A0A077ZG81_TRITR Loading...

Queuosine 5'-phosphate N-glycosylase/hydrolase

Catalyzes the hydrolysis of queuosine 5'-phosphate, releasing the nucleobase queuine (q). Is required for salvage of queuine from exogenous queuosine (Q) that is imported and then converted to queuosine 5'-phosphate intracellularly.

AlphaFold DB , UniProt , Accession A0A077ZG81, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 325 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M37.1Very low79Confident245 Ų24582.1 Ų82.1100%1.20745%0.452SS*.  0117.90-95.7170.5167.400107.3
2Q50.1Low80.5Confident156 Ų15682.3 Ų82.373%0.72947%0.473SS*.PPolyproline II helixtrans-64.4137.8165-79.5170.5-24.800107.4
3S56Low81.8Confident93 Ų9380.9 Ų80.965%0.6546%0.463SS*.PPolyproline II helixtrans-54.8142.5167.4179.30000107.9F5S3-F5 PolarHBondContact O-N 3.39Å
4P71.5Confident82.9Confident98 Ų9884.9 Ų84.964%0.63648%0.482SS*.PPolyproline II helixtrans-52.2141.2170.823.1-33.3000109.3V6P4-V6 HydrophobicContact CB-CG2 4.36Å; P4-V6 HydrophobicContact CG-CG2 4.29Å; P4-V6 PolarHBondContact O-N 2.73Å
5F81.5Confident83.9Confident37 Ų3780.2 Ų80.216%0.16246%0.455CS..  trans-62.9111.1172.6-176.6-87.2000109.1S3 C7 A194 L197 D247 Q250 L251S3-F5 PolarHBondContact O-N 3.39Å; F5-C7 HydrophobicContact CE1-CB 3.8Å; F5-C7 HydrophobicContact CZ-CB 4.24Å; F5-A194 HydrophobicContact CD1-CB 4.42Å; F5-A194 HydrophobicContact CD2-CB 3.59Å; F5-A194 HydrophobicContact CE1-CB 4.36Å; F5-A194 HydrophobicContact CE2-CB 3.48Å; F5-A194 VanDerWaalsContact CE2-CB 3.48Å; F5-A194 HydrophobicContact CG-CB 4.08Å; F5-A194 HydrophobicContact CZ-CB 3.89Å; F5-L197 HydrophobicContact CE1-CD2 4.44Å; F5-L197 HydrophobicContact CZ-CD2 3.84Å; F5-D247 WeakPolarHBondContact CB-OD2 3.25Å; F5-D247 HydrophobicContact CD2-CB 3.69Å; F5-D247 HydrophobicContact CE2-CB 4.35Å; F5-Q250 HydrophobicContact CB-CB 3.9Å; F5-Q250 HydrophobicContact CB-CG 3.73Å; F5-Q250 HydrophobicContact CD1-CB 4.14Å; F5-Q250 HydrophobicContact CD1-CG 3.22Å; F5-Q250 HydrophobicContact CD2-CB 3.76Å; F5-Q250 HydrophobicContact CD2-CG 3.76Å; F5-Q250 HydrophobicContact CE1-CG 3.61Å; F5-Q250 HydrophobicContact CE2-CB 4.26Å; F5-Q250 HydrophobicContact CE2-CG 4.11Å; F5-Q250 HydrophobicContact CG-CB 3.68Å; F5-Q250 HydrophobicContact CG-CG 3.29Å; F5-Q250 HydrophobicContact CZ-CG 4.04Å; F5-L251 HydrophobicContact CE2-CD1 4.23Å; F5-L251 HydrophobicContact CE2-CD2 3.77Å; F5-L251 HydrophobicContact CE2-CG 3.93Å; F5-L251 HydrophobicContact CZ-CD2 3.65Å; F5-L251 HydrophobicContact CZ-CG 4.34Å
6V89.5Confident84.7Confident63 Ų6377.8 Ų77.838%0.38244%0.439SS..  trans-126.9106.7176.9-1790000107.6P4 A194 Q195P4-V6 HydrophobicContact CB-CG2 4.36Å; P4-V6 HydrophobicContact CG-CG2 4.29Å; P4-V6 PolarHBondContact O-N 2.73Å; V6-A194 WeakPolarHBondContact O-CB 3.49Å; V6-Q195 PolarHBondContact O-NE2 2.69Å
7C95.9Very high85.3Confident3 Ų376 Ų762%0.0243%0.428CS..  trans-94.4102.5171.4-176.40000108.7F5 Y9 L10 C11 L197 S198F5-C7 HydrophobicContact CE1-CB 3.8Å; F5-C7 HydrophobicContact CZ-CB 4.24Å; C7-Y9 PolarHBondContact O-N 3.34Å; C7-Y9 VanDerWaalsContact O-N 3.13Å; C7-L10 HydrophobicContact CB-CB 4.24Å; C7-L10 HydrophobicContact CB-CD1 3.92Å; C7-L10 HydrophobicContact CB-CG 4.03Å; C7-L10 PolarHBondContact O-N 2.78Å; C7-C11 PolarHBondContact O-N 3.48Å; C7-C11 VanDerWaalsContact O-N 3.13Å; C7-L197 HydrophobicContact CB-CD2 4.35Å; C7-S198 PolarHBondContact SG-N 3.12Å
8D96.4Very high85.8Confident79 Ų7971.8 Ų71.842%0.42240%0.404SS..Hα-helixtrans-53.4-39.1-173.5-59.1-11.5000113L10 C11 A12 Q195D8-L10 PolarHBondContact O-N 2.62Å; D8-C11 PolarHBondContact O-N 3.34Å; D8-A12 WeakPolarHBondContact O-CB 3.37Å; D8-A12 PolarHBondContact O-N 2.87Å; D8-Q195 PolarHBondContact OD2-OE1 3.48Å
9Y97.7Very high86.2Confident37 Ų3769.4 Ų69.415%0.14539%0.39CS..Hα-helixtrans-60.3-43.2176.8-174.5-80.8000112.4C7 N13 I15 S198 L201 E202 F210C7-Y9 PolarHBondContact O-N 3.34Å; C7-Y9 VanDerWaalsContact O-N 3.13Å; Y9-N13 WeakPolarHBondContact O-CB 3.22Å; Y9-N13 PolarHBondContact O-N 3.33Å; Y9-N13 PolarHBondContact O-ND2 3.47Å; Y9-I15 HydrophobicContact CE1-CD1 4.15Å; Y9-S198 PolarHBondContact N-OG 2.93Å; Y9-L201 HydrophobicContact CD1-CB 3.5Å; Y9-L201 HydrophobicContact CD1-CD1 3.61Å; Y9-L201 HydrophobicContact CD1-CG 4.19Å; Y9-L201 HydrophobicContact CD2-CB 3.94Å; Y9-L201 HydrophobicContact CE1-CB 3.81Å; Y9-L201 HydrophobicContact CE1-CD1 4.28Å; Y9-L201 HydrophobicContact CE2-CB 4.19Å; Y9-L201 HydrophobicContact CG-CB 3.58Å; Y9-L201 HydrophobicContact CG-CD1 4.18Å; Y9-E202 HydrophobicContact CD2-CB 4.07Å; Y9-E202 HydrophobicContact CE2-CB 4.39Å; Y9-F210 HydrophobicContact CE1-CE1 4.26Å
10L97.3Very high86.7Confident5 Ų567.5 Ų67.53%0.02638%0.384CS..Hα-helixtrans-67.9-47-179.7-64.6-179.5000110.6C7 D8 A12 N13 D14 I15 D17 L197 L201 L221C7-L10 HydrophobicContact CB-CB 4.24Å; C7-L10 HydrophobicContact CB-CD1 3.92Å; C7-L10 HydrophobicContact CB-CG 4.03Å; C7-L10 PolarHBondContact O-N 2.78Å; D8-L10 PolarHBondContact O-N 2.62Å; L10-A12 PolarHBondContact O-N 3.14Å; L10-N13 PolarHBondContact O-N 3.16Å; L10-D14 PolarHBondContact O-N 2.75Å; L10-I15 HydrophobicContact CB-CB 4.48Å; L10-I15 HydrophobicContact CD2-CB 3.86Å; L10-I15 HydrophobicContact CD2-CD1 4.34Å; L10-I15 HydrophobicContact CD2-CG2 3.76Å; L10-I15 PolarHBondContact O-N 2.99Å; L10-D17 HydrophobicContact CD1-CB 4.34Å; L10-L197 HydrophobicContact CD1-CD2 4.39Å; L10-L201 HydrophobicContact CD2-CD1 3.65Å; L10-L201 HydrophobicContact CG-CD1 4.02Å; L10-L221 HydrophobicContact CD1-CD1 4.1Å; L10-L221 HydrophobicContact CD2-CD1 4.18Å
11C96Very high87.2Confident87 Ų8764.3 Ų64.359%0.58837%0.365SS*.Hα-helixtrans-59.5-47.3177.6-62.40000111.9C7 D8 N13 D14C7-C11 PolarHBondContact O-N 3.48Å; C7-C11 VanDerWaalsContact O-N 3.13Å; D8-C11 PolarHBondContact O-N 3.34Å; C11-N13 PolarHBondContact O-N 2.76Å; C11-D14 PolarHBondContact O-N 3.35Å
12A97.5Very high90Very high85 Ų8552.6 Ų52.670%0.70231%0.308SS*.Hα-helixtrans-66.1-19.7-178.300000113.8D8 L10D8-A12 WeakPolarHBondContact O-CB 3.37Å; D8-A12 PolarHBondContact O-N 2.87Å; L10-A12 PolarHBondContact O-N 3.14Å
13N97.6Very high92.2Very high64 Ų6447.3 Ų47.334%0.34229%0.291SS..THydrogen-bonded Turntrans-110.46.8-176.4-72.6-87.3000113.9Y9 L10 C11 I15 K217Y9-N13 WeakPolarHBondContact O-CB 3.22Å; Y9-N13 PolarHBondContact O-N 3.33Å; Y9-N13 PolarHBondContact O-ND2 3.47Å; L10-N13 PolarHBondContact O-N 3.16Å; C11-N13 PolarHBondContact O-N 2.76Å; N13-I15 VanDerWaalsContact C-N 3.32Å; N13-I15 HydrophobicContact CB-CD1 3.72Å; N13-I15 HydrophobicContact CB-CG1 3.83Å; N13-I15 PolarHBondContact O-N 2.84Å; N13-K217 PolarHBondContact O-NZ 3.16Å
14D97.2Very high94.2Very high137 Ų13743.5 Ų43.573%0.73326%0.262SS*.THydrogen-bonded Turntrans52.250.2-175.5-169.939000111.6L10 C11L10-D14 PolarHBondContact O-N 2.75Å; C11-D14 PolarHBondContact O-N 3.35Å
15I97.6Very high95.4Very high14 Ų1438.8 Ų38.87%0.07223%0.232CC..  trans-109.7124.2178.1-54.8174.5000107.9Y9 L10 N13 D17 F210 K217Y9-I15 HydrophobicContact CE1-CD1 4.15Å; L10-I15 HydrophobicContact CB-CB 4.48Å; L10-I15 HydrophobicContact CD2-CB 3.86Å; L10-I15 HydrophobicContact CD2-CD1 4.34Å; L10-I15 HydrophobicContact CD2-CG2 3.76Å; L10-I15 PolarHBondContact O-N 2.99Å; N13-I15 VanDerWaalsContact C-N 3.32Å; N13-I15 HydrophobicContact CB-CD1 3.72Å; N13-I15 HydrophobicContact CB-CG1 3.83Å; N13-I15 PolarHBondContact O-N 2.84Å; I15-D17 PolarHBondContact O-N 3.44Å; I15-F210 HydrophobicContact CD1-CD1 3.84Å; I15-F210 HydrophobicContact CD1-CE1 4Å; I15-F210 HydrophobicContact CD1-CG 4.15Å; I15-F210 HydrophobicContact CD1-CZ 4.48Å; I15-F210 HydrophobicContact CG2-CB 4.1Å; I15-K217 HydrophobicContact CB-CB 4.48Å; I15-K217 HydrophobicContact CG1-CB 4.23Å; I15-K217 HydrophobicContact CG1-CD 3.91Å; I15-K217 HydrophobicContact CG2-CB 4.45Å
16M96.6Very high96.2Very high41 Ų4138.3 Ų38.320%0.20224%0.235CC..  trans-62.1136175.1-63.5-175.269.800109.9A20 S21 F24 R216 K217 V218 S219M16-A20 HydrophobicContact CB-CB 4.43Å; M16-A20 HydrophobicContact CE-CB 3.71Å; M16-A20 WeakPolarHBondContact CE-O 3.45Å; M16-S21 WeakPolarHBondContact CB-OG 3.26Å; M16-S21 PolarHBondContact O-OG 3.17Å; M16-S21 VanDerWaalsContact O-OG 3.13Å; M16-F24 HydrophobicContact CE-CB 3.75Å; M16-F24 HydrophobicContact CE-CG 4.23Å; M16-F24 HydrophobicContact SD-CB 4.25Å; M16-F24 HydrophobicContact SD-CD1 4.21Å; M16-F24 HydrophobicContact SD-CG 4.19Å; M16-R216 HydrophobicContact SD-CB 4.33Å; M16-K217 WeakPolarHBondContact CB-O 3.3Å; M16-K217 PolarHBondContact N-O 3.1Å; M16-V218 HydrophobicContact SD-CG1 4.43Å; M16-S219 WeakPolarHBondContact O-CB 3.5Å; M16-S219 PolarHBondContact O-OG 3.26Å
17D94.4Very high96.5Very high48 Ų4842.5 Ų42.526%0.25725%0.25SS..  trans-61.5163.417267.574.9000110.9L10 I15 I19 A20 S21 Q250L10-D17 HydrophobicContact CD1-CB 4.34Å; I15-D17 PolarHBondContact O-N 3.44Å; D17-I19 VanDerWaalsContact C-N 3.28Å; D17-I19 PolarHBondContact O-N 3.17Å; D17-I19 PolarHBondContact OD1-N 2.79Å; D17-A20 PolarHBondContact O-N 3.06Å; D17-A20 WeakPolarHBondContact OD1-CB 3.43Å; D17-A20 PolarHBondContact OD1-N 3.47Å; D17-A20 VanDerWaalsContact OD2-CB 3.31Å; D17-A20 WeakPolarHBondContact OD2-CB 3.44Å; D17-S21 VanDerWaalsContact O-CB 3.25Å; D17-S21 WeakPolarHBondContact O-CB 3.47Å; D17-S21 PolarHBondContact O-N 3.24Å; D17-S21 PolarHBondContact O-OG 3.03Å; D17-Q250 PolarHBondContact OD1-NE2 2.62Å
18P94.6Very high96.6Very high0 Ų046.1 Ų46.10%027%0.267CS..Hα-helixtrans-61.3-32.9-171.9-25.835.2000114.9V22 S219 L221 Q225 I253P18-V22 WeakPolarHBondContact O-CG2 2.88Å; P18-V22 PolarHBondContact O-N 3.02Å; P18-S219 WeakPolarHBondContact CA-O 3.37Å; P18-L221 HydrophobicContact CG-CB 4.25Å; P18-L221 HydrophobicContact CG-CD1 3.95Å; P18-L221 HydrophobicContact CG-CG 4.17Å; P18-Q225 VanDerWaalsContact CG-NE2 3.34Å; P18-I253 HydrophobicContact CB-CD1 4.16Å; P18-I253 HydrophobicContact CB-CG1 3.5Å
19I94.3Very high96.6Very high26 Ų2643.2 Ų43.213%0.13325%0.253CS..Hα-helixtrans-76.9-46.6-179.4-60.7-51.4000110.7D17 S21 V22 A23 R252 I253D17-I19 VanDerWaalsContact C-N 3.28Å; D17-I19 PolarHBondContact O-N 3.17Å; D17-I19 PolarHBondContact OD1-N 2.79Å; I19-S21 PolarHBondContact O-N 3.2Å; I19-V22 PolarHBondContact O-N 2.94Å; I19-A23 WeakPolarHBondContact O-CB 3.39Å; I19-A23 PolarHBondContact O-N 2.81Å; I19-R252 HydrophobicContact CD1-CG 3.58Å; I19-I253 HydrophobicContact CD1-CD1 3.95Å; I19-I253 HydrophobicContact CD1-CG1 4.48Å
20A95.1Very high96.6Very high32 Ų3247.8 Ų47.826%0.26427%0.273SS..Hα-helixtrans-59-37.6173.400000111M16 D17 A23 F24M16-A20 HydrophobicContact CB-CB 4.43Å; M16-A20 HydrophobicContact CE-CB 3.71Å; M16-A20 WeakPolarHBondContact CE-O 3.45Å; D17-A20 PolarHBondContact O-N 3.06Å; D17-A20 WeakPolarHBondContact OD1-CB 3.43Å; D17-A20 PolarHBondContact OD1-N 3.47Å; D17-A20 VanDerWaalsContact OD2-CB 3.31Å; D17-A20 WeakPolarHBondContact OD2-CB 3.44Å; A20-A23 PolarHBondContact O-N 3.44Å; A20-F24 VanDerWaalsContact O-CB 3.24Å; A20-F24 WeakPolarHBondContact O-CB 3.45Å; A20-F24 PolarHBondContact O-N 2.87Å
21S96.8Very high96.6Very high0 Ų051.1 Ų51.10%029%0.288CS..Hα-helixtrans-62.3-50.3176-63.70000112.1M16 D17 I19 A23 F24 I25 V218 S219M16-S21 WeakPolarHBondContact CB-OG 3.26Å; M16-S21 PolarHBondContact O-OG 3.17Å; M16-S21 VanDerWaalsContact O-OG 3.13Å; D17-S21 VanDerWaalsContact O-CB 3.25Å; D17-S21 WeakPolarHBondContact O-CB 3.47Å; D17-S21 PolarHBondContact O-N 3.24Å; D17-S21 PolarHBondContact O-OG 3.03Å; I19-S21 PolarHBondContact O-N 3.2Å; S21-A23 PolarHBondContact O-N 3.26Å; S21-F24 PolarHBondContact O-N 3.13Å; S21-I25 VanDerWaalsContact O-CD1 3.3Å; S21-I25 WeakPolarHBondContact O-CD1 3.48Å; S21-I25 WeakPolarHBondContact O-CG1 3.42Å; S21-I25 PolarHBondContact O-N 3Å; S21-V218 WeakPolarHBondContact OG-CA 3.28Å; S21-S219 WeakPolarHBondContact CB-O 3.33Å; S21-S219 PolarHBondContact OG-N 3.43Å; S21-S219 PolarHBondContact OG-O 3.37Å
22V96.4Very high96.7Very high0 Ų047 Ų470%026%0.26CS..Hα-helixtrans-61.7-44.4177.6170.20000111.1P18 I19 I25 A26 F220 I253 N300P18-V22 WeakPolarHBondContact O-CG2 2.88Å; P18-V22 PolarHBondContact O-N 3.02Å; I19-V22 PolarHBondContact O-N 2.94Å; V22-I25 PolarHBondContact O-N 2.82Å; V22-A26 VanDerWaalsContact O-CB 3.26Å; V22-A26 WeakPolarHBondContact O-CB 3.12Å; V22-A26 PolarHBondContact O-N 2.88Å; V22-F220 HydrophobicContact CG2-CD1 4.31Å; V22-F220 HydrophobicContact CG2-CE1 4.15Å; V22-I253 HydrophobicContact CG2-CD1 3.61Å; V22-N300 HydrophobicContact CG1-CB 4.24Å; V22-N300 HydrophobicContact CG2-CB 3.93Å
23A96Very high96.6Very high45 Ų4549 Ų4937%0.37225%0.253SS..Hα-helixtrans-60.7-4917800000111.8I19 A20 S21 I25 A26 E27I19-A23 WeakPolarHBondContact O-CB 3.39Å; I19-A23 PolarHBondContact O-N 2.81Å; A20-A23 PolarHBondContact O-N 3.44Å; S21-A23 PolarHBondContact O-N 3.26Å; A23-I25 PolarHBondContact O-N 3.23Å; A23-A26 PolarHBondContact O-N 2.87Å; A23-E27 WeakPolarHBondContact O-CG 3.36Å; A23-E27 PolarHBondContact O-N 3.08Å; A23-E27 VanDerWaalsContact O-N 3.1Å
24F97.8Very high96.6Very high12 Ų1247.7 Ų47.75%0.05324%0.244CC..Hα-helixtrans-59.2-47.1177.9173.4-108.8000112.2M16 A20 S21 A26 E27 H28 Y213 E214 R216 V218M16-F24 HydrophobicContact CE-CB 3.75Å; M16-F24 HydrophobicContact CE-CG 4.23Å; M16-F24 HydrophobicContact SD-CB 4.25Å; M16-F24 HydrophobicContact SD-CD1 4.21Å; M16-F24 HydrophobicContact SD-CG 4.19Å; A20-F24 VanDerWaalsContact O-CB 3.24Å; A20-F24 WeakPolarHBondContact O-CB 3.45Å; A20-F24 PolarHBondContact O-N 2.87Å; S21-F24 PolarHBondContact O-N 3.13Å; F24-A26 VanDerWaalsContact C-N 3.33Å; F24-A26 PolarHBondContact O-N 2.76Å; F24-E27 PolarHBondContact O-N 3.31Å; F24-H28 AromaticContact CD2-CE1 3.54Å; F24-H28 AromaticContact CD2-ND1 3.56Å; F24-H28 AromaticContact CE2-CE1 3.37Å; F24-H28 WeakPolarHBondContact CE2-CE1 3.26Å; F24-H28 AromaticContact CE2-ND1 3.55Å; F24-H28 AromaticContact CE2-NE2 3.72Å; F24-H28 PolarHBondContact O-N 3.44Å; F24-H28 PolarHBondContact O-ND1 2.97Å; F24-Y213 HydrophobicContact CD1-CD1 4.45Å; F24-Y213 HydrophobicContact CE1-CD1 4.02Å; F24-E214 HydrophobicContact CE1-CB 4.41Å; F24-E214 HydrophobicContact CZ-CB 4.19Å; F24-R216 HydrophobicContact CE1-CB 3.88Å; F24-R216 HydrophobicContact CE1-CG 4.14Å; F24-R216 VanDerWaalsContact CE2-NH2 3.26Å; F24-R216 HydrophobicContact CZ-CB 4.16Å; F24-R216 HydrophobicContact CZ-CG 3.88Å; F24-V218 HydrophobicContact CD1-CG1 3.97Å; F24-V218 HydrophobicContact CE1-CG1 4.41Å
25I97.9Very high96.6Very high0 Ų042.7 Ų42.70%022%0.217CC..Hα-helixtrans-66.4-38.4178.7-61.7157.8000110.3S21 V22 A23 E27 H28 S29 Y213 V218 F220 V293 E294 A297S21-I25 VanDerWaalsContact O-CD1 3.3Å; S21-I25 WeakPolarHBondContact O-CD1 3.48Å; S21-I25 WeakPolarHBondContact O-CG1 3.42Å; S21-I25 PolarHBondContact O-N 3Å; V22-I25 PolarHBondContact O-N 2.82Å; A23-I25 PolarHBondContact O-N 3.23Å; I25-E27 VanDerWaalsContact C-N 3.26Å; I25-E27 PolarHBondContact O-N 3.41Å; I25-H28 CarbonylContact O-C 3.52Å; I25-H28 PolarHBondContact O-N 2.61Å; I25-H28 VanDerWaalsContact O-N 3.08Å; I25-S29 WeakPolarHBondContact O-CA 3.46Å; I25-S29 VanDerWaalsContact O-CB 3.23Å; I25-S29 WeakPolarHBondContact O-CB 3.29Å; I25-S29 PolarHBondContact O-N 3.32Å; I25-Y213 HydrophobicContact CB-CD1 4.46Å; I25-Y213 HydrophobicContact CB-CE1 4.32Å; I25-Y213 HydrophobicContact CG1-CD1 3.72Å; I25-Y213 HydrophobicContact CG1-CE1 4.07Å; I25-Y213 HydrophobicContact CG1-CG 4.24Å; I25-Y213 HydrophobicContact CG2-CD1 4.45Å; I25-Y213 HydrophobicContact CG2-CE1 4.03Å; I25-V218 HydrophobicContact CD1-CB 4.11Å; I25-V218 HydrophobicContact CD1-CG1 4.14Å; I25-V218 HydrophobicContact CD1-CG2 4.09Å; I25-V218 HydrophobicContact CG1-CG1 4.23Å; I25-F220 HydrophobicContact CD1-CE1 4.34Å; I25-F220 HydrophobicContact CD1-CZ 3.84Å; I25-V293 HydrophobicContact CD1-CG1 3.6Å; I25-V293 HydrophobicContact CG1-CG1 4.25Å; I25-E294 HydrophobicContact CG2-CG 4.43Å; I25-A297 HydrophobicContact CB-CB 3.6Å; I25-A297 HydrophobicContact CD1-CB 3.65Å; I25-A297 HydrophobicContact CG1-CB 4.24Å; I25-A297 HydrophobicContact CG2-CB 3.4Å; I25-A297 VanDerWaalsContact CG2-CB 3.4Å
26A96.7Very high96.5Very high26 Ų2649.3 Ų49.322%0.21524%0.241CC..Hα-helixtrans-62-33.1178.200000113.3V22 A23 F24 M298 Y301V22-A26 VanDerWaalsContact O-CB 3.26Å; V22-A26 WeakPolarHBondContact O-CB 3.12Å; V22-A26 PolarHBondContact O-N 2.88Å; A23-A26 PolarHBondContact O-N 2.87Å; F24-A26 VanDerWaalsContact C-N 3.33Å; F24-A26 PolarHBondContact O-N 2.76Å; A26-M298 VanDerWaalsContact CA-SD 3.55Å; A26-M298 HydrophobicContact CB-SD 3.81Å; A26-Y301 HydrophobicContact CB-CD2 3.87Å; A26-Y301 HydrophobicContact CB-CE2 4.13Å; A26-Y301 HydrophobicContact CB-CG 4.2Å
27E97.2Very high96.5Very high152 Ų15255.8 Ų55.871%0.7127%0.271SS*.Hα-helixtrans-74.7-27.4174.3-70.2172.8-179.700113.3A23 F24 I25A23-E27 WeakPolarHBondContact O-CG 3.36Å; A23-E27 PolarHBondContact O-N 3.08Å; A23-E27 VanDerWaalsContact O-N 3.1Å; F24-E27 PolarHBondContact O-N 3.31Å; I25-E27 VanDerWaalsContact C-N 3.26Å; I25-E27 PolarHBondContact O-N 3.41Å
28H97.5Very high96.6Very high78 Ų7856.7 Ų56.736%0.36127%0.273SS..Hα-helixtrans-111.2-1.9-172-6475.1000113.9F24 I25 K30 Y213F24-H28 AromaticContact CD2-CE1 3.54Å; F24-H28 AromaticContact CD2-ND1 3.56Å; F24-H28 AromaticContact CE2-CE1 3.37Å; F24-H28 WeakPolarHBondContact CE2-CE1 3.26Å; F24-H28 AromaticContact CE2-ND1 3.55Å; F24-H28 AromaticContact CE2-NE2 3.72Å; F24-H28 PolarHBondContact O-N 3.44Å; F24-H28 PolarHBondContact O-ND1 2.97Å; I25-H28 CarbonylContact O-C 3.52Å; I25-H28 PolarHBondContact O-N 2.61Å; I25-H28 VanDerWaalsContact O-N 3.08Å; H28-K30 PolarHBondContact O-N 3.22Å; H28-Y213 HydrophobicContact CB-CE1 4.11Å; H28-Y213 PolarHBondContact O-OH 2.67Å
29S97Very high96.7Very high19 Ų1956.9 Ų56.913%0.13327%0.273CS..  trans-66125.9-177.7-175.30000110.8I25 V32 E294I25-S29 WeakPolarHBondContact O-CA 3.46Å; I25-S29 VanDerWaalsContact O-CB 3.23Å; I25-S29 WeakPolarHBondContact O-CB 3.29Å; I25-S29 PolarHBondContact O-N 3.32Å; S29-V32 WeakPolarHBondContact CB-O 3.31Å; S29-V32 PolarHBondContact OG-O 3.45Å; S29-E294 VanDerWaalsContact OG-CD 3.22Å; S29-E294 WeakPolarHBondContact OG-CG 3.38Å; S29-E294 PolarHBondContact OG-OE2 3.34Å; S29-E294 VanDerWaalsContact OG-OE2 3.13Å
30K96.6Very high96.7Very high132 Ų13259.6 Ų59.657%0.57429%0.286SS*.SBendtrans-99.7-40.3-175-66.3169.7-175.51580111.6H28 E214 E294H28-K30 PolarHBondContact O-N 3.22Å; K30-E214 IonicContact NZ-OE1 2.85Å; K30-E214 PolarHBondContact NZ-OE1 3.08Å; K30-E214 IonicContact NZ-OE2 2.69Å; K30-E294 PolarHBondContact N-OE1 3.07Å
31K97.5Very high96.8Very high76 Ų7661.1 Ų61.133%0.3330%0.295SS..SBendtrans-107.8-17.4-169.2-64.5-177.4-172.11730113.8I271 S272 I275 D291 E294K31-I271 CarbonylContact O-C 3.16Å; K31-I271 WeakPolarHBondContact O-CA 3.45Å; K31-S272 WeakPolarHBondContact CB-OG 3.41Å; K31-S272 PolarHBondContact O-N 2.72Å; K31-I275 HydrophobicContact CB-CD1 3.63Å; K31-I275 HydrophobicContact CB-CG1 4.44Å; K31-I275 HydrophobicContact CD-CD1 4.15Å; K31-I275 HydrophobicContact CD-CG1 4.28Å; K31-D291 VanDerWaalsContact CD-OD1 3.26Å; K31-D291 WeakPolarHBondContact CD-OD1 3.37Å; K31-D291 WeakPolarHBondContact CE-OD1 3.39Å; K31-D291 IonicContact NZ-OD1 2.73Å; K31-D291 PolarHBondContact NZ-OD1 3.33Å; K31-D291 IonicContact NZ-OD2 3.34Å; K31-E294 VanDerWaalsContact CA-OE2 3.31Å; K31-E294 WeakPolarHBondContact CA-OE2 3.22Å; K31-E294 VanDerWaalsContact CB-OE2 3.29Å; K31-E294 WeakPolarHBondContact CB-OE2 3.39Å; K31-E294 PolarHBondContact N-OE2 3.1Å
32V97.6Very high96.7Very high0 Ų061.6 Ų61.60%030%0.297CS..EExtended strand (participates in β ladder)trans-119128.7175.8-170.40000110.3S29 L269 T270 I271 I275 E294 M295 M298S29-V32 WeakPolarHBondContact CB-O 3.31Å; S29-V32 PolarHBondContact OG-O 3.45Å; V32-L269 HydrophobicContact CG1-CD1 3.6Å; V32-L269 HydrophobicContact CG1-CD2 3.96Å; V32-L269 HydrophobicContact CG1-CG 3.67Å; V32-T270 CarbonylContact C-O 3.48Å; V32-T270 WeakPolarHBondContact CA-O 3.44Å; V32-I271 HydrophobicContact CG1-CG2 4.13Å; V32-I271 HydrophobicContact CG2-CG2 4.2Å; V32-I275 HydrophobicContact CG2-CD1 3.71Å; V32-E294 HydrophobicContact CB-CB 4Å; V32-E294 HydrophobicContact CG2-CB 3.71Å; V32-E294 PolarHBondContact N-OE2 2.93Å; V32-M295 HydrophobicContact CG2-CG 3.74Å; V32-M298 HydrophobicContact CB-CB 4.24Å; V32-M298 HydrophobicContact CB-CG 4Å; V32-M298 HydrophobicContact CG1-CB 3.59Å; V32-M298 HydrophobicContact CG1-CG 3.9Å
33K97.2Very high96.6Very high127 Ų12761.6 Ų61.655%0.55230%0.297SS*.EExtended strand (participates in β ladder)trans-131.7147.2-175.3-65.3-176.5-179.8179.20111.6T270K33-T270 PolarHBondContact N-O 3.45Å; K33-T270 PolarHBondContact O-N 2.98Å
34F96.9Very high96.5Very high36 Ų3663.3 Ų63.316%0.15830%0.297CS..EExtended strand (participates in β ladder)trans-82124.8169.7172.6-114.3000109.7R36 L39 L268 M298 Y301 C302 R305F34-R36 HydrophobicContact CD1-CB 4.37Å; F34-R36 HydrophobicContact CE1-CB 4Å; F34-R36 PolarHBondContact O-N 2.92Å; F34-L39 HydrophobicContact CZ-CB 4.13Å; F34-L39 HydrophobicContact CZ-CD1 4.13Å; F34-L39 HydrophobicContact CZ-CD2 4.1Å; F34-L39 HydrophobicContact CZ-CG 4.34Å; F34-L268 WeakPolarHBondContact CD2-O 3.18Å; F34-L268 HydrophobicContact CE2-CD2 4.34Å; F34-M298 HydrophobicContact CB-CE 3.75Å; F34-Y301 HydrophobicContact CB-CD1 3.92Å; F34-Y301 HydrophobicContact CB-CE1 4Å; F34-Y301 HydrophobicContact CD1-CD1 4.46Å; F34-Y301 AromaticContact CD1-CE1 3.96Å; F34-Y301 HydrophobicContact CD1-CE1 3.96Å; F34-Y301 HydrophobicContact CG-CD1 4.1Å; F34-Y301 HydrophobicContact CG-CE1 4.05Å; F34-C302 HydrophobicContact CD2-CB 4.48Å; F34-R305 HydrophobicContact CE1-CB 4.27Å; F34-R305 HydrophobicContact CE1-CG 4.26Å; F34-R305 HydrophobicContact CE2-CB 4.28Å; F34-R305 HydrophobicContact CZ-CB 3.85Å; F34-R305 HydrophobicContact CZ-CG 4.31Å
35N96.8Very high96.3Very high32 Ų3266.9 Ų66.917%0.17132%0.315CS..  trans-9094.1177.4-171.5-11000110.5E37 K38 E267 L268N35-E37 VanDerWaalsContact C-N 3.25Å; N35-E37 PolarHBondContact O-N 3.38Å; N35-E37 WeakPolarHBondContact OD1-CB 3.43Å; N35-E37 PolarHBondContact OD1-N 3.46Å; N35-K38 HydrophobicContact CB-CG 4.5Å; N35-K38 VanDerWaalsContact ND2-CG 3.29Å; N35-K38 WeakPolarHBondContact ND2-CG 3.23Å; N35-K38 PolarHBondContact O-N 3.24Å; N35-E267 WeakPolarHBondContact CB-O 2.96Å; N35-E267 PolarHBondContact ND2-O 3.18Å; N35-E267 VanDerWaalsContact ND2-O 3.11Å; N35-L268 PolarHBondContact N-O 2.71Å
36R95.9Very high95.9Very high153 Ų15369 Ų6958%0.57733%0.328SS*.Hα-helixtrans-62.6-31.5-179.9-17863.8-176.4-136.15.5112.8F34 K38 L39F34-R36 HydrophobicContact CD1-CB 4.37Å; F34-R36 HydrophobicContact CE1-CB 4Å; F34-R36 PolarHBondContact O-N 2.92Å; R36-K38 VanDerWaalsContact C-N 3.25Å; R36-K38 PolarHBondContact O-N 3.31Å; R36-L39 VanDerWaalsContact O-CB 3.28Å; R36-L39 WeakPolarHBondContact O-CB 3.42Å; R36-L39 PolarHBondContact O-N 3.21Å
37E96.6Very high95.6Very high177 Ų17768.8 Ų68.883%0.82732%0.323SS*.Hα-helixtrans-65.1-31.1-177.2-60.1177.5177.800112N35N35-E37 VanDerWaalsContact C-N 3.25Å; N35-E37 PolarHBondContact O-N 3.38Å; N35-E37 WeakPolarHBondContact OD1-CB 3.43Å; N35-E37 PolarHBondContact OD1-N 3.46Å
38K96.5Very high95.4Very high68 Ų6865.3 Ų65.330%0.29631%0.307SS..Hα-helixtrans-82.4-18.6178.4-68.2-74.7175.3163.70113.5N35 R36 E40 S41 V42 E267 L268N35-K38 HydrophobicContact CB-CG 4.5Å; N35-K38 VanDerWaalsContact ND2-CG 3.29Å; N35-K38 WeakPolarHBondContact ND2-CG 3.23Å; N35-K38 PolarHBondContact O-N 3.24Å; R36-K38 VanDerWaalsContact C-N 3.25Å; R36-K38 PolarHBondContact O-N 3.31Å; K38-E40 VanDerWaalsContact C-N 3.33Å; K38-E40 PolarHBondContact O-N 3.45Å; K38-S41 PolarHBondContact O-N 3.2Å; K38-S41 PolarHBondContact O-OG 2.95Å; K38-V42 WeakPolarHBondContact O-CG2 3.21Å; K38-V42 PolarHBondContact O-N 3.03Å; K38-V42 VanDerWaalsContact O-N 3.11Å; K38-E267 HydrophobicContact CD-CB 4.15Å; K38-E267 VanDerWaalsContact CE-OE2 3.26Å; K38-E267 WeakPolarHBondContact CE-OE2 3.36Å; K38-E267 HydrophobicContact CG-CB 3.99Å; K38-E267 IonicContact NZ-OE2 2.73Å; K38-E267 PolarHBondContact NZ-OE2 3.09Å; K38-L268 HydrophobicContact CB-CD2 3.84Å
39L96.4Very high95Very high3 Ų365.7 Ų65.72%0.01631%0.309CS..Hα-helixtrans-50.3-52.7-174.3179.461.6000112.1F34 R36 S41 V42 V43 L268 F306F34-L39 HydrophobicContact CZ-CB 4.13Å; F34-L39 HydrophobicContact CZ-CD1 4.13Å; F34-L39 HydrophobicContact CZ-CD2 4.1Å; F34-L39 HydrophobicContact CZ-CG 4.34Å; R36-L39 VanDerWaalsContact O-CB 3.28Å; R36-L39 WeakPolarHBondContact O-CB 3.42Å; R36-L39 PolarHBondContact O-N 3.21Å; L39-S41 PolarHBondContact O-N 3.12Å; L39-V42 PolarHBondContact O-N 3.09Å; L39-V43 HydrophobicContact CD1-CG2 3.81Å; L39-V43 HydrophobicContact CG-CG2 4.26Å; L39-V43 WeakPolarHBondContact O-CB 3.44Å; L39-V43 VanDerWaalsContact O-CG2 3.24Å; L39-V43 WeakPolarHBondContact O-CG2 3.34Å; L39-V43 PolarHBondContact O-N 3.29Å; L39-L268 VanDerWaalsContact CA-CD2 3.47Å; L39-L268 HydrophobicContact CB-CD2 4.28Å; L39-F306 HydrophobicContact CD1-CB 4.37Å
40E95.1Very high94.5Very high84 Ų8468 Ų6839%0.39332%0.318SS..Hα-helixtrans-57.1-51.1-177.5-72.5-60.9141.300112.6K38 V42 V43 Q44 R313K38-E40 VanDerWaalsContact C-N 3.33Å; K38-E40 PolarHBondContact O-N 3.45Å; E40-V42 VanDerWaalsContact C-N 3.31Å; E40-V42 PolarHBondContact O-N 3.45Å; E40-V43 PolarHBondContact O-N 2.96Å; E40-Q44 WeakPolarHBondContact O-CB 3.33Å; E40-Q44 PolarHBondContact O-N 2.96Å; E40-R313 IonicContact OE1-CZ 2.82Å; E40-R313 IonicContact OE1-NH2 3.04Å; E40-R313 PolarHBondContact OE1-NH2 2.96Å; E40-R313 IonicContact OE2-CZ 3.84Å; E40-R313 IonicContact OE2-NH1 3.91Å; E40-R313 PolarHBondContact OE2-NH1 3.32Å; E40-R313 IonicContact OE2-NH2 3.9Å; E40-R313 PolarHBondContact OE2-NH2 3.04Å
41S95.6Very high94.1Very high64 Ų6469.3 Ų69.345%0.44833%0.327SS..Hα-helixtrans-62.3-37.6-179.761.70000113K38 L39 M45K38-S41 PolarHBondContact O-N 3.2Å; K38-S41 PolarHBondContact O-OG 2.95Å; L39-S41 PolarHBondContact O-N 3.12Å; S41-M45 WeakPolarHBondContact O-CB 3.24Å; S41-M45 PolarHBondContact O-N 3.48Å; S41-M45 VanDerWaalsContact O-N 3.07Å
42V95.4Very high93.6Very high9 Ų972.5 Ų72.56%0.05534%0.341CS..Hα-helixtrans-77.8-38-178179.70000111.1K38 L39 E40 M45 V46 Y266 L268 F306K38-V42 WeakPolarHBondContact O-CG2 3.21Å; K38-V42 PolarHBondContact O-N 3.03Å; K38-V42 VanDerWaalsContact O-N 3.11Å; L39-V42 PolarHBondContact O-N 3.09Å; E40-V42 VanDerWaalsContact C-N 3.31Å; E40-V42 PolarHBondContact O-N 3.45Å; V42-M45 PolarHBondContact O-N 2.74Å; V42-V46 PolarHBondContact O-N 3.22Å; V42-V46 VanDerWaalsContact O-N 3.11Å; V42-Y266 HydrophobicContact CG1-CG 4.32Å; V42-L268 HydrophobicContact CB-CD1 3.86Å; V42-L268 HydrophobicContact CB-CD2 4.31Å; V42-L268 HydrophobicContact CB-CG 4.22Å; V42-L268 HydrophobicContact CG1-CD1 3.59Å; V42-L268 HydrophobicContact CG1-CG 4.35Å; V42-L268 HydrophobicContact CG2-CD1 4.11Å; V42-L268 HydrophobicContact CG2-CD2 4.16Å; V42-L268 HydrophobicContact CG2-CG 3.95Å; V42-F306 HydrophobicContact CG1-CD2 4.39Å; V42-F306 HydrophobicContact CG1-CE2 4.03Å
43V94.5Very high92.9Very high0 Ų073.5 Ų73.50%035%0.351CS..Hα-helixtrans-60.5-47.2172.2168.60000110.2L39 E40 M45 V46 L47 F306 C309 V310L39-V43 HydrophobicContact CD1-CG2 3.81Å; L39-V43 HydrophobicContact CG-CG2 4.26Å; L39-V43 WeakPolarHBondContact O-CB 3.44Å; L39-V43 VanDerWaalsContact O-CG2 3.24Å; L39-V43 WeakPolarHBondContact O-CG2 3.34Å; L39-V43 PolarHBondContact O-N 3.29Å; E40-V43 PolarHBondContact O-N 2.96Å; V43-M45 PolarHBondContact O-N 2.93Å; V43-V46 PolarHBondContact O-N 3.45Å; V43-L47 HydrophobicContact CG1-CD1 3.88Å; V43-L47 HydrophobicContact CG1-CG 4.35Å; V43-L47 WeakPolarHBondContact O-CG 3.47Å; V43-L47 PolarHBondContact O-N 3.25Å; V43-F306 HydrophobicContact CB-CE2 4.49Å; V43-F306 HydrophobicContact CG2-CD2 3.72Å; V43-F306 HydrophobicContact CG2-CE2 3.85Å; V43-C309 HydrophobicContact CG2-CB 3.88Å; V43-V310 HydrophobicContact CG1-CG2 4.03Å; V43-V310 HydrophobicContact CG2-CG2 4.26Å
44Q94.3Very high91.7Very high81 Ų8169.4 Ų69.438%0.37934%0.34SS..Hα-helixtrans-58.8-46.4178.2-176.156.939.100111.7E40 V46 L47 E48E40-Q44 WeakPolarHBondContact O-CB 3.33Å; E40-Q44 PolarHBondContact O-N 2.96Å; Q44-V46 VanDerWaalsContact C-N 3.31Å; Q44-V46 PolarHBondContact O-N 3.22Å; Q44-L47 PolarHBondContact O-N 2.88Å; Q44-E48 WeakPolarHBondContact CG-OE1 3.42Å; Q44-E48 PolarHBondContact NE2-OE1 3.19Å; Q44-E48 WeakPolarHBondContact O-CG 3.49Å; Q44-E48 PolarHBondContact O-N 3.04Å
45M93.2Very high90.3Very high87 Ų8771.9 Ų71.943%0.42936%0.362SS..Hα-helixtrans-56.8-42.9176-177.1-173-62.900112.5S41 V42 V43 E49 Y266S41-M45 WeakPolarHBondContact O-CB 3.24Å; S41-M45 PolarHBondContact O-N 3.48Å; S41-M45 VanDerWaalsContact O-N 3.07Å; V42-M45 PolarHBondContact O-N 2.74Å; V43-M45 PolarHBondContact O-N 2.93Å; M45-E49 WeakPolarHBondContact O-CG 3.31Å; M45-E49 PolarHBondContact O-N 2.7Å; M45-Y266 HydrophobicContact CE-CE1 4.45Å; M45-Y266 HydrophobicContact SD-CD1 4.23Å; M45-Y266 HydrophobicContact SD-CE1 3.64Å
46V90.1Very high88.2Confident45 Ų4578.4 Ų78.427%0.27339%0.391SS..Hα-helixtrans-71.5-39.1-179.81720000111.9V42 V43 Q44 E48 E49 M50 F306V42-V46 PolarHBondContact O-N 3.22Å; V42-V46 VanDerWaalsContact O-N 3.11Å; V43-V46 PolarHBondContact O-N 3.45Å; Q44-V46 VanDerWaalsContact C-N 3.31Å; Q44-V46 PolarHBondContact O-N 3.22Å; V46-E48 VanDerWaalsContact C-N 3.34Å; V46-E48 PolarHBondContact O-N 3.39Å; V46-E49 PolarHBondContact O-N 3.11Å; V46-M50 HydrophobicContact CG1-CG 4.31Å; V46-M50 HydrophobicContact CG1-SD 3.99Å; V46-M50 VanDerWaalsContact O-CG 3.29Å; V46-M50 WeakPolarHBondContact O-CG 3.49Å; V46-M50 PolarHBondContact O-N 2.84Å; V46-F306 HydrophobicContact CB-CE2 4.37Å; V46-F306 HydrophobicContact CB-CZ 3.83Å; V46-F306 HydrophobicContact CG1-CZ 3.94Å; V46-F306 HydrophobicContact CG2-CE2 4.11Å; V46-F306 HydrophobicContact CG2-CZ 3.67Å
47L90.5Very high86Confident21 Ų2177.7 Ų77.711%0.1139%0.394CS..Hα-helixtrans-61.1-43.1175.4-70.5172.3000111.5V43 Q44 E49 M50 E51 V310 R313V43-L47 HydrophobicContact CG1-CD1 3.88Å; V43-L47 HydrophobicContact CG1-CG 4.35Å; V43-L47 WeakPolarHBondContact O-CG 3.47Å; V43-L47 PolarHBondContact O-N 3.25Å; Q44-L47 PolarHBondContact O-N 2.88Å; L47-E49 VanDerWaalsContact C-N 3.35Å; L47-E49 PolarHBondContact O-N 3.02Å; L47-M50 HydrophobicContact CD2-SD 4.49Å; L47-M50 WeakPolarHBondContact O-CB 3.21Å; L47-M50 PolarHBondContact O-N 3.29Å; L47-M50 VanDerWaalsContact O-N 3.17Å; L47-E51 WeakPolarHBondContact O-CG 3.41Å; L47-E51 PolarHBondContact O-N 2.84Å; L47-V310 HydrophobicContact CD2-CG1 4.13Å; L47-R313 HydrophobicContact CD1-CB 3.79Å; L47-R313 HydrophobicContact CD1-CG 4.35Å
48E91.9Very high83.5Confident79 Ų7973.6 Ų73.637%0.36939%0.385SS..Hα-helixtrans-61.3-40.9175.6-73.2170.5-164.200112.5Q44 V46 E51 K52Q44-E48 WeakPolarHBondContact CG-OE1 3.42Å; Q44-E48 PolarHBondContact NE2-OE1 3.19Å; Q44-E48 WeakPolarHBondContact O-CG 3.49Å; Q44-E48 PolarHBondContact O-N 3.04Å; V46-E48 VanDerWaalsContact C-N 3.34Å; V46-E48 PolarHBondContact O-N 3.39Å; E48-E51 PolarHBondContact O-N 3.39Å; E48-K52 VanDerWaalsContact O-CG 3.29Å; E48-K52 WeakPolarHBondContact O-CG 3.28Å; E48-K52 PolarHBondContact O-N 3.18Å; E48-K52 VanDerWaalsContact O-N 3.15Å
49E89.7Confident81.1Confident86 Ų8677.8 Ų77.840%0.40240%0.4SS..Hα-helixtrans-68.5-37175-69.9-58.4120.600111.7M45 V46 L47 K52 G53 A54M45-E49 WeakPolarHBondContact O-CG 3.31Å; M45-E49 PolarHBondContact O-N 2.7Å; V46-E49 PolarHBondContact O-N 3.11Å; L47-E49 VanDerWaalsContact C-N 3.35Å; L47-E49 PolarHBondContact O-N 3.02Å; E49-K52 CarbonylContact O-C 3.4Å; E49-K52 WeakPolarHBondContact O-CB 3.27Å; E49-K52 PolarHBondContact O-N 2.83Å; E49-K52 VanDerWaalsContact O-N 3.17Å; E49-K52 WeakPolarHBondContact OE1-CD 3.44Å; E49-K52 IonicContact OE1-NZ 3.63Å; E49-K52 PolarHBondContact OE1-NZ 3.32Å; E49-G53 PolarHBondContact O-N 2.97Å; E49-A54 VanDerWaalsContact C-CB 3.48Å; E49-A54 HydrophobicContact CB-CB 3.85Å; E49-A54 WeakPolarHBondContact O-CA 3.42Å; E49-A54 WeakPolarHBondContact O-CB 3.48Å; E49-A54 PolarHBondContact O-N 2.95Å
50M86.6Confident78.7Confident67 Ų6780.1 Ų80.133%0.3342%0.415SS..Hα-helixtrans-61.8-42.2174.7-74.1173.662.800112V46 L47 K52 G53 A54 C55 V310V46-M50 HydrophobicContact CG1-CG 4.31Å; V46-M50 HydrophobicContact CG1-SD 3.99Å; V46-M50 VanDerWaalsContact O-CG 3.29Å; V46-M50 WeakPolarHBondContact O-CG 3.49Å; V46-M50 PolarHBondContact O-N 2.84Å; L47-M50 HydrophobicContact CD2-SD 4.49Å; L47-M50 WeakPolarHBondContact O-CB 3.21Å; L47-M50 PolarHBondContact O-N 3.29Å; L47-M50 VanDerWaalsContact O-N 3.17Å; M50-K52 VanDerWaalsContact C-N 3.27Å; M50-K52 PolarHBondContact O-N 3.49Å; M50-G53 WeakPolarHBondContact O-CA 3.18Å; M50-G53 PolarHBondContact O-N 3.12Å; M50-A54 WeakPolarHBondContact CA-O 2.84Å; M50-C55 HydrophobicContact CG-CB 4.22Å; M50-V310 HydrophobicContact SD-CG1 4.31Å
51E86.9Confident76.6Confident160 Ų16086.7 Ų86.775%0.74844%0.436SS*.Hα-helixtrans-62-34.6173.9-72.5175.7179.500112.2L47 E48 G53L47-E51 WeakPolarHBondContact O-CG 3.41Å; L47-E51 PolarHBondContact O-N 2.84Å; E48-E51 PolarHBondContact O-N 3.39Å; E51-G53 PolarHBondContact O-N 3.37Å
52K88.2Confident74.8Confident144 Ų14484.1 Ų84.163%0.62642%0.417SS*.THydrogen-bonded Turntrans-74.40.6172.6-65168.7-159.5166.20113.7E48 E49 M50E48-K52 VanDerWaalsContact O-CG 3.29Å; E48-K52 WeakPolarHBondContact O-CG 3.28Å; E48-K52 PolarHBondContact O-N 3.18Å; E48-K52 VanDerWaalsContact O-N 3.15Å; E49-K52 CarbonylContact O-C 3.4Å; E49-K52 WeakPolarHBondContact O-CB 3.27Å; E49-K52 PolarHBondContact O-N 2.83Å; E49-K52 VanDerWaalsContact O-N 3.17Å; E49-K52 WeakPolarHBondContact OE1-CD 3.44Å; E49-K52 IonicContact OE1-NZ 3.63Å; E49-K52 PolarHBondContact OE1-NZ 3.32Å; M50-K52 VanDerWaalsContact C-N 3.27Å; M50-K52 PolarHBondContact O-N 3.49Å
53G82.4Confident73.1Confident20 Ų2087.1 Ų87.121%0.20644%0.435CS..THydrogen-bonded Turntrans93.77.6178.800000114.9E49 M50 E51 Q56E49-G53 PolarHBondContact O-N 2.97Å; M50-G53 WeakPolarHBondContact O-CA 3.18Å; M50-G53 PolarHBondContact O-N 3.12Å; E51-G53 PolarHBondContact O-N 3.37Å; G53-Q56 WeakPolarHBondContact O-CB 3.45Å; G53-Q56 VanDerWaalsContact O-CG 3.29Å; G53-Q56 WeakPolarHBondContact O-CG 3.33Å; G53-Q56 PolarHBondContact O-N 2.86Å
54A72.9Confident71.7Confident41 Ų4187.6 Ų87.634%0.33944%0.438SS..THydrogen-bonded Turntrans-59.5147.9161.800000108.8E49 M50 Q56E49-A54 VanDerWaalsContact C-CB 3.48Å; E49-A54 HydrophobicContact CB-CB 3.85Å; E49-A54 WeakPolarHBondContact O-CA 3.42Å; E49-A54 WeakPolarHBondContact O-CB 3.48Å; E49-A54 PolarHBondContact O-N 2.95Å; M50-A54 WeakPolarHBondContact CA-O 2.84Å; A54-Q56 VanDerWaalsContact C-N 3.27Å; A54-Q56 PolarHBondContact O-N 3.02Å
55C65.9Low70Confident89 Ų8984.2 Ų84.260%0.60142%0.422SS*.THydrogen-bonded Turntrans70.15.1-174-50.10000116.6M50 Q57M50-C55 HydrophobicContact CG-CB 4.22Å; C55-Q57 CarbonylContact O-C 3.44Å; C55-Q57 PolarHBondContact O-N 3.47Å; C55-Q57 VanDerWaalsContact O-N 3.15Å
56Q52.8Low68.1Low168 Ų16884 Ų8479%0.78543%0.425SS*.  trans-60.7-20.9168.3-76.5-178.86.800112.9G53 A54 S58G53-Q56 WeakPolarHBondContact O-CB 3.45Å; G53-Q56 VanDerWaalsContact O-CG 3.29Å; G53-Q56 WeakPolarHBondContact O-CG 3.33Å; G53-Q56 PolarHBondContact O-N 2.86Å; A54-Q56 VanDerWaalsContact C-N 3.27Å; A54-Q56 PolarHBondContact O-N 3.02Å; Q56-S58 PolarHBondContact O-N 2.9Å; Q56-S58 VanDerWaalsContact O-N 3.1Å
57Q49.7Very low66.8Low139 Ų13982.6 Ų82.665%0.6542%0.415SS*.SBendtrans-72.5100.8162.4-68.6-175.9500108.3C55 Y59C55-Q57 CarbonylContact O-C 3.44Å; C55-Q57 PolarHBondContact O-N 3.47Å; C55-Q57 VanDerWaalsContact O-N 3.15Å; Q57-Y59 HydrophobicContact CB-CD2 4.44Å; Q57-Y59 HydrophobicContact CB-CE2 4.26Å; Q57-Y59 WeakPolarHBondContact O-CD2 3.22Å; Q57-Y59 PolarHBondContact O-N 3.21Å
58S45.4Very low65.5Low91 Ų9185 Ų8564%0.63643%0.428SS*.  trans-58.892.1162-176.80000107.5Q56 T60Q56-S58 PolarHBondContact O-N 2.9Å; Q56-S58 VanDerWaalsContact O-N 3.1Å; S58-T60 PolarHBondContact O-N 2.99Å; S58-T60 VanDerWaalsContact OG-CG2 3.24Å; S58-T60 WeakPolarHBondContact OG-CG2 3.28Å
59Y46.7Very low64.6Low155 Ų15583.3 Ų83.361%0.60842%0.422SS*.  trans-65.186.3156.8-75.8-87.1000104.3Q57 W61 V63Q57-Y59 HydrophobicContact CB-CD2 4.44Å; Q57-Y59 HydrophobicContact CB-CE2 4.26Å; Q57-Y59 WeakPolarHBondContact O-CD2 3.22Å; Q57-Y59 PolarHBondContact O-N 3.21Å; Y59-W61 PolarHBondContact O-N 2.77Å; Y59-V63 HydrophobicContact CD1-CG1 4.25Å; Y59-V63 HydrophobicContact CE1-CG1 4.14Å
60T45.5Very low64.4Low53 Ų5379.9 Ų79.933%0.32541%0.406SS..  trans-63.374.4176.739.60000108.9S58 N62 L233S58-T60 PolarHBondContact O-N 2.99Å; S58-T60 VanDerWaalsContact OG-CG2 3.24Å; S58-T60 WeakPolarHBondContact OG-CG2 3.28Å; T60-N62 PolarHBondContact O-N 2.68Å; T60-L233 WeakPolarHBondContact O-CD2 3.24Å
61W50.8Low64.3Low222 Ų22287.1 Ų87.184%0.84144%0.436SS*.SBendtrans44.81176.2-64.898.8000118.1Y59Y59-W61 PolarHBondContact O-N 2.77Å
62N58.4Low64.4Low10 Ų1081.5 Ų81.55%0.05341%0.411CS..  trans-164.899.6-166.1-147-55.8000111.7T60 L64 H65 Y81 L226 G230 L233T60-N62 PolarHBondContact O-N 2.68Å; N62-L64 PolarHBondContact O-N 3.28Å; N62-L64 WeakPolarHBondContact OD1-CB 3.36Å; N62-L64 PolarHBondContact OD1-N 2.73Å; N62-H65 HydrophobicContact CB-CB 4.1Å; N62-H65 WeakPolarHBondContact O-CB 3.3Å; N62-H65 PolarHBondContact O-N 2.85Å; N62-Y81 PolarHBondContact ND2-OH 3.02Å; N62-Y81 PolarHBondContact OD1-OH 3.02Å; N62-L226 PolarHBondContact ND2-O 2.87Å; N62-G230 WeakPolarHBondContact ND2-CA 3.08Å; N62-G230 PolarHBondContact ND2-N 3.13Å; N62-G230 VanDerWaalsContact ND2-N 3.19Å; N62-L233 HydrophobicContact CB-CD2 4.07Å
63V58.5Low64.6Low71 Ų7177.7 Ų77.743%0.4340%0.403SS..THydrogen-bonded Turntrans-55.8-20179.8-129.90000113.6Y59Y59-V63 HydrophobicContact CD1-CG1 4.25Å; Y59-V63 HydrophobicContact CE1-CG1 4.14Å
64L64.7Low65.1Low10 Ų1078.3 Ų78.35%0.05240%0.4CS..THydrogen-bonded Turntrans-82-20.1177.8-67.6-178.9000112.9N62 V66 Y81 V84 S115 M119N62-L64 PolarHBondContact O-N 3.28Å; N62-L64 WeakPolarHBondContact OD1-CB 3.36Å; N62-L64 PolarHBondContact OD1-N 2.73Å; L64-V66 VanDerWaalsContact C-N 3.32Å; L64-V66 PolarHBondContact O-N 3.5Å; L64-Y81 HydrophobicContact CB-CD2 4.23Å; L64-Y81 HydrophobicContact CB-CE2 3.53Å; L64-Y81 HydrophobicContact CD1-CE2 3.98Å; L64-Y81 HydrophobicContact CG-CE2 4.4Å; L64-V84 HydrophobicContact CD1-CG1 3.77Å; L64-V84 HydrophobicContact CD2-CG1 3.51Å; L64-V84 HydrophobicContact CG-CG1 4.24Å; L64-S115 VanDerWaalsContact CD2-CB 3.49Å; L64-S115 WeakPolarHBondContact CD2-O 3.48Å; L64-M119 HydrophobicContact CB-CE 3.94Å; L64-M119 HydrophobicContact CD2-CB 4.07Å; L64-M119 HydrophobicContact CD2-CE 4.33Å; L64-M119 WeakPolarHBondContact O-CE 3.21Å
65H58.4Low66.1Low11 Ų1179.4 Ų79.45%0.05140%0.399CS..THydrogen-bonded Turntrans-80.4-14.1-175.3-147.3-67.7000113.5N62 Y67 N68 L233 L234 E237N62-H65 HydrophobicContact CB-CB 4.1Å; N62-H65 WeakPolarHBondContact O-CB 3.3Å; N62-H65 PolarHBondContact O-N 2.85Å; H65-Y67 PolarHBondContact O-N 3.5Å; H65-Y67 VanDerWaalsContact O-N 3.08Å; H65-N68 PolarHBondContact CE1-ND2 3.39Å; H65-L233 HydrophobicContact CB-CD2 3.57Å; H65-L233 WeakPolarHBondContact CD2-CD2 3.5Å; H65-L234 WeakPolarHBondContact NE2-CD2 3.43Å; H65-L234 VanDerWaalsContact NE2-CG 3.3Å; H65-L234 WeakPolarHBondContact NE2-CG 3.4Å; H65-E237 IonicContact CE1-OE1 3.54Å; H65-E237 PolarHBondContact CE1-OE1 3.43Å; H65-E237 IonicContact CE1-OE2 3.41Å; H65-E237 PolarHBondContact CE1-OE2 2.89Å; H65-E237 IonicContact CG-OE1 2.67Å; H65-E237 IonicContact ND1-OE1 3.32Å; H65-E237 PolarHBondContact ND1-OE1 3.32Å; H65-E237 IonicContact ND1-OE2 2.82Å; H65-E237 PolarHBondContact ND1-OE2 3.23Å; H65-E237 IonicContact NE2-OE1 2.89Å; H65-E237 IonicContact NE2-OE2 2.7Å
66V54.3Low67.4Low81 Ų8180.4 Ų80.449%0.49139%0.393SS..THydrogen-bonded Turntrans-73.92.6-178-171.10000112.9L64L64-V66 VanDerWaalsContact C-N 3.32Å; L64-V66 PolarHBondContact O-N 3.5Å
67Y61.8Low69.3Low17 Ų1772.7 Ų72.77%0.06736%0.358CS..  trans-130.565.7179.7-50.4-77.8000113.1H65 D69 R80 Y112 M119 I120 N123H65-Y67 PolarHBondContact O-N 3.5Å; H65-Y67 VanDerWaalsContact O-N 3.08Å; Y67-D69 PolarHBondContact O-N 3.07Å; Y67-R80 PolarHBondContact O-NH1 2.94Å; Y67-Y112 HydrophobicContact CE1-CD2 4.5Å; Y67-Y112 HydrophobicContact CE1-CE2 4.04Å; Y67-Y112 AromaticContact CZ-CZ 3.97Å; Y67-Y112 WeakPolarHBondContact OH-CD1 3.42Å; Y67-Y112 WeakPolarHBondContact OH-CE1 3.26Å; Y67-Y112 PolarHBondContact OH-OH 3.26Å; Y67-M119 HydrophobicContact CD2-CB 4.48Å; Y67-M119 HydrophobicContact CD2-CG 4.22Å; Y67-I120 HydrophobicContact CD1-CD1 4.45Å; Y67-I120 HydrophobicContact CD1-CG1 4.12Å; Y67-I120 HydrophobicContact CE1-CD1 4.06Å; Y67-I120 HydrophobicContact CE1-CG1 4.24Å; Y67-I120 HydrophobicContact CG-CG1 4.26Å; Y67-N123 PolarHBondContact O-ND2 3.08Å
68N63.8Low71.4Confident72 Ų7266.1 Ų66.139%0.38533%0.327SS..  trans-82.141.3158.9-76.9-23.8000111.6H65 V70 R80H65-N68 PolarHBondContact CE1-ND2 3.39Å; N68-V70 PolarHBondContact O-N 3.05Å; N68-R80 PolarHBondContact OD1-NH2 2.67Å
69D74.1Confident73.8Confident43 Ų4361.9 Ų61.923%0.2330%0.297CS..  trans-79.7-2.2-177.673.2-19.7000113.1Y67 P107 N123 R127Y67-D69 PolarHBondContact O-N 3.07Å; D69-P107 HydrophobicContact CB-CG 3.76Å; D69-P107 WeakPolarHBondContact OD2-CG 3.34Å; D69-N123 VanDerWaalsContact OD1-CB 3.28Å; D69-N123 WeakPolarHBondContact OD1-CB 3.37Å; D69-N123 PolarHBondContact OD1-ND2 3.37Å; D69-R127 PolarHBondContact O-NH2 3.37Å; D69-R127 IonicContact OD1-NH1 2.6Å; D69-R127 IonicContact OD1-NH2 3.98Å; D69-R127 IonicContact OD2-CZ 2.79Å; D69-R127 IonicContact OD2-NH1 3.11Å; D69-R127 PolarHBondContact OD2-NH1 3.22Å; D69-R127 IonicContact OD2-NH2 3.66Å; D69-R127 PolarHBondContact OD2-NH2 2.86Å
70V84.7Confident76Confident13 Ų1354.7 Ų54.78%0.07927%0.269CS..SBendtrans-120.2130.6167.6-67.80000109.2N68 L72 N123 I126 R127N68-V70 PolarHBondContact O-N 3.05Å; V70-L72 HydrophobicContact CG2-CD1 4.08Å; V70-L72 HydrophobicContact CG2-CG 4.13Å; V70-L72 PolarHBondContact O-N 2.79Å; V70-N123 HydrophobicContact CG1-CB 4.01Å; V70-N123 WeakPolarHBondContact CG1-O 3.47Å; V70-N123 HydrophobicContact CG2-CB 4.17Å; V70-N123 WeakPolarHBondContact CG2-OD1 3.14Å; V70-I126 HydrophobicContact CB-CG2 4.34Å; V70-I126 HydrophobicContact CG1-CG2 4.37Å; V70-I126 HydrophobicContact CG2-CG2 4.4Å; V70-R127 HydrophobicContact CG1-CG 3.58Å
71K84.6Confident78.3Confident219 Ų21952.4 Ų52.495%0.95225%0.254SS*.  trans-76.8109175.2-68.1-172.8179.6-177.20109.4
72L89Confident80.4Confident43 Ų4341.8 Ų41.823%0.22521%0.214CC..  trans-117.3154.2174.7-68175.7000109.4V70 K76 S77 R80 I126V70-L72 HydrophobicContact CG2-CD1 4.08Å; V70-L72 HydrophobicContact CG2-CG 4.13Å; V70-L72 PolarHBondContact O-N 2.79Å; L72-K76 HydrophobicContact CB-CB 3.99Å; L72-K76 HydrophobicContact CD1-CB 4.49Å; L72-K76 HydrophobicContact CD2-CB 4.2Å; L72-K76 HydrophobicContact CD2-CD 4.37Å; L72-K76 HydrophobicContact CG-CB 4.46Å; L72-S77 WeakPolarHBondContact CB-OG 3.33Å; L72-R80 HydrophobicContact CD1-CB 4.26Å; L72-I126 HydrophobicContact CD1-CD1 4.18Å; L72-I126 HydrophobicContact CD2-CG2 4.09Å
73S92.1Very high82.2Confident64 Ų6441.3 Ų41.345%0.44821%0.212SC..  trans-64.8156.5165.664.90000109.8I75 K76 S77S73-I75 VanDerWaalsContact C-N 3.28Å; S73-I75 PolarHBondContact O-N 3.48Å; S73-K76 PolarHBondContact O-N 3.45Å; S73-K76 WeakPolarHBondContact OG-CG 3.16Å; S73-S77 PolarHBondContact O-N 3.46Å; S73-S77 PolarHBondContact O-OG 3.45Å
74F92.5Very high83.9Confident33 Ų3338 Ų3815%0.14519%0.191CC..Hα-helixtrans-48.7-47.3179.3173.5-118.7000113.4K76 S77 L78 Y183 L234 F235 N238 H240F74-K76 PolarHBondContact O-N 2.94Å; F74-S77 WeakPolarHBondContact O-CB 3.39Å; F74-S77 PolarHBondContact O-N 2.84Å; F74-L78 HydrophobicContact CD1-CD1 4.29Å; F74-L78 HydrophobicContact CD2-CD1 4.47Å; F74-L78 HydrophobicContact CE1-CD1 3.79Å; F74-L78 HydrophobicContact CE2-CD1 4Å; F74-L78 HydrophobicContact CE2-CG 4.27Å; F74-L78 HydrophobicContact CZ-CD1 3.65Å; F74-L78 HydrophobicContact CZ-CG 4.39Å; F74-L78 PolarHBondContact O-N 3.13Å; F74-L78 VanDerWaalsContact O-N 3.09Å; F74-Y183 HydrophobicContact CE1-CD2 4.1Å; F74-Y183 AromaticContact CE1-CE2 3.84Å; F74-Y183 HydrophobicContact CE1-CE2 3.84Å; F74-L234 HydrophobicContact CE2-CB 4.39Å; F74-F235 HydrophobicContact CE1-CE1 4.44Å; F74-F235 HydrophobicContact CE1-CE2 4.36Å; F74-F235 HydrophobicContact CE1-CZ 4.19Å; F74-F235 HydrophobicContact CE2-CD2 4.19Å; F74-F235 HydrophobicContact CE2-CE2 4.47Å; F74-F235 HydrophobicContact CE2-CG 4.44Å; F74-F235 HydrophobicContact CZ-CD1 4.07Å; F74-F235 AromaticContact CZ-CD2 3.64Å; F74-F235 HydrophobicContact CZ-CD2 3.64Å; F74-F235 HydrophobicContact CZ-CE1 4.01Å; F74-F235 AromaticContact CZ-CE2 3.58Å; F74-F235 HydrophobicContact CZ-CE2 3.58Å; F74-F235 AromaticContact CZ-CG 3.89Å; F74-F235 HydrophobicContact CZ-CG 3.89Å; F74-F235 AromaticContact CZ-CZ 3.77Å; F74-F235 HydrophobicContact CZ-CZ 3.77Å; F74-N238 HydrophobicContact CD2-CB 3.64Å; F74-N238 HydrophobicContact CE2-CB 4.07Å; F74-N238 HydrophobicContact CG-CB 4.34Å; F74-H240 AromaticContact CD1-CD2 3.8Å; F74-H240 AromaticContact CE1-CD2 3.29Å; F74-H240 WeakPolarHBondContact CE1-CD2 3.48Å; F74-H240 AromaticContact CE1-NE2 3.81Å; F74-H240 HydrophobicContact CZ-CB 4.33Å; F74-H240 AromaticContact CZ-CD2 3.88Å
75I94.7Very high85.3Confident63 Ų6337.6 Ų37.632%0.32319%0.19SC..Hα-helixtrans-60.7-46.4177.4-64.9176000111.2S73 S77 L78 D79 H181 Y183S73-I75 VanDerWaalsContact C-N 3.28Å; S73-I75 PolarHBondContact O-N 3.48Å; I75-S77 VanDerWaalsContact C-N 3.29Å; I75-S77 PolarHBondContact O-N 2.86Å; I75-L78 WeakPolarHBondContact O-CB 3.25Å; I75-L78 PolarHBondContact O-N 3.13Å; I75-D79 PolarHBondContact O-N 3.19Å; I75-H181 HydrophobicContact CG2-CB 4.22Å; I75-Y183 HydrophobicContact CD1-CD1 4.32Å; I75-Y183 HydrophobicContact CG1-CD1 4.39Å; I75-Y183 HydrophobicContact CG1-CD2 4.46Å; I75-Y183 HydrophobicContact CG1-CG 4.1Å
76K93.2Very high87Confident110 Ų11037.2 Ų37.248%0.47819%0.188SC..Hα-helixtrans-66.5-31.4179-71.8-177.6179.6-1780112.4L72 S73 F74 D79 R80L72-K76 HydrophobicContact CB-CB 3.99Å; L72-K76 HydrophobicContact CD1-CB 4.49Å; L72-K76 HydrophobicContact CD2-CB 4.2Å; L72-K76 HydrophobicContact CD2-CD 4.37Å; L72-K76 HydrophobicContact CG-CB 4.46Å; S73-K76 PolarHBondContact O-N 3.45Å; S73-K76 WeakPolarHBondContact OG-CG 3.16Å; F74-K76 PolarHBondContact O-N 2.94Å; K76-D79 PolarHBondContact O-N 3.42Å; K76-R80 WeakPolarHBondContact O-CB 3.32Å; K76-R80 PolarHBondContact O-N 3.04Å
77S92.5Very high88.9Confident7 Ų733.3 Ų33.35%0.04917%0.165CC..Hα-helixtrans-64.3-42.4173.1-64.50000111.5L72 S73 F74 I75 Y81L72-S77 WeakPolarHBondContact CB-OG 3.33Å; S73-S77 PolarHBondContact O-N 3.46Å; S73-S77 PolarHBondContact O-OG 3.45Å; F74-S77 WeakPolarHBondContact O-CB 3.39Å; F74-S77 PolarHBondContact O-N 2.84Å; I75-S77 VanDerWaalsContact C-N 3.29Å; I75-S77 PolarHBondContact O-N 2.86Å; S77-Y81 WeakPolarHBondContact O-CB 3.31Å; S77-Y81 PolarHBondContact O-N 3Å
78L94.4Very high90.3Very high0 Ų033.7 Ų33.70%017%0.169CC..Hα-helixtrans-64.1-44.9174.1-71.2167000112F74 I75 Y81 F82 Y183 I186 V231 L234 F235F74-L78 HydrophobicContact CD1-CD1 4.29Å; F74-L78 HydrophobicContact CD2-CD1 4.47Å; F74-L78 HydrophobicContact CE1-CD1 3.79Å; F74-L78 HydrophobicContact CE2-CD1 4Å; F74-L78 HydrophobicContact CE2-CG 4.27Å; F74-L78 HydrophobicContact CZ-CD1 3.65Å; F74-L78 HydrophobicContact CZ-CG 4.39Å; F74-L78 PolarHBondContact O-N 3.13Å; F74-L78 VanDerWaalsContact O-N 3.09Å; I75-L78 WeakPolarHBondContact O-CB 3.25Å; I75-L78 PolarHBondContact O-N 3.13Å; L78-Y81 PolarHBondContact O-N 3.39Å; L78-F82 WeakPolarHBondContact O-CB 3.46Å; L78-F82 PolarHBondContact O-N 3.11Å; L78-Y183 HydrophobicContact CD1-CD2 3.73Å; L78-I186 HydrophobicContact CD1-CD1 3.94Å; L78-I186 HydrophobicContact CD2-CD1 3.92Å; L78-I186 HydrophobicContact CG-CD1 4.43Å; L78-V231 HydrophobicContact CD2-CB 4.41Å; L78-V231 HydrophobicContact CD2-CG1 4.17Å; L78-V231 HydrophobicContact CD2-CG2 4.12Å; L78-L234 HydrophobicContact CD2-CB 4.07Å; L78-L234 HydrophobicContact CD2-CD1 3.7Å; L78-L234 HydrophobicContact CG-CD1 4.3Å; L78-F235 HydrophobicContact CD1-CE2 4.21Å; L78-F235 HydrophobicContact CD2-CE2 4.39Å
79D94.9Very high91.6Very high2 Ų231 Ų311%0.01115%0.154CC..Hα-helixtrans-61.4-48.5178.8-65.6-25.3000111.5I75 K76 Y81 F82 F83 H181 F182I75-D79 PolarHBondContact O-N 3.19Å; K76-D79 PolarHBondContact O-N 3.42Å; D79-Y81 VanDerWaalsContact C-N 3.31Å; D79-Y81 PolarHBondContact O-N 3.48Å; D79-F82 WeakPolarHBondContact O-CB 3.45Å; D79-F82 PolarHBondContact O-N 2.7Å; D79-F83 WeakPolarHBondContact O-CD2 3.18Å; D79-F83 PolarHBondContact O-N 3.06Å; D79-H181 WeakPolarHBondContact OD1-CA 3.34Å; D79-H181 IonicContact OD1-ND1 2.68Å; D79-H181 IonicContact OD2-CE1 3.9Å; D79-H181 IonicContact OD2-CG 3.14Å; D79-H181 IonicContact OD2-ND1 3.61Å; D79-H181 PolarHBondContact OD2-ND1 3.21Å; D79-F182 PolarHBondContact OD1-N 3.07Å
80R93.3Very high92.2Very high5 Ų531.9 Ų31.92%0.01916%0.164CC..Hα-helixtrans-56.2-48.6174.7178.3-16960.3179.1-1.9110.5Y67 N68 L72 K76 F82 F83 V84 M119 I122 N123 I126Y67-R80 PolarHBondContact O-NH1 2.94Å; N68-R80 PolarHBondContact OD1-NH2 2.67Å; L72-R80 HydrophobicContact CD1-CB 4.26Å; K76-R80 WeakPolarHBondContact O-CB 3.32Å; K76-R80 PolarHBondContact O-N 3.04Å; R80-F82 VanDerWaalsContact C-N 3.33Å; R80-F82 PolarHBondContact O-N 2.89Å; R80-F83 PolarHBondContact O-N 3.34Å; R80-V84 HydrophobicContact CG-CG2 4.19Å; R80-V84 WeakPolarHBondContact O-CB 3.26Å; R80-V84 WeakPolarHBondContact O-CG2 3.26Å; R80-V84 PolarHBondContact O-N 3.49Å; R80-M119 HydrophobicContact CG-SD 4.26Å; R80-I122 HydrophobicContact CG-CG2 3.92Å; R80-N123 WeakPolarHBondContact CD-OD1 3.4Å; R80-N123 PolarHBondContact NH1-OD1 3.24Å; R80-I126 HydrophobicContact CG-CD1 4.3Å
81Y93.2Very high92.2Very high4 Ų433.9 Ų33.92%0.01617%0.172CC..Hα-helixtrans-61.5-42.1-177.7-172.5-89.7000111.8N62 L64 S77 L78 D79 T85 M119 L226 L227 L234N62-Y81 PolarHBondContact ND2-OH 3.02Å; N62-Y81 PolarHBondContact OD1-OH 3.02Å; L64-Y81 HydrophobicContact CB-CD2 4.23Å; L64-Y81 HydrophobicContact CB-CE2 3.53Å; L64-Y81 HydrophobicContact CD1-CE2 3.98Å; L64-Y81 HydrophobicContact CG-CE2 4.4Å; S77-Y81 WeakPolarHBondContact O-CB 3.31Å; S77-Y81 PolarHBondContact O-N 3Å; L78-Y81 PolarHBondContact O-N 3.39Å; D79-Y81 VanDerWaalsContact C-N 3.31Å; D79-Y81 PolarHBondContact O-N 3.48Å; Y81-T85 WeakPolarHBondContact O-CB 3.11Å; Y81-T85 PolarHBondContact O-N 3.38Å; Y81-T85 PolarHBondContact O-OG1 3.46Å; Y81-M119 HydrophobicContact CD2-CE 4.31Å; Y81-L226 PolarHBondContact OH-O 2.83Å; Y81-L226 VanDerWaalsContact OH-O 3.13Å; Y81-L227 HydrophobicContact CD1-CD1 3.67Å; Y81-L227 HydrophobicContact CE1-CD1 3.75Å; Y81-L234 HydrophobicContact CD1-CD1 4.43Å; Y81-L234 HydrophobicContact CD2-CD1 4.3Å; Y81-L234 HydrophobicContact CG-CD1 3.92Å
82F96Very high91.9Very high0 Ų031 Ų310%016%0.155CC..Hα-helixtrans-57.2-52.8173.4169-102.3000112.3L78 D79 R80 V84 T85 C86 A170 L174 F182 L200 F204 F207 L227L78-F82 WeakPolarHBondContact O-CB 3.46Å; L78-F82 PolarHBondContact O-N 3.11Å; D79-F82 WeakPolarHBondContact O-CB 3.45Å; D79-F82 PolarHBondContact O-N 2.7Å; R80-F82 VanDerWaalsContact C-N 3.33Å; R80-F82 PolarHBondContact O-N 2.89Å; F82-V84 PolarHBondContact O-N 2.98Å; F82-T85 PolarHBondContact O-N 3.41Å; F82-C86 PolarHBondContact O-N 3.07Å; F82-C86 PolarHBondContact O-SG 2.87Å; F82-A170 HydrophobicContact CE1-CB 3.87Å; F82-A170 HydrophobicContact CZ-CB 4Å; F82-L174 HydrophobicContact CD1-CD1 3.7Å; F82-L174 HydrophobicContact CE1-CD1 3.51Å; F82-L174 HydrophobicContact CE1-CG 4.02Å; F82-L174 HydrophobicContact CZ-CD1 4.44Å; F82-F182 HydrophobicContact CB-CB 3.93Å; F82-F182 HydrophobicContact CB-CD1 3.73Å; F82-F182 HydrophobicContact CB-CD2 4.17Å; F82-F182 HydrophobicContact CB-CE1 4.29Å; F82-F182 HydrophobicContact CB-CG 3.66Å; F82-F182 HydrophobicContact CD1-CB 4.39Å; F82-F182 HydrophobicContact CD1-CD2 4.46Å; F82-F182 HydrophobicContact CD1-CG 4.48Å; F82-F182 HydrophobicContact CD2-CD1 4.27Å; F82-F182 AromaticContact CD2-CD2 3.38Å; F82-F182 HydrophobicContact CD2-CD2 3.38Å; F82-F182 HydrophobicContact CD2-CE1 4.34Å; F82-F182 AromaticContact CD2-CE2 3.51Å; F82-F182 HydrophobicContact CD2-CE2 3.51Å; F82-F182 AromaticContact CD2-CG 3.81Å; F82-F182 HydrophobicContact CD2-CG 3.81Å; F82-F182 HydrophobicContact CD2-CZ 4.01Å; F82-F182 AromaticContact CE2-CD2 3.83Å; F82-F182 HydrophobicContact CE2-CD2 3.83Å; F82-F182 AromaticContact CE2-CE2 3.89Å; F82-F182 HydrophobicContact CE2-CE2 3.89Å; F82-F182 HydrophobicContact CG-CB 4.04Å; F82-F182 HydrophobicContact CG-CD1 4.23Å; F82-F182 AromaticContact CG-CD2 3.74Å; F82-F182 HydrophobicContact CG-CD2 3.74Å; F82-F182 HydrophobicContact CG-CE2 4.29Å; F82-F182 AromaticContact CG-CG 3.73Å; F82-F182 HydrophobicContact CG-CG 3.73Å; F82-L200 HydrophobicContact CE2-CD2 4.33Å; F82-F204 HydrophobicContact CE1-CE1 4.26Å; F82-F204 HydrophobicContact CE2-CD1 4.35Å; F82-F204 HydrophobicContact CE2-CE1 4.27Å; F82-F204 HydrophobicContact CE2-CZ 4.36Å; F82-F204 AromaticContact CZ-CD1 3.7Å; F82-F204 HydrophobicContact CZ-CD1 3.7Å; F82-F204 AromaticContact CZ-CE1 3.47Å; F82-F204 HydrophobicContact CZ-CE1 3.47Å; F82-F204 VanDerWaalsContact CZ-CE1 3.47Å; F82-F204 HydrophobicContact CZ-CE2 4.48Å; F82-F204 HydrophobicContact CZ-CG 4.3Å; F82-F204 AromaticContact CZ-CZ 3.89Å; F82-F204 HydrophobicContact CZ-CZ 3.89Å; F82-F207 HydrophobicContact CD2-CZ 4.42Å; F82-F207 AromaticContact CE2-CE2 3.8Å; F82-F207 HydrophobicContact CE2-CE2 3.8Å; F82-F207 HydrophobicContact CE2-CZ 4.07Å; F82-F207 HydrophobicContact CZ-CE2 4.45Å; F82-L227 HydrophobicContact CB-CD1 4.39Å; F82-L227 HydrophobicContact CD2-CD1 4.45Å; F82-L227 HydrophobicContact CD2-CD2 3.77Å; F82-L227 HydrophobicContact CE2-CD2 4.27Å
83F95.5Very high91.2Very high0 Ų035 Ų350%017%0.171CC..Hα-helixtrans-64.8-42.5-179.3-72.6-62.1000112.9D79 R80 T85 C86 I87 F132 P134 I137 I167 A170 A171 L174D79-F83 WeakPolarHBondContact O-CD2 3.18Å; D79-F83 PolarHBondContact O-N 3.06Å; R80-F83 PolarHBondContact O-N 3.34Å; F83-T85 PolarHBondContact O-N 2.95Å; F83-C86 WeakPolarHBondContact O-CB 3.18Å; F83-C86 PolarHBondContact O-N 3.45Å; F83-I87 WeakPolarHBondContact O-CG1 3.11Å; F83-I87 PolarHBondContact O-N 3.42Å; F83-F132 HydrophobicContact CB-CD1 4.01Å; F83-F132 HydrophobicContact CB-CE1 3.47Å; F83-F132 VanDerWaalsContact CB-CE1 3.47Å; F83-F132 HydrophobicContact CB-CZ 4.46Å; F83-F132 HydrophobicContact CD2-CD1 4.14Å; F83-F132 HydrophobicContact CD2-CE1 4.32Å; F83-F132 HydrophobicContact CG-CD1 4.34Å; F83-F132 HydrophobicContact CG-CE1 4.05Å; F83-P134 HydrophobicContact CE2-CG 4.35Å; F83-P134 HydrophobicContact CZ-CG 3.89Å; F83-I137 HydrophobicContact CD1-CD1 3.89Å; F83-I137 HydrophobicContact CD2-CD1 4.04Å; F83-I137 HydrophobicContact CE1-CD1 3.56Å; F83-I137 HydrophobicContact CE2-CD1 3.73Å; F83-I137 HydrophobicContact CG-CD1 4.11Å; F83-I137 HydrophobicContact CZ-CD1 3.47Å; F83-I137 VanDerWaalsContact CZ-CD1 3.47Å; F83-I167 HydrophobicContact CD1-CG2 4.05Å; F83-I167 HydrophobicContact CE1-CG2 4.34Å; F83-A170 HydrophobicContact CE1-CB 4.29Å; F83-A171 HydrophobicContact CE1-CB 3.94Å; F83-A171 HydrophobicContact CZ-CB 4.06Å; F83-L174 HydrophobicContact CE1-CD1 4.37Å; F83-L174 HydrophobicContact CE2-CD1 4.37Å; F83-L174 HydrophobicContact CZ-CD1 3.88Å
84V93.8Very high90.5Very high0 Ų035.9 Ų35.90%018%0.182CC..Hα-helixtrans-58.2-42175.6175.90000110.1L64 R80 F82 I87 S88 V118 M119 I122L64-V84 HydrophobicContact CD1-CG1 3.77Å; L64-V84 HydrophobicContact CD2-CG1 3.51Å; L64-V84 HydrophobicContact CG-CG1 4.24Å; R80-V84 HydrophobicContact CG-CG2 4.19Å; R80-V84 WeakPolarHBondContact O-CB 3.26Å; R80-V84 WeakPolarHBondContact O-CG2 3.26Å; R80-V84 PolarHBondContact O-N 3.49Å; F82-V84 PolarHBondContact O-N 2.98Å; V84-I87 CarbonylContact O-C 3.47Å; V84-I87 PolarHBondContact O-N 2.86Å; V84-S88 WeakPolarHBondContact O-CB 3.5Å; V84-S88 PolarHBondContact O-N 3.36Å; V84-S88 PolarHBondContact O-OG 3.34Å; V84-V118 HydrophobicContact CG1-CG1 4.21Å; V84-M119 HydrophobicContact CB-CE 4.12Å; V84-M119 HydrophobicContact CG1-CB 4.34Å; V84-M119 HydrophobicContact CG1-CE 4.02Å; V84-M119 HydrophobicContact CG2-CE 3.81Å; V84-M119 HydrophobicContact CG2-SD 3.76Å; V84-I122 HydrophobicContact CB-CD1 4.37Å; V84-I122 HydrophobicContact CG2-CB 4.44Å; V84-I122 HydrophobicContact CG2-CD1 3.45Å; V84-I122 VanDerWaalsContact CG2-CD1 3.45Å; V84-I122 HydrophobicContact CG2-CG2 4.37Å
85T94.2Very high90Very high3 Ų340.8 Ų40.82%0.01821%0.205CC..Hα-helixtrans-67.2-38.8179.8-560000112Y81 F82 F83 I87 S88 F207 R223 L227Y81-T85 WeakPolarHBondContact O-CB 3.11Å; Y81-T85 PolarHBondContact O-N 3.38Å; Y81-T85 PolarHBondContact O-OG1 3.46Å; F82-T85 PolarHBondContact O-N 3.41Å; F83-T85 PolarHBondContact O-N 2.95Å; T85-I87 PolarHBondContact O-N 3.35Å; T85-S88 PolarHBondContact O-N 3.22Å; T85-S88 VanDerWaalsContact O-N 3.14Å; T85-F207 HydrophobicContact CG2-CE1 4.25Å; T85-R223 HydrophobicContact CG2-CG 3.85Å; T85-R223 WeakPolarHBondContact O-CD 3.29Å; T85-L227 HydrophobicContact CG2-CB 3.81Å
86C95.2Very high89.4Confident2 Ų240.6 Ų40.61%0.01421%0.207CC..Hα-helixtrans-54.2-37.6174.2-68.80000112.1F82 F83 F89 I166F82-C86 PolarHBondContact O-N 3.07Å; F82-C86 PolarHBondContact O-SG 2.87Å; F83-C86 WeakPolarHBondContact O-CB 3.18Å; F83-C86 PolarHBondContact O-N 3.45Å; C86-F89 WeakPolarHBondContact O-CE1 3.49Å; C86-I166 HydrophobicContact CB-CG2 3.88Å
87I94.3Very high89.1Confident0 Ų040.6 Ų40.60%022%0.218CC..THydrogen-bonded Turntrans-106.121.8-179.862.2151.9000114.7F83 V84 T85 F89 V118 I122 M149 R163 I166 I167F83-I87 WeakPolarHBondContact O-CG1 3.11Å; F83-I87 PolarHBondContact O-N 3.42Å; V84-I87 CarbonylContact O-C 3.47Å; V84-I87 PolarHBondContact O-N 2.86Å; T85-I87 PolarHBondContact O-N 3.35Å; I87-F89 HydrophobicContact CB-CE1 4.47Å; I87-F89 PolarHBondContact O-N 3.21Å; I87-V118 HydrophobicContact CD1-CG1 3.44Å; I87-V118 VanDerWaalsContact CD1-CG1 3.44Å; I87-V118 HydrophobicContact CG1-CG1 3.97Å; I87-I122 HydrophobicContact CD1-CD1 4.27Å; I87-M149 HydrophobicContact CD1-CE 4.47Å; I87-R163 HydrophobicContact CB-CB 4.13Å; I87-R163 HydrophobicContact CB-CG 3.96Å; I87-R163 HydrophobicContact CG2-CB 3.71Å; I87-R163 HydrophobicContact CG2-CG 3.99Å; I87-R163 WeakPolarHBondContact CG2-O 3.44Å; I87-R163 PolarHBondContact O-NH1 2.77Å; I87-I166 HydrophobicContact CG2-CG2 4.28Å; I87-I167 HydrophobicContact CB-CD1 4.22Å; I87-I167 HydrophobicContact CB-CG1 4.5Å; I87-I167 HydrophobicContact CD1-CD1 3.63Å; I87-I167 HydrophobicContact CG1-CD1 3.88Å; I87-I167 HydrophobicContact CG1-CG1 4.43Å; I87-I167 HydrophobicContact CG2-CD1 3.43Å; I87-I167 VanDerWaalsContact CG2-CD1 3.43Å; I87-I167 HydrophobicContact CG2-CG1 3.37Å
88S91.2Very high88.7Confident24 Ų2444.3 Ų44.317%0.16826%0.258CS..  trans-95.272176-72.80000111.7V84 T85V84-S88 WeakPolarHBondContact O-CB 3.5Å; V84-S88 PolarHBondContact O-N 3.36Å; V84-S88 PolarHBondContact O-OG 3.34Å; T85-S88 PolarHBondContact O-N 3.22Å; T85-S88 VanDerWaalsContact O-N 3.14Å
89F90Very high88.3Confident15 Ų1548.6 Ų48.67%0.06628%0.278CS..  trans-146.7167.7179.662.3-92.4000112.7C86 I87 F91 M159 R163 I166 R206C86-F89 WeakPolarHBondContact O-CE1 3.49Å; I87-F89 HydrophobicContact CB-CE1 4.47Å; I87-F89 PolarHBondContact O-N 3.21Å; F89-F91 PolarHBondContact O-N 3.14Å; F89-M159 HydrophobicContact CD2-SD 4.37Å; F89-M159 HydrophobicContact CE2-CB 4.37Å; F89-M159 HydrophobicContact CE2-CE 4.26Å; F89-M159 HydrophobicContact CE2-SD 4.02Å; F89-R163 HydrophobicContact CE1-CG 3.95Å; F89-R163 HydrophobicContact CE2-CG 4.35Å; F89-R163 HydrophobicContact CZ-CG 3.61Å; F89-R163 PolarHBondContact O-NH1 3.07Å; F89-R163 PolarHBondContact O-NH2 2.7Å; F89-I166 HydrophobicContact CE1-CD1 3.52Å; F89-I166 HydrophobicContact CZ-CD1 3.49Å; F89-I166 VanDerWaalsContact CZ-CD1 3.49Å; F89-R206 VanDerWaalsContact CD1-NH2 3.27Å
90S85.8Confident87.9Confident63 Ų6350.9 Ų50.944%0.44129%0.292SS..  trans41.862.8169.5-55.50000115.8W92 M159 R163S90-W92 VanDerWaalsContact C-N 3.34Å; S90-M159 WeakPolarHBondContact CB-SD 3.25Å; S90-R163 PolarHBondContact O-NH2 3.32Å
91F84.8Confident87.7Confident55 Ų5557 Ų5724%0.24132%0.319CS..  trans-88.8-2.2179.3-61.8-70.2000114.4F89 G114 S115 V118 L157F89-F91 PolarHBondContact O-N 3.14Å; F91-G114 VanDerWaalsContact CE1-C 3.43Å; F91-G114 VanDerWaalsContact CZ-C 3.46Å; F91-S115 WeakPolarHBondContact CE2-OG 3.28Å; F91-S115 VanDerWaalsContact CZ-N 3.26Å; F91-S115 WeakPolarHBondContact CZ-OG 3.48Å; F91-V118 HydrophobicContact CE1-CG2 3.62Å; F91-V118 HydrophobicContact CZ-CG2 4.14Å; F91-L157 HydrophobicContact CD1-CD1 4.01Å; F91-L157 HydrophobicContact CE1-CD1 4.03Å
92W78.5Confident87.7Confident157 Ų15758 Ų5860%0.59532%0.323SS*.  trans-93.1129.7-179.9-57.598.5000109.3S90S90-W92 VanDerWaalsContact C-N 3.34Å
93K75.7Confident87.6Confident128 Ų12859.4 Ų59.456%0.55733%0.33SS*.  trans-120.6145.3168.7-168.2-177.1179.3-173.40107.1H95 E99 P158K93-H95 PolarHBondContact O-N 2.94Å; K93-E99 IonicContact NZ-OE1 3.37Å; K93-E99 IonicContact NZ-OE2 2.95Å; K93-E99 PolarHBondContact NZ-OE2 2.98Å; K93-P158 HydrophobicContact CB-CG 4.27Å
94A77.1Confident87.4Confident83 Ų8359.5 Ų59.569%0.68633%0.331SS*.  trans-51.8136.8166.800000109V96A94-V96 PolarHBondContact O-N 2.98Å
95H80.7Confident87.3Confident135 Ų13564.1 Ų64.163%0.62535%0.351SS*.  trans-68.4119.6177.3177.354.6000109K93K93-H95 PolarHBondContact O-N 2.94Å
96V84Confident87.1Confident59 Ų5964.3 Ų64.336%0.35835%0.354SS..  trans-107121.1170.2-177.20000106.9A94 G98 E99A94-V96 PolarHBondContact O-N 2.98Å; V96-G98 PolarHBondContact O-N 3.02Å; V96-E99 HydrophobicContact CB-CB 4.07Å; V96-E99 HydrophobicContact CB-CG 3.86Å; V96-E99 HydrophobicContact CG1-CG 3.84Å; V96-E99 PolarHBondContact O-N 3.3Å
97P85.2Confident86.6Confident111 Ų11168 Ų6872%0.72138%0.378SS*.THydrogen-bonded Turntrans-52.7134.1176.6-27.635.6000111.5E99P97-E99 PolarHBondContact O-N 3.49Å
98G85.4Confident86.2Confident85 Ų8572.1 Ų72.188%0.87640%0.4SS*.THydrogen-bonded Turntrans82.2-16.4-177.600000115.4V96V96-G98 PolarHBondContact O-N 3.02Å
99E85.8Confident86.1Confident90 Ų9072.6 Ų72.642%0.42141%0.408SS..PPolyproline II helixtrans-85.5126.3176.8-69.1-167.4-175.900112.3K93 V96 P97 K101K93-E99 IonicContact NZ-OE1 3.37Å; K93-E99 IonicContact NZ-OE2 2.95Å; K93-E99 PolarHBondContact NZ-OE2 2.98Å; V96-E99 HydrophobicContact CB-CB 4.07Å; V96-E99 HydrophobicContact CB-CG 3.86Å; V96-E99 HydrophobicContact CG1-CG 3.84Å; V96-E99 PolarHBondContact O-N 3.3Å; P97-E99 PolarHBondContact O-N 3.49Å; E99-K101 PolarHBondContact O-N 2.86Å
100P87Confident86.1Confident49 Ų4976.3 Ų76.332%0.31843%0.429SS..PPolyproline II helixtrans-67.2132.1175.925.2-31.5000111.3Y102 R153 A155P100-Y102 PolarHBondContact O-N 2.77Å; P100-R153 HydrophobicContact CB-CB 4.4Å; P100-R153 VanDerWaalsContact CB-CZ 3.49Å; P100-R153 HydrophobicContact CG-CB 4.2Å; P100-A155 HydrophobicContact CB-CB 4.24Å; P100-A155 HydrophobicContact CG-CB 3.88Å
101K88.3Confident86.3Confident135 Ų13578.5 Ų78.559%0.58744%0.435SS*.PPolyproline II helixtrans-63.3132.4166.7-67.9-177.4-179.9177.50109.4E99 M103 R153E99-K101 PolarHBondContact O-N 2.86Å; K101-M103 WeakPolarHBondContact O-CG 3.26Å; K101-M103 PolarHBondContact O-N 3.25Å; K101-R153 PolarHBondContact O-NH2 2.97Å
102Y92.6Very high86.6Confident23 Ų2378.5 Ų78.59%0.0943%0.434CS..PPolyproline II helixtrans-55.9124.3177.7-179.9-98.6000112.3P100 A117 R121 M149 D151 A155 L157P100-Y102 PolarHBondContact O-N 2.77Å; Y102-A117 HydrophobicContact CD1-CB 4.29Å; Y102-A117 HydrophobicContact CE1-CB 3.69Å; Y102-R121 WeakPolarHBondContact OH-CG 3.36Å; Y102-M149 WeakPolarHBondContact CE2-O 3.02Å; Y102-M149 PolarHBondContact OH-O 2.98Å; Y102-D151 HydrophobicContact CD2-CB 4.26Å; Y102-D151 HydrophobicContact CE2-CB 4.18Å; Y102-A155 HydrophobicContact CD2-CB 4.47Å; Y102-A155 WeakPolarHBondContact CD2-O 3.25Å; Y102-L157 HydrophobicContact CD1-CB 4.46Å; Y102-L157 HydrophobicContact CD1-CD1 3.61Å; Y102-L157 HydrophobicContact CD2-CB 4.11Å; Y102-L157 HydrophobicContact CE1-CB 4.28Å; Y102-L157 HydrophobicContact CE1-CD1 3.52Å; Y102-L157 HydrophobicContact CE1-CG 4.39Å; Y102-L157 HydrophobicContact CE2-CB 3.95Å; Y102-L157 HydrophobicContact CG-CB 4.36Å; Y102-L157 HydrophobicContact CG-CD1 4.22Å
103M93.7Very high87.2Confident30 Ų3077.1 Ų77.115%0.14843%0.432CS..  trans-149.2150.6178-61.7-172.2-55.300110.8K101 L111 Y112 K113 D151K101-M103 WeakPolarHBondContact O-CG 3.26Å; K101-M103 PolarHBondContact O-N 3.25Å; M103-L111 HydrophobicContact CE-CB 4.44Å; M103-L111 HydrophobicContact CE-CD1 3.8Å; M103-L111 HydrophobicContact SD-CB 4.36Å; M103-Y112 CarbonylContact C-O 3.54Å; M103-Y112 WeakPolarHBondContact CA-O 3.4Å; M103-Y112 WeakPolarHBondContact CB-O 3.29Å; M103-K113 HydrophobicContact CG-CD 4.47Å; M103-K113 HydrophobicContact CG-CG 3.69Å; M103-K113 HydrophobicContact SD-CD 4.41Å; M103-K113 WeakPolarHBondContact SD-CE 3.31Å; M103-K113 HydrophobicContact SD-CG 4.14Å; M103-D151 PolarHBondContact N-OD2 3.46Å; M103-D151 WeakPolarHBondContact O-CB 3.39Å
104A92.6Very high87.8Confident3 Ų371.9 Ų71.93%0.02541%0.414CS..EExtended strand (participates in β ladder)trans-118.9139.1172.700000111Y112 A117 I120 R121A104-Y112 PolarHBondContact N-O 3.33Å; A104-Y112 PolarHBondContact O-N 2.82Å; A104-A117 HydrophobicContact CB-CB 3.84Å; A104-I120 HydrophobicContact CB-CB 4Å; A104-I120 HydrophobicContact CB-CD1 4.47Å; A104-I120 HydrophobicContact CB-CG2 3.74Å; A104-R121 HydrophobicContact CB-CG 4.23Å
105K91.3Very high88.4Confident96 Ų9669.3 Ų69.342%0.41739%0.392SS..EExtended strand (participates in β ladder)trans-80.9120.2173.2-168.7174.6-179.2173.30109.4G109 N110 L111 I120 Q124K105-G109 VanDerWaalsContact CE-CA 3.47Å; K105-G109 WeakPolarHBondContact CE-O 3.31Å; K105-N110 CarbonylContact C-O 3.56Å; K105-N110 VanDerWaalsContact CA-O 3.32Å; K105-N110 WeakPolarHBondContact CA-O 3.42Å; K105-L111 HydrophobicContact CB-CD2 4.02Å; K105-L111 HydrophobicContact CG-CD2 4.43Å; K105-I120 WeakPolarHBondContact O-CG2 3.38Å; K105-Q124 PolarHBondContact O-NE2 3.24Å
106G88.8Confident88.8Confident8 Ų863.5 Ų63.58%0.08237%0.366CS..  trans-76172.7176.300000112.8D108 G109 N110G106-D108 PolarHBondContact O-N 2.89Å; G106-G109 PolarHBondContact O-N 3.48Å; G106-G109 VanDerWaalsContact O-N 3.11Å; G106-N110 PolarHBondContact N-O 2.95Å
107P85Confident89.2Confident80 Ų8060.7 Ų60.752%0.51935%0.349SS..THydrogen-bonded Turntrans-62.6-28.4177-21.132.7000114D69 G109D69-P107 HydrophobicContact CB-CG 3.76Å; D69-P107 WeakPolarHBondContact OD2-CG 3.34Å; P107-G109 PolarHBondContact O-N 3.04Å
108D86.1Confident89.5Confident86 Ų8655.4 Ų55.446%0.4632%0.315SS..THydrogen-bonded Turntrans-75.4-4.617668-17.7000113.4G106 N110 Y112G106-D108 PolarHBondContact O-N 2.89Å; D108-N110 PolarHBondContact OD1-N 3.27Å; D108-N110 WeakPolarHBondContact OD2-CB 3.22Å; D108-N110 PolarHBondContact OD2-ND2 3.04Å; D108-Y112 WeakPolarHBondContact OD1-CE2 3.48Å; D108-Y112 PolarHBondContact OD2-OH 3.32Å
109G89.3Confident89.9Confident33 Ų3351.4 Ų51.434%0.3427%0.273SS..SBendtrans88.5-5.4-178.700000115K105 G106 P107K105-G109 VanDerWaalsContact CE-CA 3.47Å; K105-G109 WeakPolarHBondContact CE-O 3.31Å; G106-G109 PolarHBondContact O-N 3.48Å; G106-G109 VanDerWaalsContact O-N 3.11Å; P107-G109 PolarHBondContact O-N 3.04Å
110N90.1Very high90.2Very high93 Ų9347.1 Ų47.150%0.49725%0.253SS..  trans-80.8157.1-179.1-70.2-44.9000112.4K105 G106 D108 Y112K105-N110 CarbonylContact C-O 3.56Å; K105-N110 VanDerWaalsContact CA-O 3.32Å; K105-N110 WeakPolarHBondContact CA-O 3.42Å; G106-N110 PolarHBondContact N-O 2.95Å; D108-N110 PolarHBondContact OD1-N 3.27Å; D108-N110 WeakPolarHBondContact OD2-CB 3.22Å; D108-N110 PolarHBondContact OD2-ND2 3.04Å; N110-Y112 HydrophobicContact CB-CE2 3.83Å; N110-Y112 WeakPolarHBondContact O-CD2 3.44Å
111L91.2Very high90.5Very high109 Ų10946.5 Ų46.557%0.57125%0.245SC*.EExtended strand (participates in β ladder)trans-97.6122.7177.6-67.9172.3000110.7M103 K105M103-L111 HydrophobicContact CE-CB 4.44Å; M103-L111 HydrophobicContact CE-CD1 3.8Å; M103-L111 HydrophobicContact SD-CB 4.36Å; K105-L111 HydrophobicContact CB-CD2 4.02Å; K105-L111 HydrophobicContact CG-CD2 4.43Å
112Y90.5Very high90.7Very high55 Ų5540.1 Ų40.122%0.21622%0.217CC..EExtended strand (participates in β ladder)trans-111.6152.6-178.5-64.4-79.7000112Y67 M103 A104 D108 N110 A117 I120Y67-Y112 HydrophobicContact CE1-CD2 4.5Å; Y67-Y112 HydrophobicContact CE1-CE2 4.04Å; Y67-Y112 AromaticContact CZ-CZ 3.97Å; Y67-Y112 WeakPolarHBondContact OH-CD1 3.42Å; Y67-Y112 WeakPolarHBondContact OH-CE1 3.26Å; Y67-Y112 PolarHBondContact OH-OH 3.26Å; M103-Y112 CarbonylContact C-O 3.54Å; M103-Y112 WeakPolarHBondContact CA-O 3.4Å; M103-Y112 WeakPolarHBondContact CB-O 3.29Å; A104-Y112 PolarHBondContact N-O 3.33Å; A104-Y112 PolarHBondContact O-N 2.82Å; D108-Y112 WeakPolarHBondContact OD1-CE2 3.48Å; D108-Y112 PolarHBondContact OD2-OH 3.32Å; N110-Y112 HydrophobicContact CB-CE2 3.83Å; N110-Y112 WeakPolarHBondContact O-CD2 3.44Å; Y112-A117 WeakPolarHBondContact O-CB 3.44Å; Y112-I120 HydrophobicContact CD2-CD1 3.34Å; Y112-I120 HydrophobicContact CE2-CD1 4.14Å; Y112-I120 HydrophobicContact CG-CD1 3.75Å
113K89.8Confident90.7Very high128 Ų12839 Ų3956%0.55721%0.213SC*.  trans-119.8173.4177.9-71.7168.5-173167.50109.9M103 A117M103-K113 HydrophobicContact CG-CD 4.47Å; M103-K113 HydrophobicContact CG-CG 3.69Å; M103-K113 HydrophobicContact SD-CD 4.41Å; M103-K113 WeakPolarHBondContact SD-CE 3.31Å; M103-K113 HydrophobicContact SD-CG 4.14Å; K113-A117 PolarHBondContact O-N 2.89Å
114G89.1Confident90.6Very high18 Ų1839.4 Ų39.419%0.18621%0.214CC..Hα-helixtrans63.8-146.317000000113.6F91 S116 A117 V118F91-G114 VanDerWaalsContact CE1-C 3.43Å; F91-G114 VanDerWaalsContact CZ-C 3.46Å; G114-S116 VanDerWaalsContact C-N 3.25Å; G114-S116 PolarHBondContact O-N 2.68Å; G114-A117 WeakPolarHBondContact O-CB 3.47Å; G114-A117 PolarHBondContact O-N 2.96Å; G114-A117 VanDerWaalsContact O-N 3.09Å; G114-V118 PolarHBondContact O-N 3.29Å
115S89.2Confident90.6Very high30 Ų3039.5 Ų39.521%0.2121%0.214CC..Hα-helixtrans-61.1-33.2-178.4-42.60000112.7L64 F91 A117 V118 M119L64-S115 VanDerWaalsContact CD2-CB 3.49Å; L64-S115 WeakPolarHBondContact CD2-O 3.48Å; F91-S115 WeakPolarHBondContact CE2-OG 3.28Å; F91-S115 VanDerWaalsContact CZ-N 3.26Å; F91-S115 WeakPolarHBondContact CZ-OG 3.48Å; S115-A117 VanDerWaalsContact C-N 3.33Å; S115-A117 PolarHBondContact O-N 3.38Å; S115-V118 WeakPolarHBondContact O-CB 3.43Å; S115-V118 PolarHBondContact O-N 3.04Å; S115-V118 VanDerWaalsContact O-N 3.17Å; S115-M119 PolarHBondContact O-N 3.49Å
116S89.5Confident90.6Very high13 Ų1336.3 Ų36.39%0.09120%0.201CC..Hα-helixtrans-61.1-41.4174.7-53.20000111.7G114 V118 M119 I120G114-S116 VanDerWaalsContact C-N 3.25Å; G114-S116 PolarHBondContact O-N 2.68Å; S116-V118 VanDerWaalsContact C-N 3.32Å; S116-V118 PolarHBondContact O-N 3.41Å; S116-M119 PolarHBondContact O-N 3.21Å; S116-I120 WeakPolarHBondContact O-CD1 3.38Å; S116-I120 VanDerWaalsContact O-CG1 3.27Å; S116-I120 WeakPolarHBondContact O-CG1 3.49Å; S116-I120 PolarHBondContact O-N 3.39Å
117A91.8Very high90.7Very high0 Ų041.5 Ų41.50%022%0.218CC..Hα-helixtrans-64-37.2175.600000112.4Y102 A104 Y112 K113 G114 S115 R121Y102-A117 HydrophobicContact CD1-CB 4.29Å; Y102-A117 HydrophobicContact CE1-CB 3.69Å; A104-A117 HydrophobicContact CB-CB 3.84Å; Y112-A117 WeakPolarHBondContact O-CB 3.44Å; K113-A117 PolarHBondContact O-N 2.89Å; G114-A117 WeakPolarHBondContact O-CB 3.47Å; G114-A117 PolarHBondContact O-N 2.96Å; G114-A117 VanDerWaalsContact O-N 3.09Å; S115-A117 VanDerWaalsContact C-N 3.33Å; S115-A117 PolarHBondContact O-N 3.38Å; A117-R121 WeakPolarHBondContact O-CG 3.49Å; A117-R121 PolarHBondContact O-N 3.01Å; A117-R121 VanDerWaalsContact O-N 3.1Å
118V93.1Very high90.9Very high0 Ų042 Ų420%022%0.223CC..Hα-helixtrans-64.8-47.6175173.70000111.2V84 I87 F91 G114 S115 S116 I120 R121 I122 M149 L157V84-V118 HydrophobicContact CG1-CG1 4.21Å; I87-V118 HydrophobicContact CD1-CG1 3.44Å; I87-V118 VanDerWaalsContact CD1-CG1 3.44Å; I87-V118 HydrophobicContact CG1-CG1 3.97Å; F91-V118 HydrophobicContact CE1-CG2 3.62Å; F91-V118 HydrophobicContact CZ-CG2 4.14Å; G114-V118 PolarHBondContact O-N 3.29Å; S115-V118 WeakPolarHBondContact O-CB 3.43Å; S115-V118 PolarHBondContact O-N 3.04Å; S115-V118 VanDerWaalsContact O-N 3.17Å; S116-V118 VanDerWaalsContact C-N 3.32Å; S116-V118 PolarHBondContact O-N 3.41Å; V118-I120 VanDerWaalsContact C-N 3.32Å; V118-I120 PolarHBondContact O-N 3.39Å; V118-R121 PolarHBondContact O-N 2.97Å; V118-I122 HydrophobicContact CG1-CD1 3.95Å; V118-I122 PolarHBondContact O-N 2.97Å; V118-M149 HydrophobicContact CB-CE 4.43Å; V118-M149 HydrophobicContact CG1-CE 4.04Å; V118-M149 HydrophobicContact CG2-CE 4.29Å; V118-L157 HydrophobicContact CG2-CD1 4.06Å; V118-L157 HydrophobicContact CG2-CD2 3.86Å
119M92.7Very high91Very high0 Ų040.9 Ų40.90%023%0.231CC..Hα-helixtrans-57.3-46176.3-177.560.886.100111.4L64 Y67 R80 Y81 V84 S115 S116 R121 I122 N123L64-M119 HydrophobicContact CB-CE 3.94Å; L64-M119 HydrophobicContact CD2-CB 4.07Å; L64-M119 HydrophobicContact CD2-CE 4.33Å; L64-M119 WeakPolarHBondContact O-CE 3.21Å; Y67-M119 HydrophobicContact CD2-CB 4.48Å; Y67-M119 HydrophobicContact CD2-CG 4.22Å; R80-M119 HydrophobicContact CG-SD 4.26Å; Y81-M119 HydrophobicContact CD2-CE 4.31Å; V84-M119 HydrophobicContact CB-CE 4.12Å; V84-M119 HydrophobicContact CG1-CB 4.34Å; V84-M119 HydrophobicContact CG1-CE 4.02Å; V84-M119 HydrophobicContact CG2-CE 3.81Å; V84-M119 HydrophobicContact CG2-SD 3.76Å; S115-M119 PolarHBondContact O-N 3.49Å; S116-M119 PolarHBondContact O-N 3.21Å; M119-R121 VanDerWaalsContact C-N 3.35Å; M119-R121 PolarHBondContact O-N 3.12Å; M119-I122 PolarHBondContact O-N 3.5Å; M119-N123 WeakPolarHBondContact O-CB 3.3Å; M119-N123 VanDerWaalsContact O-CG 3.28Å; M119-N123 PolarHBondContact O-N 3.38Å
120I92.2Very high91Very high0 Ų041.6 Ų41.60%023%0.227CC..Hα-helixtrans-59-44177.8-71.1162.3000111.6Y67 A104 K105 Y112 S116 V118 N123 Q124Y67-I120 HydrophobicContact CD1-CD1 4.45Å; Y67-I120 HydrophobicContact CD1-CG1 4.12Å; Y67-I120 HydrophobicContact CE1-CD1 4.06Å; Y67-I120 HydrophobicContact CE1-CG1 4.24Å; Y67-I120 HydrophobicContact CG-CG1 4.26Å; A104-I120 HydrophobicContact CB-CB 4Å; A104-I120 HydrophobicContact CB-CD1 4.47Å; A104-I120 HydrophobicContact CB-CG2 3.74Å; K105-I120 WeakPolarHBondContact O-CG2 3.38Å; Y112-I120 HydrophobicContact CD2-CD1 3.34Å; Y112-I120 HydrophobicContact CE2-CD1 4.14Å; Y112-I120 HydrophobicContact CG-CD1 3.75Å; S116-I120 WeakPolarHBondContact O-CD1 3.38Å; S116-I120 VanDerWaalsContact O-CG1 3.27Å; S116-I120 WeakPolarHBondContact O-CG1 3.49Å; S116-I120 PolarHBondContact O-N 3.39Å; V118-I120 VanDerWaalsContact C-N 3.32Å; V118-I120 PolarHBondContact O-N 3.39Å; I120-N123 PolarHBondContact O-N 3.32Å; I120-Q124 VanDerWaalsContact O-CG 3.27Å; I120-Q124 WeakPolarHBondContact O-CG 3.28Å; I120-Q124 PolarHBondContact O-N 3Å
121R92.8Very high91Very high37 Ų3740.5 Ų40.514%0.1423%0.225CC..Hα-helixtrans-66.2-40.7178-69.3-51.5-63.7-178.9-13.8112.4Y102 A104 A117 V118 M119 Q124 L125 F148 M149 R150Y102-R121 WeakPolarHBondContact OH-CG 3.36Å; A104-R121 HydrophobicContact CB-CG 4.23Å; A117-R121 WeakPolarHBondContact O-CG 3.49Å; A117-R121 PolarHBondContact O-N 3.01Å; A117-R121 VanDerWaalsContact O-N 3.1Å; V118-R121 PolarHBondContact O-N 2.97Å; M119-R121 VanDerWaalsContact C-N 3.35Å; M119-R121 PolarHBondContact O-N 3.12Å; R121-Q124 VanDerWaalsContact CD-OE1 3.3Å; R121-Q124 WeakPolarHBondContact O-CB 3.34Å; R121-Q124 PolarHBondContact O-N 3Å; R121-L125 PolarHBondContact O-N 3.46Å; R121-F148 PolarHBondContact NE-O 2.85Å; R121-F148 PolarHBondContact NH2-O 3.48Å; R121-M149 HydrophobicContact CB-CE 4.14Å; R121-M149 HydrophobicContact CB-SD 3.98Å; R121-R150 VanDerWaalsContact CZ-O 3.26Å; R121-R150 PolarHBondContact NE-O 3.07Å; R121-R150 PolarHBondContact NH2-O 2.69Å; R121-R150 VanDerWaalsContact NH2-O 3.13Å
122I93.1Very high91Very high1 Ų135.8 Ų35.81%0.00520%0.2CC..Hα-helixtrans-63.8-42.3174.9-73.4169.6000110.8R80 V84 I87 V118 M119 Q124 L125 I126 F132R80-I122 HydrophobicContact CG-CG2 3.92Å; V84-I122 HydrophobicContact CB-CD1 4.37Å; V84-I122 HydrophobicContact CG2-CB 4.44Å; V84-I122 HydrophobicContact CG2-CD1 3.45Å; V84-I122 VanDerWaalsContact CG2-CD1 3.45Å; V84-I122 HydrophobicContact CG2-CG2 4.37Å; I87-I122 HydrophobicContact CD1-CD1 4.27Å; V118-I122 HydrophobicContact CG1-CD1 3.95Å; V118-I122 PolarHBondContact O-N 2.97Å; M119-I122 PolarHBondContact O-N 3.5Å; I122-Q124 VanDerWaalsContact C-N 3.31Å; I122-Q124 PolarHBondContact O-N 3.3Å; I122-L125 WeakPolarHBondContact O-CB 3.35Å; I122-L125 PolarHBondContact O-N 2.87Å; I122-I126 HydrophobicContact CG2-CD1 4.04Å; I122-I126 WeakPolarHBondContact O-CG1 3.37Å; I122-I126 PolarHBondContact O-N 3.03Å; I122-F132 HydrophobicContact CD1-CD1 4.34Å; I122-F132 HydrophobicContact CD1-CE1 3.59Å; I122-F132 HydrophobicContact CD1-CZ 3.83Å; I122-F132 HydrophobicContact CG1-CD1 4.5Å; I122-F132 HydrophobicContact CG1-CE1 4.04Å; I122-F132 HydrophobicContact CG1-CE2 4.49Å; I122-F132 HydrophobicContact CG1-CZ 4.05Å; I122-F132 HydrophobicContact CG2-CB 4.38Å; I122-F132 HydrophobicContact CG2-CD1 3.75Å; I122-F132 HydrophobicContact CG2-CE1 4.1Å; I122-F132 HydrophobicContact CG2-CG 4.03Å
123N92.5Very high91.1Very high0 Ų034.8 Ų34.80%020%0.199CC..Hα-helixtrans-64-35.8175.4-71-15.2000112.1Y67 D69 V70 R80 M119 I120 I126 R127Y67-N123 PolarHBondContact O-ND2 3.08Å; D69-N123 VanDerWaalsContact OD1-CB 3.28Å; D69-N123 WeakPolarHBondContact OD1-CB 3.37Å; D69-N123 PolarHBondContact OD1-ND2 3.37Å; V70-N123 HydrophobicContact CG1-CB 4.01Å; V70-N123 WeakPolarHBondContact CG1-O 3.47Å; V70-N123 HydrophobicContact CG2-CB 4.17Å; V70-N123 WeakPolarHBondContact CG2-OD1 3.14Å; R80-N123 WeakPolarHBondContact CD-OD1 3.4Å; R80-N123 PolarHBondContact NH1-OD1 3.24Å; M119-N123 WeakPolarHBondContact O-CB 3.3Å; M119-N123 VanDerWaalsContact O-CG 3.28Å; M119-N123 PolarHBondContact O-N 3.38Å; I120-N123 PolarHBondContact O-N 3.32Å; N123-I126 PolarHBondContact O-N 3.14Å; N123-R127 WeakPolarHBondContact O-CG 3.18Å; N123-R127 PolarHBondContact O-N 2.93Å
124Q91.8Very high91.4Very high38 Ų3828.8 Ų28.818%0.17817%0.173CC..Hα-helixtrans-65.7-41.7173.5-74.1167.2-2.100112.3K105 I120 R121 I122 I126 R127 C128K105-Q124 PolarHBondContact O-NE2 3.24Å; I120-Q124 VanDerWaalsContact O-CG 3.27Å; I120-Q124 WeakPolarHBondContact O-CG 3.28Å; I120-Q124 PolarHBondContact O-N 3Å; R121-Q124 VanDerWaalsContact CD-OE1 3.3Å; R121-Q124 WeakPolarHBondContact O-CB 3.34Å; R121-Q124 PolarHBondContact O-N 3Å; I122-Q124 VanDerWaalsContact C-N 3.31Å; I122-Q124 PolarHBondContact O-N 3.3Å; Q124-I126 VanDerWaalsContact C-N 3.32Å; Q124-I126 PolarHBondContact O-N 3.37Å; Q124-R127 PolarHBondContact O-N 3.41Å; Q124-C128 PolarHBondContact O-N 3.39Å; Q124-C128 VanDerWaalsContact O-N 3.07Å; Q124-C128 PolarHBondContact O-SG 2.83Å; Q124-C128 VanDerWaalsContact O-SG 3.38Å
125L91.8Very high91.6Very high4 Ų431.3 Ų31.32%0.02119%0.188CC..Hα-helixtrans-58.7-44.2173.5177.4147.8000111.4R121 I122 R127 C128 I130 F132 M140 F148R121-L125 PolarHBondContact O-N 3.46Å; I122-L125 WeakPolarHBondContact O-CB 3.35Å; I122-L125 PolarHBondContact O-N 2.87Å; L125-R127 PolarHBondContact O-N 3Å; L125-C128 PolarHBondContact O-N 2.83Å; L125-I130 HydrophobicContact CD1-CG2 4.37Å; L125-I130 HydrophobicContact CD2-CB 3.81Å; L125-I130 HydrophobicContact CD2-CG2 3.7Å; L125-I130 WeakPolarHBondContact CD2-O 3.47Å; L125-I130 HydrophobicContact CG-CB 3.89Å; L125-I130 HydrophobicContact CG-CD1 4.39Å; L125-I130 HydrophobicContact CG-CG2 3.98Å; L125-I130 PolarHBondContact O-N 3.22Å; L125-F132 HydrophobicContact CD2-CB 4.22Å; L125-F132 HydrophobicContact CD2-CD2 3.9Å; L125-F132 HydrophobicContact CD2-CG 4.48Å; L125-M140 HydrophobicContact CD1-CE 4.14Å; L125-F148 HydrophobicContact CD1-CB 4.01Å; L125-F148 HydrophobicContact CD1-CD1 4.45Å; L125-F148 HydrophobicContact CD1-CD2 3.9Å; L125-F148 HydrophobicContact CD1-CG 3.87Å
126I92.6Very high91.8Very high30 Ų3030.9 Ų30.915%0.15419%0.185CC..Hα-helixtrans-62.6-41.2175.9-68.1167.8000111.7V70 L72 R80 I122 N123 Q124 C128 G129 I130 F132V70-I126 HydrophobicContact CB-CG2 4.34Å; V70-I126 HydrophobicContact CG1-CG2 4.37Å; V70-I126 HydrophobicContact CG2-CG2 4.4Å; L72-I126 HydrophobicContact CD1-CD1 4.18Å; L72-I126 HydrophobicContact CD2-CG2 4.09Å; R80-I126 HydrophobicContact CG-CD1 4.3Å; I122-I126 HydrophobicContact CG2-CD1 4.04Å; I122-I126 WeakPolarHBondContact O-CG1 3.37Å; I122-I126 PolarHBondContact O-N 3.03Å; N123-I126 PolarHBondContact O-N 3.14Å; Q124-I126 VanDerWaalsContact C-N 3.32Å; Q124-I126 PolarHBondContact O-N 3.37Å; I126-C128 VanDerWaalsContact C-N 3.27Å; I126-C128 PolarHBondContact O-N 2.74Å; I126-G129 PolarHBondContact O-N 2.79Å; I126-I130 WeakPolarHBondContact CA-O 3.36Å; I126-F132 HydrophobicContact CD1-CB 4.23Å; I126-F132 HydrophobicContact CG1-CB 4.16Å
127R90.5Very high92.1Very high117 Ų11730.2 Ų30.244%0.44218%0.181SC..Hα-helixtrans-63-32.7175.3-74.8-179.9180120.3-10.4113.3D69 V70 N123 Q124 L125 G129D69-R127 PolarHBondContact O-NH2 3.37Å; D69-R127 IonicContact OD1-NH1 2.6Å; D69-R127 IonicContact OD1-NH2 3.98Å; D69-R127 IonicContact OD2-CZ 2.79Å; D69-R127 IonicContact OD2-NH1 3.11Å; D69-R127 PolarHBondContact OD2-NH1 3.22Å; D69-R127 IonicContact OD2-NH2 3.66Å; D69-R127 PolarHBondContact OD2-NH2 2.86Å; V70-R127 HydrophobicContact CG1-CG 3.58Å; N123-R127 WeakPolarHBondContact O-CG 3.18Å; N123-R127 PolarHBondContact O-N 2.93Å; Q124-R127 PolarHBondContact O-N 3.41Å; L125-R127 PolarHBondContact O-N 3Å; R127-G129 PolarHBondContact O-N 2.97Å
128C89.5Confident92.2Very high91 Ų9133 Ų3362%0.61520%0.2SC*.THydrogen-bonded Turntrans-74.47.3174.7-670000113.2Q124 L125 I126 I130Q124-C128 PolarHBondContact O-N 3.39Å; Q124-C128 VanDerWaalsContact O-N 3.07Å; Q124-C128 PolarHBondContact O-SG 2.83Å; Q124-C128 VanDerWaalsContact O-SG 3.38Å; L125-C128 PolarHBondContact O-N 2.83Å; I126-C128 VanDerWaalsContact C-N 3.27Å; I126-C128 PolarHBondContact O-N 2.74Å; C128-I130 VanDerWaalsContact C-N 3.3Å; C128-I130 PolarHBondContact O-N 3.14Å
129G89.1Confident92.2Very high62 Ų6238 Ų3864%0.63923%0.234SC*.THydrogen-bonded Turntrans81.86.2177.200000114.1I126 R127 P131I126-G129 PolarHBondContact O-N 2.79Å; R127-G129 PolarHBondContact O-N 2.97Å; G129-P131 VanDerWaalsContact O-CD 3.29Å; G129-P131 WeakPolarHBondContact O-CD 3.22Å
130I88.9Confident92.2Very high48 Ų4838.9 Ų38.925%0.24624%0.238CC..  trans-89.5112.1175.5-58.5166.3000107.3L125 I126 C128 M140 F148L125-I130 HydrophobicContact CD1-CG2 4.37Å; L125-I130 HydrophobicContact CD2-CB 3.81Å; L125-I130 HydrophobicContact CD2-CG2 3.7Å; L125-I130 WeakPolarHBondContact CD2-O 3.47Å; L125-I130 HydrophobicContact CG-CB 3.89Å; L125-I130 HydrophobicContact CG-CD1 4.39Å; L125-I130 HydrophobicContact CG-CG2 3.98Å; L125-I130 PolarHBondContact O-N 3.22Å; I126-I130 WeakPolarHBondContact CA-O 3.36Å; C128-I130 VanDerWaalsContact C-N 3.3Å; C128-I130 PolarHBondContact O-N 3.14Å; I130-M140 HydrophobicContact CG2-CE 3.91Å; I130-F148 HydrophobicContact CD1-CD2 4.37Å; I130-F148 HydrophobicContact CD1-CE1 4.18Å; I130-F148 HydrophobicContact CD1-CE2 3.37Å; I130-F148 HydrophobicContact CD1-CZ 3.27Å
131P89.7Confident92.4Very high69 Ų6942.7 Ų42.745%0.44826%0.263SS..  trans-63.7151.417524.3-30.1000110.3G129 T133 S136G129-P131 VanDerWaalsContact O-CD 3.29Å; G129-P131 WeakPolarHBondContact O-CD 3.22Å; P131-T133 HydrophobicContact CB-CG2 4.19Å; P131-S136 VanDerWaalsContact O-CB 3.23Å; P131-S136 WeakPolarHBondContact O-CB 3.36Å; P131-S136 PolarHBondContact O-OG 3.27Å
132F90.9Very high92.6Very high11 Ų1144.1 Ų44.15%0.04827%0.27CS..  trans-11369.2173.5-156.5-114.9000109.5F83 I122 L125 I126 I137 I167F83-F132 HydrophobicContact CB-CD1 4.01Å; F83-F132 HydrophobicContact CB-CE1 3.47Å; F83-F132 VanDerWaalsContact CB-CE1 3.47Å; F83-F132 HydrophobicContact CB-CZ 4.46Å; F83-F132 HydrophobicContact CD2-CD1 4.14Å; F83-F132 HydrophobicContact CD2-CE1 4.32Å; F83-F132 HydrophobicContact CG-CD1 4.34Å; F83-F132 HydrophobicContact CG-CE1 4.05Å; I122-F132 HydrophobicContact CD1-CD1 4.34Å; I122-F132 HydrophobicContact CD1-CE1 3.59Å; I122-F132 HydrophobicContact CD1-CZ 3.83Å; I122-F132 HydrophobicContact CG1-CD1 4.5Å; I122-F132 HydrophobicContact CG1-CE1 4.04Å; I122-F132 HydrophobicContact CG1-CE2 4.49Å; I122-F132 HydrophobicContact CG1-CZ 4.05Å; I122-F132 HydrophobicContact CG2-CB 4.38Å; I122-F132 HydrophobicContact CG2-CD1 3.75Å; I122-F132 HydrophobicContact CG2-CE1 4.1Å; I122-F132 HydrophobicContact CG2-CG 4.03Å; L125-F132 HydrophobicContact CD2-CB 4.22Å; L125-F132 HydrophobicContact CD2-CD2 3.9Å; L125-F132 HydrophobicContact CD2-CG 4.48Å; I126-F132 HydrophobicContact CD1-CB 4.23Å; I126-F132 HydrophobicContact CG1-CB 4.16Å; F132-I137 HydrophobicContact CD2-CG1 4.43Å; F132-I137 HydrophobicContact CE2-CD1 4.44Å; F132-I137 HydrophobicContact CE2-CG1 4.27Å; F132-I137 HydrophobicContact CZ-CD1 4.41Å; F132-I167 HydrophobicContact CZ-CD1 4.05Å; F132-I167 HydrophobicContact CZ-CG2 4.43Å
133T93.6Very high92.7Very high33 Ų3352.6 Ų52.620%0.20231%0.307CS..SBendtrans-120.7164.2-175.8600000109.5P131 S135 S136 I137P131-T133 HydrophobicContact CB-CG2 4.19Å; T133-S135 VanDerWaalsContact C-N 3.31Å; T133-S135 PolarHBondContact O-N 3.25Å; T133-S136 PolarHBondContact N-OG 3.47Å; T133-S136 PolarHBondContact O-N 3.27Å; T133-S136 VanDerWaalsContact O-N 3.13Å; T133-S136 PolarHBondContact O-OG 3.11Å; T133-S136 PolarHBondContact OG1-N 2.9Å; T133-S136 PolarHBondContact OG1-OG 3.24Å; T133-I137 WeakPolarHBondContact O-CB 3.28Å; T133-I137 WeakPolarHBondContact O-CD1 3.42Å; T133-I137 WeakPolarHBondContact O-CG1 3.43Å; T133-I137 PolarHBondContact O-N 2.97Å
134P95.7Very high92.8Very high3 Ų355.1 Ų55.12%0.01932%0.322CS..Hα-helixtrans-56.3-41.6178.7-25.632.6000114.6F83 I137 S138 A171 L174 E175 G180F83-P134 HydrophobicContact CE2-CG 4.35Å; F83-P134 HydrophobicContact CZ-CG 3.89Å; P134-I137 PolarHBondContact O-N 3.39Å; P134-S138 WeakPolarHBondContact O-CB 3.4Å; P134-S138 PolarHBondContact O-N 3.4Å; P134-S138 PolarHBondContact O-OG 3.17Å; P134-A171 HydrophobicContact CB-CB 3.86Å; P134-L174 HydrophobicContact CG-CB 3.95Å; P134-L174 HydrophobicContact CG-CD1 4.16Å; P134-E175 HydrophobicContact CB-CG 3.48Å; P134-E175 VanDerWaalsContact CB-CG 3.48Å; P134-E175 WeakPolarHBondContact CB-OE1 3.31Å; P134-E175 HydrophobicContact CG-CG 4.47Å; P134-G180 WeakPolarHBondContact CD-O 3.43Å; P134-G180 VanDerWaalsContact CG-O 3.22Å; P134-G180 WeakPolarHBondContact CG-O 3.24Å
135S92.8Very high92.9Very high71 Ų7153.4 Ų53.450%0.49731%0.314SS..Hα-helixtrans-58.6-45.8173.8176.80000112.9T133 S138 C139 E175T133-S135 VanDerWaalsContact C-N 3.31Å; T133-S135 PolarHBondContact O-N 3.25Å; S135-S138 PolarHBondContact O-N 3.38Å; S135-C139 PolarHBondContact O-N 3.49Å; S135-E175 PolarHBondContact N-OE1 3.02Å
136S93.8Very high93.1Very high20 Ų2054.4 Ų54.414%0.1432%0.32CS..Hα-helixtrans-70.5-37.2-179.471.50000112.6P131 T133 S138 M140P131-S136 VanDerWaalsContact O-CB 3.23Å; P131-S136 WeakPolarHBondContact O-CB 3.36Å; P131-S136 PolarHBondContact O-OG 3.27Å; T133-S136 PolarHBondContact N-OG 3.47Å; T133-S136 PolarHBondContact O-N 3.27Å; T133-S136 VanDerWaalsContact O-N 3.13Å; T133-S136 PolarHBondContact O-OG 3.11Å; T133-S136 PolarHBondContact OG1-N 2.9Å; T133-S136 PolarHBondContact OG1-OG 3.24Å; S136-S138 VanDerWaalsContact C-N 3.33Å; S136-M140 WeakPolarHBondContact O-CB 3.47Å; S136-M140 PolarHBondContact O-N 2.9Å
137I95.7Very high93.1Very high0 Ų059.8 Ų59.80%034%0.342CS..Hα-helixtrans-61.8-42.6172.5-74159.2000110.7F83 F132 T133 P134 C139 M140 W164 I167 R168 A171F83-I137 HydrophobicContact CD1-CD1 3.89Å; F83-I137 HydrophobicContact CD2-CD1 4.04Å; F83-I137 HydrophobicContact CE1-CD1 3.56Å; F83-I137 HydrophobicContact CE2-CD1 3.73Å; F83-I137 HydrophobicContact CG-CD1 4.11Å; F83-I137 HydrophobicContact CZ-CD1 3.47Å; F83-I137 VanDerWaalsContact CZ-CD1 3.47Å; F132-I137 HydrophobicContact CD2-CG1 4.43Å; F132-I137 HydrophobicContact CE2-CD1 4.44Å; F132-I137 HydrophobicContact CE2-CG1 4.27Å; F132-I137 HydrophobicContact CZ-CD1 4.41Å; T133-I137 WeakPolarHBondContact O-CB 3.28Å; T133-I137 WeakPolarHBondContact O-CD1 3.42Å; T133-I137 WeakPolarHBondContact O-CG1 3.43Å; T133-I137 PolarHBondContact O-N 2.97Å; P134-I137 PolarHBondContact O-N 3.39Å; I137-C139 VanDerWaalsContact C-N 3.3Å; I137-C139 PolarHBondContact O-N 3.44Å; I137-M140 PolarHBondContact O-N 3.13Å; I137-W164 HydrophobicContact CG2-CH2 4.41Å; I137-W164 HydrophobicContact CG2-CZ3 4.39Å; I137-W164 WeakPolarHBondContact O-CH2 3.49Å; I137-I167 HydrophobicContact CB-CG2 4.33Å; I137-I167 HydrophobicContact CD1-CG2 3.43Å; I137-I167 VanDerWaalsContact CD1-CG2 3.43Å; I137-I167 HydrophobicContact CG1-CG2 3.77Å; I137-I167 HydrophobicContact CG2-CG2 3.61Å; I137-R168 HydrophobicContact CG2-CG 4.09Å; I137-A171 HydrophobicContact CB-CB 4.02Å; I137-A171 HydrophobicContact CD1-CB 4.26Å; I137-A171 HydrophobicContact CG2-CB 3.61Å
138S92.5Very high93.2Very high57 Ų5756 Ų5640%0.39933%0.329SS..Hα-helixtrans-64.3-35-176.7-63.40000112.7P134 S135 S136P134-S138 WeakPolarHBondContact O-CB 3.4Å; P134-S138 PolarHBondContact O-N 3.4Å; P134-S138 PolarHBondContact O-OG 3.17Å; S135-S138 PolarHBondContact O-N 3.38Å; S136-S138 VanDerWaalsContact C-N 3.33Å
139C93.3Very high93.5Very high106 Ų10651.8 Ų51.872%0.71630%0.3SS*.Hα-helixtrans-93-14.4-179.6-630000114S135 I137 P141S135-C139 PolarHBondContact O-N 3.49Å; I137-C139 VanDerWaalsContact C-N 3.3Å; I137-C139 PolarHBondContact O-N 3.44Å; C139-P141 WeakPolarHBondContact O-CD 3.2Å
140M94.2Very high93.7Very high19 Ų1952.4 Ų52.49%0.09428%0.283CS..SBendtrans-74.3125.5-177.3178.4-176.1-53.600110.8L125 I130 S136 I137 V144 F145 W164L125-M140 HydrophobicContact CD1-CE 4.14Å; I130-M140 HydrophobicContact CG2-CE 3.91Å; S136-M140 WeakPolarHBondContact O-CB 3.47Å; S136-M140 PolarHBondContact O-N 2.9Å; I137-M140 PolarHBondContact O-N 3.13Å; M140-V144 HydrophobicContact CG-CB 3.89Å; M140-V144 HydrophobicContact CG-CG1 3.89Å; M140-V144 HydrophobicContact SD-CG1 4.2Å; M140-F145 HydrophobicContact SD-CB 3.93Å; M140-F145 HydrophobicContact SD-CD2 4.5Å; M140-W164 HydrophobicContact CB-CH2 3.99Å; M140-W164 HydrophobicContact CG-CH2 4.2Å; M140-W164 VanDerWaalsContact O-CH2 3.25Å; M140-W164 WeakPolarHBondContact O-CH2 3.48Å; M140-W164 WeakPolarHBondContact O-CZ2 3.46Å; M140-W164 HydrophobicContact SD-CH2 4.42Å; M140-W164 HydrophobicContact SD-CZ3 4.31Å
141P95.2Very high93.8Very high79 Ų7950.6 Ų50.651%0.51327%0.274SS..  trans-67.2146.9172.4-20.933.2000111.9C139 K143 V144 F145C139-P141 WeakPolarHBondContact O-CD 3.2Å; P141-K143 PolarHBondContact O-N 3.36Å; P141-K143 VanDerWaalsContact O-N 3.16Å; P141-V144 HydrophobicContact CB-CG2 4.3Å; P141-V144 HydrophobicContact CG-CG2 4.23Å; P141-V144 WeakPolarHBondContact O-CB 3.15Å; P141-V144 PolarHBondContact O-N 3.09Å; P141-F145 PolarHBondContact O-N 3.49Å
142F96.6Very high93.8Very high67 Ų6756.9 Ų56.929%0.29429%0.289SS..Hα-helixtrans-51.9-41.5176.9173-118.9000113.1V144 F145 D146 I160 E161 W164F142-V144 PolarHBondContact O-N 3.42Å; F142-F145 HydrophobicContact CD2-CD1 4.44Å; F142-F145 HydrophobicContact CE2-CD1 4.47Å; F142-F145 WeakPolarHBondContact O-CB 3.4Å; F142-F145 PolarHBondContact O-N 3.48Å; F142-F145 VanDerWaalsContact O-N 3.08Å; F142-D146 HydrophobicContact CE2-CB 4.34Å; F142-D146 HydrophobicContact CZ-CB 4.19Å; F142-D146 PolarHBondContact O-N 2.89Å; F142-I160 HydrophobicContact CE2-CG1 4.31Å; F142-I160 HydrophobicContact CZ-CG2 4.19Å; F142-E161 HydrophobicContact CE1-CG 4.16Å; F142-E161 HydrophobicContact CE2-CG 4.23Å; F142-E161 HydrophobicContact CZ-CB 4.46Å; F142-E161 HydrophobicContact CZ-CG 3.56Å; F142-W164 HydrophobicContact CD2-CB 3.75Å; F142-W164 AromaticContact CD2-CD1 3.37Å; F142-W164 HydrophobicContact CD2-CD2 4.17Å; F142-W164 AromaticContact CD2-CG 3.47Å; F142-W164 HydrophobicContact CD2-CG 3.47Å; F142-W164 VanDerWaalsContact CD2-CG 3.47Å; F142-W164 AromaticContact CD2-NE1 3.94Å; F142-W164 HydrophobicContact CE2-CB 3.9Å; F142-W164 HydrophobicContact CE2-CG 4.15Å; F142-W164 AromaticContact CG-CD1 3.93Å; F142-W164 HydrophobicContact CG-CG 4.4Å
143K95.9Very high93.8Very high179 Ų17962.1 Ų62.178%0.77831%0.309SS*.Hα-helixtrans-57.7-32.8178.4-69.3-176.3177.1-179.70113P141 F147P141-K143 PolarHBondContact O-N 3.36Å; P141-K143 VanDerWaalsContact O-N 3.16Å; K143-F147 VanDerWaalsContact O-CB 3.3Å; K143-F147 WeakPolarHBondContact O-CB 3.34Å; K143-F147 PolarHBondContact O-N 2.94Å; K143-F147 VanDerWaalsContact O-N 3.1Å
144V93.8Very high93.6Very high54 Ų5464.5 Ų64.533%0.32733%0.327SS..Hα-helixtrans-71.9-46.6176.5176.80000109.8M140 P141 F142 F147 F148M140-V144 HydrophobicContact CG-CB 3.89Å; M140-V144 HydrophobicContact CG-CG1 3.89Å; M140-V144 HydrophobicContact SD-CG1 4.2Å; P141-V144 HydrophobicContact CB-CG2 4.3Å; P141-V144 HydrophobicContact CG-CG2 4.23Å; P141-V144 WeakPolarHBondContact O-CB 3.15Å; P141-V144 PolarHBondContact O-N 3.09Å; F142-V144 PolarHBondContact O-N 3.42Å; V144-F147 PolarHBondContact O-N 2.6Å; V144-F148 HydrophobicContact CG1-CD2 3.62Å; V144-F148 HydrophobicContact CG1-CE2 3.53Å; V144-F148 WeakPolarHBondContact O-CD2 3.39Å; V144-F148 PolarHBondContact O-N 3.49Å
145F94.8Very high93.4Very high1 Ų164.7 Ų64.70%0.00433%0.328CS..Hα-helixtrans-60-48.2175.6178.3-105.1000112.4M140 P141 F142 F147 F148 M149 I160 W164 I167M140-F145 HydrophobicContact SD-CB 3.93Å; M140-F145 HydrophobicContact SD-CD2 4.5Å; P141-F145 PolarHBondContact O-N 3.49Å; F142-F145 HydrophobicContact CD2-CD1 4.44Å; F142-F145 HydrophobicContact CE2-CD1 4.47Å; F142-F145 WeakPolarHBondContact O-CB 3.4Å; F142-F145 PolarHBondContact O-N 3.48Å; F142-F145 VanDerWaalsContact O-N 3.08Å; F145-F147 VanDerWaalsContact C-N 3.35Å; F145-F147 PolarHBondContact O-N 2.85Å; F145-F148 PolarHBondContact O-N 2.96Å; F145-M149 HydrophobicContact CD1-CG 4.36Å; F145-M149 HydrophobicContact CD2-CG 3.93Å; F145-M149 HydrophobicContact CE1-CG 4.04Å; F145-M149 HydrophobicContact CE2-CG 3.56Å; F145-M149 HydrophobicContact CE2-SD 4.15Å; F145-M149 HydrophobicContact CG-CG 4.32Å; F145-M149 HydrophobicContact CZ-CG 3.62Å; F145-M149 HydrophobicContact CZ-SD 4.48Å; F145-M149 WeakPolarHBondContact O-CB 3.37Å; F145-M149 WeakPolarHBondContact O-CG 3.48Å; F145-M149 PolarHBondContact O-N 2.78Å; F145-I160 HydrophobicContact CD1-CD1 3.95Å; F145-I160 HydrophobicContact CD1-CG1 4.32Å; F145-I160 HydrophobicContact CE1-CD1 3.39Å; F145-I160 HydrophobicContact CE1-CG1 4.1Å; F145-I160 HydrophobicContact CZ-CD1 4.12Å; F145-W164 HydrophobicContact CB-CD2 4.21Å; F145-W164 HydrophobicContact CB-CE3 3.63Å; F145-W164 HydrophobicContact CB-CH2 4.43Å; F145-W164 HydrophobicContact CB-CZ3 3.76Å; F145-W164 HydrophobicContact CD1-CB 3.82Å; F145-W164 HydrophobicContact CD1-CD2 4Å; F145-W164 AromaticContact CD1-CE3 3.55Å; F145-W164 HydrophobicContact CD1-CE3 3.55Å; F145-W164 HydrophobicContact CD1-CG 4.16Å; F145-W164 HydrophobicContact CD1-CZ3 4.44Å; F145-W164 AromaticContact CD2-CE3 3.76Å; F145-W164 HydrophobicContact CD2-CE3 3.76Å; F145-W164 AromaticContact CD2-CZ3 3.95Å; F145-W164 HydrophobicContact CD2-CZ3 3.95Å; F145-W164 HydrophobicContact CE1-CB 3.85Å; F145-W164 HydrophobicContact CE1-CE3 4.07Å; F145-W164 HydrophobicContact CE2-CE3 4.28Å; F145-W164 HydrophobicContact CG-CD2 4.14Å; F145-W164 AromaticContact CG-CE3 3.35Å; F145-W164 HydrophobicContact CG-CE3 3.35Å; F145-W164 AromaticContact CG-CZ3 3.8Å; F145-W164 HydrophobicContact CG-CZ3 3.8Å; F145-W164 HydrophobicContact CZ-CE3 4.42Å; F145-I167 HydrophobicContact CE2-CD1 3.8Å; F145-I167 HydrophobicContact CZ-CD1 3.72Å
146D95.7Very high93.3Very high26 Ų2664.1 Ų64.114%0.13932%0.322CS..Hα-helixtrans-57.4-47.2176.6177.749.9000111.3F142 F148 M149 R150F142-D146 HydrophobicContact CE2-CB 4.34Å; F142-D146 HydrophobicContact CZ-CB 4.19Å; F142-D146 PolarHBondContact O-N 2.89Å; D146-F148 PolarHBondContact O-N 2.88Å; D146-M149 PolarHBondContact O-N 2.87Å; D146-R150 WeakPolarHBondContact O-CG 3.26Å; D146-R150 PolarHBondContact O-N 3.26Å; D146-R150 VanDerWaalsContact O-N 3.14Å; D146-R150 IonicContact OD1-CZ 2.74Å; D146-R150 IonicContact OD1-NE 3.81Å; D146-R150 PolarHBondContact OD1-NE 2.94Å; D146-R150 IonicContact OD1-NH2 2.93Å; D146-R150 PolarHBondContact OD1-NH2 2.9Å; D146-R150 IonicContact OD2-CZ 3.51Å; D146-R150 IonicContact OD2-NE 2.7Å; D146-R150 PolarHBondContact OD2-NE 2.97Å; D146-R150 IonicContact OD2-NH2 3.23Å; D146-R150 PolarHBondContact OD2-NH2 3.01Å
147F94.1Very high93.3Very high142 Ų14263.2 Ų63.262%0.62332%0.315SS*.Hα-helixtrans-58.1-47.6176.5176.9-99000112.3K143 V144 F145 M149 R150K143-F147 VanDerWaalsContact O-CB 3.3Å; K143-F147 WeakPolarHBondContact O-CB 3.34Å; K143-F147 PolarHBondContact O-N 2.94Å; K143-F147 VanDerWaalsContact O-N 3.1Å; V144-F147 PolarHBondContact O-N 2.6Å; F145-F147 VanDerWaalsContact C-N 3.35Å; F145-F147 PolarHBondContact O-N 2.85Å; F147-M149 VanDerWaalsContact C-N 3.33Å; F147-M149 PolarHBondContact O-N 3.01Å; F147-R150 PolarHBondContact O-N 3.41Å
148F92.6Very high93.1Very high37 Ų3764.3 Ų64.316%0.16232%0.322CS..Hα-helixtrans-68.9-30.5179.6-82.3-65.4000113.3R121 L125 I130 V144 F145 D146 R150R121-F148 PolarHBondContact NE-O 2.85Å; R121-F148 PolarHBondContact NH2-O 3.48Å; L125-F148 HydrophobicContact CD1-CB 4.01Å; L125-F148 HydrophobicContact CD1-CD1 4.45Å; L125-F148 HydrophobicContact CD1-CD2 3.9Å; L125-F148 HydrophobicContact CD1-CG 3.87Å; I130-F148 HydrophobicContact CD1-CD2 4.37Å; I130-F148 HydrophobicContact CD1-CE1 4.18Å; I130-F148 HydrophobicContact CD1-CE2 3.37Å; I130-F148 HydrophobicContact CD1-CZ 3.27Å; V144-F148 HydrophobicContact CG1-CD2 3.62Å; V144-F148 HydrophobicContact CG1-CE2 3.53Å; V144-F148 WeakPolarHBondContact O-CD2 3.39Å; V144-F148 PolarHBondContact O-N 3.49Å; F145-F148 PolarHBondContact O-N 2.96Å; D146-F148 PolarHBondContact O-N 2.88Å; F148-R150 VanDerWaalsContact C-N 3.35Å
149M94.5Very high93.1Very high4 Ų465.7 Ų65.72%0.0232%0.324CS..Hα-helixtrans-85-5.6-179.8-68.5-53.4-60.900113.8I87 Y102 V118 R121 F145 D146 F147 L157 I160I87-M149 HydrophobicContact CD1-CE 4.47Å; Y102-M149 WeakPolarHBondContact CE2-O 3.02Å; Y102-M149 PolarHBondContact OH-O 2.98Å; V118-M149 HydrophobicContact CB-CE 4.43Å; V118-M149 HydrophobicContact CG1-CE 4.04Å; V118-M149 HydrophobicContact CG2-CE 4.29Å; R121-M149 HydrophobicContact CB-CE 4.14Å; R121-M149 HydrophobicContact CB-SD 3.98Å; F145-M149 HydrophobicContact CD1-CG 4.36Å; F145-M149 HydrophobicContact CD2-CG 3.93Å; F145-M149 HydrophobicContact CE1-CG 4.04Å; F145-M149 HydrophobicContact CE2-CG 3.56Å; F145-M149 HydrophobicContact CE2-SD 4.15Å; F145-M149 HydrophobicContact CG-CG 4.32Å; F145-M149 HydrophobicContact CZ-CG 3.62Å; F145-M149 HydrophobicContact CZ-SD 4.48Å; F145-M149 WeakPolarHBondContact O-CB 3.37Å; F145-M149 WeakPolarHBondContact O-CG 3.48Å; F145-M149 PolarHBondContact O-N 2.78Å; D146-M149 PolarHBondContact O-N 2.87Å; F147-M149 VanDerWaalsContact C-N 3.33Å; F147-M149 PolarHBondContact O-N 3.01Å; M149-L157 HydrophobicContact CE-CD2 3.55Å; M149-I160 HydrophobicContact CB-CD1 3.58Å; M149-I160 HydrophobicContact CG-CD1 4Å
150R93.6Very high93.2Very high75 Ų7561.3 Ų61.328%0.28329%0.293SS..SBendtrans-72.9149169.5-74.2164.2-172.8-92.1-0.5111.5R121 D146 F147 F148 S154 A155 V156R121-R150 VanDerWaalsContact CZ-O 3.26Å; R121-R150 PolarHBondContact NE-O 3.07Å; R121-R150 PolarHBondContact NH2-O 2.69Å; R121-R150 VanDerWaalsContact NH2-O 3.13Å; D146-R150 WeakPolarHBondContact O-CG 3.26Å; D146-R150 PolarHBondContact O-N 3.26Å; D146-R150 VanDerWaalsContact O-N 3.14Å; D146-R150 IonicContact OD1-CZ 2.74Å; D146-R150 IonicContact OD1-NE 3.81Å; D146-R150 PolarHBondContact OD1-NE 2.94Å; D146-R150 IonicContact OD1-NH2 2.93Å; D146-R150 PolarHBondContact OD1-NH2 2.9Å; D146-R150 IonicContact OD2-CZ 3.51Å; D146-R150 IonicContact OD2-NE 2.7Å; D146-R150 PolarHBondContact OD2-NE 2.97Å; D146-R150 IonicContact OD2-NH2 3.23Å; D146-R150 PolarHBondContact OD2-NH2 3.01Å; F147-R150 PolarHBondContact O-N 3.41Å; F148-R150 VanDerWaalsContact C-N 3.35Å; R150-S154 PolarHBondContact NH1-O 3.18Å; R150-A155 WeakPolarHBondContact CA-O 3.45Å; R150-V156 HydrophobicContact CG-CG2 4.46Å; R150-V156 VanDerWaalsContact CZ-CG2 3.45Å
151D91.9Very high93.3Very high10 Ų1065.7 Ų65.75%0.05331%0.313CS..  trans-77.6175.5169.981.18.4000112.5Y102 M103 R153 S154 A155Y102-D151 HydrophobicContact CD2-CB 4.26Å; Y102-D151 HydrophobicContact CE2-CB 4.18Å; M103-D151 PolarHBondContact N-OD2 3.46Å; M103-D151 WeakPolarHBondContact O-CB 3.39Å; D151-R153 PolarHBondContact O-N 3.37Å; D151-R153 VanDerWaalsContact O-N 3.09Å; D151-R153 VanDerWaalsContact OD1-C 3.32Å; D151-R153 VanDerWaalsContact OD1-CA 3.28Å; D151-R153 WeakPolarHBondContact OD1-CA 3.45Å; D151-R153 WeakPolarHBondContact OD1-CB 3.38Å; D151-R153 PolarHBondContact OD1-N 3.47Å; D151-R153 IonicContact OD2-CZ 3.7Å; D151-R153 IonicContact OD2-NE 3.61Å; D151-R153 PolarHBondContact OD2-NE 3.25Å; D151-R153 IonicContact OD2-NH2 2.83Å; D151-R153 PolarHBondContact OD2-NH2 2.97Å; D151-S154 PolarHBondContact O-N 2.94Å; D151-S154 PolarHBondContact OD1-N 3.35Å; D151-A155 HydrophobicContact CB-CB 4.48Å; D151-A155 PolarHBondContact N-O 3Å; D151-A155 VanDerWaalsContact N-O 3.1Å; D151-A155 VanDerWaalsContact OD1-CB 3.28Å; D151-A155 WeakPolarHBondContact OD1-CB 3.45Å; D151-A155 PolarHBondContact OD1-N 2.85Å; D151-A155 VanDerWaalsContact OD2-CB 3.3Å; D151-A155 WeakPolarHBondContact OD2-CB 3.48Å
152R88.3Confident93.4Very high201 Ų20165.3 Ų65.376%0.75831%0.305SS*.THydrogen-bonded Turntrans-62.9-15.2-179.6-67.5-170.3177.9-165.7-1114.4
153R90.8Very high93.4Very high121 Ų12162.1 Ų62.146%0.45729%0.291SS..THydrogen-bonded Turntrans-100.512.3176.4-57.5167.3-64.4170.22.7111.2P100 K101 D151 A155P100-R153 HydrophobicContact CB-CB 4.4Å; P100-R153 VanDerWaalsContact CB-CZ 3.49Å; P100-R153 HydrophobicContact CG-CB 4.2Å; K101-R153 PolarHBondContact O-NH2 2.97Å; D151-R153 PolarHBondContact O-N 3.37Å; D151-R153 VanDerWaalsContact O-N 3.09Å; D151-R153 VanDerWaalsContact OD1-C 3.32Å; D151-R153 VanDerWaalsContact OD1-CA 3.28Å; D151-R153 WeakPolarHBondContact OD1-CA 3.45Å; D151-R153 WeakPolarHBondContact OD1-CB 3.38Å; D151-R153 PolarHBondContact OD1-N 3.47Å; D151-R153 IonicContact OD2-CZ 3.7Å; D151-R153 IonicContact OD2-NE 3.61Å; D151-R153 PolarHBondContact OD2-NE 3.25Å; D151-R153 IonicContact OD2-NH2 2.83Å; D151-R153 PolarHBondContact OD2-NH2 2.97Å; R153-A155 PolarHBondContact O-N 2.84Å
154S89.7Confident93.4Very high83 Ų8354.5 Ų54.558%0.5826%0.257SS*.  trans64.317.5-175-54.80000115R150 D151 V156R150-S154 PolarHBondContact NH1-O 3.18Å; D151-S154 PolarHBondContact O-N 2.94Å; D151-S154 PolarHBondContact OD1-N 3.35Å; S154-V156 PolarHBondContact O-N 3.26Å
155A91.9Very high93.6Very high7 Ų757.5 Ų57.56%0.05827%0.267CS..PPolyproline II helixtrans-64.6132.6173.600000109.8P100 Y102 R150 D151 R153P100-A155 HydrophobicContact CB-CB 4.24Å; P100-A155 HydrophobicContact CG-CB 3.88Å; Y102-A155 HydrophobicContact CD2-CB 4.47Å; Y102-A155 WeakPolarHBondContact CD2-O 3.25Å; R150-A155 WeakPolarHBondContact CA-O 3.45Å; D151-A155 HydrophobicContact CB-CB 4.48Å; D151-A155 PolarHBondContact N-O 3Å; D151-A155 VanDerWaalsContact N-O 3.1Å; D151-A155 VanDerWaalsContact OD1-CB 3.28Å; D151-A155 WeakPolarHBondContact OD1-CB 3.45Å; D151-A155 PolarHBondContact OD1-N 2.85Å; D151-A155 VanDerWaalsContact OD2-CB 3.3Å; D151-A155 WeakPolarHBondContact OD2-CB 3.48Å; R153-A155 PolarHBondContact O-N 2.84Å
156V91.2Very high93.7Very high59 Ų5958.9 Ų58.936%0.35828%0.275SS..PPolyproline II helixtrans-85.2132.7-179.8-1770000109.7R150 S154 P158 I160R150-V156 HydrophobicContact CG-CG2 4.46Å; R150-V156 VanDerWaalsContact CZ-CG2 3.45Å; S154-V156 PolarHBondContact O-N 3.26Å; V156-P158 WeakPolarHBondContact O-CD 3.43Å; V156-I160 HydrophobicContact CG1-CB 4.17Å; V156-I160 HydrophobicContact CG1-CG2 3.84Å
157L92.2Very high93.7Very high1 Ų157.7 Ų57.71%0.00527%0.268CS..PPolyproline II helixtrans-63.6123.6168.1176.366.6000108.8F91 Y102 V118 M149 I160F91-L157 HydrophobicContact CD1-CD1 4.01Å; F91-L157 HydrophobicContact CE1-CD1 4.03Å; Y102-L157 HydrophobicContact CD1-CB 4.46Å; Y102-L157 HydrophobicContact CD1-CD1 3.61Å; Y102-L157 HydrophobicContact CD2-CB 4.11Å; Y102-L157 HydrophobicContact CE1-CB 4.28Å; Y102-L157 HydrophobicContact CE1-CD1 3.52Å; Y102-L157 HydrophobicContact CE1-CG 4.39Å; Y102-L157 HydrophobicContact CE2-CB 3.95Å; Y102-L157 HydrophobicContact CG-CB 4.36Å; Y102-L157 HydrophobicContact CG-CD1 4.22Å; V118-L157 HydrophobicContact CG2-CD1 4.06Å; V118-L157 HydrophobicContact CG2-CD2 3.86Å; M149-L157 HydrophobicContact CE-CD2 3.55Å; L157-I160 HydrophobicContact CB-CD1 4.33Å; L157-I160 HydrophobicContact CD2-CD1 4.39Å; L157-I160 WeakPolarHBondContact O-CB 3.46Å; L157-I160 PolarHBondContact O-N 2.86Å
158P92.3Very high93.9Very high23 Ų2356.8 Ų56.815%0.14926%0.26CS..THydrogen-bonded Turntrans-55.8143.4-175.6-26.835.1000112.7K93 V156 R163K93-P158 HydrophobicContact CB-CG 4.27Å; V156-P158 WeakPolarHBondContact O-CD 3.43Å; P158-R163 PolarHBondContact O-NE 3.5Å; P158-R163 PolarHBondContact O-NH2 3.05Å
159M93.8Very high94.1Very high86 Ų8660 Ų6042%0.42428%0.279SS..THydrogen-bonded Turntrans5940.9-178.9-53.2-179.874.400113.8F89 S90 E161 Q162 R163F89-M159 HydrophobicContact CD2-SD 4.37Å; F89-M159 HydrophobicContact CE2-CB 4.37Å; F89-M159 HydrophobicContact CE2-CE 4.26Å; F89-M159 HydrophobicContact CE2-SD 4.02Å; S90-M159 WeakPolarHBondContact CB-SD 3.25Å; M159-E161 VanDerWaalsContact C-N 3.32Å; M159-E161 PolarHBondContact O-N 2.85Å; M159-Q162 VanDerWaalsContact C-OE1 3.24Å; M159-Q162 HydrophobicContact CB-CB 4.39Å; M159-Q162 VanDerWaalsContact CB-OE1 3.32Å; M159-Q162 HydrophobicContact CE-CB 4.4Å; M159-Q162 HydrophobicContact CE-CG 4.15Å; M159-Q162 PolarHBondContact O-N 3.07Å; M159-Q162 PolarHBondContact O-OE1 3.41Å; M159-R163 VanDerWaalsContact O-CG 3.31Å; M159-R163 WeakPolarHBondContact O-CG 3.22Å; M159-R163 PolarHBondContact O-N 3.23Å
160I94.6Very high94.2Very high14 Ų1460.1 Ų60.17%0.07228%0.281CS..Hα-helixtrans-62.1-36.8-174.1-170.763.7000113F142 F145 M149 V156 L157 R163 W164F142-I160 HydrophobicContact CE2-CG1 4.31Å; F142-I160 HydrophobicContact CZ-CG2 4.19Å; F145-I160 HydrophobicContact CD1-CD1 3.95Å; F145-I160 HydrophobicContact CD1-CG1 4.32Å; F145-I160 HydrophobicContact CE1-CD1 3.39Å; F145-I160 HydrophobicContact CE1-CG1 4.1Å; F145-I160 HydrophobicContact CZ-CD1 4.12Å; M149-I160 HydrophobicContact CB-CD1 3.58Å; M149-I160 HydrophobicContact CG-CD1 4Å; V156-I160 HydrophobicContact CG1-CB 4.17Å; V156-I160 HydrophobicContact CG1-CG2 3.84Å; L157-I160 HydrophobicContact CB-CD1 4.33Å; L157-I160 HydrophobicContact CD2-CD1 4.39Å; L157-I160 WeakPolarHBondContact O-CB 3.46Å; L157-I160 PolarHBondContact O-N 2.86Å; I160-R163 PolarHBondContact O-N 3.36Å; I160-W164 WeakPolarHBondContact O-CB 3.24Å; I160-W164 PolarHBondContact O-N 2.98Å
161E96.5Very high94.4Very high111 Ų11156.6 Ų56.652%0.51927%0.268SS..Hα-helixtrans-65.3-48.1178.3-67152.9162.300110.8F142 M159 R163 W164 E165F142-E161 HydrophobicContact CE1-CG 4.16Å; F142-E161 HydrophobicContact CE2-CG 4.23Å; F142-E161 HydrophobicContact CZ-CB 4.46Å; F142-E161 HydrophobicContact CZ-CG 3.56Å; M159-E161 VanDerWaalsContact C-N 3.32Å; M159-E161 PolarHBondContact O-N 2.85Å; E161-R163 VanDerWaalsContact C-N 3.3Å; E161-R163 PolarHBondContact O-N 3.31Å; E161-W164 WeakPolarHBondContact O-CB 3.43Å; E161-W164 PolarHBondContact O-N 3.39Å; E161-W164 VanDerWaalsContact O-N 3.08Å; E161-E165 WeakPolarHBondContact O-CG 3.03Å; E161-E165 PolarHBondContact O-N 3.03Å
162Q96.3Very high94.7Very high71 Ų7161.4 Ų61.433%0.33229%0.289SS..Hα-helixtrans-64.2-37177.8-6279.41000111.4M159 W164 I166M159-Q162 VanDerWaalsContact C-OE1 3.24Å; M159-Q162 HydrophobicContact CB-CB 4.39Å; M159-Q162 VanDerWaalsContact CB-OE1 3.32Å; M159-Q162 HydrophobicContact CE-CB 4.4Å; M159-Q162 HydrophobicContact CE-CG 4.15Å; M159-Q162 PolarHBondContact O-N 3.07Å; M159-Q162 PolarHBondContact O-OE1 3.41Å; Q162-W164 VanDerWaalsContact C-N 3.31Å; Q162-W164 PolarHBondContact O-N 2.64Å; Q162-I166 WeakPolarHBondContact O-CB 3.44Å; Q162-I166 VanDerWaalsContact O-CD1 3.3Å; Q162-I166 WeakPolarHBondContact O-CD1 3.44Å; Q162-I166 WeakPolarHBondContact O-CG1 3.38Å; Q162-I166 PolarHBondContact O-N 2.98Å
163R96.3Very high95.2Very high0 Ų053.1 Ų53.10%026%0.26CS..Hα-helixtrans-62.9-40.2173.8-72.9177.9-152.9-90.7-2.4111.7I87 F89 S90 P158 M159 I160 E161 I166 I167I87-R163 HydrophobicContact CB-CB 4.13Å; I87-R163 HydrophobicContact CB-CG 3.96Å; I87-R163 HydrophobicContact CG2-CB 3.71Å; I87-R163 HydrophobicContact CG2-CG 3.99Å; I87-R163 WeakPolarHBondContact CG2-O 3.44Å; I87-R163 PolarHBondContact O-NH1 2.77Å; F89-R163 HydrophobicContact CE1-CG 3.95Å; F89-R163 HydrophobicContact CE2-CG 4.35Å; F89-R163 HydrophobicContact CZ-CG 3.61Å; F89-R163 PolarHBondContact O-NH1 3.07Å; F89-R163 PolarHBondContact O-NH2 2.7Å; S90-R163 PolarHBondContact O-NH2 3.32Å; P158-R163 PolarHBondContact O-NE 3.5Å; P158-R163 PolarHBondContact O-NH2 3.05Å; M159-R163 VanDerWaalsContact O-CG 3.31Å; M159-R163 WeakPolarHBondContact O-CG 3.22Å; M159-R163 PolarHBondContact O-N 3.23Å; I160-R163 PolarHBondContact O-N 3.36Å; E161-R163 VanDerWaalsContact C-N 3.3Å; E161-R163 PolarHBondContact O-N 3.31Å; R163-I166 PolarHBondContact O-N 3.39Å; R163-I167 WeakPolarHBondContact O-CG1 3.31Å; R163-I167 PolarHBondContact O-N 2.78Å
164W97Very high95.5Very high18 Ų1847.3 Ų47.37%0.06824%0.238CC..Hα-helixtrans-64.2-47.7177.8177-119.5000111.9I137 M140 F142 F145 I160 E161 Q162 I166 I167 R168I137-W164 HydrophobicContact CG2-CH2 4.41Å; I137-W164 HydrophobicContact CG2-CZ3 4.39Å; I137-W164 WeakPolarHBondContact O-CH2 3.49Å; M140-W164 HydrophobicContact CB-CH2 3.99Å; M140-W164 HydrophobicContact CG-CH2 4.2Å; M140-W164 VanDerWaalsContact O-CH2 3.25Å; M140-W164 WeakPolarHBondContact O-CH2 3.48Å; M140-W164 WeakPolarHBondContact O-CZ2 3.46Å; M140-W164 HydrophobicContact SD-CH2 4.42Å; M140-W164 HydrophobicContact SD-CZ3 4.31Å; F142-W164 HydrophobicContact CD2-CB 3.75Å; F142-W164 AromaticContact CD2-CD1 3.37Å; F142-W164 HydrophobicContact CD2-CD2 4.17Å; F142-W164 AromaticContact CD2-CG 3.47Å; F142-W164 HydrophobicContact CD2-CG 3.47Å; F142-W164 VanDerWaalsContact CD2-CG 3.47Å; F142-W164 AromaticContact CD2-NE1 3.94Å; F142-W164 HydrophobicContact CE2-CB 3.9Å; F142-W164 HydrophobicContact CE2-CG 4.15Å; F142-W164 AromaticContact CG-CD1 3.93Å; F142-W164 HydrophobicContact CG-CG 4.4Å; F145-W164 HydrophobicContact CB-CD2 4.21Å; F145-W164 HydrophobicContact CB-CE3 3.63Å; F145-W164 HydrophobicContact CB-CH2 4.43Å; F145-W164 HydrophobicContact CB-CZ3 3.76Å; F145-W164 HydrophobicContact CD1-CB 3.82Å; F145-W164 HydrophobicContact CD1-CD2 4Å; F145-W164 AromaticContact CD1-CE3 3.55Å; F145-W164 HydrophobicContact CD1-CE3 3.55Å; F145-W164 HydrophobicContact CD1-CG 4.16Å; F145-W164 HydrophobicContact CD1-CZ3 4.44Å; F145-W164 AromaticContact CD2-CE3 3.76Å; F145-W164 HydrophobicContact CD2-CE3 3.76Å; F145-W164 AromaticContact CD2-CZ3 3.95Å; F145-W164 HydrophobicContact CD2-CZ3 3.95Å; F145-W164 HydrophobicContact CE1-CB 3.85Å; F145-W164 HydrophobicContact CE1-CE3 4.07Å; F145-W164 HydrophobicContact CE2-CE3 4.28Å; F145-W164 HydrophobicContact CG-CD2 4.14Å; F145-W164 AromaticContact CG-CE3 3.35Å; F145-W164 HydrophobicContact CG-CE3 3.35Å; F145-W164 AromaticContact CG-CZ3 3.8Å; F145-W164 HydrophobicContact CG-CZ3 3.8Å; F145-W164 HydrophobicContact CZ-CE3 4.42Å; I160-W164 WeakPolarHBondContact O-CB 3.24Å; I160-W164 PolarHBondContact O-N 2.98Å; E161-W164 WeakPolarHBondContact O-CB 3.43Å; E161-W164 PolarHBondContact O-N 3.39Å; E161-W164 VanDerWaalsContact O-N 3.08Å; Q162-W164 VanDerWaalsContact C-N 3.31Å; Q162-W164 PolarHBondContact O-N 2.64Å; W164-I166 VanDerWaalsContact C-N 3.34Å; W164-I166 PolarHBondContact O-N 3.01Å; W164-I167 PolarHBondContact O-N 3.27Å; W164-R168 HydrophobicContact CD2-CG 4.07Å; W164-R168 HydrophobicContact CE3-CG 4.35Å; W164-R168 HydrophobicContact CH2-CG 3.99Å; W164-R168 VanDerWaalsContact CZ2-CD 3.46Å; W164-R168 HydrophobicContact CZ2-CG 3.7Å; W164-R168 HydrophobicContact CZ3-CG 4.32Å; W164-R168 WeakPolarHBondContact O-CG 3.42Å; W164-R168 PolarHBondContact O-N 3.43Å
165E97.2Very high95.9Very high117 Ų11747.4 Ų47.455%0.54723%0.23SC..Hα-helixtrans-54.8-49.8174.5-69.8171.5169.800111.2E161 I167 R168 D169E161-E165 WeakPolarHBondContact O-CG 3.03Å; E161-E165 PolarHBondContact O-N 3.03Å; E165-I167 PolarHBondContact O-N 3.49Å; E165-R168 PolarHBondContact O-N 2.8Å; E165-D169 PolarHBondContact O-N 3.42Å
166I96.8Very high96.2Very high31 Ų3153.5 Ų53.516%0.15926%0.257CS..Hα-helixtrans-58.6-44.9179.2-73.2162.7000112.2C86 I87 F89 Q162 R163 W164 A170 R206C86-I166 HydrophobicContact CB-CG2 3.88Å; I87-I166 HydrophobicContact CG2-CG2 4.28Å; F89-I166 HydrophobicContact CE1-CD1 3.52Å; F89-I166 HydrophobicContact CZ-CD1 3.49Å; F89-I166 VanDerWaalsContact CZ-CD1 3.49Å; Q162-I166 WeakPolarHBondContact O-CB 3.44Å; Q162-I166 VanDerWaalsContact O-CD1 3.3Å; Q162-I166 WeakPolarHBondContact O-CD1 3.44Å; Q162-I166 WeakPolarHBondContact O-CG1 3.38Å; Q162-I166 PolarHBondContact O-N 2.98Å; R163-I166 PolarHBondContact O-N 3.39Å; W164-I166 VanDerWaalsContact C-N 3.34Å; W164-I166 PolarHBondContact O-N 3.01Å; I166-A170 VanDerWaalsContact O-CB 3.28Å; I166-A170 WeakPolarHBondContact O-CB 3.34Å; I166-A170 PolarHBondContact O-N 2.62Å; I166-R206 HydrophobicContact CD1-CG 4.27Å; I166-R206 HydrophobicContact CG1-CG 4.44Å; I166-R206 HydrophobicContact CG2-CB 4.38Å; I166-R206 HydrophobicContact CG2-CG 3.93Å
167I96.3Very high96.5Very high0 Ų056 Ų560%026%0.263CS..Hα-helixtrans-66.2-41.8-179.9-74.3165.7000110.7F83 I87 F132 I137 F145 R163 W164 E165 A170 A171F83-I167 HydrophobicContact CD1-CG2 4.05Å; F83-I167 HydrophobicContact CE1-CG2 4.34Å; I87-I167 HydrophobicContact CB-CD1 4.22Å; I87-I167 HydrophobicContact CB-CG1 4.5Å; I87-I167 HydrophobicContact CD1-CD1 3.63Å; I87-I167 HydrophobicContact CG1-CD1 3.88Å; I87-I167 HydrophobicContact CG1-CG1 4.43Å; I87-I167 HydrophobicContact CG2-CD1 3.43Å; I87-I167 VanDerWaalsContact CG2-CD1 3.43Å; I87-I167 HydrophobicContact CG2-CG1 3.37Å; F132-I167 HydrophobicContact CZ-CD1 4.05Å; F132-I167 HydrophobicContact CZ-CG2 4.43Å; I137-I167 HydrophobicContact CB-CG2 4.33Å; I137-I167 HydrophobicContact CD1-CG2 3.43Å; I137-I167 VanDerWaalsContact CD1-CG2 3.43Å; I137-I167 HydrophobicContact CG1-CG2 3.77Å; I137-I167 HydrophobicContact CG2-CG2 3.61Å; F145-I167 HydrophobicContact CE2-CD1 3.8Å; F145-I167 HydrophobicContact CZ-CD1 3.72Å; R163-I167 WeakPolarHBondContact O-CG1 3.31Å; R163-I167 PolarHBondContact O-N 2.78Å; W164-I167 PolarHBondContact O-N 3.27Å; E165-I167 PolarHBondContact O-N 3.49Å; I167-A170 PolarHBondContact O-N 3.33Å; I167-A171 VanDerWaalsContact O-CB 3.26Å; I167-A171 WeakPolarHBondContact O-CB 3.25Å; I167-A171 PolarHBondContact O-N 3.07Å
168R97.4Very high96.7Very high123 Ų12356.3 Ų56.346%0.46426%0.264SS..Hα-helixtrans-63.5-43.7178.1-73.1-172.574.1-1635.2112.1I137 W164 E165 A171 K172I137-R168 HydrophobicContact CG2-CG 4.09Å; W164-R168 HydrophobicContact CD2-CG 4.07Å; W164-R168 HydrophobicContact CE3-CG 4.35Å; W164-R168 HydrophobicContact CH2-CG 3.99Å; W164-R168 VanDerWaalsContact CZ2-CD 3.46Å; W164-R168 HydrophobicContact CZ2-CG 3.7Å; W164-R168 HydrophobicContact CZ3-CG 4.32Å; W164-R168 WeakPolarHBondContact O-CG 3.42Å; W164-R168 PolarHBondContact O-N 3.43Å; E165-R168 PolarHBondContact O-N 2.8Å; R168-A171 PolarHBondContact O-N 2.85Å; R168-K172 WeakPolarHBondContact O-CB 3.46Å; R168-K172 PolarHBondContact O-N 3.06Å
169D97.4Very high97Very high104 Ų10457.8 Ų57.856%0.55628%0.284SS*.Hα-helixtrans-65-43.4177.9-73.7-15.9000111.2E165 A171 K172 T173E165-D169 PolarHBondContact O-N 3.42Å; D169-A171 PolarHBondContact O-N 3.31Å; D169-K172 PolarHBondContact O-N 3.25Å; D169-T173 PolarHBondContact O-N 2.94Å; D169-T173 PolarHBondContact O-OG1 3.2Å
170A97.8Very high97.1Very high8 Ų854 Ų547%0.06627%0.266CS..Hα-helixtrans-62.4-42.6175.600000112F82 F83 I166 I167 T173 L174 F204F82-A170 HydrophobicContact CE1-CB 3.87Å; F82-A170 HydrophobicContact CZ-CB 4Å; F83-A170 HydrophobicContact CE1-CB 4.29Å; I166-A170 VanDerWaalsContact O-CB 3.28Å; I166-A170 WeakPolarHBondContact O-CB 3.34Å; I166-A170 PolarHBondContact O-N 2.62Å; I167-A170 PolarHBondContact O-N 3.33Å; A170-T173 PolarHBondContact O-N 2.96Å; A170-L174 WeakPolarHBondContact O-CG 3.41Å; A170-L174 PolarHBondContact O-N 3.21Å; A170-F204 HydrophobicContact CB-CD1 4.39Å
171A97.8Very high97.3Very high0 Ų056.7 Ų56.70%028%0.278CS..Hα-helixtrans-61.5-48.3175.500000111.6F83 P134 I137 I167 R168 D169 T173 L174 E175F83-A171 HydrophobicContact CE1-CB 3.94Å; F83-A171 HydrophobicContact CZ-CB 4.06Å; P134-A171 HydrophobicContact CB-CB 3.86Å; I137-A171 HydrophobicContact CB-CB 4.02Å; I137-A171 HydrophobicContact CD1-CB 4.26Å; I137-A171 HydrophobicContact CG2-CB 3.61Å; I167-A171 VanDerWaalsContact O-CB 3.26Å; I167-A171 WeakPolarHBondContact O-CB 3.25Å; I167-A171 PolarHBondContact O-N 3.07Å; R168-A171 PolarHBondContact O-N 2.85Å; D169-A171 PolarHBondContact O-N 3.31Å; A171-T173 VanDerWaalsContact C-N 3.32Å; A171-T173 PolarHBondContact O-N 3.19Å; A171-L174 PolarHBondContact O-N 3.34Å; A171-L174 VanDerWaalsContact O-N 3.16Å; A171-E175 PolarHBondContact O-N 3.14Å
172K97.7Very high97.3Very high112 Ų11251.4 Ų51.449%0.48725%0.253SS..Hα-helixtrans-57.2-45.3176.8-179.1-179.2175.2-175.40111.5R168 D169 E175 Q176R168-K172 WeakPolarHBondContact O-CB 3.46Å; R168-K172 PolarHBondContact O-N 3.06Å; D169-K172 PolarHBondContact O-N 3.25Å; K172-E175 PolarHBondContact O-N 3.45Å; K172-Q176 VanDerWaalsContact CE-NE2 3.32Å; K172-Q176 HydrophobicContact CG-CG 4.41Å; K172-Q176 WeakPolarHBondContact O-CB 3.19Å; K172-Q176 VanDerWaalsContact O-CG 3.26Å; K172-Q176 WeakPolarHBondContact O-CG 3.43Å; K172-Q176 PolarHBondContact O-N 3.43Å
173T98.2Very high97.4Very high26 Ų2649.8 Ų49.816%0.1625%0.245CC..Hα-helixtrans-62.5-42.3176.8-65.60000112D169 A170 A171 Q176 K177 F178 N203 F204D169-T173 PolarHBondContact O-N 2.94Å; D169-T173 PolarHBondContact O-OG1 3.2Å; A170-T173 PolarHBondContact O-N 2.96Å; A171-T173 VanDerWaalsContact C-N 3.32Å; A171-T173 PolarHBondContact O-N 3.19Å; T173-Q176 PolarHBondContact O-N 3.41Å; T173-K177 HydrophobicContact CG2-CD 4.33Å; T173-K177 WeakPolarHBondContact O-CB 3.35Å; T173-K177 PolarHBondContact O-N 3.11Å; T173-F178 HydrophobicContact CG2-CD2 4.45Å; T173-F178 HydrophobicContact CG2-CE2 4.15Å; T173-N203 HydrophobicContact CG2-CB 4.09Å; T173-F204 HydrophobicContact CG2-CD1 3.95Å; T173-F204 HydrophobicContact CG2-CE1 3.42Å; T173-F204 VanDerWaalsContact CG2-CE1 3.42Å; T173-F204 HydrophobicContact CG2-CE2 4.35Å; T173-F204 HydrophobicContact CG2-CZ 3.66Å
174L98.1Very high97.5Very high0 Ų052.5 Ų52.50%026%0.259CS..Hα-helixtrans-62.4-46.3176.3-75.5-179.4000112.3F82 F83 P134 A170 A171 F178 G179 G180 F182 F204F82-L174 HydrophobicContact CD1-CD1 3.7Å; F82-L174 HydrophobicContact CE1-CD1 3.51Å; F82-L174 HydrophobicContact CE1-CG 4.02Å; F82-L174 HydrophobicContact CZ-CD1 4.44Å; F83-L174 HydrophobicContact CE1-CD1 4.37Å; F83-L174 HydrophobicContact CE2-CD1 4.37Å; F83-L174 HydrophobicContact CZ-CD1 3.88Å; P134-L174 HydrophobicContact CG-CB 3.95Å; P134-L174 HydrophobicContact CG-CD1 4.16Å; A170-L174 WeakPolarHBondContact O-CG 3.41Å; A170-L174 PolarHBondContact O-N 3.21Å; A171-L174 PolarHBondContact O-N 3.34Å; A171-L174 VanDerWaalsContact O-N 3.16Å; L174-F178 HydrophobicContact CD2-CB 4.07Å; L174-F178 HydrophobicContact CD2-CD2 4.19Å; L174-F178 HydrophobicContact CD2-CG 4.43Å; L174-F178 CarbonylContact O-C 3.5Å; L174-F178 WeakPolarHBondContact O-CA 3.48Å; L174-F178 PolarHBondContact O-N 3.37Å; L174-G179 PolarHBondContact O-N 2.76Å; L174-G179 VanDerWaalsContact O-N 3.16Å; L174-G180 PolarHBondContact O-N 2.88Å; L174-F182 HydrophobicContact CD1-CB 4.45Å; L174-F182 HydrophobicContact CD2-CB 4.32Å; L174-F182 HydrophobicContact CD2-CD2 4.47Å; L174-F204 HydrophobicContact CD2-CE1 4.37Å; L174-F204 HydrophobicContact CD2-CZ 3.8Å; L174-F204 HydrophobicContact CG-CE1 4.27Å; L174-F204 HydrophobicContact CG-CZ 4.21Å
175E97.2Very high97.5Very high85 Ų8551.6 Ų51.640%0.39726%0.256SS..Hα-helixtrans-57.6-51.9175.5-76.7-70.7168.500111.2P134 S135 A171 K172P134-E175 HydrophobicContact CB-CG 3.48Å; P134-E175 VanDerWaalsContact CB-CG 3.48Å; P134-E175 WeakPolarHBondContact CB-OE1 3.31Å; P134-E175 HydrophobicContact CG-CG 4.47Å; S135-E175 PolarHBondContact N-OE1 3.02Å; A171-E175 PolarHBondContact O-N 3.14Å; K172-E175 PolarHBondContact O-N 3.45Å
176Q97.3Very high97.6Very high134 Ų13446 Ų4663%0.62623%0.23SC*.Hα-helixtrans-72.1-34.5-171-70.3-179.8-20.100113.9K172 T173K172-Q176 VanDerWaalsContact CE-NE2 3.32Å; K172-Q176 HydrophobicContact CG-CG 4.41Å; K172-Q176 WeakPolarHBondContact O-CB 3.19Å; K172-Q176 VanDerWaalsContact O-CG 3.26Å; K172-Q176 WeakPolarHBondContact O-CG 3.43Å; K172-Q176 PolarHBondContact O-N 3.43Å; T173-Q176 PolarHBondContact O-N 3.41Å
177K97.7Very high97.6Very high113 Ų11350.7 Ų50.749%0.49125%0.249SC..Hα-helixtrans-118.1-18.9-168.8-64.3-175.3174-177.70114.8T173 N203T173-K177 HydrophobicContact CG2-CD 4.33Å; T173-K177 WeakPolarHBondContact O-CB 3.35Å; T173-K177 PolarHBondContact O-N 3.11Å; K177-N203 VanDerWaalsContact CD-OD1 3.22Å; K177-N203 WeakPolarHBondContact CD-OD1 3.42Å; K177-N203 PolarHBondContact NZ-OD1 2.94Å
178F98.1Very high97.7Very high7 Ų758.3 Ų58.33%0.03128%0.278CS..Hα-helixtrans-134.424.1-169.7-56.7-76.6000112.4T173 L174 G180 H181 N184 C185 I199 N203 F204T173-F178 HydrophobicContact CG2-CD2 4.45Å; T173-F178 HydrophobicContact CG2-CE2 4.15Å; L174-F178 HydrophobicContact CD2-CB 4.07Å; L174-F178 HydrophobicContact CD2-CD2 4.19Å; L174-F178 HydrophobicContact CD2-CG 4.43Å; L174-F178 CarbonylContact O-C 3.5Å; L174-F178 WeakPolarHBondContact O-CA 3.48Å; L174-F178 PolarHBondContact O-N 3.37Å; F178-G180 PolarHBondContact O-N 3.36Å; F178-G180 VanDerWaalsContact O-N 3.12Å; F178-H181 PolarHBondContact O-N 2.99Å; F178-N184 HydrophobicContact CB-CB 4.12Å; F178-N184 VanDerWaalsContact O-CB 3.29Å; F178-N184 WeakPolarHBondContact O-CB 3.49Å; F178-N184 PolarHBondContact O-ND2 3.16Å; F178-C185 HydrophobicContact CD1-CB 4.27Å; F178-C185 WeakPolarHBondContact CD1-SG 3.39Å; F178-C185 VanDerWaalsContact CD2-SG 3.58Å; F178-C185 HydrophobicContact CE1-CB 4.35Å; F178-C185 WeakPolarHBondContact CG-SG 3.41Å; F178-I199 HydrophobicContact CE1-CG2 3.96Å; F178-I199 HydrophobicContact CZ-CG2 3.77Å; F178-N203 HydrophobicContact CE2-CB 3.98Å; F178-N203 HydrophobicContact CZ-CB 4.15Å; F178-F204 HydrophobicContact CD2-CZ 4.17Å; F178-F204 HydrophobicContact CE2-CE2 4.03Å; F178-F204 HydrophobicContact CE2-CZ 4.01Å
179G96.9Very high97.7Very high54 Ų5452.5 Ų52.556%0.55726%0.256SS*.THydrogen-bonded Turntrans55.933.1174.700000113.8L174 H181L174-G179 PolarHBondContact O-N 2.76Å; L174-G179 VanDerWaalsContact O-N 3.16Å; G179-H181 VanDerWaalsContact C-N 3.32Å; G179-H181 PolarHBondContact O-CD2 2.98Å; G179-H181 VanDerWaalsContact O-CD2 3.29Å; G179-H181 PolarHBondContact O-N 3.23Å
180G96.9Very high97.7Very high5 Ų553.5 Ų53.55%0.05226%0.261CS..THydrogen-bonded Turntrans77.36.2176.700000115.9P134 L174 F178P134-G180 WeakPolarHBondContact CD-O 3.43Å; P134-G180 VanDerWaalsContact CG-O 3.22Å; P134-G180 WeakPolarHBondContact CG-O 3.24Å; L174-G180 PolarHBondContact O-N 2.88Å; F178-G180 PolarHBondContact O-N 3.36Å; F178-G180 VanDerWaalsContact O-N 3.12Å
181H97.5Very high97.7Very high71 Ų7154 Ų5433%0.32926%0.262SS..  trans-134132-175.1-66.3-67.1000113I75 D79 F178 G179 Y183 N184I75-H181 HydrophobicContact CG2-CB 4.22Å; D79-H181 WeakPolarHBondContact OD1-CA 3.34Å; D79-H181 IonicContact OD1-ND1 2.68Å; D79-H181 IonicContact OD2-CE1 3.9Å; D79-H181 IonicContact OD2-CG 3.14Å; D79-H181 IonicContact OD2-ND1 3.61Å; D79-H181 PolarHBondContact OD2-ND1 3.21Å; F178-H181 PolarHBondContact O-N 2.99Å; G179-H181 VanDerWaalsContact C-N 3.32Å; G179-H181 PolarHBondContact O-CD2 2.98Å; G179-H181 VanDerWaalsContact O-CD2 3.29Å; G179-H181 PolarHBondContact O-N 3.23Å; H181-Y183 PolarHBondContact O-N 2.98Å; H181-N184 WeakPolarHBondContact O-CB 3.26Å; H181-N184 PolarHBondContact O-N 3.4Å; H181-N184 VanDerWaalsContact O-N 3.08Å
182F97.8Very high97.6Very high0 Ų056 Ų560%027%0.272CS..Hα-helixtrans-65.3-27174.2-176.9-117.3000112D79 F82 L174 N184 C185 I186 L196 L200 L227 V231D79-F182 PolarHBondContact OD1-N 3.07Å; F82-F182 HydrophobicContact CB-CB 3.93Å; F82-F182 HydrophobicContact CB-CD1 3.73Å; F82-F182 HydrophobicContact CB-CD2 4.17Å; F82-F182 HydrophobicContact CB-CE1 4.29Å; F82-F182 HydrophobicContact CB-CG 3.66Å; F82-F182 HydrophobicContact CD1-CB 4.39Å; F82-F182 HydrophobicContact CD1-CD2 4.46Å; F82-F182 HydrophobicContact CD1-CG 4.48Å; F82-F182 HydrophobicContact CD2-CD1 4.27Å; F82-F182 AromaticContact CD2-CD2 3.38Å; F82-F182 HydrophobicContact CD2-CD2 3.38Å; F82-F182 HydrophobicContact CD2-CE1 4.34Å; F82-F182 AromaticContact CD2-CE2 3.51Å; F82-F182 HydrophobicContact CD2-CE2 3.51Å; F82-F182 AromaticContact CD2-CG 3.81Å; F82-F182 HydrophobicContact CD2-CG 3.81Å; F82-F182 HydrophobicContact CD2-CZ 4.01Å; F82-F182 AromaticContact CE2-CD2 3.83Å; F82-F182 HydrophobicContact CE2-CD2 3.83Å; F82-F182 AromaticContact CE2-CE2 3.89Å; F82-F182 HydrophobicContact CE2-CE2 3.89Å; F82-F182 HydrophobicContact CG-CB 4.04Å; F82-F182 HydrophobicContact CG-CD1 4.23Å; F82-F182 AromaticContact CG-CD2 3.74Å; F82-F182 HydrophobicContact CG-CD2 3.74Å; F82-F182 HydrophobicContact CG-CE2 4.29Å; F82-F182 AromaticContact CG-CG 3.73Å; F82-F182 HydrophobicContact CG-CG 3.73Å; L174-F182 HydrophobicContact CD1-CB 4.45Å; L174-F182 HydrophobicContact CD2-CB 4.32Å; L174-F182 HydrophobicContact CD2-CD2 4.47Å; F182-N184 PolarHBondContact O-N 3.23Å; F182-N184 VanDerWaalsContact O-N 3.16Å; F182-C185 HydrophobicContact CD2-CB 3.91Å; F182-C185 HydrophobicContact CE2-CB 3.92Å; F182-C185 WeakPolarHBondContact O-CA 3.46Å; F182-C185 VanDerWaalsContact O-CB 3.24Å; F182-C185 WeakPolarHBondContact O-CB 3.37Å; F182-C185 PolarHBondContact O-N 2.9Å; F182-I186 HydrophobicContact CD1-CD1 3.83Å; F182-I186 HydrophobicContact CD1-CG1 4.42Å; F182-I186 HydrophobicContact CE1-CD1 3.73Å; F182-I186 HydrophobicContact CE1-CG1 4.06Å; F182-I186 HydrophobicContact CZ-CG1 4.37Å; F182-I186 PolarHBondContact O-N 2.96Å; F182-L196 HydrophobicContact CE2-CD1 4.4Å; F182-L196 HydrophobicContact CZ-CD1 4.15Å; F182-L196 HydrophobicContact CZ-CD2 4.45Å; F182-L200 HydrophobicContact CE2-CD2 3.83Å; F182-L200 HydrophobicContact CZ-CD2 4.24Å; F182-L227 HydrophobicContact CE1-CD1 3.96Å; F182-L227 HydrophobicContact CE1-CD2 4.32Å; F182-L227 HydrophobicContact CE1-CG 4.3Å; F182-L227 HydrophobicContact CE2-CD2 4.2Å; F182-L227 HydrophobicContact CZ-CD1 4.17Å; F182-L227 HydrophobicContact CZ-CD2 3.69Å; F182-L227 HydrophobicContact CZ-CG 4.05Å; F182-V231 HydrophobicContact CE1-CG2 3.66Å; F182-V231 HydrophobicContact CZ-CG2 4.42Å
183Y97.5Very high97.6Very high38 Ų3850.7 Ų50.715%0.14925%0.25CC..Hα-helixtrans-53.7-33.6170.8-178.3-101.3000112.9F74 I75 L78 H181 C185 I186 K187 F191 F235F74-Y183 HydrophobicContact CE1-CD2 4.1Å; F74-Y183 AromaticContact CE1-CE2 3.84Å; F74-Y183 HydrophobicContact CE1-CE2 3.84Å; I75-Y183 HydrophobicContact CD1-CD1 4.32Å; I75-Y183 HydrophobicContact CG1-CD1 4.39Å; I75-Y183 HydrophobicContact CG1-CD2 4.46Å; I75-Y183 HydrophobicContact CG1-CG 4.1Å; L78-Y183 HydrophobicContact CD1-CD2 3.73Å; H181-Y183 PolarHBondContact O-N 2.98Å; Y183-C185 VanDerWaalsContact C-N 3.32Å; Y183-C185 PolarHBondContact O-N 3.16Å; Y183-I186 PolarHBondContact O-N 2.88Å; Y183-K187 WeakPolarHBondContact O-CB 3.39Å; Y183-K187 PolarHBondContact O-N 2.99Å; Y183-F191 HydrophobicContact CE2-CE1 4.21Å; Y183-F235 HydrophobicContact CE2-CZ 4.24Å
184N98.3Very high97.5Very high56 Ų5649.7 Ų49.730%0.29924%0.244SC..Hα-helixtrans-72-26.4177.8-68.6-29.8000112.6F178 H181 F182 R188F178-N184 HydrophobicContact CB-CB 4.12Å; F178-N184 VanDerWaalsContact O-CB 3.29Å; F178-N184 WeakPolarHBondContact O-CB 3.49Å; F178-N184 PolarHBondContact O-ND2 3.16Å; H181-N184 WeakPolarHBondContact O-CB 3.26Å; H181-N184 PolarHBondContact O-N 3.4Å; H181-N184 VanDerWaalsContact O-N 3.08Å; F182-N184 PolarHBondContact O-N 3.23Å; F182-N184 VanDerWaalsContact O-N 3.16Å; N184-R188 VanDerWaalsContact O-CB 3.26Å; N184-R188 WeakPolarHBondContact O-CB 3.35Å; N184-R188 PolarHBondContact O-N 3.47Å
185C98.5Very high97.5Very high0 Ų052.5 Ų52.50%026%0.257CS..Hα-helixtrans-63.7-46.8167.3-54.80000110.5F178 F182 Y183 R188 A189 L196 I199F178-C185 HydrophobicContact CD1-CB 4.27Å; F178-C185 WeakPolarHBondContact CD1-SG 3.39Å; F178-C185 VanDerWaalsContact CD2-SG 3.58Å; F178-C185 HydrophobicContact CE1-CB 4.35Å; F178-C185 WeakPolarHBondContact CG-SG 3.41Å; F182-C185 HydrophobicContact CD2-CB 3.91Å; F182-C185 HydrophobicContact CE2-CB 3.92Å; F182-C185 WeakPolarHBondContact O-CA 3.46Å; F182-C185 VanDerWaalsContact O-CB 3.24Å; F182-C185 WeakPolarHBondContact O-CB 3.37Å; F182-C185 PolarHBondContact O-N 2.9Å; Y183-C185 VanDerWaalsContact C-N 3.32Å; Y183-C185 PolarHBondContact O-N 3.16Å; C185-R188 PolarHBondContact O-N 3.28Å; C185-A189 WeakPolarHBondContact O-CB 3.46Å; C185-A189 PolarHBondContact O-N 3.07Å; C185-L196 HydrophobicContact CB-CD1 4.18Å; C185-I199 HydrophobicContact CB-CG2 4.17Å
186I98.3Very high97.6Very high0 Ų048.5 Ų48.50%024%0.238CC..Hα-helixtrans-64.3-42180-61.8158.5000111.3L78 F182 Y183 A189 N190 F191 L196 V231 F235 F244L78-I186 HydrophobicContact CD1-CD1 3.94Å; L78-I186 HydrophobicContact CD2-CD1 3.92Å; L78-I186 HydrophobicContact CG-CD1 4.43Å; F182-I186 HydrophobicContact CD1-CD1 3.83Å; F182-I186 HydrophobicContact CD1-CG1 4.42Å; F182-I186 HydrophobicContact CE1-CD1 3.73Å; F182-I186 HydrophobicContact CE1-CG1 4.06Å; F182-I186 HydrophobicContact CZ-CG1 4.37Å; F182-I186 PolarHBondContact O-N 2.96Å; Y183-I186 PolarHBondContact O-N 2.88Å; I186-A189 WeakPolarHBondContact O-CB 3.38Å; I186-A189 PolarHBondContact O-N 3.18Å; I186-N190 PolarHBondContact O-N 3.47Å; I186-F191 HydrophobicContact CG2-CD1 3.79Å; I186-F191 HydrophobicContact CG2-CE1 4.26Å; I186-F191 PolarHBondContact O-N 3.1Å; I186-L196 HydrophobicContact CG1-CD1 4.11Å; I186-L196 HydrophobicContact CG1-CD2 3.92Å; I186-V231 HydrophobicContact CD1-CG1 3.68Å; I186-V231 HydrophobicContact CD1-CG2 4.03Å; I186-V231 HydrophobicContact CG1-CG1 4.17Å; I186-F235 HydrophobicContact CD1-CE2 4.27Å; I186-F235 HydrophobicContact CG2-CE2 3.96Å; I186-F235 HydrophobicContact CG2-CZ 3.76Å; I186-F244 HydrophobicContact CG2-CD2 4.05Å; I186-F244 HydrophobicContact CG2-CE2 4.05Å
187K97.8Very high97.6Very high129 Ų12942.1 Ų42.156%0.56121%0.208SC*.Hα-helixtrans-63.9-42.7175.1-175179.2177.3-177.40111.6Y183 A189 N190 F191Y183-K187 WeakPolarHBondContact O-CB 3.39Å; Y183-K187 PolarHBondContact O-N 2.99Å; K187-A189 VanDerWaalsContact C-N 3.27Å; K187-A189 PolarHBondContact O-N 3.3Å; K187-N190 PolarHBondContact O-N 3.44Å; K187-F191 HydrophobicContact CB-CZ 4.4Å; K187-F191 HydrophobicContact CG-CZ 4.37Å
188R98Very high97.6Very high160 Ų16037.4 Ų37.460%0.60419%0.19SC*.Hα-helixtrans-65.3-31.4175.9-174.3177.8176.2158.8-5.1112.1N184 C185 N190 I199N184-R188 VanDerWaalsContact O-CB 3.26Å; N184-R188 WeakPolarHBondContact O-CB 3.35Å; N184-R188 PolarHBondContact O-N 3.47Å; C185-R188 PolarHBondContact O-N 3.28Å; R188-N190 PolarHBondContact O-N 3.28Å; R188-I199 HydrophobicContact CB-CD1 3.92Å; R188-I199 HydrophobicContact CG-CD1 3.81Å
189A97.8Very high97.7Very high1 Ų137.7 Ų37.71%0.00819%0.192CC..THydrogen-bonded Turntrans-72.32.5171.500000113.8C185 I186 K187 F191 D192 Q195 L196 I199C185-A189 WeakPolarHBondContact O-CB 3.46Å; C185-A189 PolarHBondContact O-N 3.07Å; I186-A189 WeakPolarHBondContact O-CB 3.38Å; I186-A189 PolarHBondContact O-N 3.18Å; K187-A189 VanDerWaalsContact C-N 3.27Å; K187-A189 PolarHBondContact O-N 3.3Å; A189-F191 PolarHBondContact O-N 2.91Å; A189-F191 VanDerWaalsContact O-N 3.14Å; A189-D192 WeakPolarHBondContact O-CB 3.42Å; A189-D192 PolarHBondContact O-N 2.97Å; A189-Q195 HydrophobicContact CB-CB 4.08Å; A189-Q195 WeakPolarHBondContact O-CB 3.37Å; A189-L196 HydrophobicContact CB-CB 3.73Å; A189-L196 HydrophobicContact CB-CD1 4.29Å; A189-I199 HydrophobicContact CB-CD1 3.87Å
190N96.9Very high97.7Very high125 Ų12535.1 Ų35.167%0.66817%0.165SC*.THydrogen-bonded Turntrans51.635.7-172.6-164.839.8000113.2I186 K187 R188 D192I186-N190 PolarHBondContact O-N 3.47Å; K187-N190 PolarHBondContact O-N 3.44Å; R188-N190 PolarHBondContact O-N 3.28Å; N190-D192 PolarHBondContact O-N 3.46Å
191F96.9Very high97.8Very high18 Ų1834.9 Ų34.98%0.07916%0.163CC..THydrogen-bonded Turntrans58.824.3-178.8-48.8-89.5000114.1Y183 I186 K187 A189 F235 I242 F244 L245Y183-F191 HydrophobicContact CE2-CE1 4.21Å; I186-F191 HydrophobicContact CG2-CD1 3.79Å; I186-F191 HydrophobicContact CG2-CE1 4.26Å; I186-F191 PolarHBondContact O-N 3.1Å; K187-F191 HydrophobicContact CB-CZ 4.4Å; K187-F191 HydrophobicContact CG-CZ 4.37Å; A189-F191 PolarHBondContact O-N 2.91Å; A189-F191 VanDerWaalsContact O-N 3.14Å; F191-F235 AromaticContact CD1-CE1 3.66Å; F191-F235 HydrophobicContact CD1-CE1 3.66Å; F191-F235 AromaticContact CD1-CZ 3.7Å; F191-F235 HydrophobicContact CD1-CZ 3.7Å; F191-F235 AromaticContact CE1-CE1 3.94Å; F191-F235 HydrophobicContact CE1-CE1 3.94Å; F191-F235 AromaticContact CE1-CZ 3.91Å; F191-F235 HydrophobicContact CE1-CZ 3.91Å; F191-I242 HydrophobicContact CB-CG2 4.28Å; F191-I242 HydrophobicContact CD1-CG2 4.13Å; F191-I242 HydrophobicContact CD2-CD1 4.48Å; F191-I242 HydrophobicContact CD2-CG2 3.65Å; F191-I242 HydrophobicContact CE1-CD1 4.37Å; F191-I242 HydrophobicContact CE1-CG2 4.42Å; F191-I242 HydrophobicContact CE2-CD1 3.73Å; F191-I242 HydrophobicContact CE2-CG2 3.98Å; F191-I242 HydrophobicContact CG-CG2 3.74Å; F191-I242 HydrophobicContact CZ-CD1 3.66Å; F191-I242 HydrophobicContact CZ-CG2 4.35Å; F191-F244 HydrophobicContact CB-CD2 4.26Å; F191-F244 CarbonylContact O-C 3.57Å; F191-F244 WeakPolarHBondContact O-CA 3.45Å; F191-F244 VanDerWaalsContact O-CD2 3.32Å; F191-F244 WeakPolarHBondContact O-CD2 3.33Å; F191-L245 PolarHBondContact O-N 3.44Å
192D96.7Very high97.8Very high41 Ų4136.3 Ų36.322%0.21917%0.169CC..BIsolated β-bridgetrans-104.7134.7178.3-179.9-84.4000111.5A189 N190 A194 Q195 L196A189-D192 WeakPolarHBondContact O-CB 3.42Å; A189-D192 PolarHBondContact O-N 2.97Å; N190-D192 PolarHBondContact O-N 3.46Å; D192-A194 WeakPolarHBondContact OD1-CA 3.29Å; D192-A194 VanDerWaalsContact OD1-CB 3.31Å; D192-A194 WeakPolarHBondContact OD1-CB 3.35Å; D192-A194 PolarHBondContact OD1-N 3.21Å; D192-Q195 HydrophobicContact CB-CB 4.12Å; D192-Q195 HydrophobicContact CB-CG 4.12Å; D192-Q195 PolarHBondContact OD1-N 2.95Å; D192-L196 VanDerWaalsContact O-CB 3.23Å; D192-L196 WeakPolarHBondContact O-CB 3.42Å; D192-L196 PolarHBondContact O-N 3.25Å
193S97Very high97.9Very high2 Ų236.8 Ų36.81%0.01417%0.172CC..Hα-helixtrans-67.5-36.2-17755.80000114.2L197 L245 D247S193-L197 WeakPolarHBondContact O-CB 3.29Å; S193-L197 PolarHBondContact O-N 3.19Å; S193-L245 WeakPolarHBondContact CB-O 3.45Å; S193-L245 PolarHBondContact N-O 2.97Å; S193-L245 PolarHBondContact OG-O 2.68Å; S193-D247 PolarHBondContact OG-N 2.77Å
194A97Very high97.9Very high4 Ų435.2 Ų35.23%0.03317%0.166CC..Hα-helixtrans-70.8-41.1178.600000111F5 V6 D192 L197 S198F5-A194 HydrophobicContact CD1-CB 4.42Å; F5-A194 HydrophobicContact CD2-CB 3.59Å; F5-A194 HydrophobicContact CE1-CB 4.36Å; F5-A194 HydrophobicContact CE2-CB 3.48Å; F5-A194 VanDerWaalsContact CE2-CB 3.48Å; F5-A194 HydrophobicContact CG-CB 4.08Å; F5-A194 HydrophobicContact CZ-CB 3.89Å; V6-A194 WeakPolarHBondContact O-CB 3.49Å; D192-A194 WeakPolarHBondContact OD1-CA 3.29Å; D192-A194 VanDerWaalsContact OD1-CB 3.31Å; D192-A194 WeakPolarHBondContact OD1-CB 3.35Å; D192-A194 PolarHBondContact OD1-N 3.21Å; A194-L197 WeakPolarHBondContact O-CB 3.43Å; A194-L197 PolarHBondContact O-N 3.42Å; A194-S198 PolarHBondContact O-N 2.98Å
195Q97.9Very high97.7Very high60 Ų6036.5 Ų36.528%0.2818%0.177SC..Hα-helixtrans-70.5-35.8176.1-62.5-57.9-44.900112V6 D8 A189 D192 L197 S198 I199V6-Q195 PolarHBondContact O-NE2 2.69Å; D8-Q195 PolarHBondContact OD2-OE1 3.48Å; A189-Q195 HydrophobicContact CB-CB 4.08Å; A189-Q195 WeakPolarHBondContact O-CB 3.37Å; D192-Q195 HydrophobicContact CB-CB 4.12Å; D192-Q195 HydrophobicContact CB-CG 4.12Å; D192-Q195 PolarHBondContact OD1-N 2.95Å; Q195-L197 VanDerWaalsContact C-N 3.34Å; Q195-S198 WeakPolarHBondContact O-CB 3.35Å; Q195-S198 PolarHBondContact O-N 3.27Å; Q195-I199 PolarHBondContact O-N 3.28Å
196L98.3Very high97.5Very high0 Ų040.3 Ų40.30%019%0.192CC..Hα-helixtrans-65.4-41.2173-178.557.1000110.6F182 C185 I186 A189 D192 S198 I199 L200 I228 V231 F244F182-L196 HydrophobicContact CE2-CD1 4.4Å; F182-L196 HydrophobicContact CZ-CD1 4.15Å; F182-L196 HydrophobicContact CZ-CD2 4.45Å; C185-L196 HydrophobicContact CB-CD1 4.18Å; I186-L196 HydrophobicContact CG1-CD1 4.11Å; I186-L196 HydrophobicContact CG1-CD2 3.92Å; A189-L196 HydrophobicContact CB-CB 3.73Å; A189-L196 HydrophobicContact CB-CD1 4.29Å; D192-L196 VanDerWaalsContact O-CB 3.23Å; D192-L196 WeakPolarHBondContact O-CB 3.42Å; D192-L196 PolarHBondContact O-N 3.25Å; L196-S198 VanDerWaalsContact C-N 3.32Å; L196-S198 PolarHBondContact O-N 2.9Å; L196-I199 PolarHBondContact O-N 3.43Å; L196-L200 HydrophobicContact CD1-CG 4.43Å; L196-L200 HydrophobicContact CG-CD1 4.27Å; L196-L200 HydrophobicContact CG-CG 4.5Å; L196-L200 WeakPolarHBondContact O-CB 3.48Å; L196-L200 VanDerWaalsContact O-CG 3.25Å; L196-L200 WeakPolarHBondContact O-CG 3.23Å; L196-L200 PolarHBondContact O-N 3.02Å; L196-I228 HydrophobicContact CD2-CG1 4.08Å; L196-I228 HydrophobicContact CG-CG1 4.31Å; L196-V231 HydrophobicContact CD2-CG2 4.47Å; L196-F244 HydrophobicContact CD2-CE2 3.9Å; L196-F244 HydrophobicContact CD2-CZ 3.81Å
197L98.1Very high97.5Very high0 Ų040.4 Ų40.40%019%0.192CC..Hα-helixtrans-59-44.5172.9-17661.8000111.2F5 C7 L10 S193 A194 Q195 I199 L200 L201 L221 A224 I228 L251F5-L197 HydrophobicContact CE1-CD2 4.44Å; F5-L197 HydrophobicContact CZ-CD2 3.84Å; C7-L197 HydrophobicContact CB-CD2 4.35Å; L10-L197 HydrophobicContact CD1-CD2 4.39Å; S193-L197 WeakPolarHBondContact O-CB 3.29Å; S193-L197 PolarHBondContact O-N 3.19Å; A194-L197 WeakPolarHBondContact O-CB 3.43Å; A194-L197 PolarHBondContact O-N 3.42Å; Q195-L197 VanDerWaalsContact C-N 3.34Å; L197-I199 PolarHBondContact O-N 3.04Å; L197-L200 WeakPolarHBondContact O-CB 3.24Å; L197-L200 PolarHBondContact O-N 3.17Å; L197-L201 HydrophobicContact CD1-CD1 4.32Å; L197-L201 HydrophobicContact CD1-CD2 4.5Å; L197-L201 HydrophobicContact CD1-CG 4.2Å; L197-L201 HydrophobicContact CG-CD1 4.11Å; L197-L201 HydrophobicContact CG-CG 4.38Å; L197-L201 VanDerWaalsContact O-CG 3.31Å; L197-L201 WeakPolarHBondContact O-CG 3.26Å; L197-L201 PolarHBondContact O-N 2.79Å; L197-L221 HydrophobicContact CD1-CD1 4.19Å; L197-L221 HydrophobicContact CD2-CD1 3.96Å; L197-L221 HydrophobicContact CG-CD1 4.48Å; L197-A224 HydrophobicContact CD1-CB 3.53Å; L197-I228 HydrophobicContact CB-CD1 3.83Å; L197-I228 HydrophobicContact CD1-CD1 4.08Å; L197-L251 HydrophobicContact CD2-CD2 4.16Å
198S98.1Very high97.4Very high15 Ų1538.3 Ų38.311%0.10518%0.181CC..Hα-helixtrans-56.7-50.3177.3-170.40000111.6C7 Y9 A194 Q195 L196 L200 L201 E202C7-S198 PolarHBondContact SG-N 3.12Å; Y9-S198 PolarHBondContact N-OG 2.93Å; A194-S198 PolarHBondContact O-N 2.98Å; Q195-S198 WeakPolarHBondContact O-CB 3.35Å; Q195-S198 PolarHBondContact O-N 3.27Å; L196-S198 VanDerWaalsContact C-N 3.32Å; L196-S198 PolarHBondContact O-N 2.9Å; S198-L200 VanDerWaalsContact C-N 3.32Å; S198-L200 PolarHBondContact O-N 3.44Å; S198-L201 PolarHBondContact O-N 3.14Å; S198-E202 WeakPolarHBondContact O-CB 3.39Å; S198-E202 PolarHBondContact O-N 3.26Å
199I98.5Very high97.3Very high13 Ų1331.6 Ų31.67%0.06716%0.156CC..Hα-helixtrans-61-40.4177-71.7166.4000111.7F178 C185 R188 A189 Q195 L196 L197 N203F178-I199 HydrophobicContact CE1-CG2 3.96Å; F178-I199 HydrophobicContact CZ-CG2 3.77Å; C185-I199 HydrophobicContact CB-CG2 4.17Å; R188-I199 HydrophobicContact CB-CD1 3.92Å; R188-I199 HydrophobicContact CG-CD1 3.81Å; A189-I199 HydrophobicContact CB-CD1 3.87Å; Q195-I199 PolarHBondContact O-N 3.28Å; L196-I199 PolarHBondContact O-N 3.43Å; L197-I199 PolarHBondContact O-N 3.04Å; I199-N203 WeakPolarHBondContact O-CB 3.43Å; I199-N203 PolarHBondContact O-N 2.89Å; I199-N203 PolarHBondContact O-ND2 3.01Å
200L98.5Very high97.2Very high0 Ų034.4 Ų34.40%017%0.169CC..Hα-helixtrans-61-48.2177.6-76.3172000111.4F82 F182 L196 L197 S198 N203 F204 F207 A224 L227 I228F82-L200 HydrophobicContact CE2-CD2 4.33Å; F182-L200 HydrophobicContact CE2-CD2 3.83Å; F182-L200 HydrophobicContact CZ-CD2 4.24Å; L196-L200 HydrophobicContact CD1-CG 4.43Å; L196-L200 HydrophobicContact CG-CD1 4.27Å; L196-L200 HydrophobicContact CG-CG 4.5Å; L196-L200 WeakPolarHBondContact O-CB 3.48Å; L196-L200 VanDerWaalsContact O-CG 3.25Å; L196-L200 WeakPolarHBondContact O-CG 3.23Å; L196-L200 PolarHBondContact O-N 3.02Å; L197-L200 WeakPolarHBondContact O-CB 3.24Å; L197-L200 PolarHBondContact O-N 3.17Å; S198-L200 VanDerWaalsContact C-N 3.32Å; S198-L200 PolarHBondContact O-N 3.44Å; L200-N203 PolarHBondContact O-N 2.89Å; L200-F204 HydrophobicContact CD2-CD2 4.01Å; L200-F204 HydrophobicContact CD2-CE2 4.42Å; L200-F204 WeakPolarHBondContact O-CA 3.32Å; L200-F204 WeakPolarHBondContact O-CB 3.46Å; L200-F204 PolarHBondContact O-N 3.03Å; L200-F207 HydrophobicContact CD2-CD2 4.22Å; L200-F207 HydrophobicContact CD2-CE2 4.18Å; L200-A224 HydrophobicContact CD1-CB 4.47Å; L200-L227 HydrophobicContact CD1-CD2 3.83Å; L200-L227 HydrophobicContact CD2-CD2 3.7Å; L200-L227 HydrophobicContact CG-CD2 4.45Å; L200-I228 HydrophobicContact CD1-CD1 4.18Å; L200-I228 HydrophobicContact CD1-CG1 4.09Å
201L98.3Very high97.3Very high0 Ų029.8 Ų29.80%015%0.145CC..Hα-helixtrans-68.9-36.5-178.9-63.1178.5000112.3Y9 L10 L197 S198 R208 L221Y9-L201 HydrophobicContact CD1-CB 3.5Å; Y9-L201 HydrophobicContact CD1-CD1 3.61Å; Y9-L201 HydrophobicContact CD1-CG 4.19Å; Y9-L201 HydrophobicContact CD2-CB 3.94Å; Y9-L201 HydrophobicContact CE1-CB 3.81Å; Y9-L201 HydrophobicContact CE1-CD1 4.28Å; Y9-L201 HydrophobicContact CE2-CB 4.19Å; Y9-L201 HydrophobicContact CG-CB 3.58Å; Y9-L201 HydrophobicContact CG-CD1 4.18Å; L10-L201 HydrophobicContact CD2-CD1 3.65Å; L10-L201 HydrophobicContact CG-CD1 4.02Å; L197-L201 HydrophobicContact CD1-CD1 4.32Å; L197-L201 HydrophobicContact CD1-CD2 4.5Å; L197-L201 HydrophobicContact CD1-CG 4.2Å; L197-L201 HydrophobicContact CG-CD1 4.11Å; L197-L201 HydrophobicContact CG-CG 4.38Å; L197-L201 VanDerWaalsContact O-CG 3.31Å; L197-L201 WeakPolarHBondContact O-CG 3.26Å; L197-L201 PolarHBondContact O-N 2.79Å; S198-L201 PolarHBondContact O-N 3.14Å; L201-R208 HydrophobicContact CD2-CG 4.24Å; L201-R208 VanDerWaalsContact O-CZ 3.27Å; L201-R208 PolarHBondContact O-NE 3.45Å; L201-R208 PolarHBondContact O-NH2 3.43Å; L201-L221 HydrophobicContact CD1-CD1 4.15Å; L201-L221 HydrophobicContact CD2-CD2 3.87Å
202E98.2Very high97.3Very high100 Ų10034.3 Ų34.347%0.46717%0.169SC..Hα-helixtrans-65.7-44.2176.4-173.9-168.5-169.200111.6Y9 S198 R208Y9-E202 HydrophobicContact CD2-CB 4.07Å; Y9-E202 HydrophobicContact CE2-CB 4.39Å; S198-E202 WeakPolarHBondContact O-CB 3.39Å; S198-E202 PolarHBondContact O-N 3.26Å; E202-R208 PolarHBondContact O-NH2 2.79Å
203N98.4Very high97.4Very high10 Ų1032.5 Ų32.55%0.05316%0.159CC..Hα-helixtrans-104.4-22.1-164.8-66.8-81.4000115T173 K177 F178 I199 L200T173-N203 HydrophobicContact CG2-CB 4.09Å; K177-N203 VanDerWaalsContact CD-OD1 3.22Å; K177-N203 WeakPolarHBondContact CD-OD1 3.42Å; K177-N203 PolarHBondContact NZ-OD1 2.94Å; F178-N203 HydrophobicContact CE2-CB 3.98Å; F178-N203 HydrophobicContact CZ-CB 4.15Å; I199-N203 WeakPolarHBondContact O-CB 3.43Å; I199-N203 PolarHBondContact O-N 2.89Å; I199-N203 PolarHBondContact O-ND2 3.01Å; L200-N203 PolarHBondContact O-N 2.89Å
204F98Very high97.4Very high5 Ų537.2 Ų37.22%0.02218%0.181CC..  trans-127.190.8-173.2-57.2-84.3000110.6F82 A170 T173 L174 F178 L200 R206 F207F82-F204 HydrophobicContact CE1-CE1 4.26Å; F82-F204 HydrophobicContact CE2-CD1 4.35Å; F82-F204 HydrophobicContact CE2-CE1 4.27Å; F82-F204 HydrophobicContact CE2-CZ 4.36Å; F82-F204 AromaticContact CZ-CD1 3.7Å; F82-F204 HydrophobicContact CZ-CD1 3.7Å; F82-F204 AromaticContact CZ-CE1 3.47Å; F82-F204 HydrophobicContact CZ-CE1 3.47Å; F82-F204 VanDerWaalsContact CZ-CE1 3.47Å; F82-F204 HydrophobicContact CZ-CE2 4.48Å; F82-F204 HydrophobicContact CZ-CG 4.3Å; F82-F204 AromaticContact CZ-CZ 3.89Å; F82-F204 HydrophobicContact CZ-CZ 3.89Å; A170-F204 HydrophobicContact CB-CD1 4.39Å; T173-F204 HydrophobicContact CG2-CD1 3.95Å; T173-F204 HydrophobicContact CG2-CE1 3.42Å; T173-F204 VanDerWaalsContact CG2-CE1 3.42Å; T173-F204 HydrophobicContact CG2-CE2 4.35Å; T173-F204 HydrophobicContact CG2-CZ 3.66Å; L174-F204 HydrophobicContact CD2-CE1 4.37Å; L174-F204 HydrophobicContact CD2-CZ 3.8Å; L174-F204 HydrophobicContact CG-CE1 4.27Å; L174-F204 HydrophobicContact CG-CZ 4.21Å; F178-F204 HydrophobicContact CD2-CZ 4.17Å; F178-F204 HydrophobicContact CE2-CE2 4.03Å; F178-F204 HydrophobicContact CE2-CZ 4.01Å; L200-F204 HydrophobicContact CD2-CD2 4.01Å; L200-F204 HydrophobicContact CD2-CE2 4.42Å; L200-F204 WeakPolarHBondContact O-CA 3.32Å; L200-F204 WeakPolarHBondContact O-CB 3.46Å; L200-F204 PolarHBondContact O-N 3.03Å; F204-R206 PolarHBondContact O-N 3.31Å; F204-F207 HydrophobicContact CB-CD2 3.54Å; F204-F207 HydrophobicContact CB-CE2 4.02Å; F204-F207 HydrophobicContact CG-CD2 4.43Å; F204-F207 PolarHBondContact O-N 2.88Å
205P95.4Very high97.4Very high83 Ų8340.5 Ų40.554%0.53922%0.215SC..G310 helixtrans-52.6-28.5-175.6-29.235.5000114.5F207 R208P205-F207 PolarHBondContact O-N 3.42Å; P205-F207 VanDerWaalsContact O-N 3.14Å; P205-R208 VanDerWaalsContact O-CB 3.26Å; P205-R208 WeakPolarHBondContact O-CB 3.22Å; P205-R208 PolarHBondContact O-N 3.37Å
206R94.4Very high97.4Very high81 Ų8143.6 Ų43.631%0.30622%0.224SC..G310 helixtrans-61.1-22.2178.9-174.258.7-172.3129.8-14.7114.2F89 I166 F204 R223F89-R206 VanDerWaalsContact CD1-NH2 3.27Å; I166-R206 HydrophobicContact CD1-CG 4.27Å; I166-R206 HydrophobicContact CG1-CG 4.44Å; I166-R206 HydrophobicContact CG2-CB 4.38Å; I166-R206 HydrophobicContact CG2-CG 3.93Å; F204-R206 PolarHBondContact O-N 3.31Å; R206-R223 VanDerWaalsContact CZ-NH1 3.29Å; R206-R223 VanDerWaalsContact CZ-NH2 3.29Å; R206-R223 VanDerWaalsContact NH2-NH2 3.11Å; R206-R223 PolarHBondContact O-NH1 3.17Å
207F96.8Very high97.3Very high1 Ų147.9 Ų47.90%0.00424%0.243CC..G310 helixtrans-88.3-8.8177.7-69.3-81.4000113.5F82 T85 L200 F204 P205 D209 R223 A224 L227F82-F207 HydrophobicContact CD2-CZ 4.42Å; F82-F207 AromaticContact CE2-CE2 3.8Å; F82-F207 HydrophobicContact CE2-CE2 3.8Å; F82-F207 HydrophobicContact CE2-CZ 4.07Å; F82-F207 HydrophobicContact CZ-CE2 4.45Å; T85-F207 HydrophobicContact CG2-CE1 4.25Å; L200-F207 HydrophobicContact CD2-CD2 4.22Å; L200-F207 HydrophobicContact CD2-CE2 4.18Å; F204-F207 HydrophobicContact CB-CD2 3.54Å; F204-F207 HydrophobicContact CB-CE2 4.02Å; F204-F207 HydrophobicContact CG-CD2 4.43Å; F204-F207 PolarHBondContact O-N 2.88Å; P205-F207 PolarHBondContact O-N 3.42Å; P205-F207 VanDerWaalsContact O-N 3.14Å; F207-D209 PolarHBondContact O-N 3.46Å; F207-R223 HydrophobicContact CD1-CB 4.26Å; F207-R223 HydrophobicContact CD1-CG 3.95Å; F207-R223 HydrophobicContact CE1-CB 4.49Å; F207-R223 HydrophobicContact CE1-CG 3.74Å; F207-A224 HydrophobicContact CB-CB 4.15Å; F207-A224 HydrophobicContact CD1-CB 3.84Å; F207-A224 HydrophobicContact CG-CB 4.4Å; F207-L227 HydrophobicContact CE1-CB 4.11Å; F207-L227 HydrophobicContact CE1-CD2 3.62Å; F207-L227 HydrophobicContact CE2-CD2 4.33Å; F207-L227 HydrophobicContact CZ-CD2 3.49Å; F207-L227 VanDerWaalsContact CZ-CD2 3.49Å
208R96.6Very high97.3Very high86 Ų8647.9 Ų47.933%0.32524%0.243SC..  trans-72.8115.1174.3-61.5176.9-172.2163.22.5109L201 E202 P205 F210L201-R208 HydrophobicContact CD2-CG 4.24Å; L201-R208 VanDerWaalsContact O-CZ 3.27Å; L201-R208 PolarHBondContact O-NE 3.45Å; L201-R208 PolarHBondContact O-NH2 3.43Å; E202-R208 PolarHBondContact O-NH2 2.79Å; P205-R208 VanDerWaalsContact O-CB 3.26Å; P205-R208 WeakPolarHBondContact O-CB 3.22Å; P205-R208 PolarHBondContact O-N 3.37Å; R208-F210 HydrophobicContact CB-CD1 4.09Å; R208-F210 HydrophobicContact CB-CE1 3.46Å; R208-F210 VanDerWaalsContact CB-CE1 3.46Å; R208-F210 HydrophobicContact CB-CZ 3.84Å; R208-F210 HydrophobicContact CG-CE1 3.69Å; R208-F210 HydrophobicContact CG-CZ 4.1Å
209D96Very high97.3Very high18 Ų1847.1 Ų47.110%0.09624%0.238CC..  trans-138.277178.7-179.621.6000108.1F207 S219 F220 L221 Y287 R296F207-D209 PolarHBondContact O-N 3.46Å; D209-S219 WeakPolarHBondContact O-CA 3.34Å; D209-F220 PolarHBondContact O-N 2.99Å; D209-L221 HydrophobicContact CB-CD2 4.17Å; D209-L221 PolarHBondContact OD2-N 2.88Å; D209-Y287 WeakPolarHBondContact CA-OH 3.43Å; D209-Y287 PolarHBondContact OD1-OH 3.48Å; D209-R296 IonicContact OD1-CZ 3.16Å; D209-R296 IonicContact OD1-NH1 2.84Å; D209-R296 PolarHBondContact OD1-NH1 3.39Å; D209-R296 IonicContact OD1-NH2 3.6Å; D209-R296 PolarHBondContact OD1-NH2 2.82Å; D209-R296 IonicContact OD2-CZ 3.43Å; D209-R296 IonicContact OD2-NH2 2.76Å; D209-R296 PolarHBondContact OD2-NH2 3.13Å
210F95.9Very high97.1Very high61 Ų6146.7 Ų46.727%0.26824%0.235SC..EExtended strand (participates in β ladder)trans-138.1151.2179.850.1-112.1000110.2Y9 I15 R208 V218 Y287Y9-F210 HydrophobicContact CE1-CE1 4.26Å; I15-F210 HydrophobicContact CD1-CD1 3.84Å; I15-F210 HydrophobicContact CD1-CE1 4Å; I15-F210 HydrophobicContact CD1-CG 4.15Å; I15-F210 HydrophobicContact CD1-CZ 4.48Å; I15-F210 HydrophobicContact CG2-CB 4.1Å; R208-F210 HydrophobicContact CB-CD1 4.09Å; R208-F210 HydrophobicContact CB-CE1 3.46Å; R208-F210 VanDerWaalsContact CB-CE1 3.46Å; R208-F210 HydrophobicContact CB-CZ 3.84Å; R208-F210 HydrophobicContact CG-CE1 3.69Å; R208-F210 HydrophobicContact CG-CZ 4.1Å; F210-V218 CarbonylContact C-O 3.59Å; F210-V218 WeakPolarHBondContact CA-O 3.48Å; F210-V218 VanDerWaalsContact CB-O 3.24Å; F210-V218 WeakPolarHBondContact CB-O 3.37Å; F210-Y287 PolarHBondContact N-OH 2.93Å; F210-Y287 PolarHBondContact O-OH 3.44Å; F210-Y287 VanDerWaalsContact O-OH 3.04Å
211T97.4Very high97Very high27 Ų2746.8 Ų46.817%0.16624%0.236CC..EExtended strand (participates in β ladder)trans-150.3176.8179.7-172.10000109.8K217 V218 G288 V293T211-K217 CarbonylContact O-C 3.56Å; T211-K217 WeakPolarHBondContact O-CA 3.5Å; T211-V218 HydrophobicContact CG2-CG2 3.75Å; T211-V218 PolarHBondContact N-O 2.83Å; T211-V218 PolarHBondContact O-N 3.37Å; T211-G288 VanDerWaalsContact OG1-CA 3.22Å; T211-G288 WeakPolarHBondContact OG1-CA 3.49Å; T211-G288 PolarHBondContact OG1-O 3.15Å; T211-V293 HydrophobicContact CG2-CG2 3.49Å; T211-V293 VanDerWaalsContact CG2-CG2 3.49Å
212I97.9Very high96.7Very high113 Ų11348.4 Ų48.458%0.57924%0.244SC*.EExtended strand (participates in β ladder)trans-99.2128.5173.7-59.6173.8000108.8R216 K217I212-R216 CarbonylContact C-O 3.58Å; I212-R216 WeakPolarHBondContact CA-O 3.36Å; I212-K217 HydrophobicContact CG1-CG 4.34Å
213Y98.1Very high96.5Very high4 Ų445.6 Ų45.62%0.01623%0.229CC..EExtended strand (participates in β ladder)trans-134.8126.7173.4-178-96.1000109.1F24 I25 H28 G215 R216 P290 V293 E294F24-Y213 HydrophobicContact CD1-CD1 4.45Å; F24-Y213 HydrophobicContact CE1-CD1 4.02Å; I25-Y213 HydrophobicContact CB-CD1 4.46Å; I25-Y213 HydrophobicContact CB-CE1 4.32Å; I25-Y213 HydrophobicContact CG1-CD1 3.72Å; I25-Y213 HydrophobicContact CG1-CE1 4.07Å; I25-Y213 HydrophobicContact CG1-CG 4.24Å; I25-Y213 HydrophobicContact CG2-CD1 4.45Å; I25-Y213 HydrophobicContact CG2-CE1 4.03Å; H28-Y213 HydrophobicContact CB-CE1 4.11Å; H28-Y213 PolarHBondContact O-OH 2.67Å; Y213-G215 PolarHBondContact O-N 3.31Å; Y213-G215 VanDerWaalsContact O-N 3.12Å; Y213-R216 PolarHBondContact N-O 3.2Å; Y213-R216 PolarHBondContact O-N 3.1Å; Y213-P290 HydrophobicContact CE2-CB 4.19Å; Y213-V293 HydrophobicContact CD2-CB 4.01Å; Y213-V293 HydrophobicContact CD2-CG1 3.7Å; Y213-V293 HydrophobicContact CE2-CG1 4.42Å; Y213-V293 HydrophobicContact CG-CG1 3.91Å; Y213-E294 HydrophobicContact CE2-CG 3.81Å; Y213-E294 WeakPolarHBondContact OH-CG 3.4Å; Y213-E294 PolarHBondContact OH-OE1 3.13Å
214E97Very high96.4Very high100 Ų10045.1 Ų45.147%0.46723%0.227SC..THydrogen-bonded Turntrans46.344.5-177.3-63.9-73.1155.100112.5F24 K30 R216F24-E214 HydrophobicContact CE1-CB 4.41Å; F24-E214 HydrophobicContact CZ-CB 4.19Å; K30-E214 IonicContact NZ-OE1 2.85Å; K30-E214 PolarHBondContact NZ-OE1 3.08Å; K30-E214 IonicContact NZ-OE2 2.69Å; E214-R216 VanDerWaalsContact C-N 3.3Å; E214-R216 PolarHBondContact O-N 3.3Å
215G97.1Very high96.2Very high73 Ų7345 Ų4575%0.75323%0.226SC*.THydrogen-bonded Turntrans78.4-0.5178.300000116.1Y213Y213-G215 PolarHBondContact O-N 3.31Å; Y213-G215 VanDerWaalsContact O-N 3.12Å
216R97.7Very high96Very high126 Ų12644.5 Ų44.548%0.47522%0.219SC..EExtended strand (participates in β ladder)trans-114.1143.1-177.3-63.8-119.7-87.8-109.90.6111.9M16 F24 I212 Y213 E214 V218M16-R216 HydrophobicContact SD-CB 4.33Å; F24-R216 HydrophobicContact CE1-CB 3.88Å; F24-R216 HydrophobicContact CE1-CG 4.14Å; F24-R216 VanDerWaalsContact CE2-NH2 3.26Å; F24-R216 HydrophobicContact CZ-CB 4.16Å; F24-R216 HydrophobicContact CZ-CG 3.88Å; I212-R216 CarbonylContact C-O 3.58Å; I212-R216 WeakPolarHBondContact CA-O 3.36Å; Y213-R216 PolarHBondContact N-O 3.2Å; Y213-R216 PolarHBondContact O-N 3.1Å; E214-R216 VanDerWaalsContact C-N 3.3Å; E214-R216 PolarHBondContact O-N 3.3Å; R216-V218 PolarHBondContact O-N 2.93Å
217K98Very high96Very high89 Ų8940.7 Ų40.739%0.38720%0.204SC..EExtended strand (participates in β ladder)trans-78.5110.2173.1-67.9-177.7-166.4164.10109.7N13 I15 M16 T211 I212N13-K217 PolarHBondContact O-NZ 3.16Å; I15-K217 HydrophobicContact CB-CB 4.48Å; I15-K217 HydrophobicContact CG1-CB 4.23Å; I15-K217 HydrophobicContact CG1-CD 3.91Å; I15-K217 HydrophobicContact CG2-CB 4.45Å; M16-K217 WeakPolarHBondContact CB-O 3.3Å; M16-K217 PolarHBondContact N-O 3.1Å; T211-K217 CarbonylContact O-C 3.56Å; T211-K217 WeakPolarHBondContact O-CA 3.5Å; I212-K217 HydrophobicContact CG1-CG 4.34Å
218V97.9Very high96Very high0 Ų040.6 Ų40.60%020%0.204CC..EExtended strand (participates in β ladder)trans-104.9152.6178.8-64.50000110.2M16 S21 F24 I25 F210 T211 R216 V293M16-V218 HydrophobicContact SD-CG1 4.43Å; S21-V218 WeakPolarHBondContact OG-CA 3.28Å; F24-V218 HydrophobicContact CD1-CG1 3.97Å; F24-V218 HydrophobicContact CE1-CG1 4.41Å; I25-V218 HydrophobicContact CD1-CB 4.11Å; I25-V218 HydrophobicContact CD1-CG1 4.14Å; I25-V218 HydrophobicContact CD1-CG2 4.09Å; I25-V218 HydrophobicContact CG1-CG1 4.23Å; F210-V218 CarbonylContact C-O 3.59Å; F210-V218 WeakPolarHBondContact CA-O 3.48Å; F210-V218 VanDerWaalsContact CB-O 3.24Å; F210-V218 WeakPolarHBondContact CB-O 3.37Å; T211-V218 HydrophobicContact CG2-CG2 3.75Å; T211-V218 PolarHBondContact N-O 2.83Å; T211-V218 PolarHBondContact O-N 3.37Å; R216-V218 PolarHBondContact O-N 2.93Å; V218-V293 HydrophobicContact CG2-CG1 4.26Å
219S96.9Very high95.8Very high0 Ų038 Ų380%020%0.195CC..EExtended strand (participates in β ladder)trans-135.6153.7178.976.80000112.6M16 P18 S21 D209M16-S219 WeakPolarHBondContact O-CB 3.5Å; M16-S219 PolarHBondContact O-OG 3.26Å; P18-S219 WeakPolarHBondContact CA-O 3.37Å; S21-S219 WeakPolarHBondContact CB-O 3.33Å; S21-S219 PolarHBondContact OG-N 3.43Å; S21-S219 PolarHBondContact OG-O 3.37Å; D209-S219 WeakPolarHBondContact O-CA 3.34Å
220F95.5Very high95.5Very high4 Ų437.1 Ų37.12%0.01819%0.191CC..  trans-122.8-38.9173-63-76.6000111.6V22 I25 D209 L222 Q225 V293 R296 A297V22-F220 HydrophobicContact CG2-CD1 4.31Å; V22-F220 HydrophobicContact CG2-CE1 4.15Å; I25-F220 HydrophobicContact CD1-CE1 4.34Å; I25-F220 HydrophobicContact CD1-CZ 3.84Å; D209-F220 PolarHBondContact O-N 2.99Å; F220-L222 PolarHBondContact O-N 3.43Å; F220-Q225 PolarHBondContact O-NE2 3.14Å; F220-V293 HydrophobicContact CE2-CG1 4.32Å; F220-V293 HydrophobicContact CZ-CG1 4.21Å; F220-R296 VanDerWaalsContact CD2-CZ 3.43Å; F220-R296 HydrophobicContact CE1-CB 4.15Å; F220-R296 HydrophobicContact CE2-CB 4.18Å; F220-R296 HydrophobicContact CZ-CB 3.85Å; F220-A297 HydrophobicContact CE1-CB 3.8Å; F220-A297 HydrophobicContact CZ-CB 3.95Å
221L95.5Very high95.5Very high1 Ų134.2 Ų34.21%0.00518%0.178CC..  trans54.524.9171.4-49.7-179.2000114.9L10 P18 L197 L201 D209 R223 A224 Q225L10-L221 HydrophobicContact CD1-CD1 4.1Å; L10-L221 HydrophobicContact CD2-CD1 4.18Å; P18-L221 HydrophobicContact CG-CB 4.25Å; P18-L221 HydrophobicContact CG-CD1 3.95Å; P18-L221 HydrophobicContact CG-CG 4.17Å; L197-L221 HydrophobicContact CD1-CD1 4.19Å; L197-L221 HydrophobicContact CD2-CD1 3.96Å; L197-L221 HydrophobicContact CG-CD1 4.48Å; L201-L221 HydrophobicContact CD1-CD1 4.15Å; L201-L221 HydrophobicContact CD2-CD2 3.87Å; D209-L221 HydrophobicContact CB-CD2 4.17Å; D209-L221 PolarHBondContact OD2-N 2.88Å; L221-R223 VanDerWaalsContact C-N 3.28Å; L221-R223 PolarHBondContact O-N 3.39Å; L221-R223 VanDerWaalsContact O-N 3.13Å; L221-A224 HydrophobicContact CB-CB 4.31Å; L221-A224 WeakPolarHBondContact O-CA 3.39Å; L221-A224 WeakPolarHBondContact O-CB 3.01Å; L221-A224 PolarHBondContact O-N 3.43Å; L221-Q225 WeakPolarHBondContact O-CG 3.18Å; L221-Q225 PolarHBondContact O-N 3.25Å
222L93Very high95.3Very high34 Ų3433.8 Ų33.818%0.17818%0.177CC..Hα-helixtrans-51.8-44.5-171.9174.766.3000112.7F220 A224 Q225 L226 I253 S255F220-L222 PolarHBondContact O-N 3.43Å; L222-A224 VanDerWaalsContact C-N 3.33Å; L222-A224 PolarHBondContact O-N 3.31Å; L222-Q225 PolarHBondContact O-N 3.4Å; L222-L226 HydrophobicContact CD1-CD1 4.12Å; L222-L226 HydrophobicContact CD1-CG 4.15Å; L222-L226 HydrophobicContact CG-CD1 4.01Å; L222-L226 HydrophobicContact CG-CG 4.44Å; L222-L226 WeakPolarHBondContact O-CB 3.4Å; L222-L226 VanDerWaalsContact O-CG 3.28Å; L222-L226 WeakPolarHBondContact O-CG 3.19Å; L222-L226 PolarHBondContact O-N 3.14Å; L222-I253 HydrophobicContact CB-CG2 4.37Å; L222-I253 HydrophobicContact CD1-CG2 4.24Å; L222-I253 WeakPolarHBondContact CD1-O 3.48Å; L222-S255 WeakPolarHBondContact CD2-O 3.5Å
223R93Very high94.9Very high42 Ų4229.9 Ų29.916%0.15816%0.157CC..Hα-helixtrans-64.4-38.1179.4-171.2-175.8-61.393.219.1112.2T85 R206 F207 L221 L227T85-R223 HydrophobicContact CG2-CG 3.85Å; T85-R223 WeakPolarHBondContact O-CD 3.29Å; R206-R223 VanDerWaalsContact CZ-NH1 3.29Å; R206-R223 VanDerWaalsContact CZ-NH2 3.29Å; R206-R223 VanDerWaalsContact NH2-NH2 3.11Å; R206-R223 PolarHBondContact O-NH1 3.17Å; F207-R223 HydrophobicContact CD1-CB 4.26Å; F207-R223 HydrophobicContact CD1-CG 3.95Å; F207-R223 HydrophobicContact CE1-CB 4.49Å; F207-R223 HydrophobicContact CE1-CG 3.74Å; L221-R223 VanDerWaalsContact C-N 3.28Å; L221-R223 PolarHBondContact O-N 3.39Å; L221-R223 VanDerWaalsContact O-N 3.13Å; R223-L227 PolarHBondContact O-N 3.03Å
224A95.7Very high94.5Very high0 Ų029.8 Ų29.80%016%0.157CC..Hα-helixtrans-69.9-41.9178.500000110.5L197 L200 F207 L221 L222 L227 I228L197-A224 HydrophobicContact CD1-CB 3.53Å; L200-A224 HydrophobicContact CD1-CB 4.47Å; F207-A224 HydrophobicContact CB-CB 4.15Å; F207-A224 HydrophobicContact CD1-CB 3.84Å; F207-A224 HydrophobicContact CG-CB 4.4Å; L221-A224 HydrophobicContact CB-CB 4.31Å; L221-A224 WeakPolarHBondContact O-CA 3.39Å; L221-A224 WeakPolarHBondContact O-CB 3.01Å; L221-A224 PolarHBondContact O-N 3.43Å; L222-A224 VanDerWaalsContact C-N 3.33Å; L222-A224 PolarHBondContact O-N 3.31Å; A224-L227 WeakPolarHBondContact O-CB 3.38Å; A224-L227 PolarHBondContact O-N 3.3Å; A224-I228 VanDerWaalsContact O-CG1 3.29Å; A224-I228 WeakPolarHBondContact O-CG1 3.44Å; A224-I228 PolarHBondContact O-N 3.18Å
225Q94.4Very high94.3Very high1 Ų125.4 Ų25.41%0.00514%0.136CC..Hα-helixtrans-60.8-49.8175.1-62.8-171.542.700111P18 F220 L221 L222 L227 I228 H229 L251 I253P18-Q225 VanDerWaalsContact CG-NE2 3.34Å; F220-Q225 PolarHBondContact O-NE2 3.14Å; L221-Q225 WeakPolarHBondContact O-CG 3.18Å; L221-Q225 PolarHBondContact O-N 3.25Å; L222-Q225 PolarHBondContact O-N 3.4Å; Q225-L227 VanDerWaalsContact C-N 3.27Å; Q225-L227 PolarHBondContact O-N 3.09Å; Q225-I228 PolarHBondContact O-N 3.27Å; Q225-I228 VanDerWaalsContact O-N 3.1Å; Q225-H229 PolarHBondContact O-CD2 2.94Å; Q225-H229 PolarHBondContact O-N 3.37Å; Q225-L251 HydrophobicContact CG-CB 4.24Å; Q225-L251 HydrophobicContact CG-CD2 4.03Å; Q225-L251 PolarHBondContact OE1-O 3.18Å; Q225-L251 VanDerWaalsContact OE1-O 3.07Å; Q225-I253 VanDerWaalsContact NE2-CG1 3.27Å
226L91.5Very high94Very high74 Ų7429.8 Ų29.839%0.38714%0.135SC..Hα-helixtrans-57.2-40176.6-73.6173000112.6N62 Y81 L222 G230N62-L226 PolarHBondContact ND2-O 2.87Å; Y81-L226 PolarHBondContact OH-O 2.83Å; Y81-L226 VanDerWaalsContact OH-O 3.13Å; L222-L226 HydrophobicContact CD1-CD1 4.12Å; L222-L226 HydrophobicContact CD1-CG 4.15Å; L222-L226 HydrophobicContact CG-CD1 4.01Å; L222-L226 HydrophobicContact CG-CG 4.44Å; L222-L226 WeakPolarHBondContact O-CB 3.4Å; L222-L226 VanDerWaalsContact O-CG 3.28Å; L222-L226 WeakPolarHBondContact O-CG 3.19Å; L222-L226 PolarHBondContact O-N 3.14Å; L226-G230 PolarHBondContact O-N 3.44Å
227L94.8Very high93.4Very high0 Ų028 Ų280%013%0.132CC..Hα-helixtrans-59.4-52.9174.4175.655.7000110.9Y81 F82 T85 F182 L200 F207 R223 A224 Q225 H229 G230 V231Y81-L227 HydrophobicContact CD1-CD1 3.67Å; Y81-L227 HydrophobicContact CE1-CD1 3.75Å; F82-L227 HydrophobicContact CB-CD1 4.39Å; F82-L227 HydrophobicContact CD2-CD1 4.45Å; F82-L227 HydrophobicContact CD2-CD2 3.77Å; F82-L227 HydrophobicContact CE2-CD2 4.27Å; T85-L227 HydrophobicContact CG2-CB 3.81Å; F182-L227 HydrophobicContact CE1-CD1 3.96Å; F182-L227 HydrophobicContact CE1-CD2 4.32Å; F182-L227 HydrophobicContact CE1-CG 4.3Å; F182-L227 HydrophobicContact CE2-CD2 4.2Å; F182-L227 HydrophobicContact CZ-CD1 4.17Å; F182-L227 HydrophobicContact CZ-CD2 3.69Å; F182-L227 HydrophobicContact CZ-CG 4.05Å; L200-L227 HydrophobicContact CD1-CD2 3.83Å; L200-L227 HydrophobicContact CD2-CD2 3.7Å; L200-L227 HydrophobicContact CG-CD2 4.45Å; F207-L227 HydrophobicContact CE1-CB 4.11Å; F207-L227 HydrophobicContact CE1-CD2 3.62Å; F207-L227 HydrophobicContact CE2-CD2 4.33Å; F207-L227 HydrophobicContact CZ-CD2 3.49Å; F207-L227 VanDerWaalsContact CZ-CD2 3.49Å; R223-L227 PolarHBondContact O-N 3.03Å; A224-L227 WeakPolarHBondContact O-CB 3.38Å; A224-L227 PolarHBondContact O-N 3.3Å; Q225-L227 VanDerWaalsContact C-N 3.27Å; Q225-L227 PolarHBondContact O-N 3.09Å; L227-H229 PolarHBondContact O-N 3.3Å; L227-G230 PolarHBondContact O-N 3.38Å; L227-G230 VanDerWaalsContact O-N 3.12Å; L227-V231 HydrophobicContact CD1-CG2 4.37Å; L227-V231 WeakPolarHBondContact O-CG2 3.12Å; L227-V231 PolarHBondContact O-N 2.68Å
228I95.6Very high93Very high0 Ų027 Ų270%013%0.131CC..Hα-helixtrans-62.4-42.4-176.8-69.8165.4000111.5L196 L197 L200 A224 Q225 G230 V231 A232 F244 L246 L251L196-I228 HydrophobicContact CD2-CG1 4.08Å; L196-I228 HydrophobicContact CG-CG1 4.31Å; L197-I228 HydrophobicContact CB-CD1 3.83Å; L197-I228 HydrophobicContact CD1-CD1 4.08Å; L200-I228 HydrophobicContact CD1-CD1 4.18Å; L200-I228 HydrophobicContact CD1-CG1 4.09Å; A224-I228 VanDerWaalsContact O-CG1 3.29Å; A224-I228 WeakPolarHBondContact O-CG1 3.44Å; A224-I228 PolarHBondContact O-N 3.18Å; Q225-I228 PolarHBondContact O-N 3.27Å; Q225-I228 VanDerWaalsContact O-N 3.1Å; I228-G230 VanDerWaalsContact C-N 3.3Å; I228-G230 PolarHBondContact O-N 2.95Å; I228-V231 WeakPolarHBondContact O-CB 3.46Å; I228-V231 PolarHBondContact O-N 2.89Å; I228-A232 PolarHBondContact O-N 3.27Å; I228-F244 HydrophobicContact CG2-CE1 3.98Å; I228-F244 HydrophobicContact CG2-CZ 4.05Å; I228-L246 HydrophobicContact CG2-CD1 3.71Å; I228-L251 HydrophobicContact CB-CD1 4.3Å; I228-L251 HydrophobicContact CD1-CD1 4.04Å; I228-L251 HydrophobicContact CG2-CD1 3.65Å
229H92.5Very high92.5Very high31 Ų3133.9 Ų33.914%0.14417%0.168CC..Hα-helixtrans-59.4-41.7173-83.9-75.1000112.1Q225 L227 V231 A232 L233 H248 L251Q225-H229 PolarHBondContact O-CD2 2.94Å; Q225-H229 PolarHBondContact O-N 3.37Å; L227-H229 PolarHBondContact O-N 3.3Å; H229-V231 VanDerWaalsContact C-N 3.34Å; H229-A232 PolarHBondContact O-N 2.89Å; H229-L233 PolarHBondContact O-N 3.45Å; H229-H248 AromaticContact CE1-ND1 3.92Å; H229-L251 PolarHBondContact NE2-O 3.12Å
230G91.3Very high92.2Very high0 Ų036.1 Ų36.10%018%0.178CC..Hα-helixtrans-67-34.4176.400000113.5N62 L226 L227 I228 L233 L234N62-G230 WeakPolarHBondContact ND2-CA 3.08Å; N62-G230 PolarHBondContact ND2-N 3.13Å; N62-G230 VanDerWaalsContact ND2-N 3.19Å; L226-G230 PolarHBondContact O-N 3.44Å; L227-G230 PolarHBondContact O-N 3.38Å; L227-G230 VanDerWaalsContact O-N 3.12Å; I228-G230 VanDerWaalsContact C-N 3.3Å; I228-G230 PolarHBondContact O-N 2.95Å; G230-L233 PolarHBondContact O-N 2.94Å; G230-L234 WeakPolarHBondContact O-CB 3.46Å; G230-L234 WeakPolarHBondContact O-CG 3.39Å; G230-L234 PolarHBondContact O-N 3.5Å
231V94.3Very high92Very high0 Ų046 Ų460%022%0.221CC..Hα-helixtrans-60.9-52.7170.8172.70000110.1L78 F182 I186 L196 L227 I228 H229 L233 L234 F235 F244L78-V231 HydrophobicContact CD2-CB 4.41Å; L78-V231 HydrophobicContact CD2-CG1 4.17Å; L78-V231 HydrophobicContact CD2-CG2 4.12Å; F182-V231 HydrophobicContact CE1-CG2 3.66Å; F182-V231 HydrophobicContact CZ-CG2 4.42Å; I186-V231 HydrophobicContact CD1-CG1 3.68Å; I186-V231 HydrophobicContact CD1-CG2 4.03Å; I186-V231 HydrophobicContact CG1-CG1 4.17Å; L196-V231 HydrophobicContact CD2-CG2 4.47Å; L227-V231 HydrophobicContact CD1-CG2 4.37Å; L227-V231 WeakPolarHBondContact O-CG2 3.12Å; L227-V231 PolarHBondContact O-N 2.68Å; I228-V231 WeakPolarHBondContact O-CB 3.46Å; I228-V231 PolarHBondContact O-N 2.89Å; H229-V231 VanDerWaalsContact C-N 3.34Å; V231-L233 VanDerWaalsContact C-N 3.25Å; V231-L233 PolarHBondContact O-N 3.29Å; V231-L234 PolarHBondContact O-N 3.49Å; V231-L234 VanDerWaalsContact O-N 3.1Å; V231-F235 HydrophobicContact CG1-CD2 3.71Å; V231-F235 HydrophobicContact CG1-CE2 3.65Å; V231-F235 VanDerWaalsContact O-CD2 3.31Å; V231-F235 WeakPolarHBondContact O-CD2 3.45Å; V231-F235 PolarHBondContact O-N 3.01Å; V231-F244 HydrophobicContact CG1-CD2 4Å; V231-F244 HydrophobicContact CG1-CE1 4.37Å; V231-F244 HydrophobicContact CG1-CE2 3.86Å; V231-F244 HydrophobicContact CG1-CG 4.33Å; V231-F244 HydrophobicContact CG1-CZ 4.05Å
232A93.3Very high91.8Very high18 Ų1849.6 Ų49.615%0.14924%0.239CC..Hα-helixtrans-56-42.318000000112.1I228 H229 F235 K236 F244 L246I228-A232 PolarHBondContact O-N 3.27Å; H229-A232 PolarHBondContact O-N 2.89Å; A232-F235 PolarHBondContact O-N 3.13Å; A232-K236 PolarHBondContact O-N 3.06Å; A232-F244 HydrophobicContact CB-CD1 3.65Å; A232-F244 HydrophobicContact CB-CE1 4.05Å; A232-L246 HydrophobicContact CB-CB 4.13Å; A232-L246 HydrophobicContact CB-CD2 3.5Å; A232-L246 VanDerWaalsContact CB-CD2 3.5Å; A232-L246 HydrophobicContact CB-CG 4.35Å
233L89.3Confident91.8Very high30 Ų3054.1 Ų54.116%0.15726%0.263CS..Hα-helixtrans-63.4-46.3176-176.457.3000112.2T60 N62 H65 H229 G230 V231 F235 K236 E237T60-L233 WeakPolarHBondContact O-CD2 3.24Å; N62-L233 HydrophobicContact CB-CD2 4.07Å; H65-L233 HydrophobicContact CB-CD2 3.57Å; H65-L233 WeakPolarHBondContact CD2-CD2 3.5Å; H229-L233 PolarHBondContact O-N 3.45Å; G230-L233 PolarHBondContact O-N 2.94Å; V231-L233 VanDerWaalsContact C-N 3.25Å; V231-L233 PolarHBondContact O-N 3.29Å; L233-F235 VanDerWaalsContact C-N 3.31Å; L233-F235 PolarHBondContact O-N 3.29Å; L233-K236 WeakPolarHBondContact O-CB 3.39Å; L233-K236 PolarHBondContact O-N 3.45Å; L233-K236 VanDerWaalsContact O-N 3.16Å; L233-E237 HydrophobicContact CD1-CG 4.17Å; L233-E237 WeakPolarHBondContact O-CG 3.22Å; L233-E237 PolarHBondContact O-N 3.34Å
234L90.9Very high91.9Very high2 Ų253.2 Ų53.21%0.0126%0.261CS..Hα-helixtrans-60.4-38.8176.7-79.5167.6000112.4H65 F74 L78 Y81 G230 V231 N238H65-L234 WeakPolarHBondContact NE2-CD2 3.43Å; H65-L234 VanDerWaalsContact NE2-CG 3.3Å; H65-L234 WeakPolarHBondContact NE2-CG 3.4Å; F74-L234 HydrophobicContact CE2-CB 4.39Å; L78-L234 HydrophobicContact CD2-CB 4.07Å; L78-L234 HydrophobicContact CD2-CD1 3.7Å; L78-L234 HydrophobicContact CG-CD1 4.3Å; Y81-L234 HydrophobicContact CD1-CD1 4.43Å; Y81-L234 HydrophobicContact CD2-CD1 4.3Å; Y81-L234 HydrophobicContact CG-CD1 3.92Å; G230-L234 WeakPolarHBondContact O-CB 3.46Å; G230-L234 WeakPolarHBondContact O-CG 3.39Å; G230-L234 PolarHBondContact O-N 3.5Å; V231-L234 PolarHBondContact O-N 3.49Å; V231-L234 VanDerWaalsContact O-N 3.1Å; L234-N238 WeakPolarHBondContact O-CB 3.29Å; L234-N238 PolarHBondContact O-N 2.95Å; L234-N238 VanDerWaalsContact O-N 3.13Å; L234-N238 PolarHBondContact O-ND2 3.47Å
235F92.9Very high91.9Very high9 Ų958 Ų584%0.03929%0.286CS..Hα-helixtrans-62.1-45.6174.7-91.7-104.2000111.7F74 L78 Y183 I186 F191 V231 A232 L233 N239 H240 I242 F244F74-F235 HydrophobicContact CE1-CE1 4.44Å; F74-F235 HydrophobicContact CE1-CE2 4.36Å; F74-F235 HydrophobicContact CE1-CZ 4.19Å; F74-F235 HydrophobicContact CE2-CD2 4.19Å; F74-F235 HydrophobicContact CE2-CE2 4.47Å; F74-F235 HydrophobicContact CE2-CG 4.44Å; F74-F235 HydrophobicContact CZ-CD1 4.07Å; F74-F235 AromaticContact CZ-CD2 3.64Å; F74-F235 HydrophobicContact CZ-CD2 3.64Å; F74-F235 HydrophobicContact CZ-CE1 4.01Å; F74-F235 AromaticContact CZ-CE2 3.58Å; F74-F235 HydrophobicContact CZ-CE2 3.58Å; F74-F235 AromaticContact CZ-CG 3.89Å; F74-F235 HydrophobicContact CZ-CG 3.89Å; F74-F235 AromaticContact CZ-CZ 3.77Å; F74-F235 HydrophobicContact CZ-CZ 3.77Å; L78-F235 HydrophobicContact CD1-CE2 4.21Å; L78-F235 HydrophobicContact CD2-CE2 4.39Å; Y183-F235 HydrophobicContact CE2-CZ 4.24Å; I186-F235 HydrophobicContact CD1-CE2 4.27Å; I186-F235 HydrophobicContact CG2-CE2 3.96Å; I186-F235 HydrophobicContact CG2-CZ 3.76Å; F191-F235 AromaticContact CD1-CE1 3.66Å; F191-F235 HydrophobicContact CD1-CE1 3.66Å; F191-F235 AromaticContact CD1-CZ 3.7Å; F191-F235 HydrophobicContact CD1-CZ 3.7Å; F191-F235 AromaticContact CE1-CE1 3.94Å; F191-F235 HydrophobicContact CE1-CE1 3.94Å; F191-F235 AromaticContact CE1-CZ 3.91Å; F191-F235 HydrophobicContact CE1-CZ 3.91Å; V231-F235 HydrophobicContact CG1-CD2 3.71Å; V231-F235 HydrophobicContact CG1-CE2 3.65Å; V231-F235 VanDerWaalsContact O-CD2 3.31Å; V231-F235 WeakPolarHBondContact O-CD2 3.45Å; V231-F235 PolarHBondContact O-N 3.01Å; A232-F235 PolarHBondContact O-N 3.13Å; L233-F235 VanDerWaalsContact C-N 3.31Å; L233-F235 PolarHBondContact O-N 3.29Å; F235-N239 PolarHBondContact O-N 3.27Å; F235-H240 HydrophobicContact CD1-CB 3.75Å; F235-H240 AromaticContact CD1-CG 3.8Å; F235-H240 AromaticContact CD1-ND1 3.72Å; F235-H240 HydrophobicContact CE1-CB 4.29Å; F235-H240 AromaticContact CE1-CE1 3.88Å; F235-H240 AromaticContact CE1-CG 3.82Å; F235-H240 AromaticContact CE1-ND1 3.46Å; F235-H240 WeakPolarHBondContact CE1-ND1 3.43Å; F235-H240 HydrophobicContact CG-CB 4.46Å; F235-H240 PolarHBondContact O-N 3.31Å; F235-I242 WeakPolarHBondContact CD1-O 3.13Å; F235-F244 HydrophobicContact CB-CB 4.16Å; F235-F244 HydrophobicContact CD1-CB 4Å; F235-F244 HydrophobicContact CD2-CB 4.25Å; F235-F244 HydrophobicContact CE1-CB 4.47Å; F235-F244 HydrophobicContact CE2-CD2 4.49Å; F235-F244 HydrophobicContact CG-CB 3.87Å
236K89.2Confident91.8Very high164 Ų16458.7 Ų58.771%0.71329%0.29SS*.Hα-helixtrans-61.7-48.9177.6-176.1178.9178.91790111.5A232 L233 N238 N239A232-K236 PolarHBondContact O-N 3.06Å; L233-K236 WeakPolarHBondContact O-CB 3.39Å; L233-K236 PolarHBondContact O-N 3.45Å; L233-K236 VanDerWaalsContact O-N 3.16Å; K236-N238 VanDerWaalsContact C-N 3.3Å; K236-N238 PolarHBondContact O-N 2.87Å; K236-N239 PolarHBondContact O-N 3.31Å
237E86.3Confident91.9Very high89 Ų8956.3 Ų56.342%0.41628%0.277SS..Hα-helixtrans-67.9-27.8-177-71.6-166.4-164.600114H65 L233H65-E237 IonicContact CE1-OE1 3.54Å; H65-E237 PolarHBondContact CE1-OE1 3.43Å; H65-E237 IonicContact CE1-OE2 3.41Å; H65-E237 PolarHBondContact CE1-OE2 2.89Å; H65-E237 IonicContact CG-OE1 2.67Å; H65-E237 IonicContact ND1-OE1 3.32Å; H65-E237 PolarHBondContact ND1-OE1 3.32Å; H65-E237 IonicContact ND1-OE2 2.82Å; H65-E237 PolarHBondContact ND1-OE2 3.23Å; H65-E237 IonicContact NE2-OE1 2.89Å; H65-E237 IonicContact NE2-OE2 2.7Å; L233-E237 HydrophobicContact CD1-CG 4.17Å; L233-E237 WeakPolarHBondContact O-CG 3.22Å; L233-E237 PolarHBondContact O-N 3.34Å
238N88.4Confident91.6Very high69 Ų6961.8 Ų61.837%0.36930%0.303SS..THydrogen-bonded Turntrans-92.25.3179.2-72.7-96.3000113.2F74 L234 K236 H240F74-N238 HydrophobicContact CD2-CB 3.64Å; F74-N238 HydrophobicContact CE2-CB 4.07Å; F74-N238 HydrophobicContact CG-CB 4.34Å; L234-N238 WeakPolarHBondContact O-CB 3.29Å; L234-N238 PolarHBondContact O-N 2.95Å; L234-N238 VanDerWaalsContact O-N 3.13Å; L234-N238 PolarHBondContact O-ND2 3.47Å; K236-N238 VanDerWaalsContact C-N 3.3Å; K236-N238 PolarHBondContact O-N 2.87Å; N238-H240 PolarHBondContact O-N 3.41Å
239N88.5Confident91.3Very high144 Ų14467.7 Ų67.777%0.7733%0.33SS*.THydrogen-bonded Turntrans46.945.2-176.9-64-50.5000112.3F235 K236F235-N239 PolarHBondContact O-N 3.27Å; K236-N239 PolarHBondContact O-N 3.31Å
240H89.8Confident91.2Very high47 Ų4768 Ų6822%0.21833%0.331CS..  trans-64.1139.8-176.3-171.1-90.3000110.6F74 F235 N238 I242F74-H240 AromaticContact CD1-CD2 3.8Å; F74-H240 AromaticContact CE1-CD2 3.29Å; F74-H240 WeakPolarHBondContact CE1-CD2 3.48Å; F74-H240 AromaticContact CE1-NE2 3.81Å; F74-H240 HydrophobicContact CZ-CB 4.33Å; F74-H240 AromaticContact CZ-CD2 3.88Å; F235-H240 HydrophobicContact CD1-CB 3.75Å; F235-H240 AromaticContact CD1-CG 3.8Å; F235-H240 AromaticContact CD1-ND1 3.72Å; F235-H240 HydrophobicContact CE1-CB 4.29Å; F235-H240 AromaticContact CE1-CE1 3.88Å; F235-H240 AromaticContact CE1-CG 3.82Å; F235-H240 AromaticContact CE1-ND1 3.46Å; F235-H240 WeakPolarHBondContact CE1-ND1 3.43Å; F235-H240 HydrophobicContact CG-CB 4.46Å; F235-H240 PolarHBondContact O-N 3.31Å; N238-H240 PolarHBondContact O-N 3.41Å; H240-I242 PolarHBondContact ND1-N 3.26Å; H240-I242 VanDerWaalsContact ND1-N 3.18Å; H240-I242 PolarHBondContact ND1-O 2.77Å; H240-I242 VanDerWaalsContact ND1-O 3.13Å; H240-I242 PolarHBondContact O-N 2.99Å
241K91.2Very high91.2Very high210 Ų21068 Ų6891%0.91333%0.331SS*.SBendtrans-63.8-25.2-174-65.1-175179.2-177.20114.4
242I92.4Very high91Very high77 Ų7772.3 Ų72.340%0.39535%0.348SS..SBendtrans-104.4128.3178.3-54.9173.1000107.8F191 F235 H240F191-I242 HydrophobicContact CB-CG2 4.28Å; F191-I242 HydrophobicContact CD1-CG2 4.13Å; F191-I242 HydrophobicContact CD2-CD1 4.48Å; F191-I242 HydrophobicContact CD2-CG2 3.65Å; F191-I242 HydrophobicContact CE1-CD1 4.37Å; F191-I242 HydrophobicContact CE1-CG2 4.42Å; F191-I242 HydrophobicContact CE2-CD1 3.73Å; F191-I242 HydrophobicContact CE2-CG2 3.98Å; F191-I242 HydrophobicContact CG-CG2 3.74Å; F191-I242 HydrophobicContact CZ-CD1 3.66Å; F191-I242 HydrophobicContact CZ-CG2 4.35Å; F235-I242 WeakPolarHBondContact CD1-O 3.13Å; H240-I242 PolarHBondContact ND1-N 3.26Å; H240-I242 VanDerWaalsContact ND1-N 3.18Å; H240-I242 PolarHBondContact ND1-O 2.77Å; H240-I242 VanDerWaalsContact ND1-O 3.13Å; H240-I242 PolarHBondContact O-N 2.99Å
243N91.9Very high90.6Very high129 Ų12971.8 Ų71.869%0.6934%0.342SS*.  trans-73135175.8-68-21.9000110.6
244F95.1Very high90.3Very high23 Ų2373.3 Ų73.310%0.10136%0.356CS..  trans-87.3122.2168.9-176.1-97.4000109.3I186 F191 L196 I228 V231 A232 F235 L246I186-F244 HydrophobicContact CG2-CD2 4.05Å; I186-F244 HydrophobicContact CG2-CE2 4.05Å; F191-F244 HydrophobicContact CB-CD2 4.26Å; F191-F244 CarbonylContact O-C 3.57Å; F191-F244 WeakPolarHBondContact O-CA 3.45Å; F191-F244 VanDerWaalsContact O-CD2 3.32Å; F191-F244 WeakPolarHBondContact O-CD2 3.33Å; L196-F244 HydrophobicContact CD2-CE2 3.9Å; L196-F244 HydrophobicContact CD2-CZ 3.81Å; I228-F244 HydrophobicContact CG2-CE1 3.98Å; I228-F244 HydrophobicContact CG2-CZ 4.05Å; V231-F244 HydrophobicContact CG1-CD2 4Å; V231-F244 HydrophobicContact CG1-CE1 4.37Å; V231-F244 HydrophobicContact CG1-CE2 3.86Å; V231-F244 HydrophobicContact CG1-CG 4.33Å; V231-F244 HydrophobicContact CG1-CZ 4.05Å; A232-F244 HydrophobicContact CB-CD1 3.65Å; A232-F244 HydrophobicContact CB-CE1 4.05Å; F235-F244 HydrophobicContact CB-CB 4.16Å; F235-F244 HydrophobicContact CD1-CB 4Å; F235-F244 HydrophobicContact CD2-CB 4.25Å; F235-F244 HydrophobicContact CE1-CB 4.47Å; F235-F244 HydrophobicContact CE2-CD2 4.49Å; F235-F244 HydrophobicContact CG-CB 3.87Å; F244-L246 HydrophobicContact CD1-CB 4.23Å; F244-L246 HydrophobicContact CE1-CB 4.28Å; F244-L246 PolarHBondContact O-N 2.7Å
245L95.2Very high89.9Confident101 Ų10173.8 Ų73.853%0.52936%0.359SS..BIsolated β-bridgetrans-84.895.6-177.3-56.6178000109.6F191 S193F191-L245 PolarHBondContact O-N 3.44Å; S193-L245 WeakPolarHBondContact CB-O 3.45Å; S193-L245 PolarHBondContact N-O 2.97Å; S193-L245 PolarHBondContact OG-O 2.68Å
246L94.2Very high89.5Confident16 Ų1675.6 Ų75.68%0.08437%0.373CS..  trans-95122.8176.7178.657.4000111.1I228 A232 F244 H248 L251I228-L246 HydrophobicContact CG2-CD1 3.71Å; A232-L246 HydrophobicContact CB-CB 4.13Å; A232-L246 HydrophobicContact CB-CD2 3.5Å; A232-L246 VanDerWaalsContact CB-CD2 3.5Å; A232-L246 HydrophobicContact CB-CG 4.35Å; F244-L246 HydrophobicContact CD1-CB 4.23Å; F244-L246 HydrophobicContact CE1-CB 4.28Å; F244-L246 PolarHBondContact O-N 2.7Å; L246-H248 WeakPolarHBondContact CD2-CE1 3.2Å; L246-H248 WeakPolarHBondContact CD2-NE2 3.44Å; L246-H248 PolarHBondContact O-N 3.13Å; L246-L251 HydrophobicContact CD1-CD1 4Å
247D93.1Very high89.2Confident24 Ų2471.4 Ų71.413%0.12836%0.363CS..  trans-86.398.6165.7-164.5-44.4000109.7F5 S193 E249 Q250 L251F5-D247 WeakPolarHBondContact CB-OD2 3.25Å; F5-D247 HydrophobicContact CD2-CB 3.69Å; F5-D247 HydrophobicContact CE2-CB 4.35Å; S193-D247 PolarHBondContact OG-N 2.77Å; D247-E249 VanDerWaalsContact C-N 3.33Å; D247-E249 PolarHBondContact OD1-N 3.19Å; D247-Q250 HydrophobicContact CB-CB 4.33Å; D247-Q250 WeakPolarHBondContact OD1-CB 3.17Å; D247-Q250 PolarHBondContact OD1-N 3.27Å; D247-L251 WeakPolarHBondContact O-CB 3.46Å; D247-L251 PolarHBondContact O-N 3.36Å
248H89.1Confident89.2Confident115 Ų11572.6 Ų72.653%0.53236%0.364SS..THydrogen-bonded Turntrans-70.7-29.9179.5-71.9-86.2000112.8H229 L246 R252H229-H248 AromaticContact CE1-ND1 3.92Å; L246-H248 WeakPolarHBondContact CD2-CE1 3.2Å; L246-H248 WeakPolarHBondContact CD2-NE2 3.44Å; L246-H248 PolarHBondContact O-N 3.13Å; H248-R252 WeakPolarHBondContact O-CB 3.41Å
249E89Confident89.4Confident124 Ų12470.9 Ų70.958%0.57936%0.355SS*.THydrogen-bonded Turntrans-73-43.8-176.7-72.7-55.3133.400110.6D247 R252D247-E249 VanDerWaalsContact C-N 3.33Å; D247-E249 PolarHBondContact OD1-N 3.19Å; E249-R252 VanDerWaalsContact O-CD 3.22Å; E249-R252 WeakPolarHBondContact O-CD 3.4Å; E249-R252 VanDerWaalsContact O-CG 3.25Å; E249-R252 WeakPolarHBondContact O-CG 3.42Å; E249-R252 PolarHBondContact O-NE 2.76Å; E249-R252 PolarHBondContact O-NH1 2.92Å; E249-R252 IonicContact OE2-CZ 3.47Å; E249-R252 IonicContact OE2-NH1 2.99Å; E249-R252 PolarHBondContact OE2-NH1 3.2Å
250Q90.3Very high89.6Confident36 Ų3664.7 Ų64.717%0.16832%0.323CS..THydrogen-bonded Turntrans-82.2-25.6-175.9-165.651.160.100113.2F5 D17 D247F5-Q250 HydrophobicContact CB-CB 3.9Å; F5-Q250 HydrophobicContact CB-CG 3.73Å; F5-Q250 HydrophobicContact CD1-CB 4.14Å; F5-Q250 HydrophobicContact CD1-CG 3.22Å; F5-Q250 HydrophobicContact CD2-CB 3.76Å; F5-Q250 HydrophobicContact CD2-CG 3.76Å; F5-Q250 HydrophobicContact CE1-CG 3.61Å; F5-Q250 HydrophobicContact CE2-CB 4.26Å; F5-Q250 HydrophobicContact CE2-CG 4.11Å; F5-Q250 HydrophobicContact CG-CB 3.68Å; F5-Q250 HydrophobicContact CG-CG 3.29Å; F5-Q250 HydrophobicContact CZ-CG 4.04Å; D17-Q250 PolarHBondContact OD1-NE2 2.62Å; D247-Q250 HydrophobicContact CB-CB 4.33Å; D247-Q250 WeakPolarHBondContact OD1-CB 3.17Å; D247-Q250 PolarHBondContact OD1-N 3.27Å
251L91.2Very high89.7Confident0 Ų066.7 Ų66.70%033%0.332CS..THydrogen-bonded Turntrans-104.942179.7-54.9-177.3000112.9F5 L197 Q225 I228 H229 L246 D247F5-L251 HydrophobicContact CE2-CD1 4.23Å; F5-L251 HydrophobicContact CE2-CD2 3.77Å; F5-L251 HydrophobicContact CE2-CG 3.93Å; F5-L251 HydrophobicContact CZ-CD2 3.65Å; F5-L251 HydrophobicContact CZ-CG 4.34Å; L197-L251 HydrophobicContact CD2-CD2 4.16Å; Q225-L251 HydrophobicContact CG-CB 4.24Å; Q225-L251 HydrophobicContact CG-CD2 4.03Å; Q225-L251 PolarHBondContact OE1-O 3.18Å; Q225-L251 VanDerWaalsContact OE1-O 3.07Å; I228-L251 HydrophobicContact CB-CD1 4.3Å; I228-L251 HydrophobicContact CD1-CD1 4.04Å; I228-L251 HydrophobicContact CG2-CD1 3.65Å; H229-L251 PolarHBondContact NE2-O 3.12Å; L246-L251 HydrophobicContact CD1-CD1 4Å; D247-L251 WeakPolarHBondContact O-CB 3.46Å; D247-L251 PolarHBondContact O-N 3.36Å
252R90Very high89.8Confident91 Ų9160.5 Ų60.534%0.34331%0.307SS..  trans-97.25.9-176.963.6-174.1-175.8-120-8.8116.3I19 H248 E249 S254 E304I19-R252 HydrophobicContact CD1-CG 3.58Å; H248-R252 WeakPolarHBondContact O-CB 3.41Å; E249-R252 VanDerWaalsContact O-CD 3.22Å; E249-R252 WeakPolarHBondContact O-CD 3.4Å; E249-R252 VanDerWaalsContact O-CG 3.25Å; E249-R252 WeakPolarHBondContact O-CG 3.42Å; E249-R252 PolarHBondContact O-NE 2.76Å; E249-R252 PolarHBondContact O-NH1 2.92Å; E249-R252 IonicContact OE2-CZ 3.47Å; E249-R252 IonicContact OE2-NH1 2.99Å; E249-R252 PolarHBondContact OE2-NH1 3.2Å; R252-S254 PolarHBondContact O-N 3.12Å; R252-S254 VanDerWaalsContact O-N 3.09Å; R252-E304 IonicContact CZ-OE1 3.86Å; R252-E304 IonicContact NE-OE1 3.65Å; R252-E304 PolarHBondContact NE-OE1 3.05Å; R252-E304 IonicContact NH2-OE1 2.78Å; R252-E304 PolarHBondContact NH2-OE1 3.4Å
253I84.2Confident90Very high7 Ų757.7 Ų57.74%0.03629%0.292CS..  trans-64.2118.5177.3-59-60.3000108.9P18 I19 V22 L222 Q225 N300P18-I253 HydrophobicContact CB-CD1 4.16Å; P18-I253 HydrophobicContact CB-CG1 3.5Å; I19-I253 HydrophobicContact CD1-CD1 3.95Å; I19-I253 HydrophobicContact CD1-CG1 4.48Å; V22-I253 HydrophobicContact CG2-CD1 3.61Å; L222-I253 HydrophobicContact CB-CG2 4.37Å; L222-I253 HydrophobicContact CD1-CG2 4.24Å; L222-I253 WeakPolarHBondContact CD1-O 3.48Å; Q225-I253 VanDerWaalsContact NE2-CG1 3.27Å; I253-N300 WeakPolarHBondContact CA-ND2 3.48Å; I253-N300 HydrophobicContact CD1-CB 4.46Å; I253-N300 VanDerWaalsContact CD1-CG 3.45Å; I253-N300 WeakPolarHBondContact CD1-ND2 3.49Å; I253-N300 WeakPolarHBondContact CD1-OD1 3.27Å; I253-N300 WeakPolarHBondContact CG2-ND2 3.45Å
254S84Confident90.1Very high63 Ų6356 Ų5644%0.44128%0.276SS..  trans-129.7-7.3-177.455.20000113.5R252 N300R252-S254 PolarHBondContact O-N 3.12Å; R252-S254 VanDerWaalsContact O-N 3.09Å; S254-N300 PolarHBondContact N-ND2 2.97Å
255S82.7Confident90.1Very high11 Ų1162.1 Ų62.18%0.07730%0.303CS..  trans-72.5135.1179.467.30000112.2L222 R296 N300L222-S255 WeakPolarHBondContact CD2-O 3.5Å; S255-R296 PolarHBondContact OG-O 3.37Å; S255-N300 PolarHBondContact N-ND2 3.19Å; S255-N300 VanDerWaalsContact OG-CA 3.31Å; S255-N300 WeakPolarHBondContact OG-CA 3.43Å; S255-N300 VanDerWaalsContact OG-CB 3.22Å; S255-N300 WeakPolarHBondContact OG-CB 3.22Å; S255-N300 PolarHBondContact OG-N 3.35Å; S255-N300 PolarHBondContact OG-ND2 3.49Å
256S83.3Confident90.2Very high48 Ų4861.5 Ų61.534%0.33629%0.294SS..  trans-117.6176.9169.169.60000110.2R258 N259 V260S256-R258 PolarHBondContact O-N 3.35Å; S256-R258 WeakPolarHBondContact OG-CB 3.44Å; S256-R258 PolarHBondContact OG-N 3.09Å; S256-N259 PolarHBondContact N-OD1 3.42Å; S256-N259 WeakPolarHBondContact O-CB 3.35Å; S256-N259 PolarHBondContact O-N 2.93Å; S256-N259 PolarHBondContact OG-OD1 3.04Å; S256-V260 PolarHBondContact O-N 3.32Å
257C83.4Confident90.2Very high75 Ų7565.7 Ų65.751%0.50731%0.314SS..Hα-helixtrans-54.6-22170.658.60000113.5Q261C257-Q261 PolarHBondContact O-N 3.41Å
258R87Confident90.4Very high114 Ų11464.6 Ų64.643%0.4331%0.307SS..Hα-helixtrans-69.1-36.8173.4-17655.9174.8-179.42.9111.9S256 V260 Q261 M262S256-R258 PolarHBondContact O-N 3.35Å; S256-R258 WeakPolarHBondContact OG-CB 3.44Å; S256-R258 PolarHBondContact OG-N 3.09Å; R258-V260 VanDerWaalsContact C-N 3.34Å; R258-Q261 WeakPolarHBondContact O-CB 3.46Å; R258-Q261 PolarHBondContact O-N 2.94Å; R258-M262 HydrophobicContact CG-SD 4.11Å; R258-M262 WeakPolarHBondContact O-CG 3.31Å; R258-M262 PolarHBondContact O-N 3.1Å
259N91.1Very high90.8Very high33 Ų3359.2 Ų59.218%0.17628%0.283CS..Hα-helixtrans-67.6-36.6177.2-61.285.7000111.1S256 Q261 M262 F263 S299S256-N259 PolarHBondContact N-OD1 3.42Å; S256-N259 WeakPolarHBondContact O-CB 3.35Å; S256-N259 PolarHBondContact O-N 2.93Å; S256-N259 PolarHBondContact OG-OD1 3.04Å; N259-Q261 VanDerWaalsContact C-N 3.32Å; N259-Q261 PolarHBondContact O-N 3.22Å; N259-M262 PolarHBondContact O-N 3.16Å; N259-F263 HydrophobicContact CB-CD2 4.1Å; N259-F263 HydrophobicContact CB-CE2 3.94Å; N259-F263 WeakPolarHBondContact O-CB 3.5Å; N259-F263 WeakPolarHBondContact O-CD2 3.41Å; N259-F263 PolarHBondContact O-N 3.29Å; N259-S299 VanDerWaalsContact C-OG 3.32Å; N259-S299 WeakPolarHBondContact CB-OG 3.46Å
260V93.3Very high91.1Very high15 Ų1556.7 Ų56.79%0.09128%0.276CS..Hα-helixtrans-55.4-49.2171.9-179.30000110.4S256 R258 M262 R264 L269 M295 S299S256-V260 PolarHBondContact O-N 3.32Å; R258-V260 VanDerWaalsContact C-N 3.34Å; V260-M262 PolarHBondContact O-N 2.85Å; V260-R264 VanDerWaalsContact O-CB 3.26Å; V260-R264 WeakPolarHBondContact O-CB 3.28Å; V260-R264 PolarHBondContact O-N 3.08Å; V260-L269 HydrophobicContact CG1-CD2 3.9Å; V260-M295 HydrophobicContact CG1-CB 4.29Å; V260-M295 HydrophobicContact CG1-CG 4.42Å; V260-M295 HydrophobicContact CG1-SD 4.16Å; V260-M295 HydrophobicContact CG2-CB 4.4Å; V260-S299 PolarHBondContact N-OG 3.36Å
261Q92.2Very high91.5Very high88 Ų8856 Ų5641%0.41127%0.273SS..Hα-helixtrans-61.7-44.8178-65.317017.400112.2C257 R258 N259 F265C257-Q261 PolarHBondContact O-N 3.41Å; R258-Q261 WeakPolarHBondContact O-CB 3.46Å; R258-Q261 PolarHBondContact O-N 2.94Å; N259-Q261 VanDerWaalsContact C-N 3.32Å; N259-Q261 PolarHBondContact O-N 3.22Å; Q261-F265 WeakPolarHBondContact O-CB 3.37Å; Q261-F265 PolarHBondContact O-N 3.1Å
262M93.2Very high91.8Very high81 Ų8156.9 Ų56.940%0.39928%0.279SS..Hα-helixtrans-65.5-50.6-178.8-72.7173.758.700111.6R258 N259 V260 R264 F265 Y266R258-M262 HydrophobicContact CG-SD 4.11Å; R258-M262 WeakPolarHBondContact O-CG 3.31Å; R258-M262 PolarHBondContact O-N 3.1Å; N259-M262 PolarHBondContact O-N 3.16Å; V260-M262 PolarHBondContact O-N 2.85Å; M262-R264 VanDerWaalsContact C-N 3.29Å; M262-R264 PolarHBondContact O-N 3.16Å; M262-F265 WeakPolarHBondContact O-CB 3.3Å; M262-F265 PolarHBondContact O-N 3.27Å; M262-F265 VanDerWaalsContact O-N 3.12Å; M262-Y266 WeakPolarHBondContact O-CD2 3.19Å; M262-Y266 PolarHBondContact O-N 2.85Å
263F96Very high92.1Very high17 Ų1757.4 Ų57.48%0.07529%0.294CS..Hα-helixtrans-68.4-29.4-179-67.3-52.6000112.9N259 E267 L268 L269 S299 C302 V303 F306N259-F263 HydrophobicContact CB-CD2 4.1Å; N259-F263 HydrophobicContact CB-CE2 3.94Å; N259-F263 WeakPolarHBondContact O-CB 3.5Å; N259-F263 WeakPolarHBondContact O-CD2 3.41Å; N259-F263 PolarHBondContact O-N 3.29Å; F263-E267 CarbonylContact O-C 3.56Å; F263-E267 PolarHBondContact O-N 2.93Å; F263-E267 VanDerWaalsContact O-N 3.14Å; F263-L268 HydrophobicContact CB-CB 4.15Å; F263-L268 HydrophobicContact CD1-CB 4.03Å; F263-L268 HydrophobicContact CD1-CD1 3.63Å; F263-L268 HydrophobicContact CD1-CG 4.45Å; F263-L268 HydrophobicContact CE1-CD1 3.96Å; F263-L268 HydrophobicContact CG-CB 4.48Å; F263-L268 PolarHBondContact O-N 2.79Å; F263-L269 HydrophobicContact CB-CB 3.69Å; F263-L269 PolarHBondContact O-N 3.45Å; F263-S299 WeakPolarHBondContact CE2-O 3.43Å; F263-C302 HydrophobicContact CB-CB 4.39Å; F263-C302 HydrophobicContact CD1-CB 4.03Å; F263-C302 HydrophobicContact CD2-CB 3.5Å; F263-C302 VanDerWaalsContact CD2-CB 3.5Å; F263-C302 HydrophobicContact CE1-CB 4.12Å; F263-C302 HydrophobicContact CE2-CB 3.6Å; F263-C302 HydrophobicContact CG-CB 3.73Å; F263-C302 HydrophobicContact CZ-CB 3.91Å; F263-V303 HydrophobicContact CE2-CB 4.45Å; F263-V303 HydrophobicContact CE2-CG2 3.5Å; F263-V303 VanDerWaalsContact CE2-CG2 3.5Å; F263-V303 HydrophobicContact CZ-CB 4.4Å; F263-V303 HydrophobicContact CZ-CG2 3.75Å; F263-F306 HydrophobicContact CE1-CB 4.47Å
264R95.4Very high92.7Very high93 Ų9362.2 Ų62.235%0.35132%0.317SS..Hα-helixtrans-66.7-44.2168.9-176.7178.1161.6-77.90.4111.5V260 M262 Y266 E267 E276V260-R264 VanDerWaalsContact O-CB 3.26Å; V260-R264 WeakPolarHBondContact O-CB 3.28Å; V260-R264 PolarHBondContact O-N 3.08Å; M262-R264 VanDerWaalsContact C-N 3.29Å; M262-R264 PolarHBondContact O-N 3.16Å; R264-Y266 VanDerWaalsContact C-N 3.32Å; R264-Y266 PolarHBondContact O-N 3.32Å; R264-E267 PolarHBondContact O-N 2.95Å; R264-E276 IonicContact CZ-OE1 3.37Å; R264-E276 IonicContact CZ-OE2 2.79Å; R264-E276 VanDerWaalsContact CZ-OE2 3.23Å; R264-E276 IonicContact NE-OE2 3.46Å; R264-E276 PolarHBondContact NE-OE2 3.24Å; R264-E276 IonicContact NH2-OE1 2.99Å; R264-E276 PolarHBondContact NH2-OE1 3.26Å; R264-E276 IonicContact NH2-OE2 3.78Å; R264-E276 PolarHBondContact NH2-OE2 2.97Å
265F95Very high93.3Very high153 Ų15359.2 Ų59.267%0.67130%0.296SS*.Hα-helixtrans-60.2-40.7178.5177.7-93.8000112.5Q261 M262 E267Q261-F265 WeakPolarHBondContact O-CB 3.37Å; Q261-F265 PolarHBondContact O-N 3.1Å; M262-F265 WeakPolarHBondContact O-CB 3.3Å; M262-F265 PolarHBondContact O-N 3.27Å; M262-F265 VanDerWaalsContact O-N 3.12Å; F265-E267 PolarHBondContact O-N 2.99Å
266Y95.6Very high93.9Very high87 Ų8760.6 Ų60.634%0.34130%0.301SS..THydrogen-bonded Turntrans-86.510.6175.6-66.8-69.6000113.7V42 M45 M262 R264 L268V42-Y266 HydrophobicContact CG1-CG 4.32Å; M45-Y266 HydrophobicContact CE-CE1 4.45Å; M45-Y266 HydrophobicContact SD-CD1 4.23Å; M45-Y266 HydrophobicContact SD-CE1 3.64Å; M262-Y266 WeakPolarHBondContact O-CD2 3.19Å; M262-Y266 PolarHBondContact O-N 2.85Å; R264-Y266 VanDerWaalsContact C-N 3.32Å; R264-Y266 PolarHBondContact O-N 3.32Å; Y266-L268 PolarHBondContact O-N 3.28Å
267E96.3Very high94.6Very high105 Ų10563 Ų6349%0.49131%0.307SS..THydrogen-bonded Turntrans58.916177.4-53178.3105.700115.2N35 K38 F263 R264 F265N35-E267 WeakPolarHBondContact CB-O 2.96Å; N35-E267 PolarHBondContact ND2-O 3.18Å; N35-E267 VanDerWaalsContact ND2-O 3.11Å; K38-E267 HydrophobicContact CD-CB 4.15Å; K38-E267 VanDerWaalsContact CE-OE2 3.26Å; K38-E267 WeakPolarHBondContact CE-OE2 3.36Å; K38-E267 HydrophobicContact CG-CB 3.99Å; K38-E267 IonicContact NZ-OE2 2.73Å; K38-E267 PolarHBondContact NZ-OE2 3.09Å; F263-E267 CarbonylContact O-C 3.56Å; F263-E267 PolarHBondContact O-N 2.93Å; F263-E267 VanDerWaalsContact O-N 3.14Å; R264-E267 PolarHBondContact O-N 2.95Å; F265-E267 PolarHBondContact O-N 2.99Å
268L96.2Very high95.2Very high0 Ų062 Ų620%029%0.293CS..SBendtrans-75.4-26.6172.8-73.3176.4000112.7F34 N35 K38 L39 V42 F263 Y266 F306F34-L268 WeakPolarHBondContact CD2-O 3.18Å; F34-L268 HydrophobicContact CE2-CD2 4.34Å; N35-L268 PolarHBondContact N-O 2.71Å; K38-L268 HydrophobicContact CB-CD2 3.84Å; L39-L268 VanDerWaalsContact CA-CD2 3.47Å; L39-L268 HydrophobicContact CB-CD2 4.28Å; V42-L268 HydrophobicContact CB-CD1 3.86Å; V42-L268 HydrophobicContact CB-CD2 4.31Å; V42-L268 HydrophobicContact CB-CG 4.22Å; V42-L268 HydrophobicContact CG1-CD1 3.59Å; V42-L268 HydrophobicContact CG1-CG 4.35Å; V42-L268 HydrophobicContact CG2-CD1 4.11Å; V42-L268 HydrophobicContact CG2-CD2 4.16Å; V42-L268 HydrophobicContact CG2-CG 3.95Å; F263-L268 HydrophobicContact CB-CB 4.15Å; F263-L268 HydrophobicContact CD1-CB 4.03Å; F263-L268 HydrophobicContact CD1-CD1 3.63Å; F263-L268 HydrophobicContact CD1-CG 4.45Å; F263-L268 HydrophobicContact CE1-CD1 3.96Å; F263-L268 HydrophobicContact CG-CB 4.48Å; F263-L268 PolarHBondContact O-N 2.79Å; Y266-L268 PolarHBondContact O-N 3.28Å; L268-F306 HydrophobicContact CD1-CD2 4.33Å
269L96.9Very high95.5Very high3 Ų359.4 Ų59.42%0.01629%0.286CS..EExtended strand (participates in β ladder)trans-115.5107.5176-171101000108.8V32 V260 F263 I271 M298V32-L269 HydrophobicContact CG1-CD1 3.6Å; V32-L269 HydrophobicContact CG1-CD2 3.96Å; V32-L269 HydrophobicContact CG1-CG 3.67Å; V260-L269 HydrophobicContact CG1-CD2 3.9Å; F263-L269 HydrophobicContact CB-CB 3.69Å; F263-L269 PolarHBondContact O-N 3.45Å; L269-I271 HydrophobicContact CD2-CG2 4.05Å; L269-M298 VanDerWaalsContact CD1-C 3.5Å; L269-M298 HydrophobicContact CD1-CB 3.56Å
270T96.9Very high95.6Very high70 Ų7064.2 Ų64.243%0.42931%0.307SS..EExtended strand (participates in β ladder)trans-93130.5176.2-51.10000109.2V32 K33V32-T270 CarbonylContact C-O 3.48Å; V32-T270 WeakPolarHBondContact CA-O 3.44Å; K33-T270 PolarHBondContact N-O 3.45Å; K33-T270 PolarHBondContact O-N 2.98Å
271I96.7Very high95.7Very high23 Ų2369.4 Ų69.412%0.11833%0.329CS..EExtended strand (participates in β ladder)trans-112.9151177.360.1165.8000110.4K31 V32 L269 I275 E276 M279K31-I271 CarbonylContact O-C 3.16Å; K31-I271 WeakPolarHBondContact O-CA 3.45Å; V32-I271 HydrophobicContact CG1-CG2 4.13Å; V32-I271 HydrophobicContact CG2-CG2 4.2Å; L269-I271 HydrophobicContact CD2-CG2 4.05Å; I271-I275 HydrophobicContact CB-CB 4.28Å; I271-I275 HydrophobicContact CB-CG2 4.08Å; I271-I275 HydrophobicContact CD1-CB 4.27Å; I271-I275 HydrophobicContact CD1-CG2 3.67Å; I271-I275 HydrophobicContact CG1-CG2 4.45Å; I271-I275 HydrophobicContact CG2-CG2 4.4Å; I271-E276 HydrophobicContact CD1-CB 4.06Å; I271-E276 WeakPolarHBondContact CD1-OE2 3.5Å; I271-E276 HydrophobicContact CG1-CB 4.46Å; I271-M279 HydrophobicContact CD1-CE 4.04Å; I271-M279 HydrophobicContact CD1-SD 3.73Å
272S97.6Very high95.6Very high17 Ų1774 Ų7412%0.11935%0.347CS..  trans-63.6154.3176.464.50000112.2K31 E274 I275 E276K31-S272 WeakPolarHBondContact CB-OG 3.41Å; K31-S272 PolarHBondContact O-N 2.72Å; S272-E274 VanDerWaalsContact CB-OE2 3.25Å; S272-E274 WeakPolarHBondContact CB-OE2 3.14Å; S272-E274 PolarHBondContact O-N 3.35Å; S272-E274 PolarHBondContact OG-OE2 2.91Å; S272-I275 PolarHBondContact O-N 2.84Å; S272-I275 VanDerWaalsContact O-N 3.17Å; S272-I275 WeakPolarHBondContact OG-CG1 3.46Å; S272-I275 PolarHBondContact OG-N 2.99Å; S272-E276 PolarHBondContact O-N 2.81Å
273P97.1Very high95.6Very high103 Ų10373.8 Ų73.867%0.66935%0.348SS*.Hα-helixtrans-53.2-34.2175.6-26.735.8000114.3E276 E277P273-E276 WeakPolarHBondContact O-CB 3.46Å; P273-E276 PolarHBondContact O-N 3.13Å; P273-E277 WeakPolarHBondContact O-CB 3.43Å; P273-E277 PolarHBondContact O-N 3.22Å
274E97Very high95.4Very high107 Ų10780.7 Ų80.750%0.538%0.384SS..Hα-helixtrans-68.1-43-179.4-60.482.5174.400111.9S272 E276 R278S272-E274 VanDerWaalsContact CB-OE2 3.25Å; S272-E274 WeakPolarHBondContact CB-OE2 3.14Å; S272-E274 PolarHBondContact O-N 3.35Å; S272-E274 PolarHBondContact OG-OE2 2.91Å; E274-E276 VanDerWaalsContact C-N 3.32Å; E274-R278 WeakPolarHBondContact O-CG 3.27Å; E274-R278 PolarHBondContact O-N 3.4Å; E274-R278 VanDerWaalsContact O-N 3.14Å
275I97.1Very high95.3Very high0 Ų078.6 Ų78.60%038%0.378CS..Hα-helixtrans-65-41.5174-66.8177.9000109.7K31 V32 I271 S272 R278 M279 F285 D291 M295K31-I275 HydrophobicContact CB-CD1 3.63Å; K31-I275 HydrophobicContact CB-CG1 4.44Å; K31-I275 HydrophobicContact CD-CD1 4.15Å; K31-I275 HydrophobicContact CD-CG1 4.28Å; V32-I275 HydrophobicContact CG2-CD1 3.71Å; I271-I275 HydrophobicContact CB-CB 4.28Å; I271-I275 HydrophobicContact CB-CG2 4.08Å; I271-I275 HydrophobicContact CD1-CB 4.27Å; I271-I275 HydrophobicContact CD1-CG2 3.67Å; I271-I275 HydrophobicContact CG1-CG2 4.45Å; I271-I275 HydrophobicContact CG2-CG2 4.4Å; S272-I275 PolarHBondContact O-N 2.84Å; S272-I275 VanDerWaalsContact O-N 3.17Å; S272-I275 WeakPolarHBondContact OG-CG1 3.46Å; S272-I275 PolarHBondContact OG-N 2.99Å; I275-R278 PolarHBondContact O-N 3.1Å; I275-M279 HydrophobicContact CG2-CE 3.89Å; I275-M279 WeakPolarHBondContact O-CG 3.01Å; I275-M279 PolarHBondContact O-N 2.57Å; I275-F285 HydrophobicContact CG2-CE1 4.16Å; I275-F285 HydrophobicContact CG2-CZ 3.8Å; I275-D291 HydrophobicContact CD1-CB 3.96Å; I275-D291 HydrophobicContact CG1-CB 4.06Å; I275-M295 HydrophobicContact CG2-CE 4.29Å; I275-M295 HydrophobicContact CG2-SD 3.96Å
276E95.6Very high95.3Very high41 Ų4174.1 Ų74.119%0.19237%0.369CS..Hα-helixtrans-61.6-45.1179-177.160.1-144.500111.4R264 I271 S272 P273 E274 R278 M279 Q280R264-E276 IonicContact CZ-OE1 3.37Å; R264-E276 IonicContact CZ-OE2 2.79Å; R264-E276 VanDerWaalsContact CZ-OE2 3.23Å; R264-E276 IonicContact NE-OE2 3.46Å; R264-E276 PolarHBondContact NE-OE2 3.24Å; R264-E276 IonicContact NH2-OE1 2.99Å; R264-E276 PolarHBondContact NH2-OE1 3.26Å; R264-E276 IonicContact NH2-OE2 3.78Å; R264-E276 PolarHBondContact NH2-OE2 2.97Å; I271-E276 HydrophobicContact CD1-CB 4.06Å; I271-E276 WeakPolarHBondContact CD1-OE2 3.5Å; I271-E276 HydrophobicContact CG1-CB 4.46Å; S272-E276 PolarHBondContact O-N 2.81Å; P273-E276 WeakPolarHBondContact O-CB 3.46Å; P273-E276 PolarHBondContact O-N 3.13Å; E274-E276 VanDerWaalsContact C-N 3.32Å; E276-R278 PolarHBondContact O-N 3.42Å; E276-M279 PolarHBondContact O-N 3.47Å; E276-Q280 VanDerWaalsContact O-CG 3.31Å; E276-Q280 WeakPolarHBondContact O-CG 3.23Å; E276-Q280 PolarHBondContact O-N 2.99Å; E276-Q280 PolarHBondContact OE1-NE2 2.85Å
277E97Very high95.2Very high97 Ų9776.5 Ų76.545%0.45338%0.378SS..Hα-helixtrans-60.1-45.9176-174.4-177.8-177.400111.7P273 M279 Q280 K281P273-E277 WeakPolarHBondContact O-CB 3.43Å; P273-E277 PolarHBondContact O-N 3.22Å; E277-M279 VanDerWaalsContact C-N 3.35Å; E277-M279 PolarHBondContact O-N 2.98Å; E277-Q280 PolarHBondContact O-N 3Å; E277-K281 HydrophobicContact CG-CD 4.29Å; E277-K281 WeakPolarHBondContact O-CG 3.19Å; E277-K281 PolarHBondContact O-N 2.95Å; E277-K281 VanDerWaalsContact OE1-CE 3.22Å; E277-K281 WeakPolarHBondContact OE1-CE 3.37Å; E277-K281 IonicContact OE1-NZ 3.55Å; E277-K281 PolarHBondContact OE1-NZ 3.3Å
278R96.3Very high95.2Very high56 Ų5672.1 Ų72.121%0.21136%0.362CS..Hα-helixtrans-59.4-44.3175.7-74.1-179.867.3-173.51.8111.8E274 I275 E276 Q280 K281 K282 D283 L284 F285 E289 D291E274-R278 WeakPolarHBondContact O-CG 3.27Å; E274-R278 PolarHBondContact O-N 3.4Å; E274-R278 VanDerWaalsContact O-N 3.14Å; I275-R278 PolarHBondContact O-N 3.1Å; E276-R278 PolarHBondContact O-N 3.42Å; R278-Q280 VanDerWaalsContact C-N 3.34Å; R278-Q280 PolarHBondContact O-N 2.98Å; R278-K281 PolarHBondContact O-N 3.48Å; R278-K282 PolarHBondContact O-N 2.85Å; R278-K282 VanDerWaalsContact O-N 3.12Å; R278-D283 HydrophobicContact CB-CB 4.17Å; R278-D283 HydrophobicContact CG-CB 4.49Å; R278-D283 PolarHBondContact O-N 3.17Å; R278-L284 PolarHBondContact NH2-O 2.73Å; R278-F285 HydrophobicContact CB-CE1 4.35Å; R278-F285 HydrophobicContact CB-CE2 4.47Å; R278-F285 HydrophobicContact CB-CZ 3.81Å; R278-E289 IonicContact CZ-OE1 2.84Å; R278-E289 IonicContact CZ-OE2 3.86Å; R278-E289 IonicContact NH1-OE1 2.64Å; R278-E289 PolarHBondContact NH1-OE1 2.83Å; R278-E289 IonicContact NH1-OE2 3.99Å; R278-E289 PolarHBondContact NH1-OE2 3.48Å; R278-E289 IonicContact NH2-OE1 3.91Å; R278-E289 PolarHBondContact NH2-OE1 2.78Å; R278-E289 IonicContact NH2-OE2 2.85Å; R278-E289 PolarHBondContact NH2-OE2 3.49Å; R278-E289 VanDerWaalsContact NH2-OE2 3.16Å; R278-D291 IonicContact NH1-OD2 2.62Å; R278-D291 PolarHBondContact NH1-OD2 3.35Å
279M93.1Very high95.3Very high58 Ų5874 Ų7429%0.28637%0.371SS..Hα-helixtrans-60.6-42.2176.1-74.2-170.1-17900112.1I271 I275 E276 E277 K282 F285 M295I271-M279 HydrophobicContact CD1-CE 4.04Å; I271-M279 HydrophobicContact CD1-SD 3.73Å; I275-M279 HydrophobicContact CG2-CE 3.89Å; I275-M279 WeakPolarHBondContact O-CG 3.01Å; I275-M279 PolarHBondContact O-N 2.57Å; E276-M279 PolarHBondContact O-N 3.47Å; E277-M279 VanDerWaalsContact C-N 3.35Å; E277-M279 PolarHBondContact O-N 2.98Å; M279-K282 PolarHBondContact O-N 2.97Å; M279-K282 VanDerWaalsContact O-N 3.09Å; M279-F285 HydrophobicContact CE-CE2 4.33Å; M279-F285 HydrophobicContact CG-CE2 3.8Å; M279-F285 HydrophobicContact CG-CZ 4.1Å; M279-M295 HydrophobicContact CE-CE 4.22Å; M279-M295 HydrophobicContact CE-SD 3.18Å; M279-M295 WeakPolarHBondContact CE-SD 3.48Å
280Q93Very high95.3Very high135 Ų13577.3 Ų77.363%0.63139%0.392SS*.Hα-helixtrans-65.6-38.8178.5-71.3174.39.500112.2E276 E277 R278 K282E276-Q280 VanDerWaalsContact O-CG 3.31Å; E276-Q280 WeakPolarHBondContact O-CG 3.23Å; E276-Q280 PolarHBondContact O-N 2.99Å; E276-Q280 PolarHBondContact OE1-NE2 2.85Å; E277-Q280 PolarHBondContact O-N 3Å; R278-Q280 VanDerWaalsContact C-N 3.34Å; R278-Q280 PolarHBondContact O-N 2.98Å; Q280-K282 PolarHBondContact O-N 3.4Å
281K95Very high95.3Very high124 Ų12474.4 Ų74.454%0.53937%0.374SS..Hα-helixtrans-71.1-9173.2-69.8178-175171.60113.7E277 R278 D283E277-K281 HydrophobicContact CG-CD 4.29Å; E277-K281 WeakPolarHBondContact O-CG 3.19Å; E277-K281 PolarHBondContact O-N 2.95Å; E277-K281 VanDerWaalsContact OE1-CE 3.22Å; E277-K281 WeakPolarHBondContact OE1-CE 3.37Å; E277-K281 IonicContact OE1-NZ 3.55Å; E277-K281 PolarHBondContact OE1-NZ 3.3Å; R278-K281 PolarHBondContact O-N 3.48Å; K281-D283 PolarHBondContact O-N 2.77Å
282K91.2Very high95.2Very high185 Ų18574.7 Ų74.780%0.80438%0.375SS*.THydrogen-bonded Turntrans6130.2-172.9-53.4171.7-177.7169.20112.1R278 M279 Q280 L284R278-K282 PolarHBondContact O-N 2.85Å; R278-K282 VanDerWaalsContact O-N 3.12Å; M279-K282 PolarHBondContact O-N 2.97Å; M279-K282 VanDerWaalsContact O-N 3.09Å; Q280-K282 PolarHBondContact O-N 3.4Å; K282-L284 PolarHBondContact O-N 3.28Å
283D92.9Very high95.2Very high76 Ų7673.9 Ų73.941%0.40637%0.369SS..PPolyproline II helixtrans-67.3131.7174.1-65.4-22.4000108.7R278 K281R278-D283 HydrophobicContact CB-CB 4.17Å; R278-D283 HydrophobicContact CG-CB 4.49Å; R278-D283 PolarHBondContact O-N 3.17Å; K281-D283 PolarHBondContact O-N 2.77Å
284L91.1Very high95.2Very high161 Ų16169.2 Ų69.284%0.84334%0.338SS*.PPolyproline II helixtrans-74.4134.4178.5-67.9178.3000109.8R278 K282R278-L284 PolarHBondContact NH2-O 2.73Å; K282-L284 PolarHBondContact O-N 3.28Å
285F94.3Very high95.2Very high49 Ų4964.7 Ų64.722%0.21532%0.318CS..PPolyproline II helixtrans-81.3126.8168.5-65.6-92.1000109.8I275 R278 M279 E289 D291 E292 M295I275-F285 HydrophobicContact CG2-CE1 4.16Å; I275-F285 HydrophobicContact CG2-CZ 3.8Å; R278-F285 HydrophobicContact CB-CE1 4.35Å; R278-F285 HydrophobicContact CB-CE2 4.47Å; R278-F285 HydrophobicContact CB-CZ 3.81Å; M279-F285 HydrophobicContact CE-CE2 4.33Å; M279-F285 HydrophobicContact CG-CE2 3.8Å; M279-F285 HydrophobicContact CG-CZ 4.1Å; F285-E289 WeakPolarHBondContact CA-OE1 3.48Å; F285-E289 WeakPolarHBondContact CB-OE1 3.43Å; F285-E289 VanDerWaalsContact CD1-OE1 3.26Å; F285-E289 WeakPolarHBondContact CD1-OE1 3.43Å; F285-D291 HydrophobicContact CD1-CB 3.89Å; F285-D291 HydrophobicContact CE1-CB 3.84Å; F285-E292 HydrophobicContact CB-CB 4.17Å; F285-E292 HydrophobicContact CB-CG 4.45Å; F285-M295 HydrophobicContact CD1-CE 3.58Å; F285-M295 HydrophobicContact CD2-CE 3.9Å; F285-M295 HydrophobicContact CE1-CE 3.64Å; F285-M295 HydrophobicContact CE2-CE 3.96Å; F285-M295 HydrophobicContact CG-CE 3.73Å; F285-M295 HydrophobicContact CZ-CE 3.83Å
286A95Very high95.1Very high59 Ų5966.9 Ų66.949%0.48833%0.326SS..PPolyproline II helixtrans-74.1145.6179.300000110.6G288 E289A286-G288 PolarHBondContact O-N 3.17Å; A286-E289 HydrophobicContact CB-CB 4.45Å; A286-E289 PolarHBondContact N-OE1 2.99Å; A286-E289 WeakPolarHBondContact O-CG 3.47Å; A286-E289 PolarHBondContact O-N 2.97Å
287Y93.7Very high95.2Very high137 Ų13765 Ų6554%0.53732%0.317SS..THydrogen-bonded Turntrans-58.5124.8175.3176.1-101.1000110.6D209 F210 E289D209-Y287 WeakPolarHBondContact CA-OH 3.43Å; D209-Y287 PolarHBondContact OD1-OH 3.48Å; F210-Y287 PolarHBondContact N-OH 2.93Å; F210-Y287 PolarHBondContact O-OH 3.44Å; F210-Y287 VanDerWaalsContact O-OH 3.04Å; Y287-E289 VanDerWaalsContact C-N 3.31Å; Y287-E289 PolarHBondContact O-N 3.5Å
288G96Very high95.2Very high14 Ų1460.7 Ų60.714%0.14430%0.297CS..THydrogen-bonded Turntrans81.72.8175.200000115.2T211 A286 E292T211-G288 VanDerWaalsContact OG1-CA 3.22Å; T211-G288 WeakPolarHBondContact OG1-CA 3.49Å; T211-G288 PolarHBondContact OG1-O 3.15Å; A286-G288 PolarHBondContact O-N 3.17Å; G288-E292 PolarHBondContact N-OE2 3.04Å
289E97Very high95.2Very high39 Ų3958 Ų5818%0.18229%0.287CS..  trans-69.2150.6170.181.6176.9131.400110.8R278 F285 A286 Y287 D291 E292 V293R278-E289 IonicContact CZ-OE1 2.84Å; R278-E289 IonicContact CZ-OE2 3.86Å; R278-E289 IonicContact NH1-OE1 2.64Å; R278-E289 PolarHBondContact NH1-OE1 2.83Å; R278-E289 IonicContact NH1-OE2 3.99Å; R278-E289 PolarHBondContact NH1-OE2 3.48Å; R278-E289 IonicContact NH2-OE1 3.91Å; R278-E289 PolarHBondContact NH2-OE1 2.78Å; R278-E289 IonicContact NH2-OE2 2.85Å; R278-E289 PolarHBondContact NH2-OE2 3.49Å; R278-E289 VanDerWaalsContact NH2-OE2 3.16Å; F285-E289 WeakPolarHBondContact CA-OE1 3.48Å; F285-E289 WeakPolarHBondContact CB-OE1 3.43Å; F285-E289 VanDerWaalsContact CD1-OE1 3.26Å; F285-E289 WeakPolarHBondContact CD1-OE1 3.43Å; A286-E289 HydrophobicContact CB-CB 4.45Å; A286-E289 PolarHBondContact N-OE1 2.99Å; A286-E289 WeakPolarHBondContact O-CG 3.47Å; A286-E289 PolarHBondContact O-N 2.97Å; Y287-E289 VanDerWaalsContact C-N 3.31Å; Y287-E289 PolarHBondContact O-N 3.5Å; E289-D291 VanDerWaalsContact C-N 3.31Å; E289-D291 HydrophobicContact CG-CB 4.4Å; E289-D291 PolarHBondContact O-N 3.09Å; E289-E292 HydrophobicContact CG-CB 3.74Å; E289-E292 WeakPolarHBondContact O-CB 3.42Å; E289-E292 PolarHBondContact O-N 2.86Å; E289-V293 WeakPolarHBondContact O-CG2 3.07Å; E289-V293 PolarHBondContact O-N 2.66Å
290P97.3Very high95.3Very high73 Ų7355.2 Ų55.247%0.47427%0.273SS..Hα-helixtrans-52.6-44.7-175.7-29.536.3000114.1Y213 E292 V293 E294Y213-P290 HydrophobicContact CE2-CB 4.19Å; P290-E292 VanDerWaalsContact C-N 3.33Å; P290-E292 PolarHBondContact O-N 3.24Å; P290-V293 PolarHBondContact O-N 2.97Å; P290-E294 WeakPolarHBondContact O-CB 3.35Å; P290-E294 WeakPolarHBondContact O-CG 3.38Å; P290-E294 PolarHBondContact O-N 3.18Å
291D97.1Very high95.4Very high9 Ų951.2 Ų51.25%0.04825%0.253CS..Hα-helixtrans-61.3-40.2179.5-61.2-1.6000111.8K31 I275 R278 F285 E289 M295K31-D291 VanDerWaalsContact CD-OD1 3.26Å; K31-D291 WeakPolarHBondContact CD-OD1 3.37Å; K31-D291 WeakPolarHBondContact CE-OD1 3.39Å; K31-D291 IonicContact NZ-OD1 2.73Å; K31-D291 PolarHBondContact NZ-OD1 3.33Å; K31-D291 IonicContact NZ-OD2 3.34Å; I275-D291 HydrophobicContact CD1-CB 3.96Å; I275-D291 HydrophobicContact CG1-CB 4.06Å; R278-D291 IonicContact NH1-OD2 2.62Å; R278-D291 PolarHBondContact NH1-OD2 3.35Å; F285-D291 HydrophobicContact CD1-CB 3.89Å; F285-D291 HydrophobicContact CE1-CB 3.84Å; E289-D291 VanDerWaalsContact C-N 3.31Å; E289-D291 HydrophobicContact CG-CB 4.4Å; E289-D291 PolarHBondContact O-N 3.09Å; D291-M295 WeakPolarHBondContact O-CB 3.29Å; D291-M295 VanDerWaalsContact O-CE 3.27Å; D291-M295 WeakPolarHBondContact O-CE 3.48Å; D291-M295 VanDerWaalsContact O-CG 3.28Å; D291-M295 WeakPolarHBondContact O-CG 3.4Å; D291-M295 PolarHBondContact O-N 3.38Å; D291-M295 VanDerWaalsContact O-N 3.11Å
292E96Very high95.4Very high28 Ų2845.3 Ų45.313%0.13123%0.227CC..Hα-helixtrans-67.2-42.4177.2-173.8-96.5171.500111.9F285 G288 E289 P290 R296F285-E292 HydrophobicContact CB-CB 4.17Å; F285-E292 HydrophobicContact CB-CG 4.45Å; G288-E292 PolarHBondContact N-OE2 3.04Å; E289-E292 HydrophobicContact CG-CB 3.74Å; E289-E292 WeakPolarHBondContact O-CB 3.42Å; E289-E292 PolarHBondContact O-N 2.86Å; P290-E292 VanDerWaalsContact C-N 3.33Å; P290-E292 PolarHBondContact O-N 3.24Å; E292-R296 VanDerWaalsContact CD-CD 3.46Å; E292-R296 WeakPolarHBondContact O-CG 3.4Å; E292-R296 PolarHBondContact O-N 2.88Å; E292-R296 VanDerWaalsContact O-N 3.12Å; E292-R296 WeakPolarHBondContact OE1-CD 3.44Å; E292-R296 IonicContact OE1-CZ 3.44Å; E292-R296 IonicContact OE1-NE 2.71Å; E292-R296 IonicContact OE1-NH1 3.28Å; E292-R296 PolarHBondContact OE1-NH1 2.82Å; E292-R296 IonicContact OE2-NH1 3.93Å
293V97.1Very high95.5Very high0 Ų037.9 Ų37.90%020%0.197CC..Hα-helixtrans-66.9-47.3-179.7175.80000111.1I25 T211 Y213 V218 F220 E289 P290 M295 R296 A297I25-V293 HydrophobicContact CD1-CG1 3.6Å; I25-V293 HydrophobicContact CG1-CG1 4.25Å; T211-V293 HydrophobicContact CG2-CG2 3.49Å; T211-V293 VanDerWaalsContact CG2-CG2 3.49Å; Y213-V293 HydrophobicContact CD2-CB 4.01Å; Y213-V293 HydrophobicContact CD2-CG1 3.7Å; Y213-V293 HydrophobicContact CE2-CG1 4.42Å; Y213-V293 HydrophobicContact CG-CG1 3.91Å; V218-V293 HydrophobicContact CG2-CG1 4.26Å; F220-V293 HydrophobicContact CE2-CG1 4.32Å; F220-V293 HydrophobicContact CZ-CG1 4.21Å; E289-V293 WeakPolarHBondContact O-CG2 3.07Å; E289-V293 PolarHBondContact O-N 2.66Å; P290-V293 PolarHBondContact O-N 2.97Å; V293-M295 PolarHBondContact O-N 3.44Å; V293-R296 PolarHBondContact O-N 3.37Å; V293-A297 WeakPolarHBondContact O-CB 3.42Å; V293-A297 PolarHBondContact O-N 2.95Å
294E97.6Very high95.5Very high5 Ų536.5 Ų36.52%0.02319%0.188CC..Hα-helixtrans-58.8-47.8176-75.3-170.8-174.200110.9I25 S29 K30 K31 V32 Y213 P290 R296 A297 M298I25-E294 HydrophobicContact CG2-CG 4.43Å; S29-E294 VanDerWaalsContact OG-CD 3.22Å; S29-E294 WeakPolarHBondContact OG-CG 3.38Å; S29-E294 PolarHBondContact OG-OE2 3.34Å; S29-E294 VanDerWaalsContact OG-OE2 3.13Å; K30-E294 PolarHBondContact N-OE1 3.07Å; K31-E294 VanDerWaalsContact CA-OE2 3.31Å; K31-E294 WeakPolarHBondContact CA-OE2 3.22Å; K31-E294 VanDerWaalsContact CB-OE2 3.29Å; K31-E294 WeakPolarHBondContact CB-OE2 3.39Å; K31-E294 PolarHBondContact N-OE2 3.1Å; V32-E294 HydrophobicContact CB-CB 4Å; V32-E294 HydrophobicContact CG2-CB 3.71Å; V32-E294 PolarHBondContact N-OE2 2.93Å; Y213-E294 HydrophobicContact CE2-CG 3.81Å; Y213-E294 WeakPolarHBondContact OH-CG 3.4Å; Y213-E294 PolarHBondContact OH-OE1 3.13Å; P290-E294 WeakPolarHBondContact O-CB 3.35Å; P290-E294 WeakPolarHBondContact O-CG 3.38Å; P290-E294 PolarHBondContact O-N 3.18Å; E294-R296 VanDerWaalsContact C-N 3.3Å; E294-R296 PolarHBondContact O-N 3.31Å; E294-A297 PolarHBondContact O-N 3.16Å; E294-M298 VanDerWaalsContact O-CB 3.22Å; E294-M298 WeakPolarHBondContact O-CB 3.13Å; E294-M298 VanDerWaalsContact O-CG 3.28Å; E294-M298 WeakPolarHBondContact O-CG 3.3Å; E294-M298 PolarHBondContact O-N 2.9Å
295M96.8Very high95.6Very high13 Ų1334 Ų346%0.06417%0.168CC..Hα-helixtrans-58-42.1178.7-79.1-171-77.400112.5V32 V260 I275 M279 F285 D291 V293 S299V32-M295 HydrophobicContact CG2-CG 3.74Å; V260-M295 HydrophobicContact CG1-CB 4.29Å; V260-M295 HydrophobicContact CG1-CG 4.42Å; V260-M295 HydrophobicContact CG1-SD 4.16Å; V260-M295 HydrophobicContact CG2-CB 4.4Å; I275-M295 HydrophobicContact CG2-CE 4.29Å; I275-M295 HydrophobicContact CG2-SD 3.96Å; M279-M295 HydrophobicContact CE-CE 4.22Å; M279-M295 HydrophobicContact CE-SD 3.18Å; M279-M295 WeakPolarHBondContact CE-SD 3.48Å; F285-M295 HydrophobicContact CD1-CE 3.58Å; F285-M295 HydrophobicContact CD2-CE 3.9Å; F285-M295 HydrophobicContact CE1-CE 3.64Å; F285-M295 HydrophobicContact CE2-CE 3.96Å; F285-M295 HydrophobicContact CG-CE 3.73Å; F285-M295 HydrophobicContact CZ-CE 3.83Å; D291-M295 WeakPolarHBondContact O-CB 3.29Å; D291-M295 VanDerWaalsContact O-CE 3.27Å; D291-M295 WeakPolarHBondContact O-CE 3.48Å; D291-M295 VanDerWaalsContact O-CG 3.28Å; D291-M295 WeakPolarHBondContact O-CG 3.4Å; D291-M295 PolarHBondContact O-N 3.38Å; D291-M295 VanDerWaalsContact O-N 3.11Å; V293-M295 PolarHBondContact O-N 3.44Å; M295-S299 WeakPolarHBondContact O-CB 3.44Å; M295-S299 PolarHBondContact O-N 3.34Å
296R95.1Very high95.6Very high46 Ų4633.4 Ų33.417%0.17417%0.165CC..Hα-helixtrans-68.9-47.9180-74.9172.560.3-174.90.8112.5D209 F220 S255 E292 V293 E294 S299 N300D209-R296 IonicContact OD1-CZ 3.16Å; D209-R296 IonicContact OD1-NH1 2.84Å; D209-R296 PolarHBondContact OD1-NH1 3.39Å; D209-R296 IonicContact OD1-NH2 3.6Å; D209-R296 PolarHBondContact OD1-NH2 2.82Å; D209-R296 IonicContact OD2-CZ 3.43Å; D209-R296 IonicContact OD2-NH2 2.76Å; D209-R296 PolarHBondContact OD2-NH2 3.13Å; F220-R296 VanDerWaalsContact CD2-CZ 3.43Å; F220-R296 HydrophobicContact CE1-CB 4.15Å; F220-R296 HydrophobicContact CE2-CB 4.18Å; F220-R296 HydrophobicContact CZ-CB 3.85Å; S255-R296 PolarHBondContact OG-O 3.37Å; E292-R296 VanDerWaalsContact CD-CD 3.46Å; E292-R296 WeakPolarHBondContact O-CG 3.4Å; E292-R296 PolarHBondContact O-N 2.88Å; E292-R296 VanDerWaalsContact O-N 3.12Å; E292-R296 WeakPolarHBondContact OE1-CD 3.44Å; E292-R296 IonicContact OE1-CZ 3.44Å; E292-R296 IonicContact OE1-NE 2.71Å; E292-R296 IonicContact OE1-NH1 3.28Å; E292-R296 PolarHBondContact OE1-NH1 2.82Å; E292-R296 IonicContact OE2-NH1 3.93Å; V293-R296 PolarHBondContact O-N 3.37Å; E294-R296 VanDerWaalsContact C-N 3.3Å; E294-R296 PolarHBondContact O-N 3.31Å; R296-S299 PolarHBondContact O-N 3.13Å; R296-N300 PolarHBondContact O-N 3.31Å
297A96.5Very high95.4Very high0 Ų031.6 Ų31.60%015%0.152CC..Hα-helixtrans-64.5-49.5179.700000111.5I25 F220 V293 E294 S299 N300 Y301I25-A297 HydrophobicContact CB-CB 3.6Å; I25-A297 HydrophobicContact CD1-CB 3.65Å; I25-A297 HydrophobicContact CG1-CB 4.24Å; I25-A297 HydrophobicContact CG2-CB 3.4Å; I25-A297 VanDerWaalsContact CG2-CB 3.4Å; F220-A297 HydrophobicContact CE1-CB 3.8Å; F220-A297 HydrophobicContact CZ-CB 3.95Å; V293-A297 WeakPolarHBondContact O-CB 3.42Å; V293-A297 PolarHBondContact O-N 2.95Å; E294-A297 PolarHBondContact O-N 3.16Å; A297-S299 VanDerWaalsContact C-N 3.3Å; A297-S299 PolarHBondContact O-N 3.18Å; A297-N300 WeakPolarHBondContact O-CA 3.44Å; A297-N300 VanDerWaalsContact O-CB 3.29Å; A297-N300 WeakPolarHBondContact O-CB 3.32Å; A297-N300 PolarHBondContact O-N 2.86Å; A297-Y301 PolarHBondContact O-N 3.07Å
298M97.2Very high95.3Very high7 Ų728 Ų283%0.03415%0.15CC..Hα-helixtrans-66.9-33.3-179.6-66.8-51.6-60.900112A26 V32 F34 L269 E294 N300 Y301 C302A26-M298 VanDerWaalsContact CA-SD 3.55Å; A26-M298 HydrophobicContact CB-SD 3.81Å; V32-M298 HydrophobicContact CB-CB 4.24Å; V32-M298 HydrophobicContact CB-CG 4Å; V32-M298 HydrophobicContact CG1-CB 3.59Å; V32-M298 HydrophobicContact CG1-CG 3.9Å; F34-M298 HydrophobicContact CB-CE 3.75Å; L269-M298 VanDerWaalsContact CD1-C 3.5Å; L269-M298 HydrophobicContact CD1-CB 3.56Å; E294-M298 VanDerWaalsContact O-CB 3.22Å; E294-M298 WeakPolarHBondContact O-CB 3.13Å; E294-M298 VanDerWaalsContact O-CG 3.28Å; E294-M298 WeakPolarHBondContact O-CG 3.3Å; E294-M298 PolarHBondContact O-N 2.9Å; M298-N300 VanDerWaalsContact C-N 3.28Å; M298-N300 PolarHBondContact O-N 3.38Å; M298-Y301 HydrophobicContact CE-CD1 4Å; M298-Y301 HydrophobicContact CE-CG 4.48Å; M298-Y301 PolarHBondContact O-N 3Å; M298-C302 PolarHBondContact O-N 3.46Å; M298-C302 PolarHBondContact O-SG 2.92Å
299S96.3Very high95.1Very high0 Ų027.8 Ų27.80%015%0.147CC..Hα-helixtrans-65.1-32.9170.3176.80000112.3N259 V260 F263 M295 R296 A297 C302 V303N259-S299 VanDerWaalsContact C-OG 3.32Å; N259-S299 WeakPolarHBondContact CB-OG 3.46Å; V260-S299 PolarHBondContact N-OG 3.36Å; F263-S299 WeakPolarHBondContact CE2-O 3.43Å; M295-S299 WeakPolarHBondContact O-CB 3.44Å; M295-S299 PolarHBondContact O-N 3.34Å; R296-S299 PolarHBondContact O-N 3.13Å; A297-S299 VanDerWaalsContact C-N 3.3Å; A297-S299 PolarHBondContact O-N 3.18Å; S299-C302 WeakPolarHBondContact O-CB 2.81Å; S299-V303 WeakPolarHBondContact O-CG2 3.47Å; S299-V303 PolarHBondContact O-N 3.27Å
300N94.9Very high94.8Very high0 Ų026.5 Ų26.50%014%0.142CC..Hα-helixtrans-70.5-46.5174.6-157.5-75.5000111.6V22 I253 S254 S255 R296 A297 M298 C302 V303 E304V22-N300 HydrophobicContact CG1-CB 4.24Å; V22-N300 HydrophobicContact CG2-CB 3.93Å; I253-N300 WeakPolarHBondContact CA-ND2 3.48Å; I253-N300 HydrophobicContact CD1-CB 4.46Å; I253-N300 VanDerWaalsContact CD1-CG 3.45Å; I253-N300 WeakPolarHBondContact CD1-ND2 3.49Å; I253-N300 WeakPolarHBondContact CD1-OD1 3.27Å; I253-N300 WeakPolarHBondContact CG2-ND2 3.45Å; S254-N300 PolarHBondContact N-ND2 2.97Å; S255-N300 PolarHBondContact N-ND2 3.19Å; S255-N300 VanDerWaalsContact OG-CA 3.31Å; S255-N300 WeakPolarHBondContact OG-CA 3.43Å; S255-N300 VanDerWaalsContact OG-CB 3.22Å; S255-N300 WeakPolarHBondContact OG-CB 3.22Å; S255-N300 PolarHBondContact OG-N 3.35Å; S255-N300 PolarHBondContact OG-ND2 3.49Å; R296-N300 PolarHBondContact O-N 3.31Å; A297-N300 WeakPolarHBondContact O-CA 3.44Å; A297-N300 VanDerWaalsContact O-CB 3.29Å; A297-N300 WeakPolarHBondContact O-CB 3.32Å; A297-N300 PolarHBondContact O-N 2.86Å; M298-N300 VanDerWaalsContact C-N 3.28Å; M298-N300 PolarHBondContact O-N 3.38Å; N300-C302 PolarHBondContact O-N 3.23Å; N300-V303 WeakPolarHBondContact O-CA 3.47Å; N300-V303 WeakPolarHBondContact O-CB 3.29Å; N300-V303 PolarHBondContact O-N 3.41Å; N300-E304 PolarHBondContact O-N 3.5Å
301Y95.5Very high94.3Very high50 Ų5028 Ų2820%0.19615%0.146CC..Hα-helixtrans-54.7-40.2173.7-171.5-98.5000111.6A26 F34 A297 M298 E304 R305A26-Y301 HydrophobicContact CB-CD2 3.87Å; A26-Y301 HydrophobicContact CB-CE2 4.13Å; A26-Y301 HydrophobicContact CB-CG 4.2Å; F34-Y301 HydrophobicContact CB-CD1 3.92Å; F34-Y301 HydrophobicContact CB-CE1 4Å; F34-Y301 HydrophobicContact CD1-CD1 4.46Å; F34-Y301 AromaticContact CD1-CE1 3.96Å; F34-Y301 HydrophobicContact CD1-CE1 3.96Å; F34-Y301 HydrophobicContact CG-CD1 4.1Å; F34-Y301 HydrophobicContact CG-CE1 4.05Å; A297-Y301 PolarHBondContact O-N 3.07Å; M298-Y301 HydrophobicContact CE-CD1 4Å; M298-Y301 HydrophobicContact CE-CG 4.48Å; M298-Y301 PolarHBondContact O-N 3Å; Y301-E304 PolarHBondContact O-N 3.48Å; Y301-R305 HydrophobicContact CD1-CG 4.06Å; Y301-R305 HydrophobicContact CE1-CG 3.77Å; Y301-R305 WeakPolarHBondContact O-CG 3.47Å; Y301-R305 PolarHBondContact O-N 3.28Å; Y301-R305 PolarHBondContact OH-NE 3.24Å; Y301-R305 PolarHBondContact OH-NH2 3.07Å
302C95.8Very high94Very high0 Ų033.7 Ų33.70%017%0.172CC..Hα-helixtrans-58.6-46.3171.2-68.10000112F34 F263 M298 S299 N300 E304 R305 F306F34-C302 HydrophobicContact CD2-CB 4.48Å; F263-C302 HydrophobicContact CB-CB 4.39Å; F263-C302 HydrophobicContact CD1-CB 4.03Å; F263-C302 HydrophobicContact CD2-CB 3.5Å; F263-C302 VanDerWaalsContact CD2-CB 3.5Å; F263-C302 HydrophobicContact CE1-CB 4.12Å; F263-C302 HydrophobicContact CE2-CB 3.6Å; F263-C302 HydrophobicContact CG-CB 3.73Å; F263-C302 HydrophobicContact CZ-CB 3.91Å; M298-C302 PolarHBondContact O-N 3.46Å; M298-C302 PolarHBondContact O-SG 2.92Å; S299-C302 WeakPolarHBondContact O-CB 2.81Å; N300-C302 PolarHBondContact O-N 3.23Å; C302-E304 VanDerWaalsContact C-N 3.35Å; C302-E304 PolarHBondContact O-N 2.75Å; C302-R305 PolarHBondContact O-N 2.87Å; C302-F306 WeakPolarHBondContact O-CB 3.29Å; C302-F306 PolarHBondContact O-N 3.45Å
303V93.3Very high93.5Very high29 Ų2935.9 Ų35.918%0.17618%0.179CC..Hα-helixtrans-58.8-46.4176.5-179.90000110.9F263 S299 N300 G307F263-V303 HydrophobicContact CE2-CB 4.45Å; F263-V303 HydrophobicContact CE2-CG2 3.5Å; F263-V303 VanDerWaalsContact CE2-CG2 3.5Å; F263-V303 HydrophobicContact CZ-CB 4.4Å; F263-V303 HydrophobicContact CZ-CG2 3.75Å; S299-V303 WeakPolarHBondContact O-CG2 3.47Å; S299-V303 PolarHBondContact O-N 3.27Å; N300-V303 WeakPolarHBondContact O-CA 3.47Å; N300-V303 WeakPolarHBondContact O-CB 3.29Å; N300-V303 PolarHBondContact O-N 3.41Å; V303-G307 WeakPolarHBondContact O-CA 3.41Å; V303-G307 PolarHBondContact O-N 3.38Å
304E91.8Very high92.5Very high48 Ų4837.3 Ų37.322%0.22419%0.189CC..Hα-helixtrans-62.7-48.8-178.6-66.7-170.4148.100111.6R252 N300 Y301 C302 A308R252-E304 IonicContact CZ-OE1 3.86Å; R252-E304 IonicContact NE-OE1 3.65Å; R252-E304 PolarHBondContact NE-OE1 3.05Å; R252-E304 IonicContact NH2-OE1 2.78Å; R252-E304 PolarHBondContact NH2-OE1 3.4Å; N300-E304 PolarHBondContact O-N 3.5Å; Y301-E304 PolarHBondContact O-N 3.48Å; C302-E304 VanDerWaalsContact C-N 3.35Å; C302-E304 PolarHBondContact O-N 2.75Å; E304-A308 VanDerWaalsContact O-CB 3.24Å; E304-A308 WeakPolarHBondContact O-CB 3.39Å; E304-A308 PolarHBondContact O-N 2.98Å
305R94.6Very high91.2Very high108 Ų10840.4 Ų40.441%0.40821%0.208SC..Hα-helixtrans-66.4-42.7179.5-63.9-54.2-174.5-178.7-0.5112.4F34 Y301 C302 C309F34-R305 HydrophobicContact CE1-CB 4.27Å; F34-R305 HydrophobicContact CE1-CG 4.26Å; F34-R305 HydrophobicContact CE2-CB 4.28Å; F34-R305 HydrophobicContact CZ-CB 3.85Å; F34-R305 HydrophobicContact CZ-CG 4.31Å; Y301-R305 HydrophobicContact CD1-CG 4.06Å; Y301-R305 HydrophobicContact CE1-CG 3.77Å; Y301-R305 WeakPolarHBondContact O-CG 3.47Å; Y301-R305 PolarHBondContact O-N 3.28Å; Y301-R305 PolarHBondContact OH-NE 3.24Å; Y301-R305 PolarHBondContact OH-NH2 3.07Å; C302-R305 PolarHBondContact O-N 2.87Å; R305-C309 PolarHBondContact O-N 2.67Å
306F93.2Very high89.5Confident37 Ų3744 Ų4416%0.16223%0.227CC..Hα-helixtrans-63-51.8176.3173.9-95.8000111.3L39 V42 V43 V46 F263 L268 C302 A308 C309 V310L39-F306 HydrophobicContact CD1-CB 4.37Å; V42-F306 HydrophobicContact CG1-CD2 4.39Å; V42-F306 HydrophobicContact CG1-CE2 4.03Å; V43-F306 HydrophobicContact CB-CE2 4.49Å; V43-F306 HydrophobicContact CG2-CD2 3.72Å; V43-F306 HydrophobicContact CG2-CE2 3.85Å; V46-F306 HydrophobicContact CB-CE2 4.37Å; V46-F306 HydrophobicContact CB-CZ 3.83Å; V46-F306 HydrophobicContact CG1-CZ 3.94Å; V46-F306 HydrophobicContact CG2-CE2 4.11Å; V46-F306 HydrophobicContact CG2-CZ 3.67Å; F263-F306 HydrophobicContact CE1-CB 4.47Å; L268-F306 HydrophobicContact CD1-CD2 4.33Å; C302-F306 WeakPolarHBondContact O-CB 3.29Å; C302-F306 PolarHBondContact O-N 3.45Å; F306-A308 PolarHBondContact O-N 2.95Å; F306-C309 PolarHBondContact O-N 2.68Å; F306-V310 HydrophobicContact CD1-CG2 4.32Å; F306-V310 HydrophobicContact CE1-CG2 3.79Å; F306-V310 HydrophobicContact CE2-CG2 3.99Å; F306-V310 HydrophobicContact CZ-CG2 3.58Å; F306-V310 WeakPolarHBondContact O-CG2 3.49Å; F306-V310 PolarHBondContact O-N 3.15Å
307G90.8Very high87.6Confident21 Ų2144.8 Ų44.822%0.21624%0.243CC..Hα-helixtrans-63.3-41-178.600000112.9V303 C309 V310 N311V303-G307 WeakPolarHBondContact O-CA 3.41Å; V303-G307 PolarHBondContact O-N 3.38Å; G307-C309 VanDerWaalsContact C-N 3.33Å; G307-C309 PolarHBondContact O-N 3.44Å; G307-V310 PolarHBondContact O-N 3.32Å; G307-N311 WeakPolarHBondContact O-CB 3.39Å; G307-N311 PolarHBondContact O-N 3.25Å; G307-N311 PolarHBondContact O-ND2 3.25Å
308A90.8Very high85.3Confident60 Ų6052 Ų5250%0.49628%0.281SS..Hα-helixtrans-58.7-44.6174.500000111.8E304 F306 N311 E312E304-A308 VanDerWaalsContact O-CB 3.24Å; E304-A308 WeakPolarHBondContact O-CB 3.39Å; E304-A308 PolarHBondContact O-N 2.98Å; F306-A308 PolarHBondContact O-N 2.95Å; A308-N311 PolarHBondContact O-N 2.88Å; A308-E312 WeakPolarHBondContact O-CB 3.19Å; A308-E312 PolarHBondContact O-N 3.19Å
309C93.3Very high82.3Confident11 Ų1158.6 Ų58.67%0.07431%0.312CS..Hα-helixtrans-68.8-40.2-179.8-167.10000112.6V43 R305 F306 G307 R313V43-C309 HydrophobicContact CG2-CB 3.88Å; R305-C309 PolarHBondContact O-N 2.67Å; F306-C309 PolarHBondContact O-N 2.68Å; G307-C309 VanDerWaalsContact C-N 3.33Å; G307-C309 PolarHBondContact O-N 3.44Å; C309-R313 WeakPolarHBondContact O-CG 3.43Å; C309-R313 PolarHBondContact O-N 3.08Å
310V90.9Very high79.3Confident12 Ų1267.7 Ų67.77%0.07335%0.346CS..Hα-helixtrans-60.8-50.2173.11710000110.4V43 L47 M50 F306 G307 E312 R313 S314V43-V310 HydrophobicContact CG1-CG2 4.03Å; V43-V310 HydrophobicContact CG2-CG2 4.26Å; L47-V310 HydrophobicContact CD2-CG1 4.13Å; M50-V310 HydrophobicContact SD-CG1 4.31Å; F306-V310 HydrophobicContact CD1-CG2 4.32Å; F306-V310 HydrophobicContact CE1-CG2 3.79Å; F306-V310 HydrophobicContact CE2-CG2 3.99Å; F306-V310 HydrophobicContact CZ-CG2 3.58Å; F306-V310 WeakPolarHBondContact O-CG2 3.49Å; F306-V310 PolarHBondContact O-N 3.15Å; G307-V310 PolarHBondContact O-N 3.32Å; V310-E312 PolarHBondContact O-N 3.33Å; V310-R313 PolarHBondContact O-N 3.19Å; V310-S314 WeakPolarHBondContact O-CB 3.48Å; V310-S314 PolarHBondContact O-N 3.11Å; V310-S314 PolarHBondContact O-OG 3.36Å; V310-S314 VanDerWaalsContact O-OG 3.09Å
311N86.7Confident76.2Confident104 Ų10473.1 Ų73.156%0.55638%0.381SS*.Hα-helixtrans-61.7-44.7-177.8-71.7-20.2000112.1G307 A308 R313 S314 T315G307-N311 WeakPolarHBondContact O-CB 3.39Å; G307-N311 PolarHBondContact O-N 3.25Å; G307-N311 PolarHBondContact O-ND2 3.25Å; A308-N311 PolarHBondContact O-N 2.88Å; N311-R313 VanDerWaalsContact C-N 3.3Å; N311-R313 PolarHBondContact O-N 3.1Å; N311-S314 PolarHBondContact O-N 3.28Å; N311-T315 WeakPolarHBondContact O-CB 3.28Å; N311-T315 PolarHBondContact O-N 3.21Å; N311-T315 PolarHBondContact O-OG1 3.36Å; N311-T315 VanDerWaalsContact O-OG1 3.1Å
312E89.2Confident73.2Confident128 Ų12878.9 Ų78.960%0.59842%0.415SS*.Hα-helixtrans-55.5-45.4176-175.8178.9-170.400111.3A308 V310 I316A308-E312 WeakPolarHBondContact O-CB 3.19Å; A308-E312 PolarHBondContact O-N 3.19Å; V310-E312 PolarHBondContact O-N 3.33Å; E312-I316 HydrophobicContact CG-CD1 4.22Å; E312-I316 WeakPolarHBondContact O-CD1 3.46Å; E312-I316 VanDerWaalsContact O-CG1 3.22Å; E312-I316 WeakPolarHBondContact O-CG1 3.29Å; E312-I316 PolarHBondContact O-N 2.74Å; E312-I316 VanDerWaalsContact O-N 3.16Å
313R85.7Confident70.2Confident74 Ų7483.4 Ų83.428%0.27945%0.452SS..Hα-helixtrans-73.3-37.7179.7-69.7179.6-168.5-155.8-5.7113.7E40 L47 C309 V310 N311 I316 A317E40-R313 IonicContact OE1-CZ 2.82Å; E40-R313 IonicContact OE1-NH2 3.04Å; E40-R313 PolarHBondContact OE1-NH2 2.96Å; E40-R313 IonicContact OE2-CZ 3.84Å; E40-R313 IonicContact OE2-NH1 3.91Å; E40-R313 PolarHBondContact OE2-NH1 3.32Å; E40-R313 IonicContact OE2-NH2 3.9Å; E40-R313 PolarHBondContact OE2-NH2 3.04Å; L47-R313 HydrophobicContact CD1-CB 3.79Å; L47-R313 HydrophobicContact CD1-CG 4.35Å; C309-R313 WeakPolarHBondContact O-CG 3.43Å; C309-R313 PolarHBondContact O-N 3.08Å; V310-R313 PolarHBondContact O-N 3.19Å; N311-R313 VanDerWaalsContact C-N 3.3Å; N311-R313 PolarHBondContact O-N 3.1Å; R313-I316 PolarHBondContact O-N 3.19Å; R313-A317 WeakPolarHBondContact O-CB 3.24Å; R313-A317 PolarHBondContact O-N 3.36Å
314S76.3Confident67Low30 Ų3090.9 Ų90.921%0.2149%0.485CS..Hα-helixtrans-67-37.8176.9-63.70000111.8V310 N311 A317 L318V310-S314 WeakPolarHBondContact O-CB 3.48Å; V310-S314 PolarHBondContact O-N 3.11Å; V310-S314 PolarHBondContact O-OG 3.36Å; V310-S314 VanDerWaalsContact O-OG 3.09Å; N311-S314 PolarHBondContact O-N 3.28Å; S314-A317 PolarHBondContact O-N 2.97Å; S314-L318 WeakPolarHBondContact O-CG 3.15Å; S314-L318 PolarHBondContact O-N 3.39Å; S314-L318 VanDerWaalsContact O-N 3.07Å
315T70.1Confident64.1Low70 Ų70100.1 Ų100.143%0.42954%0.536SS..Hα-helixtrans-64.1-46173.1-61.50000111N311 A317 L318 E319N311-T315 WeakPolarHBondContact O-CB 3.28Å; N311-T315 PolarHBondContact O-N 3.21Å; N311-T315 PolarHBondContact O-OG1 3.36Å; N311-T315 VanDerWaalsContact O-OG1 3.1Å; T315-A317 VanDerWaalsContact C-N 3.26Å; T315-A317 PolarHBondContact O-N 3.47Å; T315-L318 PolarHBondContact O-N 3.18Å; T315-L318 VanDerWaalsContact O-N 3.13Å; T315-E319 HydrophobicContact CG2-CG 4.44Å; T315-E319 WeakPolarHBondContact O-CG 3.5Å; T315-E319 PolarHBondContact O-N 2.79Å
316I62.2Low62.6Low88 Ų8899.8 Ų99.845%0.45154%0.543SS..Hα-helixtrans-59.9-37.1175.8-67.5163.9000111.6E312 R313 E319 R320E312-I316 HydrophobicContact CG-CD1 4.22Å; E312-I316 WeakPolarHBondContact O-CD1 3.46Å; E312-I316 VanDerWaalsContact O-CG1 3.22Å; E312-I316 WeakPolarHBondContact O-CG1 3.29Å; E312-I316 PolarHBondContact O-N 2.74Å; E312-I316 VanDerWaalsContact O-N 3.16Å; R313-I316 PolarHBondContact O-N 3.19Å; I316-E319 PolarHBondContact O-N 2.73Å; I316-R320 PolarHBondContact O-N 3.33Å
317A55.8Low61Low63 Ų63103.1 Ų103.152%0.52156%0.563SS.*Hα-helixtrans-67.9-35.9177.200000112.8R313 S314 T315R313-A317 WeakPolarHBondContact O-CB 3.24Å; R313-A317 PolarHBondContact O-N 3.36Å; S314-A317 PolarHBondContact O-N 2.97Å; T315-A317 VanDerWaalsContact C-N 3.26Å; T315-A317 PolarHBondContact O-N 3.47Å
318L46.2Very low59.3Low152 Ų152107.6 Ų107.680%0.79658%0.582SS**Hα-helixtrans-75.3-26.1176.4-71.9166.9000113.1S314 T315S314-L318 WeakPolarHBondContact O-CG 3.15Å; S314-L318 PolarHBondContact O-N 3.39Å; S314-L318 VanDerWaalsContact O-N 3.07Å; T315-L318 PolarHBondContact O-N 3.18Å; T315-L318 VanDerWaalsContact O-N 3.13Å
319E35.8Very low57.5Low146 Ų146110.4 Ų110.468%0.68259%0.587SS**Hα-helixtrans-87.3-7.5179.4-71.4-179.7175.400114T315 I316 P321T315-E319 HydrophobicContact CG2-CG 4.44Å; T315-E319 WeakPolarHBondContact O-CG 3.5Å; T315-E319 PolarHBondContact O-N 2.79Å; I316-E319 PolarHBondContact O-N 2.73Å; E319-P321 WeakPolarHBondContact O-CD 2.99Å
320R32Very low55.3Low190 Ų190116.6 Ų116.672%0.71762%0.619SS**SBendtrans-66.4123171.3-81.3-177.2175.2-179.6-0.2109.4I316 L322I316-R320 PolarHBondContact O-N 3.33Å; R320-L322 PolarHBondContact O-N 2.83Å
321P29.4Very low52.9Low114 Ų114123.6 Ų123.674%0.7466%0.655SS**  trans-56.9135.7170.2-1325000107.7E319 A323E319-P321 WeakPolarHBondContact O-CD 2.99Å; P321-A323 PolarHBondContact O-N 3.28Å
322L33.5Very low50.5Low172 Ų172125 Ų12590%0.90166%0.662SS**  trans-5399163.2-76.5161.9000106.7R320 Q324R320-L322 PolarHBondContact O-N 2.83Å; L322-Q324 PolarHBondContact O-N 3Å
323A32.6Very low47.5Very low95 Ų95124.8 Ų124.879%0.78567%0.667SS**  trans-62.1111.7172.800000105.7P321 N325P321-A323 PolarHBondContact O-N 3.28Å; A323-N325 PolarHBondContact O-N 3.28Å
324Q25.5Very low44.3Very low186 Ų186129 Ų12987%0.86970%0.7SS**  trans-52.6123176.5-68.5172.5-20.700109.1L322L322-Q324 PolarHBondContact O-N 3Å
325N32.2Very low41.4Very low242 Ų242138 Ų138100%1.29474%0.744SS**  trans-135.60151-91.2-19.3000107.8A323A323-N325 PolarHBondContact O-N 3.28Å

Retrieved 325 of 325 residues in 482.8 ms (Link to these results)

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