWaalsContact O-N 3.08Å; M359-V362 HydrophobicContact CE-CB 4.44Å; M359-V362 HydrophobicContact CE-CG1 4.41Å; M359-S363 VanDerWaalsContact O-CB 3.31Å; M359-S363 WeakPolarHBondContact O-CB 3.37Å; M359-S363 PolarHBondContact O-N 3.32Å
360E91.3Very high91.5Very high127 Ų12786.6 Ų86.659%0.59347%0.467SS*.Hα-helixtrans-65.1-44.3174.5-74.1172.9-142.500111.8S356 S363 R364S356-E360 WeakPolarHBondContact O-CG 3.29Å; S356-E360 PolarHBondContact O-N 2.64Å; S356-E360 PolarHBondContact OG-OE1 2.88Å; E360-S363 WeakPolarHBondContact O-CB 3.5Å; E360-S363 PolarHBondContact O-N 2.84Å; E360-R364 PolarHBondContact O-N 2.92Å
361T90.9Very high91.7Very high81 Ų8189 Ų8950%0.49747%0.47SS..Hα-helixtrans-66.8-40.317647.10000112.5E357 S358 S363 R364 I365E357-T361 WeakPolarHBondContact O-CB 3.12Å; E357-T361 WeakPolarHBondContact O-CG2 3.08Å; E357-T361 PolarHBondContact O-N 3.23Å; E357-T361 PolarHBondContact O-OG1 3.46Å; S358-T361 WeakPolarHBondContact CA-OG1 3.34Å; S358-T361 PolarHBondContact O-OG1 2.77Å; S358-T361 VanDerWaalsContact O-OG1 3.08Å; T361-S363 VanDerWaalsContact C-N 3.35Å; T361-S363 PolarHBondContact O-N 2.89Å; T361-R364 PolarHBondContact O-N 3.28Å; T361-I365 VanDerWaalsContact O-CG1 3.29Å; T361-I365 WeakPolarHBondContact O-CG1 3.44Å; T361-I365 PolarHBondContact O-N 3.5Å
362V92.9Very high91.9Very high59 Ų5988.5 Ų88.536%0.35847%0.467SS..Hα-helixtrans-62-41.3171.2166.50000111.5S358 M359 R364 I365 N366S358-V362 WeakPolarHBondContact O-CB 3.34Å; S358-V362 VanDerWaalsContact O-CG2 3.24Å; S358-V362 WeakPolarHBondContact O-CG2 3.23Å; S358-V362 PolarHBondContact O-N 2.99Å; M359-V362 HydrophobicContact CE-CB 4.44Å; M359-V362 HydrophobicContact CE-CG1 4.41Å; V362-R364 PolarHBondContact O-N 3.15Å; V362-I365 PolarHBondContact O-N 3.47Å; V362-N366 VanDerWaalsContact O-CG 3.31Å; V362-N366 PolarHBondContact O-N 2.91Å; V362-N366 PolarHBondContact O-ND2 2.76Å; V362-N366 VanDerWaalsContact O-ND2 3.16Å
363S91.8Very high92.2Very high76 Ų7689.5 Ų89.553%0.53147%0.467SS..Hα-helixtrans-60.1-44.8174.4-169.30000111.7M359 E360 T361 N366 Q367M359-S363 VanDerWaalsContact O-CB 3.31Å; M359-S363 WeakPolarHBondContact O-CB 3.37Å; M359-S363 PolarHBondContact O-N 3.32Å; E360-S363 WeakPolarHBondContact O-CB 3.5Å; E360-S363 PolarHBondContact O-N 2.84Å; T361-S363 VanDerWaalsContact C-N 3.35Å; T361-S363 PolarHBondContact O-N 2.89Å; S363-N366 PolarHBondContact O-N 3.15Å; S363-Q367 PolarHBondContact O-N 2.93Å
364R93.8Very high92.3Very high111 Ų11192.3 Ų92.342%0.41948%0.475SS..Hα-helixtrans-67.7-34.5177.1-172.959.5-177.9133.98.2112.9E360 T361 V362 Q367 L368 E371E360-R364 PolarHBondContact O-N 2.92Å; T361-R364 PolarHBondContact O-N 3.28Å; V362-R364 PolarHBondContact O-N 3.15Å; R364-Q367 VanDerWaalsContact NH1-NE2 3.19Å; R364-Q367 PolarHBondContact O-N 3.3Å; R364-L368 HydrophobicContact CG-CD1 4.22Å; R364-L368 WeakPolarHBondContact O-CB 3.31Å; R364-L368 VanDerWaalsContact O-CG 3.31Å; R364-L368 WeakPolarHBondContact O-CG 3.45Å; R364-L368 PolarHBondContact O-N 2.77Å; R364-E371 IonicContact NH1-OE1 2.6Å; R364-E371 PolarHBondContact NH1-OE1 2.87Å; R364-E371 IonicContact NH1-OE2 2.62Å; R364-E371 IonicContact NH2-OE2 2.67Å
365I93.3Very high92.5Very high92 Ų9291.1 Ų91.147%0.47248%0.476SS..Hα-helixtrans-63.7-49172.2-70.9163.4000110.4T361 V362 Q367 L368 E369T361-I365 VanDerWaalsContact O-CG1 3.29Å; T361-I365 WeakPolarHBondContact O-CG1 3.44Å; T361-I365 PolarHBondContact O-N 3.5Å; V362-I365 PolarHBondContact O-N 3.47Å; I365-Q367 VanDerWaalsContact C-N 3.25Å; I365-Q367 PolarHBondContact O-N 3.42Å; I365-L368 PolarHBondContact O-N 3.07Å; I365-L368 VanDerWaalsContact O-N 3.15Å; I365-E369 PolarHBondContact O-N 3.46Å
366N92.7Very high92.7Very high95 Ų9590.5 Ų90.551%0.50847%0.473SS..Hα-helixtrans-58.9-37.6176.6-70.6-35.3000112.1V362 S363 S370V362-N366 VanDerWaalsContact O-CG 3.31Å; V362-N366 PolarHBondContact O-N 2.91Å; V362-N366 PolarHBondContact O-ND2 2.76Å; V362-N366 VanDerWaalsContact O-ND2 3.16Å; S363-N366 PolarHBondContact O-N 3.15Å; N366-S370 PolarHBondContact O-N 3.06Å; N366-S370 VanDerWaalsContact O-N 3.15Å
367Q93.4Very high92.9Very high89 Ų8993.1 Ų93.142%0.41648%0.478SS..Hα-helixtrans-64.1-52173.4-169.1-168.6-5.900111.1S363 R364 I365 E369 S370 E371S363-Q367 PolarHBondContact O-N 2.93Å; R364-Q367 VanDerWaalsContact NH1-NE2 3.19Å; R364-Q367 PolarHBondContact O-N 3.3Å; I365-Q367 VanDerWaalsContact C-N 3.25Å; I365-Q367 PolarHBondContact O-N 3.42Å; Q367-E369 VanDerWaalsContact C-N 3.28Å; Q367-E369 PolarHBondContact O-N 3.3Å; Q367-S370 PolarHBondContact O-N 3.27Å; Q367-S370 PolarHBondContact O-OG 2.9Å; Q367-E371 WeakPolarHBondContact CG-OE1 3.15Å; Q367-E371 PolarHBondContact NE2-OE1 2.73Å; Q367-E371 WeakPolarHBondContact O-CG 3.35Å; Q367-E371 PolarHBondContact O-N 2.59Å
368L93.5Very high93Very high81 Ų8190.3 Ų90.342%0.42447%0.468SS..Hα-helixtrans-59.7-35.5178.6-75.1166.7000112.5R364 I365 L372R364-L368 HydrophobicContact CG-CD1 4.22Å; R364-L368 WeakPolarHBondContact O-CB 3.31Å; R364-L368 VanDerWaalsContact O-CG 3.31Å; R364-L368 WeakPolarHBondContact O-CG 3.45Å; R364-L368 PolarHBondContact O-N 2.77Å; I365-L368 PolarHBondContact O-N 3.07Å; I365-L368 VanDerWaalsContact O-N 3.15Å; L368-L372 VanDerWaalsContact O-CB 3.25Å; L368-L372 WeakPolarHBondContact O-CB 3.3Å; L368-L372 PolarHBondContact O-N 3.49Å
369E94.6Very high93.1Very high87 Ų8792.3 Ų92.341%0.40747%0.474SS..Hα-helixtrans-64.1-39.5171.6-81.7-162.2-156.600112.8I365 Q367 L372 K373I365-E369 PolarHBondContact O-N 3.46Å; Q367-E369 VanDerWaalsContact C-N 3.28Å; Q367-E369 PolarHBondContact O-N 3.3Å; E369-L372 PolarHBondContact O-N 3.48Å; E369-K373 WeakPolarHBondContact O-CB 3.33Å; E369-K373 WeakPolarHBondContact O-CD 3.5Å; E369-K373 VanDerWaalsContact O-CG 3.23Å; E369-K373 WeakPolarHBondContact O-CG 3.5Å; E369-K373 PolarHBondContact O-N 2.99Å; E369-K373 IonicContact OE2-NZ 2.76Å; E369-K373 PolarHBondContact OE2-NZ 2.85Å
370S92.2Very high93.2Very high69 Ų6993.6 Ų93.648%0.48348%0.479SS..Hα-helixtrans-72.6-37.5178.3690000112N366 Q367 K373 H374N366-S370 PolarHBondContact O-N 3.06Å; N366-S370 VanDerWaalsContact O-N 3.15Å; Q367-S370 PolarHBondContact O-N 3.27Å; Q367-S370 PolarHBondContact O-OG 2.9Å; S370-K373 PolarHBondContact O-N 3.24Å; S370-H374 WeakPolarHBondContact O-CB 3.4Å; S370-H374 PolarHBondContact O-N 3.43Å
371E94.1Very high93.3Very high83 Ų8392 Ų9239%0.38847%0.471SS..Hα-helixtrans-60.4-44.3169.7-71.1168.4-170.600111.1R364 Q367 H374 C375R364-E371 IonicContact NH1-OE1 2.6Å; R364-E371 PolarHBondContact NH1-OE1 2.87Å; R364-E371 IonicContact NH1-OE2 2.62Å; R364-E371 IonicContact NH2-OE2 2.67Å; Q367-E371 WeakPolarHBondContact CG-OE1 3.15Å; Q367-E371 PolarHBondContact NE2-OE1 2.73Å; Q367-E371 WeakPolarHBondContact O-CG 3.35Å; Q367-E371 PolarHBondContact O-N 2.59Å; E371-H374 PolarHBondContact O-N 3.41Å; E371-C375 WeakPolarHBondContact O-CB 3.32Å; E371-C375 PolarHBondContact O-N 2.99Å
372L94.9Very high93.4Very high99 Ų9992.2 Ų92.252%0.51847%0.47SS..Hα-helixtrans-65.1-47.1176.7179.661.9000112.4L368 E369 H374 C375 Q376L368-L372 VanDerWaalsContact O-CB 3.25Å; L368-L372 WeakPolarHBondContact O-CB 3.3Å; L368-L372 PolarHBondContact O-N 3.49Å; E369-L372 PolarHBondContact O-N 3.48Å; L372-H374 VanDerWaalsContact C-N 3.3Å; L372-H374 PolarHBondContact O-N 3.47Å; L372-C375 WeakPolarHBondContact O-CB 3.5Å; L372-C375 PolarHBondContact O-N 3.27Å; L372-Q376 HydrophobicContact CD1-CG 4.35Å; L372-Q376 WeakPolarHBondContact O-CB 3.25Å; L372-Q376 WeakPolarHBondContact O-CG 3.33Å; L372-Q376 PolarHBondContact O-N 3.49Å
373K94.5Very high93.5Very high119 Ų11992.4 Ų92.452%0.51747%0.474SS..Hα-helixtrans-61.9-37.2177.8-74.5160.3-177.1156.80111.7E369 S370 K377E369-K373 WeakPolarHBondContact O-CB 3.33Å; E369-K373 WeakPolarHBondContact O-CD 3.5Å; E369-K373 VanDerWaalsContact O-CG 3.23Å; E369-K373 WeakPolarHBondContact O-CG 3.5Å; E369-K373 PolarHBondContact O-N 2.99Å; E369-K373 IonicContact OE2-NZ 2.76Å; E369-K373 PolarHBondContact OE2-NZ 2.85Å; S370-K373 PolarHBondContact O-N 3.24Å; K373-K377 PolarHBondContact O-N 3.48Å
374H92.9Very high93.6Very high127 Ų12795.8 Ų95.859%0.58848%0.481SS*.Hα-helixtrans-66.5-46.8172.5-177.617.1000111.8S370 E371 L372 Q376 K377 T378S370-H374 WeakPolarHBondContact O-CB 3.4Å; S370-H374 PolarHBondContact O-N 3.43Å; E371-H374 PolarHBondContact O-N 3.41Å; L372-H374 VanDerWaalsContact C-N 3.3Å; L372-H374 PolarHBondContact O-N 3.47Å; H374-Q376 VanDerWaalsContact C-N 3.34Å; H374-Q376 PolarHBondContact O-N 3.19Å; H374-K377 PolarHBondContact O-N 3.25Å; H374-T378 PolarHBondContact CE1-OG1 2.97Å; H374-T378 PolarHBondContact ND1-OG1 2.96Å; H374-T378 PolarHBondContact O-N 2.96Å; H374-T378 PolarHBondContact O-OG1 3.38Å
375C92.7Very high93.6Very high82 Ų8295.1 Ų95.155%0.55449%0.485SS*.Hα-helixtrans-59.9-41.5178.2-1730000112.2E371 L372 T378 N379E371-C375 WeakPolarHBondContact O-CB 3.32Å; E371-C375 PolarHBondContact O-N 2.99Å; L372-C375 WeakPolarHBondContact O-CB 3.5Å; L372-C375 PolarHBondContact O-N 3.27Å; C375-T378 PolarHBondContact O-N 2.94Å; C375-N379 WeakPolarHBondContact O-CB 3.45Å; C375-N379 PolarHBondContact O-N 3.35Å
376Q94.5Very high93.7Very high101 Ų10193.9 Ų93.947%0.47248%0.482SS..Hα-helixtrans-57.6-52.1174-75.8171.9-37.400111.6L372 H374 T378 N379 E380L372-Q376 HydrophobicContact CD1-CG 4.35Å; L372-Q376 WeakPolarHBondContact O-CB 3.25Å; L372-Q376 WeakPolarHBondContact O-CG 3.33Å; L372-Q376 PolarHBondContact O-N 3.49Å; H374-Q376 VanDerWaalsContact C-N 3.34Å; H374-Q376 PolarHBondContact O-N 3.19Å; Q376-T378 PolarHBondContact O-N 2.86Å; Q376-N379 WeakPolarHBondContact O-CA 3.39Å; Q376-N379 WeakPolarHBondContact O-CB 3.48Å; Q376-N379 PolarHBondContact O-N 3.39Å; Q376-N379 VanDerWaalsContact O-N 3.07Å; Q376-E380 WeakPolarHBondContact O-CG 3.5Å; Q376-E380 PolarHBondContact O-N 2.71Å
377K93.4Very high93.8Very high114 Ų11494.3 Ų94.350%0.49648%0.481SS..Hα-helixtrans-60.1-42.6177.9-174173.3-174.4-76.20112.6K373 H374 N379 E380 E381K373-K377 PolarHBondContact O-N 3.48Å; H374-K377 PolarHBondContact O-N 3.25Å; K377-N379 VanDerWaalsContact C-N 3.28Å; K377-N379 PolarHBondContact O-N 3.38Å; K377-E380 WeakPolarHBondContact O-CB 3.38Å; K377-E380 PolarHBondContact O-N 2.97Å; K377-E381 IonicContact NZ-OE1 2.91Å; K377-E381 PolarHBondContact NZ-OE1 3.42Å; K377-E381 WeakPolarHBondContact O-CG 3.29Å; K377-E381 PolarHBondContact O-N 2.99Å
378T92.8Very high93.9Very high49 Ų4992.9 Ų92.930%0.30148%0.481SS..Hα-helixtrans-66.8-30.7176.4-61.10000112.1H374 C375 Q376 N382H374-T378 PolarHBondContact CE1-OG1 2.97Å; H374-T378 PolarHBondContact ND1-OG1 2.96Å; H374-T378 PolarHBondContact O-N 2.96Å; H374-T378 PolarHBondContact O-OG1 3.38Å; C375-T378 PolarHBondContact O-N 2.94Å; Q376-T378 PolarHBondContact O-N 2.86Å; T378-N382 VanDerWaalsContact O-CB 3.29Å; T378-N382 WeakPolarHBondContact O-CB 3.36Å; T378-N382 PolarHBondContact O-N 3.48Å; T378-N382 PolarHBondContact O-ND2 2.97Å
379N94.1Very high94Very high101 Ų10193.9 Ų93.954%0.5449%0.485SS..Hα-helixtrans-72.8-33.4173.1-173.876.6000112.8C375 Q376 K377 S383C375-N379 WeakPolarHBondContact O-CB 3.45Å; C375-N379 PolarHBondContact O-N 3.35Å; Q376-N379 WeakPolarHBondContact O-CA 3.39Å; Q376-N379 WeakPolarHBondContact O-CB 3.48Å; Q376-N379 PolarHBondContact O-N 3.39Å; Q376-N379 VanDerWaalsContact O-N 3.07Å; K377-N379 VanDerWaalsContact C-N 3.28Å; K377-N379 PolarHBondContact O-N 3.38Å; N379-S383 WeakPolarHBondContact O-CB 3.46Å; N379-S383 PolarHBondContact O-N 2.93Å; N379-S383 PolarHBondContact O-OG 3.24Å
380E93.7Very high94Very high124 Ų12496.7 Ų96.758%0.57949%0.492SS*.Hα-helixtrans-64.8-51.3170.8-69.7165.5174.800110.8Q376 K377 N382 S383 E384Q376-E380 WeakPolarHBondContact O-CG 3.5Å; Q376-E380 PolarHBondContact O-N 2.71Å; K377-E380 WeakPolarHBondContact O-CB 3.38Å; K377-E380 PolarHBondContact O-N 2.97Å; E380-N382 VanDerWaalsContact C-N 3.32Å; E380-N382 PolarHBondContact O-N 3.07Å; E380-S383 WeakPolarHBondContact O-CA 3.43Å; E380-S383 WeakPolarHBondContact O-CB 3.35Å; E380-S383 PolarHBondContact O-N 3.4Å; E380-E384 PolarHBondContact O-N 3.47Å
381E92.7Very high94.2Very high92 Ų9296.9 Ų96.943%0.4349%0.494SS..Hα-helixtrans-56.8-42.8175.5-71.2170.7175.300112.3K377 S383 E384 L385K377-E381 IonicContact NZ-OE1 2.91Å; K377-E381 PolarHBondContact NZ-OE1 3.42Å; K377-E381 WeakPolarHBondContact O-CG 3.29Å; K377-E381 PolarHBondContact O-N 2.99Å; E381-S383 VanDerWaalsContact C-N 3.32Å; E381-S383 PolarHBondContact O-N 3.01Å; E381-E384 PolarHBondContact O-N 3.47Å; E381-L385 WeakPolarHBondContact O-CB 3.43Å; E381-L385 PolarHBondContact O-N 3.04Å
382N93.8Very high94.2Very high87 Ų8799.4 Ų99.447%0.46551%0.505SS..Hα-helixtrans-65.3-33.6173.8-78.8-35000112.7T378 E380 L385 V386T378-N382 VanDerWaalsContact O-CB 3.29Å; T378-N382 WeakPolarHBondContact O-CB 3.36Å; T378-N382 PolarHBondContact O-N 3.48Å; T378-N382 PolarHBondContact O-ND2 2.97Å; E380-N382 VanDerWaalsContact C-N 3.32Å; E380-N382 PolarHBondContact O-N 3.07Å; N382-L385 PolarHBondContact O-N 2.89Å; N382-V386 WeakPolarHBondContact O-CB 3.5Å; N382-V386 VanDerWaalsContact O-CG2 3.28Å; N382-V386 WeakPolarHBondContact O-CG2 3.36Å; N382-V386 PolarHBondContact O-N 2.94Å
383S94.6Very high94.3Very high63 Ų6399.5 Ų99.544%0.44151%0.505SS..Hα-helixtrans-70-41.8177.9-61.60000111.5N379 E380 E381 V386 E387N379-S383 WeakPolarHBondContact O-CB 3.46Å; N379-S383 PolarHBondContact O-N 2.93Å; N379-S383 PolarHBondContact O-OG 3.24Å; E380-S383 WeakPolarHBondContact O-CA 3.43Å; E380-S383 WeakPolarHBondContact O-CB 3.35Å; E380-S383 PolarHBondContact O-N 3.4Å; E381-S383 VanDerWaalsContact C-N 3.32Å; E381-S383 PolarHBondContact O-N 3.01Å; S383-V386 PolarHBondContact O-N 3.21Å; S383-E387 PolarHBondContact O-N 3.26Å
384E94Very high94.3Very high147 Ų14798.2 Ų98.269%0.68750%0.504SS*.Hα-helixtrans-61.9-43.2172-67.2-172.2166.900111.7E380 E381 E387 S388E380-E384 PolarHBondContact O-N 3.47Å; E381-E384 PolarHBondContact O-N 3.47Å; E384-E387 PolarHBondContact O-N 3.44Å; E384-S388 WeakPolarHBondContact O-CB 3.49Å; E384-S388 PolarHBondContact O-N 2.93Å
385L94.4Very high94.4Very high96 Ų9695.3 Ų95.350%0.50349%0.491SS..Hα-helixtrans-62.3-42.7176179.959.9000112.1E381 N382 S388 I389E381-L385 WeakPolarHBondContact O-CB 3.43Å; E381-L385 PolarHBondContact O-N 3.04Å; N382-L385 PolarHBondContact O-N 2.89Å; L385-S388 WeakPolarHBondContact O-CB 3.27Å; L385-S388 PolarHBondContact O-N 3.36Å; L385-I389 HydrophobicContact CD1-CD1 4.04Å; L385-I389 HydrophobicContact CD1-CG1 4.38Å; L385-I389 HydrophobicContact CG-CD1 3.98Å; L385-I389 WeakPolarHBondContact O-CB 3.45Å; L385-I389 VanDerWaalsContact O-CG1 3.27Å; L385-I389 WeakPolarHBondContact O-CG1 3.42Å; L385-I389 PolarHBondContact O-N 3.38Å
386V95.3Very high94.5Very high67 Ų6794.8 Ų94.841%0.40649%0.488SS..Hα-helixtrans-63-42.2176164.20000111.6N382 S383 I389 R390N382-V386 WeakPolarHBondContact O-CB 3.5Å; N382-V386 VanDerWaalsContact O-CG2 3.28Å; N382-V386 WeakPolarHBondContact O-CG2 3.36Å; N382-V386 PolarHBondContact O-N 2.94Å; S383-V386 PolarHBondContact O-N 3.21Å; V386-I389 PolarHBondContact O-N 2.91Å; V386-R390 VanDerWaalsContact O-CG 3.29Å; V386-R390 WeakPolarHBondContact O-CG 3.06Å; V386-R390 PolarHBondContact O-N 2.71Å
387E94.8Very high94.5Very high104 Ų10493.9 Ų93.949%0.48649%0.487SS..Hα-helixtrans-72.2-33.8179-159.756.3-139.700112.4S383 E384 R390 S391S383-E387 PolarHBondContact O-N 3.26Å; E384-E387 PolarHBondContact O-N 3.44Å; E387-R390 PolarHBondContact O-N 2.9Å; E387-R390 WeakPolarHBondContact OE2-CD 3.47Å; E387-R390 IonicContact OE2-CZ 3.91Å; E387-R390 IonicContact OE2-NE 2.93Å; E387-R390 IonicContact OE2-NH1 3.99Å; E387-R390 PolarHBondContact OE2-NH1 2.96Å; E387-S391 WeakPolarHBondContact O-CB 3.37Å; E387-S391 PolarHBondContact O-N 3.36Å
388S94.4Very high94.7Very high59 Ų5993.1 Ų93.141%0.41348%0.483SS..Hα-helixtrans-59.4-48.3168.4-176.20000111.7E384 L385 R390 S391 H392E384-S388 WeakPolarHBondContact O-CB 3.49Å; E384-S388 PolarHBondContact O-N 2.93Å; L385-S388 WeakPolarHBondContact O-CB 3.27Å; L385-S388 PolarHBondContact O-N 3.36Å; S388-R390 PolarHBondContact O-N 3.42Å; S388-S391 WeakPolarHBondContact O-CB 3.29Å; S388-S391 PolarHBondContact O-N 2.9Å; S388-H392 PolarHBondContact O-CD2 3.01Å; S388-H392 VanDerWaalsContact O-CD2 3.26Å; S388-H392 PolarHBondContact O-N 3.34Å
389I94.8Very high94.8Very high101 Ų10197.5 Ų97.552%0.51849%0.494SS..Hα-helixtrans-62.4-40.8176.6-70166.1000111.3L385 V386 H392 L393L385-I389 HydrophobicContact CD1-CD1 4.04Å; L385-I389 HydrophobicContact CD1-CG1 4.38Å; L385-I389 HydrophobicContact CG-CD1 3.98Å; L385-I389 WeakPolarHBondContact O-CB 3.45Å; L385-I389 VanDerWaalsContact O-CG1 3.27Å; L385-I389 WeakPolarHBondContact O-CG1 3.42Å; L385-I389 PolarHBondContact O-N 3.38Å; V386-I389 PolarHBondContact O-N 2.91Å; I389-H392 PolarHBondContact O-N 3.47Å; I389-L393 WeakPolarHBondContact O-CB 3.28Å; I389-L393 PolarHBondContact O-N 3.35Å
390R96.6Very high94.8Very high147 Ų14796.1 Ų96.156%0.55549%0.492SS*.Hα-helixtrans-61.3-43.1174-75.1165.1173.4177.61.7112.2V386 E387 S388 L393 N394V386-R390 VanDerWaalsContact O-CG 3.29Å; V386-R390 WeakPolarHBondContact O-CG 3.06Å; V386-R390 PolarHBondContact O-N 2.71Å; E387-R390 PolarHBondContact O-N 2.9Å; E387-R390 WeakPolarHBondContact OE2-CD 3.47Å; E387-R390 IonicContact OE2-CZ 3.91Å; E387-R390 IonicContact OE2-NE 2.93Å; E387-R390 IonicContact OE2-NH1 3.99Å; E387-R390 PolarHBondContact OE2-NH1 2.96Å; S388-R390 PolarHBondContact O-N 3.42Å; R390-L393 PolarHBondContact O-N 3.5Å; R390-N394 WeakPolarHBondContact O-CB 3.43Å; R390-N394 PolarHBondContact O-N 3.47Å
391S94.8Very high94.9Very high73 Ų7394.4 Ų94.451%0.5149%0.487SS..Hα-helixtrans-61.9-46.8176.3-173.40000111.5E387 S388 L393 N394 E395E387-S391 WeakPolarHBondContact O-CB 3.37Å; E387-S391 PolarHBondContact O-N 3.36Å; S388-S391 WeakPolarHBondContact O-CB 3.29Å; S388-S391 PolarHBondContact O-N 2.9Å; S391-L393 PolarHBondContact O-N 3.39Å; S391-N394 PolarHBondContact O-N 3.33Å; S391-E395 WeakPolarHBondContact O-CB 3.38Å; S391-E395 PolarHBondContact O-N 2.77Å
392H95Very high95Very high136 Ų13694.8 Ų94.863%0.6349%0.488SS*.Hα-helixtrans-62.4-39.8175.1-82.4-123.1000112.7S388 I389 E395 S396S388-H392 PolarHBondContact O-CD2 3.01Å; S388-H392 VanDerWaalsContact O-CD2 3.26Å; S388-H392 PolarHBondContact O-N 3.34Å; I389-H392 PolarHBondContact O-N 3.47Å; H392-E395 PolarHBondContact O-N 2.82Å; H392-S396 WeakPolarHBondContact O-CB 3.33Å; H392-S396 PolarHBondContact O-N 2.89Å
393L96Very high95Very high100 Ų10096 Ų9652%0.52449%0.494SS..Hα-helixtrans-65.9-43.1175.6178.860.3000111.9I389 R390 S391 S396 N397I389-L393 WeakPolarHBondContact O-CB 3.28Å; I389-L393 PolarHBondContact O-N 3.35Å; R390-L393 PolarHBondContact O-N 3.5Å; S391-L393 PolarHBondContact O-N 3.39Å; L393-S396 PolarHBondContact O-N 2.9Å; L393-N397 WeakPolarHBondContact O-CB 3.38Å; L393-N397 VanDerWaalsContact O-CG 3.23Å; L393-N397 PolarHBondContact O-N 3.43Å; L393-N397 PolarHBondContact O-ND2 3.32Å
394N95.9Very high95Very high92 Ų9296.8 Ų96.849%0.49250%0.497SS..Hα-helixtrans-60.9-45.5175.2-175.75.9000111.1R390 S391 N397 K398R390-N394 WeakPolarHBondContact O-CB 3.43Å; R390-N394 PolarHBondContact O-N 3.47Å; S391-N394 PolarHBondContact O-N 3.33Å; N394-N397 PolarHBondContact O-N 2.9Å; N394-K398 WeakPolarHBondContact O-CG 3.37Å; N394-K398 PolarHBondContact O-N 3.27Å; N394-K398 WeakPolarHBondContact OD1-CE 3.37Å
395E95Very high95.1Very high67 Ų6797.3 Ų97.331%0.31349%0.492SS..Hα-helixtrans-64.3-40.7176.2179.956.3-160.700112.8S391 H392 K398 R399S391-E395 WeakPolarHBondContact O-CB 3.38Å; S391-E395 PolarHBondContact O-N 2.77Å; H392-E395 PolarHBondContact O-N 2.82Å; E395-K398 PolarHBondContact O-N 3.36Å; E395-K398 IonicContact OE2-NZ 3.42Å; E395-K398 PolarHBondContact OE2-NZ 2.86Å; E395-R399 WeakPolarHBondContact O-CG 3.38Å; E395-R399 PolarHBondContact O-N 3.15Å; E395-R399 VanDerWaalsContact O-N 3.15Å; E395-R399 IonicContact OE1-CZ 2.67Å; E395-R399 VanDerWaalsContact OE1-CZ 3.23Å; E395-R399 IonicContact OE1-NE 3.37Å; E395-R399 PolarHBondContact OE1-NE 2.89Å; E395-R399 IonicContact OE1-NH2 3.39Å; E395-R399 PolarHBondContact OE1-NH2 3.35Å
396S93.5Very high95.1Very high71 Ų71100.3 Ų100.350%0.49750%0.498SS..Hα-helixtrans-60.8-44.5172-167.90000111.7H392 L393 K398 R399 C400H392-S396 WeakPolarHBondContact O-CB 3.33Å; H392-S396 PolarHBondContact O-N 2.89Å; L393-S396 PolarHBondContact O-N 2.9Å; S396-K398 PolarHBondContact O-N 3.18Å; S396-R399 PolarHBondContact O-N 2.87Å; S396-C400 PolarHBondContact O-N 2.91Å
397N96.1Very high95.2Very high81 Ų81103.1 Ų103.143%0.43351%0.51SS..Hα-helixtrans-64.2-36.1176.8-73.7-20.9000112.6L393 N394 C400 N401L393-N397 WeakPolarHBondContact O-CB 3.38Å; L393-N397 VanDerWaalsContact O-CG 3.23Å; L393-N397 PolarHBondContact O-N 3.43Å; L393-N397 PolarHBondContact O-ND2 3.32Å; N394-N397 PolarHBondContact O-N 2.9Å; N397-C400 PolarHBondContact O-N 2.87Å; N397-N401 WeakPolarHBondContact O-CB 3.18Å; N397-N401 PolarHBondContact O-N 3.48Å; N397-N401 PolarHBondContact O-ND2 3.31Å
398K95.9Very high95.2Very high98 Ų98101.4 Ų101.443%0.42651%0.51SS..Hα-helixtrans-61.6-44.3172.1-70.2171.2-157.9160.40111.6N394 E395 S396 N401 Q402N394-K398 WeakPolarHBondContact O-CG 3.37Å; N394-K398 PolarHBondContact O-N 3.27Å; N394-K398 WeakPolarHBondContact OD1-CE 3.37Å; E395-K398 PolarHBondContact O-N 3.36Å; E395-K398 IonicContact OE2-NZ 3.42Å; E395-K398 PolarHBondContact OE2-NZ 2.86Å; S396-K398 PolarHBondContact O-N 3.18Å; K398-N401 PolarHBondContact O-N 3.14Å; K398-Q402 WeakPolarHBondContact O-CG 3.5Å; K398-Q402 PolarHBondContact O-N 3.22Å
399R95.2Very high95.2Very high142 Ų142103.6 Ų103.654%0.53652%0.517SS..Hα-helixtrans-66.1-42.2178.2-66.1170.7-167.8-170.53111.7E395 S396 Q402 L403E395-R399 WeakPolarHBondContact O-CG 3.38Å; E395-R399 PolarHBondContact O-N 3.15Å; E395-R399 VanDerWaalsContact O-N 3.15Å; E395-R399 IonicContact OE1-CZ 2.67Å; E395-R399 VanDerWaalsContact OE1-CZ 3.23Å; E395-R399 IonicContact OE1-NE 3.37Å; E395-R399 PolarHBondContact OE1-NE 2.89Å; E395-R399 IonicContact OE1-NH2 3.39Å; E395-R399 PolarHBondContact OE1-NH2 3.35Å; S396-R399 PolarHBondContact O-N 2.87Å; R399-Q402 WeakPolarHBondContact O-CB 3.34Å; R399-Q402 PolarHBondContact O-N 2.92Å; R399-L403 WeakPolarHBondContact O-CG 3.41Å; R399-L403 PolarHBondContact O-N 2.9Å
400C94.2Very high95.2Very high71 Ų71102.3 Ų102.348%0.4852%0.516SS..Hα-helixtrans-57.1-50.4172.2-170.90000111S396 N397 Q402 L403 T404S396-C400 PolarHBondContact O-N 2.91Å; N397-C400 PolarHBondContact O-N 2.87Å; C400-Q402 VanDerWaalsContact C-N 3.31Å; C400-Q402 PolarHBondContact O-N 3.24Å; C400-L403 PolarHBondContact O-N 3.49Å; C400-L403 VanDerWaalsContact O-N 3.14Å; C400-T404 PolarHBondContact O-N 3.03Å; C400-T404 PolarHBondContact O-OG1 3.21Å; C400-T404 VanDerWaalsContact O-OG1 3.08Å
401N95.2Very high95.2Very high89 Ų8999.8 Ų99.848%0.47651%0.511SS..Hα-helixtrans-61.8-32.6176.6-76.7-51.9000113.8N397 K398 R405N397-N401 WeakPolarHBondContact O-CB 3.18Å; N397-N401 PolarHBondContact O-N 3.48Å; N397-N401 PolarHBondContact O-ND2 3.31Å; K398-N401 PolarHBondContact O-N 3.14Å; N401-R405 WeakPolarHBondContact O-CG 3.45Å; N401-R405 PolarHBondContact O-N 2.95Å
402Q95.1Very high95.2Very high100 Ų10099.5 Ų99.547%0.46751%0.509SS..Hα-helixtrans-67.9-45.4172.5-74.4168.1-8.500111.5K398 R399 C400 T404 R405 Y406K398-Q402 WeakPolarHBondContact O-CG 3.5Å; K398-Q402 PolarHBondContact O-N 3.22Å; R399-Q402 WeakPolarHBondContact O-CB 3.34Å; R399-Q402 PolarHBondContact O-N 2.92Å; C400-Q402 VanDerWaalsContact C-N 3.31Å; C400-Q402 PolarHBondContact O-N 3.24Å; Q402-T404 PolarHBondContact O-N 3.35Å; Q402-R405 PolarHBondContact O-N 2.94Å; Q402-Y406 WeakPolarHBondContact O-CD2 3.45Å; Q402-Y406 PolarHBondContact O-N 3.08Å
403L94.1Very high95.3Very high111 Ų11195.4 Ų95.458%0.58150%0.496SS*.Hα-helixtrans-61.8-41.6176.1-69.4170000111.8R399 C400 R405 Y406 L407R399-L403 WeakPolarHBondContact O-CG 3.41Å; R399-L403 PolarHBondContact O-N 2.9Å; C400-L403 PolarHBondContact O-N 3.49Å; C400-L403 VanDerWaalsContact O-N 3.14Å; L403-R405 VanDerWaalsContact C-N 3.3Å; L403-R405 PolarHBondContact O-N 2.83Å; L403-Y406 PolarHBondContact O-N 2.99Å; L403-L407 WeakPolarHBondContact O-CB 3.24Å; L403-L407 VanDerWaalsContact O-CG 3.32Å; L403-L407 WeakPolarHBondContact O-CG 3.32Å; L403-L407 PolarHBondContact O-N 2.89Å
404T95.4Very high95.3Very high81 Ų8194.6 Ų94.650%0.49749%0.491SS..Hα-helixtrans-58.9-38.9174.5-56.80000112.4C400 Q402 S408C400-T404 PolarHBondContact O-N 3.03Å; C400-T404 PolarHBondContact O-OG1 3.21Å; C400-T404 VanDerWaalsContact O-OG1 3.08Å; Q402-T404 PolarHBondContact O-N 3.35Å; T404-S408 WeakPolarHBondContact O-CB 3.41Å; T404-S408 PolarHBondContact O-N 3.27Å
405R94.9Very high95.3Very high158 Ų15894.5 Ų94.560%0.59649%0.488SS*.Hα-helixtrans-66.1-51.3173.9-69.2170.8-164.6153.84.9111.5N401 Q402 L403 L407 S408 D409N401-R405 WeakPolarHBondContact O-CG 3.45Å; N401-R405 PolarHBondContact O-N 2.95Å; Q402-R405 PolarHBondContact O-N 2.94Å; L403-R405 VanDerWaalsContact C-N 3.3Å; L403-R405 PolarHBondContact O-N 2.83Å; R405-L407 PolarHBondContact O-N 2.98Å; R405-S408 CarbonylContact O-C 3.53Å; R405-S408 WeakPolarHBondContact O-CA 3.38Å; R405-S408 WeakPolarHBondContact O-CB 3.39Å; R405-S408 PolarHBondContact O-N 3.22Å; R405-D409 VanDerWaalsContact O-CG 3.26Å; R405-D409 PolarHBondContact O-N 3.37Å
406Y95.7Very high95.2Very high159 Ų15997.1 Ų97.162%0.62450%0.5SS*.Hα-helixtrans-57.8-35.7177.9-72.5-57000113Q402 L403 S410Q402-Y406 WeakPolarHBondContact O-CD2 3.45Å; Q402-Y406 PolarHBondContact O-N 3.08Å; L403-Y406 PolarHBondContact O-N 2.99Å; Y406-S410 VanDerWaalsContact O-CB 3.24Å; Y406-S410 WeakPolarHBondContact O-CB 3.48Å; Y406-S410 PolarHBondContact O-N 2.69Å; Y406-S410 PolarHBondContact O-OG 3.4Å
407L95.8Very high95.4Very high125 Ų12599.3 Ų99.365%0.65450%0.501SS*.Hα-helixtrans-67.4-43.7172.7-72.3169.2000111.8L403 R405 S410 Q411L403-L407 WeakPolarHBondContact O-CB 3.24Å; L403-L407 VanDerWaalsContact O-CG 3.32Å; L403-L407 WeakPolarHBondContact O-CG 3.32Å; L403-L407 PolarHBondContact O-N 2.89Å; R405-L407 PolarHBondContact O-N 2.98Å; L407-S410 PolarHBondContact O-N 3.43Å; L407-Q411 WeakPolarHBondContact O-CB 3.44Å; L407-Q411 PolarHBondContact O-N 3.37Å
408S95.4Very high95.4Very high69 Ų6999.6 Ų99.648%0.48350%0.499SS..Hα-helixtrans-61.6-46.6175.4-167.30000112.4T404 R405 S410 Q411 S412T404-S408 WeakPolarHBondContact O-CB 3.41Å; T404-S408 PolarHBondContact O-N 3.27Å; R405-S408 CarbonylContact O-C 3.53Å; R405-S408 WeakPolarHBondContact O-CA 3.38Å; R405-S408 WeakPolarHBondContact O-CB 3.39Å; R405-S408 PolarHBondContact O-N 3.22Å; S408-S410 VanDerWaalsContact C-N 3.31Å; S408-S410 PolarHBondContact O-N 3.04Å; S408-Q411 WeakPolarHBondContact O-CB 3.45Å; S408-Q411 PolarHBondContact O-N 2.99Å; S408-S412 PolarHBondContact O-N 3.38Å; S408-S412 PolarHBondContact O-OG 2.96Å
409D95.2Very high95.4Very high104 Ų10498.4 Ų98.456%0.55650%0.5SS*.Hα-helixtrans-63.2-39.6178.5-61.2-30.7000110.9R405 S413R405-D409 VanDerWaalsContact O-CG 3.26Å; R405-D409 PolarHBondContact O-N 3.37Å; D409-S413 WeakPolarHBondContact O-CB 3.34Å; D409-S413 PolarHBondContact O-N 3.22Å
410S94.4Very high95.4Very high74 Ų7495 Ų9552%0.51749%0.492SS..Hα-helixtrans-66.8-39.4175-610000112.3Y406 L407 S408 S413 L414Y406-S410 VanDerWaalsContact O-CB 3.24Å; Y406-S410 WeakPolarHBondContact O-CB 3.48Å; Y406-S410 PolarHBondContact O-N 2.69Å; Y406-S410 PolarHBondContact O-OG 3.4Å; L407-S410 PolarHBondContact O-N 3.43Å; S408-S410 VanDerWaalsContact C-N 3.31Å; S408-S410 PolarHBondContact O-N 3.04Å; S410-S413 WeakPolarHBondContact O-CB 3.27Å; S410-S413 PolarHBondContact O-N 2.86Å; S410-L414 WeakPolarHBondContact O-CB 3.45Å; S410-L414 PolarHBondContact O-N 3.15Å
411Q96.8Very high95.5Very high95 Ų9595.8 Ų95.844%0.44449%0.491SS..Hα-helixtrans-63.7-50176.5178.663.920.200111L407 S408 S413 L414 E415L407-Q411 WeakPolarHBondContact O-CB 3.44Å; L407-Q411 PolarHBondContact O-N 3.37Å; S408-Q411 WeakPolarHBondContact O-CB 3.45Å; S408-Q411 PolarHBondContact O-N 2.99Å; Q411-S413 VanDerWaalsContact C-N 3.3Å; Q411-S413 PolarHBondContact O-N 2.93Å; Q411-L414 WeakPolarHBondContact O-CB 3.32Å; Q411-L414 PolarHBondContact O-N 3.1Å; Q411-E415 WeakPolarHBondContact CG-OE1 3.36Å; Q411-E415 PolarHBondContact NE2-OE1 2.91Å; Q411-E415 WeakPolarHBondContact O-CG 3.41Å; Q411-E415 PolarHBondContact O-N 3.45Å
412S94.9Very high95.6Very high66 Ų6698 Ų9846%0.46250%0.496SS..Hα-helixtrans-64-34.2176.2-59.80000112.5S408 L414 H416S408-S412 PolarHBondContact O-N 3.38Å; S408-S412 PolarHBondContact O-OG 2.96Å; S412-L414 VanDerWaalsContact C-N 3.34Å; S412-H416 WeakPolarHBondContact O-CB 3.4Å; S412-H416 PolarHBondContact O-N 2.84Å
413S95.9Very high95.6Very high51 Ų5198.7 Ų98.736%0.35750%0.499SS..Hα-helixtrans-62.4-39.8170.9-170.50000112.3D409 S410 Q411 K417D409-S413 WeakPolarHBondContact O-CB 3.34Å; D409-S413 PolarHBondContact O-N 3.22Å; S410-S413 WeakPolarHBondContact O-CB 3.27Å; S410-S413 PolarHBondContact O-N 2.86Å; Q411-S413 VanDerWaalsContact C-N 3.3Å; Q411-S413 PolarHBondContact O-N 2.93Å; S413-K417 WeakPolarHBondContact O-CD 3.38Å; S413-K417 VanDerWaalsContact O-CG 3.27Å; S413-K417 WeakPolarHBondContact O-CG 3.47Å; S413-K417 PolarHBondContact O-N 2.75Å; S413-K417 VanDerWaalsContact O-N 3.1Å; S413-K417 PolarHBondContact OG-NZ 3.38Å; S413-K417 VanDerWaalsContact OG-NZ 3.15Å
414L95.8Very high95.7Very high82 Ų8297.9 Ų97.943%0.42950%0.495SS..Hα-helixtrans-68.7-45.6177.5-179.262.2000111.6S410 Q411 S412 H416 K417 Q418S410-L414 WeakPolarHBondContact O-CB 3.45Å; S410-L414 PolarHBondContact O-N 3.15Å; Q411-L414 WeakPolarHBondContact O-CB 3.32Å; Q411-L414 PolarHBondContact O-N 3.1Å; S412-L414 VanDerWaalsContact C-N 3.34Å; L414-H416 VanDerWaalsContact C-N 3.34Å; L414-H416 PolarHBondContact O-N 3.06Å; L414-K417 PolarHBondContact O-N 3Å; L414-Q418 WeakPolarHBondContact O-CG 3.4Å; L414-Q418 PolarHBondContact O-N 3.18Å
415E95.7Very high95.8Very high90 Ų9099.6 Ų99.642%0.42150%0.497SS..Hα-helixtrans-61.2-40.4177.1-71.2166.8178.300112.1Q411 Q418 T419Q411-E415 WeakPolarHBondContact CG-OE1 3.36Å; Q411-E415 PolarHBondContact NE2-OE1 2.91Å; Q411-E415 WeakPolarHBondContact O-CG 3.41Å; Q411-E415 PolarHBondContact O-N 3.45Å; E415-Q418 PolarHBondContact O-N 3.02Å; E415-T419 WeakPolarHBondContact O-CB 3.4Å; E415-T419 PolarHBondContact O-N 2.81Å; E415-T419 PolarHBondContact O-OG1 3.4Å
416H94.8Very high95.8Very high123 Ų12395.1 Ų95.157%0.56950%0.495SS*.Hα-helixtrans-62.6-45.5172.8-175.767.2000111.8S412 L414 T419 I420S412-H416 WeakPolarHBondContact O-CB 3.4Å; S412-H416 PolarHBondContact O-N 2.84Å; L414-H416 VanDerWaalsContact C-N 3.34Å; L414-H416 PolarHBondContact O-N 3.06Å; H416-T419 WeakPolarHBondContact O-CB 3.47Å; H416-T419 PolarHBondContact O-N 3.45Å; H416-I420 PolarHBondContact O-N 3.45Å
417K96.5Very high95.8Very high117 Ų11794.7 Ų94.751%0.50950%0.496SS..Hα-helixtrans-63.1-42.3176-72.9164-175.9160.80112.4S413 L414 T419 I420 I421S413-K417 WeakPolarHBondContact O-CD 3.38Å; S413-K417 VanDerWaalsContact O-CG 3.27Å; S413-K417 WeakPolarHBondContact O-CG 3.47Å; S413-K417 PolarHBondContact O-N 2.75Å; S413-K417 VanDerWaalsContact O-N 3.1Å; S413-K417 PolarHBondContact OG-NZ 3.38Å; S413-K417 VanDerWaalsContact OG-NZ 3.15Å; L414-K417 PolarHBondContact O-N 3Å; K417-T419 VanDerWaalsContact C-N 3.27Å; K417-T419 PolarHBondContact O-N 3.11Å; K417-I420 PolarHBondContact O-N 3.43Å; K417-I421 VanDerWaalsContact O-CG1 3.32Å; K417-I421 WeakPolarHBondContact O-CG1 3.39Å; K417-I421 PolarHBondContact O-N 3.46Å
418Q96.7Very high95.8Very high86 Ų8692.1 Ų92.140%0.40249%0.488SS..Hα-helixtrans-61-36.6173.8-72.5178.810.400112L414 E415 I421 K422L414-Q418 WeakPolarHBondContact O-CG 3.4Å; L414-Q418 PolarHBondContact O-N 3.18Å; E415-Q418 PolarHBondContact O-N 3.02Å; Q418-I421 PolarHBondContact O-N 3.05Å; Q418-K422 WeakPolarHBondContact O-CG 3.39Å; Q418-K422 PolarHBondContact O-N 3.24Å
419T95.7Very high95.8Very high73 Ų7396 Ų9645%0.44850%0.496SS..Hα-helixtrans-66.5-42.6175.7-57.30000111.4E415 H416 K417 K422 Q423E415-T419 WeakPolarHBondContact O-CB 3.4Å; E415-T419 PolarHBondContact O-N 2.81Å; E415-T419 PolarHBondContact O-OG1 3.4Å; H416-T419 WeakPolarHBondContact O-CB 3.47Å; H416-T419 PolarHBondContact O-N 3.45Å; K417-T419 VanDerWaalsContact C-N 3.27Å; K417-T419 PolarHBondContact O-N 3.11Å; T419-K422 PolarHBondContact O-N 3.18Å; T419-Q423 WeakPolarHBondContact O-CG 3.41Å; T419-Q423 PolarHBondContact O-N 2.97Å; T419-Q423 VanDerWaalsContact O-N 3.11Å
420I95.5Very high95.9Very high70 Ų7092.7 Ų92.736%0.35949%0.486SS..Hα-helixtrans-62.5-44.1173.5-68.1168.8000111.1H416 K417 K422 Q423 L424H416-I420 PolarHBondContact O-N 3.45Å; K417-I420 PolarHBondContact O-N 3.43Å; I420-K422 PolarHBondContact O-N 2.91Å; I420-Q423 WeakPolarHBondContact O-CB 3.48Å; I420-Q423 PolarHBondContact O-N 2.93Å; I420-Q423 VanDerWaalsContact O-N 3.15Å; I420-L424 HydrophobicContact CG2-CD1 3.97Å; I420-L424 HydrophobicContact CG2-CG 4.34Å; I420-L424 WeakPolarHBondContact O-CG 3.36Å; I420-L424 PolarHBondContact O-N 3.15Å
421I96Very high96Very high89 Ų8994.9 Ų94.946%0.45649%0.49SS..Hα-helixtrans-57.5-49.8177.7-70.8163.8000110.4K417 Q418 Q423 L424 E425K417-I421 VanDerWaalsContact O-CG1 3.32Å; K417-I421 WeakPolarHBondContact O-CG1 3.39Å; K417-I421 PolarHBondContact O-N 3.46Å; Q418-I421 PolarHBondContact O-N 3.05Å; I421-Q423 VanDerWaalsContact C-N 3.29Å; I421-Q423 PolarHBondContact O-N 3.17Å; I421-L424 PolarHBondContact O-N 2.82Å; I421-E425 HydrophobicContact CG2-CG 4.26Å; I421-E425 WeakPolarHBondContact O-CG 3.32Å; I421-E425 PolarHBondContact O-N 3.09Å
422K96.2Very high95.9Very high136 Ų13693.7 Ų93.759%0.59149%0.489SS*.Hα-helixtrans-58.6-36.7176.4-71.8170.5-179.4173.40113.3Q418 T419 I420 E425 A426Q418-K422 WeakPolarHBondContact O-CG 3.39Å; Q418-K422 PolarHBondContact O-N 3.24Å; T419-K422 PolarHBondContact O-N 3.18Å; I420-K422 PolarHBondContact O-N 2.91Å; K422-E425 WeakPolarHBondContact CA-OE2 3.48Å; K422-A426 WeakPolarHBondContact O-CB 3.38Å; K422-A426 PolarHBondContact O-N 3.28Å
423Q96.1Very high95.9Very high113 Ų11394 Ų9453%0.52849%0.485SS..Hα-helixtrans-68.9-36.3174.6-70.9177.710.500112.6T419 I420 I421 K427T419-Q423 WeakPolarHBondContact O-CG 3.41Å; T419-Q423 PolarHBondContact O-N 2.97Å; T419-Q423 VanDerWaalsContact O-N 3.11Å; I420-Q423 WeakPolarHBondContact O-CB 3.48Å; I420-Q423 PolarHBondContact O-N 2.93Å; I420-Q423 VanDerWaalsContact O-N 3.15Å; I421-Q423 VanDerWaalsContact C-N 3.29Å; I421-Q423 PolarHBondContact O-N 3.17Å; Q423-K427 WeakPolarHBondContact O-CG 3.48Å; Q423-K427 PolarHBondContact O-N 3.31Å; Q423-K427 VanDerWaalsContact O-N 3.09Å
424L96.1Very high95.9Very high94 Ų9495.9 Ų95.949%0.49250%0.495SS..Hα-helixtrans-71-43.4175.4-68.4173.1000111.5I420 I421 A426 K427 C428I420-L424 HydrophobicContact CG2-CD1 3.97Å; I420-L424 HydrophobicContact CG2-CG 4.34Å; I420-L424 WeakPolarHBondContact O-CG 3.36Å; I420-L424 PolarHBondContact O-N 3.15Å; I421-L424 PolarHBondContact O-N 2.82Å; L424-A426 VanDerWaalsContact C-N 3.33Å; L424-A426 PolarHBondContact O-N 3.42Å; L424-K427 PolarHBondContact O-N 3.06Å; L424-K427 VanDerWaalsContact O-N 3.17Å; L424-C428 WeakPolarHBondContact O-CB 3.38Å; L424-C428 PolarHBondContact O-N 2.84Å; L424-C428 PolarHBondContact O-SG 3.03Å
425E96.8Very high96Very high117 Ų11796.1 Ų96.155%0.54750%0.496SS..Hα-helixtrans-56.2-46.1173.2-70.9169.6161.500111.6I421 K422 C428 K429I421-E425 HydrophobicContact CG2-CG 4.26Å; I421-E425 WeakPolarHBondContact O-CG 3.32Å; I421-E425 PolarHBondContact O-N 3.09Å; K422-E425 WeakPolarHBondContact CA-OE2 3.48Å; E425-C428 PolarHBondContact O-N 2.97Å; E425-K429 WeakPolarHBondContact O-CB 3.35Å; E425-K429 PolarHBondContact O-N 2.88Å
426A95.2Very high96Very high65 Ų6597.5 Ų97.554%0.53750%0.502SS..Hα-helixtrans-62.5-41.3175.800000112.6K422 L424 G430K422-A426 WeakPolarHBondContact O-CB 3.38Å; K422-A426 PolarHBondContact O-N 3.28Å; L424-A426 VanDerWaalsContact C-N 3.33Å; L424-A426 PolarHBondContact O-N 3.42Å; A426-G430 PolarHBondContact O-N 3.37Å
427K96.5Very high96Very high149 Ų14996.5 Ų96.565%0.64850%0.497SS*.Hα-helixtrans-65.1-44.2174.6-78.4177.6177.2-179.60112.3Q423 L424 G430 M431Q423-K427 WeakPolarHBondContact O-CG 3.48Å; Q423-K427 PolarHBondContact O-N 3.31Å; Q423-K427 VanDerWaalsContact O-N 3.09Å; L424-K427 PolarHBondContact O-N 3.06Å; L424-K427 VanDerWaalsContact O-N 3.17Å; K427-G430 PolarHBondContact O-N 2.9Å; K427-M431 WeakPolarHBondContact O-CB 3.5Å; K427-M431 PolarHBondContact O-N 3.29Å
428C95.7Very high96Very high72 Ų7296.5 Ų96.549%0.48650%0.501SS..Hα-helixtrans-59.8-47.9176.1-71.10000111L424 E425 G430 M431 T432L424-C428 WeakPolarHBondContact O-CB 3.38Å; L424-C428 PolarHBondContact O-N 2.84Å; L424-C428 PolarHBondContact O-SG 3.03Å; E425-C428 PolarHBondContact O-N 2.97Å; C428-G430 PolarHBondContact O-N 2.96Å; C428-M431 PolarHBondContact O-N 3.13Å; C428-M431 VanDerWaalsContact O-N 3.13Å; C428-T432 PolarHBondContact O-N 3.14Å; C428-T432 PolarHBondContact O-OG1 3.35Å; C428-T432 VanDerWaalsContact O-OG1 3.14Å
429K96.1Very high96Very high149 Ų14996.9 Ų96.965%0.64851%0.506SS*.Hα-helixtrans-59.9-43175.5-173.8173-178.1175.10112.3E425 M431 T432 N433E425-K429 WeakPolarHBondContact O-CB 3.35Å; E425-K429 PolarHBondContact O-N 2.88Å; K429-M431 VanDerWaalsContact C-N 3.32Å; K429-M431 PolarHBondContact O-N 3.44Å; K429-T432 PolarHBondContact O-N 2.91Å; K429-N433 PolarHBondContact O-N 3.44Å; K429-N433 VanDerWaalsContact O-N 3.08Å; K429-N433 PolarHBondContact O-OD1 3.2Å; K429-N433 VanDerWaalsContact O-OD1 3.08Å
430G95.5Very high96Very high35 Ų3598.4 Ų98.436%0.36151%0.508SS..Hα-helixtrans-59.4-41.2173.900000112.9A426 K427 C428 N433 V434A426-G430 PolarHBondContact O-N 3.37Å; K427-G430 PolarHBondContact O-N 2.9Å; C428-G430 PolarHBondContact O-N 2.96Å; G430-N433 PolarHBondContact O-N 3.21Å; G430-V434 WeakPolarHBondContact O-CG2 3.34Å; G430-V434 PolarHBondContact O-N 3.25Å
431M96.5Very high96Very high121 Ų121102.7 Ų102.760%0.59652%0.519SS*.Hα-helixtrans-69.6-38.6177.6-168.8162.267.600112.5K427 C428 K429 V434 I435K427-M431 WeakPolarHBondContact O-CB 3.5Å; K427-M431 PolarHBondContact O-N 3.29Å; C428-M431 PolarHBondContact O-N 3.13Å; C428-M431 VanDerWaalsContact O-N 3.13Å; K429-M431 VanDerWaalsContact C-N 3.32Å; K429-M431 PolarHBondContact O-N 3.44Å; M431-V434 PolarHBondContact O-N 3.43Å; M431-I435 HydrophobicContact CG-CD1 4.17Å; M431-I435 WeakPolarHBondContact O-CG1 3.49Å; M431-I435 PolarHBondContact O-N 2.93Å
432T95.8Very high96Very high69 Ų69102.8 Ų102.842%0.42352%0.52SS..Hα-helixtrans-57.8-48.5171.8-570000111.2C428 K429 V434 I435 E436C428-T432 PolarHBondContact O-N 3.14Å; C428-T432 PolarHBondContact O-OG1 3.35Å; C428-T432 VanDerWaalsContact O-OG1 3.14Å; K429-T432 PolarHBondContact O-N 2.91Å; T432-V434 PolarHBondContact O-N 3.13Å; T432-I435 PolarHBondContact O-N 3.08Å; T432-I435 VanDerWaalsContact O-N 3.07Å; T432-E436 WeakPolarHBondContact O-CG 3.48Å; T432-E436 PolarHBondContact O-N 2.88Å
433N95.4Very high96Very high72 Ų7298.8 Ų98.839%0.38551%0.512SS..Hα-helixtrans-58.9-35.3177.5-67.915.3000112.5K429 G430 Q437K429-N433 PolarHBondContact O-N 3.44Å; K429-N433 VanDerWaalsContact O-N 3.08Å; K429-N433 PolarHBondContact O-OD1 3.2Å; K429-N433 VanDerWaalsContact O-OD1 3.08Å; G430-N433 PolarHBondContact O-N 3.21Å; N433-Q437 WeakPolarHBondContact O-CG 3.36Å; N433-Q437 PolarHBondContact O-N 3.07Å; N433-Q437 VanDerWaalsContact O-N 3.13Å
434V96Very high96Very high91 Ų9198.2 Ų98.255%0.55251%0.508SS*.Hα-helixtrans-70.8-39.6175.81710000111.4G430 M431 T432 Q437 M438G430-V434 WeakPolarHBondContact O-CG2 3.34Å; G430-V434 PolarHBondContact O-N 3.25Å; M431-V434 PolarHBondContact O-N 3.43Å; T432-V434 PolarHBondContact O-N 3.13Å; V434-Q437 PolarHBondContact O-N 3.46Å; V434-M438 WeakPolarHBondContact O-CB 3.44Å; V434-M438 PolarHBondContact O-N 3.08Å
435I96.4Very high96Very high88 Ų8898.8 Ų98.845%0.45151%0.511SS..Hα-helixtrans-64.6-41.9175.4-69164000110.7M431 T432 M438 N439M431-I435 HydrophobicContact CG-CD1 4.17Å; M431-I435 WeakPolarHBondContact O-CG1 3.49Å; M431-I435 PolarHBondContact O-N 2.93Å; T432-I435 PolarHBondContact O-N 3.08Å; T432-I435 VanDerWaalsContact O-N 3.07Å; I435-M438 PolarHBondContact O-N 2.86Å; I435-N439 WeakPolarHBondContact O-CB 3.45Å; I435-N439 VanDerWaalsContact O-CG 3.25Å; I435-N439 PolarHBondContact O-N 3.24Å; I435-N439 PolarHBondContact O-ND2 3.33Å
436E95.7Very high96Very high118 Ų11895.5 Ų95.555%0.55150%0.504SS*.Hα-helixtrans-60.3-48.2174.8-72.9173.9179.900111.8T432 M438 N439 E440T432-E436 WeakPolarHBondContact O-CG 3.48Å; T432-E436 PolarHBondContact O-N 2.88Å; E436-M438 VanDerWaalsContact C-N 3.3Å; E436-M438 PolarHBondContact O-N 3.28Å; E436-N439 PolarHBondContact O-N 2.91Å; E436-E440 PolarHBondContact O-N 3.29Å
437Q95.9Very high96Very high102 Ų10298 Ų9848%0.47751%0.508SS..Hα-helixtrans-62.4-35.3174.8-71.9175.734.300112.8N433 V434 R441N433-Q437 WeakPolarHBondContact O-CG 3.36Å; N433-Q437 PolarHBondContact O-N 3.07Å; N433-Q437 VanDerWaalsContact O-N 3.13Å; V434-Q437 PolarHBondContact O-N 3.46Å; Q437-R441 VanDerWaalsContact O-CG 3.3Å; Q437-R441 WeakPolarHBondContact O-CG 3.3Å; Q437-R441 PolarHBondContact O-N 2.92Å
438M96.2Very high96Very high118 Ų11895.9 Ų95.958%0.58150%0.5SS*.Hα-helixtrans-69.1-41.7176.4-174.4166.6175.400111.4V434 I435 E436 R441 I442V434-M438 WeakPolarHBondContact O-CB 3.44Å; V434-M438 PolarHBondContact O-N 3.08Å; I435-M438 PolarHBondContact O-N 2.86Å; E436-M438 VanDerWaalsContact C-N 3.3Å; E436-M438 PolarHBondContact O-N 3.28Å; M438-R441 PolarHBondContact O-N 3.27Å; M438-I442 HydrophobicContact CE-CD1 4.42Å; M438-I442 HydrophobicContact CG-CD1 4.08Å; M438-I442 VanDerWaalsContact O-CG1 3.29Å; M438-I442 WeakPolarHBondContact O-CG1 3.29Å; M438-I442 PolarHBondContact O-N 2.71Å
439N96.4Very high96Very high94 Ų9497.6 Ų97.650%0.50350%0.5SS..Hα-helixtrans-63.6-40.6174.2-71.1-24.5000111.9I435 E436 R441 I442 A443I435-N439 WeakPolarHBondContact O-CB 3.45Å; I435-N439 VanDerWaalsContact O-CG 3.25Å; I435-N439 PolarHBondContact O-N 3.24Å; I435-N439 PolarHBondContact O-ND2 3.33Å; E436-N439 PolarHBondContact O-N 2.91Å; N439-R441 VanDerWaalsContact C-N 3.35Å; N439-R441 PolarHBondContact O-N 3.39Å; N439-I442 PolarHBondContact O-N 2.64Å; N439-A443 PolarHBondContact O-N 3.46Å
440E95.6Very high96Very high104 Ų10493.4 Ų93.449%0.48649%0.486SS..Hα-helixtrans-62.5-40.9174.8-161.7-155.4168.700111.8E436 A443 K444E436-E440 PolarHBondContact O-N 3.29Å; E440-A443 PolarHBondContact O-N 3.06Å; E440-K444 VanDerWaalsContact CD-NZ 3.28Å; E440-K444 WeakPolarHBondContact O-CG 3.29Å; E440-K444 PolarHBondContact O-N 3.48Å; E440-K444 WeakPolarHBondContact OE1-CE 3.33Å; E440-K444 IonicContact OE1-NZ 2.75Å; E440-K444 PolarHBondContact OE1-NZ 3.38Å; E440-K444 IonicContact OE2-NZ 3.25Å
441R97Very high96Very high161 Ų16194 Ų9461%0.60849%0.485SS*.Hα-helixtrans-64.7-42.5173.8-72172.9-172-163.93.8112.1Q437 M438 N439 A443 K444 L445Q437-R441 VanDerWaalsContact O-CG 3.3Å; Q437-R441 WeakPolarHBondContact O-CG 3.3Å; Q437-R441 PolarHBondContact O-N 2.92Å; M438-R441 PolarHBondContact O-N 3.27Å; N439-R441 VanDerWaalsContact C-N 3.35Å; N439-R441 PolarHBondContact O-N 3.39Å; R441-A443 VanDerWaalsContact C-N 3.31Å; R441-A443 PolarHBondContact O-N 2.92Å; R441-K444 PolarHBondContact O-N 2.88Å; R441-L445 WeakPolarHBondContact O-CB 3.47Å; R441-L445 WeakPolarHBondContact O-CG 3.16Å; R441-L445 PolarHBondContact O-N 3.47Å
442I96.1Very high95.9Very high90 Ų9094.1 Ų94.146%0.46248%0.484SS..Hα-helixtrans-60.9-41.8175.5-70.6163.7000110.5M438 N439 L445 A446M438-I442 HydrophobicContact CE-CD1 4.42Å; M438-I442 HydrophobicContact CG-CD1 4.08Å; M438-I442 VanDerWaalsContact O-CG1 3.29Å; M438-I442 WeakPolarHBondContact O-CG1 3.29Å; M438-I442 PolarHBondContact O-N 2.71Å; N439-I442 PolarHBondContact O-N 2.64Å; I442-L445 PolarHBondContact O-N 2.94Å; I442-A446 VanDerWaalsContact O-CB 3.29Å; I442-A446 WeakPolarHBondContact O-CB 3.43Å; I442-A446 PolarHBondContact O-N 3.28Å
443A95.6Very high95.9Very high52 Ų5295.3 Ų95.343%0.4349%0.485SS..Hα-helixtrans-64.6-39.3176.400000113N439 E440 R441 A446 N447N439-A443 PolarHBondContact O-N 3.46Å; E440-A443 PolarHBondContact O-N 3.06Å; R441-A443 VanDerWaalsContact C-N 3.31Å; R441-A443 PolarHBondContact O-N 2.92Å; A443-A446 PolarHBondContact O-N 2.89Å; A443-N447 PolarHBondContact O-N 3.1Å; A443-N447 VanDerWaalsContact O-N 3.1Å; A443-N447 PolarHBondContact O-ND2 2.61Å
444K96.2Very high96Very high102 Ų10298.8 Ų98.844%0.44349%0.493SS..Hα-helixtrans-64.3-51.1174.1-72170.6-174.4171.10111.5E440 R441 A446 N447 E448E440-K444 VanDerWaalsContact CD-NZ 3.28Å; E440-K444 WeakPolarHBondContact O-CG 3.29Å; E440-K444 PolarHBondContact O-N 3.48Å; E440-K444 WeakPolarHBondContact OE1-CE 3.33Å; E440-K444 IonicContact OE1-NZ 2.75Å; E440-K444 PolarHBondContact OE1-NZ 3.38Å; E440-K444 IonicContact OE2-NZ 3.25Å; R441-K444 PolarHBondContact O-N 2.88Å; K444-A446 VanDerWaalsContact C-N 3.27Å; K444-A446 PolarHBondContact O-N 3.1Å; K444-N447 PolarHBondContact O-N 3.3Å; K444-N447 VanDerWaalsContact O-N 3.1Å; K444-E448 WeakPolarHBondContact O-CG 3.47Å; K444-E448 PolarHBondContact O-N 3.03Å
445L96.2Very high96Very high105 Ų10597.4 Ų97.455%0.5548%0.482SS..Hα-helixtrans-60-34.9176.9-69.6169.1000112.6R441 I442 K449R441-L445 WeakPolarHBondContact O-CB 3.47Å; R441-L445 WeakPolarHBondContact O-CG 3.16Å; R441-L445 PolarHBondContact O-N 3.47Å; I442-L445 PolarHBondContact O-N 2.94Å; L445-K449 VanDerWaalsContact O-CB 3.24Å; L445-K449 WeakPolarHBondContact O-CB 3.41Å; L445-K449 PolarHBondContact O-N 3.35Å
446A95.9Very high95.9Very high48 Ų4897.7 Ų97.740%0.39748%0.484SS..Hα-helixtrans-66.6-42.4174.200000112.3I442 A443 K444 V450I442-A446 VanDerWaalsContact O-CB 3.29Å; I442-A446 WeakPolarHBondContact O-CB 3.43Å; I442-A446 PolarHBondContact O-N 3.28Å; A443-A446 PolarHBondContact O-N 2.89Å; K444-A446 VanDerWaalsContact C-N 3.27Å; K444-A446 PolarHBondContact O-N 3.1Å; A446-V450 VanDerWaalsContact O-CG2 3.32Å; A446-V450 WeakPolarHBondContact O-CG2 3.25Å; A446-V450 PolarHBondContact O-N 3.43Å
447N95.5Very high95.9Very high119 Ų11999.6 Ų99.664%0.63649%0.487SS*.Hα-helixtrans-66.4-41.1175.2-75.2-37.7000112.2A443 K444 V450 S451A443-N447 PolarHBondContact O-N 3.1Å; A443-N447 VanDerWaalsContact O-N 3.1Å; A443-N447 PolarHBondContact O-ND2 2.61Å; K444-N447 PolarHBondContact O-N 3.3Å; K444-N447 VanDerWaalsContact O-N 3.1Å; N447-V450 PolarHBondContact O-N 3.5Å; N447-S451 PolarHBondContact O-N 2.9Å
448E95.9Very high95.9Very high103 Ų10399.8 Ų99.848%0.48149%0.487SS..Hα-helixtrans-61.4-48.3174.5-72.7166.2-15600111.2K444 V450 S451 Q452K444-E448 WeakPolarHBondContact O-CG 3.47Å; K444-E448 PolarHBondContact O-N 3.03Å; E448-V450 PolarHBondContact O-N 3.21Å; E448-S451 WeakPolarHBondContact O-CB 3.24Å; E448-S451 PolarHBondContact O-N 2.84Å; E448-S451 VanDerWaalsContact O-N 3.11Å; E448-Q452 WeakPolarHBondContact O-CG 3.39Å; E448-Q452 PolarHBondContact O-N 3.38Å
449K96.6Very high95.9Very high109 Ų10999 Ų9947%0.47448%0.484SS..Hα-helixtrans-54.3-49.6173.6176-178176.4-71.60111.5L445 S451 Q452 E453L445-K449 VanDerWaalsContact O-CB 3.24Å; L445-K449 WeakPolarHBondContact O-CB 3.41Å; L445-K449 PolarHBondContact O-N 3.35Å; K449-S451 VanDerWaalsContact C-N 3.27Å; K449-S451 PolarHBondContact O-N 2.99Å; K449-Q452 PolarHBondContact O-N 3.47Å; K449-E453 WeakPolarHBondContact CE-OE1 3.39Å; K449-E453 HydrophobicContact CG-CG 4.46Å; K449-E453 IonicContact NZ-OE1 3.11Å; K449-E453 PolarHBondContact NZ-OE1 2.91Å; K449-E453 IonicContact NZ-OE2 2.78Å; K449-E453 PolarHBondContact NZ-OE2 3.11Å; K449-E453 WeakPolarHBondContact O-CG 3.24Å; K449-E453 PolarHBondContact O-N 3.2Å
450V96Very high95.9Very high61 Ų61103 Ų10337%0.3749%0.493SS..Hα-helixtrans-65.3-30.4180171.40000111.7A446 N447 E448 R454A446-V450 VanDerWaalsContact O-CG2 3.32Å; A446-V450 WeakPolarHBondContact O-CG2 3.25Å; A446-V450 PolarHBondContact O-N 3.43Å; N447-V450 PolarHBondContact O-N 3.5Å; E448-V450 PolarHBondContact O-N 3.21Å; V450-R454 WeakPolarHBondContact O-CG 3.32Å; V450-R454 PolarHBondContact O-N 3.1Å
451S94.9Very high95.9Very high48 Ų48103.1 Ų103.134%0.33649%0.493SS..Hα-helixtrans-68.2-49.5170.6-156.30000111.7N447 E448 K449 E453 R454 D455N447-S451 PolarHBondContact O-N 2.9Å; E448-S451 WeakPolarHBondContact O-CB 3.24Å; E448-S451 PolarHBondContact O-N 2.84Å; E448-S451 VanDerWaalsContact O-N 3.11Å; K449-S451 VanDerWaalsContact C-N 3.27Å; K449-S451 PolarHBondContact O-N 2.99Å; S451-E453 PolarHBondContact O-N 3.04Å; S451-R454 WeakPolarHBondContact O-CB 3.49Å; S451-R454 PolarHBondContact O-N 2.84Å; S451-D455 PolarHBondContact O-N 2.98Å
452Q95.6Very high95.8Very high122 Ų122101.2 Ų101.257%0.5749%0.491SS*.Hα-helixtrans-58-36.9177.4-68.9171.53.900112E448 K449 D455 L456E448-Q452 WeakPolarHBondContact O-CG 3.39Å; E448-Q452 PolarHBondContact O-N 3.38Å; K449-Q452 PolarHBondContact O-N 3.47Å; Q452-D455 PolarHBondContact O-N 3.23Å; Q452-L456 VanDerWaalsContact O-CB 3.29Å; Q452-L456 WeakPolarHBondContact O-CB 3.47Å; Q452-L456 VanDerWaalsContact O-CG 3.25Å; Q452-L456 WeakPolarHBondContact O-CG 3.41Å; Q452-L456 PolarHBondContact O-N 3.27Å
453E96Very high95.8Very high94 Ų94101.7 Ų101.744%0.43949%0.494SS..Hα-helixtrans-65.9-36.8174.9-75.4174.9137.500112.8K449 S451 Y457K449-E453 WeakPolarHBondContact CE-OE1 3.39Å; K449-E453 HydrophobicContact CG-CG 4.46Å; K449-E453 IonicContact NZ-OE1 3.11Å; K449-E453 PolarHBondContact NZ-OE1 2.91Å; K449-E453 IonicContact NZ-OE2 2.78Å; K449-E453 PolarHBondContact NZ-OE2 3.11Å; K449-E453 WeakPolarHBondContact O-CG 3.24Å; K449-E453 PolarHBondContact O-N 3.2Å; S451-E453 PolarHBondContact O-N 3.04Å; E453-Y457 WeakPolarHBondContact O-CB 3.48Å; E453-Y457 PolarHBondContact O-N 2.99Å
454R95.6Very high95.8Very high145 Ų145102.4 Ų102.455%0.54750%0.496SS..Hα-helixtrans-67.4-41.4172-66.2179.5-156.2116.1-4112V450 S451 Y457 K458V450-R454 WeakPolarHBondContact O-CG 3.32Å; V450-R454 PolarHBondContact O-N 3.1Å; S451-R454 WeakPolarHBondContact O-CB 3.49Å; S451-R454 PolarHBondContact O-N 2.84Å; R454-Y457 WeakPolarHBondContact O-CB 3.29Å; R454-Y457 PolarHBondContact O-N 2.95Å; R454-K458 WeakPolarHBondContact O-CG 3.44Å; R454-K458 PolarHBondContact O-N 3.03Å; R454-K458 VanDerWaalsContact O-N 3.08Å
455D96.2Very high95.7Very high63 Ų63101 Ų10134%0.33749%0.493SS..Hα-helixtrans-73.8-35.3-177.2-62.6-40.7000111.3S451 Q452 Y457 K458 L459S451-D455 PolarHBondContact O-N 2.98Å; Q452-D455 PolarHBondContact O-N 3.23Å; D455-Y457 VanDerWaalsContact C-N 3.32Å; D455-Y457 PolarHBondContact O-N 3.31Å; D455-K458 PolarHBondContact O-N 3.28Å; D455-K458 IonicContact OD1-NZ 3.74Å; D455-K458 PolarHBondContact OD1-NZ 3.01Å; D455-L459 WeakPolarHBondContact O-CG 3.23Å; D455-L459 PolarHBondContact O-N 3.42Å
456L95.7Very high95.6Very high94 Ų9498.5 Ų98.549%0.49249%0.485SS..Hα-helixtrans-63.8-32.7166.8-75171.3000112.9Q452 R460Q452-L456 VanDerWaalsContact O-CB 3.29Å; Q452-L456 WeakPolarHBondContact O-CB 3.47Å; Q452-L456 VanDerWaalsContact O-CG 3.25Å; Q452-L456 WeakPolarHBondContact O-CG 3.41Å; Q452-L456 PolarHBondContact O-N 3.27Å; L456-R460 VanDerWaalsContact O-CG 3.24Å; L456-R460 WeakPolarHBondContact O-CG 3.48Å; L456-R460 PolarHBondContact O-N 3.35Å; L456-R460 VanDerWaalsContact O-N 3.1Å
457Y95.4Very high95.6Very high158 Ų158100.3 Ų100.362%0.6249%0.488SS*.Hα-helixtrans-65-49.3173.5-176.1-81000111E453 R454 D455 L459 R460 E461E453-Y457 WeakPolarHBondContact O-CB 3.48Å; E453-Y457 PolarHBondContact O-N 2.99Å; R454-Y457 WeakPolarHBondContact O-CB 3.29Å; R454-Y457 PolarHBondContact O-N 2.95Å; D455-Y457 VanDerWaalsContact C-N 3.32Å; D455-Y457 PolarHBondContact O-N 3.31Å; Y457-L459 PolarHBondContact O-N 3.38Å; Y457-R460 WeakPolarHBondContact O-CB 3.35Å; Y457-R460 PolarHBondContact O-N 2.68Å; Y457-R460 VanDerWaalsContact O-N 3.15Å; Y457-E461 PolarHBondContact O-N 3.44Å
458K96Very high95.6Very high105 Ų10598.5 Ų98.546%0.45748%0.481SS..Hα-helixtrans-56.2-47.7175.4-63.2168.4-167.2161.90111.7R454 D455 R460 E461 E462R454-K458 WeakPolarHBondContact O-CG 3.44Å; R454-K458 PolarHBondContact O-N 3.03Å; R454-K458 VanDerWaalsContact O-N 3.08Å; D455-K458 PolarHBondContact O-N 3.28Å; D455-K458 IonicContact OD1-NZ 3.74Å; D455-K458 PolarHBondContact OD1-NZ 3.01Å; K458-R460 VanDerWaalsContact C-N 3.28Å; K458-R460 PolarHBondContact O-N 3.08Å; K458-E461 CarbonylContact O-C 3.47Å; K458-E461 WeakPolarHBondContact O-CB 3.4Å; K458-E461 PolarHBondContact O-N 2.75Å; K458-E461 VanDerWaalsContact O-N 3.08Å; K458-E462 WeakPolarHBondContact O-CG 3.46Å; K458-E462 PolarHBondContact O-N 3.15Å
459L95.6Very high95.5Very high102 Ų102101.1 Ų101.153%0.53449%0.486SS..Hα-helixtrans-63.1-31.8179.7-71.9168.8000112.7D455 Y457 L463D455-L459 WeakPolarHBondContact O-CG 3.23Å; D455-L459 PolarHBondContact O-N 3.42Å; Y457-L459 PolarHBondContact O-N 3.38Å; L459-L463 VanDerWaalsContact O-CB 3.23Å; L459-L463 WeakPolarHBondContact O-CB 3.39Å; L459-L463 PolarHBondContact O-N 2.91Å
460R96.6Very high95.4Very high179 Ų17998.3 Ų98.368%0.67548%0.48SS*.Hα-helixtrans-71.4-37.7172-72.7169.1-172.9-83.61.9112.4L456 Y457 K458 S464L456-R460 VanDerWaalsContact O-CG 3.24Å; L456-R460 WeakPolarHBondContact O-CG 3.48Å; L456-R460 PolarHBondContact O-N 3.35Å; L456-R460 VanDerWaalsContact O-N 3.1Å; Y457-R460 WeakPolarHBondContact O-CB 3.35Å; Y457-R460 PolarHBondContact O-N 2.68Å; Y457-R460 VanDerWaalsContact O-N 3.15Å; K458-R460 VanDerWaalsContact C-N 3.28Å; K458-R460 PolarHBondContact O-N 3.08Å; R460-S464 VanDerWaalsContact O-CB 3.3Å; R460-S464 WeakPolarHBondContact O-CB 3.37Å; R460-S464 PolarHBondContact O-N 2.82Å
461E94.6Very high95.4Very high105 Ų10599.3 Ų99.349%0.49149%0.486SS..Hα-helixtrans-67.1-44.4174.7-179169.1-154.700111.1Y457 K458 S464 N465Y457-E461 PolarHBondContact O-N 3.44Å; K458-E461 CarbonylContact O-C 3.47Å; K458-E461 WeakPolarHBondContact O-CB 3.4Å; K458-E461 PolarHBondContact O-N 2.75Å; K458-E461 VanDerWaalsContact O-N 3.08Å; E461-S464 PolarHBondContact O-N 2.92Å; E461-N465 VanDerWaalsContact O-CB 3.3Å; E461-N465 WeakPolarHBondContact O-CB 3.36Å; E461-N465 VanDerWaalsContact O-CG 3.31Å; E461-N465 PolarHBondContact O-N 3.02Å; E461-N465 PolarHBondContact O-ND2 3.43Å
462E95.8Very high95.3Very high121 Ų121101.8 Ų101.857%0.56549%0.493SS*.Hα-helixtrans-61.4-43.3173.1-72.7174.4-174.800112.1K458 N465 S466K458-E462 WeakPolarHBondContact O-CG 3.46Å; K458-E462 PolarHBondContact O-N 3.15Å; E462-N465 CarbonylContact O-C 3.57Å; E462-N465 PolarHBondContact O-N 3.25Å; E462-S466 PolarHBondContact O-N 2.84Å
463L95.8Very high95.2Very high101 Ų101101.8 Ų101.853%0.52949%0.493SS..Hα-helixtrans-63.5-47.9175.4-179.360.8000111.7L459 N465 S466 D467L459-L463 VanDerWaalsContact O-CB 3.23Å; L459-L463 WeakPolarHBondContact O-CB 3.39Å; L459-L463 PolarHBondContact O-N 2.91Å; L463-N465 VanDerWaalsContact C-N 3.29Å; L463-N465 PolarHBondContact O-N 2.79Å; L463-S466 CarbonylContact O-C 3.57Å; L463-S466 WeakPolarHBondContact O-CA 3.3Å; L463-S466 WeakPolarHBondContact O-CB 3.42Å; L463-S466 PolarHBondContact O-N 2.91Å; L463-D467 PolarHBondContact O-N 3.35Å
464S95.2Very high95.2Very high67 Ų67102.6 Ų102.647%0.46950%0.499SS..Hα-helixtrans-59.1-39.9175.7-176.10000112.2R460 E461 S466 T468R460-S464 VanDerWaalsContact O-CB 3.3Å; R460-S464 WeakPolarHBondContact O-CB 3.37Å; R460-S464 PolarHBondContact O-N 2.82Å; E461-S464 PolarHBondContact O-N 2.92Å; S464-S466 VanDerWaalsContact C-N 3.28Å; S464-S466 PolarHBondContact O-N 3.08Å; S464-T468 WeakPolarHBondContact O-CB 3.3Å; S464-T468 WeakPolarHBondContact O-CG2 3.44Å; S464-T468 PolarHBondContact O-N 2.99Å; S464-T468 PolarHBondContact O-OG1 2.8Å
465N95.2Very high95.2Very high71 Ų71100.7 Ų100.738%0.3850%0.495SS..Hα-helixtrans-69.3-22.1172.7-77.8-55.9000113.3E461 E462 L463 T468 R469E461-N465 VanDerWaalsContact O-CB 3.3Å; E461-N465 WeakPolarHBondContact O-CB 3.36Å; E461-N465 VanDerWaalsContact O-CG 3.31Å; E461-N465 PolarHBondContact O-N 3.02Å; E461-N465 PolarHBondContact O-ND2 3.43Å; E462-N465 CarbonylContact O-C 3.57Å; E462-N465 PolarHBondContact O-N 3.25Å; L463-N465 VanDerWaalsContact C-N 3.29Å; L463-N465 PolarHBondContact O-N 2.79Å; N465-T468 WeakPolarHBondContact CA-OG1 3.32Å; N465-T468 PolarHBondContact O-OG1 3.32Å; N465-R469 WeakPolarHBondContact O-CD 3.31Å; N465-R469 WeakPolarHBondContact O-CG 3.43Å; N465-R469 PolarHBondContact O-NE 3.14Å; N465-R469 VanDerWaalsContact O-NE 3.09Å
466S94.2Very high95.1Very high54 Ų54101.1 Ų101.138%0.37850%0.5SS..Hα-helixtrans-81.3-48.4171.7-166.40000111.1E462 L463 S464 T468 R469 S470E462-S466 PolarHBondContact O-N 2.84Å; L463-S466 CarbonylContact O-C 3.57Å; L463-S466 WeakPolarHBondContact O-CA 3.3Å; L463-S466 WeakPolarHBondContact O-CB 3.42Å; L463-S466 PolarHBondContact O-N 2.91Å; S464-S466 VanDerWaalsContact C-N 3.28Å; S464-S466 PolarHBondContact O-N 3.08Å; S466-T468 VanDerWaalsContact C-N 3.32Å; S466-T468 PolarHBondContact O-N 2.9Å; S466-R469 WeakPolarHBondContact O-CB 3.14Å; S466-R469 PolarHBondContact O-N 3.39Å; S466-R469 VanDerWaalsContact O-N 3.09Å; S466-S470 PolarHBondContact O-N 3.48Å; S466-S470 PolarHBondContact O-OG 3.09Å
467D95.4Very high95.1Very high86 Ų86100.9 Ų100.946%0.4650%0.498SS..Hα-helixtrans-58.6-43.4179.8-68.2-20.2000111.3L463 R469 S470 V471L463-D467 PolarHBondContact O-N 3.35Å; D467-R469 PolarHBondContact O-N 3.22Å; D467-S470 PolarHBondContact O-N 3.09Å; D467-V471 WeakPolarHBondContact O-CG2 3.16Å; D467-V471 PolarHBondContact O-N 3.38Å
468T94.6Very high95Very high81 Ų8199.6 Ų99.650%0.49750%0.498SS..Hα-helixtrans-63.4-38.6175.246.20000112.9S464 N465 S466 E472S464-T468 WeakPolarHBondContact O-CB 3.3Å; S464-T468 WeakPolarHBondContact O-CG2 3.44Å; S464-T468 PolarHBondContact O-N 2.99Å; S464-T468 PolarHBondContact O-OG1 2.8Å; N465-T468 WeakPolarHBondContact CA-OG1 3.32Å; N465-T468 PolarHBondContact O-OG1 3.32Å; S466-T468 VanDerWaalsContact C-N 3.32Å; S466-T468 PolarHBondContact O-N 2.9Å; T468-E472 PolarHBondContact O-N 3.07Å
469R95Very high94.9Very high158 Ų15899.1 Ų99.160%0.59650%0.5SS*.Hα-helixtrans-65.3-42.1172-68165.6-162.9160.47.1111.5N465 S466 D467 E472 Q473N465-R469 WeakPolarHBondContact O-CD 3.31Å; N465-R469 WeakPolarHBondContact O-CG 3.43Å; N465-R469 PolarHBondContact O-NE 3.14Å; N465-R469 VanDerWaalsContact O-NE 3.09Å; S466-R469 WeakPolarHBondContact O-CB 3.14Å; S466-R469 PolarHBondContact O-N 3.39Å; S466-R469 VanDerWaalsContact O-N 3.09Å; D467-R469 PolarHBondContact O-N 3.22Å; R469-E472 PolarHBondContact O-N 2.87Å; R469-Q473 WeakPolarHBondContact O-CB 3.44Å; R469-Q473 VanDerWaalsContact O-CG 3.32Å; R469-Q473 WeakPolarHBondContact O-CG 3.33Å; R469-Q473 PolarHBondContact O-N 3.27Å
470S94.2Very high94.9Very high50 Ų5099 Ų9935%0.3550%0.497SS..Hα-helixtrans-65.5-39.6178.2-64.80000112.1S466 D467 Q473 L474S466-S470 PolarHBondContact O-N 3.48Å; S466-S470 PolarHBondContact O-OG 3.09Å; D467-S470 PolarHBondContact O-N 3.09Å; S470-Q473 PolarHBondContact O-N 3.37Å; S470-L474 VanDerWaalsContact O-CG 3.31Å; S470-L474 WeakPolarHBondContact O-CG 3.35Å; S470-L474 PolarHBondContact O-N 2.9Å
471V94.9Very high94.8Very high81 Ų8193 Ų9349%0.49148%0.483SS..Hα-helixtrans-63.1-41.7172.6168.20000111.4D467 L474 K475D467-V471 WeakPolarHBondContact O-CG2 3.16Å; D467-V471 PolarHBondContact O-N 3.38Å; V471-L474 PolarHBondContact O-N 3.39Å; V471-K475 PolarHBondContact O-N 2.67Å; V471-K475 VanDerWaalsContact O-N 3.14Å
472E93.7Very high94.8Very high101 Ų10190.9 Ų90.947%0.47248%0.479SS..Hα-helixtrans-68-39.5176.8-156.561.3-145.100112T468 R469 L474 K475 V476T468-E472 PolarHBondContact O-N 3.07Å; R469-E472 PolarHBondContact O-N 2.87Å; E472-L474 VanDerWaalsContact C-N 3.32Å; E472-L474 PolarHBondContact O-N 2.72Å; E472-K475 PolarHBondContact O-N 2.79Å; E472-K475 IonicContact OE1-NZ 2.79Å; E472-K475 IonicContact OE2-NZ 3.84Å; E472-K475 PolarHBondContact OE2-NZ 2.81Å; E472-V476 WeakPolarHBondContact O-CG2 3.36Å; E472-V476 PolarHBondContact O-N 3.45Å; E472-V476 VanDerWaalsContact O-N 3.1Å
473Q94.5Very high94.7Very high122 Ų12289.9 Ų89.957%0.5747%0.474SS*.Hα-helixtrans-60.9-39.4172.1-75173.8-12.900112.1R469 S470 V476 I477R469-Q473 WeakPolarHBondContact O-CB 3.44Å; R469-Q473 VanDerWaalsContact O-CG 3.32Å; R469-Q473 WeakPolarHBondContact O-CG 3.33Å; R469-Q473 PolarHBondContact O-N 3.27Å; S470-Q473 PolarHBondContact O-N 3.37Å; Q473-V476 PolarHBondContact O-N 2.88Å; Q473-I477 VanDerWaalsContact O-CG1 3.29Å; Q473-I477 WeakPolarHBondContact O-CG1 3.29Å; Q473-I477 PolarHBondContact O-N 2.83Å
474L95.3Very high94.6Very high110 Ų11089.1 Ų89.158%0.57647%0.47SS*.Hα-helixtrans-62.6-42.6175.6-75.9168.8000112.1S470 V471 E472 V476 I477 E478S470-L474 VanDerWaalsContact O-CG 3.31Å; S470-L474 WeakPolarHBondContact O-CG 3.35Å; S470-L474 PolarHBondContact O-N 2.9Å; V471-L474 PolarHBondContact O-N 3.39Å; E472-L474 VanDerWaalsContact C-N 3.32Å; E472-L474 PolarHBondContact O-N 2.72Å; L474-V476 VanDerWaalsContact C-N 3.31Å; L474-V476 PolarHBondContact O-N 3.39Å; L474-I477 PolarHBondContact O-N 3.42Å; L474-E478 WeakPolarHBondContact O-CB 3.32Å; L474-E478 PolarHBondContact O-N 3.29Å
475K94.9Very high94.6Very high106 Ų10690.7 Ų90.746%0.46147%0.47SS..Hα-helixtrans-60.1-40.9173.2-63172.3-166.6166.10112.2V471 E472 E478 N479V471-K475 PolarHBondContact O-N 2.67Å; V471-K475 VanDerWaalsContact O-N 3.14Å; E472-K475 PolarHBondContact O-N 2.79Å; E472-K475 IonicContact OE1-NZ 2.79Å; E472-K475 IonicContact OE2-NZ 3.84Å; E472-K475 PolarHBondContact OE2-NZ 2.81Å; K475-E478 PolarHBondContact O-N 3.42Å; K475-N479 WeakPolarHBondContact O-CB 3.38Å; K475-N479 PolarHBondContact O-N 2.88Å
476V95.3Very high94.6Very high71 Ų7193.6 Ų93.643%0.4348%0.476SS..Hα-helixtrans-63.5-44.3176.9171.80000110.5E472 Q473 L474 N479 Q480E472-V476 WeakPolarHBondContact O-CG2 3.36Å; E472-V476 PolarHBondContact O-N 3.45Å; E472-V476 VanDerWaalsContact O-N 3.1Å; Q473-V476 PolarHBondContact O-N 2.88Å; L474-V476 VanDerWaalsContact C-N 3.31Å; L474-V476 PolarHBondContact O-N 3.39Å; V476-N479 PolarHBondContact O-N 3.3Å; V476-Q480 HydrophobicContact CG1-CG 4.47Å; V476-Q480 WeakPolarHBondContact O-CB 3.45Å; V476-Q480 VanDerWaalsContact O-CG 3.24Å; V476-Q480 WeakPolarHBondContact O-CG 3.3Å; V476-Q480 PolarHBondContact O-N 3.48Å
477I94.1Very high94.6Very high89 Ų8995.4 Ų95.446%0.45648%0.481SS..Hα-helixtrans-65.7-39.4176.9-68.7163.9000111.6Q473 L474 Q480 S481Q473-I477 VanDerWaalsContact O-CG1 3.29Å; Q473-I477 WeakPolarHBondContact O-CG1 3.29Å; Q473-I477 PolarHBondContact O-N 2.83Å; L474-I477 PolarHBondContact O-N 3.42Å; I477-Q480 PolarHBondContact O-N 3.24Å; I477-S481 WeakPolarHBondContact O-CB 3.49Å; I477-S481 PolarHBondContact O-N 2.92Å; I477-S481 PolarHBondContact O-OG 2.64Å
478E94.4Very high94.6Very high132 Ų13296.5 Ų96.562%0.61748%0.481SS*.Hα-helixtrans-65.6-43.7176.6-176.7175.8-153.800111.9L474 K475 S481 S482L474-E478 WeakPolarHBondContact O-CB 3.32Å; L474-E478 PolarHBondContact O-N 3.29Å; K475-E478 PolarHBondContact O-N 3.42Å; E478-S481 PolarHBondContact O-N 3.45Å; E478-S482 WeakPolarHBondContact O-CB 3.46Å; E478-S482 PolarHBondContact O-N 2.93Å; E478-S482 PolarHBondContact O-OG 3.24Å
479N94Very high94.5Very high95 Ų9596.9 Ų96.951%0.50848%0.484SS..Hα-helixtrans-65.4-43.1174-179.138.9000111.8K475 V476 S482 Q483K475-N479 WeakPolarHBondContact O-CB 3.38Å; K475-N479 PolarHBondContact O-N 2.88Å; V476-N479 PolarHBondContact O-N 3.3Å; N479-S482 CarbonylContact O-C 3.57Å; N479-S482 PolarHBondContact O-N 3.03Å; N479-Q483 WeakPolarHBondContact O-CB 3.32Å; N479-Q483 PolarHBondContact O-N 3.32Å
480Q94.6Very high94.5Very high98 Ų9894.1 Ų94.146%0.45848%0.478SS..Hα-helixtrans-61.1-42.9173.8-76.8173.8-7.500111.8V476 I477 Q483 I484V476-Q480 HydrophobicContact CG1-CG 4.47Å; V476-Q480 WeakPolarHBondContact O-CB 3.45Å; V476-Q480 VanDerWaalsContact O-CG 3.24Å; V476-Q480 WeakPolarHBondContact O-CG 3.3Å; V476-Q480 PolarHBondContact O-N 3.48Å; I477-Q480 PolarHBondContact O-N 3.24Å; Q480-Q483 PolarHBondContact O-N 2.94Å; Q480-I484 WeakPolarHBondContact O-CB 3.28Å; Q480-I484 VanDerWaalsContact O-CG1 3.28Å; Q480-I484 WeakPolarHBondContact O-CG1 3.47Å; Q480-I484 PolarHBondContact O-N 2.87Å
481S94.9Very high94.5Very high55 Ų5596.9 Ų96.939%0.38549%0.488SS..Hα-helixtrans-62.1-44174.9-57.10000111I477 E478 Q483 I484 E485I477-S481 WeakPolarHBondContact O-CB 3.49Å; I477-S481 PolarHBondContact O-N 2.92Å; I477-S481 PolarHBondContact O-OG 2.64Å; E478-S481 PolarHBondContact O-N 3.45Å; S481-Q483 PolarHBondContact O-N 3.1Å; S481-I484 PolarHBondContact O-N 2.85Å; S481-I484 VanDerWaalsContact O-N 3.16Å; S481-E485 PolarHBondContact O-N 2.83Å
482S93.9Very high94.5Very high60 Ų6097.7 Ų97.742%0.4249%0.489SS..Hα-helixtrans-66.2-23.5175.9-57.50000113.4E478 N479 R486E478-S482 WeakPolarHBondContact O-CB 3.46Å; E478-S482 PolarHBondContact O-N 2.93Å; E478-S482 PolarHBondContact O-OG 3.24Å; N479-S482 CarbonylContact O-C 3.57Å; N479-S482 PolarHBondContact O-N 3.03Å; S482-R486 WeakPolarHBondContact O-CG 3.24Å; S482-R486 PolarHBondContact O-NE 3.36Å
483Q94.8Very high94.5Very high99 Ų9997.4 Ų97.446%0.46349%0.488SS..Hα-helixtrans-81.3-40.6170.5-171.91753.400111.4N479 Q480 S481 R486 L487N479-Q483 WeakPolarHBondContact O-CB 3.32Å; N479-Q483 PolarHBondContact O-N 3.32Å; Q480-Q483 PolarHBondContact O-N 2.94Å; S481-Q483 PolarHBondContact O-N 3.1Å; Q483-R486 PolarHBondContact O-N 2.73Å; Q483-L487 HydrophobicContact CG-CD1 4.11Å; Q483-L487 WeakPolarHBondContact O-CB 3.49Å; Q483-L487 WeakPolarHBondContact O-CG 3.48Å; Q483-L487 PolarHBondContact O-N 3.32Å
484I94.2Very high94.5Very high86 Ų8697.4 Ų97.444%0.44149%0.488SS..Hα-helixtrans-62.9-43.9176.5-72.8164000111.3Q480 S481 L487 K488Q480-I484 WeakPolarHBondContact O-CB 3.28Å; Q480-I484 VanDerWaalsContact O-CG1 3.28Å; Q480-I484 WeakPolarHBondContact O-CG1 3.47Å; Q480-I484 PolarHBondContact O-N 2.87Å; S481-I484 PolarHBondContact O-N 2.85Å; S481-I484 VanDerWaalsContact O-N 3.16Å; I484-L487 PolarHBondContact O-N 3.37Å; I484-K488 HydrophobicContact CG2-CD 4.16Å; I484-K488 HydrophobicContact CG2-CG 4.49Å; I484-K488 WeakPolarHBondContact O-CB 3.48Å; I484-K488 WeakPolarHBondContact O-CG 3.4Å; I484-K488 PolarHBondContact O-N 3.16Å
485E94Very high94.4Very high99 Ų9995.1 Ų95.146%0.46348%0.479SS..Hα-helixtrans-65.7-38.2176.8-65.9-47.3130.300112.4S481 K488 T489S481-E485 PolarHBondContact O-N 2.83Å; E485-K488 WeakPolarHBondContact O-CB 3.46Å; E485-K488 PolarHBondContact O-N 3.31Å; E485-K488 IonicContact OE1-NZ 3.55Å; E485-K488 PolarHBondContact OE1-NZ 2.95Å; E485-K488 VanDerWaalsContact OE2-CD 3.3Å; E485-K488 WeakPolarHBondContact OE2-CD 3.32Å; E485-K488 IonicContact OE2-NZ 3.61Å; E485-T489 WeakPolarHBondContact O-CG2 3.49Å; E485-T489 PolarHBondContact O-N 2.88Å; E485-T489 PolarHBondContact O-OG1 3.17Å
486R94.8Very high94.3Very high132 Ų13293.8 Ų93.850%0.49848%0.476SS..Hα-helixtrans-60.6-50.8172-79.1-180-71.8162.4-1.5111.5S482 Q483 K488 T489 E490S482-R486 WeakPolarHBondContact O-CG 3.24Å; S482-R486 PolarHBondContact O-NE 3.36Å; Q483-R486 PolarHBondContact O-N 2.73Å; R486-K488 VanDerWaalsContact C-N 3.27Å; R486-K488 PolarHBondContact O-N 2.88Å; R486-T489 WeakPolarHBondContact CA-OG1 3.49Å; R486-T489 PolarHBondContact O-N 2.89Å; R486-T489 PolarHBondContact O-OG1 3.06Å; R486-E490 WeakPolarHBondContact O-CG 3.34Å; R486-E490 PolarHBondContact O-N 2.87Å
487L94.3Very high94.2Very high92 Ų9295 Ų9548%0.48248%0.477SS..Hα-helixtrans-60.4-34.3177.1-70.4169.2000112.6Q483 I484 L491Q483-L487 HydrophobicContact CG-CD1 4.11Å; Q483-L487 WeakPolarHBondContact O-CB 3.49Å; Q483-L487 WeakPolarHBondContact O-CG 3.48Å; Q483-L487 PolarHBondContact O-N 3.32Å; I484-L487 PolarHBondContact O-N 3.37Å; L487-L491 WeakPolarHBondContact O-CB 3.47Å; L487-L491 PolarHBondContact O-N 3.01Å
488K95.8Very high94.2Very high109 Ų10995.2 Ų95.247%0.47448%0.478SS..Hα-helixtrans-65.1-44.4170.8-76.5168.5175.2177.50112I484 E485 R486 L491 N492I484-K488 HydrophobicContact CG2-CD 4.16Å; I484-K488 HydrophobicContact CG2-CG 4.49Å; I484-K488 WeakPolarHBondContact O-CB 3.48Å; I484-K488 WeakPolarHBondContact O-CG 3.4Å; I484-K488 PolarHBondContact O-N 3.16Å; E485-K488 WeakPolarHBondContact O-CB 3.46Å; E485-K488 PolarHBondContact O-N 3.31Å; E485-K488 IonicContact OE1-NZ 3.55Å; E485-K488 PolarHBondContact OE1-NZ 2.95Å; E485-K488 VanDerWaalsContact OE2-CD 3.3Å; E485-K488 WeakPolarHBondContact OE2-CD 3.32Å; E485-K488 IonicContact OE2-NZ 3.61Å; R486-K488 VanDerWaalsContact C-N 3.27Å; R486-K488 PolarHBondContact O-N 2.88Å; K488-L491 PolarHBondContact O-N 3.19Å; K488-N492 VanDerWaalsContact O-CB 3.29Å; K488-N492 WeakPolarHBondContact O-CB 3.42Å; K488-N492 PolarHBondContact O-N 2.88Å
489T93.7Very high94.1Very high90 Ų9092.2 Ų92.255%0.55247%0.466SS*.Hα-helixtrans-65.9-39.2177.554.30000112.2E485 R486 N492 Q493E485-T489 WeakPolarHBondContact O-CG2 3.49Å; E485-T489 PolarHBondContact O-N 2.88Å; E485-T489 PolarHBondContact O-OG1 3.17Å; R486-T489 WeakPolarHBondContact CA-OG1 3.49Å; R486-T489 PolarHBondContact O-N 2.89Å; R486-T489 PolarHBondContact O-OG1 3.06Å; T489-N492 PolarHBondContact O-N 3.5Å; T489-Q493 WeakPolarHBondContact O-CB 3.43Å; T489-Q493 PolarHBondContact O-N 3.45Å
490E94.6Very high94Very high100 Ų10092.3 Ų92.347%0.46747%0.467SS..Hα-helixtrans-64.2-45.8174.1-70.5166-158.700111.4R486 N492 Q493 Q494R486-E490 WeakPolarHBondContact O-CG 3.34Å; R486-E490 PolarHBondContact O-N 2.87Å; E490-N492 PolarHBondContact O-N 3.44Å; E490-Q493 PolarHBondContact O-N 2.89Å; E490-Q494 WeakPolarHBondContact O-CG 3.38Å; E490-Q494 PolarHBondContact O-N 3.44Å
491L94.6Very high93.8Very high108 Ų10891.2 Ų91.257%0.56547%0.47SS*.Hα-helixtrans-63.4-40.5175.8179.462.9000112.3L487 K488 Q494 T495L487-L491 WeakPolarHBondContact O-CB 3.47Å; L487-L491 PolarHBondContact O-N 3.01Å; K488-L491 PolarHBondContact O-N 3.19Å; L491-Q494 PolarHBondContact O-N 3.25Å; L491-T495 WeakPolarHBondContact O-CB 3.29Å; L491-T495 PolarHBondContact O-N 3.33Å; L491-T495 PolarHBondContact O-OG1 2.93Å
492N94.2Very high93.7Very high97 Ų9793.4 Ų93.452%0.51947%0.473SS..Hα-helixtrans-66.4-40.7176.4-173.377.3000111.6K488 T489 E490 T495 I496K488-N492 VanDerWaalsContact O-CB 3.29Å; K488-N492 WeakPolarHBondContact O-CB 3.42Å; K488-N492 PolarHBondContact O-N 2.88Å; T489-N492 PolarHBondContact O-N 3.5Å; E490-N492 PolarHBondContact O-N 3.44Å; N492-T495 WeakPolarHBondContact O-CB 3.2Å; N492-T495 PolarHBondContact O-N 2.72Å; N492-I496 WeakPolarHBondContact O-CG1 3.38Å; N492-I496 PolarHBondContact O-N 3.3Å
493Q93.9Very high93.6Very high95 Ų9595.8 Ų95.844%0.44448%0.479SS..Hα-helixtrans-61.7-47.7173.4-179.859.929.800111.3T489 E490 T495 I496 E497T489-Q493 WeakPolarHBondContact O-CB 3.43Å; T489-Q493 PolarHBondContact O-N 3.45Å; E490-Q493 PolarHBondContact O-N 2.89Å; Q493-T495 VanDerWaalsContact C-N 3.26Å; Q493-T495 PolarHBondContact O-N 2.9Å; Q493-I496 PolarHBondContact O-N 2.76Å; Q493-E497 WeakPolarHBondContact CG-OE1 3.49Å; Q493-E497 PolarHBondContact NE2-OE1 3.4Å; Q493-E497 WeakPolarHBondContact O-CG 3.42Å; Q493-E497 PolarHBondContact O-N 2.9Å
494Q93.3Very high93.4Very high123 Ų12393.8 Ų93.858%0.57548%0.479SS*.Hα-helixtrans-61.5-32.6174.5-73.3178.12.800112.8E490 L491 E497 L498E490-Q494 WeakPolarHBondContact O-CG 3.38Å; E490-Q494 PolarHBondContact O-N 3.44Å; L491-Q494 PolarHBondContact O-N 3.25Å; Q494-E497 PolarHBondContact O-N 2.64Å; Q494-L498 VanDerWaalsContact O-CB 3.22Å; Q494-L498 WeakPolarHBondContact O-CB 3.36Å; Q494-L498 PolarHBondContact O-N 3.41Å
495T93.8Very high93.3Very high61 Ų6192.5 Ų92.537%0.37448%0.478SS..Hα-helixtrans-67.6-43.6175.4-57.30000111L491 N492 Q493 L498 D499L491-T495 WeakPolarHBondContact O-CB 3.29Å; L491-T495 PolarHBondContact O-N 3.33Å; L491-T495 PolarHBondContact O-OG1 2.93Å; N492-T495 WeakPolarHBondContact O-CB 3.2Å; N492-T495 PolarHBondContact O-N 2.72Å; Q493-T495 VanDerWaalsContact C-N 3.26Å; Q493-T495 PolarHBondContact O-N 2.9Å; T495-L498 PolarHBondContact O-N 3.22Å; T495-D499 WeakPolarHBondContact O-CB 3.34Å; T495-D499 PolarHBondContact O-N 2.96Å
496I93.6Very high93.1Very high78 Ų7892.2 Ų92.240%0.448%0.479SS..Hα-helixtrans-63.3-43174.6-67.7163.5000110.9N492 Q493 D499 N500N492-I496 WeakPolarHBondContact O-CG1 3.38Å; N492-I496 PolarHBondContact O-N 3.3Å; Q493-I496 PolarHBondContact O-N 2.76Å; I496-D499 PolarHBondContact O-N 2.91Å; I496-N500 WeakPolarHBondContact O-CB 3.22Å; I496-N500 VanDerWaalsContact O-CG 3.25Å; I496-N500 PolarHBondContact O-N 2.9Å; I496-N500 PolarHBondContact O-ND2 3.5Å
497E93.1Very high93Very high97 Ų9791.6 Ų91.645%0.45348%0.482SS..Hα-helixtrans-64.1-39.9176.1-73.1168.9-169.800112.4Q493 Q494 S501Q493-E497 WeakPolarHBondContact CG-OE1 3.49Å; Q493-E497 PolarHBondContact NE2-OE1 3.4Å; Q493-E497 WeakPolarHBondContact O-CG 3.42Å; Q493-E497 PolarHBondContact O-N 2.9Å; Q494-E497 PolarHBondContact O-N 2.64Å; E497-S501 WeakPolarHBondContact O-CB 3.38Å; E497-S501 PolarHBondContact O-N 2.92Å; E497-S501 PolarHBondContact O-OG 2.94Å
498L93.2Very high92.8Very high93 Ų9393 Ų9349%0.48749%0.489SS..Hα-helixtrans-65.9-43.7175176.961.7000111.8Q494 T495 S501 K502Q494-L498 VanDerWaalsContact O-CB 3.22Å; Q494-L498 WeakPolarHBondContact O-CB 3.36Å; Q494-L498 PolarHBondContact O-N 3.41Å; T495-L498 PolarHBondContact O-N 3.22Å; L498-S501 WeakPolarHBondContact O-CB 3.45Å; L498-S501 PolarHBondContact O-N 3.33Å; L498-K502 WeakPolarHBondContact O-CG 3.36Å; L498-K502 PolarHBondContact O-N 2.96Å
499D92.9Very high92.6Very high69 Ų6992.1 Ų92.137%0.36949%0.489SS..Hα-helixtrans-71.6-37.2179.8-74.7-14.3000112.1T495 I496 S501 K502 M503T495-D499 WeakPolarHBondContact O-CB 3.34Å; T495-D499 PolarHBondContact O-N 2.96Å; I496-D499 PolarHBondContact O-N 2.91Å; D499-S501 VanDerWaalsContact C-N 3.28Å; D499-S501 PolarHBondContact O-N 2.71Å; D499-K502 PolarHBondContact O-N 3.27Å; D499-K502 WeakPolarHBondContact OD1-CD 3.49Å; D499-K502 IonicContact OD1-NZ 3.9Å; D499-K502 PolarHBondContact OD1-NZ 3.42Å; D499-M503 WeakPolarHBondContact O-CG 3.4Å; D499-M503 PolarHBondContact O-N 2.89Å
500N92.8Very high92.5Very high97 Ų9793.4 Ų93.452%0.51949%0.492SS..Hα-helixtrans-58.7-40.7167.3-75.8-37.5000111.6I496 M503 A504I496-N500 WeakPolarHBondContact O-CB 3.22Å; I496-N500 VanDerWaalsContact O-CG 3.25Å; I496-N500 PolarHBondContact O-N 2.9Å; I496-N500 PolarHBondContact O-ND2 3.5Å; N500-M503 PolarHBondContact O-N 3.35Å; N500-A504 WeakPolarHBondContact O-CB 3.34Å; N500-A504 PolarHBondContact O-N 2.88Å
501S89.5Confident92.2Very high76 Ų7691.9 Ų91.953%0.53149%0.492SS..Hα-helixtrans-67.9-36.9177.4-590000112.5E497 L498 D499 S505E497-S501 WeakPolarHBondContact O-CB 3.38Å; E497-S501 PolarHBondContact O-N 2.92Å; E497-S501 PolarHBondContact O-OG 2.94Å; L498-S501 WeakPolarHBondContact O-CB 3.45Å; L498-S501 PolarHBondContact O-N 3.33Å; D499-S501 VanDerWaalsContact C-N 3.28Å; D499-S501 PolarHBondContact O-N 2.71Å; S501-S505 WeakPolarHBondContact O-CB 3.29Å; S501-S505 PolarHBondContact O-N 3.47Å
502K93.3Very high92.1Very high100 Ų10092.7 Ų92.744%0.43549%0.491SS..Hα-helixtrans-63.2-50.1170.5-69.8170.4-166.8153.10110.9L498 D499 A504 S505 D506L498-K502 WeakPolarHBondContact O-CG 3.36Å; L498-K502 PolarHBondContact O-N 2.96Å; D499-K502 PolarHBondContact O-N 3.27Å; D499-K502 WeakPolarHBondContact OD1-CD 3.49Å; D499-K502 IonicContact OD1-NZ 3.9Å; D499-K502 PolarHBondContact OD1-NZ 3.42Å; K502-A504 VanDerWaalsContact C-N 3.27Å; K502-A504 PolarHBondContact O-N 2.98Å; K502-S505 CarbonylContact O-C 3.58Å; K502-S505 WeakPolarHBondContact O-CA 3.41Å; K502-S505 WeakPolarHBondContact O-CB 3.33Å; K502-S505 PolarHBondContact O-N 2.79Å; K502-D506 PolarHBondContact O-N 2.92Å
503M91.1Very high92Very high111 Ų11192.7 Ų92.755%0.54749%0.49SS..Hα-helixtrans-57.9-40178.3-72.2-178.86900112.1D499 N500 D506 Q507D499-M503 WeakPolarHBondContact O-CG 3.4Å; D499-M503 PolarHBondContact O-N 2.89Å; N500-M503 PolarHBondContact O-N 3.35Å; M503-D506 PolarHBondContact O-N 2.96Å; M503-Q507 WeakPolarHBondContact O-CB 3.42Å; M503-Q507 VanDerWaalsContact O-CG 3.29Å; M503-Q507 WeakPolarHBondContact O-CG 3.42Å; M503-Q507 PolarHBondContact O-N 2.87Å
504A91.1Very high91.9Very high56 Ų5694.1 Ų94.146%0.46350%0.497SS..Hα-helixtrans-65.9-37.9173.300000112.5N500 K502 L508N500-A504 WeakPolarHBondContact O-CB 3.34Å; N500-A504 PolarHBondContact O-N 2.88Å; K502-A504 VanDerWaalsContact C-N 3.27Å; K502-A504 PolarHBondContact O-N 2.98Å; A504-L508 WeakPolarHBondContact O-CB 3.44Å; A504-L508 PolarHBondContact O-N 3.29Å
505S90.8Very high91.7Very high59 Ų5992.8 Ų92.841%0.41350%0.497SS..Hα-helixtrans-67.5-40.4174.3-173.10000112.6S501 K502 L508 I509S501-S505 WeakPolarHBondContact O-CB 3.29Å; S501-S505 PolarHBondContact O-N 3.47Å; K502-S505 CarbonylContact O-C 3.58Å; K502-S505 WeakPolarHBondContact O-CA 3.41Å; K502-S505 WeakPolarHBondContact O-CB 3.33Å; K502-S505 PolarHBondContact O-N 2.79Å; S505-L508 WeakPolarHBondContact O-CB 3.41Å; S505-L508 PolarHBondContact O-N 3.31Å; S505-I509 VanDerWaalsContact O-CG1 3.31Å; S505-I509 WeakPolarHBondContact O-CG1 3.45Å; S505-I509 PolarHBondContact O-N 3.26Å
506D91.7Very high91.5Very high94 Ų9493.6 Ų93.650%0.50350%0.496SS..Hα-helixtrans-68.3-40.8177.8-67.3-28.3000110.9K502 M503 L508 I509 L510K502-D506 PolarHBondContact O-N 2.92Å; M503-D506 PolarHBondContact O-N 2.96Å; D506-L508 VanDerWaalsContact C-N 3.35Å; D506-I509 PolarHBondContact O-N 2.92Å; D506-L510 WeakPolarHBondContact O-CG 3.45Å; D506-L510 PolarHBondContact O-N 3.46Å
507Q90.9Very high91.4Very high119 Ų11993.7 Ų93.756%0.55650%0.495SS*.Hα-helixtrans-60.7-42.4169.3-74.4177.411.900111.7M503 I509 L510 C511M503-Q507 WeakPolarHBondContact O-CB 3.42Å; M503-Q507 VanDerWaalsContact O-CG 3.29Å; M503-Q507 WeakPolarHBondContact O-CG 3.42Å; M503-Q507 PolarHBondContact O-N 2.87Å; Q507-I509 VanDerWaalsContact C-N 3.32Å; Q507-I509 PolarHBondContact O-N 3.29Å; Q507-L510 PolarHBondContact O-N 2.92Å; Q507-C511 WeakPolarHBondContact O-CB 3.27Å; Q507-C511 PolarHBondContact O-N 3.14Å; Q507-C511 PolarHBondContact O-SG 3.43Å
508L90.6Very high91.2Very high121 Ų12193.2 Ų93.263%0.63450%0.495SS*.Hα-helixtrans-63.2-36.8176.4-176.264.7000112.1A504 S505 D506 K512A504-L508 WeakPolarHBondContact O-CB 3.44Å; A504-L508 PolarHBondContact O-N 3.29Å; S505-L508 WeakPolarHBondContact O-CB 3.41Å; S505-L508 PolarHBondContact O-N 3.31Å; D506-L508 VanDerWaalsContact C-N 3.35Å; L508-K512 VanDerWaalsContact O-CB 3.27Å; L508-K512 WeakPolarHBondContact O-CB 3.29Å; L508-K512 PolarHBondContact O-N 3.28Å
509I91.6Very high91.1Very high90 Ų9091.8 Ų91.846%0.46249%0.488SS..Hα-helixtrans-65.5-44.8173.8-70.6163.2000110.8S505 D506 Q507 K512 L513S505-I509 VanDerWaalsContact O-CG1 3.31Å; S505-I509 WeakPolarHBondContact O-CG1 3.45Å; S505-I509 PolarHBondContact O-N 3.26Å; D506-I509 PolarHBondContact O-N 2.92Å; Q507-I509 VanDerWaalsContact C-N 3.32Å; Q507-I509 PolarHBondContact O-N 3.29Å; I509-K512 PolarHBondContact O-N 2.91Å; I509-L513 HydrophobicContact CG2-CD1 4.29Å; I509-L513 WeakPolarHBondContact O-CG 3.41Å; I509-L513 PolarHBondContact O-N 3.43Å
510L91.1Very high91Very high117 Ų11793.5 Ų93.561%0.61349%0.492SS*.Hα-helixtrans-61.9-49.2176.1-70.8171000111.8D506 Q507 K512 L513 E514D506-L510 WeakPolarHBondContact O-CG 3.45Å; D506-L510 PolarHBondContact O-N 3.46Å; Q507-L510 PolarHBondContact O-N 2.92Å; L510-K512 VanDerWaalsContact C-N 3.25Å; L510-K512 PolarHBondContact O-N 3.25Å; L510-L513 PolarHBondContact O-N 2.87Å; L510-L513 VanDerWaalsContact O-N 3.14Å; L510-E514 PolarHBondContact O-N 2.95Å
511C89Confident90.9Very high69 Ų6993.1 Ų93.147%0.46649%0.487SS..Hα-helixtrans-59.3-35.6174.9-68.20000112.2Q507 E514 V515Q507-C511 WeakPolarHBondContact O-CB 3.27Å; Q507-C511 PolarHBondContact O-N 3.14Å; Q507-C511 PolarHBondContact O-SG 3.43Å; C511-E514 PolarHBondContact O-N 3.25Å; C511-V515 WeakPolarHBondContact O-CB 3.31Å; C511-V515 VanDerWaalsContact O-CG2 3.29Å; C511-V515 WeakPolarHBondContact O-CG2 3.47Å; C511-V515 PolarHBondContact O-N 2.97Å
512K92.8Very high90.9Very high125 Ų12594.3 Ų94.354%0.54349%0.487SS..Hα-helixtrans-67.3-41.1175.3-176.4174.1-179.8-73.70112.1L508 I509 L510 E514 V515 E516L508-K512 VanDerWaalsContact O-CB 3.27Å; L508-K512 WeakPolarHBondContact O-CB 3.29Å; L508-K512 PolarHBondContact O-N 3.28Å; I509-K512 PolarHBondContact O-N 2.91Å; L510-K512 VanDerWaalsContact C-N 3.25Å; L510-K512 PolarHBondContact O-N 3.25Å; K512-E514 VanDerWaalsContact C-N 3.35Å; K512-V515 PolarHBondContact O-N 2.85Å; K512-E516 IonicContact NZ-OE1 2.62Å; K512-E516 PolarHBondContact NZ-OE1 2.89Å; K512-E516 WeakPolarHBondContact O-CB 3.39Å; K512-E516 WeakPolarHBondContact O-CG 3.49Å; K512-E516 PolarHBondContact O-N 2.98Å
513L92.5Very high90.7Very high96 Ų9695.1 Ų95.150%0.50349%0.491SS..Hα-helixtrans-65.1-38.9174.9-70.3169.2000111.7I509 L510 E516 E517I509-L513 HydrophobicContact CG2-CD1 4.29Å; I509-L513 WeakPolarHBondContact O-CG 3.41Å; I509-L513 PolarHBondContact O-N 3.43Å; L510-L513 PolarHBondContact O-N 2.87Å; L510-L513 VanDerWaalsContact O-N 3.14Å; L513-E516 PolarHBondContact O-N 3.4Å; L513-E517 WeakPolarHBondContact O-CB 3.42Å; L513-E517 PolarHBondContact O-N 2.87Å
514E91Very high90.7Very high126 Ų12694.8 Ų94.859%0.58950%0.495SS*.Hα-helixtrans-64.8-43.4174-172.7170.2-153.200111.7L510 C511 K512 E517 L518L510-E514 PolarHBondContact O-N 2.95Å; C511-E514 PolarHBondContact O-N 3.25Å; K512-E514 VanDerWaalsContact C-N 3.35Å; E514-E517 PolarHBondContact O-N 3.39Å; E514-L518 HydrophobicContact CG-CD1 4.18Å; E514-L518 WeakPolarHBondContact O-CB 3.4Å; E514-L518 VanDerWaalsContact O-CG 3.3Å; E514-L518 WeakPolarHBondContact O-CG 3.44Å; E514-L518 PolarHBondContact O-N 2.67Å
515V89.3Confident90.5Very high95 Ų95100 Ų10058%0.57650%0.502SS*.Hα-helixtrans-63.5-39.5173.6167.60000112.2C511 K512 E517 L518 D519C511-V515 WeakPolarHBondContact O-CB 3.31Å; C511-V515 VanDerWaalsContact O-CG2 3.29Å; C511-V515 WeakPolarHBondContact O-CG2 3.47Å; C511-V515 PolarHBondContact O-N 2.97Å; K512-V515 PolarHBondContact O-N 2.85Å; V515-E517 VanDerWaalsContact C-N 3.34Å; V515-L518 PolarHBondContact O-N 2.81Å; V515-D519 WeakPolarHBondContact O-CB 3.3Å; V515-D519 PolarHBondContact O-N 3.27Å
516E90.7Very high90.4Very high77 Ų77104.2 Ų104.236%0.3651%0.509SS..Hα-helixtrans-66-35175-78176.4-165.600112.5K512 L513 K520K512-E516 IonicContact NZ-OE1 2.62Å; K512-E516 PolarHBondContact NZ-OE1 2.89Å; K512-E516 WeakPolarHBondContact O-CB 3.39Å; K512-E516 WeakPolarHBondContact O-CG 3.49Å; K512-E516 PolarHBondContact O-N 2.98Å; L513-E516 PolarHBondContact O-N 3.4Å; E516-K520 VanDerWaalsContact O-CE 3.29Å; E516-K520 WeakPolarHBondContact O-CE 3.27Å; E516-K520 WeakPolarHBondContact O-CG 3.32Å; E516-K520 PolarHBondContact O-N 3.23Å; E516-K520 VanDerWaalsContact O-N 3.12Å
517E90.6Very high90.3Very high80 Ų80105.5 Ų105.537%0.37451%0.51SS..Hα-helixtrans-73.7-39.9174.5-170.954.3-139.600111.9L513 E514 V515 D519 K520 Q521L513-E517 WeakPolarHBondContact O-CB 3.42Å; L513-E517 PolarHBondContact O-N 2.87Å; E514-E517 PolarHBondContact O-N 3.39Å; V515-E517 VanDerWaalsContact C-N 3.34Å; E517-D519 VanDerWaalsContact C-N 3.32Å; E517-D519 PolarHBondContact O-N 2.98Å; E517-K520 WeakPolarHBondContact O-CB 3.45Å; E517-K520 PolarHBondContact O-N 2.87Å; E517-K520 WeakPolarHBondContact OE2-CD 3.45Å; E517-K520 WeakPolarHBondContact OE2-CE 3.32Å; E517-K520 IonicContact OE2-NZ 2.81Å; E517-K520 PolarHBondContact OE2-NZ 2.79Å; E517-Q521 WeakPolarHBondContact O-CG 3.25Å; E517-Q521 PolarHBondContact O-N 3.39Å
518L89.1Confident90.2Very high87 Ų87106 Ų10646%0.45551%0.507SS..Hα-helixtrans-63.7-35.3172.3-72.1169.6000112.1E514 V515 Q521 L522E514-L518 HydrophobicContact CG-CD1 4.18Å; E514-L518 WeakPolarHBondContact O-CB 3.4Å; E514-L518 VanDerWaalsContact O-CG 3.3Å; E514-L518 WeakPolarHBondContact O-CG 3.44Å; E514-L518 PolarHBondContact O-N 2.67Å; V515-L518 PolarHBondContact O-N 2.81Å; L518-Q521 PolarHBondContact O-N 2.92Å; L518-L522 WeakPolarHBondContact O-CB 3.38Å; L518-L522 VanDerWaalsContact O-CG 3.27Å; L518-L522 WeakPolarHBondContact O-CG 3.48Å; L518-L522 PolarHBondContact O-N 3.12Å
519D90.7Very high89.9Confident64 Ų64102.9 Ų102.934%0.34250%0.495SS..Hα-helixtrans-67.7-39.5172.417070.2000112.4V515 E517 L522 K523V515-D519 WeakPolarHBondContact O-CB 3.3Å; V515-D519 PolarHBondContact O-N 3.27Å; E517-D519 VanDerWaalsContact C-N 3.32Å; E517-D519 PolarHBondContact O-N 2.98Å; D519-L522 PolarHBondContact O-N 3.45Å; D519-K523 WeakPolarHBondContact O-CB 3.44Å; D519-K523 VanDerWaalsContact O-CG 3.32Å; D519-K523 WeakPolarHBondContact O-CG 3.29Å; D519-K523 PolarHBondContact O-N 2.6Å; D519-K523 VanDerWaalsContact OD1-CE 3.24Å; D519-K523 WeakPolarHBondContact OD1-CE 3.5Å; D519-K523 IonicContact OD1-NZ 3.73Å; D519-K523 PolarHBondContact OD1-NZ 3.21Å; D519-K523 VanDerWaalsContact OD2-CE 3.25Å; D519-K523 WeakPolarHBondContact OD2-CE 3.42Å; D519-K523 IonicContact OD2-NZ 2.89Å; D519-K523 PolarHBondContact OD2-NZ 3.4Å
520K90.6Very high89.6Confident105 Ų105103.2 Ų103.246%0.45749%0.494SS..Hα-helixtrans-58.9-47.3169.8-73.6171.5-123.1158.80111.2E516 E517 K523 V524E516-K520 VanDerWaalsContact O-CE 3.29Å; E516-K520 WeakPolarHBondContact O-CE 3.27Å; E516-K520 WeakPolarHBondContact O-CG 3.32Å; E516-K520 PolarHBondContact O-N 3.23Å; E516-K520 VanDerWaalsContact O-N 3.12Å; E517-K520 WeakPolarHBondContact O-CB 3.45Å; E517-K520 PolarHBondContact O-N 2.87Å; E517-K520 WeakPolarHBondContact OE2-CD 3.45Å; E517-K520 WeakPolarHBondContact OE2-CE 3.32Å; E517-K520 IonicContact OE2-NZ 2.81Å; E517-K520 PolarHBondContact OE2-NZ 2.79Å; K520-K523 PolarHBondContact O-N 2.8Å; K520-V524 WeakPolarHBondContact O-CG2 3.24Å; K520-V524 PolarHBondContact O-N 3.37Å
521Q90.5Very high89.4Confident88 Ų88101.3 Ų101.341%0.41148%0.482SS..Hα-helixtrans-63.3-43.1177.4-69.4177.835.500111.6E517 L518 K523 V524 W525E517-Q521 WeakPolarHBondContact O-CG 3.25Å; E517-Q521 PolarHBondContact O-N 3.39Å; L518-Q521 PolarHBondContact O-N 2.92Å; Q521-K523 VanDerWaalsContact C-N 3.31Å; Q521-K523 PolarHBondContact O-N 2.96Å; Q521-V524 PolarHBondContact O-N 3.25Å; Q521-W525 WeakPolarHBondContact O-CB 3.45Å; Q521-W525 PolarHBondContact O-N 3.42Å
522L89.5Confident89.1Confident102 Ų102103 Ų10353%0.53448%0.484SS..Hα-helixtrans-62.3-34.8174.5-78.8168.4000112.5L518 D519 R526L518-L522 WeakPolarHBondContact O-CB 3.38Å; L518-L522 VanDerWaalsContact O-CG 3.27Å; L518-L522 WeakPolarHBondContact O-CG 3.48Å; L518-L522 PolarHBondContact O-N 3.12Å; D519-L522 PolarHBondContact O-N 3.45Å; L522-R526 WeakPolarHBondContact O-CB 3.12Å; L522-R526 PolarHBondContact O-N 2.62Å
523K90.6Very high88.6Confident117 Ų117103.2 Ų103.251%0.50949%0.487SS..Hα-helixtrans-69-40.6173.2-76164178.41660112.1D519 K520 Q521 K527D519-K523 WeakPolarHBondContact O-CB 3.44Å; D519-K523 VanDerWaalsContact O-CG 3.32Å; D519-K523 WeakPolarHBondContact O-CG 3.29Å; D519-K523 PolarHBondContact O-N 2.6Å; D519-K523 VanDerWaalsContact OD1-CE 3.24Å; D519-K523 WeakPolarHBondContact OD1-CE 3.5Å; D519-K523 IonicContact OD1-NZ 3.73Å; D519-K523 PolarHBondContact OD1-NZ 3.21Å; D519-K523 VanDerWaalsContact OD2-CE 3.25Å; D519-K523 WeakPolarHBondContact OD2-CE 3.42Å; D519-K523 IonicContact OD2-NZ 2.89Å; D519-K523 PolarHBondContact OD2-NZ 3.4Å; K520-K523 PolarHBondContact O-N 2.8Å; Q521-K523 VanDerWaalsContact C-N 3.31Å; Q521-K523 PolarHBondContact O-N 2.96Å; K523-K527 WeakPolarHBondContact O-CB 3.31Å; K523-K527 PolarHBondContact O-N 3.18Å
524V90.7Very high88.1Confident103 Ų103102.4 Ų102.462%0.62449%0.488SS*.Hα-helixtrans-64.6-48.3173.8171.90000110.8K520 Q521 K527 R528K520-V524 WeakPolarHBondContact O-CG2 3.24Å; K520-V524 PolarHBondContact O-N 3.37Å; Q521-V524 PolarHBondContact O-N 3.25Å; V524-K527 PolarHBondContact O-N 3.26Å; V524-R528 VanDerWaalsContact O-CB 3.31Å; V524-R528 WeakPolarHBondContact O-CB 3.33Å; V524-R528 PolarHBondContact O-N 2.83Å
525W85.5Confident87.7Confident166 Ų16699.1 Ų99.163%0.62948%0.479SS*.Hα-helixtrans-64.3-40.7176.9-76.9117.1000112.4Q521 R528 C529Q521-W525 WeakPolarHBondContact O-CB 3.45Å; Q521-W525 PolarHBondContact O-N 3.42Å; W525-R528 CarbonylContact O-C 3.55Å; W525-R528 WeakPolarHBondContact O-CB 3.4Å; W525-R528 PolarHBondContact O-N 3.31Å; W525-C529 PolarHBondContact O-N 2.89Å; W525-C529 PolarHBondContact O-SG 2.98Å
526R90.2Very high87.3Confident147 Ų14799.6 Ų99.656%0.55548%0.478SS*.Hα-helixtrans-63.1-48.8174.8-173.2-178.2-59.3151.78.4111.2L522 R528 C529 E530L522-R526 WeakPolarHBondContact O-CB 3.12Å; L522-R526 PolarHBondContact O-N 2.62Å; R526-R528 PolarHBondContact O-N 3.41Å; R526-C529 CarbonylContact O-C 3.57Å; R526-C529 PolarHBondContact O-N 3.47Å; R526-C529 VanDerWaalsContact O-N 3.11Å; R526-E530 WeakPolarHBondContact CD-OE1 3.42Å; R526-E530 HydrophobicContact CG-CG 4.34Å; R526-E530 VanDerWaalsContact CG-OE1 3.32Å; R526-E530 WeakPolarHBondContact CG-OE1 3.38Å; R526-E530 WeakPolarHBondContact O-CB 3.25Å; R526-E530 WeakPolarHBondContact O-CG 3.43Å; R526-E530 PolarHBondContact O-N 3.09Å
527K89Confident86.7Confident121 Ų12199.6 Ų99.653%0.52649%0.486SS..Hα-helixtrans-59.6-33174.4-174.7171.6-175.5-71.80111.7K523 V524 E531K523-K527 WeakPolarHBondContact O-CB 3.31Å; K523-K527 PolarHBondContact O-N 3.18Å; V524-K527 PolarHBondContact O-N 3.26Å; K527-E531 IonicContact NZ-OE1 3.52Å; K527-E531 PolarHBondContact NZ-OE1 2.82Å; K527-E531 WeakPolarHBondContact O-CB 3.47Å; K527-E531 VanDerWaalsContact O-CG 3.23Å; K527-E531 WeakPolarHBondContact O-CG 3.44Å; K527-E531 PolarHBondContact O-N 2.86Å
528R88.7Confident86.2Confident130 Ų130101.9 Ų101.949%0.49150%0.497SS..Hα-helixtrans-70.4-39.5175.5-16756162.6-176.5-1.7112.6V524 W525 R526 E531 Q532V524-R528 VanDerWaalsContact O-CB 3.31Å; V524-R528 WeakPolarHBondContact O-CB 3.33Å; V524-R528 PolarHBondContact O-N 2.83Å; W525-R528 CarbonylContact O-C 3.55Å; W525-R528 WeakPolarHBondContact O-CB 3.4Å; W525-R528 PolarHBondContact O-N 3.31Å; R526-R528 PolarHBondContact O-N 3.41Å; R528-E531 WeakPolarHBondContact CD-OE2 3.49Å; R528-E531 IonicContact CZ-OE2 3.19Å; R528-E531 IonicContact NH1-OE2 2.71Å; R528-E531 PolarHBondContact NH1-OE2 2.77Å; R528-Q532 WeakPolarHBondContact O-CB 3.14Å; R528-Q532 VanDerWaalsContact O-CG 3.25Å; R528-Q532 WeakPolarHBondContact O-CG 3.19Å; R528-Q532 PolarHBondContact O-N 2.92Å
529C83.7Confident85.5Confident56 Ų56102.8 Ų102.838%0.37850%0.5SS..Hα-helixtrans-66.2-44.3170.8-66.30000110.9W525 R526 E531 Q532 E533W525-C529 PolarHBondContact O-N 2.89Å; W525-C529 PolarHBondContact O-SG 2.98Å; R526-C529 CarbonylContact O-C 3.57Å; R526-C529 PolarHBondContact O-N 3.47Å; R526-C529 VanDerWaalsContact O-N 3.11Å; C529-E531 PolarHBondContact O-N 2.69Å; C529-Q532 CarbonylContact O-C 3.6Å; C529-Q532 WeakPolarHBondContact O-CA 3.32Å; C529-Q532 PolarHBondContact O-N 3.46Å; C529-Q532 VanDerWaalsContact O-N 3.09Å; C529-E533 WeakPolarHBondContact O-CB 3.34Å; C529-E533 WeakPolarHBondContact O-CG 3.34Å; C529-E533 PolarHBondContact O-N 3.11Å
530E86.9Confident84.6Confident96 Ų96102.4 Ų102.445%0.44951%0.506SS..Hα-helixtrans-61.5-41.1175.2-70.8165.1-17900111.6R526 Q532 E533 C534R526-E530 WeakPolarHBondContact CD-OE1 3.42Å; R526-E530 HydrophobicContact CG-CG 4.34Å; R526-E530 VanDerWaalsContact CG-OE1 3.32Å; R526-E530 WeakPolarHBondContact CG-OE1 3.38Å; R526-E530 WeakPolarHBondContact O-CB 3.25Å; R526-E530 WeakPolarHBondContact O-CG 3.43Å; R526-E530 PolarHBondContact O-N 3.09Å; E530-Q532 VanDerWaalsContact C-N 3.34Å; E530-E533 PolarHBondContact O-N 3.34Å; E530-C534 VanDerWaalsContact O-CB 3.22Å; E530-C534 WeakPolarHBondContact O-CB 3.32Å; E530-C534 PolarHBondContact O-N 2.74Å; E530-C534 PolarHBondContact O-SG 2.89Å; E530-C534 VanDerWaalsContact O-SG 3.41Å
531E86.3Confident83.9Confident77 Ų77100.1 Ų100.136%0.3651%0.507SS..Hα-helixtrans-60.5-42170.6-80.6168.3-167.700111.9K527 R528 C529 S535K527-E531 IonicContact NZ-OE1 3.52Å; K527-E531 PolarHBondContact NZ-OE1 2.82Å; K527-E531 WeakPolarHBondContact O-CB 3.47Å; K527-E531 VanDerWaalsContact O-CG 3.23Å; K527-E531 WeakPolarHBondContact O-CG 3.44Å; K527-E531 PolarHBondContact O-N 2.86Å; R528-E531 WeakPolarHBondContact CD-OE2 3.49Å; R528-E531 IonicContact CZ-OE2 3.19Å; R528-E531 IonicContact NH1-OE2 2.71Å; R528-E531 PolarHBondContact NH1-OE2 2.77Å; C529-E531 PolarHBondContact O-N 2.69Å; E531-S535 WeakPolarHBondContact O-CB 3.15Å; E531-S535 PolarHBondContact O-N 2.62Å
532Q82.2Confident83.2Confident106 Ų106100.2 Ų100.250%0.49551%0.513SS..Hα-helixtrans-73.6-35.2178.6-75.5174.7-27.100112.5R528 C529 E530 S535 L536R528-Q532 WeakPolarHBondContact O-CB 3.14Å; R528-Q532 VanDerWaalsContact O-CG 3.25Å; R528-Q532 WeakPolarHBondContact O-CG 3.19Å; R528-Q532 PolarHBondContact O-N 2.92Å; C529-Q532 CarbonylContact O-C 3.6Å; C529-Q532 WeakPolarHBondContact O-CA 3.32Å; C529-Q532 PolarHBondContact O-N 3.46Å; C529-Q532 VanDerWaalsContact O-N 3.09Å; E530-Q532 VanDerWaalsContact C-N 3.34Å; Q532-S535 PolarHBondContact O-N 3.2Å; Q532-L536 WeakPolarHBondContact O-CB 3.27Å; Q532-L536 WeakPolarHBondContact O-CD1 3.15Å; Q532-L536 WeakPolarHBondContact O-CG 3.5Å; Q532-L536 PolarHBondContact O-N 3.5Å
533E82.3Confident82.5Confident129 Ų129100 Ų10060%0.60352%0.516SS*.Hα-helixtrans-72.3-42.4175.5-76.7176.2-175.900110.7C529 E530 L536 S537C529-E533 WeakPolarHBondContact O-CB 3.34Å; C529-E533 WeakPolarHBondContact O-CG 3.34Å; C529-E533 PolarHBondContact O-N 3.11Å; E530-E533 PolarHBondContact O-N 3.34Å; E533-L536 PolarHBondContact O-N 3.43Å; E533-S537 WeakPolarHBondContact O-CA 3.23Å; E533-S537 WeakPolarHBondContact O-CB 3.32Å; E533-S537 PolarHBondContact O-N 2.81Å
534C81.8Confident81.7Confident79 Ų7998.6 Ų98.653%0.53451%0.514SS..Hα-helixtrans-61.4-45.7169.2-78.20000110.9E530 L536 S537 E538E530-C534 VanDerWaalsContact O-CB 3.22Å; E530-C534 WeakPolarHBondContact O-CB 3.32Å; E530-C534 PolarHBondContact O-N 2.74Å; E530-C534 PolarHBondContact O-SG 2.89Å; E530-C534 VanDerWaalsContact O-SG 3.41Å; C534-L536 PolarHBondContact O-N 2.75Å; C534-S537 CarbonylContact O-C 3.5Å; C534-S537 PolarHBondContact O-N 3.49Å; C534-E538 WeakPolarHBondContact O-CB 3.08Å; C534-E538 WeakPolarHBondContact O-CG 3.5Å; C534-E538 PolarHBondContact O-N 2.81Å
535S82.2Confident80.6Confident57 Ų5796.3 Ų96.340%0.39950%0.502SS..Hα-helixtrans-70.1-32178.5-167.50000112.9E531 Q532 M539E531-S535 WeakPolarHBondContact O-CB 3.15Å; E531-S535 PolarHBondContact O-N 2.62Å; Q532-S535 PolarHBondContact O-N 3.2Å; S535-M539 VanDerWaalsContact O-CB 3.26Å; S535-M539 WeakPolarHBondContact O-CB 3.22Å; S535-M539 VanDerWaalsContact O-CG 3.27Å; S535-M539 WeakPolarHBondContact O-CG 3.25Å; S535-M539 PolarHBondContact O-N 2.75Å
536L80.7Confident79.6Confident104 Ų10491.5 Ų91.555%0.54549%0.494SS..Hα-helixtrans-70.9-32.9169.9-79.2164.4000111.9Q532 E533 C534 M539 A540Q532-L536 WeakPolarHBondContact O-CB 3.27Å; Q532-L536 WeakPolarHBondContact O-CD1 3.15Å; Q532-L536 WeakPolarHBondContact O-CG 3.5Å; Q532-L536 PolarHBondContact O-N 3.5Å; E533-L536 PolarHBondContact O-N 3.43Å; C534-L536 PolarHBondContact O-N 2.75Å; L536-M539 HydrophobicContact CD2-CE 3.88Å; L536-M539 HydrophobicContact CG-CE 4.44Å; L536-A540 WeakPolarHBondContact O-CA 3.26Å; L536-A540 WeakPolarHBondContact O-CB 3.12Å; L536-A540 PolarHBondContact O-N 3.41Å
537S79Confident78.3Confident78 Ų7889.6 Ų89.655%0.54549%0.49SS..Hα-helixtrans-75.7-38.2175.9-171.90000111.4E533 C534 A540 A541E533-S537 WeakPolarHBondContact O-CA 3.23Å; E533-S537 WeakPolarHBondContact O-CB 3.32Å; E533-S537 PolarHBondContact O-N 2.81Å; C534-S537 CarbonylContact O-C 3.5Å; C534-S537 PolarHBondContact O-N 3.49Å; S537-A540 CarbonylContact O-C 3.52Å; S537-A540 PolarHBondContact O-N 3.1Å; S537-A541 WeakPolarHBondContact O-CB 3.27Å; S537-A541 PolarHBondContact O-N 3.44Å
538E79.8Confident76.9Confident128 Ų12888.5 Ų88.560%0.59849%0.489SS*.Hα-helixtrans-64.9-45.6168.2-76.2176.8172.900110.7C534 A540 A541 V542C534-E538 WeakPolarHBondContact O-CB 3.08Å; C534-E538 WeakPolarHBondContact O-CG 3.5Å; C534-E538 PolarHBondContact O-N 2.81Å; E538-A540 VanDerWaalsContact C-N 3.32Å; E538-A540 PolarHBondContact O-N 2.71Å; E538-A541 CarbonylContact O-C 3.58Å; E538-A541 PolarHBondContact O-N 3.46Å; E538-V542 VanDerWaalsContact O-CB 3.27Å; E538-V542 WeakPolarHBondContact O-CB 3.14Å; E538-V542 VanDerWaalsContact O-CG2 3.25Å; E538-V542 WeakPolarHBondContact O-CG2 3.34Å; E538-V542 PolarHBondContact O-N 2.74Å
539M74.9Confident75.6Confident105 Ų10587.4 Ų87.452%0.51749%0.49SS..Hα-helixtrans-65.1-34.5172.5-77.3-165.9-58.700112S535 L536 V543S535-M539 VanDerWaalsContact O-CB 3.26Å; S535-M539 WeakPolarHBondContact O-CB 3.22Å; S535-M539 VanDerWaalsContact O-CG 3.27Å; S535-M539 WeakPolarHBondContact O-CG 3.25Å; S535-M539 PolarHBondContact O-N 2.75Å; L536-M539 HydrophobicContact CD2-CE 3.88Å; L536-M539 HydrophobicContact CG-CE 4.44Å; M539-V543 WeakPolarHBondContact O-CA 3.17Å; M539-V543 WeakPolarHBondContact O-CB 3.49Å; M539-V543 WeakPolarHBondContact O-CG2 3.36Å; M539-V543 PolarHBondContact O-N 2.75Å
540A72.3Confident74.3Confident56 Ų5686.7 Ų86.746%0.46349%0.488SS..Hα-helixtrans-71.5-35.217400000111.5L536 S537 E538 N544L536-A540 WeakPolarHBondContact O-CA 3.26Å; L536-A540 WeakPolarHBondContact O-CB 3.12Å; L536-A540 PolarHBondContact O-N 3.41Å; S537-A540 CarbonylContact O-C 3.52Å; S537-A540 PolarHBondContact O-N 3.1Å; E538-A540 VanDerWaalsContact C-N 3.32Å; E538-A540 PolarHBondContact O-N 2.71Å; A540-N544 WeakPolarHBondContact O-CA 3.36Å; A540-N544 WeakPolarHBondContact O-CB 2.95Å; A540-N544 PolarHBondContact O-N 3.19Å
541A75.5Confident72.8Confident58 Ų5886.1 Ų86.148%0.47949%0.485SS..Hα-helixtrans-74-34.517500000111.9S537 E538 S545S537-A541 WeakPolarHBondContact O-CB 3.27Å; S537-A541 PolarHBondContact O-N 3.44Å; E538-A541 CarbonylContact O-C 3.58Å; E538-A541 PolarHBondContact O-N 3.46Å; A541-S545 WeakPolarHBondContact O-CA 3.16Å; A541-S545 WeakPolarHBondContact O-CB 3.27Å; A541-S545 PolarHBondContact O-N 2.75Å
542V76.1Confident71.3Confident90 Ų9085.7 Ų85.755%0.54549%0.491SS..Hα-helixtrans-75.7-39.5172.8169.40000110.6E538 S545 S546E538-V542 VanDerWaalsContact O-CB 3.27Å; E538-V542 WeakPolarHBondContact O-CB 3.14Å; E538-V542 VanDerWaalsContact O-CG2 3.25Å; E538-V542 WeakPolarHBondContact O-CG2 3.34Å; E538-V542 PolarHBondContact O-N 2.74Å; V542-S545 PolarHBondContact O-N 2.72Å; V542-S546 WeakPolarHBondContact O-CA 3.49Å; V542-S546 WeakPolarHBondContact O-CB 3.42Å; V542-S546 PolarHBondContact O-N 3.27Å; V542-S546 PolarHBondContact O-OG 2.73Å; V542-S546 VanDerWaalsContact O-OG 3.1Å
543V74.2Confident69.8Low98 Ų9885.2 Ų85.259%0.59449%0.491SS*.Hα-helixtrans-68.2-37.3171.7167.80000110.5M539 K547M539-V543 WeakPolarHBondContact O-CA 3.17Å; M539-V543 WeakPolarHBondContact O-CB 3.49Å; M539-V543 WeakPolarHBondContact O-CG2 3.36Å; M539-V543 PolarHBondContact O-N 2.75Å; V543-K547 WeakPolarHBondContact O-CA 3.33Å; V543-K547 WeakPolarHBondContact O-CB 3.1Å; V543-K547 PolarHBondContact O-N 2.72Å
544N73.7Confident68.3Low87 Ų8788.3 Ų88.347%0.46550%0.497SS..Hα-helixtrans-75.4-31.9174.9-168.469.4000112.1A540 L548A540-N544 WeakPolarHBondContact O-CA 3.36Å; A540-N544 WeakPolarHBondContact O-CB 2.95Å; A540-N544 PolarHBondContact O-N 3.19Å; N544-L548 WeakPolarHBondContact ND2-CD1 3.46Å; N544-L548 WeakPolarHBondContact O-CB 3.4Å; N544-L548 VanDerWaalsContact O-CG 3.22Å; N544-L548 WeakPolarHBondContact O-CG 3Å; N544-L548 PolarHBondContact O-N 3.11Å
545S66.8Low66.6Low54 Ų5491.6 Ų91.638%0.37851%0.505SS..Hα-helixtrans-66.7-56.4169.8-175.70000109.6A541 V542 K547 L548 E549A541-S545 WeakPolarHBondContact O-CA 3.16Å; A541-S545 WeakPolarHBondContact O-CB 3.27Å; A541-S545 PolarHBondContact O-N 2.75Å; V542-S545 PolarHBondContact O-N 2.72Å; S545-K547 PolarHBondContact O-N 3.25Å; S545-L548 CarbonylContact O-C 3.42Å; S545-L548 PolarHBondContact O-N 2.7Å; S545-L548 VanDerWaalsContact O-N 3.14Å; S545-E549 WeakPolarHBondContact O-CA 3.03Å; S545-E549 WeakPolarHBondContact O-CB 2.99Å; S545-E549 VanDerWaalsContact O-CG 3.26Å; S545-E549 WeakPolarHBondContact O-CG 2.85Å; S545-E549 PolarHBondContact O-N 2.84Å; S545-E549 PolarHBondContact OG-OE2 2.77Å
546S64.6Low64.9Low65 Ų6590.9 Ų90.946%0.45550%0.5SS..Hα-helixtrans-64.6-20176.1-62.90000113.4V542 A550V542-S546 WeakPolarHBondContact O-CA 3.49Å; V542-S546 WeakPolarHBondContact O-CB 3.42Å; V542-S546 PolarHBondContact O-N 3.27Å; V542-S546 PolarHBondContact O-OG 2.73Å; V542-S546 VanDerWaalsContact O-OG 3.1Å; S546-A550 WeakPolarHBondContact O-CA 3.45Å; S546-A550 WeakPolarHBondContact O-CB 3.24Å; S546-A550 PolarHBondContact O-N 3.43Å
547K64.4Low63.2Low107 Ų10792 Ų9247%0.46550%0.502SS..Hα-helixtrans-80.6-46.4169.1-178.8-176.5170.1-168.40111.4V543 S545 E549 A550 E551V543-K547 WeakPolarHBondContact O-CA 3.33Å; V543-K547 WeakPolarHBondContact O-CB 3.1Å; V543-K547 PolarHBondContact O-N 2.72Å; S545-K547 PolarHBondContact O-N 3.25Å; K547-E549 VanDerWaalsContact C-N 3.26Å; K547-E549 PolarHBondContact O-N 2.92Å; K547-A550 CarbonylContact O-C 3.51Å; K547-A550 PolarHBondContact O-N 2.66Å; K547-A550 VanDerWaalsContact O-N 3.14Å; K547-E551 WeakPolarHBondContact CE-OE1 3.4Å; K547-E551 VanDerWaalsContact CE-OE2 3.27Å; K547-E551 WeakPolarHBondContact CE-OE2 3.22Å; K547-E551 HydrophobicContact CG-CG 4.35Å; K547-E551 IonicContact NZ-OE1 3.17Å; K547-E551 VanDerWaalsContact O-CB 3.24Å; K547-E551 WeakPolarHBondContact O-CB 3.49Å; K547-E551 VanDerWaalsContact O-CG 3.3Å; K547-E551 WeakPolarHBondContact O-CG 3.23Å; K547-E551 PolarHBondContact O-N 3.14Å
548L59.7Low61.4Low99 Ų9992.3 Ų92.352%0.51850%0.504SS..Hα-helixtrans-66.4-29.5173.6-74.1170.6000111.7N544 S545 S552N544-L548 WeakPolarHBondContact ND2-CD1 3.46Å; N544-L548 WeakPolarHBondContact O-CB 3.4Å; N544-L548 VanDerWaalsContact O-CG 3.22Å; N544-L548 WeakPolarHBondContact O-CG 3Å; N544-L548 PolarHBondContact O-N 3.11Å; S545-L548 CarbonylContact O-C 3.42Å; S545-L548 PolarHBondContact O-N 2.7Å; S545-L548 VanDerWaalsContact O-N 3.14Å; L548-S552 WeakPolarHBondContact O-CA 3.02Å; L548-S552 WeakPolarHBondContact O-CB 3.5Å; L548-S552 PolarHBondContact O-N 3.14Å
549E60.2Low59.6Low106 Ų10689.6 Ų89.650%0.49550%0.503SS..Hα-helixtrans-76.4-36.8169.2-71.4175.3125.400110.6S545 K547 L553S545-E549 WeakPolarHBondContact O-CA 3.03Å; S545-E549 WeakPolarHBondContact O-CB 2.99Å; S545-E549 VanDerWaalsContact O-CG 3.26Å; S545-E549 WeakPolarHBondContact O-CG 2.85Å; S545-E549 PolarHBondContact O-N 2.84Å; S545-E549 PolarHBondContact OG-OE2 2.77Å; K547-E549 VanDerWaalsContact C-N 3.26Å; K547-E549 PolarHBondContact O-N 2.92Å; E549-L553 WeakPolarHBondContact O-CA 3.38Å; E549-L553 WeakPolarHBondContact O-CB 3.48Å; E549-L553 WeakPolarHBondContact O-CD1 3.22Å; E549-L553 WeakPolarHBondContact O-CG 2.94Å; E549-L553 PolarHBondContact O-N 2.69Å
550A56.8Low58Low41 Ų4187.9 Ų87.934%0.33949%0.493SS..Hα-helixtrans-71.2-29.817200000112.8S546 K547 R554S546-A550 WeakPolarHBondContact O-CA 3.45Å; S546-A550 WeakPolarHBondContact O-CB 3.24Å; S546-A550 PolarHBondContact O-N 3.43Å; K547-A550 CarbonylContact O-C 3.51Å; K547-A550 PolarHBondContact O-N 2.66Å; K547-A550 VanDerWaalsContact O-N 3.14Å; A550-R554 VanDerWaalsContact O-CB 3.23Å; A550-R554 WeakPolarHBondContact O-CB 3.3Å; A550-R554 WeakPolarHBondContact O-CD 3.5Å; A550-R554 WeakPolarHBondContact O-CG 3.43Å; A550-R554 PolarHBondContact O-N 2.66Å
551E55.8Low56.4Low85 Ų8589.2 Ų89.240%0.39750%0.499SS..Hα-helixtrans-79.7-43175.9-73.1171.7163.300109.6K547 R554 E555K547-E551 WeakPolarHBondContact CE-OE1 3.4Å; K547-E551 VanDerWaalsContact CE-OE2 3.27Å; K547-E551 WeakPolarHBondContact CE-OE2 3.22Å; K547-E551 HydrophobicContact CG-CG 4.35Å; K547-E551 IonicContact NZ-OE1 3.17Å; K547-E551 VanDerWaalsContact O-CB 3.24Å; K547-E551 WeakPolarHBondContact O-CB 3.49Å; K547-E551 VanDerWaalsContact O-CG 3.3Å; K547-E551 WeakPolarHBondContact O-CG 3.23Å; K547-E551 PolarHBondContact O-N 3.14Å; E551-R554 CarbonylContact O-C 3.4Å; E551-R554 WeakPolarHBondContact O-CA 3.06Å; E551-R554 PolarHBondContact O-N 2.91Å; E551-R554 VanDerWaalsContact O-N 3.11Å; E551-E555 WeakPolarHBondContact O-CB 3.22Å; E551-E555 WeakPolarHBondContact O-CG 3.26Å; E551-E555 PolarHBondContact O-N 2.79Å
552S54.2Low55Low68 Ų6894.1 Ų94.148%0.47652%0.517SS..Hα-helixtrans-65.5-35.4169-179.90000113L548 S556L548-S552 WeakPolarHBondContact O-CA 3.02Å; L548-S552 WeakPolarHBondContact O-CB 3.5Å; L548-S552 PolarHBondContact O-N 3.14Å; S552-S556 VanDerWaalsContact O-CB 3.22Å; S552-S556 WeakPolarHBondContact O-CB 3.18Å; S552-S556 PolarHBondContact O-N 2.7Å; S552-S556 PolarHBondContact O-OG 3.28Å
553L52Low53.5Low96 Ų9692.3 Ų92.350%0.50351%0.512SS..Hα-helixtrans-68.9-34170-76.8165000110.8E549 S556 H557E549-L553 WeakPolarHBondContact O-CA 3.38Å; E549-L553 WeakPolarHBondContact O-CB 3.48Å; E549-L553 WeakPolarHBondContact O-CD1 3.22Å; E549-L553 WeakPolarHBondContact O-CG 2.94Å; E549-L553 PolarHBondContact O-N 2.69Å; L553-S556 WeakPolarHBondContact CA-OG 3.41Å; L553-H557 WeakPolarHBondContact O-CB 3.22Å; L553-H557 PolarHBondContact O-CD2 2.79Å; L553-H557 PolarHBondContact O-N 3.38Å
554R50.7Low52.9Low194 Ų19496.2 Ų96.273%0.73252%0.524SS*.Hα-helixtrans-72.6-37173-80.1168.4176-150.4-3.1112.6A550 E551 S558A550-R554 VanDerWaalsContact O-CB 3.23Å; A550-R554 WeakPolarHBondContact O-CB 3.3Å; A550-R554 WeakPolarHBondContact O-CD 3.5Å; A550-R554 WeakPolarHBondContact O-CG 3.43Å; A550-R554 PolarHBondContact O-N 2.66Å; E551-R554 CarbonylContact O-C 3.4Å; E551-R554 WeakPolarHBondContact O-CA 3.06Å; E551-R554 PolarHBondContact O-N 2.91Å; E551-R554 VanDerWaalsContact O-N 3.11Å; R554-S558 VanDerWaalsContact O-CB 3.24Å; R554-S558 WeakPolarHBondContact O-CB 3.24Å; R554-S558 PolarHBondContact O-N 2.76Å; R554-S558 PolarHBondContact O-OG 2.86Å
555E45.1Very low53Low148 Ų14899 Ų9969%0.69253%0.528SS*.Hα-helixtrans-72.2-32.8173.8-71.4-173.9134.800111.6E551 S558 A559E551-E555 WeakPolarHBondContact O-CB 3.22Å; E551-E555 WeakPolarHBondContact O-CG 3.26Å; E551-E555 PolarHBondContact O-N 2.79Å; E555-S558 WeakPolarHBondContact CA-OG 3.47Å; E555-S558 PolarHBondContact O-OG 2.67Å; E555-A559 PolarHBondContact O-N 2.8Å
556S46.5Very low53.4Low42 Ų4297.1 Ų97.129%0.29452%0.515SS..Hα-helixtrans-85-26.4175.961.40000114.6S552 L553 F560S552-S556 VanDerWaalsContact O-CB 3.22Å; S552-S556 WeakPolarHBondContact O-CB 3.18Å; S552-S556 PolarHBondContact O-N 2.7Å; S552-S556 PolarHBondContact O-OG 3.28Å; L553-S556 WeakPolarHBondContact CA-OG 3.41Å; S556-F560 PolarHBondContact O-N 3.06Å
557H45.2Very low54Low126 Ų12697.6 Ų97.658%0.58351%0.513SS*.Hα-helixtrans-85-17.8168.5-84.8-89.8000114.3L553 A559 F560 S561L553-H557 WeakPolarHBondContact O-CB 3.22Å; L553-H557 PolarHBondContact O-CD2 2.79Å; L553-H557 PolarHBondContact O-N 3.38Å; H557-A559 VanDerWaalsContact C-N 3.32Å; H557-F560 CarbonylContact O-C 3.52Å; H557-S561 PolarHBondContact O-N 3.43Å
558S42.1Very low54.7Low86 Ų8695.8 Ų95.860%0.60151%0.508SS*.Hα-helixtrans-79.8-15.9166.853.60000113R554 E555R554-S558 VanDerWaalsContact O-CB 3.24Å; R554-S558 WeakPolarHBondContact O-CB 3.24Å; R554-S558 PolarHBondContact O-N 2.76Å; R554-S558 PolarHBondContact O-OG 2.86Å; E555-S558 WeakPolarHBondContact CA-OG 3.47Å; E555-S558 PolarHBondContact O-OG 2.67Å
559A40.1Very low55.5Low70 Ų7095.6 Ų95.658%0.57952%0.515SS*.SBendtrans-94.5-10.2169.900000114.6E555 H557E555-A559 PolarHBondContact O-N 2.8Å; H557-A559 VanDerWaalsContact C-N 3.32Å
560F42.2Very low56.4Low69 Ų6996.9 Ų96.930%0.30352%0.521SS..SBendtrans-139.251.1173.6-75.8-78.9000111.2S556 H557 L624 R628S556-F560 PolarHBondContact O-N 3.06Å; H557-F560 CarbonylContact O-C 3.52Å; F560-L624 HydrophobicContact CZ-CD1 4.29Å; F560-R628 VanDerWaalsContact CE2-NH1 3.33Å
561S39.3Very low57.3Low84 Ų8496.4 Ų96.459%0.58751%0.513SS*.SBendtrans-64.3164.4163.749.70000110.9H557 A563H557-S561 PolarHBondContact O-N 3.43Å; S561-A563 PolarHBondContact O-N 3.37Å
562D44.5Very low58.7Low162 Ų16296.1 Ų96.187%0.86652%0.519SS*.  trans-52.6106.3-179.3-79.4-57.5000111.4Q564D562-Q564 PolarHBondContact O-N 3.29Å
563A46.5Very low60.5Low52 Ų5295.5 Ų95.543%0.4351%0.51SS..  trans-72.293.2-170.400000110.3S561 W565S561-A563 PolarHBondContact O-N 3.37Å; A563-W565 PolarHBondContact O-N 3.06Å; A563-W565 VanDerWaalsContact O-N 3.13Å
564Q61.3Low62.4Low180 Ų18090.9 Ų90.984%0.84149%0.486SS*.  trans-47.4121.6176.6-79.2-172.5-35.400109.9D562 A566D562-Q564 PolarHBondContact O-N 3.29Å; Q564-A566 PolarHBondContact O-N 3.13Å
565W74.9Confident64.3Low146 Ų14686.7 Ų86.755%0.55347%0.473SS*.  trans-69109-174-164.8-88.2000109A563 N567 H589 R591A563-W565 PolarHBondContact O-N 3.06Å; A563-W565 VanDerWaalsContact O-N 3.13Å; W565-N567 PolarHBondContact O-N 2.89Å; W565-H589 AromaticContact CD1-CD2 3.6Å; W565-H589 AromaticContact CD1-NE2 3.7Å; W565-H589 AromaticContact CE2-CD2 3.5Å; W565-H589 AromaticContact CE2-CG 3.53Å; W565-H589 HydrophobicContact CH2-CB 3.84Å; W565-H589 HydrophobicContact CZ2-CB 3.36Å; W565-H589 AromaticContact CZ2-CD2 3.99Å; W565-H589 AromaticContact CZ2-CG 3.52Å; W565-H589 AromaticContact NE1-CD2 3.1Å; W565-H589 PolarHBondContact NE1-CD2 3.29Å; W565-H589 AromaticContact NE1-CE1 3.72Å; W565-H589 AromaticContact NE1-CG 3.44Å; W565-H589 AromaticContact NE1-ND1 3.82Å; W565-H589 AromaticContact NE1-NE2 3.28Å; W565-H589 PolarHBondContact NE1-NE2 2.73Å; W565-R591 HydrophobicContact CH2-CG 4.23Å
566A75.1Confident66.4Low14 Ų1483.2 Ų83.212%0.11646%0.459CS..  trans-62.4132.7-168.300000110.8Q564 H589 G594 L595 I596Q564-A566 PolarHBondContact O-N 3.13Å; A566-H589 PolarHBondContact O-NE2 3.17Å; A566-G594 WeakPolarHBondContact CB-O 3.21Å; A566-G594 PolarHBondContact N-O 3.4Å; A566-L595 HydrophobicContact CB-CD2 4.37Å; A566-I596 HydrophobicContact CB-CD1 3.95Å; A566-I596 HydrophobicContact CB-CG1 4.06Å; A566-I596 VanDerWaalsContact O-CD1 3.25Å; A566-I596 WeakPolarHBondContact O-CD1 3.26Å
567N77.7Confident68.5Low75 Ų7583.7 Ų83.740%0.40146%0.461SS..  trans-78.7134.4-173.8-166.33.5000111W565 S569 E570 N571W565-N567 PolarHBondContact O-N 2.89Å; N567-S569 VanDerWaalsContact CG-OG 3.31Å; N567-S569 PolarHBondContact ND2-OG 3.07Å; N567-S569 VanDerWaalsContact ND2-OG 3.08Å; N567-S569 PolarHBondContact O-N 3.28Å; N567-S569 PolarHBondContact OD1-OG 2.94Å; N567-E570 HydrophobicContact CB-CB 4.33Å; N567-E570 VanDerWaalsContact CB-CD 3.5Å; N567-E570 HydrophobicContact CB-CG 4.29Å; N567-E570 WeakPolarHBondContact CB-OE1 3.47Å; N567-E570 WeakPolarHBondContact CB-OE2 3.43Å; N567-E570 PolarHBondContact ND2-OE1 3.1Å; N567-E570 PolarHBondContact O-N 2.74Å; N567-E570 VanDerWaalsContact O-N 3.13Å; N567-N571 PolarHBondContact O-N 3.08Å; N567-N571 PolarHBondContact O-ND2 2.92Å
568D78.6Confident70.6Confident68 Ų6883.4 Ų83.436%0.36446%0.46SS..THydrogen-bonded Turntrans-64.6-27.8-175-96.613.1000112.6R587 H589 I596D568-R587 PolarHBondContact O-NE 3.41Å; D568-R587 PolarHBondContact O-NH2 3.01Å; D568-R587 VanDerWaalsContact OD1-CD 3.3Å; D568-R587 WeakPolarHBondContact OD1-CD 3.29Å; D568-H589 IonicContact OD1-CE1 2.59Å; D568-H589 PolarHBondContact OD1-CE1 2.94Å; D568-H589 IonicContact OD1-NE2 2.64Å; D568-I596 VanDerWaalsContact OD1-CD1 3.27Å; D568-I596 WeakPolarHBondContact OD1-CD1 3.49Å
569S76.3Confident72.9Confident95 Ų9581.3 Ų81.366%0.66445%0.445SS*.THydrogen-bonded Turntrans-74.7-27.9175.948.10000113.9N567N567-S569 VanDerWaalsContact CG-OG 3.31Å; N567-S569 PolarHBondContact ND2-OG 3.07Å; N567-S569 VanDerWaalsContact ND2-OG 3.08Å; N567-S569 PolarHBondContact O-N 3.28Å; N567-S569 PolarHBondContact OD1-OG 2.94Å
570E78.7Confident75.1Confident134 Ų13481.7 Ų81.763%0.62644%0.442SS*.THydrogen-bonded Turntrans-91.1-11.9-176.1-71.1150-140.600112.6N567 P572N567-E570 HydrophobicContact CB-CB 4.33Å; N567-E570 VanDerWaalsContact CB-CD 3.5Å; N567-E570 HydrophobicContact CB-CG 4.29Å; N567-E570 WeakPolarHBondContact CB-OE1 3.47Å; N567-E570 WeakPolarHBondContact CB-OE2 3.43Å; N567-E570 PolarHBondContact ND2-OE1 3.1Å; N567-E570 PolarHBondContact O-N 2.74Å; N567-E570 VanDerWaalsContact O-N 3.13Å; E570-P572 VanDerWaalsContact O-CD 3.23Å; E570-P572 WeakPolarHBondContact O-CD 3.46Å
571N76.8Confident77.3Confident31 Ų3179.6 Ų79.617%0.16643%0.433CS..  trans-116.787.1-174.8-70.7-97000110.4N567 N573 R587 I596N567-N571 PolarHBondContact O-N 3.08Å; N567-N571 PolarHBondContact O-ND2 2.92Å; N571-N573 VanDerWaalsContact C-N 3.34Å; N571-R587 PolarHBondContact O-NE 2.92Å; N571-R587 PolarHBondContact O-NH2 3.39Å; N571-R587 VanDerWaalsContact O-NH2 3.12Å; N571-I596 HydrophobicContact CB-CB 4.27Å; N571-I596 HydrophobicContact CB-CD1 3.61Å
572P85.4Confident79.5Confident79 Ų7980 Ų8051%0.51343%0.428SS..  trans-76.3-19.7176.730.6-35000113.2E570 P580 F581E570-P572 VanDerWaalsContact O-CD 3.23Å; E570-P572 WeakPolarHBondContact O-CD 3.46Å; P572-P580 WeakPolarHBondContact O-CA 3.23Å; P572-F581 VanDerWaalsContact O-CD2 3.26Å; P572-F581 WeakPolarHBondContact O-CD2 3.25Å; P572-F581 PolarHBondContact O-N 2.94Å
573N91.5Very high81.3Confident54 Ų5478.7 Ų78.729%0.28943%0.426SS..BIsolated β-bridgetrans-128.1153.8-172.9-64.239.8000111.7N571 F575 Q578 S579 F581N571-N573 VanDerWaalsContact C-N 3.34Å; N573-F575 PolarHBondContact O-N 3.39Å; N573-Q578 PolarHBondContact ND2-O 3.4Å; N573-S579 WeakPolarHBondContact CA-O 3.31Å; N573-F581 VanDerWaalsContact O-CE2 3.23Å; N573-F581 WeakPolarHBondContact O-CE2 3.27Å
574C91.7Very high83.2Confident0 Ų081.5 Ų81.50%044%0.443CS..  trans-64.9125.3175.61730000111.6L576 C577 Q578 S579 F581 C598C574-L576 PolarHBondContact O-N 3.46Å; C574-L576 VanDerWaalsContact O-N 3.12Å; C574-C577 VanDerWaalsContact CB-SG 3.58Å; C574-C577 PolarHBondContact SG-SG 3.06Å; C574-Q578 WeakPolarHBondContact O-CA 3.46Å; C574-Q578 PolarHBondContact O-N 3.33Å; C574-S579 PolarHBondContact N-O 3.15Å; C574-F581 VanDerWaalsContact CA-CZ 3.48Å; C574-F581 HydrophobicContact CB-CE1 4.27Å; C574-F581 HydrophobicContact CB-CZ 3.9Å; C574-C598 HydrophobicContact CB-CB 4.11Å; C574-C598 PolarHBondContact SG-N 2.93Å
575F90.9Very high84.4Confident105 Ų10576.6 Ų76.646%0.46142%0.416SS..THydrogen-bonded Turntrans-57.2-31.5-176.4-170.7-86.5000114.3N573 Q578 L595 I596 F597N573-F575 PolarHBondContact O-N 3.39Å; F575-Q578 PolarHBondContact O-NE2 3.26Å; F575-Q578 VanDerWaalsContact O-NE2 3.09Å; F575-L595 HydrophobicContact CB-CB 4.43Å; F575-L595 HydrophobicContact CD1-CD1 3.92Å; F575-L595 HydrophobicContact CD2-CB 4.33Å; F575-L595 HydrophobicContact CD2-CD1 4.02Å; F575-L595 HydrophobicContact CD2-CD2 3.75Å; F575-L595 HydrophobicContact CD2-CG 4.24Å; F575-L595 HydrophobicContact CE1-CD1 3.67Å; F575-L595 HydrophobicContact CE2-CD1 3.76Å; F575-L595 HydrophobicContact CE2-CD2 3.72Å; F575-L595 HydrophobicContact CE2-CG 4.28Å; F575-L595 HydrophobicContact CG-CB 4.19Å; F575-L595 HydrophobicContact CG-CD1 4.1Å; F575-L595 HydrophobicContact CG-CD2 4.43Å; F575-L595 HydrophobicContact CG-CG 4.47Å; F575-L595 HydrophobicContact CZ-CD1 3.58Å; F575-L595 HydrophobicContact CZ-CD2 4.4Å; F575-I596 VanDerWaalsContact CB-O 3.29Å; F575-I596 WeakPolarHBondContact CB-O 3.28Å; F575-I596 PolarHBondContact N-O 2.93Å; F575-F597 HydrophobicContact CB-CD1 4.2Å; F575-F597 HydrophobicContact CB-CE1 3.81Å; F575-F597 HydrophobicContact CB-CZ 4.05Å; F575-F597 AromaticContact CD1-CE1 3.95Å; F575-F597 HydrophobicContact CD1-CE1 3.95Å; F575-F597 AromaticContact CD1-CZ 4Å; F575-F597 HydrophobicContact CD1-CZ 4Å; F575-F597 HydrophobicContact CG-CE1 4.32Å; F575-F597 HydrophobicContact CG-CZ 4.32Å
576L89.1Confident85Confident75 Ų7578.3 Ų78.339%0.39342%0.423SS..THydrogen-bonded Turntrans-87.5-49.5-179.6-17062.7000113.8C574 F597 C601 D619C574-L576 PolarHBondContact O-N 3.46Å; C574-L576 VanDerWaalsContact O-N 3.12Å; L576-F597 HydrophobicContact CB-CD1 3.77Å; L576-F597 HydrophobicContact CB-CE1 3.86Å; L576-C601 HydrophobicContact CB-CB 3.86Å; L576-C601 HydrophobicContact CD2-CB 3.75Å; L576-C601 HydrophobicContact CG-CB 4.34Å; L576-D619 HydrophobicContact CD2-CB 4.24Å
577C90.6Very high85.7Confident52 Ų5282 Ų8235%0.35143%0.434SS..THydrogen-bonded Turntrans-104.75.4-173.669.30000114.6C574 S579 C598 C601C574-C577 VanDerWaalsContact CB-SG 3.58Å; C574-C577 PolarHBondContact SG-SG 3.06Å; C577-S579 PolarHBondContact O-N 3.34Å; C577-S579 PolarHBondContact O-OG 3.13Å; C577-S579 PolarHBondContact SG-OG 3.23Å; C577-C598 VanDerWaalsContact SG-SG 3.61Å; C577-C601 VanDerWaalsContact CB-SG 3.58Å
578Q89.8Confident86.3Confident121 Ų12180.6 Ų80.657%0.56543%0.425SS*.  trans52.414.1179-58-60.1-23.400115.6N573 C574 F575N573-Q578 PolarHBondContact ND2-O 3.4Å; C574-Q578 WeakPolarHBondContact O-CA 3.46Å; C574-Q578 PolarHBondContact O-N 3.33Å; F575-Q578 PolarHBondContact O-NE2 3.26Å; F575-Q578 VanDerWaalsContact O-NE2 3.09Å
579S89.3Confident86.8Confident41 Ų4178.6 Ų78.629%0.28741%0.413SS..PPolyproline II helixtrans-75.9131.5179.1-63.70000111N573 C574 C577N573-S579 WeakPolarHBondContact CA-O 3.31Å; C574-S579 PolarHBondContact N-O 3.15Å; C577-S579 PolarHBondContact O-N 3.34Å; C577-S579 PolarHBondContact O-OG 3.13Å; C577-S579 PolarHBondContact SG-OG 3.23Å
580P87.2Confident87.5Confident78 Ų7874 Ų7451%0.50638%0.381SS..BIsolated β-bridgetrans-67.6139.2-178.327-34.6000112.5P572 R585P572-P580 WeakPolarHBondContact O-CA 3.23Å; P580-R585 WeakPolarHBondContact O-CD 3.47Å
581F87.8Confident87.9Confident26 Ų2672.6 Ų72.611%0.11437%0.37CS..PPolyproline II helixtrans-73.5145.3175.5-65.4-64.6000111.5P572 N573 C574 R585 R586 R587 I596 C598P572-F581 VanDerWaalsContact O-CD2 3.26Å; P572-F581 WeakPolarHBondContact O-CD2 3.25Å; P572-F581 PolarHBondContact O-N 2.94Å; N573-F581 VanDerWaalsContact O-CE2 3.23Å; N573-F581 WeakPolarHBondContact O-CE2 3.27Å; C574-F581 VanDerWaalsContact CA-CZ 3.48Å; C574-F581 HydrophobicContact CB-CE1 4.27Å; C574-F581 HydrophobicContact CB-CZ 3.9Å; F581-R585 WeakPolarHBondContact CA-O 3.23Å; F581-R585 WeakPolarHBondContact CB-O 3.48Å; F581-R585 HydrophobicContact CD1-CG 4.1Å; F581-R585 WeakPolarHBondContact CD1-O 3.38Å; F581-R586 WeakPolarHBondContact CE1-O 3.42Å; F581-R587 HydrophobicContact CB-CG 4.24Å; F581-R587 HydrophobicContact CD1-CG 3.89Å; F581-R587 HydrophobicContact CD2-CG 3.56Å; F581-R587 HydrophobicContact CE1-CG 4.11Å; F581-R587 HydrophobicContact CE2-CG 3.8Å; F581-R587 HydrophobicContact CG-CG 3.63Å; F581-R587 HydrophobicContact CZ-CG 4.08Å; F581-I596 HydrophobicContact CE1-CG2 4.49Å; F581-I596 HydrophobicContact CE2-CG2 3.53Å; F581-I596 HydrophobicContact CZ-CG2 3.51Å; F581-C598 HydrophobicContact CE1-CB 4.03Å
582N85.1Confident88.1Confident91 Ų9172.7 Ų72.749%0.48737%0.371SS..  trans-155.2-173.1-179.561.263.5000110.2S584 R585N582-S584 PolarHBondContact O-N 2.81Å; N582-S584 WeakPolarHBondContact OD1-CA 3.38Å; N582-S584 WeakPolarHBondContact OD1-CB 3.45Å; N582-S584 PolarHBondContact OD1-N 2.74Å; N582-R585 PolarHBondContact N-O 3.14Å; N582-R585 CarbonylContact O-C 3.32Å; N582-R585 PolarHBondContact O-N 2.89Å; N582-R585 PolarHBondContact OD1-N 3.22Å
583V83Confident88.2Confident136 Ų13670.2 Ų70.282%0.82436%0.355SS*.SBendtrans-57.9-32.5-176.8-174.70000112.7
584S85.8Confident87.9Confident111 Ų11167.8 Ų67.878%0.77634%0.342SS*.SBendtrans-88.4-51.9175.5-177.90000111.9N582 R586N582-S584 PolarHBondContact O-N 2.81Å; N582-S584 WeakPolarHBondContact OD1-CA 3.38Å; N582-S584 WeakPolarHBondContact OD1-CB 3.45Å; N582-S584 PolarHBondContact OD1-N 2.74Å; S584-R586 PolarHBondContact O-N 3.48Å; S584-R586 VanDerWaalsContact O-N 3.12Å
585R87.6Confident87.8Confident77 Ų7770 Ų7029%0.29135%0.354SS..SBendtrans-81.590.2178-172.1172.7-68.2-70.3-11.5110.2P580 F581 N582 C598 E600P580-R585 WeakPolarHBondContact O-CD 3.47Å; F581-R585 WeakPolarHBondContact CA-O 3.23Å; F581-R585 WeakPolarHBondContact CB-O 3.48Å; F581-R585 HydrophobicContact CD1-CG 4.1Å; F581-R585 WeakPolarHBondContact CD1-O 3.38Å; N582-R585 PolarHBondContact N-O 3.14Å; N582-R585 CarbonylContact O-C 3.32Å; N582-R585 PolarHBondContact O-N 2.89Å; N582-R585 PolarHBondContact OD1-N 3.22Å; R585-C598 HydrophobicContact CG-CB 3.88Å; R585-C598 PolarHBondContact NH1-SG 2.93Å; R585-E600 IonicContact CZ-OE2 3.76Å; R585-E600 IonicContact NH1-OE2 2.69Å; R585-E600 PolarHBondContact NH1-OE2 3.24Å; R585-E600 IonicContact NH2-OE2 3.99Å
586R86.6Confident87.8Confident181 Ų18165 Ų6568%0.68333%0.332SS*.  trans-82157.1179.6-73.7179.9161.3159.6-5.6114F581 S584F581-R586 WeakPolarHBondContact CE1-O 3.42Å; S584-R586 PolarHBondContact O-N 3.48Å; S584-R586 VanDerWaalsContact O-N 3.12Å
587R89.3Confident88Confident93 Ų9361.6 Ų61.635%0.35131%0.314SS..  trans-78.2139.1177.1-68.5-174.7178.691.7-0.3112.7D568 N571 F581 I596D568-R587 PolarHBondContact O-NE 3.41Å; D568-R587 PolarHBondContact O-NH2 3.01Å; D568-R587 VanDerWaalsContact OD1-CD 3.3Å; D568-R587 WeakPolarHBondContact OD1-CD 3.29Å; N571-R587 PolarHBondContact O-NE 2.92Å; N571-R587 PolarHBondContact O-NH2 3.39Å; N571-R587 VanDerWaalsContact O-NH2 3.12Å; F581-R587 HydrophobicContact CB-CG 4.24Å; F581-R587 HydrophobicContact CD1-CG 3.89Å; F581-R587 HydrophobicContact CD2-CG 3.56Å; F581-R587 HydrophobicContact CE1-CG 4.11Å; F581-R587 HydrophobicContact CE2-CG 3.8Å; F581-R587 HydrophobicContact CG-CG 3.63Å; F581-R587 HydrophobicContact CZ-CG 4.08Å; R587-I596 HydrophobicContact CB-CG2 3.73Å; R587-I596 HydrophobicContact CG-CG2 3.8Å
588H90.7Very high88.1Confident45 Ų4559.1 Ų59.121%0.20830%0.297CS..EExtended strand (participates in β ladder)trans-144.1116.1175.8-58.4-30.7000112.4F597 R616H588-F597 WeakPolarHBondContact CB-O 3.37Å; H588-F597 PolarHBondContact N-O 3.48Å; H588-F597 PolarHBondContact O-N 3.45Å; H588-R616 PolarHBondContact CD2-NH1 3.2Å; H588-R616 VanDerWaalsContact CD2-NH1 3.3Å
589H89.8Confident88.1Confident25 Ų2558.3 Ų58.312%0.11629%0.293CS..EExtended strand (participates in β ladder)trans-68.2141.5174.4-5574.2000113.5W565 A566 D568 R591 G594 L595 I596W565-H589 AromaticContact CD1-CD2 3.6Å; W565-H589 AromaticContact CD1-NE2 3.7Å; W565-H589 AromaticContact CE2-CD2 3.5Å; W565-H589 AromaticContact CE2-CG 3.53Å; W565-H589 HydrophobicContact CH2-CB 3.84Å; W565-H589 HydrophobicContact CZ2-CB 3.36Å; W565-H589 AromaticContact CZ2-CD2 3.99Å; W565-H589 AromaticContact CZ2-CG 3.52Å; W565-H589 AromaticContact NE1-CD2 3.1Å; W565-H589 PolarHBondContact NE1-CD2 3.29Å; W565-H589 AromaticContact NE1-CE1 3.72Å; W565-H589 AromaticContact NE1-CG 3.44Å; W565-H589 AromaticContact NE1-ND1 3.82Å; W565-H589 AromaticContact NE1-NE2 3.28Å; W565-H589 PolarHBondContact NE1-NE2 2.73Å; A566-H589 PolarHBondContact O-NE2 3.17Å; D568-H589 IonicContact OD1-CE1 2.59Å; D568-H589 PolarHBondContact OD1-CE1 2.94Å; D568-H589 IonicContact OD1-NE2 2.64Å; H589-R591 PolarHBondContact O-NH1 2.91Å; H589-G594 PolarHBondContact CD2-O 3.12Å; H589-L595 CarbonylContact C-O 3.55Å; H589-L595 VanDerWaalsContact CA-O 3.29Å; H589-L595 WeakPolarHBondContact CA-O 3.17Å; H589-I596 VanDerWaalsContact CD2-CG1 3.46Å; H589-I596 WeakPolarHBondContact CD2-CG1 3.28Å; H589-I596 VanDerWaalsContact NE2-CG1 3.31Å; H589-I596 WeakPolarHBondContact NE2-CG1 3.3Å
590C90.6Very high88.2Confident0 Ų061.2 Ų61.20%030%0.302CS..  trans-79.4123.8164.3176.50000109.9N592 C593 G594 L595 F597 C618 C621C590-N592 PolarHBondContact O-N 2.87Å; C590-N592 VanDerWaalsContact O-N 3.15Å; C590-N592 PolarHBondContact SG-N 3.08Å; C590-C593 VanDerWaalsContact CB-SG 3.52Å; C590-C593 PolarHBondContact O-N 3.32Å; C590-G594 PolarHBondContact O-N 3.43Å; C590-L595 PolarHBondContact N-O 2.9Å; C590-F597 HydrophobicContact CB-CD2 3.81Å; C590-F597 HydrophobicContact CB-CE2 3.44Å; C590-F597 VanDerWaalsContact CB-CE2 3.44Å; C590-F597 HydrophobicContact CB-CZ 4.45Å; C590-C618 HydrophobicContact CB-CB 4.23Å; C590-C618 PolarHBondContact SG-N 3.44Å; C590-C621 VanDerWaalsContact SG-SG 3.65Å
591R86.6Confident88.4Confident104 Ų10458.1 Ų58.139%0.39228%0.282SS..THydrogen-bonded Turntrans-73.5-2.5-178.9-79.669.1173.21624.8114.3W565 H589 L608 V615 R616W565-R591 HydrophobicContact CH2-CG 4.23Å; H589-R591 PolarHBondContact O-NH1 2.91Å; R591-L608 HydrophobicContact CB-CD1 3.86Å; R591-L608 VanDerWaalsContact O-CD1 3.23Å; R591-L608 WeakPolarHBondContact O-CD1 3.29Å; R591-V615 HydrophobicContact CB-CB 3.93Å; R591-V615 HydrophobicContact CB-CG2 3.75Å; R591-V615 HydrophobicContact CG-CB 3.92Å; R591-V615 HydrophobicContact CG-CG1 4.38Å; R591-V615 HydrophobicContact CG-CG2 4.27Å; R591-R616 WeakPolarHBondContact CD-O 3.15Å; R591-R616 PolarHBondContact N-O 2.76Å
592N82.2Confident88.6Confident33 Ų3356.9 Ų56.918%0.17628%0.277CS..THydrogen-bonded Turntrans-107.2-19.5176.8-171.181000113.9C590 L608 V617 C621 L625C590-N592 PolarHBondContact O-N 2.87Å; C590-N592 VanDerWaalsContact O-N 3.15Å; C590-N592 PolarHBondContact SG-N 3.08Å; N592-L608 HydrophobicContact CB-CD1 4.03Å; N592-L608 HydrophobicContact CB-CD2 4.24Å; N592-V617 HydrophobicContact CB-CG1 3.95Å; N592-C621 HydrophobicContact CB-CB 3.97Å; N592-C621 PolarHBondContact ND2-SG 3.27Å; N592-L625 HydrophobicContact CB-CD1 4.21Å
593C86.6Confident88.8Confident27 Ų2755.6 Ų55.618%0.18228%0.275CS..THydrogen-bonded Turntrans-138.410.6-17969.30000115.3C590 L595C590-C593 VanDerWaalsContact CB-SG 3.52Å; C590-C593 PolarHBondContact O-N 3.32Å; C593-L595 WeakPolarHBondContact O-CG 3.41Å; C593-L595 PolarHBondContact O-N 3.38Å
594G85.9Confident89.1Confident2 Ų254.9 Ų54.92%0.02126%0.258CS..  trans70.5-22.1172.800000116.4A566 H589 C590A566-G594 WeakPolarHBondContact CB-O 3.21Å; A566-G594 PolarHBondContact N-O 3.4Å; H589-G594 PolarHBondContact CD2-O 3.12Å; C590-G594 PolarHBondContact O-N 3.43Å
595L88.9Confident89.3Confident48 Ų4856.7 Ų56.725%0.25125%0.251SS..  trans-72.4158.9-174.5-64.8162.9000113.4A566 F575 H589 C590 C593 F597A566-L595 HydrophobicContact CB-CD2 4.37Å; F575-L595 HydrophobicContact CB-CB 4.43Å; F575-L595 HydrophobicContact CD1-CD1 3.92Å; F575-L595 HydrophobicContact CD2-CB 4.33Å; F575-L595 HydrophobicContact CD2-CD1 4.02Å; F575-L595 HydrophobicContact CD2-CD2 3.75Å; F575-L595 HydrophobicContact CD2-CG 4.24Å; F575-L595 HydrophobicContact CE1-CD1 3.67Å; F575-L595 HydrophobicContact CE2-CD1 3.76Å; F575-L595 HydrophobicContact CE2-CD2 3.72Å; F575-L595 HydrophobicContact CE2-CG 4.28Å; F575-L595 HydrophobicContact CG-CB 4.19Å; F575-L595 HydrophobicContact CG-CD1 4.1Å; F575-L595 HydrophobicContact CG-CD2 4.43Å; F575-L595 HydrophobicContact CG-CG 4.47Å; F575-L595 HydrophobicContact CZ-CD1 3.58Å; F575-L595 HydrophobicContact CZ-CD2 4.4Å; H589-L595 CarbonylContact C-O 3.55Å; H589-L595 VanDerWaalsContact CA-O 3.29Å; H589-L595 WeakPolarHBondContact CA-O 3.17Å; C590-L595 PolarHBondContact N-O 2.9Å; C593-L595 WeakPolarHBondContact O-CG 3.41Å; C593-L595 PolarHBondContact O-N 3.38Å; L595-F597 VanDerWaalsContact C-CE2 3.49Å; L595-F597 HydrophobicContact CB-CE2 3.65Å; L595-F597 HydrophobicContact CB-CZ 3.88Å; L595-F597 WeakPolarHBondContact O-CD2 3.23Å; L595-F597 WeakPolarHBondContact O-CE2 3.17Å
596I91.4Very high89.1Confident0 Ų054 Ų540%024%0.243CC..EExtended strand (participates in β ladder)trans-100.9130-173.3-67.8159.2000112.3A566 D568 N571 F575 F581 R587 H589A566-I596 HydrophobicContact CB-CD1 3.95Å; A566-I596 HydrophobicContact CB-CG1 4.06Å; A566-I596 VanDerWaalsContact O-CD1 3.25Å; A566-I596 WeakPolarHBondContact O-CD1 3.26Å; D568-I596 VanDerWaalsContact OD1-CD1 3.27Å; D568-I596 WeakPolarHBondContact OD1-CD1 3.49Å; N571-I596 HydrophobicContact CB-CB 4.27Å; N571-I596 HydrophobicContact CB-CD1 3.61Å; F575-I596 VanDerWaalsContact CB-O 3.29Å; F575-I596 WeakPolarHBondContact CB-O 3.28Å; F575-I596 PolarHBondContact N-O 2.93Å; F581-I596 HydrophobicContact CE1-CG2 4.49Å; F581-I596 HydrophobicContact CE2-CG2 3.53Å; F581-I596 HydrophobicContact CZ-CG2 3.51Å; R587-I596 HydrophobicContact CB-CG2 3.73Å; R587-I596 HydrophobicContact CG-CG2 3.8Å; H589-I596 VanDerWaalsContact CD2-CG1 3.46Å; H589-I596 WeakPolarHBondContact CD2-CG1 3.28Å; H589-I596 VanDerWaalsContact NE2-CG1 3.31Å; H589-I596 WeakPolarHBondContact NE2-CG1 3.3Å
597F92.9Very high88.9Confident3 Ų348 Ų481%0.01323%0.226CC..EExtended strand (participates in β ladder)trans-129.2164.2-176.7-57.9-91.9000111.5F575 L576 H588 C590 L595 C601 C618F575-F597 HydrophobicContact CB-CD1 4.2Å; F575-F597 HydrophobicContact CB-CE1 3.81Å; F575-F597 HydrophobicContact CB-CZ 4.05Å; F575-F597 AromaticContact CD1-CE1 3.95Å; F575-F597 HydrophobicContact CD1-CE1 3.95Å; F575-F597 AromaticContact CD1-CZ 4Å; F575-F597 HydrophobicContact CD1-CZ 4Å; F575-F597 HydrophobicContact CG-CE1 4.32Å; F575-F597 HydrophobicContact CG-CZ 4.32Å; L576-F597 HydrophobicContact CB-CD1 3.77Å; L576-F597 HydrophobicContact CB-CE1 3.86Å; H588-F597 WeakPolarHBondContact CB-O 3.37Å; H588-F597 PolarHBondContact N-O 3.48Å; H588-F597 PolarHBondContact O-N 3.45Å; C590-F597 HydrophobicContact CB-CD2 3.81Å; C590-F597 HydrophobicContact CB-CE2 3.44Å; C590-F597 VanDerWaalsContact CB-CE2 3.44Å; C590-F597 HydrophobicContact CB-CZ 4.45Å; L595-F597 VanDerWaalsContact C-CE2 3.49Å; L595-F597 HydrophobicContact CB-CE2 3.65Å; L595-F597 HydrophobicContact CB-CZ 3.88Å; L595-F597 WeakPolarHBondContact O-CD2 3.23Å; L595-F597 WeakPolarHBondContact O-CE2 3.17Å; F597-C601 HydrophobicContact CB-CB 4.37Å; F597-C601 HydrophobicContact CD1-CB 4.3Å; F597-C618 HydrophobicContact CD1-CB 3.71Å; F597-C618 HydrophobicContact CD2-CB 3.84Å; F597-C618 HydrophobicContact CE1-CB 3.5Å; F597-C618 HydrophobicContact CE2-CB 3.65Å; F597-C618 HydrophobicContact CG-CB 3.89Å; F597-C618 HydrophobicContact CZ-CB 3.49Å; F597-C618 VanDerWaalsContact CZ-CB 3.49Å; F597-C618 VanDerWaalsContact CZ-SG 3.58Å
598C93.1Very high88.5Confident0 Ų044.1 Ų44.10%021%0.212CC..  trans-84.7179.9166.466.40000111.5C574 C577 F581 R585 E600 C601 S602C574-C598 HydrophobicContact CB-CB 4.11Å; C574-C598 PolarHBondContact SG-N 2.93Å; C577-C598 VanDerWaalsContact SG-SG 3.61Å; F581-C598 HydrophobicContact CE1-CB 4.03Å; R585-C598 HydrophobicContact CG-CB 3.88Å; R585-C598 PolarHBondContact NH1-SG 2.93Å; C598-E600 PolarHBondContact O-N 2.83Å; C598-E600 PolarHBondContact SG-OE2 2.91Å; C598-C601 VanDerWaalsContact SG-SG 3.66Å; C598-S602 PolarHBondContact O-N 3.45Å; C598-S602 PolarHBondContact O-OG 3.12Å
599H89.8Confident87.7Confident104 Ų10448.7 Ų48.748%0.48125%0.246SC..SBendtrans-58.4-49.3-177.7-17399.2000112.8S602 S603 R616H599-S602 CarbonylContact O-C 3.41Å; H599-S602 PolarHBondContact O-N 2.99Å; H599-S603 VanDerWaalsContact O-CA 3.3Å; H599-S603 WeakPolarHBondContact O-CA 3.22Å; H599-S603 WeakPolarHBondContact O-CB 3.43Å; H599-S603 PolarHBondContact O-N 2.82Å; H599-R616 PolarHBondContact O-NH1 3.5Å
600E91.3Very high86.8Confident102 Ų10252.2 Ų52.248%0.47727%0.273SS..G310 helixtrans-62.1-55-172.3-57.871.1-149.600110.2R585 C598 S602 S603R585-E600 IonicContact CZ-OE2 3.76Å; R585-E600 IonicContact NH1-OE2 2.69Å; R585-E600 PolarHBondContact NH1-OE2 3.24Å; R585-E600 IonicContact NH2-OE2 3.99Å; C598-E600 PolarHBondContact O-N 2.83Å; C598-E600 PolarHBondContact SG-OE2 2.91Å; E600-S602 PolarHBondContact O-N 3.28Å; E600-S603 WeakPolarHBondContact O-CB 3.42Å; E600-S603 PolarHBondContact O-N 3.42Å; E600-S603 PolarHBondContact O-OG 3.11Å
601C92.4Very high85.9Confident13 Ų1353.7 Ų53.79%0.08828%0.284CS..G310 helixtrans-67.21.7-179.5-60.80000115.8L576 C577 F597 C598 C618 D619L576-C601 HydrophobicContact CB-CB 3.86Å; L576-C601 HydrophobicContact CD2-CB 3.75Å; L576-C601 HydrophobicContact CG-CB 4.34Å; C577-C601 VanDerWaalsContact CB-SG 3.58Å; F597-C601 HydrophobicContact CB-CB 4.37Å; F597-C601 HydrophobicContact CD1-CB 4.3Å; C598-C601 VanDerWaalsContact SG-SG 3.66Å; C601-C618 VanDerWaalsContact O-CA 3.28Å; C601-C618 WeakPolarHBondContact O-CA 3.2Å; C601-C618 WeakPolarHBondContact O-CB 3.33Å; C601-D619 WeakPolarHBondContact CA-OD2 3.5Å; C601-D619 PolarHBondContact O-N 3.45Å
602S90.8Very high85.3Confident0 Ų053.9 Ų53.90%031%0.308CS..G310 helixtrans-147.725177.967.30000112.6C598 H599 E600 R604 R616 V617C598-S602 PolarHBondContact O-N 3.45Å; C598-S602 PolarHBondContact O-OG 3.12Å; H599-S602 CarbonylContact O-C 3.41Å; H599-S602 PolarHBondContact O-N 2.99Å; E600-S602 PolarHBondContact O-N 3.28Å; S602-R604 PolarHBondContact O-N 3.16Å; S602-R604 VanDerWaalsContact O-N 3.12Å; S602-R616 VanDerWaalsContact C-NH1 3.3Å; S602-R616 WeakPolarHBondContact O-CD 3.12Å; S602-R616 WeakPolarHBondContact O-CG 3.34Å; S602-R616 PolarHBondContact O-NH1 2.9Å; S602-R616 WeakPolarHBondContact OG-CD 3.29Å; S602-R616 PolarHBondContact OG-NH1 3.12Å; S602-V617 CarbonylContact C-O 3.51Å; S602-V617 WeakPolarHBondContact CA-O 3.4Å
603S89.1Confident85.2Confident64 Ų6460.2 Ų60.245%0.44833%0.333SS..  trans-62.1-20.4-174.549.40000113.5H599 E600H599-S603 VanDerWaalsContact O-CA 3.3Å; H599-S603 WeakPolarHBondContact O-CA 3.22Å; H599-S603 WeakPolarHBondContact O-CB 3.43Å; H599-S603 PolarHBondContact O-N 2.82Å; E600-S603 WeakPolarHBondContact O-CB 3.42Å; E600-S603 PolarHBondContact O-N 3.42Å; E600-S603 PolarHBondContact O-OG 3.11Å
604R90.2Very high85Confident120 Ų12062.6 Ų62.645%0.45335%0.349SS..EExtended strand (participates in β ladder)trans-87.9154.3-171.3-49.5-172.7-161.4-119.5-2112.9S602 R616 V617 D619 H622S602-R604 PolarHBondContact O-N 3.16Å; S602-R604 VanDerWaalsContact O-N 3.12Å; R604-R616 WeakPolarHBondContact O-CA 3.48Å; R604-V617 HydrophobicContact CB-CG2 4.45Å; R604-V617 PolarHBondContact O-N 3.05Å; R604-D619 IonicContact CZ-OD1 3.26Å; R604-D619 VanDerWaalsContact CZ-OD1 3.26Å; R604-D619 IonicContact NE-OD1 2.71Å; R604-D619 PolarHBondContact NE-OD1 3Å; R604-D619 IonicContact NH2-OD1 2.91Å; R604-D619 PolarHBondContact NH2-OD1 3.32Å; R604-H622 HydrophobicContact CB-CB 4.44Å; R604-H622 WeakPolarHBondContact CD-CD2 3.3Å
605K89.2Confident85.2Confident149 Ų14964 Ų6465%0.64836%0.356SS*.EExtended strand (participates in β ladder)trans-123.8147.6174-64.9-179.8-176.9175.50110.5P614 V615K605-P614 HydrophobicContact CB-CB 4.02Å; K605-V615 CarbonylContact C-O 3.57Å; K605-V615 WeakPolarHBondContact CA-O 3.5Å
606M84.2Confident85.3Confident22 Ų2264.2 Ų64.211%0.10835%0.354CS..EExtended strand (participates in β ladder)trans-148.7150.8176.2-154.7151-16000110.9P614 V615 V617 L625 L626 Y629M606-P614 CarbonylContact O-C 3.53Å; M606-P614 WeakPolarHBondContact O-CA 3.46Å; M606-V615 PolarHBondContact N-O 2.86Å; M606-V615 WeakPolarHBondContact O-CG2 3.08Å; M606-V615 PolarHBondContact O-N 3.46Å; M606-V617 HydrophobicContact CB-CG2 4.04Å; M606-L625 HydrophobicContact CE-CB 4.26Å; M606-L625 HydrophobicContact SD-CB 3.54Å; M606-L625 VanDerWaalsContact SD-CB 3.54Å; M606-L625 HydrophobicContact SD-CD1 4.16Å; M606-L626 HydrophobicContact CE-CB 4.22Å; M606-L626 HydrophobicContact CE-CD1 4Å; M606-Y629 HydrophobicContact CE-CD2 3.72Å; M606-Y629 HydrophobicContact CE-CE2 4.1Å
607T82.7Confident85.3Confident55 Ų5564.2 Ų64.234%0.33735%0.354SS..EExtended strand (participates in β ladder)trans-69.7136166.541.50000109.4P614 Y629T607-P614 HydrophobicContact CG2-CG 4.16Å; T607-Y629 PolarHBondContact O-OH 3.42Å; T607-Y629 PolarHBondContact OG1-OH 2.91Å
608L81.1Confident85.3Confident11 Ų1164.2 Ų64.26%0.05836%0.355CS..EExtended strand (participates in β ladder)trans-123.8156.4178.3-60.5-176.8000109.4R591 N592 S610 S611 V615 V617 L625R591-L608 HydrophobicContact CB-CD1 3.86Å; R591-L608 VanDerWaalsContact O-CD1 3.23Å; R591-L608 WeakPolarHBondContact O-CD1 3.29Å; N592-L608 HydrophobicContact CB-CD1 4.03Å; N592-L608 HydrophobicContact CB-CD2 4.24Å; L608-S610 PolarHBondContact O-N 2.8Å; L608-S611 PolarHBondContact N-O 2.91Å; L608-S611 CarbonylContact O-C 3.59Å; L608-S611 PolarHBondContact O-N 3.12Å; L608-V615 HydrophobicContact CB-CG2 4.32Å; L608-V615 HydrophobicContact CD1-CG2 3.51Å; L608-V615 HydrophobicContact CG-CG2 3.66Å; L608-V617 HydrophobicContact CD1-CG1 4.34Å; L608-V617 HydrophobicContact CD2-CG1 4.29Å; L608-L625 HydrophobicContact CD2-CD1 3.38Å; L608-L625 HydrophobicContact CD2-CD2 4.16Å; L608-L625 HydrophobicContact CD2-CG 4.42Å
609P73.4Confident85.1Confident140 Ų14066.3 Ų66.391%0.90937%0.365SS*.THydrogen-bonded Turntrans-54-27.3172.1-26.435.6000113.7
610S70.6Confident85Confident100 Ų10065 Ų6570%0.69937%0.365SS*.THydrogen-bonded Turntrans-85-4.6176.854.50000115.2L608L608-S610 PolarHBondContact O-N 2.8Å
611S71.5Confident84.8Confident31 Ų3160.5 Ų60.522%0.21735%0.345CS..EExtended strand (participates in β ladder)trans-156.8116.3-179.3172.70000113.2L608 K613 V615L608-S611 PolarHBondContact N-O 2.91Å; L608-S611 CarbonylContact O-C 3.59Å; L608-S611 PolarHBondContact O-N 3.12Å; S611-K613 PolarHBondContact O-N 3.09Å; S611-K613 VanDerWaalsContact O-N 3.14Å; S611-K613 PolarHBondContact OG-N 2.79Å; S611-K613 PolarHBondContact OG-O 3.17Å; S611-V615 WeakPolarHBondContact OG-CG1 3.49Å
612A73.5Confident84.7Confident108 Ų10861.7 Ų61.789%0.89335%0.349SS*.EExtended strand (participates in β ladder)trans-63.4-13.2171.500000114.3
613K80.8Confident84.4Confident165 Ų16563.6 Ų63.672%0.71737%0.369SS*.EExtended strand (participates in β ladder)trans-102.1142.5174-66.5-179.7-178.9176.40110.4S611 V615S611-K613 PolarHBondContact O-N 3.09Å; S611-K613 VanDerWaalsContact O-N 3.14Å; S611-K613 PolarHBondContact OG-N 2.79Å; S611-K613 PolarHBondContact OG-O 3.17Å; K613-V615 PolarHBondContact O-N 2.93Å
614P82.3Confident84.1Confident78 Ų7864.8 Ų64.851%0.50637%0.369SS..EExtended strand (participates in β ladder)trans-60.1117.1176.2-24.233.5000112.7K605 M606 T607K605-P614 HydrophobicContact CB-CB 4.02Å; M606-P614 CarbonylContact O-C 3.53Å; M606-P614 WeakPolarHBondContact O-CA 3.46Å; T607-P614 HydrophobicContact CG2-CG 4.16Å
615V90Very high83.6Confident30 Ų3059.7 Ų59.718%0.18235%0.351CS..EExtended strand (participates in β ladder)trans-110.5155.8-176.4-76.50000112.1R591 K605 M606 L608 S611 K613 V617R591-V615 HydrophobicContact CB-CB 3.93Å; R591-V615 HydrophobicContact CB-CG2 3.75Å; R591-V615 HydrophobicContact CG-CB 3.92Å; R591-V615 HydrophobicContact CG-CG1 4.38Å; R591-V615 HydrophobicContact CG-CG2 4.27Å; K605-V615 CarbonylContact C-O 3.57Å; K605-V615 WeakPolarHBondContact CA-O 3.5Å; M606-V615 PolarHBondContact N-O 2.86Å; M606-V615 WeakPolarHBondContact O-CG2 3.08Å; M606-V615 PolarHBondContact O-N 3.46Å; L608-V615 HydrophobicContact CB-CG2 4.32Å; L608-V615 HydrophobicContact CD1-CG2 3.51Å; L608-V615 HydrophobicContact CG-CG2 3.66Å; S611-V615 WeakPolarHBondContact OG-CG1 3.49Å; K613-V615 PolarHBondContact O-N 2.93Å; V615-V617 PolarHBondContact O-N 3.3Å
616R91.2Very high83.3Confident54 Ų5456.3 Ų56.320%0.20434%0.34CS..EExtended strand (participates in β ladder)trans-63.8129.1-177.3-171.6-174.2-85-93.52.1111.6H588 R591 H599 S602 R604H588-R616 PolarHBondContact CD2-NH1 3.2Å; H588-R616 VanDerWaalsContact CD2-NH1 3.3Å; R591-R616 WeakPolarHBondContact CD-O 3.15Å; R591-R616 PolarHBondContact N-O 2.76Å; H599-R616 PolarHBondContact O-NH1 3.5Å; S602-R616 VanDerWaalsContact C-NH1 3.3Å; S602-R616 WeakPolarHBondContact O-CD 3.12Å; S602-R616 WeakPolarHBondContact O-CG 3.34Å; S602-R616 PolarHBondContact O-NH1 2.9Å; S602-R616 WeakPolarHBondContact OG-CD 3.29Å; S602-R616 PolarHBondContact OG-NH1 3.12Å; R604-R616 WeakPolarHBondContact O-CA 3.48Å
617V90.6Very high83Confident0 Ų062.2 Ų62.20%037%0.367CS..EExtended strand (participates in β ladder)trans-128.8150.6174.3-71.10000110.5N592 S602 R604 M606 L608 V615 C621 H622 L625N592-V617 HydrophobicContact CB-CG1 3.95Å; S602-V617 CarbonylContact C-O 3.51Å; S602-V617 WeakPolarHBondContact CA-O 3.4Å; R604-V617 HydrophobicContact CB-CG2 4.45Å; R604-V617 PolarHBondContact O-N 3.05Å; M606-V617 HydrophobicContact CB-CG2 4.04Å; L608-V617 HydrophobicContact CD1-CG1 4.34Å; L608-V617 HydrophobicContact CD2-CG1 4.29Å; V615-V617 PolarHBondContact O-N 3.3Å; V617-C621 HydrophobicContact CB-CB 4.2Å; V617-H622 HydrophobicContact CG2-CB 3.89Å; V617-L625 HydrophobicContact CG1-CD1 4.2Å
618C92.9Very high82.4Confident3 Ų365.9 Ų65.92%0.0237%0.374CS..  trans-71.8159.1169.566.50000111.2C590 F597 C601 T620 C621 H622C590-C618 HydrophobicContact CB-CB 4.23Å; C590-C618 PolarHBondContact SG-N 3.44Å; F597-C618 HydrophobicContact CD1-CB 3.71Å; F597-C618 HydrophobicContact CD2-CB 3.84Å; F597-C618 HydrophobicContact CE1-CB 3.5Å; F597-C618 HydrophobicContact CE2-CB 3.65Å; F597-C618 HydrophobicContact CG-CB 3.89Å; F597-C618 HydrophobicContact CZ-CB 3.49Å; F597-C618 VanDerWaalsContact CZ-CB 3.49Å; F597-C618 VanDerWaalsContact CZ-SG 3.58Å; C601-C618 VanDerWaalsContact O-CA 3.28Å; C601-C618 WeakPolarHBondContact O-CA 3.2Å; C601-C618 WeakPolarHBondContact O-CB 3.33Å; C618-T620 VanDerWaalsContact C-N 3.26Å; C618-T620 PolarHBondContact O-N 3.23Å; C618-C621 PolarHBondContact O-N 2.82Å; C618-C621 VanDerWaalsContact O-N 3.11Å; C618-H622 PolarHBondContact O-N 2.69Å
619D88.8Confident82Confident43 Ų4370.9 Ų70.923%0.2339%0.393CS..Hα-helixtrans-53.9-41.7-179.1-67.7-81.5000112.7L576 C601 R604 H622 G623L576-D619 HydrophobicContact CD2-CB 4.24Å; C601-D619 WeakPolarHBondContact CA-OD2 3.5Å; C601-D619 PolarHBondContact O-N 3.45Å; R604-D619 IonicContact CZ-OD1 3.26Å; R604-D619 VanDerWaalsContact CZ-OD1 3.26Å; R604-D619 IonicContact NE-OD1 2.71Å; R604-D619 PolarHBondContact NE-OD1 3Å; R604-D619 IonicContact NH2-OD1 2.91Å; R604-D619 PolarHBondContact NH2-OD1 3.32Å; D619-H622 PolarHBondContact O-N 3.34Å; D619-G623 PolarHBondContact O-N 2.93Å
620T87.7Confident82.1Confident77 Ų7770.2 Ų70.247%0.47238%0.382SS..Hα-helixtrans-60.1-47.5176.9-40.30000112.2C618 G623 L624C618-T620 VanDerWaalsContact C-N 3.26Å; C618-T620 PolarHBondContact O-N 3.23Å; T620-G623 PolarHBondContact O-N 3.1Å; T620-L624 HydrophobicContact CG2-CD1 4.42Å; T620-L624 WeakPolarHBondContact O-CG 3.49Å; T620-L624 PolarHBondContact O-N 3.47Å; T620-L624 VanDerWaalsContact O-N 3.16Å
621C88.6Confident81.5Confident7 Ų769.1 Ų69.15%0.04738%0.379CS..Hα-helixtrans-67-38.1177.3-74.90000111.7C590 N592 V617 C618 L624 L625C590-C621 VanDerWaalsContact SG-SG 3.65Å; N592-C621 HydrophobicContact CB-CB 3.97Å; N592-C621 PolarHBondContact ND2-SG 3.27Å; V617-C621 HydrophobicContact CB-CB 4.2Å; C618-C621 PolarHBondContact O-N 2.82Å; C618-C621 VanDerWaalsContact O-N 3.11Å; C621-L624 PolarHBondContact O-N 2.91Å; C621-L625 VanDerWaalsContact O-CB 3.28Å; C621-L625 WeakPolarHBondContact O-CB 3.46Å; C621-L625 WeakPolarHBondContact O-CD1 3.45Å; C621-L625 WeakPolarHBondContact O-CG 3.48Å; C621-L625 PolarHBondContact O-N 2.71Å
622H88.9Confident80.5Confident39 Ų3979.7 Ų79.718%0.18142%0.421CS..Hα-helixtrans-61.2-44.4176.9-176.870000112R604 V617 C618 D619 L625 L626R604-H622 HydrophobicContact CB-CB 4.44Å; R604-H622 WeakPolarHBondContact CD-CD2 3.3Å; V617-H622 HydrophobicContact CG2-CB 3.89Å; C618-H622 PolarHBondContact O-N 2.69Å; D619-H622 PolarHBondContact O-N 3.34Å; H622-L625 PolarHBondContact O-N 3.28Å; H622-L626 VanDerWaalsContact O-CB 3.29Å; H622-L626 WeakPolarHBondContact O-CB 3.33Å; H622-L626 PolarHBondContact O-N 3.47Å
623G84.6Confident80.8Confident40 Ų4078.3 Ų78.341%0.41240%0.397SS..Hα-helixtrans-61.3-48.7175.700000113D619 T620 L625 L626 H627D619-G623 PolarHBondContact O-N 2.93Å; T620-G623 PolarHBondContact O-N 3.1Å; G623-L625 PolarHBondContact O-N 3.46Å; G623-L626 PolarHBondContact O-N 3.39Å; G623-H627 PolarHBondContact O-N 2.84Å; G623-H627 VanDerWaalsContact O-N 3.12Å
624L82.8Confident80.8Confident88 Ų8873.7 Ų73.746%0.46138%0.381SS..Hα-helixtrans-62.9-38.9178.7-68.7170.8000112.8F560 T620 C621 R628F560-L624 HydrophobicContact CZ-CD1 4.29Å; T620-L624 HydrophobicContact CG2-CD1 4.42Å; T620-L624 WeakPolarHBondContact O-CG 3.49Å; T620-L624 PolarHBondContact O-N 3.47Å; T620-L624 VanDerWaalsContact O-N 3.16Å; C621-L624 PolarHBondContact O-N 2.91Å; L624-R628 PolarHBondContact O-N 3.25Å
625L81.5Confident80.7Confident13 Ų1373.5 Ų73.57%0.06837%0.374CS..Hα-helixtrans-70.9-41.6177.2-72.6166.1000112.1N592 M606 L608 V617 C621 H622 G623 H627 R628 Y629N592-L625 HydrophobicContact CB-CD1 4.21Å; M606-L625 HydrophobicContact CE-CB 4.26Å; M606-L625 HydrophobicContact SD-CB 3.54Å; M606-L625 VanDerWaalsContact SD-CB 3.54Å; M606-L625 HydrophobicContact SD-CD1 4.16Å; L608-L625 HydrophobicContact CD2-CD1 3.38Å; L608-L625 HydrophobicContact CD2-CD2 4.16Å; L608-L625 HydrophobicContact CD2-CG 4.42Å; V617-L625 HydrophobicContact CG1-CD1 4.2Å; C621-L625 VanDerWaalsContact O-CB 3.28Å; C621-L625 WeakPolarHBondContact O-CB 3.46Å; C621-L625 WeakPolarHBondContact O-CD1 3.45Å; C621-L625 WeakPolarHBondContact O-CG 3.48Å; C621-L625 PolarHBondContact O-N 2.71Å; H622-L625 PolarHBondContact O-N 3.28Å; G623-L625 PolarHBondContact O-N 3.46Å; L625-H627 VanDerWaalsContact C-N 3.29Å; L625-H627 PolarHBondContact O-N 3.12Å; L625-R628 PolarHBondContact O-N 2.93Å; L625-R628 VanDerWaalsContact O-N 3.08Å; L625-Y629 WeakPolarHBondContact O-CD2 3.47Å; L625-Y629 PolarHBondContact O-N 3.18Å
626L81.9Confident80.2Confident78 Ų7876.1 Ų76.141%0.40839%0.385SS..Hα-helixtrans-60.5-40.6177.3-169.668.3000111.4M606 H622 G623 R628 Y629 N630M606-L626 HydrophobicContact CE-CB 4.22Å; M606-L626 HydrophobicContact CE-CD1 4Å; H622-L626 VanDerWaalsContact O-CB 3.29Å; H622-L626 WeakPolarHBondContact O-CB 3.33Å; H622-L626 PolarHBondContact O-N 3.47Å; G623-L626 PolarHBondContact O-N 3.39Å; L626-R628 VanDerWaalsContact C-N 3.31Å; L626-R628 PolarHBondContact O-N 3Å; L626-Y629 PolarHBondContact O-N 2.95Å; L626-N630 PolarHBondContact O-N 2.69Å
627H77.1Confident79.5Confident147 Ų14777.4 Ų77.468%0.68140%0.396SS*.Hα-helixtrans-65.2-32.3174.7-161.2-41.9000112.9G623 L625G623-H627 PolarHBondContact O-N 2.84Å; G623-H627 VanDerWaalsContact O-N 3.12Å; L625-H627 VanDerWaalsContact C-N 3.29Å; L625-H627 PolarHBondContact O-N 3.12Å
628R70.1Confident78.8Confident132 Ų13282.6 Ų82.650%0.49842%0.423SS..Hα-helixtrans-75.6-30.2174.7-75.6176.6170166.5-2.8113.4F560 L624 L625 L626F560-R628 VanDerWaalsContact CE2-NH1 3.33Å; L624-R628 PolarHBondContact O-N 3.25Å; L625-R628 PolarHBondContact O-N 2.93Å; L625-R628 VanDerWaalsContact O-N 3.08Å; L626-R628 VanDerWaalsContact C-N 3.31Å; L626-R628 PolarHBondContact O-N 3Å
629Y74.4Confident77.8Confident116 Ų11688.3 Ų88.346%0.45545%0.451SS..Hα-helixtrans-71.9-29.9174.8-93.7-79.5000113M606 T607 L625 L626 A631M606-Y629 HydrophobicContact CE-CD2 3.72Å; M606-Y629 HydrophobicContact CE-CE2 4.1Å; T607-Y629 PolarHBondContact O-OH 3.42Å; T607-Y629 PolarHBondContact OG1-OH 2.91Å; L625-Y629 WeakPolarHBondContact O-CD2 3.47Å; L625-Y629 PolarHBondContact O-N 3.18Å; L626-Y629 PolarHBondContact O-N 2.95Å; Y629-A631 VanDerWaalsContact C-N 3.34Å
630N74.6Confident76.9Confident126 Ų12691.8 Ų91.867%0.67447%0.468SS*.THydrogen-bonded Turntrans-89.87178.9-62.8-6.4000113.7L626L626-N630 PolarHBondContact O-N 2.69Å
631A58.6Low76Confident76 Ų7693 Ų9363%0.62847%0.468SS*.  trans-112.730-179.800000112.1Y629Y629-A631 VanDerWaalsContact C-N 3.34Å
632K49.4Very low74.9Confident254 Ų254100.8 Ų100.8100%1.10451%0.506SS*.  trans-135.40170.7-77.5-168.4172.3-168.60108.8

Retrieved 632 of 632 residues in 272.8 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).