A0A2K5P7A6_CERAT Loading...

1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase

Catalyzes the hydrolysis of 1-phosphatidylinositol 4,5-bisphosphate into diacylglycerol (DAG) and inositol 1,4,5-trisphosphate (IP3) and mediates intracellular signaling downstream of G protein-coupled receptors. Regulates the function of the endothelial barrier.

AlphaFold DB , UniProt , Accession A0A2K5P7A6, Species CERAT (Cercocebus atys, Sooty mangabey), Gene PLCB1, Length 1,216 aa.

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

 

Download Structure   PDB   PAE   Table  
Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M35.1Very low45.6Very low178 Ų17888.3 Ų88.388%0.87760%0.601SS**  0100.70-76.7-66.5-88.900109.7L11 E310M1-L11 HydrophobicContact CE-CD2 4.33Å; M1-E310 WeakPolarHBondContact CE-OE1 3.37Å
2A25.3Very low49Very low103 Ų10391.4 Ų91.485%0.85160%0.6SS**  trans-159.5133.4172.600000109.6
3G28.5Very low52.1Low74 Ų7487 Ų8776%0.76357%0.568SS**  trans76.869.1175.100000115.6Q5G3-Q5 PolarHBondContact O-N 3.42Å
4A28.8Very low54.6Low71 Ų7192.4 Ų92.459%0.58758%0.578SS**PPolyproline II helixtrans-68.4126.3159.700000109.2V8A4-V8 HydrophobicContact CB-CB 4.43Å
5Q31.7Very low56.8Low121 Ų12193.2 Ų93.257%0.56558%0.584SS**PPolyproline II helixtrans-80.4159.3175.5-70.1-165.21100111.5G3 G7 V8G3-Q5 PolarHBondContact O-N 3.42Å; Q5-G7 PolarHBondContact O-N 3.04Å; Q5-V8 PolarHBondContact O-N 3.09Å; Q5-V8 VanDerWaalsContact O-N 3.08Å
6P30.6Very low58.7Low132 Ų13290.2 Ų90.286%0.85757%0.565SS**THydrogen-bonded Turntrans-53.2122.2172.9-2534.9000111.3
7G44.5Very low60.3Low76 Ų7691.5 Ų91.578%0.78458%0.577SS**THydrogen-bonded Turntrans108.4-9.4-175.300000115.1Q5Q5-G7 PolarHBondContact O-N 3.04Å
8V56.5Low61.9Low30 Ų3086.6 Ų86.618%0.18255%0.546CS..SBendtrans-99138.6170.1-1760000109.9A4 Q5 A10 L262 Y263A4-V8 HydrophobicContact CB-CB 4.43Å; Q5-V8 PolarHBondContact O-N 3.09Å; Q5-V8 VanDerWaalsContact O-N 3.08Å; V8-A10 PolarHBondContact O-N 3.27Å; V8-L262 HydrophobicContact CG2-CB 4.37Å; V8-L262 HydrophobicContact CG2-CD2 4.32Å; V8-Y263 HydrophobicContact CG1-CE1 4.22Å
9H67.6Low63.3Low57 Ų5783.4 Ų83.426%0.26453%0.526SS..  trans-58.5123.4177.217974.4000111.4L11 D313 L314H9-L11 PolarHBondContact O-N 3.34Å; H9-D313 IonicContact CD2-OD2 2.69Å; H9-D313 IonicContact CE1-OD2 3.29Å; H9-D313 IonicContact NE2-OD2 2.69Å; H9-D313 PolarHBondContact NE2-OD2 3.07Å; H9-L314 PolarHBondContact CE1-O 2.77Å
10A71.3Confident64.5Low69 Ų6983.4 Ų83.457%0.5752%0.522SS*.  trans-81.8109.6176.800000109.9V8 Q12V8-A10 PolarHBondContact O-N 3.27Å; A10-Q12 WeakPolarHBondContact O-CG 3.49Å; A10-Q12 PolarHBondContact O-N 2.84Å
11L81.8Confident65.5Low60 Ų6080.9 Ų80.931%0.31451%0.508SS..  trans-52.8117.3-178.5-175.468.4000112M1 H9 L13 P309 E310 D313M1-L11 HydrophobicContact CE-CD2 4.33Å; H9-L11 PolarHBondContact O-N 3.34Å; L11-L13 HydrophobicContact CD1-CB 4.03Å; L11-L13 HydrophobicContact CD1-CD1 4.39Å; L11-L13 HydrophobicContact CD1-CG 4.24Å; L11-L13 HydrophobicContact CG-CB 4.34Å; L11-P309 HydrophobicContact CD1-CB 3.75Å; L11-P309 HydrophobicContact CD2-CB 3.79Å; L11-P309 HydrophobicContact CG-CB 4.46Å; L11-E310 HydrophobicContact CD1-CG 4.46Å; L11-D313 HydrophobicContact CD1-CB 3.94Å
12Q86.7Confident67.9Low126 Ų12672.4 Ų72.459%0.58947%0.466SS*.  trans-91.8-24.3179.2-52.5-17221.600112.1A10 K14 D313A10-Q12 WeakPolarHBondContact O-CG 3.49Å; A10-Q12 PolarHBondContact O-N 2.84Å; Q12-K14 PolarHBondContact O-N 3.22Å; Q12-D313 PolarHBondContact N-OD2 3.36Å
13L88.6Confident71Confident34 Ų3470.9 Ų70.918%0.17844%0.44CS..PPolyproline II helixtrans-60.3125176.4-60.5-177.9000111.2L11 L141 L142 L312 D313L11-L13 HydrophobicContact CD1-CB 4.03Å; L11-L13 HydrophobicContact CD1-CD1 4.39Å; L11-L13 HydrophobicContact CD1-CG 4.24Å; L11-L13 HydrophobicContact CG-CB 4.34Å; L13-L141 HydrophobicContact CD1-CB 4.17Å; L13-L141 HydrophobicContact CD2-CB 4.34Å; L13-L141 HydrophobicContact CD2-CD1 4.12Å; L13-L141 HydrophobicContact CD2-CG 4.49Å; L13-L142 HydrophobicContact CB-CD1 4.03Å; L13-L142 HydrophobicContact CB-CD2 4.15Å; L13-L142 HydrophobicContact CB-CG 4.02Å; L13-L142 HydrophobicContact CD1-CD2 3.8Å; L13-L142 HydrophobicContact CD1-CG 4.32Å; L13-L312 HydrophobicContact CD1-CB 4.17Å; L13-D313 HydrophobicContact CD1-CB 3.95Å; L13-D313 HydrophobicContact CG-CB 3.84Å
14K87.9Confident73.9Confident163 Ų16373.9 Ų73.971%0.70943%0.432SS*.PPolyproline II helixtrans-100.5140.7178.5-64.2176.7-174.7173.20110.7Q12 N140Q12-K14 PolarHBondContact O-N 3.22Å; K14-N140 PolarHBondContact O-ND2 3.05Å
15P87Confident76.6Confident104 Ų10471.4 Ų71.468%0.67541%0.413SS*.PPolyproline II helixtrans-53.9158.5167.2-25.435000112.1C17P15-C17 PolarHBondContact O-N 2.67Å
16V86.8Confident79.4Confident45 Ų4567.8 Ų67.827%0.27340%0.398SS..PPolyproline II helixtrans-61.6131.2173.91730000109.9V18 Q48 L137 N140 A143V16-V18 HydrophobicContact CG1-CG2 3.99Å; V16-Q48 VanDerWaalsContact CG1-O 3.3Å; V16-Q48 WeakPolarHBondContact CG1-O 3.36Å; V16-L137 HydrophobicContact CG1-CD2 3.52Å; V16-N140 HydrophobicContact CG2-CB 4.37Å; V16-A143 HydrophobicContact CG2-CB 3.67Å
17C86.8Confident82.2Confident113 Ų11368 Ų6876%0.76439%0.385SS*.  trans-133.993.4174.6178.30000108.8P15P15-C17 PolarHBondContact O-N 2.67Å
18V89.4Confident84.5Confident3 Ų364.4 Ų64.42%0.01835%0.348CS..  trans-70135175.2-1740000109.3V16 L22 K23 T45 L137V16-V18 HydrophobicContact CG1-CG2 3.99Å; V18-L22 HydrophobicContact CG1-CB 3.62Å; V18-L22 HydrophobicContact CG1-CD2 4.37Å; V18-K23 HydrophobicContact CG1-CG 4Å; V18-K23 WeakPolarHBondContact O-CE 3.41Å; V18-K23 PolarHBondContact O-NZ 2.84Å; V18-T45 HydrophobicContact CG1-CG2 4.07Å; V18-T45 HydrophobicContact CG2-CG2 4.35Å; V18-L137 HydrophobicContact CG2-CD2 4.05Å
19S88.4Confident86.1Confident25 Ų2564.4 Ų64.418%0.17535%0.348CS..  trans-69.9159.7175.367.30000112.4S21 L22 K23 E133S19-S21 PolarHBondContact O-N 3.47Å; S19-L22 PolarHBondContact O-N 3.22Å; S19-L22 PolarHBondContact OG-N 3.02Å; S19-K23 WeakPolarHBondContact O-CG 3.4Å; S19-K23 PolarHBondContact O-N 3.19Å; S19-K23 VanDerWaalsContact O-N 3.12Å; S19-E133 VanDerWaalsContact CB-OE1 3.27Å; S19-E133 WeakPolarHBondContact CB-OE1 3.35Å; S19-E133 WeakPolarHBondContact CB-OE2 3.44Å; S19-E133 PolarHBondContact OG-OE1 3.02Å; S19-E133 PolarHBondContact OG-OE2 3.47Å
20D86.6Confident87.3Confident84 Ų8463.4 Ų63.445%0.44934%0.343SS..Hα-helixtrans-69.1-20.8173.2-94.731.8000113.2K23 K24D20-K23 IonicContact OD1-NZ 3.41Å; D20-K23 PolarHBondContact OD1-NZ 2.83Å; D20-K24 WeakPolarHBondContact O-CB 3.32Å; D20-K24 WeakPolarHBondContact O-CD 3.43Å; D20-K24 VanDerWaalsContact O-CG 3.31Å; D20-K24 WeakPolarHBondContact O-CG 3.44Å; D20-K24 PolarHBondContact O-N 3.15Å; D20-K24 IonicContact OD2-NZ 3.13Å; D20-K24 PolarHBondContact OD2-NZ 3.41Å
21S85.3Confident88.3Confident31 Ų3160.1 Ų60.122%0.21732%0.316CS..Hα-helixtrans-60.7-55.3169.1-178.40000109.8S19 K23 G25 I26 E129 W130S19-S21 PolarHBondContact O-N 3.47Å; S21-K23 PolarHBondContact O-N 3.18Å; S21-G25 PolarHBondContact O-N 3.06Å; S21-I26 WeakPolarHBondContact OG-CD1 3.49Å; S21-E129 VanDerWaalsContact CB-OE1 3.22Å; S21-E129 WeakPolarHBondContact CB-OE1 3.32Å; S21-E129 PolarHBondContact OG-OE1 3.4Å; S21-W130 PolarHBondContact OG-NE1 3.01Å
22L86.3Confident88.6Confident0 Ų060 Ų600%032%0.315CS..Hα-helixtrans-66.1-34.8-179.6-96.263.8000114V18 S19 R44 T45 F52 W130 E133 L137V18-L22 HydrophobicContact CG1-CB 3.62Å; V18-L22 HydrophobicContact CG1-CD2 4.37Å; S19-L22 PolarHBondContact O-N 3.22Å; S19-L22 PolarHBondContact OG-N 3.02Å; L22-R44 CarbonylContact O-C 3.55Å; L22-R44 WeakPolarHBondContact O-CA 3.46Å; L22-T45 WeakPolarHBondContact CB-OG1 3.32Å; L22-T45 PolarHBondContact O-N 2.97Å; L22-F52 HydrophobicContact CD2-CE1 4.24Å; L22-W130 HydrophobicContact CB-CH2 4.42Å; L22-W130 HydrophobicContact CB-CZ2 4.5Å; L22-W130 HydrophobicContact CD1-CD2 3.64Å; L22-W130 VanDerWaalsContact CD1-CE2 3.41Å; L22-W130 HydrophobicContact CD1-CE3 4.01Å; L22-W130 HydrophobicContact CD1-CG 4.12Å; L22-W130 HydrophobicContact CD1-CH2 4Å; L22-W130 HydrophobicContact CD1-CZ2 3.63Å; L22-W130 HydrophobicContact CD1-CZ3 4.17Å; L22-W130 HydrophobicContact CG-CD2 4.31Å; L22-W130 HydrophobicContact CG-CE3 4.19Å; L22-W130 HydrophobicContact CG-CH2 3.82Å; L22-W130 HydrophobicContact CG-CZ2 3.95Å; L22-W130 HydrophobicContact CG-CZ3 3.93Å; L22-E133 HydrophobicContact CD1-CB 4.36Å; L22-E133 WeakPolarHBondContact CD1-OE2 3.37Å; L22-E133 HydrophobicContact CD2-CB 3.91Å; L22-L137 HydrophobicContact CD2-CD1 3.75Å
23K89.8Confident88.5Confident71 Ų7156.5 Ų56.531%0.30930%0.3SS..Hα-helixtrans-69.3-48.6176.9-67.2167.1-149.4149.70113V18 S19 D20 S21 G25V18-K23 HydrophobicContact CG1-CG 4Å; V18-K23 WeakPolarHBondContact O-CE 3.41Å; V18-K23 PolarHBondContact O-NZ 2.84Å; S19-K23 WeakPolarHBondContact O-CG 3.4Å; S19-K23 PolarHBondContact O-N 3.19Å; S19-K23 VanDerWaalsContact O-N 3.12Å; D20-K23 IonicContact OD1-NZ 3.41Å; D20-K23 PolarHBondContact OD1-NZ 2.83Å; S21-K23 PolarHBondContact O-N 3.18Å; K23-G25 VanDerWaalsContact C-N 3.3Å
24K88.9Confident88.2Confident136 Ų13663 Ų6359%0.59134%0.336SS*.Hα-helixtrans-68.9-36.9-179.6-69.2164.1-169.9151.30110.2D20 R44D20-K24 WeakPolarHBondContact O-CB 3.32Å; D20-K24 WeakPolarHBondContact O-CD 3.43Å; D20-K24 VanDerWaalsContact O-CG 3.31Å; D20-K24 WeakPolarHBondContact O-CG 3.44Å; D20-K24 PolarHBondContact O-N 3.15Å; D20-K24 IonicContact OD2-NZ 3.13Å; D20-K24 PolarHBondContact OD2-NZ 3.41Å; K24-R44 PolarHBondContact O-NE 3.41Å; K24-R44 PolarHBondContact O-NH2 3.02Å
25G87Confident87.9Confident19 Ų1957 Ų5720%0.19631%0.314CS..  trans89.8146175.300000113.1S21 K23 L43S21-G25 PolarHBondContact O-N 3.06Å; K23-G25 VanDerWaalsContact C-N 3.3Å; G25-L43 CarbonylContact C-O 3.51Å; G25-L43 WeakPolarHBondContact CA-O 3.34Å
26I89.4Confident87.5Confident46 Ų4655.9 Ų55.924%0.23631%0.305CS..EExtended strand (participates in β ladder)trans-116150.8-178.8-66.7-165.7000110.1S21 F28 L43 V126 W130S21-I26 WeakPolarHBondContact OG-CD1 3.49Å; I26-F28 HydrophobicContact CB-CE2 3.93Å; I26-F28 HydrophobicContact CB-CZ 4.44Å; I26-F28 HydrophobicContact CG2-CE2 4Å; I26-F28 HydrophobicContact CG2-CZ 4.19Å; I26-F28 WeakPolarHBondContact O-CD2 3.2Å; I26-L43 PolarHBondContact N-O 3.23Å; I26-L43 VanDerWaalsContact N-O 3.14Å; I26-L43 PolarHBondContact O-N 2.98Å; I26-V126 HydrophobicContact CD1-CG1 4.26Å; I26-V126 HydrophobicContact CD1-CG2 4.37Å; I26-V126 HydrophobicContact CG2-CG1 3.88Å; I26-W130 HydrophobicContact CB-CZ2 3.86Å; I26-W130 HydrophobicContact CG1-CZ2 4.01Å
27K90Very high87.3Confident136 Ų13658.7 Ų58.759%0.59132%0.317SS*.EExtended strand (participates in β ladder)trans-75130.3176.1-66.5179.7178.5-178.40110.2I41 I42 F122K27-I41 VanDerWaalsContact CA-O 3.32Å; K27-I41 WeakPolarHBondContact CA-O 3.49Å; K27-I42 HydrophobicContact CG-CG1 4.08Å; K27-F122 HydrophobicContact CB-CD2 4.1Å; K27-F122 HydrophobicContact CB-CE2 3.61Å; K27-F122 VanDerWaalsContact O-CD2 3.31Å; K27-F122 WeakPolarHBondContact O-CD2 3.24Å; K27-F122 WeakPolarHBondContact O-CE2 3.2Å
28F91.4Very high87.3Confident1 Ų155.2 Ų55.20%0.00429%0.293CS..EExtended strand (participates in β ladder)trans-131.1161172.1-68.9-84.7000110I26 P40 I41 L43 I103 L119 V120 A121 V126 W130I26-F28 HydrophobicContact CB-CE2 3.93Å; I26-F28 HydrophobicContact CB-CZ 4.44Å; I26-F28 HydrophobicContact CG2-CE2 4Å; I26-F28 HydrophobicContact CG2-CZ 4.19Å; I26-F28 WeakPolarHBondContact O-CD2 3.2Å; F28-P40 CarbonylContact O-C 3.57Å; F28-P40 WeakPolarHBondContact O-CA 3.26Å; F28-I41 HydrophobicContact CB-CG1 4.13Å; F28-I41 PolarHBondContact N-O 3.08Å; F28-I41 PolarHBondContact O-N 2.88Å; F28-L43 HydrophobicContact CD2-CB 3.7Å; F28-L43 HydrophobicContact CD2-CD2 4.21Å; F28-L43 HydrophobicContact CE2-CB 4.07Å; F28-L43 HydrophobicContact CE2-CD2 4.24Å; F28-I103 HydrophobicContact CD1-CD1 4.38Å; F28-I103 HydrophobicContact CE1-CD1 3.6Å; F28-I103 HydrophobicContact CZ-CD1 4.16Å; F28-L119 HydrophobicContact CB-CB 4.32Å; F28-L119 HydrophobicContact CB-CD2 4.21Å; F28-L119 HydrophobicContact CD1-CB 4.17Å; F28-L119 HydrophobicContact CG-CB 4.45Å; F28-L119 HydrophobicContact CG-CD1 4.46Å; F28-V120 WeakPolarHBondContact CA-O 3.39Å; F28-A121 HydrophobicContact CD1-CB 4.11Å; F28-A121 HydrophobicContact CE1-CB 3.82Å; F28-V126 HydrophobicContact CE1-CG1 4.05Å; F28-V126 HydrophobicContact CZ-CG1 3.87Å; F28-W130 AromaticContact CE2-CD2 3.82Å; F28-W130 HydrophobicContact CE2-CD2 3.82Å; F28-W130 AromaticContact CE2-CE2 3.92Å; F28-W130 AromaticContact CE2-CE3 3.94Å; F28-W130 HydrophobicContact CE2-CE3 3.94Å; F28-W130 HydrophobicContact CE2-CG 4.41Å; F28-W130 HydrophobicContact CE2-CH2 4.25Å; F28-W130 HydrophobicContact CE2-CZ2 4.13Å; F28-W130 HydrophobicContact CE2-CZ3 4.17Å; F28-W130 HydrophobicContact CZ-CB 4.33Å; F28-W130 AromaticContact CZ-CD2 3.63Å; F28-W130 HydrophobicContact CZ-CD2 3.63Å; F28-W130 AromaticContact CZ-CE2 3.96Å; F28-W130 HydrophobicContact CZ-CE3 4.07Å; F28-W130 AromaticContact CZ-CG 3.74Å; F28-W130 HydrophobicContact CZ-CG 3.74Å
29V91.7Very high87.2Confident30 Ų3056.3 Ų56.318%0.18230%0.3CS..EExtended strand (participates in β ladder)trans-104.1111.8166.7-177.40000108.5V38 L90 L119 V120 F122V29-V38 HydrophobicContact CG1-CB 3.73Å; V29-V38 HydrophobicContact CG1-CG1 4.39Å; V29-V38 HydrophobicContact CG1-CG2 4.45Å; V29-L90 HydrophobicContact CB-CD2 4.47Å; V29-L90 HydrophobicContact CG1-CD2 3.78Å; V29-L119 CarbonylContact O-C 3.58Å; V29-L119 WeakPolarHBondContact O-CA 3.3Å; V29-V120 HydrophobicContact CB-CB 4.42Å; V29-V120 PolarHBondContact N-O 3.45Å; V29-V120 PolarHBondContact O-N 2.85Å; V29-F122 HydrophobicContact CG2-CZ 4.45Å
30K92.4Very high87.3Confident36 Ų3660 Ų6016%0.15732%0.323CS..EExtended strand (participates in β ladder)trans-78.6141.8171.9-179.3179.4-176.7-730110D32 T39 I41 L117 L119K30-D32 IonicContact NZ-OD1 2.83Å; K30-D32 PolarHBondContact NZ-OD1 3.22Å; K30-D32 IonicContact NZ-OD2 2.72Å; K30-D32 PolarHBondContact NZ-OD2 2.86Å; K30-T39 PolarHBondContact N-O 3.24Å; K30-T39 PolarHBondContact O-N 3.01Å; K30-I41 HydrophobicContact CB-CD1 4.29Å; K30-I41 HydrophobicContact CB-CG2 4.37Å; K30-L117 HydrophobicContact CD-CD1 3.9Å; K30-L117 HydrophobicContact CG-CD1 4.12Å; K30-L119 HydrophobicContact CB-CD2 4.11Å
31W91.8Very high87.5Confident0 Ų056.3 Ų56.30%030%0.303CS..EExtended strand (participates in β ladder)trans-148160171.265.7-86.2000111.1V38 K79 P81 L86 L90 M102 N118W31-V38 HydrophobicContact CB-CG1 4.34Å; W31-K79 HydrophobicContact CH2-CG 4.44Å; W31-K79 VanDerWaalsContact CZ2-O 3.27Å; W31-K79 WeakPolarHBondContact CZ2-O 3.47Å; W31-P81 HydrophobicContact CH2-CB 4.24Å; W31-P81 HydrophobicContact CZ3-CB 4.22Å; W31-L86 HydrophobicContact CB-CD1 4.24Å; W31-L86 HydrophobicContact CD2-CD2 4.45Å; W31-L86 HydrophobicContact CE3-CD2 3.71Å; W31-L86 HydrophobicContact CZ3-CD2 4.24Å; W31-L90 HydrophobicContact CB-CD1 4.32Å; W31-L90 HydrophobicContact CB-CD2 4.29Å; W31-L90 HydrophobicContact CD2-CD1 4Å; W31-L90 HydrophobicContact CG-CD1 3.73Å; W31-L90 HydrophobicContact CG-CD2 4.2Å; W31-M102 HydrophobicContact CZ2-CE 3.47Å; W31-M102 VanDerWaalsContact CZ2-CE 3.47Å; W31-N118 HydrophobicContact CD2-CB 3.85Å; W31-N118 HydrophobicContact CE3-CB 4.39Å; W31-N118 HydrophobicContact CG-CB 4.31Å; W31-N118 HydrophobicContact CH2-CB 4.12Å; W31-N118 HydrophobicContact CZ2-CB 3.48Å; W31-N118 VanDerWaalsContact CZ2-CB 3.48Å; W31-N118 PolarHBondContact N-O 3.41Å
32D89.5Confident87.7Confident57 Ų5758.4 Ų58.431%0.30531%0.311SS..  trans-136142.5-176.9-51.9-85000108.8K30 D34 S35K30-D32 IonicContact NZ-OD1 2.83Å; K30-D32 PolarHBondContact NZ-OD1 3.22Å; K30-D32 IonicContact NZ-OD2 2.72Å; K30-D32 PolarHBondContact NZ-OD2 2.86Å; D32-D34 VanDerWaalsContact C-N 3.27Å; D32-D34 PolarHBondContact O-N 3.45Å; D32-S35 PolarHBondContact O-N 3.48Å; D32-S35 VanDerWaalsContact O-N 3.14Å; D32-S35 VanDerWaalsContact O-O 3.04Å
33D82.9Confident88Confident52 Ų5258.5 Ų58.528%0.27831%0.311SS..THydrogen-bonded Turntrans-60.9-32.9-172-59.8-114.3000114.1S35 K79D33-S35 VanDerWaalsContact C-N 3.25Å; D33-S35 PolarHBondContact O-N 2.98Å; D33-K79 WeakPolarHBondContact OD1-CE 3.38Å; D33-K79 IonicContact OD1-NZ 3.67Å; D33-K79 PolarHBondContact OD1-NZ 3.25Å; D33-K79 WeakPolarHBondContact OD2-CE 3.48Å; D33-K79 IonicContact OD2-NZ 2.71Å; D33-K79 PolarHBondContact OD2-NZ 3.09Å
34D82.5Confident88.2Confident172 Ų17259.5 Ų59.592%0.9231%0.313SS*.THydrogen-bonded Turntrans-85.68.2-177.7-54.7-59.7000113D32D32-D34 VanDerWaalsContact C-N 3.27Å; D32-D34 PolarHBondContact O-N 3.45Å
35S81.2Confident88.4Confident35 Ų3553 Ų5325%0.24529%0.285CS..  trans-138.4132.2-172.6-177.80000112.7D32 D33 I37D32-S35 PolarHBondContact O-N 3.48Å; D32-S35 VanDerWaalsContact O-N 3.14Å; D32-S35 VanDerWaalsContact O-O 3.04Å; D33-S35 VanDerWaalsContact C-N 3.25Å; D33-S35 PolarHBondContact O-N 2.98Å; S35-I37 PolarHBondContact O-N 3.32Å; S35-I37 WeakPolarHBondContact OG-CB 3.42Å; S35-I37 PolarHBondContact OG-N 3.1Å; S35-I37 VanDerWaalsContact OG-N 3.08Å
36T80Confident88.7Confident82 Ų8252.3 Ų52.350%0.50328%0.277SS..  trans-83.32.2168.6520000113.1L89T36-L89 WeakPolarHBondContact O-CD1 3.49Å
37I81.6Confident88.8Confident103 Ų10354.2 Ų54.253%0.52829%0.292SS..  trans-88.8112.2-179.9-54176000109.7S35S35-I37 PolarHBondContact O-N 3.32Å; S35-I37 WeakPolarHBondContact OG-CB 3.42Å; S35-I37 PolarHBondContact OG-N 3.1Å; S35-I37 VanDerWaalsContact OG-N 3.08Å
38V87.1Confident88.9Confident40 Ų4051 Ų5124%0.24228%0.279CS..  trans-88.9131.9168.9-62.60000110.1V29 W31 L86 L89 L90V29-V38 HydrophobicContact CG1-CB 3.73Å; V29-V38 HydrophobicContact CG1-CG1 4.39Å; V29-V38 HydrophobicContact CG1-CG2 4.45Å; W31-V38 HydrophobicContact CB-CG1 4.34Å; V38-L86 HydrophobicContact CG1-CD1 3.57Å; V38-L89 HydrophobicContact CG1-CB 4.21Å; V38-L89 HydrophobicContact CG2-CB 4.44Å; V38-L90 HydrophobicContact CB-CD2 4.38Å; V38-L90 HydrophobicContact CG1-CD2 3.62Å; V38-L90 HydrophobicContact CG1-CG 3.99Å
39T88.1Confident88.9Confident27 Ų2751.4 Ų51.417%0.16628%0.284CS..EExtended strand (participates in β ladder)trans-119.5118.2-177.6-63.60000111.3K30 I41 Q57K30-T39 PolarHBondContact N-O 3.24Å; K30-T39 PolarHBondContact O-N 3.01Å; T39-I41 HydrophobicContact CG2-CG2 3.99Å; T39-I41 PolarHBondContact O-N 2.99Å; T39-Q57 HydrophobicContact CG2-CG 3.88Å; T39-Q57 PolarHBondContact OG1-NE2 2.7Å
40P89.3Confident89Confident102 Ų10250.5 Ų50.566%0.66228%0.278SS*.EExtended strand (participates in β ladder)trans-73123.3172.130-32.4000110.2F28F28-P40 CarbonylContact O-C 3.57Å; F28-P40 WeakPolarHBondContact O-CA 3.26Å
41I90.6Very high89.2Confident6 Ų648.9 Ų48.93%0.03127%0.271CS..EExtended strand (participates in β ladder)trans-120.5158.9178.664.1167.1000111K27 F28 K30 T39 L43 W54 L119K27-I41 VanDerWaalsContact CA-O 3.32Å; K27-I41 WeakPolarHBondContact CA-O 3.49Å; F28-I41 HydrophobicContact CB-CG1 4.13Å; F28-I41 PolarHBondContact N-O 3.08Å; F28-I41 PolarHBondContact O-N 2.88Å; K30-I41 HydrophobicContact CB-CD1 4.29Å; K30-I41 HydrophobicContact CB-CG2 4.37Å; T39-I41 HydrophobicContact CG2-CG2 3.99Å; T39-I41 PolarHBondContact O-N 2.99Å; I41-L43 HydrophobicContact CD1-CB 4.38Å; I41-L43 HydrophobicContact CD1-CD1 4.46Å; I41-W54 HydrophobicContact CB-CB 4.19Å; I41-W54 HydrophobicContact CB-CG 4.36Å; I41-W54 HydrophobicContact CD1-CB 4.13Å; I41-W54 HydrophobicContact CD1-CD2 4.21Å; I41-W54 HydrophobicContact CD1-CG 3.87Å; I41-W54 HydrophobicContact CG2-CG 4.4Å; I41-L119 HydrophobicContact CD1-CD2 3.82Å
42I91.1Very high89.2Confident75 Ų7548.9 Ų48.939%0.38527%0.271SS..EExtended strand (participates in β ladder)trans-106.3108.5161.6-60.7173.9000106.4K27 R44 W54K27-I42 HydrophobicContact CG-CG1 4.08Å; I42-R44 HydrophobicContact CG2-CG 4.39Å; I42-W54 WeakPolarHBondContact O-CB 3.28Å
43L91.8Very high89.4Confident2 Ų248.4 Ų48.41%0.0127%0.265CS..EExtended strand (participates in β ladder)trans-85.7133.5179.1-170.661000109.4G25 I26 F28 I41 F52 W54 L119 W130G25-L43 CarbonylContact C-O 3.51Å; G25-L43 WeakPolarHBondContact CA-O 3.34Å; I26-L43 PolarHBondContact N-O 3.23Å; I26-L43 VanDerWaalsContact N-O 3.14Å; I26-L43 PolarHBondContact O-N 2.98Å; F28-L43 HydrophobicContact CD2-CB 3.7Å; F28-L43 HydrophobicContact CD2-CD2 4.21Å; F28-L43 HydrophobicContact CE2-CB 4.07Å; F28-L43 HydrophobicContact CE2-CD2 4.24Å; I41-L43 HydrophobicContact CD1-CB 4.38Å; I41-L43 HydrophobicContact CD1-CD1 4.46Å; L43-F52 HydrophobicContact CD1-CB 4Å; L43-F52 HydrophobicContact CD1-CG 4.39Å; L43-W54 HydrophobicContact CD1-CB 4.4Å; L43-W54 HydrophobicContact CD1-CD2 4.14Å; L43-W54 HydrophobicContact CD1-CE3 3.36Å; L43-W54 HydrophobicContact CD1-CZ3 4.01Å; L43-L119 HydrophobicContact CD2-CD1 3.67Å; L43-W130 HydrophobicContact CB-CH2 4.25Å; L43-W130 HydrophobicContact CB-CZ3 4.11Å; L43-W130 HydrophobicContact CD2-CE3 3.94Å; L43-W130 HydrophobicContact CD2-CH2 4.5Å; L43-W130 HydrophobicContact CD2-CZ3 3.57Å; L43-W130 HydrophobicContact CG-CH2 4.23Å; L43-W130 HydrophobicContact CG-CZ3 3.67Å; L43-W130 WeakPolarHBondContact O-CH2 3.32Å
44R93.1Very high89.8Confident92 Ų9246.8 Ų46.835%0.34726%0.255SS..EExtended strand (participates in β ladder)trans-135.2161.9-179.1-77178176.9147.3-0.2111.9L22 K24 I42 F52 Y53L22-R44 CarbonylContact O-C 3.55Å; L22-R44 WeakPolarHBondContact O-CA 3.46Å; K24-R44 PolarHBondContact O-NE 3.41Å; K24-R44 PolarHBondContact O-NH2 3.02Å; I42-R44 HydrophobicContact CG2-CG 4.39Å; R44-F52 CarbonylContact O-C 3.47Å; R44-F52 VanDerWaalsContact O-CA 3.25Å; R44-F52 WeakPolarHBondContact O-CA 3.3Å; R44-Y53 HydrophobicContact CB-CD1 3.83Å; R44-Y53 HydrophobicContact CB-CD2 4.37Å; R44-Y53 HydrophobicContact CB-CE1 3.42Å; R44-Y53 VanDerWaalsContact CB-CE1 3.42Å; R44-Y53 HydrophobicContact CB-CE2 4.04Å; R44-Y53 HydrophobicContact CB-CG 4.29Å; R44-Y53 PolarHBondContact N-O 3.14Å; R44-Y53 PolarHBondContact O-N 3.42Å
45T93.4Very high89.9Confident1 Ų141.8 Ų41.81%0.00623%0.231CC..EExtended strand (participates in β ladder)trans-124.9142.9171.1-37.30000109V18 L22 F51 F52 L66 L137V18-T45 HydrophobicContact CG1-CG2 4.07Å; V18-T45 HydrophobicContact CG2-CG2 4.35Å; L22-T45 WeakPolarHBondContact CB-OG1 3.32Å; L22-T45 PolarHBondContact O-N 2.97Å; T45-F51 WeakPolarHBondContact CA-O 3.48Å; T45-F52 HydrophobicContact CG2-CD1 4.09Å; T45-F52 HydrophobicContact CG2-CE1 4.14Å; T45-F52 WeakPolarHBondContact OG1-CD1 3.4Å; T45-F52 VanDerWaalsContact OG1-CE1 3.24Å; T45-F52 WeakPolarHBondContact OG1-CE1 3.41Å; T45-L66 HydrophobicContact CG2-CD1 3.96Å; T45-L137 HydrophobicContact CG2-CD1 4.33Å
46D93.4Very high89.6Confident4 Ų442.1 Ų42.12%0.02123%0.23CC..  trans-66.6157.4167.461.2-95.9000111.6Q48 G49 F50 F51 T157D46-Q48 PolarHBondContact O-N 3.22Å; D46-Q48 WeakPolarHBondContact OD2-CB 3.35Å; D46-Q48 PolarHBondContact OD2-N 2.87Å; D46-G49 PolarHBondContact O-N 2.87Å; D46-G49 VanDerWaalsContact O-N 3.14Å; D46-G49 PolarHBondContact OD2-N 3.27Å; D46-F50 PolarHBondContact OD1-N 2.85Å; D46-F50 VanDerWaalsContact OD1-N 3.16Å; D46-F50 PolarHBondContact OD2-N 3.36Å; D46-F51 PolarHBondContact OD1-N 2.77Å; D46-T157 HydrophobicContact CB-CG2 3.88Å
47P92.1Very high89.2Confident86 Ų8644.6 Ų44.656%0.55824%0.236SC*.THydrogen-bonded Turntrans-59.9-26.3-177.4-2635.6000115.2
48Q91.1Very high88.9Confident67 Ų6745.8 Ų45.831%0.31324%0.243SC..THydrogen-bonded Turntrans-84.6-16.4-179.1-65.779.7-6.900112.8V16 D46 F50 E153V16-Q48 VanDerWaalsContact CG1-O 3.3Å; V16-Q48 WeakPolarHBondContact CG1-O 3.36Å; D46-Q48 PolarHBondContact O-N 3.22Å; D46-Q48 WeakPolarHBondContact OD2-CB 3.35Å; D46-Q48 PolarHBondContact OD2-N 2.87Å; Q48-F50 HydrophobicContact CB-CD1 4.07Å; Q48-F50 HydrophobicContact CB-CD2 3.8Å; Q48-F50 HydrophobicContact CB-CE1 3.77Å; Q48-F50 HydrophobicContact CB-CE2 3.5Å; Q48-F50 HydrophobicContact CB-CG 4.1Å; Q48-F50 HydrophobicContact CB-CZ 3.5Å; Q48-F50 VanDerWaalsContact CB-CZ 3.5Å; Q48-F50 HydrophobicContact CG-CD2 4.48Å; Q48-F50 HydrophobicContact CG-CE2 3.82Å; Q48-F50 HydrophobicContact CG-CZ 3.9Å; Q48-E153 PolarHBondContact NE2-OE1 2.98Å
49G92.8Very high88.4Confident10 Ų1050.5 Ų50.510%0.10326%0.26CS..SBendtrans78.434.9-179.800000114D46 L66D46-G49 PolarHBondContact O-N 2.87Å; D46-G49 VanDerWaalsContact O-N 3.14Å; D46-G49 PolarHBondContact OD2-N 3.27Å; G49-L66 VanDerWaalsContact O-CD1 3.31Å; G49-L66 WeakPolarHBondContact O-CD1 3.34Å
50F94.3Very high87.9Confident12 Ų1254.9 Ų54.95%0.05328%0.279CS..  trans-86.8-37.8-179.4-60.2-31.6000114.2D46 Q48 L66 M146 E153 K154 T157D46-F50 PolarHBondContact OD1-N 2.85Å; D46-F50 VanDerWaalsContact OD1-N 3.16Å; D46-F50 PolarHBondContact OD2-N 3.36Å; Q48-F50 HydrophobicContact CB-CD1 4.07Å; Q48-F50 HydrophobicContact CB-CD2 3.8Å; Q48-F50 HydrophobicContact CB-CE1 3.77Å; Q48-F50 HydrophobicContact CB-CE2 3.5Å; Q48-F50 HydrophobicContact CB-CG 4.1Å; Q48-F50 HydrophobicContact CB-CZ 3.5Å; Q48-F50 VanDerWaalsContact CB-CZ 3.5Å; Q48-F50 HydrophobicContact CG-CD2 4.48Å; Q48-F50 HydrophobicContact CG-CE2 3.82Å; Q48-F50 HydrophobicContact CG-CZ 3.9Å; F50-L66 PolarHBondContact O-N 2.95Å; F50-L66 VanDerWaalsContact O-N 3.09Å; F50-M146 HydrophobicContact CD1-CE 4.4Å; F50-M146 HydrophobicContact CD1-SD 4.28Å; F50-M146 HydrophobicContact CE1-CE 4.07Å; F50-M146 HydrophobicContact CE1-SD 3.61Å; F50-E153 HydrophobicContact CE2-CB 4.35Å; F50-E153 HydrophobicContact CE2-CG 4.15Å; F50-K154 HydrophobicContact CB-CD 3.99Å; F50-K154 HydrophobicContact CB-CG 3.91Å; F50-K154 HydrophobicContact CD1-CB 4.22Å; F50-K154 HydrophobicContact CD1-CD 4.07Å; F50-K154 HydrophobicContact CD1-CG 4.28Å; F50-K154 HydrophobicContact CD2-CB 3.72Å; F50-K154 HydrophobicContact CD2-CG 3.97Å; F50-K154 HydrophobicContact CE1-CB 4.31Å; F50-K154 HydrophobicContact CE2-CB 3.8Å; F50-K154 HydrophobicContact CG-CB 3.93Å; F50-K154 HydrophobicContact CG-CD 3.99Å; F50-K154 HydrophobicContact CG-CG 3.81Å; F50-K154 HydrophobicContact CZ-CB 4.09Å; F50-T157 HydrophobicContact CD2-CG2 4.31Å
51F95.2Very high87.9Confident1 Ų151.3 Ų51.30%0.00426%0.255CS..EExtended strand (participates in β ladder)trans-141.2145.2-173.3-53.6-82.4000112T45 D46 L63 L64 D65 K154 T157 K158 L161 M785T45-F51 WeakPolarHBondContact CA-O 3.48Å; D46-F51 PolarHBondContact OD1-N 2.77Å; F51-L63 HydrophobicContact CB-CD2 3.58Å; F51-L63 HydrophobicContact CD1-CD2 4.19Å; F51-L63 HydrophobicContact CD2-CD2 4.48Å; F51-L63 HydrophobicContact CG-CD2 3.85Å; F51-L64 CarbonylContact C-O 3.59Å; F51-L64 VanDerWaalsContact CA-O 3.28Å; F51-L64 WeakPolarHBondContact CA-O 3.18Å; F51-D65 HydrophobicContact CD1-CB 4.01Å; F51-D65 HydrophobicContact CE1-CB 3.96Å; F51-D65 WeakPolarHBondContact CE1-OD2 3.42Å; F51-K154 HydrophobicContact CE2-CG 3.77Å; F51-K154 WeakPolarHBondContact CE2-O 3.31Å; F51-K154 HydrophobicContact CZ-CD 4.28Å; F51-K154 HydrophobicContact CZ-CG 3.67Å; F51-T157 HydrophobicContact CD2-CG2 4.34Å; F51-K158 HydrophobicContact CE1-CD 4.21Å; F51-K158 HydrophobicContact CE1-CG 4.39Å; F51-K158 HydrophobicContact CE2-CB 3.88Å; F51-K158 HydrophobicContact CE2-CG 4.5Å; F51-K158 HydrophobicContact CZ-CB 3.74Å; F51-K158 HydrophobicContact CZ-CD 3.97Å; F51-K158 HydrophobicContact CZ-CG 4.02Å; F51-L161 HydrophobicContact CB-CD1 4.48Å; F51-L161 HydrophobicContact CD2-CD1 4.34Å; F51-M785 HydrophobicContact CZ-SD 4.33Å
52F92.9Very high87.8Confident0 Ų055.4 Ų55.40%027%0.274CS..EExtended strand (participates in β ladder)trans-83.5144.9149.5-69.2-37.3000110.2L22 L43 R44 T45 W54 L63 L64 L66 W130 V134L22-F52 HydrophobicContact CD2-CE1 4.24Å; L43-F52 HydrophobicContact CD1-CB 4Å; L43-F52 HydrophobicContact CD1-CG 4.39Å; R44-F52 CarbonylContact O-C 3.47Å; R44-F52 VanDerWaalsContact O-CA 3.25Å; R44-F52 WeakPolarHBondContact O-CA 3.3Å; T45-F52 HydrophobicContact CG2-CD1 4.09Å; T45-F52 HydrophobicContact CG2-CE1 4.14Å; T45-F52 WeakPolarHBondContact OG1-CD1 3.4Å; T45-F52 VanDerWaalsContact OG1-CE1 3.24Å; T45-F52 WeakPolarHBondContact OG1-CE1 3.41Å; F52-W54 HydrophobicContact CB-CZ3 4.38Å; F52-L63 WeakPolarHBondContact O-CA 3.45Å; F52-L64 HydrophobicContact CB-CB 4.39Å; F52-L64 HydrophobicContact CD2-CD2 4.42Å; F52-L64 PolarHBondContact N-O 2.86Å; F52-L64 PolarHBondContact O-N 2.96Å; F52-L66 HydrophobicContact CD1-CD1 4.49Å; F52-L66 HydrophobicContact CD1-CD2 4.17Å; F52-L66 HydrophobicContact CD2-CD2 3.6Å; F52-L66 HydrophobicContact CE1-CD1 4.42Å; F52-L66 HydrophobicContact CE1-CD2 4.05Å; F52-L66 HydrophobicContact CE2-CD2 3.47Å; F52-L66 VanDerWaalsContact CE2-CD2 3.47Å; F52-L66 HydrophobicContact CG-CD2 3.94Å; F52-L66 HydrophobicContact CZ-CD2 3.68Å; F52-W130 HydrophobicContact CE1-CZ3 4.35Å; F52-V134 HydrophobicContact CE2-CB 4.2Å; F52-V134 HydrophobicContact CE2-CG1 3.76Å; F52-V134 HydrophobicContact CE2-CG2 3.65Å; F52-V134 HydrophobicContact CZ-CB 3.98Å; F52-V134 HydrophobicContact CZ-CG1 4.01Å; F52-V134 HydrophobicContact CZ-CG2 3.37Å
53Y93.2Very high87.9Confident48 Ų4853.8 Ų53.819%0.18827%0.266CS..EExtended strand (participates in β ladder)trans-142151173.670.4-77.7000112R44 T61 E62 L161R44-Y53 HydrophobicContact CB-CD1 3.83Å; R44-Y53 HydrophobicContact CB-CD2 4.37Å; R44-Y53 HydrophobicContact CB-CE1 3.42Å; R44-Y53 VanDerWaalsContact CB-CE1 3.42Å; R44-Y53 HydrophobicContact CB-CE2 4.04Å; R44-Y53 HydrophobicContact CB-CG 4.29Å; R44-Y53 PolarHBondContact N-O 3.14Å; R44-Y53 PolarHBondContact O-N 3.42Å; Y53-T61 HydrophobicContact CD2-CG2 4Å; Y53-E62 VanDerWaalsContact CA-O 3.27Å; Y53-E62 WeakPolarHBondContact CA-O 3.4Å; Y53-E62 WeakPolarHBondContact CB-O 3.41Å; Y53-L161 HydrophobicContact CD1-CD1 4.01Å; Y53-L161 HydrophobicContact CD1-CD2 4.06Å; Y53-L161 HydrophobicContact CD2-CD2 3.97Å; Y53-L161 HydrophobicContact CE1-CD1 4.39Å; Y53-L161 HydrophobicContact CE1-CD2 3.87Å; Y53-L161 HydrophobicContact CE2-CD2 3.76Å; Y53-L161 HydrophobicContact CG-CD1 4.3Å; Y53-L161 HydrophobicContact CG-CD2 4.1Å
54W91.8Very high88.1Confident17 Ų1754.1 Ų54.16%0.06427%0.268CS..EExtended strand (participates in β ladder)trans-150.715517459.592.9000109.5I41 I42 L43 F52 T61 E62 L64 L117I41-W54 HydrophobicContact CB-CB 4.19Å; I41-W54 HydrophobicContact CB-CG 4.36Å; I41-W54 HydrophobicContact CD1-CB 4.13Å; I41-W54 HydrophobicContact CD1-CD2 4.21Å; I41-W54 HydrophobicContact CD1-CG 3.87Å; I41-W54 HydrophobicContact CG2-CG 4.4Å; I42-W54 WeakPolarHBondContact O-CB 3.28Å; L43-W54 HydrophobicContact CD1-CB 4.4Å; L43-W54 HydrophobicContact CD1-CD2 4.14Å; L43-W54 HydrophobicContact CD1-CE3 3.36Å; L43-W54 HydrophobicContact CD1-CZ3 4.01Å; F52-W54 HydrophobicContact CB-CZ3 4.38Å; W54-T61 CarbonylContact O-C 3.54Å; W54-T61 WeakPolarHBondContact O-CA 3.36Å; W54-E62 HydrophobicContact CD2-CB 4.17Å; W54-E62 HydrophobicContact CH2-CB 4.46Å; W54-E62 HydrophobicContact CZ2-CB 3.74Å; W54-E62 WeakPolarHBondContact CZ2-OE2 3.3Å; W54-E62 PolarHBondContact N-O 2.89Å; W54-E62 PolarHBondContact NE1-OE2 2.87Å; W54-E62 PolarHBondContact O-N 3.47Å; W54-L64 HydrophobicContact CH2-CB 4.19Å; W54-L64 HydrophobicContact CZ3-CB 4.05Å; W54-L117 HydrophobicContact CH2-CD1 4.33Å; W54-L117 HydrophobicContact CH2-CD2 3.85Å; W54-L117 HydrophobicContact CZ2-CD1 4.32Å; W54-L117 HydrophobicContact CZ3-CD2 3.95Å
55T83.8Confident88.1Confident68 Ų6850.9 Ų50.942%0.41726%0.257SS..EExtended strand (participates in β ladder)trans-96.5134.1175.2-51.80000109.4K59 E60T55-K59 HydrophobicContact CG2-CB 4.45Å; T55-E60 WeakPolarHBondContact CA-O 3.31Å
56D74.3Confident88.1Confident41 Ų4151 Ų5122%0.21926%0.258CS..  trans-87-175-17894.7-45.3000112.7N58 K59 E60D56-N58 VanDerWaalsContact C-N 3.27Å; D56-N58 PolarHBondContact O-N 3.01Å; D56-N58 WeakPolarHBondContact OD1-CA 3.44Å; D56-N58 WeakPolarHBondContact OD1-CB 3.29Å; D56-N58 PolarHBondContact OD1-N 2.6Å; D56-N58 WeakPolarHBondContact OD2-CB 3.26Å; D56-N58 PolarHBondContact OD2-N 3.31Å; D56-N58 VanDerWaalsContact OD2-N 3.11Å; D56-N58 PolarHBondContact OD2-ND2 3.01Å; D56-K59 PolarHBondContact O-N 3.05Å; D56-K59 PolarHBondContact OD1-N 2.95Å; D56-E60 PolarHBondContact N-O 3.09Å; D56-E60 PolarHBondContact OD1-N 3.15Å
57Q73.6Confident88Confident134 Ų13451.9 Ų51.963%0.62627%0.265SS*.THydrogen-bonded Turntrans-67.9-25.6177.8-55.1-169.129.600113T39 K59T39-Q57 HydrophobicContact CG2-CG 3.88Å; T39-Q57 PolarHBondContact OG1-NE2 2.7Å; Q57-K59 VanDerWaalsContact C-N 3.32Å
58N74.3Confident88Confident128 Ų12850.5 Ų50.568%0.68425%0.252SS*.THydrogen-bonded Turntrans-84.3-3.3177.9-57.9-73000113.5D56 E60D56-N58 VanDerWaalsContact C-N 3.27Å; D56-N58 PolarHBondContact O-N 3.01Å; D56-N58 WeakPolarHBondContact OD1-CA 3.44Å; D56-N58 WeakPolarHBondContact OD1-CB 3.29Å; D56-N58 PolarHBondContact OD1-N 2.6Å; D56-N58 WeakPolarHBondContact OD2-CB 3.26Å; D56-N58 PolarHBondContact OD2-N 3.31Å; D56-N58 VanDerWaalsContact OD2-N 3.11Å; D56-N58 PolarHBondContact OD2-ND2 3.01Å; N58-E60 VanDerWaalsContact C-N 3.3Å
59K75.5Confident88.2Confident139 Ų13947.8 Ų47.860%0.60424%0.24SC*.SBendtrans68.716.4-170.2-51.7179.5179.5178.80115.1T55 D56 Q57 P165T55-K59 HydrophobicContact CG2-CB 4.45Å; D56-K59 PolarHBondContact O-N 3.05Å; D56-K59 PolarHBondContact OD1-N 2.95Å; Q57-K59 VanDerWaalsContact C-N 3.32Å; K59-P165 HydrophobicContact CB-CB 4.1Å; K59-P165 HydrophobicContact CB-CG 4.15Å; K59-P165 HydrophobicContact CD-CB 4.19Å
60E79.6Confident88.2Confident119 Ų11948.7 Ų48.756%0.55624%0.241SC*.  trans-80152164.9-62.5-148137.900109.8T55 D56 N58T55-E60 WeakPolarHBondContact CA-O 3.31Å; D56-E60 PolarHBondContact N-O 3.09Å; D56-E60 PolarHBondContact OD1-N 3.15Å; N58-E60 VanDerWaalsContact C-N 3.3Å
61T87.7Confident88.3Confident28 Ų2848.1 Ų48.117%0.17224%0.239CC..EExtended strand (participates in β ladder)trans-102.7111.8179.1-62.30000110.2Y53 W54 L161Y53-T61 HydrophobicContact CD2-CG2 4Å; W54-T61 CarbonylContact O-C 3.54Å; W54-T61 WeakPolarHBondContact O-CA 3.36Å; T61-L161 WeakPolarHBondContact CB-O 3.47Å; T61-L161 WeakPolarHBondContact CG2-O 3.43Å
62E89.9Confident88.3Confident92 Ų9248.3 Ų48.343%0.4324%0.241SC..EExtended strand (participates in β ladder)trans-79.6151.7172.6-62.8-162.5117.200110.6Y53 W54Y53-E62 VanDerWaalsContact CA-O 3.27Å; Y53-E62 WeakPolarHBondContact CA-O 3.4Å; Y53-E62 WeakPolarHBondContact CB-O 3.41Å; W54-E62 HydrophobicContact CD2-CB 4.17Å; W54-E62 HydrophobicContact CH2-CB 4.46Å; W54-E62 HydrophobicContact CZ2-CB 3.74Å; W54-E62 WeakPolarHBondContact CZ2-OE2 3.3Å; W54-E62 PolarHBondContact N-O 2.89Å; W54-E62 PolarHBondContact NE1-OE2 2.87Å; W54-E62 PolarHBondContact O-N 3.47Å
63L93.1Very high88.4Confident41 Ų4149.2 Ų49.222%0.21524%0.244CC..EExtended strand (participates in β ladder)trans-141.6128.2-172.6-84.8154.7000111.3F51 F52 L161 Q162F51-L63 HydrophobicContact CB-CD2 3.58Å; F51-L63 HydrophobicContact CD1-CD2 4.19Å; F51-L63 HydrophobicContact CD2-CD2 4.48Å; F51-L63 HydrophobicContact CG-CD2 3.85Å; F52-L63 WeakPolarHBondContact O-CA 3.45Å; L63-L161 HydrophobicContact CD1-CB 4.11Å; L63-L161 HydrophobicContact CD2-CB 4.04Å; L63-L161 HydrophobicContact CD2-CD1 3.74Å; L63-Q162 HydrophobicContact CD1-CG 3.26Å
64L94.3Very high88.4Confident8 Ų848.5 Ų48.54%0.04225%0.246CC..EExtended strand (participates in β ladder)trans-112.4118.7169.7172.255.9000109.4F51 F52 W54 L66 V69 V105 Y107 L117F51-L64 CarbonylContact C-O 3.59Å; F51-L64 VanDerWaalsContact CA-O 3.28Å; F51-L64 WeakPolarHBondContact CA-O 3.18Å; F52-L64 HydrophobicContact CB-CB 4.39Å; F52-L64 HydrophobicContact CD2-CD2 4.42Å; F52-L64 PolarHBondContact N-O 2.86Å; F52-L64 PolarHBondContact O-N 2.96Å; W54-L64 HydrophobicContact CH2-CB 4.19Å; W54-L64 HydrophobicContact CZ3-CB 4.05Å; L64-L66 PolarHBondContact O-N 2.93Å; L64-V69 HydrophobicContact CD2-CG2 4.1Å; L64-V69 HydrophobicContact CG-CG2 4.27Å; L64-V105 HydrophobicContact CD2-CG1 4.27Å; L64-Y107 HydrophobicContact CD1-CD1 4.12Å; L64-Y107 HydrophobicContact CD1-CD2 3.44Å; L64-Y107 VanDerWaalsContact CD1-CD2 3.44Å; L64-Y107 HydrophobicContact CD1-CE2 3.96Å; L64-Y107 HydrophobicContact CD1-CG 3.53Å; L64-Y107 HydrophobicContact CD2-CD1 4.02Å; L64-Y107 HydrophobicContact CD2-CE1 4.48Å; L64-Y107 HydrophobicContact CD2-CG 4.18Å; L64-L117 HydrophobicContact CD2-CD2 4.12Å
65D94.2Very high88.2Confident24 Ų2448.5 Ų48.513%0.12825%0.251CS..EExtended strand (participates in β ladder)trans-71.8120.5174.9-170.5-49.7000110.6F51 S67 L68 K154F51-D65 HydrophobicContact CD1-CB 4.01Å; F51-D65 HydrophobicContact CE1-CB 3.96Å; F51-D65 WeakPolarHBondContact CE1-OD2 3.42Å; D65-S67 PolarHBondContact O-N 3.07Å; D65-S67 WeakPolarHBondContact OD1-CB 3.45Å; D65-S67 PolarHBondContact OD1-N 3.39Å; D65-S67 PolarHBondContact OD1-OG 2.75Å; D65-L68 HydrophobicContact CB-CD1 4.14Å; D65-L68 HydrophobicContact CB-CG 4.14Å; D65-L68 WeakPolarHBondContact O-CB 3.41Å; D65-L68 PolarHBondContact O-N 3.07Å; D65-K154 IonicContact OD1-NZ 3.97Å; D65-K154 PolarHBondContact OD1-NZ 3.48Å; D65-K154 WeakPolarHBondContact OD2-CE 3.46Å; D65-K154 IonicContact OD2-NZ 3.75Å; D65-K154 PolarHBondContact OD2-NZ 3.42Å
66L93Very high88.3Confident5 Ų555.7 Ų55.73%0.02627%0.271CS..G310 helixtrans-66.8-20.1-174.8-72172.7000113.4T45 G49 F50 F52 L64 L68 V69 L137T45-L66 HydrophobicContact CG2-CD1 3.96Å; G49-L66 VanDerWaalsContact O-CD1 3.31Å; G49-L66 WeakPolarHBondContact O-CD1 3.34Å; F50-L66 PolarHBondContact O-N 2.95Å; F50-L66 VanDerWaalsContact O-N 3.09Å; F52-L66 HydrophobicContact CD1-CD1 4.49Å; F52-L66 HydrophobicContact CD1-CD2 4.17Å; F52-L66 HydrophobicContact CD2-CD2 3.6Å; F52-L66 HydrophobicContact CE1-CD1 4.42Å; F52-L66 HydrophobicContact CE1-CD2 4.05Å; F52-L66 HydrophobicContact CE2-CD2 3.47Å; F52-L66 VanDerWaalsContact CE2-CD2 3.47Å; F52-L66 HydrophobicContact CG-CD2 3.94Å; F52-L66 HydrophobicContact CZ-CD2 3.68Å; L64-L66 PolarHBondContact O-N 2.93Å; L66-L68 PolarHBondContact O-N 3.19Å; L66-V69 HydrophobicContact CD2-CG2 4.1Å; L66-V69 PolarHBondContact O-N 3.41Å; L66-L137 HydrophobicContact CD1-CB 4.42Å; L66-L137 HydrophobicContact CD1-CD1 4.28Å
67S91.4Very high89Confident22 Ų2256.6 Ų56.615%0.15427%0.273CS..G310 helixtrans-76.2-7.1173.268.60000114D65 K154 Q782D65-S67 PolarHBondContact O-N 3.07Å; D65-S67 WeakPolarHBondContact OD1-CB 3.45Å; D65-S67 PolarHBondContact OD1-N 3.39Å; D65-S67 PolarHBondContact OD1-OG 2.75Å; S67-K154 PolarHBondContact OG-NZ 2.89Å; S67-Q782 PolarHBondContact O-NE2 3.49Å
68L93Very high89.9Confident57 Ų5750.8 Ų50.830%0.29825%0.248SC..G310 helixtrans-95.2-12.7170.1-58.6-178.7000113D65 L66 K70 Y107 G108D65-L68 HydrophobicContact CB-CD1 4.14Å; D65-L68 HydrophobicContact CB-CG 4.14Å; D65-L68 WeakPolarHBondContact O-CB 3.41Å; D65-L68 PolarHBondContact O-N 3.07Å; L66-L68 PolarHBondContact O-N 3.19Å; L68-K70 WeakPolarHBondContact O-CE 3.35Å; L68-Y107 CarbonylContact O-C 3.55Å; L68-Y107 VanDerWaalsContact O-CA 3.26Å; L68-Y107 WeakPolarHBondContact O-CA 3.4Å; L68-G108 PolarHBondContact O-N 2.96Å; L68-G108 VanDerWaalsContact O-O 3.09Å
69V94.9Very high90.7Very high10 Ų1047.8 Ų47.86%0.06123%0.229CC..EExtended strand (participates in β ladder)trans-68.7137.1175.3175.90000109.5L64 L66 V105 V134 A138L64-V69 HydrophobicContact CD2-CG2 4.1Å; L64-V69 HydrophobicContact CG-CG2 4.27Å; L66-V69 HydrophobicContact CD2-CG2 4.1Å; L66-V69 PolarHBondContact O-N 3.41Å; V69-V105 HydrophobicContact CB-CG1 4.48Å; V69-V105 HydrophobicContact CG1-CG1 3.77Å; V69-V105 HydrophobicContact CG2-CG1 3.86Å; V69-V134 HydrophobicContact CG1-CG1 4.07Å; V69-A138 HydrophobicContact CB-CB 3.73Å; V69-A138 HydrophobicContact CG1-CB 3.75Å
70K93.1Very high91.2Very high28 Ų2843.3 Ų43.312%0.12222%0.218CC..EExtended strand (participates in β ladder)trans-114.4-37.2-177-50.4-71.2170.8155.60111.8L68 V106 G108 P109 D110 Q351L68-K70 WeakPolarHBondContact O-CE 3.35Å; K70-V106 PolarHBondContact N-O 3.32Å; K70-G108 WeakPolarHBondContact CE-O 3.41Å; K70-G108 PolarHBondContact NZ-O 2.78Å; K70-P109 PolarHBondContact NZ-O 2.94Å; K70-P109 VanDerWaalsContact NZ-O 3.16Å; K70-D110 VanDerWaalsContact CE-O 3.26Å; K70-D110 WeakPolarHBondContact CE-O 3.41Å; K70-D110 PolarHBondContact NZ-O 3.41Å; K70-Q351 VanDerWaalsContact CB-OE1 3.25Å
71D95.8Very high91.7Very high0 Ų038.1 Ų38.10%020%0.195CC..EExtended strand (participates in β ladder)trans-151.2157.7-177.1-156.6-4.8000110.6R73 V106 L354 K401D71-R73 IonicContact OD2-CZ 2.69Å; D71-R73 IonicContact OD2-NE 3.86Å; D71-R73 PolarHBondContact OD2-NE 3.02Å; D71-R73 IonicContact OD2-NH2 2.7Å; D71-R73 PolarHBondContact OD2-NH2 3.5Å; D71-V106 HydrophobicContact CB-CB 4Å; D71-V106 HydrophobicContact CB-CG2 4.15Å; D71-V106 PolarHBondContact N-O 3.3Å; D71-V106 PolarHBondContact O-N 2.95Å; D71-L354 HydrophobicContact CB-CD1 3.66Å; D71-K401 VanDerWaalsContact CG-NZ 3.25Å; D71-K401 IonicContact OD1-NZ 3.67Å; D71-K401 PolarHBondContact OD1-NZ 3.44Å; D71-K401 IonicContact OD2-NZ 2.95Å; D71-K401 PolarHBondContact OD2-NZ 2.77Å
72A95.4Very high91.7Very high6 Ų645.8 Ų45.85%0.0523%0.225CC..EExtended strand (participates in β ladder)trans-136134.4166.100000108.7T131 V134 F135A72-T131 HydrophobicContact CB-CG2 3.93Å; A72-T131 WeakPolarHBondContact O-CG2 3.32Å; A72-V134 HydrophobicContact CB-CB 3.97Å; A72-V134 HydrophobicContact CB-CG1 3.77Å; A72-F135 HydrophobicContact CB-CB 4.39Å
73R95.1Very high91.5Very high19 Ų1944.2 Ų44.27%0.07222%0.22CC..EExtended strand (participates in β ladder)trans-131.7138.3-172.5-53.5-178.7-172.9153.59.8110.5D71 H77 I103 T104 E347 E397D71-R73 IonicContact OD2-CZ 2.69Å; D71-R73 IonicContact OD2-NE 3.86Å; D71-R73 PolarHBondContact OD2-NE 3.02Å; D71-R73 IonicContact OD2-NH2 2.7Å; D71-R73 PolarHBondContact OD2-NH2 3.5Å; R73-H77 HydrophobicContact CB-CB 4.14Å; R73-H77 VanDerWaalsContact CB-O 3.28Å; R73-H77 WeakPolarHBondContact CB-O 3.48Å; R73-H77 WeakPolarHBondContact CD-O 3.48Å; R73-I103 CarbonylContact O-C 3.31Å; R73-I103 VanDerWaalsContact O-CA 3.26Å; R73-I103 WeakPolarHBondContact O-CA 3.48Å; R73-T104 PolarHBondContact N-O 2.88Å; R73-T104 PolarHBondContact O-N 2.96Å; R73-E347 IonicContact CZ-OE1 2.63Å; R73-E347 IonicContact CZ-OE2 2.96Å; R73-E347 IonicContact NH1-OE1 3.19Å; R73-E347 IonicContact NH1-OE2 2.68Å; R73-E347 PolarHBondContact NH1-OE2 3.4Å; R73-E347 IonicContact NH2-OE1 2.87Å; R73-E347 PolarHBondContact NH2-OE1 2.86Å; R73-E347 IonicContact NH2-OE2 3.48Å; R73-E347 PolarHBondContact NH2-OE2 3.48Å; R73-E397 WeakPolarHBondContact CD-OE1 3.2Å; R73-E397 IonicContact NE-OE1 2.8Å; R73-E397 PolarHBondContact NE-OE1 3.37Å
74C92.6Very high91.2Very high32 Ų3247.1 Ų47.122%0.21624%0.241CC..EExtended strand (participates in β ladder)trans-130.4168.1171.960.20000111.9H77 M102 T131C74-H77 PolarHBondContact O-N 3.35Å; C74-M102 VanDerWaalsContact CA-O 3.28Å; C74-M102 WeakPolarHBondContact CA-O 3.39Å; C74-M102 WeakPolarHBondContact CB-O 3.37Å; C74-T131 HydrophobicContact CB-CG2 4.3Å; C74-T131 WeakPolarHBondContact CB-OG1 3.28Å
75G87.9Confident90.9Very high17 Ų1753.3 Ų53.318%0.17527%0.268CS..G310 helixtrans63.1-141.7178.700000112H77 A78 E99G75-H77 PolarHBondContact O-N 3.37Å; G75-A78 WeakPolarHBondContact O-CB 3.4Å; G75-A78 PolarHBondContact O-N 2.89Å; G75-E99 CarbonylContact C-O 3.59Å; G75-E99 WeakPolarHBondContact CA-O 3.48Å
76R86.4Confident90.6Very high220 Ų22052.3 Ų52.383%0.8326%0.262SS*.G310 helixtrans-57.2-13.817873.2-179.7-175.6-179.61.7115.5
77H89.3Confident90.2Very high59 Ų5956.9 Ų56.927%0.27328%0.28SS..G310 helixtrans-97.6-13.6179.2-62.1-78.9000112.8R73 C74 G75 E397R73-H77 HydrophobicContact CB-CB 4.14Å; R73-H77 VanDerWaalsContact CB-O 3.28Å; R73-H77 WeakPolarHBondContact CB-O 3.48Å; R73-H77 WeakPolarHBondContact CD-O 3.48Å; C74-H77 PolarHBondContact O-N 3.35Å; G75-H77 PolarHBondContact O-N 3.37Å; H77-E397 HydrophobicContact CB-CG 4.48Å; H77-E397 IonicContact CE1-OE2 2.62Å; H77-E397 IonicContact CG-OE2 3.21Å; H77-E397 VanDerWaalsContact ND1-CG 3.32Å; H77-E397 WeakPolarHBondContact ND1-CG 3.44Å; H77-E397 IonicContact ND1-OE2 3.64Å; H77-E397 PolarHBondContact ND1-OE2 2.78Å
78A91.2Very high90Very high13 Ų1362.8 Ų62.811%0.10731%0.305CS..SBendtrans-70.2153.6169.200000110.4G75 A80 M102G75-A78 WeakPolarHBondContact O-CB 3.4Å; G75-A78 PolarHBondContact O-N 2.89Å; A78-A80 PolarHBondContact O-N 3.35Å; A78-M102 HydrophobicContact CB-CB 3.63Å
79K90.6Very high89.6Confident65 Ų6563.9 Ų63.928%0.28331%0.31SS..PPolyproline II helixtrans-70.8122.9177-166-178.1-169.2-173.40109.2W31 D33 M102 T104W31-K79 HydrophobicContact CH2-CG 4.44Å; W31-K79 VanDerWaalsContact CZ2-O 3.27Å; W31-K79 WeakPolarHBondContact CZ2-O 3.47Å; D33-K79 WeakPolarHBondContact OD1-CE 3.38Å; D33-K79 IonicContact OD1-NZ 3.67Å; D33-K79 PolarHBondContact OD1-NZ 3.25Å; D33-K79 WeakPolarHBondContact OD2-CE 3.48Å; D33-K79 IonicContact OD2-NZ 2.71Å; D33-K79 PolarHBondContact OD2-NZ 3.09Å; K79-M102 WeakPolarHBondContact O-CE 3.4Å; K79-T104 HydrophobicContact CB-CG2 4.29Å; K79-T104 WeakPolarHBondContact CB-OG1 3.49Å; K79-T104 PolarHBondContact N-OG1 3.04Å
80A87.4Confident89.1Confident44 Ų4463.9 Ų63.936%0.36431%0.31SS..PPolyproline II helixtrans-83.9147.2173.900000111.5A78 K82A78-A80 PolarHBondContact O-N 3.35Å; A80-K82 PolarHBondContact O-N 3.49Å
81P88.7Confident88.5Confident11 Ų1165.2 Ų65.27%0.07132%0.319CS..PPolyproline II helixtrans-66.6132.4174.230.1-36.6000110.3W31 L86 R87 L90W31-P81 HydrophobicContact CH2-CB 4.24Å; W31-P81 HydrophobicContact CZ3-CB 4.22Å; P81-L86 HydrophobicContact CB-CB 4.42Å; P81-L86 HydrophobicContact CB-CD2 4.05Å; P81-L86 HydrophobicContact CB-CG 4.03Å; P81-R87 HydrophobicContact CG-CB 3.86Å; P81-R87 HydrophobicContact CG-CG 4.1Å; P81-L90 HydrophobicContact CB-CD1 4.27Å; P81-L90 HydrophobicContact CG-CD1 4.12Å
82K87.5Confident87.1Confident188 Ų18870.5 Ų70.582%0.81735%0.351SS*.SBendtrans-83-29.9177.8-65.6-174.8179.3-177.10113.4A80A80-K82 PolarHBondContact O-N 3.49Å
83D87.6Confident85.5Confident59 Ų5973 Ų7332%0.31638%0.377SS..SBendtrans-79.5129.1177.6179.8-86.5000111.2K85 L86 R87D83-K85 PolarHBondContact O-N 3.2Å; D83-K85 WeakPolarHBondContact OD1-CA 3.18Å; D83-K85 VanDerWaalsContact OD1-CB 3.24Å; D83-K85 WeakPolarHBondContact OD1-CB 3.31Å; D83-K85 PolarHBondContact OD1-N 3.34Å; D83-L86 HydrophobicContact CB-CB 4.01Å; D83-L86 PolarHBondContact O-N 3.17Å; D83-L86 PolarHBondContact OD1-N 3.3Å; D83-R87 PolarHBondContact O-N 3.23Å
84P86.3Confident83.7Confident102 Ų10279 Ų7966%0.66241%0.41SS*.Hα-helixtrans-63-34.2-179.3-25.735.5000115R87 E88P84-R87 PolarHBondContact O-N 2.92Å; P84-E88 PolarHBondContact O-N 3.27Å
85K86.9Confident82.3Confident139 Ų13981.8 Ų81.860%0.60442%0.422SS*.Hα-helixtrans-73.2-38.3179.5-54.1172.8-178.4171.70110.3D83 R87 E88 L89D83-K85 PolarHBondContact O-N 3.2Å; D83-K85 WeakPolarHBondContact OD1-CA 3.18Å; D83-K85 VanDerWaalsContact OD1-CB 3.24Å; D83-K85 WeakPolarHBondContact OD1-CB 3.31Å; D83-K85 PolarHBondContact OD1-N 3.34Å; K85-R87 VanDerWaalsContact C-N 3.31Å; K85-E88 PolarHBondContact O-N 2.87Å; K85-L89 WeakPolarHBondContact O-CB 3.24Å; K85-L89 VanDerWaalsContact O-CG 3.29Å; K85-L89 WeakPolarHBondContact O-CG 3.5Å; K85-L89 PolarHBondContact O-N 3.45Å
86L87.6Confident81.4Confident2 Ų283.6 Ų83.61%0.0144%0.441CS..Hα-helixtrans-63.2-39.1172.5-176.258.3000111.2W31 V38 P81 D83 L89 L90W31-L86 HydrophobicContact CB-CD1 4.24Å; W31-L86 HydrophobicContact CD2-CD2 4.45Å; W31-L86 HydrophobicContact CE3-CD2 3.71Å; W31-L86 HydrophobicContact CZ3-CD2 4.24Å; V38-L86 HydrophobicContact CG1-CD1 3.57Å; P81-L86 HydrophobicContact CB-CB 4.42Å; P81-L86 HydrophobicContact CB-CD2 4.05Å; P81-L86 HydrophobicContact CB-CG 4.03Å; D83-L86 HydrophobicContact CB-CB 4.01Å; D83-L86 PolarHBondContact O-N 3.17Å; D83-L86 PolarHBondContact OD1-N 3.3Å; L86-L89 PolarHBondContact O-N 3.27Å; L86-L90 HydrophobicContact CD1-CD1 4.21Å; L86-L90 HydrophobicContact CD1-CG 4.41Å; L86-L90 HydrophobicContact CG-CD1 4.11Å; L86-L90 VanDerWaalsContact O-CG 3.25Å; L86-L90 WeakPolarHBondContact O-CG 3.45Å; L86-L90 PolarHBondContact O-N 3.38Å; L86-L90 VanDerWaalsContact O-N 3.12Å
87R86.6Confident81.1Confident102 Ų10281.9 Ų81.939%0.38543%0.434SS..Hα-helixtrans-61.2-45.1172.2-169.4174.4178.3132.27.5111.9P81 D83 P84 K85 L90 D91 L98 E99P81-R87 HydrophobicContact CG-CB 3.86Å; P81-R87 HydrophobicContact CG-CG 4.1Å; D83-R87 PolarHBondContact O-N 3.23Å; P84-R87 PolarHBondContact O-N 2.92Å; K85-R87 VanDerWaalsContact C-N 3.31Å; R87-L90 PolarHBondContact O-N 3.14Å; R87-D91 PolarHBondContact O-N 2.92Å; R87-D91 VanDerWaalsContact O-N 3.14Å; R87-L98 HydrophobicContact CG-CD2 4.13Å; R87-E99 IonicContact CZ-OE1 2.73Å; R87-E99 IonicContact NH1-OE1 2.76Å; R87-E99 IonicContact NH2-OE1 3.74Å; R87-E99 PolarHBondContact NH2-OE1 3.29Å
88E85.2Confident80.9Confident145 Ų14579.3 Ų79.368%0.67842%0.423SS*.Hα-helixtrans-61.1-43.8176.1-172.7177.2-169.600112.3P84 K85 L90 D91P84-E88 PolarHBondContact O-N 3.27Å; K85-E88 PolarHBondContact O-N 2.87Å; E88-L90 VanDerWaalsContact C-N 3.26Å; E88-L90 PolarHBondContact O-N 3.42Å; E88-D91 PolarHBondContact O-N 3.05Å
89L85.6Confident80.6Confident81 Ų8182.7 Ų82.742%0.42444%0.436SS..Hα-helixtrans-65.7-23.6176.6-72.7169.2000114T36 V38 K85 L86 V92T36-L89 WeakPolarHBondContact O-CD1 3.49Å; V38-L89 HydrophobicContact CG1-CB 4.21Å; V38-L89 HydrophobicContact CG2-CB 4.44Å; K85-L89 WeakPolarHBondContact O-CB 3.24Å; K85-L89 VanDerWaalsContact O-CG 3.29Å; K85-L89 WeakPolarHBondContact O-CG 3.5Å; K85-L89 PolarHBondContact O-N 3.45Å; L86-L89 PolarHBondContact O-N 3.27Å; L89-V92 WeakPolarHBondContact O-CG2 3.39Å
90L85.1Confident80.4Confident10 Ų1082.5 Ų82.55%0.05244%0.436CS..Hα-helixtrans-91.1-20.7178.1-69.6170.2000113.5V29 W31 V38 P81 L86 R87 E88 V92 L98 V120V29-L90 HydrophobicContact CB-CD2 4.47Å; V29-L90 HydrophobicContact CG1-CD2 3.78Å; W31-L90 HydrophobicContact CB-CD1 4.32Å; W31-L90 HydrophobicContact CB-CD2 4.29Å; W31-L90 HydrophobicContact CD2-CD1 4Å; W31-L90 HydrophobicContact CG-CD1 3.73Å; W31-L90 HydrophobicContact CG-CD2 4.2Å; V38-L90 HydrophobicContact CB-CD2 4.38Å; V38-L90 HydrophobicContact CG1-CD2 3.62Å; V38-L90 HydrophobicContact CG1-CG 3.99Å; P81-L90 HydrophobicContact CB-CD1 4.27Å; P81-L90 HydrophobicContact CG-CD1 4.12Å; L86-L90 HydrophobicContact CD1-CD1 4.21Å; L86-L90 HydrophobicContact CD1-CG 4.41Å; L86-L90 HydrophobicContact CG-CD1 4.11Å; L86-L90 VanDerWaalsContact O-CG 3.25Å; L86-L90 WeakPolarHBondContact O-CG 3.45Å; L86-L90 PolarHBondContact O-N 3.38Å; L86-L90 VanDerWaalsContact O-N 3.12Å; R87-L90 PolarHBondContact O-N 3.14Å; E88-L90 VanDerWaalsContact C-N 3.26Å; E88-L90 PolarHBondContact O-N 3.42Å; L90-V92 VanDerWaalsContact C-N 3.34Å; L90-L98 HydrophobicContact CB-CD1 4.08Å; L90-L98 HydrophobicContact CB-CD2 3.99Å; L90-L98 WeakPolarHBondContact O-CD1 3.4Å; L90-V120 HydrophobicContact CD1-CG2 4.43Å; L90-V120 HydrophobicContact CD2-CG2 3.95Å
91D80.3Confident80.6Confident56 Ų5681.3 Ų81.330%0.29942%0.422SS..SBendtrans-92.69.5179.4-142.53000113.9R87 E88 G93 N94 L98 R101R87-D91 PolarHBondContact O-N 2.92Å; R87-D91 VanDerWaalsContact O-N 3.14Å; E88-D91 PolarHBondContact O-N 3.05Å; D91-G93 PolarHBondContact O-N 3.31Å; D91-G93 VanDerWaalsContact O-N 3.1Å; D91-N94 PolarHBondContact O-N 3.15Å; D91-N94 VanDerWaalsContact O-N 3.15Å; D91-L98 HydrophobicContact CB-CD2 4.2Å; D91-R101 IonicContact OD1-NH2 3.81Å
92V65.4Low80.8Confident111 Ų11180.9 Ų80.967%0.67342%0.42SS*.THydrogen-bonded Turntrans-55.4116.5-179.31750000111L89 L90L89-V92 WeakPolarHBondContact O-CG2 3.39Å; L90-V92 VanDerWaalsContact C-N 3.34Å
93G61.2Low81.1Confident59 Ų5972 Ų7261%0.60838%0.381SS*.THydrogen-bonded Turntrans110-8.4178.100000115.3D91 I95D91-G93 PolarHBondContact O-N 3.31Å; D91-G93 VanDerWaalsContact O-N 3.1Å; G93-I95 WeakPolarHBondContact O-CG1 3.43Å; G93-I95 PolarHBondContact O-N 3.25Å
94N58Low81.5Confident144 Ų14469.3 Ų69.377%0.7737%0.367SS*.  trans56.433.9177.4-158.312.1000113.3D91 G96D91-N94 PolarHBondContact O-N 3.15Å; D91-N94 VanDerWaalsContact O-N 3.15Å; N94-G96 PolarHBondContact O-N 3.04Å; N94-G96 VanDerWaalsContact O-N 3.09Å
95I63.4Low82Confident90 Ų9064.6 Ų64.646%0.46234%0.336SS..  trans-85.379.5-173.3-50.7-178.2000109.5G93 R101G93-I95 WeakPolarHBondContact O-CG1 3.43Å; G93-I95 PolarHBondContact O-N 3.25Å; I95-R101 PolarHBondContact O-NE 3.1Å
96G69.1Low82.4Confident55 Ų5558 Ų5857%0.56731%0.307SS*.SBendtrans64.8-167-177.200000112.9N94 L98N94-G96 PolarHBondContact O-N 3.04Å; N94-G96 VanDerWaalsContact O-N 3.09Å; G96-L98 PolarHBondContact O-N 3.13Å
97R80.2Confident82.7Confident184 Ų18461.2 Ų61.269%0.69432%0.32SS*.  trans-76.5120.9179.4-58.5-169.1-177.8164.4-3.3110.5E99 Q100R97-E99 VanDerWaalsContact C-N 3.25Å; R97-E99 PolarHBondContact O-N 3.49Å; R97-Q100 HydrophobicContact CB-CG 4.36Å; R97-Q100 VanDerWaalsContact CD-OE1 3.28Å; R97-Q100 PolarHBondContact O-N 3.38Å
98L85.1Confident83Confident6 Ų656.4 Ų56.43%0.03130%0.302CS..G310 helixtrans-44.8-50175.8176.957.3000112.9R87 L90 D91 G96 Q100 R101 M102 V120R87-L98 HydrophobicContact CG-CD2 4.13Å; L90-L98 HydrophobicContact CB-CD1 4.08Å; L90-L98 HydrophobicContact CB-CD2 3.99Å; L90-L98 WeakPolarHBondContact O-CD1 3.4Å; D91-L98 HydrophobicContact CB-CD2 4.2Å; G96-L98 PolarHBondContact O-N 3.13Å; L98-Q100 PolarHBondContact O-N 3.06Å; L98-R101 WeakPolarHBondContact O-CA 3.46Å; L98-R101 WeakPolarHBondContact O-CB 3.45Å; L98-R101 PolarHBondContact O-N 3.34Å; L98-M102 HydrophobicContact CG-CG 4.41Å; L98-M102 HydrophobicContact CG-SD 4.4Å; L98-M102 VanDerWaalsContact O-CG 3.28Å; L98-M102 WeakPolarHBondContact O-CG 3.41Å; L98-M102 PolarHBondContact O-N 2.93Å; L98-V120 HydrophobicContact CD1-CG1 3.69Å; L98-V120 HydrophobicContact CD1-CG2 4.2Å
99E84.9Confident82.9Confident84 Ų8453 Ų5339%0.39329%0.293SS..G310 helixtrans-53-38-177.7-69.6160.5-162.400112.8G75 R87 R97 R101 M102G75-E99 CarbonylContact C-O 3.59Å; G75-E99 WeakPolarHBondContact CA-O 3.48Å; R87-E99 IonicContact CZ-OE1 2.73Å; R87-E99 IonicContact NH1-OE1 2.76Å; R87-E99 IonicContact NH2-OE1 3.74Å; R87-E99 PolarHBondContact NH2-OE1 3.29Å; R97-E99 VanDerWaalsContact C-N 3.25Å; R97-E99 PolarHBondContact O-N 3.49Å; E99-R101 VanDerWaalsContact C-N 3.28Å; E99-R101 PolarHBondContact O-N 3.17Å; E99-M102 PolarHBondContact O-N 3.1Å
100Q87.3Confident82.8Confident61 Ų6150.4 Ų50.429%0.28528%0.279SS..G310 helixtrans-73-19178.8-71.2175.5-96.800113.4R97 L98 E124R97-Q100 HydrophobicContact CB-CG 4.36Å; R97-Q100 VanDerWaalsContact CD-OE1 3.28Å; R97-Q100 PolarHBondContact O-N 3.38Å; L98-Q100 PolarHBondContact O-N 3.06Å; Q100-E124 HydrophobicContact CB-CB 4.43Å; Q100-E124 HydrophobicContact CB-CG 4.04Å; Q100-E124 PolarHBondContact NE2-OE1 2.9Å; Q100-E124 PolarHBondContact NE2-OE2 3.18Å
101R90.6Very high82.9Confident18 Ų1850.5 Ų50.57%0.06828%0.28CS..G310 helixtrans-94.8-2.8175.7-63.1-171.8-73.6103.6-1113.5D91 I95 L98 E99 V120 A121D91-R101 IonicContact OD1-NH2 3.81Å; I95-R101 PolarHBondContact O-NE 3.1Å; L98-R101 WeakPolarHBondContact O-CA 3.46Å; L98-R101 WeakPolarHBondContact O-CB 3.45Å; L98-R101 PolarHBondContact O-N 3.34Å; E99-R101 VanDerWaalsContact C-N 3.28Å; E99-R101 PolarHBondContact O-N 3.17Å; R101-V120 HydrophobicContact CB-CG1 4.22Å; R101-V120 VanDerWaalsContact NH1-CG1 3.31Å; R101-A121 HydrophobicContact CB-CB 4.47Å; R101-A121 WeakPolarHBondContact CB-O 3.49Å; R101-A121 WeakPolarHBondContact CD-O 3.5Å; R101-A121 PolarHBondContact NH1-O 3.12Å; R101-A121 WeakPolarHBondContact O-CB 3.46Å; R101-A121 PolarHBondContact O-N 3.45Å
102M92.3Very high83.2Confident3 Ų350.1 Ų50.12%0.01528%0.28CS..EExtended strand (participates in β ladder)trans-79.9143.1-178.4-58.4-162.874.100112.2W31 C74 A78 K79 L98 E99 V120W31-M102 HydrophobicContact CZ2-CE 3.47Å; W31-M102 VanDerWaalsContact CZ2-CE 3.47Å; C74-M102 VanDerWaalsContact CA-O 3.28Å; C74-M102 WeakPolarHBondContact CA-O 3.39Å; C74-M102 WeakPolarHBondContact CB-O 3.37Å; A78-M102 HydrophobicContact CB-CB 3.63Å; K79-M102 WeakPolarHBondContact O-CE 3.4Å; L98-M102 HydrophobicContact CG-CG 4.41Å; L98-M102 HydrophobicContact CG-SD 4.4Å; L98-M102 VanDerWaalsContact O-CG 3.28Å; L98-M102 WeakPolarHBondContact O-CG 3.41Å; L98-M102 PolarHBondContact O-N 2.93Å; E99-M102 PolarHBondContact O-N 3.1Å; M102-V120 HydrophobicContact CE-CG2 4.2Å; M102-V120 HydrophobicContact CG-CG2 4.29Å
103I94.5Very high84.4Confident2 Ų249.7 Ų49.71%0.0127%0.273CS..EExtended strand (participates in β ladder)trans-126.7138.3166.1-47.8175.8000108.8F28 R73 V105 L119 A127 W130F28-I103 HydrophobicContact CD1-CD1 4.38Å; F28-I103 HydrophobicContact CE1-CD1 3.6Å; F28-I103 HydrophobicContact CZ-CD1 4.16Å; R73-I103 CarbonylContact O-C 3.31Å; R73-I103 VanDerWaalsContact O-CA 3.26Å; R73-I103 WeakPolarHBondContact O-CA 3.48Å; I103-V105 HydrophobicContact CG2-CG2 4.14Å; I103-L119 HydrophobicContact CB-CB 4.29Å; I103-L119 PolarHBondContact N-O 3.31Å; I103-L119 PolarHBondContact O-N 3.33Å; I103-A127 HydrophobicContact CD1-CB 4.42Å; I103-A127 HydrophobicContact CG1-CB 3.97Å; I103-W130 HydrophobicContact CD1-CB 3.92Å
104T95.7Very high85.8Confident2 Ų248.8 Ų48.81%0.01225%0.254CS..EExtended strand (participates in β ladder)trans-122.1116.3163.4-64.70000108.9R73 K79 V106 H116 N118R73-T104 PolarHBondContact N-O 2.88Å; R73-T104 PolarHBondContact O-N 2.96Å; K79-T104 HydrophobicContact CB-CG2 4.29Å; K79-T104 WeakPolarHBondContact CB-OG1 3.49Å; K79-T104 PolarHBondContact N-OG1 3.04Å; T104-V106 HydrophobicContact CG2-CG2 4.12Å; T104-H116 HydrophobicContact CG2-CB 4.25Å; T104-N118 WeakPolarHBondContact CG2-OD1 3.49Å; T104-N118 PolarHBondContact OG1-OD1 3.2Å
105V96.2Very high87.5Confident2 Ų244.5 Ų44.51%0.01224%0.235CC..EExtended strand (participates in β ladder)trans-93118.7169.4-177.60000108.1L64 V69 I103 L117 V134L64-V105 HydrophobicContact CD2-CG1 4.27Å; V69-V105 HydrophobicContact CB-CG1 4.48Å; V69-V105 HydrophobicContact CG1-CG1 3.77Å; V69-V105 HydrophobicContact CG2-CG1 3.86Å; I103-V105 HydrophobicContact CG2-CG2 4.14Å; V105-L117 HydrophobicContact CB-CB 4.32Å; V105-L117 PolarHBondContact N-O 3.38Å; V105-L117 PolarHBondContact O-N 2.87Å; V105-V134 HydrophobicContact CG1-CG1 4.06Å; V105-V134 HydrophobicContact CG2-CG1 4.16Å; V105-V134 HydrophobicContact CG2-CG2 4.48Å
106V96Very high89Confident0 Ų042.9 Ų42.90%023%0.226CC..EExtended strand (participates in β ladder)trans-95.7124.3178.6-171.90000108.4K70 D71 T104 I114K70-V106 PolarHBondContact N-O 3.32Å; D71-V106 HydrophobicContact CB-CB 4Å; D71-V106 HydrophobicContact CB-CG2 4.15Å; D71-V106 PolarHBondContact N-O 3.3Å; D71-V106 PolarHBondContact O-N 2.95Å; T104-V106 HydrophobicContact CG2-CG2 4.12Å; V106-I114 HydrophobicContact CG1-CB 4.13Å; V106-I114 HydrophobicContact CG1-CD1 3.94Å; V106-I114 HydrophobicContact CG1-CG2 4.39Å
107Y95.1Very high90.2Very high70 Ų7040.5 Ų40.528%0.27520%0.2SC..EExtended strand (participates in β ladder)trans-142162-175.970.7-86.9000112.3L64 L68 I114 S115 L117L64-Y107 HydrophobicContact CD1-CD1 4.12Å; L64-Y107 HydrophobicContact CD1-CD2 3.44Å; L64-Y107 VanDerWaalsContact CD1-CD2 3.44Å; L64-Y107 HydrophobicContact CD1-CE2 3.96Å; L64-Y107 HydrophobicContact CD1-CG 3.53Å; L64-Y107 HydrophobicContact CD2-CD1 4.02Å; L64-Y107 HydrophobicContact CD2-CE1 4.48Å; L64-Y107 HydrophobicContact CD2-CG 4.18Å; L68-Y107 CarbonylContact O-C 3.55Å; L68-Y107 VanDerWaalsContact O-CA 3.26Å; L68-Y107 WeakPolarHBondContact O-CA 3.4Å; Y107-I114 CarbonylContact O-C 3.49Å; Y107-S115 VanDerWaalsContact CZ-CB 3.49Å; Y107-S115 PolarHBondContact N-O 3.08Å; Y107-S115 PolarHBondContact O-N 3.07Å; Y107-L117 HydrophobicContact CD1-CB 4.42Å; Y107-L117 HydrophobicContact CE1-CB 4.01Å
108G91.3Very high90.9Very high2 Ų231.8 Ų31.82%0.02117%0.167CC..  trans164.2174.817000000112.6L68 K70 D110L68-G108 PolarHBondContact O-N 2.96Å; L68-G108 VanDerWaalsContact O-O 3.09Å; K70-G108 WeakPolarHBondContact CE-O 3.41Å; K70-G108 PolarHBondContact NZ-O 2.78Å; G108-D110 PolarHBondContact O-N 2.97Å
109P84.1Confident91.2Very high74 Ų7431.6 Ų31.648%0.48117%0.166SC..SBendtrans-63.2-31159.129.6-32.9000110.4K70 Q782K70-P109 PolarHBondContact NZ-O 2.94Å; K70-P109 VanDerWaalsContact NZ-O 3.16Å; P109-Q782 PolarHBondContact O-OE1 2.97Å
110D83.4Confident91.6Very high26 Ų2627.7 Ų27.714%0.13915%0.148CC..  trans-75.2-173.5-153.4150.815000116.2K70 G108 V112 N113 R780K70-D110 VanDerWaalsContact CE-O 3.26Å; K70-D110 WeakPolarHBondContact CE-O 3.41Å; K70-D110 PolarHBondContact NZ-O 3.41Å; G108-D110 PolarHBondContact O-N 2.97Å; D110-V112 WeakPolarHBondContact OD1-CA 3.36Å; D110-V112 PolarHBondContact OD1-N 3.35Å; D110-N113 WeakPolarHBondContact CA-O 3.22Å; D110-N113 HydrophobicContact CB-CB 4.07Å; D110-N113 VanDerWaalsContact CG-ND2 3.34Å; D110-N113 PolarHBondContact N-O 2.59Å; D110-N113 PolarHBondContact OD1-N 3.15Å; D110-N113 PolarHBondContact OD2-ND2 2.87Å; D110-R780 VanDerWaalsContact CG-CZ 3.46Å; D110-R780 IonicContact OD1-CZ 2.79Å; D110-R780 IonicContact OD1-NH2 3.71Å; D110-R780 PolarHBondContact OD1-NH2 3.15Å; D110-R780 IonicContact OD2-CZ 2.8Å; D110-R780 IonicContact OD2-NE 3.82Å; D110-R780 IonicContact OD2-NH2 3.69Å; D110-R780 PolarHBondContact OD2-NH2 3.15Å
111L86Confident91.8Very high11 Ų1124.9 Ų24.96%0.05814%0.135CC..SBendtrans-115.2-23.1134.8-62.7175.7000110.6Q351 F626L111-Q351 HydrophobicContact CB-CB 4.26Å; L111-Q351 HydrophobicContact CD2-CB 4.14Å; L111-F626 HydrophobicContact CD1-CD1 4.25Å
112V87.8Confident91.6Very high49 Ų4929.1 Ų29.130%0.29715%0.154SC..SBendtrans-97.2-46.3174.4177.80000110D110 I114 T336 M348 Q627D110-V112 WeakPolarHBondContact OD1-CA 3.36Å; D110-V112 PolarHBondContact OD1-N 3.35Å; V112-I114 PolarHBondContact O-N 3.38Å; V112-T336 HydrophobicContact CG1-CG2 4.48Å; V112-T336 HydrophobicContact CG2-CG2 4.49Å; V112-M348 HydrophobicContact CG2-CE 3.91Å; V112-M348 HydrophobicContact CG2-SD 3.99Å; V112-Q627 HydrophobicContact CG2-CB 4.36Å
113N89.5Confident91.4Very high102 Ų10234.7 Ų34.755%0.54518%0.18SC..SBendtrans-81.778.8177.8-64.1-65.3000110.8D110D110-N113 WeakPolarHBondContact CA-O 3.22Å; D110-N113 HydrophobicContact CB-CB 4.07Å; D110-N113 VanDerWaalsContact CG-ND2 3.34Å; D110-N113 PolarHBondContact N-O 2.59Å; D110-N113 PolarHBondContact OD1-N 3.15Å; D110-N113 PolarHBondContact OD2-ND2 2.87Å
114I92.1Very high91.1Very high39 Ų3936.8 Ų36.820%0.219%0.19CC..  trans-107.3161.8178.463167.5000112.5V106 Y107 V112 E347V106-I114 HydrophobicContact CG1-CB 4.13Å; V106-I114 HydrophobicContact CG1-CD1 3.94Å; V106-I114 HydrophobicContact CG1-CG2 4.39Å; Y107-I114 CarbonylContact O-C 3.49Å; V112-I114 PolarHBondContact O-N 3.38Å; I114-E347 HydrophobicContact CD1-CG 3.58Å
115S93.9Very high90.8Very high54 Ų5442.3 Ų42.338%0.37822%0.216SC..EExtended strand (participates in β ladder)trans-139.3159.7176.2-66.40000109.5Y107Y107-S115 VanDerWaalsContact CZ-CB 3.49Å; Y107-S115 PolarHBondContact N-O 3.08Å; Y107-S115 PolarHBondContact O-N 3.07Å
116H94Very high90.5Very high57 Ų5742.9 Ų42.926%0.26422%0.219SC..EExtended strand (participates in β ladder)trans-127.2123.3-171.3-5982.5000109.5T104T104-H116 HydrophobicContact CG2-CB 4.25Å
117L94Very high90.3Very high4 Ų442.9 Ų42.92%0.02122%0.219CC..EExtended strand (participates in β ladder)trans-97.8101.2164.9174.462000107K30 W54 L64 V105 Y107 L119K30-L117 HydrophobicContact CD-CD1 3.9Å; K30-L117 HydrophobicContact CG-CD1 4.12Å; W54-L117 HydrophobicContact CH2-CD1 4.33Å; W54-L117 HydrophobicContact CH2-CD2 3.85Å; W54-L117 HydrophobicContact CZ2-CD1 4.32Å; W54-L117 HydrophobicContact CZ3-CD2 3.95Å; L64-L117 HydrophobicContact CD2-CD2 4.12Å; V105-L117 HydrophobicContact CB-CB 4.32Å; V105-L117 PolarHBondContact N-O 3.38Å; V105-L117 PolarHBondContact O-N 2.87Å; Y107-L117 HydrophobicContact CD1-CB 4.42Å; Y107-L117 HydrophobicContact CE1-CB 4.01Å; L117-L119 HydrophobicContact CD1-CD2 4.01Å; L117-L119 HydrophobicContact CD2-CD1 4.42Å; L117-L119 HydrophobicContact CG-CD1 4.34Å; L117-L119 HydrophobicContact CG-CD2 4.12Å; L117-L119 HydrophobicContact CG-CG 4.13Å
118N94.3Very high90.1Very high1 Ų144 Ų441%0.00523%0.226CC..EExtended strand (participates in β ladder)trans-91.7132.1178-45.9-62.3000110.3W31 T104W31-N118 HydrophobicContact CD2-CB 3.85Å; W31-N118 HydrophobicContact CE3-CB 4.39Å; W31-N118 HydrophobicContact CG-CB 4.31Å; W31-N118 HydrophobicContact CH2-CB 4.12Å; W31-N118 HydrophobicContact CZ2-CB 3.48Å; W31-N118 VanDerWaalsContact CZ2-CB 3.48Å; W31-N118 PolarHBondContact N-O 3.41Å; T104-N118 WeakPolarHBondContact CG2-OD1 3.49Å; T104-N118 PolarHBondContact OG1-OD1 3.2Å
119L93Very high90.1Very high2 Ų247.5 Ų47.51%0.0124%0.241CC..EExtended strand (participates in β ladder)trans-134.9152.2-175.2-56.7171.3000109.8F28 V29 K30 I41 L43 I103 L117F28-L119 HydrophobicContact CB-CB 4.32Å; F28-L119 HydrophobicContact CB-CD2 4.21Å; F28-L119 HydrophobicContact CD1-CB 4.17Å; F28-L119 HydrophobicContact CG-CB 4.45Å; F28-L119 HydrophobicContact CG-CD1 4.46Å; V29-L119 CarbonylContact O-C 3.58Å; V29-L119 WeakPolarHBondContact O-CA 3.3Å; K30-L119 HydrophobicContact CB-CD2 4.11Å; I41-L119 HydrophobicContact CD1-CD2 3.82Å; L43-L119 HydrophobicContact CD2-CD1 3.67Å; I103-L119 HydrophobicContact CB-CB 4.29Å; I103-L119 PolarHBondContact N-O 3.31Å; I103-L119 PolarHBondContact O-N 3.33Å; L117-L119 HydrophobicContact CD1-CD2 4.01Å; L117-L119 HydrophobicContact CD2-CD1 4.42Å; L117-L119 HydrophobicContact CG-CD1 4.34Å; L117-L119 HydrophobicContact CG-CD2 4.12Å; L117-L119 HydrophobicContact CG-CG 4.13Å
120V92.5Very high90.4Very high3 Ų344 Ų442%0.01822%0.219CC..EExtended strand (participates in β ladder)trans-124.4127.2167.6-179.50000109.2F28 V29 L90 L98 R101 M102F28-V120 WeakPolarHBondContact CA-O 3.39Å; V29-V120 HydrophobicContact CB-CB 4.42Å; V29-V120 PolarHBondContact N-O 3.45Å; V29-V120 PolarHBondContact O-N 2.85Å; L90-V120 HydrophobicContact CD1-CG2 4.43Å; L90-V120 HydrophobicContact CD2-CG2 3.95Å; L98-V120 HydrophobicContact CD1-CG1 3.69Å; L98-V120 HydrophobicContact CD1-CG2 4.2Å; R101-V120 HydrophobicContact CB-CG1 4.22Å; R101-V120 VanDerWaalsContact NH1-CG1 3.31Å; M102-V120 HydrophobicContact CE-CG2 4.2Å; M102-V120 HydrophobicContact CG-CG2 4.29Å
121A91.2Very high90.9Very high1 Ų143.2 Ų43.21%0.00821%0.214CC..  trans-83.2163.6175.800000111.7F28 R101 Q123 V126 A127F28-A121 HydrophobicContact CD1-CB 4.11Å; F28-A121 HydrophobicContact CE1-CB 3.82Å; R101-A121 HydrophobicContact CB-CB 4.47Å; R101-A121 WeakPolarHBondContact CB-O 3.49Å; R101-A121 WeakPolarHBondContact CD-O 3.5Å; R101-A121 PolarHBondContact NH1-O 3.12Å; R101-A121 WeakPolarHBondContact O-CB 3.46Å; R101-A121 PolarHBondContact O-N 3.45Å; A121-Q123 VanDerWaalsContact CB-O 3.28Å; A121-Q123 WeakPolarHBondContact CB-O 3.31Å; A121-V126 HydrophobicContact CB-CB 4.41Å; A121-V126 HydrophobicContact CB-CG1 4.13Å; A121-A127 HydrophobicContact CB-CB 4.07Å
122F86.9Confident91.1Very high108 Ų10847.9 Ų47.947%0.47424%0.24SC..SBendtrans-82.5-18.5170.4-69-89.6000113K27 V29K27-F122 HydrophobicContact CB-CD2 4.1Å; K27-F122 HydrophobicContact CB-CE2 3.61Å; K27-F122 VanDerWaalsContact O-CD2 3.31Å; K27-F122 WeakPolarHBondContact O-CD2 3.24Å; K27-F122 WeakPolarHBondContact O-CE2 3.2Å; V29-F122 HydrophobicContact CG2-CZ 4.45Å
123Q87.1Confident91.3Very high119 Ų11948.1 Ų48.156%0.55624%0.238SC*.SBendtrans-139150.6-177.4-73.2175.4-26.900110A121 V126 A127A121-Q123 VanDerWaalsContact CB-O 3.28Å; A121-Q123 WeakPolarHBondContact CB-O 3.31Å; Q123-V126 HydrophobicContact CB-CB 4.33Å; Q123-V126 HydrophobicContact CB-CG2 4.04Å; Q123-A127 PolarHBondContact O-N 2.89Å
124E89.2Confident91.3Very high46 Ų4643.4 Ų43.422%0.21521%0.212CC..Hα-helixtrans-73.9-34.2-179.5168.5171.1-176.800111.6Q100 A127 K128Q100-E124 HydrophobicContact CB-CB 4.43Å; Q100-E124 HydrophobicContact CB-CG 4.04Å; Q100-E124 PolarHBondContact NE2-OE1 2.9Å; Q100-E124 PolarHBondContact NE2-OE2 3.18Å; E124-A127 WeakPolarHBondContact O-CB 3.3Å; E124-A127 PolarHBondContact O-N 3.42Å; E124-A127 VanDerWaalsContact O-N 3.17Å; E124-K128 VanDerWaalsContact CD-NZ 3.33Å; E124-K128 HydrophobicContact CG-CD 4.31Å; E124-K128 PolarHBondContact O-N 3.44Å; E124-K128 VanDerWaalsContact O-N 3.14Å; E124-K128 WeakPolarHBondContact OE1-CE 3.32Å; E124-K128 IonicContact OE1-NZ 2.91Å; E124-K128 PolarHBondContact OE1-NZ 2.92Å
125E89.8Confident91.3Very high118 Ų11843 Ų4355%0.55121%0.209SC*.Hα-helixtrans-60.8-48.1178.8-63.364.1-140.800110A127 K128 E129E125-A127 VanDerWaalsContact C-N 3.3Å; E125-A127 PolarHBondContact O-N 3.06Å; E125-K128 PolarHBondContact O-N 2.99Å; E125-E129 WeakPolarHBondContact O-CB 3.38Å; E125-E129 PolarHBondContact O-N 3.4Å
126V90.3Very high91.2Very high15 Ų1543.9 Ų43.99%0.09122%0.216CC..Hα-helixtrans-57.7-41.3174.1170.50000111.5I26 F28 A121 Q123 K128 W130I26-V126 HydrophobicContact CD1-CG1 4.26Å; I26-V126 HydrophobicContact CD1-CG2 4.37Å; I26-V126 HydrophobicContact CG2-CG1 3.88Å; F28-V126 HydrophobicContact CE1-CG1 4.05Å; F28-V126 HydrophobicContact CZ-CG1 3.87Å; A121-V126 HydrophobicContact CB-CB 4.41Å; A121-V126 HydrophobicContact CB-CG1 4.13Å; Q123-V126 HydrophobicContact CB-CB 4.33Å; Q123-V126 HydrophobicContact CB-CG2 4.04Å; V126-K128 VanDerWaalsContact C-N 3.33Å; V126-K128 PolarHBondContact O-N 3.04Å; V126-W130 WeakPolarHBondContact O-CB 3.37Å; V126-W130 PolarHBondContact O-N 3.33Å
127A91.1Very high91.1Very high0 Ų041.9 Ų41.90%021%0.207CC..Hα-helixtrans-64.1-38.1179.800000112.4I103 A121 Q123 E124 E125 T131I103-A127 HydrophobicContact CD1-CB 4.42Å; I103-A127 HydrophobicContact CG1-CB 3.97Å; A121-A127 HydrophobicContact CB-CB 4.07Å; Q123-A127 PolarHBondContact O-N 2.89Å; E124-A127 WeakPolarHBondContact O-CB 3.3Å; E124-A127 PolarHBondContact O-N 3.42Å; E124-A127 VanDerWaalsContact O-N 3.17Å; E125-A127 VanDerWaalsContact C-N 3.3Å; E125-A127 PolarHBondContact O-N 3.06Å; A127-T131 VanDerWaalsContact O-CB 3.26Å; A127-T131 WeakPolarHBondContact O-CB 3.26Å; A127-T131 PolarHBondContact O-N 3.26Å; A127-T131 VanDerWaalsContact O-N 3.16Å; A127-T131 PolarHBondContact O-OG1 3.11Å
128K91.4Very high91Very high94 Ų9442 Ų4241%0.40921%0.208SC..Hα-helixtrans-74.4-46.4176.6-65.7168.7-174.1167.60112.3E124 E125 V126 T131 N132E124-K128 VanDerWaalsContact CD-NZ 3.33Å; E124-K128 HydrophobicContact CG-CD 4.31Å; E124-K128 PolarHBondContact O-N 3.44Å; E124-K128 VanDerWaalsContact O-N 3.14Å; E124-K128 WeakPolarHBondContact OE1-CE 3.32Å; E124-K128 IonicContact OE1-NZ 2.91Å; E124-K128 PolarHBondContact OE1-NZ 2.92Å; E125-K128 PolarHBondContact O-N 2.99Å; V126-K128 VanDerWaalsContact C-N 3.33Å; V126-K128 PolarHBondContact O-N 3.04Å; K128-T131 PolarHBondContact O-N 3.19Å; K128-N132 VanDerWaalsContact O-CG 3.31Å; K128-N132 PolarHBondContact O-N 3.22Å; K128-N132 PolarHBondContact O-ND2 3.33Å
129E91.1Very high90.8Very high75 Ų7544.2 Ų44.235%0.3522%0.222SC..Hα-helixtrans-52.8-57175.7178.9-173.1120.200110.4S21 E125 T131 N132 E133S21-E129 VanDerWaalsContact CB-OE1 3.22Å; S21-E129 WeakPolarHBondContact CB-OE1 3.32Å; S21-E129 PolarHBondContact OG-OE1 3.4Å; E125-E129 WeakPolarHBondContact O-CB 3.38Å; E125-E129 PolarHBondContact O-N 3.4Å; E129-T131 PolarHBondContact O-N 2.62Å; E129-N132 PolarHBondContact O-N 2.88Å; E129-E133 PolarHBondContact O-N 3.06Å
130W90.9Very high90.9Very high1 Ų145.4 Ų45.40%0.00423%0.228CC..Hα-helixtrans-63.1-43.9-178.7-82.463.4000111.8S21 L22 I26 F28 L43 F52 I103 V126 N132 E133 V134S21-W130 PolarHBondContact OG-NE1 3.01Å; L22-W130 HydrophobicContact CB-CH2 4.42Å; L22-W130 HydrophobicContact CB-CZ2 4.5Å; L22-W130 HydrophobicContact CD1-CD2 3.64Å; L22-W130 VanDerWaalsContact CD1-CE2 3.41Å; L22-W130 HydrophobicContact CD1-CE3 4.01Å; L22-W130 HydrophobicContact CD1-CG 4.12Å; L22-W130 HydrophobicContact CD1-CH2 4Å; L22-W130 HydrophobicContact CD1-CZ2 3.63Å; L22-W130 HydrophobicContact CD1-CZ3 4.17Å; L22-W130 HydrophobicContact CG-CD2 4.31Å; L22-W130 HydrophobicContact CG-CE3 4.19Å; L22-W130 HydrophobicContact CG-CH2 3.82Å; L22-W130 HydrophobicContact CG-CZ2 3.95Å; L22-W130 HydrophobicContact CG-CZ3 3.93Å; I26-W130 HydrophobicContact CB-CZ2 3.86Å; I26-W130 HydrophobicContact CG1-CZ2 4.01Å; F28-W130 AromaticContact CE2-CD2 3.82Å; F28-W130 HydrophobicContact CE2-CD2 3.82Å; F28-W130 AromaticContact CE2-CE2 3.92Å; F28-W130 AromaticContact CE2-CE3 3.94Å; F28-W130 HydrophobicContact CE2-CE3 3.94Å; F28-W130 HydrophobicContact CE2-CG 4.41Å; F28-W130 HydrophobicContact CE2-CH2 4.25Å; F28-W130 HydrophobicContact CE2-CZ2 4.13Å; F28-W130 HydrophobicContact CE2-CZ3 4.17Å; F28-W130 HydrophobicContact CZ-CB 4.33Å; F28-W130 AromaticContact CZ-CD2 3.63Å; F28-W130 HydrophobicContact CZ-CD2 3.63Å; F28-W130 AromaticContact CZ-CE2 3.96Å; F28-W130 HydrophobicContact CZ-CE3 4.07Å; F28-W130 AromaticContact CZ-CG 3.74Å; F28-W130 HydrophobicContact CZ-CG 3.74Å; L43-W130 HydrophobicContact CB-CH2 4.25Å; L43-W130 HydrophobicContact CB-CZ3 4.11Å; L43-W130 HydrophobicContact CD2-CE3 3.94Å; L43-W130 HydrophobicContact CD2-CH2 4.5Å; L43-W130 HydrophobicContact CD2-CZ3 3.57Å; L43-W130 HydrophobicContact CG-CH2 4.23Å; L43-W130 HydrophobicContact CG-CZ3 3.67Å; L43-W130 WeakPolarHBondContact O-CH2 3.32Å; F52-W130 HydrophobicContact CE1-CZ3 4.35Å; I103-W130 HydrophobicContact CD1-CB 3.92Å; V126-W130 WeakPolarHBondContact O-CB 3.37Å; V126-W130 PolarHBondContact O-N 3.33Å; W130-N132 VanDerWaalsContact C-N 3.28Å; W130-N132 PolarHBondContact O-N 2.87Å; W130-E133 PolarHBondContact O-N 3.11Å; W130-V134 VanDerWaalsContact O-CB 3.32Å; W130-V134 WeakPolarHBondContact O-CB 3.29Å; W130-V134 WeakPolarHBondContact O-CG2 3Å; W130-V134 PolarHBondContact O-N 3.44Å
131T92.4Very high90.9Very high8 Ų846 Ų465%0.04923%0.231CC..Hα-helixtrans-56.4-43.3178.2-65.10000112.3A72 C74 A127 K128 E129 F135A72-T131 HydrophobicContact CB-CG2 3.93Å; A72-T131 WeakPolarHBondContact O-CG2 3.32Å; C74-T131 HydrophobicContact CB-CG2 4.3Å; C74-T131 WeakPolarHBondContact CB-OG1 3.28Å; A127-T131 VanDerWaalsContact O-CB 3.26Å; A127-T131 WeakPolarHBondContact O-CB 3.26Å; A127-T131 PolarHBondContact O-N 3.26Å; A127-T131 VanDerWaalsContact O-N 3.16Å; A127-T131 PolarHBondContact O-OG1 3.11Å; K128-T131 PolarHBondContact O-N 3.19Å; E129-T131 PolarHBondContact O-N 2.62Å; T131-F135 WeakPolarHBondContact O-CB 3.38Å; T131-F135 PolarHBondContact O-N 3.38Å
132N91.5Very high90.9Very high110 Ų11047.7 Ų47.759%0.58824%0.24SC*.Hα-helixtrans-70.1-43.2179-67.9-23.4000112.2K128 E129 W130 F135 S136K128-N132 VanDerWaalsContact O-CG 3.31Å; K128-N132 PolarHBondContact O-N 3.22Å; K128-N132 PolarHBondContact O-ND2 3.33Å; E129-N132 PolarHBondContact O-N 2.88Å; W130-N132 VanDerWaalsContact C-N 3.28Å; W130-N132 PolarHBondContact O-N 2.87Å; N132-F135 PolarHBondContact O-N 2.8Å; N132-S136 WeakPolarHBondContact O-CB 3.49Å; N132-S136 PolarHBondContact O-N 2.94Å
133E90.5Very high91.2Very high54 Ų5443.5 Ų43.525%0.25223%0.225SC..Hα-helixtrans-68.3-43.1177.7-71.7-162.5-163.900112.4S19 L22 E129 W130 F135 S136 L137S19-E133 VanDerWaalsContact CB-OE1 3.27Å; S19-E133 WeakPolarHBondContact CB-OE1 3.35Å; S19-E133 WeakPolarHBondContact CB-OE2 3.44Å; S19-E133 PolarHBondContact OG-OE1 3.02Å; S19-E133 PolarHBondContact OG-OE2 3.47Å; L22-E133 HydrophobicContact CD1-CB 4.36Å; L22-E133 WeakPolarHBondContact CD1-OE2 3.37Å; L22-E133 HydrophobicContact CD2-CB 3.91Å; E129-E133 PolarHBondContact O-N 3.06Å; W130-E133 PolarHBondContact O-N 3.11Å; E133-F135 VanDerWaalsContact C-N 3.27Å; E133-F135 PolarHBondContact O-N 3.25Å; E133-S136 PolarHBondContact O-N 3.02Å; E133-L137 WeakPolarHBondContact O-CB 3.45Å; E133-L137 VanDerWaalsContact O-CG 3.26Å; E133-L137 WeakPolarHBondContact O-CG 3.34Å; E133-L137 PolarHBondContact O-N 3.03Å
134V90.4Very high91.4Very high2 Ų239 Ų391%0.01220%0.204CC..Hα-helixtrans-50.5-50.6172.8174.90000110.2F52 V69 A72 V105 W130 L137 A138F52-V134 HydrophobicContact CE2-CB 4.2Å; F52-V134 HydrophobicContact CE2-CG1 3.76Å; F52-V134 HydrophobicContact CE2-CG2 3.65Å; F52-V134 HydrophobicContact CZ-CB 3.98Å; F52-V134 HydrophobicContact CZ-CG1 4.01Å; F52-V134 HydrophobicContact CZ-CG2 3.37Å; V69-V134 HydrophobicContact CG1-CG1 4.07Å; A72-V134 HydrophobicContact CB-CB 3.97Å; A72-V134 HydrophobicContact CB-CG1 3.77Å; V105-V134 HydrophobicContact CG1-CG1 4.06Å; V105-V134 HydrophobicContact CG2-CG1 4.16Å; V105-V134 HydrophobicContact CG2-CG2 4.48Å; W130-V134 VanDerWaalsContact O-CB 3.32Å; W130-V134 WeakPolarHBondContact O-CB 3.29Å; W130-V134 WeakPolarHBondContact O-CG2 3Å; W130-V134 PolarHBondContact O-N 3.44Å; V134-L137 PolarHBondContact O-N 3.44Å; V134-A138 WeakPolarHBondContact O-CB 3.43Å; V134-A138 PolarHBondContact O-N 2.83Å
135F92.3Very high91.7Very high30 Ų3038.7 Ų38.713%0.13220%0.204CC..Hα-helixtrans-68.5-42.2-176.5-169.6-102.8000112.1A72 T131 N132 E133 L137 A138 T139 L354 K401 T402A72-F135 HydrophobicContact CB-CB 4.39Å; T131-F135 WeakPolarHBondContact O-CB 3.38Å; T131-F135 PolarHBondContact O-N 3.38Å; N132-F135 PolarHBondContact O-N 2.8Å; E133-F135 VanDerWaalsContact C-N 3.27Å; E133-F135 PolarHBondContact O-N 3.25Å; F135-L137 VanDerWaalsContact C-N 3.33Å; F135-L137 PolarHBondContact O-N 3.17Å; F135-A138 PolarHBondContact O-N 3.13Å; F135-T139 HydrophobicContact CD1-CG2 4.28Å; F135-T139 HydrophobicContact CD2-CG2 4.27Å; F135-T139 HydrophobicContact CE1-CG2 3.89Å; F135-T139 HydrophobicContact CE2-CG2 3.88Å; F135-T139 HydrophobicContact CG-CG2 4.46Å; F135-T139 HydrophobicContact CZ-CG2 3.68Å; F135-T139 WeakPolarHBondContact O-CB 3.4Å; F135-T139 WeakPolarHBondContact O-CG2 3.31Å; F135-T139 PolarHBondContact O-N 3.44Å; F135-T139 PolarHBondContact O-OG1 3.07Å; F135-L354 HydrophobicContact CE2-CD2 3.76Å; F135-L354 HydrophobicContact CZ-CD2 3.84Å; F135-K401 HydrophobicContact CE1-CB 4.14Å; F135-K401 WeakPolarHBondContact CE1-O 3.29Å; F135-K401 HydrophobicContact CZ-CB 3.78Å; F135-K401 HydrophobicContact CZ-CD 4.43Å; F135-T402 HydrophobicContact CE1-CG2 4.34Å; F135-T402 HydrophobicContact CZ-CG2 3.65Å
136S91.8Very high91.9Very high74 Ų7434.9 Ų34.952%0.51719%0.187SC..Hα-helixtrans-63.8-35176.6-173.10000112.9N132 E133 N140N132-S136 WeakPolarHBondContact O-CB 3.49Å; N132-S136 PolarHBondContact O-N 2.94Å; E133-S136 PolarHBondContact O-N 3.02Å; S136-N140 PolarHBondContact O-N 3.42Å
137L91.8Very high92.1Very high14 Ų1435 Ų357%0.07319%0.189CC..Hα-helixtrans-70.6-49.8175.3-68.9172000111V16 V18 L22 T45 L66 E133 V134 F135 T139 N140V16-L137 HydrophobicContact CG1-CD2 3.52Å; V18-L137 HydrophobicContact CG2-CD2 4.05Å; L22-L137 HydrophobicContact CD2-CD1 3.75Å; T45-L137 HydrophobicContact CG2-CD1 4.33Å; L66-L137 HydrophobicContact CD1-CB 4.42Å; L66-L137 HydrophobicContact CD1-CD1 4.28Å; E133-L137 WeakPolarHBondContact O-CB 3.45Å; E133-L137 VanDerWaalsContact O-CG 3.26Å; E133-L137 WeakPolarHBondContact O-CG 3.34Å; E133-L137 PolarHBondContact O-N 3.03Å; V134-L137 PolarHBondContact O-N 3.44Å; F135-L137 VanDerWaalsContact C-N 3.33Å; F135-L137 PolarHBondContact O-N 3.17Å; L137-T139 VanDerWaalsContact C-N 3.32Å; L137-T139 PolarHBondContact O-N 2.97Å; L137-N140 PolarHBondContact O-N 3.06Å
138A91.6Very high92.3Very high7 Ų735.3 Ų35.36%0.05819%0.19CC..Hα-helixtrans-61.9-36.4-178.400000113.3V69 V134 F135 Q144V69-A138 HydrophobicContact CB-CB 3.73Å; V69-A138 HydrophobicContact CG1-CB 3.75Å; V134-A138 WeakPolarHBondContact O-CB 3.43Å; V134-A138 PolarHBondContact O-N 2.83Å; F135-A138 PolarHBondContact O-N 3.13Å; A138-Q144 PolarHBondContact O-NE2 3.03Å
139T91.1Very high92.5Very high48 Ų4832.8 Ų32.829%0.29418%0.181SC..Hα-helixtrans-89.7-8.2-176.256.90000115F135 L137 L141 T402F135-T139 HydrophobicContact CD1-CG2 4.28Å; F135-T139 HydrophobicContact CD2-CG2 4.27Å; F135-T139 HydrophobicContact CE1-CG2 3.89Å; F135-T139 HydrophobicContact CE2-CG2 3.88Å; F135-T139 HydrophobicContact CG-CG2 4.46Å; F135-T139 HydrophobicContact CZ-CG2 3.68Å; F135-T139 WeakPolarHBondContact O-CB 3.4Å; F135-T139 WeakPolarHBondContact O-CG2 3.31Å; F135-T139 PolarHBondContact O-N 3.44Å; F135-T139 PolarHBondContact O-OG1 3.07Å; L137-T139 VanDerWaalsContact C-N 3.32Å; L137-T139 PolarHBondContact O-N 2.97Å; T139-L141 PolarHBondContact O-N 3.33Å; T139-T402 HydrophobicContact CG2-CG2 4.11Å
140N93.1Very high92.7Very high27 Ų2730 Ų3014%0.14417%0.171CC..  trans-60.6120-175.5-174.5-66000112.4K14 V16 S136 L137 L142 A143 Q144K14-N140 PolarHBondContact O-ND2 3.05Å; V16-N140 HydrophobicContact CG2-CB 4.37Å; S136-N140 PolarHBondContact O-N 3.42Å; L137-N140 PolarHBondContact O-N 3.06Å; N140-L142 VanDerWaalsContact C-N 3.34Å; N140-L142 PolarHBondContact O-N 2.9Å; N140-L142 WeakPolarHBondContact OD1-CA 3.48Å; N140-L142 WeakPolarHBondContact OD1-CB 3.33Å; N140-L142 PolarHBondContact OD1-N 2.91Å; N140-A143 HydrophobicContact CB-CB 3.89Å; N140-A143 WeakPolarHBondContact O-CB 3.45Å; N140-A143 PolarHBondContact O-N 3.13Å; N140-A143 PolarHBondContact OD1-N 2.98Å; N140-Q144 WeakPolarHBondContact O-CG 3.49Å; N140-Q144 PolarHBondContact O-N 3.41Å; N140-Q144 VanDerWaalsContact O-N 3.16Å
141L92.6Very high93Very high14 Ų1430.2 Ų30.27%0.07317%0.171CC..Hα-helixtrans-68.5-28.7-174.9-61.5-175.5000113.9L13 T139 Q144 N145 K645L13-L141 HydrophobicContact CD1-CB 4.17Å; L13-L141 HydrophobicContact CD2-CB 4.34Å; L13-L141 HydrophobicContact CD2-CD1 4.12Å; L13-L141 HydrophobicContact CD2-CG 4.49Å; T139-L141 PolarHBondContact O-N 3.33Å; L141-Q144 PolarHBondContact O-N 3.07Å; L141-N145 WeakPolarHBondContact O-CB 3.46Å; L141-N145 PolarHBondContact O-N 3.24Å; L141-N145 PolarHBondContact O-ND2 3.06Å; L141-K645 HydrophobicContact CD2-CB 4.49Å; L141-K645 HydrophobicContact CD2-CD 3.63Å; L141-K645 HydrophobicContact CD2-CG 3.76Å
142L93.2Very high93.2Very high37 Ų3730.9 Ų30.919%0.19418%0.175CC..Hα-helixtrans-73.7-39.6175.3-55.2-178.8000110.6L13 N140 Q144 N145 M146 P309L13-L142 HydrophobicContact CB-CD1 4.03Å; L13-L142 HydrophobicContact CB-CD2 4.15Å; L13-L142 HydrophobicContact CB-CG 4.02Å; L13-L142 HydrophobicContact CD1-CD2 3.8Å; L13-L142 HydrophobicContact CD1-CG 4.32Å; N140-L142 VanDerWaalsContact C-N 3.34Å; N140-L142 PolarHBondContact O-N 2.9Å; N140-L142 WeakPolarHBondContact OD1-CA 3.48Å; N140-L142 WeakPolarHBondContact OD1-CB 3.33Å; N140-L142 PolarHBondContact OD1-N 2.91Å; L142-Q144 PolarHBondContact O-N 3.46Å; L142-N145 CarbonylContact O-C 3.6Å; L142-N145 VanDerWaalsContact O-C 3.23Å; L142-N145 PolarHBondContact O-N 3.48Å; L142-M146 VanDerWaalsContact O-CG 3.27Å; L142-M146 WeakPolarHBondContact O-CG 3.46Å; L142-M146 PolarHBondContact O-N 2.85Å; L142-P309 HydrophobicContact CD2-CB 4.12Å
143A92.1Very high93.4Very high20 Ų2029 Ų2917%0.16516%0.163CC..Hα-helixtrans-61.9-25.4172.200000113.3V16 N140 M146V16-A143 HydrophobicContact CG2-CB 3.67Å; N140-A143 HydrophobicContact CB-CB 3.89Å; N140-A143 WeakPolarHBondContact O-CB 3.45Å; N140-A143 PolarHBondContact O-N 3.13Å; N140-A143 PolarHBondContact OD1-N 2.98Å; A143-M146 WeakPolarHBondContact O-CE 3.36Å; A143-M146 WeakPolarHBondContact O-CG 3.46Å
144Q92Very high93.7Very high25 Ų2526.9 Ų26.912%0.11715%0.152CC..Hα-helixtrans-87.7-20.6173.7-64.1179.81500112.8A138 N140 L141 L142 R777A138-Q144 PolarHBondContact O-NE2 3.03Å; N140-Q144 WeakPolarHBondContact O-CG 3.49Å; N140-Q144 PolarHBondContact O-N 3.41Å; N140-Q144 VanDerWaalsContact O-N 3.16Å; L141-Q144 PolarHBondContact O-N 3.07Å; L142-Q144 PolarHBondContact O-N 3.46Å; Q144-R777 PolarHBondContact O-NH2 2.87Å
145N94.1Very high94Very high40 Ų4026.8 Ų26.821%0.21415%0.152CC..SBendtrans-116.235.6-178.8-72-88.2000112.7L141 L142 L312 E641 R760 R777L141-N145 WeakPolarHBondContact O-CB 3.46Å; L141-N145 PolarHBondContact O-N 3.24Å; L141-N145 PolarHBondContact O-ND2 3.06Å; L142-N145 CarbonylContact O-C 3.6Å; L142-N145 VanDerWaalsContact O-C 3.23Å; L142-N145 PolarHBondContact O-N 3.48Å; N145-L312 HydrophobicContact CB-CD1 3.55Å; N145-L312 VanDerWaalsContact CG-CD1 3.44Å; N145-E641 PolarHBondContact ND2-OE1 2.87Å; N145-E641 PolarHBondContact OD1-OE1 3.31Å; N145-R760 PolarHBondContact OD1-NH2 3.21Å; N145-R777 PolarHBondContact ND2-NH2 3.33Å; N145-R777 PolarHBondContact OD1-NH2 3.09Å
146M93.7Very high94.2Very high37 Ų3726.8 Ų26.818%0.18215%0.151CC..  trans-63.1159.6-176.6-64.4-175.8-57.700113.6F50 L142 A143 A150 F151 K154F50-M146 HydrophobicContact CD1-CE 4.4Å; F50-M146 HydrophobicContact CD1-SD 4.28Å; F50-M146 HydrophobicContact CE1-CE 4.07Å; F50-M146 HydrophobicContact CE1-SD 3.61Å; L142-M146 VanDerWaalsContact O-CG 3.27Å; L142-M146 WeakPolarHBondContact O-CG 3.46Å; L142-M146 PolarHBondContact O-N 2.85Å; A143-M146 WeakPolarHBondContact O-CE 3.36Å; A143-M146 WeakPolarHBondContact O-CG 3.46Å; M146-A150 HydrophobicContact CB-CB 4.04Å; M146-A150 HydrophobicContact SD-CB 4.39Å; M146-F151 HydrophobicContact CB-CD2 4.06Å; M146-F151 HydrophobicContact CB-CE2 3.73Å; M146-F151 HydrophobicContact CB-CZ 4.11Å; M146-F151 HydrophobicContact CE-CD1 3.82Å; M146-F151 HydrophobicContact CE-CE1 3.5Å; M146-F151 VanDerWaalsContact CE-CE1 3.5Å; M146-F151 HydrophobicContact CE-CE2 4.37Å; M146-F151 HydrophobicContact CE-CG 4.36Å; M146-F151 HydrophobicContact CE-CZ 3.8Å; M146-F151 WeakPolarHBondContact O-CE2 3.29Å; M146-K154 HydrophobicContact CE-CD 4.33Å
147S95.4Very high94.5Very high19 Ų1924 Ų2413%0.13313%0.131CC..  trans-63.5163171.769.40000112.3D149 A150 F151 S300 G301S147-D149 VanDerWaalsContact C-N 3.32Å; S147-D149 PolarHBondContact O-N 2.96Å; S147-A150 PolarHBondContact O-N 3.42Å; S147-A150 WeakPolarHBondContact OG-CB 3.42Å; S147-A150 PolarHBondContact OG-N 2.88Å; S147-F151 VanDerWaalsContact O-CD2 3.3Å; S147-F151 WeakPolarHBondContact O-CD2 3.43Å; S147-F151 PolarHBondContact O-N 2.74Å; S147-F151 VanDerWaalsContact O-N 3.12Å; S147-S300 WeakPolarHBondContact CB-O 3.18Å; S147-G301 VanDerWaalsContact CB-C 3.49Å; S147-G301 WeakPolarHBondContact CB-O 3.43Å
148R96.3Very high94.7Very high5 Ų526.2 Ų26.22%0.01914%0.14CC..Hα-helixtrans-64.1-40.3177.7177.453.9176168-14.4111.4F151 L152 S300 Q686 Y773 L786R148-F151 PolarHBondContact O-N 2.99Å; R148-L152 HydrophobicContact CG-CD1 4.39Å; R148-L152 WeakPolarHBondContact O-CG 3.42Å; R148-L152 PolarHBondContact O-N 3.02Å; R148-L152 VanDerWaalsContact O-N 3.12Å; R148-S300 PolarHBondContact N-O 3.27Å; R148-Q686 VanDerWaalsContact CZ-OE1 3.24Å; R148-Y773 HydrophobicContact CB-CD2 3.92Å; R148-Y773 HydrophobicContact CB-CG 3.94Å; R148-Y773 HydrophobicContact CG-CD1 4.13Å; R148-Y773 HydrophobicContact CG-CD2 4.13Å; R148-Y773 HydrophobicContact CG-CE1 4.42Å; R148-Y773 HydrophobicContact CG-CE2 4.42Å; R148-Y773 HydrophobicContact CG-CG 3.95Å; R148-L786 VanDerWaalsContact CZ-O 3.25Å; R148-L786 PolarHBondContact NH1-O 3.35Å; R148-L786 PolarHBondContact NH2-O 3.45Å
149D95.2Very high94.9Very high41 Ų4126 Ų2622%0.21914%0.138CC..Hα-helixtrans-62.6-42.2178-164.254.3000111.3S147 F151 L152 E153 R213 S300S147-D149 VanDerWaalsContact C-N 3.32Å; S147-D149 PolarHBondContact O-N 2.96Å; D149-F151 PolarHBondContact O-N 3.37Å; D149-L152 CarbonylContact O-C 3.52Å; D149-L152 WeakPolarHBondContact O-CB 3.13Å; D149-L152 PolarHBondContact O-N 3.09Å; D149-L152 VanDerWaalsContact O-N 3.09Å; D149-E153 PolarHBondContact O-N 3.34Å; D149-R213 IonicContact OD1-CZ 3.79Å; D149-R213 IonicContact OD1-NE 2.85Å; D149-R213 IonicContact OD1-NH2 3.67Å; D149-R213 PolarHBondContact OD1-NH2 2.67Å; D149-R213 IonicContact OD2-NH2 2.89Å; D149-R213 PolarHBondContact OD2-NH2 3.09Å; D149-S300 PolarHBondContact N-O 3.05Å
150A95.4Very high95Very high17 Ų1725.3 Ų25.314%0.1413%0.131CC..Hα-helixtrans-66.3-32.8175.200000113.5M146 S147 L152 E153 K154M146-A150 HydrophobicContact CB-CB 4.04Å; M146-A150 HydrophobicContact SD-CB 4.39Å; S147-A150 PolarHBondContact O-N 3.42Å; S147-A150 WeakPolarHBondContact OG-CB 3.42Å; S147-A150 PolarHBondContact OG-N 2.88Å; A150-L152 VanDerWaalsContact C-N 3.33Å; A150-E153 PolarHBondContact O-N 2.92Å; A150-K154 WeakPolarHBondContact O-CB 3.48Å; A150-K154 PolarHBondContact O-N 3.33Å
151F96.8Very high95Very high5 Ų525.2 Ų25.22%0.02213%0.13CC..Hα-helixtrans-67.6-31.8170.5-84.2-64.2000113M146 S147 R148 D149 A155 C775 P783M146-F151 HydrophobicContact CB-CD2 4.06Å; M146-F151 HydrophobicContact CB-CE2 3.73Å; M146-F151 HydrophobicContact CB-CZ 4.11Å; M146-F151 HydrophobicContact CE-CD1 3.82Å; M146-F151 HydrophobicContact CE-CE1 3.5Å; M146-F151 VanDerWaalsContact CE-CE1 3.5Å; M146-F151 HydrophobicContact CE-CE2 4.37Å; M146-F151 HydrophobicContact CE-CG 4.36Å; M146-F151 HydrophobicContact CE-CZ 3.8Å; M146-F151 WeakPolarHBondContact O-CE2 3.29Å; S147-F151 VanDerWaalsContact O-CD2 3.3Å; S147-F151 WeakPolarHBondContact O-CD2 3.43Å; S147-F151 PolarHBondContact O-N 2.74Å; S147-F151 VanDerWaalsContact O-N 3.12Å; R148-F151 PolarHBondContact O-N 2.99Å; D149-F151 PolarHBondContact O-N 3.37Å; F151-A155 PolarHBondContact O-N 3.16Å; F151-C775 HydrophobicContact CD2-CB 4.02Å; F151-C775 VanDerWaalsContact CD2-SG 3.55Å; F151-C775 HydrophobicContact CE2-CB 3.96Å; F151-P783 HydrophobicContact CE1-CB 3.71Å; F151-P783 HydrophobicContact CE1-CG 4.36Å; F151-P783 HydrophobicContact CZ-CB 3.48Å; F151-P783 VanDerWaalsContact CZ-CB 3.48Å; F151-P783 HydrophobicContact CZ-CG 4.26Å
152L96.3Very high94.9Very high22 Ų2226.4 Ų26.412%0.11514%0.135CC..Hα-helixtrans-75.3-35.3172.9-64.4170.3000111.7R148 D149 A150 A155 Y156 Y212 L216 F687 L786R148-L152 HydrophobicContact CG-CD1 4.39Å; R148-L152 WeakPolarHBondContact O-CG 3.42Å; R148-L152 PolarHBondContact O-N 3.02Å; R148-L152 VanDerWaalsContact O-N 3.12Å; D149-L152 CarbonylContact O-C 3.52Å; D149-L152 WeakPolarHBondContact O-CB 3.13Å; D149-L152 PolarHBondContact O-N 3.09Å; D149-L152 VanDerWaalsContact O-N 3.09Å; A150-L152 VanDerWaalsContact C-N 3.33Å; L152-A155 WeakPolarHBondContact O-CB 3.39Å; L152-A155 PolarHBondContact O-N 3.2Å; L152-Y156 PolarHBondContact O-N 3.39Å; L152-Y212 WeakPolarHBondContact O-CE1 3.43Å; L152-Y212 PolarHBondContact O-OH 2.95Å; L152-L216 HydrophobicContact CB-CD1 4.28Å; L152-L216 HydrophobicContact CD1-CD1 4.18Å; L152-L216 HydrophobicContact CD2-CD1 4.08Å; L152-L216 HydrophobicContact CG-CD1 4.41Å; L152-F687 HydrophobicContact CD2-CE2 4.19Å; L152-L786 HydrophobicContact CD2-CD2 4.23Å
153E96.4Very high94.8Very high72 Ų7226.1 Ų26.134%0.33614%0.135SC..Hα-helixtrans-61.4-43.8169.6-169-175.1-175.400111Q48 F50 D149 A150 A155 Y156 T157Q48-E153 PolarHBondContact NE2-OE1 2.98Å; F50-E153 HydrophobicContact CE2-CB 4.35Å; F50-E153 HydrophobicContact CE2-CG 4.15Å; D149-E153 PolarHBondContact O-N 3.34Å; A150-E153 PolarHBondContact O-N 2.92Å; E153-A155 VanDerWaalsContact C-N 3.26Å; E153-A155 PolarHBondContact O-N 3.25Å; E153-Y156 CarbonylContact O-C 3.58Å; E153-Y156 WeakPolarHBondContact O-CA 3.48Å; E153-Y156 WeakPolarHBondContact O-CB 3.2Å; E153-Y156 PolarHBondContact O-N 3.49Å; E153-T157 PolarHBondContact O-N 3.28Å; E153-T157 PolarHBondContact O-OG1 2.96Å
154K96.8Very high94.6Very high8 Ų826.7 Ų26.74%0.03514%0.136CC..Hα-helixtrans-57.4-38.4173.2-179.4166.4179.5174.90112.6F50 F51 D65 S67 M146 A150 K158 M785F50-K154 HydrophobicContact CB-CD 3.99Å; F50-K154 HydrophobicContact CB-CG 3.91Å; F50-K154 HydrophobicContact CD1-CB 4.22Å; F50-K154 HydrophobicContact CD1-CD 4.07Å; F50-K154 HydrophobicContact CD1-CG 4.28Å; F50-K154 HydrophobicContact CD2-CB 3.72Å; F50-K154 HydrophobicContact CD2-CG 3.97Å; F50-K154 HydrophobicContact CE1-CB 4.31Å; F50-K154 HydrophobicContact CE2-CB 3.8Å; F50-K154 HydrophobicContact CG-CB 3.93Å; F50-K154 HydrophobicContact CG-CD 3.99Å; F50-K154 HydrophobicContact CG-CG 3.81Å; F50-K154 HydrophobicContact CZ-CB 4.09Å; F51-K154 HydrophobicContact CE2-CG 3.77Å; F51-K154 WeakPolarHBondContact CE2-O 3.31Å; F51-K154 HydrophobicContact CZ-CD 4.28Å; F51-K154 HydrophobicContact CZ-CG 3.67Å; D65-K154 IonicContact OD1-NZ 3.97Å; D65-K154 PolarHBondContact OD1-NZ 3.48Å; D65-K154 WeakPolarHBondContact OD2-CE 3.46Å; D65-K154 IonicContact OD2-NZ 3.75Å; D65-K154 PolarHBondContact OD2-NZ 3.42Å; S67-K154 PolarHBondContact OG-NZ 2.89Å; M146-K154 HydrophobicContact CE-CD 4.33Å; A150-K154 WeakPolarHBondContact O-CB 3.48Å; A150-K154 PolarHBondContact O-N 3.33Å; K154-K158 WeakPolarHBondContact O-CB 3.47Å; K154-K158 PolarHBondContact O-N 3.14Å; K154-K158 VanDerWaalsContact O-N 3.1Å; K154-M785 HydrophobicContact CB-CG 4.45Å; K154-M785 HydrophobicContact CD-CG 4.32Å; K154-M785 HydrophobicContact CG-CG 4.07Å; K154-M785 HydrophobicContact CG-SD 3.97Å
155A96.8Very high94.3Very high0 Ų029 Ų290%015%0.153CC..Hα-helixtrans-67.4-37.8174.100000112.8F151 L152 E153 L159 L177 M785 L786F151-A155 PolarHBondContact O-N 3.16Å; L152-A155 WeakPolarHBondContact O-CB 3.39Å; L152-A155 PolarHBondContact O-N 3.2Å; E153-A155 VanDerWaalsContact C-N 3.26Å; E153-A155 PolarHBondContact O-N 3.25Å; A155-L159 PolarHBondContact O-N 3.35Å; A155-L177 HydrophobicContact CB-CD2 4.33Å; A155-M785 HydrophobicContact CB-CE 3.86Å; A155-M785 HydrophobicContact CB-CG 4.47Å; A155-M785 HydrophobicContact CB-SD 4.34Å; A155-L786 HydrophobicContact CB-CD2 3.76Å
156Y97.1Very high93.9Very high30 Ų3033.7 Ų33.712%0.11817%0.174CC..Hα-helixtrans-66.7-49.2173.7169-100.6000112.8L152 E153 K158 L159 K160 F207 P209 Y212L152-Y156 PolarHBondContact O-N 3.39Å; E153-Y156 CarbonylContact O-C 3.58Å; E153-Y156 WeakPolarHBondContact O-CA 3.48Å; E153-Y156 WeakPolarHBondContact O-CB 3.2Å; E153-Y156 PolarHBondContact O-N 3.49Å; Y156-K158 PolarHBondContact O-N 3.49Å; Y156-L159 WeakPolarHBondContact O-CB 3.5Å; Y156-L159 PolarHBondContact O-N 3.14Å; Y156-K160 HydrophobicContact CD1-CG 4.43Å; Y156-K160 HydrophobicContact CE1-CG 4.08Å; Y156-K160 HydrophobicContact CE2-CG 4.19Å; Y156-K160 PolarHBondContact O-N 3.27Å; Y156-K160 VanDerWaalsContact OH-CE 3.23Å; Y156-K160 WeakPolarHBondContact OH-CE 3.24Å; Y156-K160 PolarHBondContact OH-NZ 2.62Å; Y156-F207 HydrophobicContact CD2-CD1 4.16Å; Y156-F207 AromaticContact CD2-CE1 3.95Å; Y156-F207 HydrophobicContact CD2-CE1 3.95Å; Y156-F207 AromaticContact CE2-CD1 3.87Å; Y156-F207 HydrophobicContact CE2-CD1 3.87Å; Y156-F207 HydrophobicContact CE2-CE1 4.13Å; Y156-F207 WeakPolarHBondContact CE2-O 3.12Å; Y156-F207 PolarHBondContact OH-O 2.85Å; Y156-P209 HydrophobicContact CE1-CG 4.16Å; Y156-P209 WeakPolarHBondContact OH-CD 3.43Å; Y156-Y212 AromaticContact CD2-CD1 3.87Å; Y156-Y212 HydrophobicContact CD2-CD1 3.87Å; Y156-Y212 HydrophobicContact CD2-CD2 4.12Å; Y156-Y212 AromaticContact CD2-CG 3.63Å; Y156-Y212 HydrophobicContact CD2-CG 3.63Å; Y156-Y212 HydrophobicContact CE2-CG 4.42Å; Y156-Y212 HydrophobicContact CG-CD1 4.11Å; Y156-Y212 HydrophobicContact CG-CE1 4.44Å; Y156-Y212 HydrophobicContact CG-CG 4.33Å
157T96.5Very high93.6Very high15 Ų1533.2 Ų33.29%0.09218%0.178CC..Hα-helixtrans-57.5-39.4176.7-63.70000111.1D46 F50 F51 E153 L159 K160 L161D46-T157 HydrophobicContact CB-CG2 3.88Å; F50-T157 HydrophobicContact CD2-CG2 4.31Å; F51-T157 HydrophobicContact CD2-CG2 4.34Å; E153-T157 PolarHBondContact O-N 3.28Å; E153-T157 PolarHBondContact O-OG1 2.96Å; T157-L159 VanDerWaalsContact C-N 3.34Å; T157-L159 PolarHBondContact O-N 3.15Å; T157-K160 PolarHBondContact O-N 3.13Å; T157-L161 HydrophobicContact CG2-CD1 3.91Å; T157-L161 HydrophobicContact CG2-CG 4.37Å; T157-L161 WeakPolarHBondContact O-CG 3.3Å; T157-L161 PolarHBondContact O-N 3.43Å
158K96.2Very high93.5Very high61 Ų6137 Ų3727%0.26519%0.19SC..Hα-helixtrans-59.7-40173.3-168.1173.6-172.9165.30113.3F51 K154 Y156 Q162 M785F51-K158 HydrophobicContact CE1-CD 4.21Å; F51-K158 HydrophobicContact CE1-CG 4.39Å; F51-K158 HydrophobicContact CE2-CB 3.88Å; F51-K158 HydrophobicContact CE2-CG 4.5Å; F51-K158 HydrophobicContact CZ-CB 3.74Å; F51-K158 HydrophobicContact CZ-CD 3.97Å; F51-K158 HydrophobicContact CZ-CG 4.02Å; K154-K158 WeakPolarHBondContact O-CB 3.47Å; K154-K158 PolarHBondContact O-N 3.14Å; K154-K158 VanDerWaalsContact O-N 3.1Å; Y156-K158 PolarHBondContact O-N 3.49Å; K158-Q162 WeakPolarHBondContact O-CG 3.32Å; K158-Q162 PolarHBondContact O-N 3.4Å; K158-M785 HydrophobicContact CD-CE 4.02Å; K158-M785 HydrophobicContact CD-SD 4.05Å
159L95.3Very high93.4Very high2 Ų236.8 Ų36.81%0.0119%0.189CC..Hα-helixtrans-69.6-39.6175.6-68.1173.2000111.9A155 Y156 T157 L161 Q162 I169 N173 I174 L177 F207 Y212A155-L159 PolarHBondContact O-N 3.35Å; Y156-L159 WeakPolarHBondContact O-CB 3.5Å; Y156-L159 PolarHBondContact O-N 3.14Å; T157-L159 VanDerWaalsContact C-N 3.34Å; T157-L159 PolarHBondContact O-N 3.15Å; L159-L161 VanDerWaalsContact C-N 3.33Å; L159-L161 PolarHBondContact O-N 2.91Å; L159-Q162 PolarHBondContact O-N 2.9Å; L159-I169 HydrophobicContact CB-CG2 4.46Å; L159-N173 HydrophobicContact CD2-CB 4.11Å; L159-I174 HydrophobicContact CD1-CG1 4.14Å; L159-I174 HydrophobicContact CD2-CG1 3.96Å; L159-L177 HydrophobicContact CD1-CD2 3.94Å; L159-L177 HydrophobicContact CD2-CD2 3.92Å; L159-L177 HydrophobicContact CG-CD2 3.83Å; L159-F207 HydrophobicContact CD1-CE1 4.14Å; L159-F207 HydrophobicContact CD1-CZ 4.27Å; L159-Y212 HydrophobicContact CD1-CE2 4.32Å
160K94.5Very high93.4Very high35 Ų3535.2 Ų35.215%0.15218%0.181CC..Hα-helixtrans-65.6-30.9177.3-75.8-85.1169.3143.10113.7Y156 T157 V163 I169 Q204 F207Y156-K160 HydrophobicContact CD1-CG 4.43Å; Y156-K160 HydrophobicContact CE1-CG 4.08Å; Y156-K160 HydrophobicContact CE2-CG 4.19Å; Y156-K160 PolarHBondContact O-N 3.27Å; Y156-K160 VanDerWaalsContact OH-CE 3.23Å; Y156-K160 WeakPolarHBondContact OH-CE 3.24Å; Y156-K160 PolarHBondContact OH-NZ 2.62Å; T157-K160 PolarHBondContact O-N 3.13Å; K160-V163 WeakPolarHBondContact O-CG1 3.38Å; K160-I169 HydrophobicContact CD-CD1 4Å; K160-I169 HydrophobicContact CG-CD1 4.46Å; K160-Q204 HydrophobicContact CD-CG 4.35Å; K160-Q204 PolarHBondContact NZ-O 3.26Å; K160-F207 WeakPolarHBondContact CE-O 3.47Å; K160-F207 PolarHBondContact NZ-O 3.13Å
161L92.9Very high93.3Very high24 Ų2434.4 Ų34.413%0.12618%0.175CC..Hα-helixtrans-84.3-26177-64.9173.9000113F51 Y53 T61 L63 T157 L159 V163F51-L161 HydrophobicContact CB-CD1 4.48Å; F51-L161 HydrophobicContact CD2-CD1 4.34Å; Y53-L161 HydrophobicContact CD1-CD1 4.01Å; Y53-L161 HydrophobicContact CD1-CD2 4.06Å; Y53-L161 HydrophobicContact CD2-CD2 3.97Å; Y53-L161 HydrophobicContact CE1-CD1 4.39Å; Y53-L161 HydrophobicContact CE1-CD2 3.87Å; Y53-L161 HydrophobicContact CE2-CD2 3.76Å; Y53-L161 HydrophobicContact CG-CD1 4.3Å; Y53-L161 HydrophobicContact CG-CD2 4.1Å; T61-L161 WeakPolarHBondContact CB-O 3.47Å; T61-L161 WeakPolarHBondContact CG2-O 3.43Å; L63-L161 HydrophobicContact CD1-CB 4.11Å; L63-L161 HydrophobicContact CD2-CB 4.04Å; L63-L161 HydrophobicContact CD2-CD1 3.74Å; T157-L161 HydrophobicContact CG2-CD1 3.91Å; T157-L161 HydrophobicContact CG2-CG 4.37Å; T157-L161 WeakPolarHBondContact O-CG 3.3Å; T157-L161 PolarHBondContact O-N 3.43Å; L159-L161 VanDerWaalsContact C-N 3.33Å; L159-L161 PolarHBondContact O-N 2.91Å; L161-V163 PolarHBondContact O-N 3.02Å; L161-V163 VanDerWaalsContact O-N 3.11Å
162Q90.9Very high93.2Very high39 Ų3939.2 Ų39.218%0.18220%0.195CC..SBendtrans-86.766.3179.1-69.5-166.8-2800113.2L63 K158 L159 P170 N173L63-Q162 HydrophobicContact CD1-CG 3.26Å; K158-Q162 WeakPolarHBondContact O-CG 3.32Å; K158-Q162 PolarHBondContact O-N 3.4Å; L159-Q162 PolarHBondContact O-N 2.9Å; Q162-P170 WeakPolarHBondContact O-CD 3.39Å; Q162-N173 WeakPolarHBondContact CB-ND2 3.43Å; Q162-N173 PolarHBondContact O-ND2 3.19Å
163V90.6Very high93.1Very high31 Ų3139 Ų3919%0.18819%0.194CC..  trans-96.4163.3-177.3-66.70000114.7K160 L161 R168 I169 Q204K160-V163 WeakPolarHBondContact O-CG1 3.38Å; L161-V163 PolarHBondContact O-N 3.02Å; L161-V163 VanDerWaalsContact O-N 3.11Å; V163-R168 CarbonylContact C-O 3.55Å; V163-R168 VanDerWaalsContact CA-O 3.27Å; V163-R168 WeakPolarHBondContact CA-O 3.26Å; V163-R168 WeakPolarHBondContact CB-O 3.19Å; V163-I169 HydrophobicContact CG1-CG1 4.29Å; V163-Q204 HydrophobicContact CG1-CG 4.28Å
164T88.7Confident93Very high32 Ų3235.5 Ų35.520%0.19618%0.178CC..  trans-74.1169.1167.371.30000111.8E166 G167 R168 P170T164-E166 WeakPolarHBondContact CB-OE2 3.44Å; T164-E166 PolarHBondContact O-N 3.36Å; T164-E166 VanDerWaalsContact O-N 3.12Å; T164-E166 PolarHBondContact OG1-N 3.34Å; T164-E166 PolarHBondContact OG1-OE2 2.94Å; T164-G167 WeakPolarHBondContact O-CA 3.07Å; T164-G167 PolarHBondContact O-N 3.21Å; T164-R168 PolarHBondContact N-O 2.86Å; T164-R168 PolarHBondContact OG1-N 2.95Å; T164-P170 HydrophobicContact CG2-CB 4.5Å; T164-P170 HydrophobicContact CG2-CG 3.78Å
165P84.4Confident92.9Very high73 Ų7335.3 Ų35.347%0.47418%0.177SC..THydrogen-bonded Turntrans-59-19.1172.7-26.237.4000114.9K59 G167K59-P165 HydrophobicContact CB-CB 4.1Å; K59-P165 HydrophobicContact CB-CG 4.15Å; K59-P165 HydrophobicContact CD-CB 4.19Å; P165-G167 VanDerWaalsContact C-N 3.31Å
166E85.9Confident92.8Very high140 Ų14042.4 Ų42.465%0.65420%0.204SC*.THydrogen-bonded Turntrans-88.44.6173.1-48.470.2-144.400112.7T164T164-E166 WeakPolarHBondContact CB-OE2 3.44Å; T164-E166 PolarHBondContact O-N 3.36Å; T164-E166 VanDerWaalsContact O-N 3.12Å; T164-E166 PolarHBondContact OG1-N 3.34Å; T164-E166 PolarHBondContact OG1-OE2 2.94Å
167G87.9Confident92.6Very high26 Ų2642.7 Ų42.727%0.26821%0.207SC..SBendtrans79.710.2177.300000115.6T164 P165 Q204T164-G167 WeakPolarHBondContact O-CA 3.07Å; T164-G167 PolarHBondContact O-N 3.21Å; P165-G167 VanDerWaalsContact C-N 3.31Å; G167-Q204 WeakPolarHBondContact O-CG 3.25Å; G167-Q204 PolarHBondContact O-NE2 2.89Å
168R93.1Very high92.5Very high99 Ų9942.5 Ų42.537%0.37421%0.205SC..  trans-94.4148.2-176-60.6174.368.6114.3-1112.1V163 T164 P170 S201 I202V163-R168 CarbonylContact C-O 3.55Å; V163-R168 VanDerWaalsContact CA-O 3.27Å; V163-R168 WeakPolarHBondContact CA-O 3.26Å; V163-R168 WeakPolarHBondContact CB-O 3.19Å; T164-R168 PolarHBondContact N-O 2.86Å; T164-R168 PolarHBondContact OG1-N 2.95Å; R168-P170 WeakPolarHBondContact O-CD 3.39Å; R168-S201 WeakPolarHBondContact CB-OG 3.43Å; R168-S201 WeakPolarHBondContact CD-OG 3.17Å; R168-S201 PolarHBondContact NE-O 3.14Å; R168-S201 PolarHBondContact NE-OG 3.25Å; R168-S201 PolarHBondContact NH2-O 3.01Å; R168-I202 CarbonylContact C-O 3.46Å; R168-I202 WeakPolarHBondContact CA-O 3.35Å; R168-I202 WeakPolarHBondContact CB-O 3.34Å
169I94.6Very high92.3Very high0 Ų041.3 Ų41.30%020%0.204CC..EExtended strand (participates in β ladder)trans-79115.1178.2-56.1175.7000109.4L159 K160 V163 S201 I202 Q204 F207L159-I169 HydrophobicContact CB-CG2 4.46Å; K160-I169 HydrophobicContact CD-CD1 4Å; K160-I169 HydrophobicContact CG-CD1 4.46Å; V163-I169 HydrophobicContact CG1-CG1 4.29Å; I169-S201 CarbonylContact O-C 3.58Å; I169-S201 WeakPolarHBondContact O-CA 3.36Å; I169-S201 VanDerWaalsContact O-CB 3.32Å; I169-S201 WeakPolarHBondContact O-CB 3.48Å; I169-I202 PolarHBondContact N-O 2.92Å; I169-I202 PolarHBondContact O-N 3.08Å; I169-Q204 HydrophobicContact CD1-CG 4.27Å; I169-Q204 HydrophobicContact CG1-CG 4.01Å; I169-F207 HydrophobicContact CD1-CB 3.9Å; I169-F207 HydrophobicContact CD1-CD1 3.67Å; I169-F207 HydrophobicContact CD1-CG 4.04Å
170P94.4Very high92.1Very high9 Ų941.7 Ų41.76%0.05821%0.208CC..EExtended strand (participates in β ladder)trans-74129.8-179.4-12.628000111.9Q162 T164 R168 K172 N173Q162-P170 WeakPolarHBondContact O-CD 3.39Å; T164-P170 HydrophobicContact CG2-CB 4.5Å; T164-P170 HydrophobicContact CG2-CG 3.78Å; R168-P170 WeakPolarHBondContact O-CD 3.39Å; P170-K172 HydrophobicContact CB-CD 4.23Å; P170-K172 HydrophobicContact CB-CG 3.55Å; P170-K172 PolarHBondContact O-N 2.98Å; P170-N173 WeakPolarHBondContact O-CB 3.39Å; P170-N173 PolarHBondContact O-N 2.87Å
171L94.3Very high91.9Very high0 Ų041.8 Ų41.80%021%0.21CC..Hα-helixtrans-61.9-29177.8-91.274.7000112.5N173 I174 Y175 L189 P195 S197 D200 I202L171-N173 PolarHBondContact O-N 3.42Å; L171-I174 PolarHBondContact O-N 3.31Å; L171-Y175 HydrophobicContact CB-CD2 4.2Å; L171-Y175 HydrophobicContact CB-CE2 4.14Å; L171-Y175 HydrophobicContact CD2-CE2 4.2Å; L171-Y175 VanDerWaalsContact O-CD2 3.24Å; L171-Y175 WeakPolarHBondContact O-CD2 3.32Å; L171-Y175 PolarHBondContact O-N 2.98Å; L171-L189 HydrophobicContact CD2-CD1 3.84Å; L171-L189 HydrophobicContact CG-CD1 4.4Å; L171-P195 HydrophobicContact CD2-CB 4.45Å; L171-P195 VanDerWaalsContact CD2-O 3.3Å; L171-P195 WeakPolarHBondContact CD2-O 3.3Å; L171-S197 WeakPolarHBondContact CD2-O 3.29Å; L171-D200 HydrophobicContact CD1-CB 4.19Å; L171-D200 HydrophobicContact CD2-CB 4.43Å; L171-D200 PolarHBondContact N-O 3.2Å; L171-I202 HydrophobicContact CD1-CD1 4.06Å; L171-I202 HydrophobicContact CD1-CG1 3.47Å; L171-I202 VanDerWaalsContact CD1-CG1 3.47Å
172K94.2Very high91.8Very high106 Ų10645.4 Ų45.446%0.46122%0.222SC..Hα-helixtrans-49.5-29.4170.562.7170.2-175.4179.80113.4P170 R176 R198P170-K172 HydrophobicContact CB-CD 4.23Å; P170-K172 HydrophobicContact CB-CG 3.55Å; P170-K172 PolarHBondContact O-N 2.98Å; K172-R176 VanDerWaalsContact O-CB 3.31Å; K172-R176 WeakPolarHBondContact O-CB 3.42Å; K172-R176 PolarHBondContact O-N 3.2Å; K172-R198 PolarHBondContact N-O 3.23Å
173N93.5Very high91.9Very high16 Ų1650.9 Ų50.99%0.08625%0.245CC..Hα-helixtrans-81.4-39.5179.1-66.9-21.5000112L159 Q162 P170 L171 R176 L177L159-N173 HydrophobicContact CD2-CB 4.11Å; Q162-N173 WeakPolarHBondContact CB-ND2 3.43Å; Q162-N173 PolarHBondContact O-ND2 3.19Å; P170-N173 WeakPolarHBondContact O-CB 3.39Å; P170-N173 PolarHBondContact O-N 2.87Å; L171-N173 PolarHBondContact O-N 3.42Å; N173-R176 PolarHBondContact O-N 3.44Å; N173-R176 PolarHBondContact OD1-NH2 2.97Å; N173-L177 WeakPolarHBondContact O-CB 3.37Å; N173-L177 PolarHBondContact O-N 3.44Å
174I95.2Very high92Very high0 Ų052.7 Ų52.70%025%0.249CC..Hα-helixtrans-62.8-48.2173.8-53.9179.3000109.8L159 L171 R176 L177 F178 V185 L189 I202 F207 F215L159-I174 HydrophobicContact CD1-CG1 4.14Å; L159-I174 HydrophobicContact CD2-CG1 3.96Å; L171-I174 PolarHBondContact O-N 3.31Å; I174-R176 PolarHBondContact O-N 3.28Å; I174-L177 PolarHBondContact O-N 3.24Å; I174-L177 VanDerWaalsContact O-N 3.1Å; I174-F178 HydrophobicContact CG2-CD2 4.12Å; I174-F178 PolarHBondContact O-N 3.31Å; I174-V185 HydrophobicContact CG2-CG1 3.96Å; I174-L189 HydrophobicContact CD1-CD2 4.31Å; I174-I202 HydrophobicContact CD1-CD1 4.01Å; I174-F207 HydrophobicContact CD1-CE2 4.38Å; I174-F207 HydrophobicContact CD1-CZ 4.29Å; I174-F215 HydrophobicContact CG2-CE1 4.38Å; I174-F215 HydrophobicContact CG2-CE2 4.45Å; I174-F215 HydrophobicContact CG2-CZ 3.79Å
175Y94.6Very high92.4Very high3 Ų351.2 Ų51.21%0.01224%0.239CC..Hα-helixtrans-65-19.7175.4-76.1-64.2000114.9L171 S179 R182 V185 E186 L189 S196 R198L171-Y175 HydrophobicContact CB-CD2 4.2Å; L171-Y175 HydrophobicContact CB-CE2 4.14Å; L171-Y175 HydrophobicContact CD2-CE2 4.2Å; L171-Y175 VanDerWaalsContact O-CD2 3.24Å; L171-Y175 WeakPolarHBondContact O-CD2 3.32Å; L171-Y175 PolarHBondContact O-N 2.98Å; Y175-S179 WeakPolarHBondContact O-CA 3.48Å; Y175-S179 WeakPolarHBondContact O-CB 3.36Å; Y175-R182 HydrophobicContact CD1-CB 4.5Å; Y175-V185 HydrophobicContact CD1-CB 4Å; Y175-V185 HydrophobicContact CD1-CG1 3.75Å; Y175-V185 HydrophobicContact CE1-CB 3.62Å; Y175-V185 HydrophobicContact CE1-CG1 3.42Å; Y175-V185 VanDerWaalsContact CE1-CG1 3.42Å; Y175-V185 HydrophobicContact CG-CG1 4.47Å; Y175-E186 HydrophobicContact CE1-CG 3.9Å; Y175-E186 WeakPolarHBondContact OH-CA 3.01Å; Y175-E186 WeakPolarHBondContact OH-CG 3.49Å; Y175-L189 HydrophobicContact CE2-CD1 4.44Å; Y175-S196 WeakPolarHBondContact CE2-O 3.47Å; Y175-S196 PolarHBondContact OH-O 2.81Å; Y175-R198 HydrophobicContact CD2-CB 3.97Å; Y175-R198 HydrophobicContact CD2-CG 3.94Å; Y175-R198 HydrophobicContact CE2-CB 4.1Å
176R94.1Very high92.9Very high149 Ų14951.2 Ų51.256%0.56223%0.233SC*.Hα-helixtrans-83.9-33.9172.6176.5175.365.8173.9-2.9111.5K172 N173 I174K172-R176 VanDerWaalsContact O-CB 3.31Å; K172-R176 WeakPolarHBondContact O-CB 3.42Å; K172-R176 PolarHBondContact O-N 3.2Å; N173-R176 PolarHBondContact O-N 3.44Å; N173-R176 PolarHBondContact OD1-NH2 2.97Å; I174-R176 PolarHBondContact O-N 3.28Å
177L93.8Very high93.4Very high36 Ų3648.8 Ų48.819%0.18823%0.228CC..Hα-helixtrans-77-35.8-178.8-176.958000112.4A155 L159 N173 I174 M785 L786A155-L177 HydrophobicContact CB-CD2 4.33Å; L159-L177 HydrophobicContact CD1-CD2 3.94Å; L159-L177 HydrophobicContact CD2-CD2 3.92Å; L159-L177 HydrophobicContact CG-CD2 3.83Å; N173-L177 WeakPolarHBondContact O-CB 3.37Å; N173-L177 PolarHBondContact O-N 3.44Å; I174-L177 PolarHBondContact O-N 3.24Å; I174-L177 VanDerWaalsContact O-N 3.1Å; L177-M785 HydrophobicContact CD1-CE 3.49Å; L177-M785 VanDerWaalsContact CD1-CE 3.49Å; L177-L786 HydrophobicContact CD1-CD1 3.59Å; L177-L786 HydrophobicContact CD1-CG 4.37Å; L177-L786 HydrophobicContact CG-CD1 3.93Å
178F94.4Very high93.8Very high11 Ų1147.6 Ų47.65%0.04822%0.216CC..THydrogen-bonded Turntrans-11644.1-179.8-58.9-73000111.9I174 A180 V185 F215 L216 L219 F687 L786I174-F178 HydrophobicContact CG2-CD2 4.12Å; I174-F178 PolarHBondContact O-N 3.31Å; F178-A180 VanDerWaalsContact C-N 3.25Å; F178-A180 PolarHBondContact O-N 2.66Å; F178-V185 HydrophobicContact CB-CG2 3.67Å; F178-F215 HydrophobicContact CD2-CE1 4.04Å; F178-F215 HydrophobicContact CD2-CZ 4.15Å; F178-F215 AromaticContact CE2-CE1 3.81Å; F178-F215 HydrophobicContact CE2-CE1 3.81Å; F178-F215 HydrophobicContact CE2-CZ 4.37Å; F178-F215 HydrophobicContact CZ-CE1 4.43Å; F178-L216 HydrophobicContact CE1-CD2 4.18Å; F178-L216 HydrophobicContact CZ-CD2 3.92Å; F178-L219 HydrophobicContact CB-CD2 3.98Å; F178-L219 HydrophobicContact CD1-CD2 3.63Å; F178-L219 HydrophobicContact CD2-CD2 4.14Å; F178-L219 HydrophobicContact CE1-CD2 4.1Å; F178-L219 HydrophobicContact CG-CD2 3.64Å; F178-F687 AromaticContact CD1-CD1 3.92Å; F178-F687 HydrophobicContact CD1-CD1 3.92Å; F178-F687 AromaticContact CD1-CE1 3.83Å; F178-F687 HydrophobicContact CD1-CE1 3.83Å; F178-F687 HydrophobicContact CD1-CG 4.48Å; F178-F687 HydrophobicContact CD1-CZ 4.33Å; F178-F687 HydrophobicContact CE1-CD1 4.14Å; F178-F687 HydrophobicContact CE1-CD2 4.38Å; F178-F687 AromaticContact CE1-CE1 3.92Å; F178-F687 HydrophobicContact CE1-CE1 3.92Å; F178-F687 HydrophobicContact CE1-CE2 4.19Å; F178-F687 HydrophobicContact CE1-CG 4.37Å; F178-F687 AromaticContact CE1-CZ 3.95Å; F178-F687 HydrophobicContact CE1-CZ 3.95Å; F178-L786 HydrophobicContact CD1-CD1 4.11Å; F178-L786 HydrophobicContact CE1-CD1 3.74Å; F178-L786 HydrophobicContact CE1-CD2 4.16Å; F178-L786 HydrophobicContact CZ-CD1 4.36Å
179S92Very high93.9Very high36 Ų3642.9 Ų42.925%0.25220%0.198SC..THydrogen-bonded Turntrans-67.5-15.4-168.952.40000116Y175 D181 D690Y175-S179 WeakPolarHBondContact O-CA 3.48Å; Y175-S179 WeakPolarHBondContact O-CB 3.36Å; S179-D181 PolarHBondContact O-N 3.25Å; S179-D690 CarbonylContact C-O 3.58Å; S179-D690 WeakPolarHBondContact CB-O 3.35Å; S179-D690 PolarHBondContact OG-O 3.17Å
180A89.3Confident93.9Very high10 Ų1048 Ų488%0.08322%0.222CC..THydrogen-bonded Turntrans-66-30.1-173.200000114.7F178 S689 D690 K692 V723F178-A180 VanDerWaalsContact C-N 3.25Å; F178-A180 PolarHBondContact O-N 2.66Å; A180-S689 WeakPolarHBondContact CB-O 3.15Å; A180-D690 PolarHBondContact N-O 3.5Å; A180-K692 WeakPolarHBondContact O-CB 3.36Å; A180-V723 HydrophobicContact CB-CG2 3.76Å
181D90.8Very high94Very high37 Ų3750.2 Ų50.220%0.19824%0.241CC..  trans-143.6102165.3-160.6-49.8000111.7S179 K183 R184 V185 K692 V723S179-D181 PolarHBondContact O-N 3.25Å; D181-K183 PolarHBondContact OD1-N 2.98Å; D181-K183 VanDerWaalsContact OD1-N 3.15Å; D181-R184 HydrophobicContact CB-CB 3.96Å; D181-R184 PolarHBondContact O-N 3.28Å; D181-R184 PolarHBondContact OD1-N 3.27Å; D181-V185 PolarHBondContact O-N 3.03Å; D181-K692 IonicContact OD2-NZ 3.45Å; D181-K692 PolarHBondContact OD2-NZ 3.32Å; D181-V723 HydrophobicContact CB-CG2 4.27Å
182R91.6Very high94Very high100 Ų10051.2 Ų51.238%0.37725%0.248SC..Hα-helixtrans-65.1-40.5-175.7-48.1-176.475.410015.8112.3Y175 R184 V185 E186Y175-R182 HydrophobicContact CD1-CB 4.5Å; R182-R184 VanDerWaalsContact C-N 3.26Å; R182-R184 PolarHBondContact O-N 3.49Å; R182-V185 WeakPolarHBondContact O-CB 3.4Å; R182-V185 PolarHBondContact O-N 3.16Å; R182-V185 VanDerWaalsContact O-N 3.12Å; R182-E186 WeakPolarHBondContact O-CG 3.41Å; R182-E186 PolarHBondContact O-N 3.37Å
183K92.4Very high94Very high155 Ų15551.9 Ų51.967%0.67427%0.266SS*.Hα-helixtrans-65-35.1179.8-69.8-168.5171.4-1670111.5D181 V185 E186 T187D181-K183 PolarHBondContact OD1-N 2.98Å; D181-K183 VanDerWaalsContact OD1-N 3.15Å; K183-V185 VanDerWaalsContact C-N 3.32Å; K183-E186 WeakPolarHBondContact CA-OE2 3.41Å; K183-E186 WeakPolarHBondContact O-CB 3.41Å; K183-E186 PolarHBondContact O-N 3.29Å; K183-T187 PolarHBondContact O-N 2.75Å; K183-T187 PolarHBondContact O-OG1 2.9Å
184R93.8Very high94Very high69 Ų6952 Ų5226%0.2627%0.266SS..Hα-helixtrans-67.5-33.5175.5-150.8177.9-163.4172.94.6112.6D181 R182 A188 L219 N724D181-R184 HydrophobicContact CB-CB 3.96Å; D181-R184 PolarHBondContact O-N 3.28Å; D181-R184 PolarHBondContact OD1-N 3.27Å; R182-R184 VanDerWaalsContact C-N 3.26Å; R182-R184 PolarHBondContact O-N 3.49Å; R184-A188 WeakPolarHBondContact O-CB 3.45Å; R184-A188 PolarHBondContact O-N 3.42Å; R184-L219 HydrophobicContact CB-CD1 4.03Å; R184-L219 WeakPolarHBondContact CD-O 3.38Å; R184-L219 HydrophobicContact CG-CD1 4.06Å; R184-L219 PolarHBondContact NE-O 3.17Å; R184-L219 VanDerWaalsContact NE-O 3.09Å; R184-N724 PolarHBondContact NH1-OD1 3.1Å; R184-N724 PolarHBondContact NH2-ND2 3.16Å; R184-N724 PolarHBondContact NH2-OD1 2.72Å; R184-N724 VanDerWaalsContact NH2-OD1 3.13Å
185V95.4Very high93.9Very high0 Ų054.4 Ų54.40%028%0.282CS..Hα-helixtrans-70.3-42171.6177.10000111.1I174 Y175 F178 D181 R182 K183 A188 L189 F215 L219I174-V185 HydrophobicContact CG2-CG1 3.96Å; Y175-V185 HydrophobicContact CD1-CB 4Å; Y175-V185 HydrophobicContact CD1-CG1 3.75Å; Y175-V185 HydrophobicContact CE1-CB 3.62Å; Y175-V185 HydrophobicContact CE1-CG1 3.42Å; Y175-V185 VanDerWaalsContact CE1-CG1 3.42Å; Y175-V185 HydrophobicContact CG-CG1 4.47Å; F178-V185 HydrophobicContact CB-CG2 3.67Å; D181-V185 PolarHBondContact O-N 3.03Å; R182-V185 WeakPolarHBondContact O-CB 3.4Å; R182-V185 PolarHBondContact O-N 3.16Å; R182-V185 VanDerWaalsContact O-N 3.12Å; K183-V185 VanDerWaalsContact C-N 3.32Å; V185-A188 PolarHBondContact O-N 2.98Å; V185-L189 HydrophobicContact CG1-CD1 3.97Å; V185-L189 HydrophobicContact CG1-CG 4.44Å; V185-L189 WeakPolarHBondContact O-CG 3.46Å; V185-L189 PolarHBondContact O-N 2.95Å; V185-F215 HydrophobicContact CG1-CE2 4.19Å; V185-F215 HydrophobicContact CG1-CZ 4.21Å; V185-L219 HydrophobicContact CG2-CD1 3.67Å; V185-L219 HydrophobicContact CG2-CD2 4.44Å
186E95.4Very high93.7Very high73 Ų7355.8 Ų55.834%0.34129%0.292SS..Hα-helixtrans-54-56.5174.3-69.9156.4-167.600110.3Y175 R182 K183 A188 L189 E190Y175-E186 HydrophobicContact CE1-CG 3.9Å; Y175-E186 WeakPolarHBondContact OH-CA 3.01Å; Y175-E186 WeakPolarHBondContact OH-CG 3.49Å; R182-E186 WeakPolarHBondContact O-CG 3.41Å; R182-E186 PolarHBondContact O-N 3.37Å; K183-E186 WeakPolarHBondContact CA-OE2 3.41Å; K183-E186 WeakPolarHBondContact O-CB 3.41Å; K183-E186 PolarHBondContact O-N 3.29Å; E186-A188 PolarHBondContact O-N 3.21Å; E186-L189 PolarHBondContact O-N 3.35Å; E186-E190 WeakPolarHBondContact O-CG 3.49Å; E186-E190 PolarHBondContact O-N 3.41Å; E186-E190 VanDerWaalsContact O-N 3.13Å
187T95.9Very high93.5Very high89 Ų8951.3 Ų51.355%0.54628%0.284SS..Hα-helixtrans-64.5-35.5178.7-53.80000113.6K183 E190 A191K183-T187 PolarHBondContact O-N 2.75Å; K183-T187 PolarHBondContact O-OG1 2.9Å; T187-E190 PolarHBondContact O-N 3.02Å; T187-A191 WeakPolarHBondContact O-CB 3.24Å; T187-A191 PolarHBondContact O-N 3.16Å
188A96.3Very high93.2Very high2 Ų256.3 Ų56.32%0.01730%0.3CS..Hα-helixtrans-70.5-30.5178.700000113.1R184 V185 E186 C192 F215 N218 L219R184-A188 WeakPolarHBondContact O-CB 3.45Å; R184-A188 PolarHBondContact O-N 3.42Å; V185-A188 PolarHBondContact O-N 2.98Å; E186-A188 PolarHBondContact O-N 3.21Å; A188-C192 PolarHBondContact O-SG 3.38Å; A188-F215 HydrophobicContact CB-CD2 3.74Å; A188-F215 HydrophobicContact CB-CE2 3.79Å; A188-N218 HydrophobicContact CB-CB 3.92Å; A188-L219 HydrophobicContact CB-CB 3.99Å
189L96.1Very high93Very high0 Ų062.7 Ų62.70%034%0.335CS..Hα-helixtrans-71.7-43.2172-70.7167.2000111.2L171 I174 Y175 V185 E186 A191 C192 S193 L194 I202 F215L171-L189 HydrophobicContact CD2-CD1 3.84Å; L171-L189 HydrophobicContact CG-CD1 4.4Å; I174-L189 HydrophobicContact CD1-CD2 4.31Å; Y175-L189 HydrophobicContact CE2-CD1 4.44Å; V185-L189 HydrophobicContact CG1-CD1 3.97Å; V185-L189 HydrophobicContact CG1-CG 4.44Å; V185-L189 WeakPolarHBondContact O-CG 3.46Å; V185-L189 PolarHBondContact O-N 2.95Å; E186-L189 PolarHBondContact O-N 3.35Å; L189-A191 VanDerWaalsContact C-N 3.35Å; L189-A191 PolarHBondContact O-N 3.08Å; L189-C192 CarbonylContact O-C 3.59Å; L189-C192 WeakPolarHBondContact O-CA 3.43Å; L189-C192 WeakPolarHBondContact O-CB 3.41Å; L189-C192 PolarHBondContact O-N 2.78Å; L189-S193 PolarHBondContact O-N 2.91Å; L189-L194 HydrophobicContact CB-CB 4.38Å; L189-L194 HydrophobicContact CD2-CB 4.25Å; L189-L194 HydrophobicContact CD2-CD1 3.88Å; L189-L194 PolarHBondContact O-N 3.16Å; L189-I202 HydrophobicContact CD2-CD1 4.42Å; L189-F215 HydrophobicContact CD2-CD2 3.94Å; L189-F215 HydrophobicContact CD2-CE2 3.91Å; L189-F215 HydrophobicContact CG-CD2 4.19Å; L189-F215 HydrophobicContact CG-CE2 3.89Å
190E95.4Very high93.1Very high108 Ų10864.1 Ų64.151%0.50534%0.339SS..Hα-helixtrans-61.8-41.1177-72.2163.6-17400111.9E186 T187 C192 S193 S196E186-E190 WeakPolarHBondContact O-CG 3.49Å; E186-E190 PolarHBondContact O-N 3.41Å; E186-E190 VanDerWaalsContact O-N 3.13Å; T187-E190 PolarHBondContact O-N 3.02Å; E190-C192 PolarHBondContact O-N 3.42Å; E190-S193 PolarHBondContact O-N 3.48Å; E190-S196 VanDerWaalsContact OE1-CB 3.3Å; E190-S196 WeakPolarHBondContact OE1-CB 3.49Å; E190-S196 PolarHBondContact OE1-OG 2.92Å
191A95.2Very high93.3Very high54 Ų5464.9 Ų64.945%0.44634%0.344SS..THydrogen-bonded Turntrans-61.5-21.7172.800000113.7T187 L189 N218T187-A191 WeakPolarHBondContact O-CB 3.24Å; T187-A191 PolarHBondContact O-N 3.16Å; L189-A191 VanDerWaalsContact C-N 3.35Å; L189-A191 PolarHBondContact O-N 3.08Å; A191-N218 HydrophobicContact CB-CB 4.4Å
192C94.7Very high93.5Very high22 Ų2263.1 Ų63.115%0.14933%0.334CS..THydrogen-bonded Turntrans-93.44.6174.6-61.10000113.3A188 L189 E190 L194 V211 F215A188-C192 PolarHBondContact O-SG 3.38Å; L189-C192 CarbonylContact O-C 3.59Å; L189-C192 WeakPolarHBondContact O-CA 3.43Å; L189-C192 WeakPolarHBondContact O-CB 3.41Å; L189-C192 PolarHBondContact O-N 2.78Å; E190-C192 PolarHBondContact O-N 3.42Å; C192-L194 HydrophobicContact CB-CD1 3.73Å; C192-L194 HydrophobicContact CB-CG 3.8Å; C192-L194 PolarHBondContact O-N 2.68Å; C192-V211 HydrophobicContact CB-CG1 4.31Å; C192-F215 WeakPolarHBondContact SG-CA 3.46Å; C192-F215 PolarHBondContact SG-N 3.3Å; C192-F215 VanDerWaalsContact SG-N 3.42Å
193S94.1Very high93.7Very high119 Ų11959.3 Ų59.383%0.83232%0.323SS*.THydrogen-bonded Turntrans57.825.5-170.5-53.30000114.4L189 E190L189-S193 PolarHBondContact O-N 2.91Å; E190-S193 PolarHBondContact O-N 3.48Å
194L93.9Very high93.7Very high20 Ų2055.3 Ų55.311%0.10531%0.306CS..  trans-91.6159.5176.4-61.7172.3000110.5L189 C192 I202 F207 V211L189-L194 HydrophobicContact CB-CB 4.38Å; L189-L194 HydrophobicContact CD2-CB 4.25Å; L189-L194 HydrophobicContact CD2-CD1 3.88Å; L189-L194 PolarHBondContact O-N 3.16Å; C192-L194 HydrophobicContact CB-CD1 3.73Å; C192-L194 HydrophobicContact CB-CG 3.8Å; C192-L194 PolarHBondContact O-N 2.68Å; L194-I202 HydrophobicContact CB-CD1 4.38Å; L194-I202 HydrophobicContact CD1-CD1 4.08Å; L194-I202 HydrophobicContact CD2-CD1 4.41Å; L194-I202 HydrophobicContact CD2-CG2 3.96Å; L194-F207 HydrophobicContact CD1-CD2 3.9Å; L194-F207 HydrophobicContact CD1-CE2 4.06Å; L194-V211 HydrophobicContact CD1-CG1 3.87Å; L194-V211 HydrophobicContact CD2-CG1 4.4Å; L194-V211 HydrophobicContact CG-CG1 4.41Å
195P92.5Very high93.6Very high49 Ų4958.9 Ų58.932%0.31833%0.326SS..  trans-54149.1165.4-2232.9000110.8L171 D200L171-P195 HydrophobicContact CD2-CB 4.45Å; L171-P195 VanDerWaalsContact CD2-O 3.3Å; L171-P195 WeakPolarHBondContact CD2-O 3.3Å; P195-D200 HydrophobicContact CB-CB 4.09Å
196S91.2Very high93.6Very high32 Ų3263 Ų6322%0.22435%0.348CS..  trans-119.8-17.5177.763.40000114.6Y175 E190 R198Y175-S196 WeakPolarHBondContact CE2-O 3.47Å; Y175-S196 PolarHBondContact OH-O 2.81Å; E190-S196 VanDerWaalsContact OE1-CB 3.3Å; E190-S196 WeakPolarHBondContact OE1-CB 3.49Å; E190-S196 PolarHBondContact OE1-OG 2.92Å; S196-R198 PolarHBondContact O-N 2.93Å
197S90.1Very high93.6Very high56 Ų5659.5 Ų59.539%0.39233%0.332SS..  trans-66.8131.6-179.5144.80000112L171 N199 D200L171-S197 WeakPolarHBondContact CD2-O 3.29Å; S197-N199 PolarHBondContact O-N 3.09Å; S197-D200 VanDerWaalsContact CB-CG 3.45Å; S197-D200 WeakPolarHBondContact CB-OD1 3.4Å; S197-D200 WeakPolarHBondContact CB-OD2 3.47Å; S197-D200 VanDerWaalsContact O-CB 3.32Å; S197-D200 WeakPolarHBondContact O-CB 3.48Å; S197-D200 PolarHBondContact O-N 3.08Å; S197-D200 PolarHBondContact OG-OD1 3.45Å
198R87.3Confident93.6Very high141 Ų14157.3 Ų57.353%0.53232%0.318SS..THydrogen-bonded Turntrans-52.1-30.1-174.4-179.8-176.6176-168.7-4.8114.8K172 Y175 S196K172-R198 PolarHBondContact N-O 3.23Å; Y175-R198 HydrophobicContact CD2-CB 3.97Å; Y175-R198 HydrophobicContact CD2-CG 3.94Å; Y175-R198 HydrophobicContact CE2-CB 4.1Å; S196-R198 PolarHBondContact O-N 2.93Å
199N90.4Very high93.4Very high145 Ų14559.8 Ų59.878%0.77533%0.334SS*.THydrogen-bonded Turntrans-91.3-5.9-174.6-64.8-15000113S197S197-N199 PolarHBondContact O-N 3.09Å
200D93.1Very high93.2Very high66 Ų6665.1 Ų65.135%0.35336%0.359SS..  trans-78.2177.7-176.6-55.96.5000110.9L171 P195 S197L171-D200 HydrophobicContact CD1-CB 4.19Å; L171-D200 HydrophobicContact CD2-CB 4.43Å; L171-D200 PolarHBondContact N-O 3.2Å; P195-D200 HydrophobicContact CB-CB 4.09Å; S197-D200 VanDerWaalsContact CB-CG 3.45Å; S197-D200 WeakPolarHBondContact CB-OD1 3.4Å; S197-D200 WeakPolarHBondContact CB-OD2 3.47Å; S197-D200 VanDerWaalsContact O-CB 3.32Å; S197-D200 WeakPolarHBondContact O-CB 3.48Å; S197-D200 PolarHBondContact O-N 3.08Å; S197-D200 PolarHBondContact OG-OD1 3.45Å
201S94Very high93.2Very high25 Ų2561.8 Ų61.818%0.17535%0.346CS..EExtended strand (participates in β ladder)trans-144.4146.9172.261.80000112.5R168 I169R168-S201 WeakPolarHBondContact CB-OG 3.43Å; R168-S201 WeakPolarHBondContact CD-OG 3.17Å; R168-S201 PolarHBondContact NE-O 3.14Å; R168-S201 PolarHBondContact NE-OG 3.25Å; R168-S201 PolarHBondContact NH2-O 3.01Å; I169-S201 CarbonylContact O-C 3.58Å; I169-S201 WeakPolarHBondContact O-CA 3.36Å; I169-S201 VanDerWaalsContact O-CB 3.32Å; I169-S201 WeakPolarHBondContact O-CB 3.48Å
202I95.1Very high93.3Very high0 Ų059.7 Ų59.70%033%0.326CS..EExtended strand (participates in β ladder)trans-99136.6180-39.2-176.2000109R168 I169 L171 I174 L189 L194 D206 F207R168-I202 CarbonylContact C-O 3.46Å; R168-I202 WeakPolarHBondContact CA-O 3.35Å; R168-I202 WeakPolarHBondContact CB-O 3.34Å; I169-I202 PolarHBondContact N-O 2.92Å; I169-I202 PolarHBondContact O-N 3.08Å; L171-I202 HydrophobicContact CD1-CD1 4.06Å; L171-I202 HydrophobicContact CD1-CG1 3.47Å; L171-I202 VanDerWaalsContact CD1-CG1 3.47Å; I174-I202 HydrophobicContact CD1-CD1 4.01Å; L189-I202 HydrophobicContact CD2-CD1 4.42Å; L194-I202 HydrophobicContact CB-CD1 4.38Å; L194-I202 HydrophobicContact CD1-CD1 4.08Å; L194-I202 HydrophobicContact CD2-CD1 4.41Å; L194-I202 HydrophobicContact CD2-CG2 3.96Å; I202-D206 HydrophobicContact CG2-CB 4.01Å; I202-F207 HydrophobicContact CD1-CD2 3.96Å; I202-F207 HydrophobicContact CD1-CE2 4.28Å; I202-F207 HydrophobicContact CG2-CB 4.32Å
203P94.4Very high93.2Very high20 Ų2061.7 Ų61.713%0.1333%0.331CS..  trans-54.5153.1162.7-2336.1000111.3E205 D206P203-E205 VanDerWaalsContact C-N 3.35Å; P203-E205 HydrophobicContact CB-CG 3.84Å; P203-E205 VanDerWaalsContact CB-OE2 3.31Å; P203-E205 WeakPolarHBondContact CB-OE2 3.42Å; P203-D206 VanDerWaalsContact CD-OD2 3.24Å; P203-D206 WeakPolarHBondContact CD-OD2 3.07Å; P203-D206 WeakPolarHBondContact CG-OD2 3.37Å
204Q92.4Very high93.2Very high71 Ų7159.4 Ų59.433%0.33231%0.312SS..THydrogen-bonded Turntrans-74.8-31.3-178.6-80-175.968.400111.9K160 V163 G167 I169 F207K160-Q204 HydrophobicContact CD-CG 4.35Å; K160-Q204 PolarHBondContact NZ-O 3.26Å; V163-Q204 HydrophobicContact CG1-CG 4.28Å; G167-Q204 WeakPolarHBondContact O-CG 3.25Å; G167-Q204 PolarHBondContact O-NE2 2.89Å; I169-Q204 HydrophobicContact CD1-CG 4.27Å; I169-Q204 HydrophobicContact CG1-CG 4.01Å; Q204-F207 PolarHBondContact O-N 3.39Å
205E93.6Very high93.4Very high145 Ų14558.5 Ų58.568%0.67831%0.307SS*.THydrogen-bonded Turntrans-60.8-40.8175.951.7-89.8-131.500112.4P203 F207 T208P203-E205 VanDerWaalsContact C-N 3.35Å; P203-E205 HydrophobicContact CB-CG 3.84Å; P203-E205 VanDerWaalsContact CB-OE2 3.31Å; P203-E205 WeakPolarHBondContact CB-OE2 3.42Å; E205-F207 VanDerWaalsContact C-N 3.35Å; E205-F207 PolarHBondContact O-N 3.31Å; E205-T208 WeakPolarHBondContact O-CG2 3.23Å
206D94.1Very high93.5Very high85 Ų8557 Ų5746%0.45530%0.296SS..THydrogen-bonded Turntrans-73.2-25.6-178.6-61.4-21.8000113.1I202 P203 T208I202-D206 HydrophobicContact CG2-CB 4.01Å; P203-D206 VanDerWaalsContact CD-OD2 3.24Å; P203-D206 WeakPolarHBondContact CD-OD2 3.07Å; P203-D206 WeakPolarHBondContact CG-OD2 3.37Å; D206-T208 PolarHBondContact O-N 2.9Å
207F95.3Very high93.6Very high0 Ų058.7 Ų58.70%030%0.303CS..SBendtrans-95.763.2-176.2-161-112000111.4Y156 L159 K160 I169 I174 L194 I202 Q204 E205 Y212Y156-F207 HydrophobicContact CD2-CD1 4.16Å; Y156-F207 AromaticContact CD2-CE1 3.95Å; Y156-F207 HydrophobicContact CD2-CE1 3.95Å; Y156-F207 AromaticContact CE2-CD1 3.87Å; Y156-F207 HydrophobicContact CE2-CD1 3.87Å; Y156-F207 HydrophobicContact CE2-CE1 4.13Å; Y156-F207 WeakPolarHBondContact CE2-O 3.12Å; Y156-F207 PolarHBondContact OH-O 2.85Å; L159-F207 HydrophobicContact CD1-CE1 4.14Å; L159-F207 HydrophobicContact CD1-CZ 4.27Å; K160-F207 WeakPolarHBondContact CE-O 3.47Å; K160-F207 PolarHBondContact NZ-O 3.13Å; I169-F207 HydrophobicContact CD1-CB 3.9Å; I169-F207 HydrophobicContact CD1-CD1 3.67Å; I169-F207 HydrophobicContact CD1-CG 4.04Å; I174-F207 HydrophobicContact CD1-CE2 4.38Å; I174-F207 HydrophobicContact CD1-CZ 4.29Å; L194-F207 HydrophobicContact CD1-CD2 3.9Å; L194-F207 HydrophobicContact CD1-CE2 4.06Å; I202-F207 HydrophobicContact CD1-CD2 3.96Å; I202-F207 HydrophobicContact CD1-CE2 4.28Å; I202-F207 HydrophobicContact CG2-CB 4.32Å; Q204-F207 PolarHBondContact O-N 3.39Å; E205-F207 VanDerWaalsContact C-N 3.35Å; E205-F207 PolarHBondContact O-N 3.31Å; F207-Y212 AromaticContact CE1-CD2 3.94Å; F207-Y212 HydrophobicContact CE1-CD2 3.94Å; F207-Y212 AromaticContact CZ-CD2 3.65Å; F207-Y212 HydrophobicContact CZ-CD2 3.65Å; F207-Y212 HydrophobicContact CZ-CE2 4.4Å
208T95.4Very high93.9Very high43 Ų4359.5 Ų59.526%0.26430%0.303SS..  trans-70.6167.1-17987.20000112.6E205 D206 E210 V211 Y212E205-T208 WeakPolarHBondContact O-CG2 3.23Å; D206-T208 PolarHBondContact O-N 2.9Å; T208-E210 VanDerWaalsContact CB-OE2 3.26Å; T208-E210 WeakPolarHBondContact CB-OE2 3.45Å; T208-E210 PolarHBondContact O-N 2.96Å; T208-E210 PolarHBondContact OG1-N 3.48Å; T208-E210 PolarHBondContact OG1-OE2 2.69Å; T208-V211 HydrophobicContact CG2-CG2 4.42Å; T208-V211 PolarHBondContact O-N 2.91Å; T208-V211 PolarHBondContact OG1-N 3.32Å; T208-Y212 WeakPolarHBondContact O-CB 3.42Å; T208-Y212 PolarHBondContact O-N 2.9Å
209P93.2Very high94.2Very high54 Ų5452.9 Ų52.935%0.35128%0.278SS..Hα-helixtrans-59.2-31.8173.3-22.934.8000113.4Y156 R213Y156-P209 HydrophobicContact CE1-CG 4.16Å; Y156-P209 WeakPolarHBondContact OH-CD 3.43Å; P209-R213 WeakPolarHBondContact O-CG 3.43Å; P209-R213 PolarHBondContact O-N 3.14Å
210E92.1Very high94.5Very high113 Ų11346.3 Ų46.353%0.52824%0.243SC..Hα-helixtrans-70.1-47.2176.8-58.764.2-134.100110.3T208 Y212 R213 V214T208-E210 VanDerWaalsContact CB-OE2 3.26Å; T208-E210 WeakPolarHBondContact CB-OE2 3.45Å; T208-E210 PolarHBondContact O-N 2.96Å; T208-E210 PolarHBondContact OG1-N 3.48Å; T208-E210 PolarHBondContact OG1-OE2 2.69Å; E210-Y212 VanDerWaalsContact C-N 3.28Å; E210-Y212 PolarHBondContact O-N 2.97Å; E210-R213 PolarHBondContact O-N 3.49Å; E210-R213 VanDerWaalsContact O-N 3.15Å; E210-V214 WeakPolarHBondContact O-CG2 3.48Å; E210-V214 PolarHBondContact O-N 3.49Å
211V95.7Very high94.5Very high38 Ų3845.7 Ų45.723%0.2324%0.243CC..Hα-helixtrans-60.5-40.1174.4176.30000110.6C192 L194 T208 V214 F215C192-V211 HydrophobicContact CB-CG1 4.31Å; L194-V211 HydrophobicContact CD1-CG1 3.87Å; L194-V211 HydrophobicContact CD2-CG1 4.4Å; L194-V211 HydrophobicContact CG-CG1 4.41Å; T208-V211 HydrophobicContact CG2-CG2 4.42Å; T208-V211 PolarHBondContact O-N 2.91Å; T208-V211 PolarHBondContact OG1-N 3.32Å; V211-V214 PolarHBondContact O-N 2.73Å; V211-F215 WeakPolarHBondContact O-CB 3.4Å; V211-F215 PolarHBondContact O-N 2.92Å
212Y96.1Very high94.5Very high9 Ų945.3 Ų45.34%0.03524%0.238CC..Hα-helixtrans-64.3-38.8174.5-179.4-113.3000113L152 Y156 L159 F207 T208 E210 F215 L216L152-Y212 WeakPolarHBondContact O-CE1 3.43Å; L152-Y212 PolarHBondContact O-OH 2.95Å; Y156-Y212 AromaticContact CD2-CD1 3.87Å; Y156-Y212 HydrophobicContact CD2-CD1 3.87Å; Y156-Y212 HydrophobicContact CD2-CD2 4.12Å; Y156-Y212 AromaticContact CD2-CG 3.63Å; Y156-Y212 HydrophobicContact CD2-CG 3.63Å; Y156-Y212 HydrophobicContact CE2-CG 4.42Å; Y156-Y212 HydrophobicContact CG-CD1 4.11Å; Y156-Y212 HydrophobicContact CG-CE1 4.44Å; Y156-Y212 HydrophobicContact CG-CG 4.33Å; L159-Y212 HydrophobicContact CD1-CE2 4.32Å; F207-Y212 AromaticContact CE1-CD2 3.94Å; F207-Y212 HydrophobicContact CE1-CD2 3.94Å; F207-Y212 AromaticContact CZ-CD2 3.65Å; F207-Y212 HydrophobicContact CZ-CD2 3.65Å; F207-Y212 HydrophobicContact CZ-CE2 4.4Å; T208-Y212 WeakPolarHBondContact O-CB 3.42Å; T208-Y212 PolarHBondContact O-N 2.9Å; E210-Y212 VanDerWaalsContact C-N 3.28Å; E210-Y212 PolarHBondContact O-N 2.97Å; Y212-F215 HydrophobicContact CD2-CD1 4.02Å; Y212-F215 HydrophobicContact CE2-CD1 4.14Å; Y212-F215 HydrophobicContact CE2-CE1 4.4Å; Y212-F215 WeakPolarHBondContact O-CB 3.28Å; Y212-F215 PolarHBondContact O-N 3.15Å; Y212-L216 HydrophobicContact CD1-CD1 4.04Å; Y212-L216 HydrophobicContact CD1-CG 4.44Å; Y212-L216 HydrophobicContact CE1-CD1 3.48Å; Y212-L216 VanDerWaalsContact CE1-CD1 3.48Å; Y212-L216 HydrophobicContact CE1-CG 4.07Å; Y212-L216 HydrophobicContact CE2-CD1 4.44Å; Y212-L216 HydrophobicContact CE2-CD2 4.25Å; Y212-L216 HydrophobicContact CE2-CG 4.17Å; Y212-L216 WeakPolarHBondContact O-CG 3.25Å; Y212-L216 PolarHBondContact O-N 3.39Å
213R92.8Very high94.3Very high65 Ų6548.6 Ų48.625%0.24526%0.259CS..Hα-helixtrans-65.5-41.5172.9-79-179.3169.6128-3.6112.2D149 P209 E210 F215 L216 N217D149-R213 IonicContact OD1-CZ 3.79Å; D149-R213 IonicContact OD1-NE 2.85Å; D149-R213 IonicContact OD1-NH2 3.67Å; D149-R213 PolarHBondContact OD1-NH2 2.67Å; D149-R213 IonicContact OD2-NH2 2.89Å; D149-R213 PolarHBondContact OD2-NH2 3.09Å; P209-R213 WeakPolarHBondContact O-CG 3.43Å; P209-R213 PolarHBondContact O-N 3.14Å; E210-R213 PolarHBondContact O-N 3.49Å; E210-R213 VanDerWaalsContact O-N 3.15Å; R213-F215 VanDerWaalsContact C-N 3.34Å; R213-F215 PolarHBondContact O-N 2.85Å; R213-L216 PolarHBondContact O-N 2.99Å; R213-N217 WeakPolarHBondContact O-CB 3.21Å; R213-N217 VanDerWaalsContact O-CG 3.31Å; R213-N217 PolarHBondContact O-N 2.79Å
214V94.6Very high94.3Very high71 Ų7148.2 Ų48.243%0.4326%0.256SS..Hα-helixtrans-62.4-41.6173.7176.80000111E210 V211 N217 N218E210-V214 WeakPolarHBondContact O-CG2 3.48Å; E210-V214 PolarHBondContact O-N 3.49Å; V211-V214 PolarHBondContact O-N 2.73Å; V214-N217 PolarHBondContact O-N 2.76Å; V214-N218 PolarHBondContact O-N 2.69Å; V214-N218 VanDerWaalsContact O-N 3.12Å; V214-N218 PolarHBondContact O-ND2 3.28Å
215F96.9Very high94.4Very high0 Ų044.9 Ų44.90%024%0.24CC..Hα-helixtrans-59.5-47.9173.2166.2-100.7000111.9I174 F178 V185 A188 L189 C192 V211 Y212 R213 N217 N218 L219I174-F215 HydrophobicContact CG2-CE1 4.38Å; I174-F215 HydrophobicContact CG2-CE2 4.45Å; I174-F215 HydrophobicContact CG2-CZ 3.79Å; F178-F215 HydrophobicContact CD2-CE1 4.04Å; F178-F215 HydrophobicContact CD2-CZ 4.15Å; F178-F215 AromaticContact CE2-CE1 3.81Å; F178-F215 HydrophobicContact CE2-CE1 3.81Å; F178-F215 HydrophobicContact CE2-CZ 4.37Å; F178-F215 HydrophobicContact CZ-CE1 4.43Å; V185-F215 HydrophobicContact CG1-CE2 4.19Å; V185-F215 HydrophobicContact CG1-CZ 4.21Å; A188-F215 HydrophobicContact CB-CD2 3.74Å; A188-F215 HydrophobicContact CB-CE2 3.79Å; L189-F215 HydrophobicContact CD2-CD2 3.94Å; L189-F215 HydrophobicContact CD2-CE2 3.91Å; L189-F215 HydrophobicContact CG-CD2 4.19Å; L189-F215 HydrophobicContact CG-CE2 3.89Å; C192-F215 WeakPolarHBondContact SG-CA 3.46Å; C192-F215 PolarHBondContact SG-N 3.3Å; C192-F215 VanDerWaalsContact SG-N 3.42Å; V211-F215 WeakPolarHBondContact O-CB 3.4Å; V211-F215 PolarHBondContact O-N 2.92Å; Y212-F215 HydrophobicContact CD2-CD1 4.02Å; Y212-F215 HydrophobicContact CE2-CD1 4.14Å; Y212-F215 HydrophobicContact CE2-CE1 4.4Å; Y212-F215 WeakPolarHBondContact O-CB 3.28Å; Y212-F215 PolarHBondContact O-N 3.15Å; R213-F215 VanDerWaalsContact C-N 3.34Å; R213-F215 PolarHBondContact O-N 2.85Å; F215-N217 PolarHBondContact O-N 3.23Å; F215-N218 PolarHBondContact O-N 3.38Å; F215-L219 HydrophobicContact CE1-CD2 3.86Å; F215-L219 HydrophobicContact CZ-CD2 3.75Å; F215-L219 VanDerWaalsContact O-CB 3.28Å; F215-L219 WeakPolarHBondContact O-CB 3.31Å; F215-L219 PolarHBondContact O-N 2.83Å
216L95.7Very high94.2Very high17 Ų1741.6 Ų41.69%0.08923%0.227CC..Hα-helixtrans-63.1-40.5177.7-73.6-177.6000112.7L152 F178 Y212 R213 N218 L219 C220 F687L152-L216 HydrophobicContact CB-CD1 4.28Å; L152-L216 HydrophobicContact CD1-CD1 4.18Å; L152-L216 HydrophobicContact CD2-CD1 4.08Å; L152-L216 HydrophobicContact CG-CD1 4.41Å; F178-L216 HydrophobicContact CE1-CD2 4.18Å; F178-L216 HydrophobicContact CZ-CD2 3.92Å; Y212-L216 HydrophobicContact CD1-CD1 4.04Å; Y212-L216 HydrophobicContact CD1-CG 4.44Å; Y212-L216 HydrophobicContact CE1-CD1 3.48Å; Y212-L216 VanDerWaalsContact CE1-CD1 3.48Å; Y212-L216 HydrophobicContact CE1-CG 4.07Å; Y212-L216 HydrophobicContact CE2-CD1 4.44Å; Y212-L216 HydrophobicContact CE2-CD2 4.25Å; Y212-L216 HydrophobicContact CE2-CG 4.17Å; Y212-L216 WeakPolarHBondContact O-CG 3.25Å; Y212-L216 PolarHBondContact O-N 3.39Å; R213-L216 PolarHBondContact O-N 2.99Å; L216-N218 VanDerWaalsContact C-N 3.33Å; L216-N218 PolarHBondContact O-N 3.5Å; L216-L219 PolarHBondContact O-N 2.73Å; L216-C220 WeakPolarHBondContact O-CB 3.28Å; L216-C220 PolarHBondContact O-N 3.39Å; L216-F687 HydrophobicContact CD2-CE2 4.27Å; L216-F687 HydrophobicContact CD2-CZ 3.95Å
217N93.6Very high94.1Very high69 Ų6942.3 Ų42.337%0.36923%0.231SC..Hα-helixtrans-64.8-35.7178.6-73.1-3.9000111.8R213 V214 F215 D293R213-N217 WeakPolarHBondContact O-CB 3.21Å; R213-N217 VanDerWaalsContact O-CG 3.31Å; R213-N217 PolarHBondContact O-N 2.79Å; V214-N217 PolarHBondContact O-N 2.76Å; F215-N217 PolarHBondContact O-N 3.23Å; N217-D293 PolarHBondContact ND2-OD1 2.88Å
218N95.1Very high94Very high72 Ų7242.9 Ų42.939%0.38523%0.234SC..Hα-helixtrans-74.6-38.1173-76.3-79.9000112.8A188 A191 V214 F215 L216A188-N218 HydrophobicContact CB-CB 3.92Å; A191-N218 HydrophobicContact CB-CB 4.4Å; V214-N218 PolarHBondContact O-N 2.69Å; V214-N218 VanDerWaalsContact O-N 3.12Å; V214-N218 PolarHBondContact O-ND2 3.28Å; F215-N218 PolarHBondContact O-N 3.38Å; L216-N218 VanDerWaalsContact C-N 3.33Å; L216-N218 PolarHBondContact O-N 3.5Å
219L95.4Very high93.8Very high3 Ų341.2 Ų41.22%0.01622%0.223CC..Hα-helixtrans-71.3-34.8179.3179.762.8000112.9F178 R184 V185 A188 F215 L216 F687F178-L219 HydrophobicContact CB-CD2 3.98Å; F178-L219 HydrophobicContact CD1-CD2 3.63Å; F178-L219 HydrophobicContact CD2-CD2 4.14Å; F178-L219 HydrophobicContact CE1-CD2 4.1Å; F178-L219 HydrophobicContact CG-CD2 3.64Å; R184-L219 HydrophobicContact CB-CD1 4.03Å; R184-L219 WeakPolarHBondContact CD-O 3.38Å; R184-L219 HydrophobicContact CG-CD1 4.06Å; R184-L219 PolarHBondContact NE-O 3.17Å; R184-L219 VanDerWaalsContact NE-O 3.09Å; V185-L219 HydrophobicContact CG2-CD1 3.67Å; V185-L219 HydrophobicContact CG2-CD2 4.44Å; A188-L219 HydrophobicContact CB-CB 3.99Å; F215-L219 HydrophobicContact CE1-CD2 3.86Å; F215-L219 HydrophobicContact CZ-CD2 3.75Å; F215-L219 VanDerWaalsContact O-CB 3.28Å; F215-L219 WeakPolarHBondContact O-CB 3.31Å; F215-L219 PolarHBondContact O-N 2.83Å; L216-L219 PolarHBondContact O-N 2.73Å; L219-F687 HydrophobicContact CD2-CE1 3.9Å; L219-F687 HydrophobicContact CD2-CZ 4.28Å; L219-F687 HydrophobicContact CG-CE1 4.15Å
220C94.9Very high93.7Very high7 Ų742 Ų425%0.04723%0.23CC..SBendtrans-133.767.5-173.7-166.10000111.6L216 R222 F687L216-C220 WeakPolarHBondContact O-CB 3.28Å; L216-C220 PolarHBondContact O-N 3.39Å; C220-R222 VanDerWaalsContact O-CD 3.29Å; C220-R222 WeakPolarHBondContact O-CD 3.38Å; C220-R222 VanDerWaalsContact O-CG 3.28Å; C220-R222 WeakPolarHBondContact O-CG 3.24Å; C220-F687 HydrophobicContact CB-CE1 3.98Å; C220-F687 HydrophobicContact CB-CZ 3.64Å
221P93.4Very high93.6Very high53 Ų5342.5 Ų42.534%0.34423%0.232SC..  trans-59.2148.2177-23.434.9000113.2P223 N724P221-P223 WeakPolarHBondContact O-CD 3.31Å; P221-N724 PolarHBondContact O-ND2 3.3Å
222R94.4Very high93.1Very high17 Ų1742.7 Ų42.76%0.06423%0.23CC..  trans-129.455.4-163.8-57.6-57.7-52.1-62.40.5114.6C220 E224 I225 D226 M296 Q686 Y773C220-R222 VanDerWaalsContact O-CD 3.29Å; C220-R222 WeakPolarHBondContact O-CD 3.38Å; C220-R222 VanDerWaalsContact O-CG 3.28Å; C220-R222 WeakPolarHBondContact O-CG 3.24Å; R222-E224 VanDerWaalsContact CA-OE2 3.22Å; R222-E224 WeakPolarHBondContact CA-OE2 3.26Å; R222-E224 IonicContact CZ-OE1 3.63Å; R222-E224 IonicContact NE-OE1 3.59Å; R222-E224 PolarHBondContact NE-OE1 3.35Å; R222-E224 IonicContact NE-OE2 3.63Å; R222-E224 IonicContact NH2-OE1 3.8Å; R222-E224 PolarHBondContact NH2-OE1 2.8Å; R222-E224 PolarHBondContact O-N 3.25Å; R222-I225 HydrophobicContact CB-CG1 4.47Å; R222-I225 VanDerWaalsContact NH1-CD1 3.29Å; R222-I225 PolarHBondContact O-N 2.71Å; R222-D226 PolarHBondContact O-N 2.69Å; R222-M296 HydrophobicContact CB-SD 4.27Å; R222-M296 HydrophobicContact CG-SD 4.38Å; R222-Q686 VanDerWaalsContact CZ-NE2 3.34Å; R222-Y773 PolarHBondContact NH1-OH 2.9Å
223P91.8Very high92.2Very high69 Ų6942.9 Ų42.945%0.44824%0.235SC..Hα-helixtrans-57.9-24.1-175.727.6-36.8000113.9P221 I225 D226 N227P221-P223 WeakPolarHBondContact O-CD 3.31Å; P223-I225 VanDerWaalsContact C-N 3.3Å; P223-I225 PolarHBondContact O-N 2.99Å; P223-D226 WeakPolarHBondContact CA-OD2 3.31Å; P223-D226 PolarHBondContact O-N 2.72Å; P223-N227 PolarHBondContact O-N 3.44Å; P223-N227 VanDerWaalsContact O-N 3.11Å; P223-N227 PolarHBondContact O-ND2 3.43Å
224E93.8Very high91.1Very high12 Ų1241.7 Ų41.76%0.05624%0.238CC..Hα-helixtrans-66.9-29.4175.374.7-82.4-152.400112.9R222 I228 I683 S684 F790R222-E224 VanDerWaalsContact CA-OE2 3.22Å; R222-E224 WeakPolarHBondContact CA-OE2 3.26Å; R222-E224 IonicContact CZ-OE1 3.63Å; R222-E224 IonicContact NE-OE1 3.59Å; R222-E224 PolarHBondContact NE-OE1 3.35Å; R222-E224 IonicContact NE-OE2 3.63Å; R222-E224 IonicContact NH2-OE1 3.8Å; R222-E224 PolarHBondContact NH2-OE1 2.8Å; R222-E224 PolarHBondContact O-N 3.25Å; E224-I228 VanDerWaalsContact O-CD1 3.29Å; E224-I228 WeakPolarHBondContact O-CD1 3.49Å; E224-I228 VanDerWaalsContact O-CG1 3.23Å; E224-I228 WeakPolarHBondContact O-CG1 3.3Å; E224-I228 PolarHBondContact O-N 3.4Å; E224-I228 VanDerWaalsContact O-N 3.17Å; E224-I683 HydrophobicContact CB-CG2 3.91Å; E224-I683 HydrophobicContact CG-CG2 3.83Å; E224-S684 WeakPolarHBondContact OE1-CB 3.14Å; E224-S684 PolarHBondContact OE1-OG 2.91Å; E224-F790 HydrophobicContact CG-CD1 4.27Å; E224-F790 HydrophobicContact CG-CE1 4.4Å
225I93.8Very high89.8Confident0 Ų048.4 Ų48.40%026%0.262CS..Hα-helixtrans-80.8-35.8175.8-59.6-175.1000110.8R222 P223 N227 I228 F229 F295 M296 L299 F790R222-I225 HydrophobicContact CB-CG1 4.47Å; R222-I225 VanDerWaalsContact NH1-CD1 3.29Å; R222-I225 PolarHBondContact O-N 2.71Å; P223-I225 VanDerWaalsContact C-N 3.3Å; P223-I225 PolarHBondContact O-N 2.99Å; I225-N227 PolarHBondContact O-N 3.08Å; I225-I228 PolarHBondContact O-N 3.31Å; I225-F229 VanDerWaalsContact O-CB 3.27Å; I225-F229 WeakPolarHBondContact O-CB 3.33Å; I225-F229 PolarHBondContact O-N 3.19Å; I225-F295 HydrophobicContact CG2-CD1 3.89Å; I225-F295 HydrophobicContact CG2-CE1 4.13Å; I225-M296 HydrophobicContact CB-CG 4.37Å; I225-M296 HydrophobicContact CD1-CG 3.91Å; I225-M296 HydrophobicContact CD1-SD 4.45Å; I225-M296 HydrophobicContact CG2-CG 3.77Å; I225-L299 HydrophobicContact CD1-CD1 4.09Å; I225-L299 HydrophobicContact CG1-CD1 4.49Å; I225-L299 HydrophobicContact CG2-CD1 4.15Å; I225-F790 HydrophobicContact CD1-CZ 4.45Å; I225-F790 HydrophobicContact CG1-CE1 4.16Å; I225-F790 HydrophobicContact CG1-CZ 4.35Å
226D91Very high88.3Confident76 Ų7653.9 Ų53.941%0.40630%0.3SS..Hα-helixtrans-57.6-40.6171.9-61.5-59.4000111.1R222 P223 S230R222-D226 PolarHBondContact O-N 2.69Å; P223-D226 WeakPolarHBondContact CA-OD2 3.31Å; P223-D226 PolarHBondContact O-N 2.72Å; D226-S230 WeakPolarHBondContact O-CB 3.24Å; D226-S230 PolarHBondContact O-N 3.04Å; D226-S230 PolarHBondContact O-OG 3.24Å
227N91Very high87.6Confident101 Ų10157.4 Ų57.454%0.5432%0.315SS..Hα-helixtrans-64-50173.9-72.1-18.9000112.4P223 I225 F229 S230 E231P223-N227 PolarHBondContact O-N 3.44Å; P223-N227 VanDerWaalsContact O-N 3.11Å; P223-N227 PolarHBondContact O-ND2 3.43Å; I225-N227 PolarHBondContact O-N 3.08Å; N227-F229 PolarHBondContact O-N 2.88Å; N227-S230 PolarHBondContact O-N 3.02Å; N227-S230 VanDerWaalsContact O-N 3.17Å; N227-E231 PolarHBondContact O-N 3.46Å
228I92.4Very high87.3Confident11 Ų1159 Ų596%0.05633%0.329CS..Hα-helixtrans-60.1-45.4178.2-69.6160.4000110.9E224 I225 S230 E231 F232 F295 I683 Y771 F790E224-I228 VanDerWaalsContact O-CD1 3.29Å; E224-I228 WeakPolarHBondContact O-CD1 3.49Å; E224-I228 VanDerWaalsContact O-CG1 3.23Å; E224-I228 WeakPolarHBondContact O-CG1 3.3Å; E224-I228 PolarHBondContact O-N 3.4Å; E224-I228 VanDerWaalsContact O-N 3.17Å; I225-I228 PolarHBondContact O-N 3.31Å; I228-S230 VanDerWaalsContact C-N 3.25Å; I228-S230 PolarHBondContact O-N 3.19Å; I228-E231 WeakPolarHBondContact O-CB 3.14Å; I228-E231 PolarHBondContact O-N 3.09Å; I228-E231 VanDerWaalsContact O-N 3.08Å; I228-F232 HydrophobicContact CG2-CD2 4.2Å; I228-F232 HydrophobicContact CG2-CE2 4.04Å; I228-F232 VanDerWaalsContact O-CD2 3.26Å; I228-F232 WeakPolarHBondContact O-CD2 3.26Å; I228-F232 PolarHBondContact O-N 3.09Å; I228-F295 HydrophobicContact CG2-CE1 4Å; I228-F295 HydrophobicContact CG2-CZ 4.13Å; I228-I683 HydrophobicContact CD1-CD1 4.48Å; I228-Y771 HydrophobicContact CD1-CD1 3.58Å; I228-Y771 HydrophobicContact CD1-CE1 3.48Å; I228-Y771 VanDerWaalsContact CD1-CE1 3.48Å; I228-Y771 HydrophobicContact CG1-CD1 4.31Å; I228-Y771 HydrophobicContact CG1-CE1 3.75Å; I228-Y771 HydrophobicContact CG2-CE1 4.22Å; I228-Y771 HydrophobicContact CG2-CE2 4.27Å; I228-F790 HydrophobicContact CD1-CE1 3.76Å; I228-F790 HydrophobicContact CD1-CZ 4.14Å
229F92.4Very high87.2Confident9 Ų958 Ų584%0.03932%0.32CS..Hα-helixtrans-60.6-37.1177.3-171.5-87.5000111.8I225 N227 E231 G233 L240 S291 V292 F295I225-F229 VanDerWaalsContact O-CB 3.27Å; I225-F229 WeakPolarHBondContact O-CB 3.33Å; I225-F229 PolarHBondContact O-N 3.19Å; N227-F229 PolarHBondContact O-N 2.88Å; F229-E231 VanDerWaalsContact C-N 3.32Å; F229-G233 WeakPolarHBondContact O-CA 3.34Å; F229-G233 PolarHBondContact O-N 3.28Å; F229-L240 HydrophobicContact CD2-CD1 4.16Å; F229-L240 HydrophobicContact CD2-CG 4.14Å; F229-L240 HydrophobicContact CE1-CD2 4.38Å; F229-L240 HydrophobicContact CE1-CG 4.42Å; F229-L240 HydrophobicContact CE2-CD1 4.05Å; F229-L240 HydrophobicContact CE2-CD2 4.4Å; F229-L240 HydrophobicContact CE2-CG 3.69Å; F229-L240 HydrophobicContact CZ-CD2 4.31Å; F229-L240 HydrophobicContact CZ-CG 3.86Å; F229-S291 VanDerWaalsContact CE2-C 3.44Å; F229-S291 WeakPolarHBondContact CE2-O 3.22Å; F229-V292 HydrophobicContact CD1-CG2 3.69Å; F229-V292 HydrophobicContact CD2-CB 4.43Å; F229-V292 HydrophobicContact CD2-CG2 4.16Å; F229-V292 HydrophobicContact CE1-CG2 3.72Å; F229-V292 HydrophobicContact CE2-CB 4.48Å; F229-V292 HydrophobicContact CE2-CG2 4.18Å; F229-V292 HydrophobicContact CG-CG2 3.9Å; F229-V292 HydrophobicContact CZ-CG2 3.94Å; F229-F295 HydrophobicContact CB-CD1 4.41Å; F229-F295 HydrophobicContact CD2-CB 3.74Å; F229-F295 AromaticContact CD2-CD1 3.77Å; F229-F295 HydrophobicContact CD2-CD1 3.77Å; F229-F295 HydrophobicContact CD2-CE1 4.48Å; F229-F295 AromaticContact CD2-CG 3.78Å; F229-F295 HydrophobicContact CD2-CG 3.78Å; F229-F295 HydrophobicContact CE2-CB 3.83Å; F229-F295 HydrophobicContact CE2-CG 4.27Å
230S90.5Very high87.1Confident71 Ų7157.9 Ų57.950%0.49732%0.319SS..Hα-helixtrans-74.2-17.8176.5-580000114.1D226 N227 I228D226-S230 WeakPolarHBondContact O-CB 3.24Å; D226-S230 PolarHBondContact O-N 3.04Å; D226-S230 PolarHBondContact O-OG 3.24Å; N227-S230 PolarHBondContact O-N 3.02Å; N227-S230 VanDerWaalsContact O-N 3.17Å; I228-S230 VanDerWaalsContact C-N 3.25Å; I228-S230 PolarHBondContact O-N 3.19Å
231E89.5Confident87.1Confident123 Ų12359.1 Ų59.158%0.57533%0.327SS*.Hα-helixtrans-74.7-45.4174.3-170.5-175.9151.900111.3N227 I228 F229N227-E231 PolarHBondContact O-N 3.46Å; I228-E231 WeakPolarHBondContact O-CB 3.14Å; I228-E231 PolarHBondContact O-N 3.09Å; I228-E231 VanDerWaalsContact O-N 3.08Å; F229-E231 VanDerWaalsContact C-N 3.32Å
232F86.4Confident87.2Confident42 Ų4257.3 Ų57.318%0.18432%0.315CS..Hα-helixtrans-86.6-17.3178.1-59.6-74.4000113.1I228 L240 Q244 F248 K252 Y771I228-F232 HydrophobicContact CG2-CD2 4.2Å; I228-F232 HydrophobicContact CG2-CE2 4.04Å; I228-F232 VanDerWaalsContact O-CD2 3.26Å; I228-F232 WeakPolarHBondContact O-CD2 3.26Å; I228-F232 PolarHBondContact O-N 3.09Å; F232-L240 HydrophobicContact CB-CD2 4.5Å; F232-Q244 PolarHBondContact O-NE2 3.3Å; F232-F248 HydrophobicContact CD1-CD2 4.12Å; F232-F248 AromaticContact CD2-CD2 3.65Å; F232-F248 HydrophobicContact CD2-CD2 3.65Å; F232-F248 HydrophobicContact CD2-CE2 4.04Å; F232-F248 HydrophobicContact CE1-CD2 4.16Å; F232-F248 AromaticContact CE2-CD2 3.71Å; F232-F248 HydrophobicContact CE2-CD2 3.71Å; F232-F248 AromaticContact CE2-CE2 3.83Å; F232-F248 HydrophobicContact CE2-CE2 3.83Å; F232-F248 AromaticContact CG-CD2 3.9Å; F232-F248 HydrophobicContact CG-CD2 3.9Å; F232-F248 AromaticContact CZ-CD2 3.98Å; F232-F248 HydrophobicContact CZ-CD2 3.98Å; F232-F248 HydrophobicContact CZ-CE2 4.3Å; F232-K252 HydrophobicContact CE1-CG 3.89Å; F232-K252 HydrophobicContact CZ-CD 4.28Å; F232-K252 HydrophobicContact CZ-CG 3.81Å; F232-Y771 HydrophobicContact CE2-CE2 4.07Å; F232-Y771 HydrophobicContact CZ-CE2 4.31Å
233G77.6Confident87.2Confident13 Ų1359.9 Ų59.913%0.13433%0.33CS..SBendtrans-80.7162.6178.100000114.5F229F229-G233 WeakPolarHBondContact O-CA 3.34Å; F229-G233 PolarHBondContact O-N 3.28Å
234A68.4Low87.4Confident39 Ų3958.7 Ų58.732%0.32232%0.318SS..  trans-76.5128.6163.500000108.2S236 K237A234-S236 PolarHBondContact O-N 3.4Å; A234-K237 HydrophobicContact CB-CB 4.31Å; A234-K237 HydrophobicContact CB-CD 3.96Å; A234-K237 HydrophobicContact CB-CG 4.06Å; A234-K237 PolarHBondContact O-N 3.32Å
235K67.6Low87.5Confident212 Ų21258.2 Ų58.292%0.92232%0.316SS*.THydrogen-bonded Turntrans-55.42.1-171.7-62.1-174.5177.1-176.80117.5
236S65.4Low87.6Confident115 Ų11560.1 Ų60.180%0.80433%0.325SS*.THydrogen-bonded Turntrans-133.65.4179.258.40000114.2A234A234-S236 PolarHBondContact O-N 3.4Å
237K80.6Confident87.8Confident92 Ų9260.4 Ų60.440%0.433%0.327SS..  trans-112.6132.7-178.2-66.5-174.4179.5-178.20111.6A234 Y239A234-K237 HydrophobicContact CB-CB 4.31Å; A234-K237 HydrophobicContact CB-CD 3.96Å; A234-K237 HydrophobicContact CB-CG 4.06Å; A234-K237 PolarHBondContact O-N 3.32Å; K237-Y239 HydrophobicContact CB-CE1 4.39Å; K237-Y239 HydrophobicContact CD-CE2 3.86Å; K237-Y239 PolarHBondContact O-N 2.97Å; K237-Y239 VanDerWaalsContact O-N 3.13Å
238P87.6Confident88Confident102 Ų10255.7 Ų55.766%0.66230%0.302SS*.SBendtrans-82.824.8177.635.8-36.7000113.4
239Y92.7Very high88.1Confident52 Ų5255.7 Ų55.720%0.20430%0.301CS..SBendtrans-153.7151.6-178.158.5-97.7000111.5K237 T241 Q289 I290K237-Y239 HydrophobicContact CB-CE1 4.39Å; K237-Y239 HydrophobicContact CD-CE2 3.86Å; K237-Y239 PolarHBondContact O-N 2.97Å; K237-Y239 VanDerWaalsContact O-N 3.13Å; Y239-T241 HydrophobicContact CE2-CG2 4.42Å; Y239-Q289 HydrophobicContact CD2-CB 4.05Å; Y239-Q289 HydrophobicContact CD2-CG 3.65Å; Y239-Q289 HydrophobicContact CE2-CG 3.94Å; Y239-Q289 HydrophobicContact CG-CB 4.18Å; Y239-Q289 HydrophobicContact CG-CG 4.19Å; Y239-I290 CarbonylContact C-O 3.46Å; Y239-I290 VanDerWaalsContact CA-O 3.24Å; Y239-I290 WeakPolarHBondContact CA-O 3.28Å
240L94.2Very high88.3Confident0 Ų056.8 Ų56.80%031%0.308CS..EExtended strand (participates in β ladder)trans-91.9149.8161-51.6-179.5000109.4F229 F232 Q244 M245 Q289 I290 F295F229-L240 HydrophobicContact CD2-CD1 4.16Å; F229-L240 HydrophobicContact CD2-CG 4.14Å; F229-L240 HydrophobicContact CE1-CD2 4.38Å; F229-L240 HydrophobicContact CE1-CG 4.42Å; F229-L240 HydrophobicContact CE2-CD1 4.05Å; F229-L240 HydrophobicContact CE2-CD2 4.4Å; F229-L240 HydrophobicContact CE2-CG 3.69Å; F229-L240 HydrophobicContact CZ-CD2 4.31Å; F229-L240 HydrophobicContact CZ-CG 3.86Å; F232-L240 HydrophobicContact CB-CD2 4.5Å; L240-Q244 HydrophobicContact CB-CB 4.16Å; L240-M245 HydrophobicContact CD1-SD 4.4Å; L240-Q289 VanDerWaalsContact O-CA 3.31Å; L240-Q289 WeakPolarHBondContact O-CA 3.49Å; L240-I290 HydrophobicContact CB-CG2 3.82Å; L240-I290 HydrophobicContact CG-CG2 4.44Å; L240-I290 PolarHBondContact N-O 2.89Å; L240-I290 PolarHBondContact O-N 2.98Å; L240-F295 HydrophobicContact CD1-CD2 4.19Å; L240-F295 HydrophobicContact CD1-CE2 4.32Å
241T95.1Very high88.4Confident33 Ų3359.7 Ų59.720%0.20232%0.317CS..EExtended strand (participates in β ladder)trans-84168.1167.264.50000111.9Y239 D243 Q244 M245 G288Y239-T241 HydrophobicContact CE2-CG2 4.42Å; T241-D243 PolarHBondContact O-N 3.5Å; T241-Q244 VanDerWaalsContact N-OE1 3.14Å; T241-Q244 PolarHBondContact O-N 3.17Å; T241-Q244 WeakPolarHBondContact OG1-CG 3.29Å; T241-Q244 PolarHBondContact OG1-N 2.94Å; T241-Q244 PolarHBondContact OG1-OE1 3.49Å; T241-M245 PolarHBondContact O-N 3.09Å; T241-G288 CarbonylContact C-O 3.23Å; T241-G288 WeakPolarHBondContact CA-O 3.45Å
242V95.8Very high88.6Confident15 Ų1556.5 Ų56.59%0.09130%0.301CS..Hα-helixtrans-50-43.5171.7-161.80000111.5M245 M246 Q268 V271 I275 G288V242-M245 PolarHBondContact O-N 3.04Å; V242-M246 VanDerWaalsContact O-CB 3.26Å; V242-M246 WeakPolarHBondContact O-CB 3.32Å; V242-M246 PolarHBondContact O-N 3.08Å; V242-Q268 HydrophobicContact CB-CG 4.19Å; V242-Q268 HydrophobicContact CG1-CG 3.68Å; V242-Q268 WeakPolarHBondContact CG1-O 3.3Å; V242-V271 HydrophobicContact CG1-CB 3.88Å; V242-V271 HydrophobicContact CG1-CG1 3.83Å; V242-I275 HydrophobicContact CB-CD1 4.26Å; V242-I275 HydrophobicContact CG1-CD1 4.27Å; V242-I275 HydrophobicContact CG2-CD1 4.07Å; V242-G288 VanDerWaalsContact CG2-O 3.28Å; V242-G288 WeakPolarHBondContact CG2-O 3.32Å; V242-G288 PolarHBondContact N-O 3.25Å
243D94.6Very high89Confident71 Ų7155.3 Ų55.338%0.3830%0.296SS..Hα-helixtrans-68.1-44-176.7-45.8-48.8000111.4T241 M245 M246 D247 Q268T241-D243 PolarHBondContact O-N 3.5Å; D243-M245 VanDerWaalsContact C-N 3.3Å; D243-M245 PolarHBondContact O-N 2.92Å; D243-M246 WeakPolarHBondContact O-CB 3.4Å; D243-M246 PolarHBondContact O-N 3.07Å; D243-D247 WeakPolarHBondContact O-CB 2.76Å; D243-D247 PolarHBondContact O-N 2.99Å; D243-Q268 PolarHBondContact OD1-NE2 2.69Å
244Q95.1Very high89.8Confident43 Ų4356.8 Ų56.820%0.20130%0.298CS..Hα-helixtrans-63.3-36.4174.8-66.3175.9-8600112F232 L240 T241 F248F232-Q244 PolarHBondContact O-NE2 3.3Å; L240-Q244 HydrophobicContact CB-CB 4.16Å; T241-Q244 VanDerWaalsContact N-OE1 3.14Å; T241-Q244 PolarHBondContact O-N 3.17Å; T241-Q244 WeakPolarHBondContact OG1-CG 3.29Å; T241-Q244 PolarHBondContact OG1-N 2.94Å; T241-Q244 PolarHBondContact OG1-OE1 3.49Å; Q244-F248 WeakPolarHBondContact O-CB 3.43Å; Q244-F248 PolarHBondContact O-N 2.89Å
245M95.4Very high91Very high2 Ų255.6 Ų55.61%0.0129%0.286CS..Hα-helixtrans-71.6-35.7174.9-169.666.9-173.800111.9L240 T241 V242 D243 F248 I249 V271 I275 I290 F295 Y298L240-M245 HydrophobicContact CD1-SD 4.4Å; T241-M245 PolarHBondContact O-N 3.09Å; V242-M245 PolarHBondContact O-N 3.04Å; D243-M245 VanDerWaalsContact C-N 3.3Å; D243-M245 PolarHBondContact O-N 2.92Å; M245-F248 HydrophobicContact CE-CD1 4.41Å; M245-F248 HydrophobicContact SD-CD1 4.3Å; M245-I249 HydrophobicContact CE-CD1 4.13Å; M245-I249 HydrophobicContact CE-CG1 4.35Å; M245-I249 HydrophobicContact CG-CD1 4.18Å; M245-I249 VanDerWaalsContact O-CG1 3.24Å; M245-I249 WeakPolarHBondContact O-CG1 3.35Å; M245-I249 PolarHBondContact O-N 3.4Å; M245-V271 HydrophobicContact CB-CG1 3.82Å; M245-V271 HydrophobicContact CG-CG1 3.77Å; M245-I275 HydrophobicContact CB-CD1 4.45Å; M245-I290 HydrophobicContact CE-CD1 4.47Å; M245-I290 HydrophobicContact CG-CG2 4.49Å; M245-I290 HydrophobicContact SD-CG2 4.26Å; M245-F295 HydrophobicContact CE-CD2 4.1Å; M245-F295 HydrophobicContact CE-CE2 4.37Å; M245-F295 HydrophobicContact SD-CD2 3.91Å; M245-F295 HydrophobicContact SD-CE2 4.13Å; M245-Y298 HydrophobicContact CE-CD1 3.46Å; M245-Y298 VanDerWaalsContact CE-CD1 3.46Å; M245-Y298 HydrophobicContact CE-CD2 3.86Å; M245-Y298 HydrophobicContact CE-CE1 3.85Å; M245-Y298 HydrophobicContact CE-CE2 4.2Å; M245-Y298 HydrophobicContact CE-CG 3.48Å; M245-Y298 VanDerWaalsContact CE-CG 3.48Å
246M95.9Very high92.2Very high40 Ų4049.4 Ų49.420%0.19727%0.267CS..Hα-helixtrans-66.9-45.6175.6-177.5178.566.900111.1V242 D243 I249 N250 Q268 V271V242-M246 VanDerWaalsContact O-CB 3.26Å; V242-M246 WeakPolarHBondContact O-CB 3.32Å; V242-M246 PolarHBondContact O-N 3.08Å; D243-M246 WeakPolarHBondContact O-CB 3.4Å; D243-M246 PolarHBondContact O-N 3.07Å; M246-I249 PolarHBondContact O-N 2.86Å; M246-N250 WeakPolarHBondContact CG-ND2 3.4Å; M246-N250 VanDerWaalsContact O-CB 3.28Å; M246-N250 WeakPolarHBondContact O-CB 3.38Å; M246-N250 PolarHBondContact O-N 3.33Å; M246-N250 PolarHBondContact O-ND2 2.88Å; M246-Q268 HydrophobicContact SD-CB 4.22Å; M246-Q268 PolarHBondContact SD-N 2.89Å; M246-V271 HydrophobicContact CB-CB 4.43Å; M246-V271 HydrophobicContact CB-CG1 4.39Å; M246-V271 HydrophobicContact CB-CG2 3.89Å; M246-V271 HydrophobicContact CG-CG2 4.07Å
247D94.9Very high93.4Very high83 Ų8346.2 Ų46.244%0.44424%0.238SC..Hα-helixtrans-62-45.3174.1-72.8-16.9000110.8D243 I249 N250 L251D243-D247 WeakPolarHBondContact O-CB 2.76Å; D243-D247 PolarHBondContact O-N 2.99Å; D247-I249 PolarHBondContact O-N 3.02Å; D247-N250 PolarHBondContact O-N 3Å; D247-L251 HydrophobicContact CB-CD1 4.12Å; D247-L251 WeakPolarHBondContact O-CB 3.33Å; D247-L251 VanDerWaalsContact O-CG 3.24Å; D247-L251 WeakPolarHBondContact O-CG 3.42Å; D247-L251 PolarHBondContact O-N 3.15Å
248F95.7Very high93.9Very high2 Ų244.5 Ų44.51%0.00923%0.233CC..Hα-helixtrans-56.2-49.6173.8172.3-99000112.1F232 Q244 M245 K252 Q253 F295 Y298 L299 Y771F232-F248 HydrophobicContact CD1-CD2 4.12Å; F232-F248 AromaticContact CD2-CD2 3.65Å; F232-F248 HydrophobicContact CD2-CD2 3.65Å; F232-F248 HydrophobicContact CD2-CE2 4.04Å; F232-F248 HydrophobicContact CE1-CD2 4.16Å; F232-F248 AromaticContact CE2-CD2 3.71Å; F232-F248 HydrophobicContact CE2-CD2 3.71Å; F232-F248 AromaticContact CE2-CE2 3.83Å; F232-F248 HydrophobicContact CE2-CE2 3.83Å; F232-F248 AromaticContact CG-CD2 3.9Å; F232-F248 HydrophobicContact CG-CD2 3.9Å; F232-F248 AromaticContact CZ-CD2 3.98Å; F232-F248 HydrophobicContact CZ-CD2 3.98Å; F232-F248 HydrophobicContact CZ-CE2 4.3Å; Q244-F248 WeakPolarHBondContact O-CB 3.43Å; Q244-F248 PolarHBondContact O-N 2.89Å; M245-F248 HydrophobicContact CE-CD1 4.41Å; M245-F248 HydrophobicContact SD-CD1 4.3Å; F248-K252 HydrophobicContact CD2-CB 4.29Å; F248-K252 HydrophobicContact CD2-CG 4.45Å; F248-K252 HydrophobicContact CE2-CB 4.32Å; F248-K252 WeakPolarHBondContact O-CA 3.49Å; F248-K252 VanDerWaalsContact O-CB 3.3Å; F248-K252 WeakPolarHBondContact O-CB 3.17Å; F248-K252 PolarHBondContact O-N 3.28Å; F248-Q253 HydrophobicContact CD1-CG 4.08Å; F248-Q253 HydrophobicContact CE1-CG 3.51Å; F248-Q253 HydrophobicContact CZ-CG 3.84Å; F248-Q253 PolarHBondContact O-N 3.38Å; F248-F295 AromaticContact CD1-CE2 3.84Å; F248-F295 HydrophobicContact CD1-CE2 3.84Å; F248-F295 HydrophobicContact CD1-CZ 4.43Å; F248-F295 HydrophobicContact CD2-CZ 4.44Å; F248-F295 AromaticContact CE1-CE2 3.58Å; F248-F295 HydrophobicContact CE1-CE2 3.58Å; F248-F295 AromaticContact CE1-CZ 3.9Å; F248-F295 HydrophobicContact CE1-CZ 3.9Å; F248-F295 HydrophobicContact CE2-CE2 4.27Å; F248-F295 AromaticContact CE2-CZ 3.91Å; F248-F295 HydrophobicContact CE2-CZ 3.91Å; F248-F295 HydrophobicContact CG-CE2 4.31Å; F248-F295 AromaticContact CZ-CE2 3.82Å; F248-F295 HydrophobicContact CZ-CE2 3.82Å; F248-F295 AromaticContact CZ-CZ 3.62Å; F248-F295 HydrophobicContact CZ-CZ 3.62Å; F248-Y298 HydrophobicContact CE1-CE1 4.04Å; F248-L299 HydrophobicContact CZ-CD2 4.21Å; F248-Y771 AromaticContact CE2-CD2 3.64Å; F248-Y771 HydrophobicContact CE2-CD2 3.64Å; F248-Y771 AromaticContact CE2-CE2 3.86Å; F248-Y771 HydrophobicContact CE2-CE2 3.86Å; F248-Y771 AromaticContact CZ-CD2 3.84Å; F248-Y771 HydrophobicContact CZ-CD2 3.84Å
249I95.7Very high94Very high10 Ų1043.7 Ų43.75%0.05122%0.223CC..Hα-helixtrans-63.7-48.7179.4-67.2165.4000110.9M245 M246 D247 Q253 R254 L266 V271 L274 Y298M245-I249 HydrophobicContact CE-CD1 4.13Å; M245-I249 HydrophobicContact CE-CG1 4.35Å; M245-I249 HydrophobicContact CG-CD1 4.18Å; M245-I249 VanDerWaalsContact O-CG1 3.24Å; M245-I249 WeakPolarHBondContact O-CG1 3.35Å; M245-I249 PolarHBondContact O-N 3.4Å; M246-I249 PolarHBondContact O-N 2.86Å; D247-I249 PolarHBondContact O-N 3.02Å; I249-Q253 CarbonylContact O-C 3.53Å; I249-Q253 WeakPolarHBondContact O-CA 3.39Å; I249-Q253 PolarHBondContact O-N 3Å; I249-Q253 VanDerWaalsContact O-N 3.16Å; I249-R254 PolarHBondContact O-N 3.29Å; I249-L266 HydrophobicContact CD1-CD2 4.45Å; I249-L266 HydrophobicContact CG2-CD1 4.02Å; I249-L266 HydrophobicContact CG2-CD2 4.23Å; I249-V271 HydrophobicContact CD1-CG1 4.35Å; I249-V271 HydrophobicContact CD1-CG2 4.2Å; I249-L274 HydrophobicContact CD1-CD1 3.86Å; I249-Y298 HydrophobicContact CD1-CE2 4.31Å
250N95.4Very high93.8Very high32 Ų3248 Ų4817%0.17125%0.245CC..Hα-helixtrans-77.8-24.3-172.2-70.7-32.7000114.1M246 D247 R254 P265 L266M246-N250 WeakPolarHBondContact CG-ND2 3.4Å; M246-N250 VanDerWaalsContact O-CB 3.28Å; M246-N250 WeakPolarHBondContact O-CB 3.38Å; M246-N250 PolarHBondContact O-N 3.33Å; M246-N250 PolarHBondContact O-ND2 2.88Å; D247-N250 PolarHBondContact O-N 3Å; N250-R254 VanDerWaalsContact O-CB 3.31Å; N250-R254 WeakPolarHBondContact O-CB 3.26Å; N250-P265 HydrophobicContact CB-CB 4.46Å; N250-P265 WeakPolarHBondContact OD1-CA 3.49Å; N250-P265 WeakPolarHBondContact OD1-CB 3.16Å; N250-L266 PolarHBondContact ND2-O 3.39Å; N250-L266 PolarHBondContact OD1-N 3.32Å
251L92.9Very high93.5Very high132 Ų13254.2 Ų54.269%0.69128%0.277SS*.Hα-helixtrans-104.7-20.9-178.3-55.8174.7000114.1D247D247-L251 HydrophobicContact CB-CD1 4.12Å; D247-L251 WeakPolarHBondContact O-CB 3.33Å; D247-L251 VanDerWaalsContact O-CG 3.24Å; D247-L251 WeakPolarHBondContact O-CG 3.42Å; D247-L251 PolarHBondContact O-N 3.15Å
252K94.3Very high93Very high56 Ų5656.4 Ų56.424%0.24329%0.287CS..Hα-helixtrans-118.8-40.7-179-63.8-69.5-172.5165.60114.2F232 F248 P769 G770 Y792F232-K252 HydrophobicContact CE1-CG 3.89Å; F232-K252 HydrophobicContact CZ-CD 4.28Å; F232-K252 HydrophobicContact CZ-CG 3.81Å; F248-K252 HydrophobicContact CD2-CB 4.29Å; F248-K252 HydrophobicContact CD2-CG 4.45Å; F248-K252 HydrophobicContact CE2-CB 4.32Å; F248-K252 WeakPolarHBondContact O-CA 3.49Å; F248-K252 VanDerWaalsContact O-CB 3.3Å; F248-K252 WeakPolarHBondContact O-CB 3.17Å; F248-K252 PolarHBondContact O-N 3.28Å; K252-P769 CarbonylContact O-C 3.3Å; K252-G770 WeakPolarHBondContact O-CA 3.46Å; K252-G770 PolarHBondContact O-N 3.16Å; K252-Y792 HydrophobicContact CD-CE2 4.18Å; K252-Y792 PolarHBondContact NZ-OH 3.09Å; K252-Y792 VanDerWaalsContact NZ-OH 3.15Å
253Q95.1Very high92.6Very high17 Ų1759.9 Ų59.98%0.07930%0.299CS..SBendtrans-92.9-5.9-177.3-49.6-60.4104.900113.7F248 I249 N304 P769 G770 Y771F248-Q253 HydrophobicContact CD1-CG 4.08Å; F248-Q253 HydrophobicContact CE1-CG 3.51Å; F248-Q253 HydrophobicContact CZ-CG 3.84Å; F248-Q253 PolarHBondContact O-N 3.38Å; I249-Q253 CarbonylContact O-C 3.53Å; I249-Q253 WeakPolarHBondContact O-CA 3.39Å; I249-Q253 PolarHBondContact O-N 3Å; I249-Q253 VanDerWaalsContact O-N 3.16Å; Q253-N304 PolarHBondContact NE2-OD1 2.81Å; Q253-P769 CarbonylContact C-O 3.44Å; Q253-G770 VanDerWaalsContact OE1-CA 3.23Å; Q253-Y771 PolarHBondContact NE2-O 2.83Å
254R93.8Very high92.5Very high44 Ų4460.4 Ų60.417%0.16631%0.306CS..SBendtrans-86.4133.2178.3-178.6-176.8174.575.910.4110.9I249 N250 P256 L258 Y263 P769I249-R254 PolarHBondContact O-N 3.29Å; N250-R254 VanDerWaalsContact O-CB 3.31Å; N250-R254 WeakPolarHBondContact O-CB 3.26Å; R254-P256 WeakPolarHBondContact O-CD 3.23Å; R254-L258 PolarHBondContact NH2-O 2.76Å; R254-Y263 PolarHBondContact NH1-O 3.13Å; R254-Y263 PolarHBondContact NH2-O 2.85Å; R254-P769 VanDerWaalsContact O-CG 3.27Å; R254-P769 WeakPolarHBondContact O-CG 3.49Å
255D94Very high92.4Very high14 Ų1461.1 Ų61.18%0.07532%0.315CS..  trans-73113166.7-171.5-12.6000111.3R257 L258 P769D255-R257 PolarHBondContact O-N 2.86Å; D255-R257 VanDerWaalsContact OD1-CB 3.29Å; D255-R257 WeakPolarHBondContact OD1-CB 3.42Å; D255-R257 WeakPolarHBondContact OD1-CG 3.43Å; D255-R257 IonicContact OD1-CZ 3.58Å; D255-R257 PolarHBondContact OD1-N 3.4Å; D255-R257 IonicContact OD1-NE 3.83Å; D255-R257 PolarHBondContact OD1-NE 3.35Å; D255-R257 IonicContact OD1-NH2 3.69Å; D255-R257 IonicContact OD2-CZ 2.88Å; D255-R257 IonicContact OD2-NE 3.17Å; D255-R257 PolarHBondContact OD2-NE 2.78Å; D255-R257 IonicContact OD2-NH2 2.67Å; D255-R257 PolarHBondContact OD2-NH2 2.96Å; D255-L258 HydrophobicContact CB-CD1 3.89Å; D255-L258 HydrophobicContact CB-CG 3.88Å; D255-L258 PolarHBondContact O-N 2.96Å; D255-P769 HydrophobicContact CB-CG 4.22Å
256P91.5Very high92.3Very high82 Ų8263.7 Ų63.753%0.53233%0.328SS..THydrogen-bonded Turntrans-71.7-12.9-177.831.8-36.6000113R254 L258 V795 K796R254-P256 WeakPolarHBondContact O-CD 3.23Å; P256-L258 PolarHBondContact O-N 3.01Å; P256-V795 VanDerWaalsContact CD-O 3.3Å; P256-V795 WeakPolarHBondContact CD-O 3.44Å; P256-V795 WeakPolarHBondContact CG-O 3.43Å; P256-K796 HydrophobicContact CG-CB 4.27Å
257R91.1Very high92.2Very high48 Ų4868.1 Ų68.118%0.18135%0.346CS..THydrogen-bonded Turntrans-76.9-12.5174.8-52.3170.6-64174.82112.2D255 N676 V764 I767D255-R257 PolarHBondContact O-N 2.86Å; D255-R257 VanDerWaalsContact OD1-CB 3.29Å; D255-R257 WeakPolarHBondContact OD1-CB 3.42Å; D255-R257 WeakPolarHBondContact OD1-CG 3.43Å; D255-R257 IonicContact OD1-CZ 3.58Å; D255-R257 PolarHBondContact OD1-N 3.4Å; D255-R257 IonicContact OD1-NE 3.83Å; D255-R257 PolarHBondContact OD1-NE 3.35Å; D255-R257 IonicContact OD1-NH2 3.69Å; D255-R257 IonicContact OD2-CZ 2.88Å; D255-R257 IonicContact OD2-NE 3.17Å; D255-R257 PolarHBondContact OD2-NE 2.78Å; D255-R257 IonicContact OD2-NH2 2.67Å; D255-R257 PolarHBondContact OD2-NH2 2.96Å; R257-N676 WeakPolarHBondContact CD-OD1 3.42Å; R257-N676 PolarHBondContact NH1-OD1 3.31Å; R257-V764 PolarHBondContact NH1-O 3.3Å; R257-V764 PolarHBondContact NH2-O 3.31Å; R257-I767 PolarHBondContact NH2-O 2.92Å
258L90.3Very high92.2Very high57 Ų5769 Ų6930%0.29835%0.347SS..SBendtrans-86.2124.8179.2-64.2-178.9000111.1R254 D255 P256 E260 Y263R254-L258 PolarHBondContact NH2-O 2.76Å; D255-L258 HydrophobicContact CB-CD1 3.89Å; D255-L258 HydrophobicContact CB-CG 3.88Å; D255-L258 PolarHBondContact O-N 2.96Å; P256-L258 PolarHBondContact O-N 3.01Å; L258-E260 PolarHBondContact O-N 3.45Å; L258-Y263 HydrophobicContact CB-CD2 3.99Å; L258-Y263 HydrophobicContact CB-CG 4.25Å; L258-Y263 HydrophobicContact CD1-CD1 4.46Å; L258-Y263 HydrophobicContact CD1-CD2 4.42Å; L258-Y263 HydrophobicContact CD1-CG 4.2Å; L258-Y263 HydrophobicContact CD2-CD2 4.11Å; L258-Y263 HydrophobicContact CD2-CE2 4.1Å; L258-Y263 HydrophobicContact CG-CD2 4.41Å
259N89.8Confident92.2Very high85 Ų8574.9 Ų74.946%0.45538%0.375SS..  trans-54.7130.6175.8177.5-85.7000112I261 L262 Y263N259-I261 VanDerWaalsContact C-N 3.28Å; N259-I261 PolarHBondContact O-N 3.36Å; N259-I261 WeakPolarHBondContact OD1-CA 3.21Å; N259-I261 WeakPolarHBondContact OD1-CB 3.4Å; N259-I261 PolarHBondContact OD1-N 2.99Å; N259-L262 HydrophobicContact CB-CB 4.45Å; N259-L262 HydrophobicContact CB-CD1 4.36Å; N259-L262 PolarHBondContact O-N 2.93Å; N259-L262 PolarHBondContact OD1-N 2.84Å; N259-L262 VanDerWaalsContact OD1-N 3.08Å; N259-Y263 PolarHBondContact O-N 2.98Å
260E88.8Confident92.2Very high141 Ų14179.2 Ų79.266%0.65940%0.395SS*.THydrogen-bonded Turntrans-71.9-14.2-173.4-57.1-175.4154.200114.7L258 P264L258-E260 PolarHBondContact O-N 3.45Å; E260-P264 VanDerWaalsContact O-CA 3.23Å; E260-P264 WeakPolarHBondContact O-CA 3.26Å
261I87.5Confident92.2Very high131 Ų13177.7 Ų77.767%0.67239%0.387SS*.THydrogen-bonded Turntrans-88-45.9176.5-54176000109.8N259N259-I261 VanDerWaalsContact C-N 3.28Å; N259-I261 PolarHBondContact O-N 3.36Å; N259-I261 WeakPolarHBondContact OD1-CA 3.21Å; N259-I261 WeakPolarHBondContact OD1-CB 3.4Å; N259-I261 PolarHBondContact OD1-N 2.99Å
262L85.8Confident92.4Very high80 Ų8073.3 Ų73.342%0.41936%0.363SS..THydrogen-bonded Turntrans-71.3-34.9177.6-64.1176000112.5V8 N259V8-L262 HydrophobicContact CG2-CB 4.37Å; V8-L262 HydrophobicContact CG2-CD2 4.32Å; N259-L262 HydrophobicContact CB-CB 4.45Å; N259-L262 HydrophobicContact CB-CD1 4.36Å; N259-L262 PolarHBondContact O-N 2.93Å; N259-L262 PolarHBondContact OD1-N 2.84Å; N259-L262 VanDerWaalsContact OD1-N 3.08Å
263Y87.9Confident92.5Very high88 Ų8875 Ų7535%0.34538%0.378SS..SBendtrans-128.680.5178.9-59-84000108.7V8 R254 L258 N259V8-Y263 HydrophobicContact CG1-CE1 4.22Å; R254-Y263 PolarHBondContact NH1-O 3.13Å; R254-Y263 PolarHBondContact NH2-O 2.85Å; L258-Y263 HydrophobicContact CB-CD2 3.99Å; L258-Y263 HydrophobicContact CB-CG 4.25Å; L258-Y263 HydrophobicContact CD1-CD1 4.46Å; L258-Y263 HydrophobicContact CD1-CD2 4.42Å; L258-Y263 HydrophobicContact CD1-CG 4.2Å; L258-Y263 HydrophobicContact CD2-CD2 4.11Å; L258-Y263 HydrophobicContact CD2-CE2 4.1Å; L258-Y263 HydrophobicContact CG-CD2 4.41Å; N259-Y263 PolarHBondContact O-N 2.98Å
264P91.1Very high92.5Very high81 Ų8175.1 Ų75.153%0.52638%0.379SS..PPolyproline II helixtrans-63.7151.9-177.525-34.2000113.2E260E260-P264 VanDerWaalsContact O-CA 3.23Å; E260-P264 WeakPolarHBondContact O-CA 3.26Å
265P92.9Very high92.7Very high59 Ų5973.1 Ų73.138%0.38337%0.371SS..PPolyproline II helixtrans-62.4153.1167.528.5-34.5000110.6N250N250-P265 HydrophobicContact CB-CB 4.46Å; N250-P265 WeakPolarHBondContact OD1-CA 3.49Å; N250-P265 WeakPolarHBondContact OD1-CB 3.16Å
266L93.4Very high92.8Very high56 Ų5677.7 Ų77.729%0.29339%0.392SS..PPolyproline II helixtrans-71.4137178.5-82.376.1000110.3I249 N250 V271 L274I249-L266 HydrophobicContact CD1-CD2 4.45Å; I249-L266 HydrophobicContact CG2-CD1 4.02Å; I249-L266 HydrophobicContact CG2-CD2 4.23Å; N250-L266 PolarHBondContact ND2-O 3.39Å; N250-L266 PolarHBondContact OD1-N 3.32Å; L266-V271 HydrophobicContact CB-CG2 3.92Å; L266-V271 HydrophobicContact CD2-CG2 4.25Å; L266-L274 HydrophobicContact CD2-CD1 3.63Å
267K95Very high93Very high133 Ų13378.2 Ų78.258%0.57839%0.386SS*.PPolyproline II helixtrans-90.2162173.9-56.8-175.6176.7-174.80111.9E269 Q270 V271K267-E269 WeakPolarHBondContact CB-OE2 3.38Å; K267-E269 PolarHBondContact O-N 2.64Å; K267-Q270 WeakPolarHBondContact O-CB 3.29Å; K267-Q270 PolarHBondContact O-N 3.05Å; K267-V271 PolarHBondContact O-N 3.08Å
268Q94.6Very high93.2Very high100 Ų10076.7 Ų76.747%0.46738%0.381SS..Hα-helixtrans-52.6-39.6-177.6-162.1-174.445.100112.7V242 D243 M246 Q270 V271 Q272V242-Q268 HydrophobicContact CB-CG 4.19Å; V242-Q268 HydrophobicContact CG1-CG 3.68Å; V242-Q268 WeakPolarHBondContact CG1-O 3.3Å; D243-Q268 PolarHBondContact OD1-NE2 2.69Å; M246-Q268 HydrophobicContact SD-CB 4.22Å; M246-Q268 PolarHBondContact SD-N 2.89Å; Q268-Q270 PolarHBondContact O-N 3.17Å; Q268-V271 PolarHBondContact O-N 3.34Å; Q268-Q272 WeakPolarHBondContact O-CB 3.32Å; Q268-Q272 PolarHBondContact O-N 2.91Å
269E95.1Very high93.5Very high126 Ų12674.6 Ų74.659%0.58937%0.369SS*.Hα-helixtrans-68.7-33.6178.8-4387.8157.600112.3K267 V273K267-E269 WeakPolarHBondContact CB-OE2 3.38Å; K267-E269 PolarHBondContact O-N 2.64Å; E269-V273 WeakPolarHBondContact O-CG2 3.49Å; E269-V273 PolarHBondContact O-N 3.15Å
270Q95.2Very high93.6Very high101 Ų10173.3 Ų73.347%0.47237%0.366SS..Hα-helixtrans-74.3-36.2176.9-60174.8-50.700111.2K267 Q268 V273 L274K267-Q270 WeakPolarHBondContact O-CB 3.29Å; K267-Q270 PolarHBondContact O-N 3.05Å; Q268-Q270 PolarHBondContact O-N 3.17Å; Q270-V273 PolarHBondContact O-N 3.04Å; Q270-L274 PolarHBondContact O-N 2.77Å
271V96Very high93.8Very high0 Ų070.3 Ų70.30%035%0.354CS..Hα-helixtrans-70.9-36.3174.8-179.50000110.9V242 M245 M246 I249 L266 K267 Q268 V273 L274 I275V242-V271 HydrophobicContact CG1-CB 3.88Å; V242-V271 HydrophobicContact CG1-CG1 3.83Å; M245-V271 HydrophobicContact CB-CG1 3.82Å; M245-V271 HydrophobicContact CG-CG1 3.77Å; M246-V271 HydrophobicContact CB-CB 4.43Å; M246-V271 HydrophobicContact CB-CG1 4.39Å; M246-V271 HydrophobicContact CB-CG2 3.89Å; M246-V271 HydrophobicContact CG-CG2 4.07Å; I249-V271 HydrophobicContact CD1-CG1 4.35Å; I249-V271 HydrophobicContact CD1-CG2 4.2Å; L266-V271 HydrophobicContact CB-CG2 3.92Å; L266-V271 HydrophobicContact CD2-CG2 4.25Å; K267-V271 PolarHBondContact O-N 3.08Å; Q268-V271 PolarHBondContact O-N 3.34Å; V271-V273 VanDerWaalsContact C-N 3.32Å; V271-V273 PolarHBondContact O-N 3.47Å; V271-L274 WeakPolarHBondContact O-CB 3.38Å; V271-L274 PolarHBondContact O-N 2.78Å; V271-L274 VanDerWaalsContact O-N 3.09Å; V271-I275 HydrophobicContact CG1-CD1 4.31Å; V271-I275 WeakPolarHBondContact O-CG1 3.27Å; V271-I275 PolarHBondContact O-N 2.72Å
272Q96.6Very high94.1Very high40 Ų4067.9 Ų67.919%0.18735%0.349CS..Hα-helixtrans-57-43.7171.2178.458.926.600111.8Q268 L274 I275 E276 A285Q268-Q272 WeakPolarHBondContact O-CB 3.32Å; Q268-Q272 PolarHBondContact O-N 2.91Å; Q272-L274 VanDerWaalsContact C-N 3.32Å; Q272-L274 PolarHBondContact O-N 3.35Å; Q272-I275 PolarHBondContact O-N 3.48Å; Q272-E276 PolarHBondContact NE2-OE1 3.38Å; Q272-E276 WeakPolarHBondContact O-CG 3.43Å; Q272-E276 PolarHBondContact O-N 2.9Å; Q272-A285 PolarHBondContact NE2-O 2.65Å
273V96.6Very high94.5Very high91 Ų9167.2 Ų67.255%0.55235%0.351SS*.Hα-helixtrans-64.2-33.9175.1172.80000112.3E269 Q270 V271 E276 K277E269-V273 WeakPolarHBondContact O-CG2 3.49Å; E269-V273 PolarHBondContact O-N 3.15Å; Q270-V273 PolarHBondContact O-N 3.04Å; V271-V273 VanDerWaalsContact C-N 3.32Å; V271-V273 PolarHBondContact O-N 3.47Å; V273-E276 PolarHBondContact O-N 3.32Å; V273-K277 PolarHBondContact O-N 3.03Å
274L96.1Very high94.8Very high21 Ų2164.6 Ų64.611%0.1134%0.342CS..Hα-helixtrans-68.2-39.6172.7-67.4174.5000112.1I249 L266 Q270 V271 Q272 E276 K277 Y278 Y298 E303I249-L274 HydrophobicContact CD1-CD1 3.86Å; L266-L274 HydrophobicContact CD2-CD1 3.63Å; Q270-L274 PolarHBondContact O-N 2.77Å; V271-L274 WeakPolarHBondContact O-CB 3.38Å; V271-L274 PolarHBondContact O-N 2.78Å; V271-L274 VanDerWaalsContact O-N 3.09Å; Q272-L274 VanDerWaalsContact C-N 3.32Å; Q272-L274 PolarHBondContact O-N 3.35Å; L274-E276 VanDerWaalsContact C-N 3.34Å; L274-K277 PolarHBondContact O-N 3.09Å; L274-Y278 WeakPolarHBondContact O-CB 3.27Å; L274-Y278 WeakPolarHBondContact O-CD2 3.25Å; L274-Y278 PolarHBondContact O-N 3.39Å; L274-Y298 HydrophobicContact CD1-CE2 4.26Å; L274-E303 HydrophobicContact CD2-CG 3.94Å
275I96.6Very high94.9Very high1 Ų161 Ų611%0.00532%0.32CS..Hα-helixtrans-62.6-43.6173.8-67.3173.1000109.8V242 M245 V271 Q272 K277 Y278 E279 A285 I290V242-I275 HydrophobicContact CB-CD1 4.26Å; V242-I275 HydrophobicContact CG1-CD1 4.27Å; V242-I275 HydrophobicContact CG2-CD1 4.07Å; M245-I275 HydrophobicContact CB-CD1 4.45Å; V271-I275 HydrophobicContact CG1-CD1 4.31Å; V271-I275 WeakPolarHBondContact O-CG1 3.27Å; V271-I275 PolarHBondContact O-N 2.72Å; Q272-I275 PolarHBondContact O-N 3.48Å; I275-K277 VanDerWaalsContact C-N 3.34Å; I275-K277 PolarHBondContact O-N 3.09Å; I275-Y278 PolarHBondContact O-N 3.2Å; I275-E279 HydrophobicContact CG2-CB 4.16Å; I275-E279 WeakPolarHBondContact O-CB 3.43Å; I275-E279 PolarHBondContact O-N 3.28Å; I275-A285 HydrophobicContact CG2-CB 4.37Å; I275-I290 HydrophobicContact CD1-CB 4.49Å; I275-I290 HydrophobicContact CG1-CB 4.14Å; I275-I290 HydrophobicContact CG1-CD1 4.34Å; I275-I290 HydrophobicContact CG1-CG2 4.46Å; I275-I290 HydrophobicContact CG2-CB 4.26Å
276E96.2Very high95Very high111 Ų11166.7 Ų66.752%0.51934%0.339SS..Hα-helixtrans-66-29.8175.8-71.8172.9-17000113.9Q272 V273 L274 A285Q272-E276 PolarHBondContact NE2-OE1 3.38Å; Q272-E276 WeakPolarHBondContact O-CG 3.43Å; Q272-E276 PolarHBondContact O-N 2.9Å; V273-E276 PolarHBondContact O-N 3.32Å; L274-E276 VanDerWaalsContact C-N 3.34Å; E276-A285 HydrophobicContact CG-CB 4.5Å
277K95.6Very high95Very high92 Ų9270.2 Ų70.240%0.435%0.352SS..Hα-helixtrans-71.1-38.3172-175.5-178.2179.8-169.20112.3V273 L274 I275 E302 E303V273-K277 PolarHBondContact O-N 3.03Å; L274-K277 PolarHBondContact O-N 3.09Å; I275-K277 VanDerWaalsContact C-N 3.34Å; I275-K277 PolarHBondContact O-N 3.09Å; K277-E302 IonicContact NZ-OE2 2.69Å; K277-E302 PolarHBondContact NZ-OE2 3.45Å; K277-E303 IonicContact NZ-OE1 3.25Å; K277-E303 PolarHBondContact NZ-OE1 2.87Å; K277-E303 IonicContact NZ-OE2 2.72Å; K277-E303 PolarHBondContact NZ-OE2 2.93Å
278Y95.6Very high95Very high17 Ų1764.1 Ų64.17%0.06733%0.327CS..Hα-helixtrans-109-27.8-164.5-76.4-60.7000116.2L274 I275 P280 G294 R297 Y298 G301 E302 E303L274-Y278 WeakPolarHBondContact O-CB 3.27Å; L274-Y278 WeakPolarHBondContact O-CD2 3.25Å; L274-Y278 PolarHBondContact O-N 3.39Å; I275-Y278 PolarHBondContact O-N 3.2Å; Y278-P280 WeakPolarHBondContact O-CD 3.27Å; Y278-G294 WeakPolarHBondContact O-CA 3.48Å; Y278-R297 HydrophobicContact CD1-CB 3.69Å; Y278-R297 HydrophobicContact CE1-CB 4.43Å; Y278-R297 HydrophobicContact CG-CB 4.47Å; Y278-R297 WeakPolarHBondContact O-CD 3.31Å; Y278-Y298 HydrophobicContact CD2-CD2 4.06Å; Y278-Y298 HydrophobicContact CE2-CD2 4.15Å; Y278-G301 WeakPolarHBondContact OH-CA 3.49Å; Y278-E302 PolarHBondContact OH-N 3.15Å; Y278-E303 PolarHBondContact OH-OE2 2.98Å
279E96.2Very high95.1Very high12 Ų1261 Ų616%0.05631%0.312CS..  trans-77.8116.8-177.8175.249.5-133.800112I275 N281 L284 A285 I290 S291I275-E279 HydrophobicContact CG2-CB 4.16Å; I275-E279 WeakPolarHBondContact O-CB 3.43Å; I275-E279 PolarHBondContact O-N 3.28Å; E279-N281 VanDerWaalsContact C-N 3.33Å; E279-N281 PolarHBondContact O-N 2.89Å; E279-N281 WeakPolarHBondContact OE1-CA 3.22Å; E279-N281 WeakPolarHBondContact OE1-CB 3.25Å; E279-N281 PolarHBondContact OE1-N 3.21Å; E279-L284 HydrophobicContact CG-CB 4.03Å; E279-A285 HydrophobicContact CB-CB 4.09Å; E279-A285 HydrophobicContact CG-CB 4.08Å; E279-I290 HydrophobicContact CB-CG1 4.4Å; E279-S291 PolarHBondContact OE1-OG 3.18Å; E279-S291 VanDerWaalsContact OE2-CB 3.26Å; E279-S291 WeakPolarHBondContact OE2-CB 3.04Å; E279-S291 PolarHBondContact OE2-N 3.3Å; E279-S291 PolarHBondContact OE2-OG 3.19Å
280P92.2Very high95.1Very high59 Ų5955 Ų5538%0.38328%0.284SS..SBendtrans-65.5-31.6178.625.6-35.4000113.9Y278 S282 D293Y278-P280 WeakPolarHBondContact O-CD 3.27Å; P280-S282 PolarHBondContact O-N 3.06Å; P280-D293 HydrophobicContact CG-CB 4.46Å
281N93.8Very high95.1Very high78 Ų7851 Ų5142%0.41727%0.267SS..  trans-86.298.9-178.8-171.2-22.6000110.7E279 S283 L284 A285E279-N281 VanDerWaalsContact C-N 3.33Å; E279-N281 PolarHBondContact O-N 2.89Å; E279-N281 WeakPolarHBondContact OE1-CA 3.22Å; E279-N281 WeakPolarHBondContact OE1-CB 3.25Å; E279-N281 PolarHBondContact OE1-N 3.21Å; N281-S283 PolarHBondContact O-N 3.24Å; N281-S283 WeakPolarHBondContact OD1-CB 3.24Å; N281-S283 PolarHBondContact OD1-N 2.81Å; N281-L284 HydrophobicContact CB-CB 4.26Å; N281-L284 HydrophobicContact CB-CD1 4.05Å; N281-L284 HydrophobicContact CB-CG 4.04Å; N281-L284 WeakPolarHBondContact O-CA 3.2Å; N281-L284 PolarHBondContact O-N 3.48Å; N281-A285 PolarHBondContact O-N 2.77Å
282S93.7Very high95Very high79 Ų7952.7 Ų52.755%0.55228%0.278SS*.Hα-helixtrans-59.2-13.9179.5-38.50000114.6P280 K286P280-S282 PolarHBondContact O-N 3.06Å; S282-K286 WeakPolarHBondContact O-CB 3.44Å; S282-K286 WeakPolarHBondContact O-CD 3.38Å; S282-K286 VanDerWaalsContact O-CG 3.23Å; S282-K286 WeakPolarHBondContact O-CG 3.42Å; S282-K286 PolarHBondContact O-N 3.47Å
283S94.9Very high94.8Very high66 Ų6652.7 Ų52.746%0.46228%0.279SS..Hα-helixtrans-82.8-26172.4-167.40000113.2N281 K287N281-S283 PolarHBondContact O-N 3.24Å; N281-S283 WeakPolarHBondContact OD1-CB 3.24Å; N281-S283 PolarHBondContact OD1-N 2.81Å; S283-K287 WeakPolarHBondContact O-CD 3.23Å; S283-K287 VanDerWaalsContact O-CE 3.25Å; S283-K287 WeakPolarHBondContact O-CE 3.46Å; S283-K287 VanDerWaalsContact O-CG 3.31Å; S283-K287 WeakPolarHBondContact O-CG 3.29Å
284L94.3Very high94.7Very high33 Ų3348.3 Ų48.317%0.17325%0.252CS..Hα-helixtrans-82-45.9169.7-63.4-178.9000110.3E279 N281 K286 K287 G288 Q289E279-L284 HydrophobicContact CG-CB 4.03Å; N281-L284 HydrophobicContact CB-CB 4.26Å; N281-L284 HydrophobicContact CB-CD1 4.05Å; N281-L284 HydrophobicContact CB-CG 4.04Å; N281-L284 WeakPolarHBondContact O-CA 3.2Å; N281-L284 PolarHBondContact O-N 3.48Å; L284-K286 VanDerWaalsContact C-N 3.32Å; L284-K286 PolarHBondContact O-N 2.94Å; L284-K287 CarbonylContact O-C 3.46Å; L284-K287 WeakPolarHBondContact O-CA 3.32Å; L284-K287 WeakPolarHBondContact O-CB 3.26Å; L284-K287 PolarHBondContact O-N 2.91Å; L284-G288 PolarHBondContact O-N 2.74Å; L284-Q289 CarbonylContact C-O 3.58Å; L284-Q289 HydrophobicContact CB-CB 4.04Å; L284-Q289 WeakPolarHBondContact CB-O 3.26Å; L284-Q289 HydrophobicContact CD2-CB 4.28Å; L284-Q289 PolarHBondContact O-N 3.28Å
285A93.4Very high94.7Very high7 Ų747.3 Ų47.36%0.05825%0.247CC..Hα-helixtrans-54-46.9179.100000112.5Q272 I275 E276 E279 N281 K287 G288Q272-A285 PolarHBondContact NE2-O 2.65Å; I275-A285 HydrophobicContact CG2-CB 4.37Å; E276-A285 HydrophobicContact CG-CB 4.5Å; E279-A285 HydrophobicContact CB-CB 4.09Å; E279-A285 HydrophobicContact CG-CB 4.08Å; N281-A285 PolarHBondContact O-N 2.77Å; A285-K287 PolarHBondContact O-N 2.81Å; A285-K287 VanDerWaalsContact O-N 3.15Å; A285-G288 PolarHBondContact O-N 3.09Å
286K93.8Very high94.6Very high178 Ų17848.8 Ų48.877%0.77425%0.254SS*.THydrogen-bonded Turntrans-66.5-10176.3-73.5177.6-179.6-179.10115.3S282 L284S282-K286 WeakPolarHBondContact O-CB 3.44Å; S282-K286 WeakPolarHBondContact O-CD 3.38Å; S282-K286 VanDerWaalsContact O-CG 3.23Å; S282-K286 WeakPolarHBondContact O-CG 3.42Å; S282-K286 PolarHBondContact O-N 3.47Å; L284-K286 VanDerWaalsContact C-N 3.32Å; L284-K286 PolarHBondContact O-N 2.94Å
287K94.6Very high94.5Very high130 Ų13045.9 Ų45.957%0.56524%0.239SC*.THydrogen-bonded Turntrans-102.63.5173.7-65.7171.8-170.7163.60112.2S283 L284 A285 Q289S283-K287 WeakPolarHBondContact O-CD 3.23Å; S283-K287 VanDerWaalsContact O-CE 3.25Å; S283-K287 WeakPolarHBondContact O-CE 3.46Å; S283-K287 VanDerWaalsContact O-CG 3.31Å; S283-K287 WeakPolarHBondContact O-CG 3.29Å; L284-K287 CarbonylContact O-C 3.46Å; L284-K287 WeakPolarHBondContact O-CA 3.32Å; L284-K287 WeakPolarHBondContact O-CB 3.26Å; L284-K287 PolarHBondContact O-N 2.91Å; A285-K287 PolarHBondContact O-N 2.81Å; A285-K287 VanDerWaalsContact O-N 3.15Å; K287-Q289 VanDerWaalsContact C-N 3.34Å; K287-Q289 HydrophobicContact CB-CB 4.48Å; K287-Q289 HydrophobicContact CB-CG 4.05Å
288G94.4Very high94.6Very high5 Ų542 Ų425%0.05222%0.221CC..THydrogen-bonded Turntrans63.242.6-17100000112.3T241 V242 L284 A285T241-G288 CarbonylContact C-O 3.23Å; T241-G288 WeakPolarHBondContact CA-O 3.45Å; V242-G288 VanDerWaalsContact CG2-O 3.28Å; V242-G288 WeakPolarHBondContact CG2-O 3.32Å; V242-G288 PolarHBondContact N-O 3.25Å; L284-G288 PolarHBondContact O-N 2.74Å; A285-G288 PolarHBondContact O-N 3.09Å
289Q95.6Very high94.6Very high33 Ų3341.3 Ų41.315%0.15422%0.219CC..EExtended strand (participates in β ladder)trans-124.2133.5-178.9-67.7174-8.600109.8Y239 L240 L284 K287Y239-Q289 HydrophobicContact CD2-CB 4.05Å; Y239-Q289 HydrophobicContact CD2-CG 3.65Å; Y239-Q289 HydrophobicContact CE2-CG 3.94Å; Y239-Q289 HydrophobicContact CG-CB 4.18Å; Y239-Q289 HydrophobicContact CG-CG 4.19Å; L240-Q289 VanDerWaalsContact O-CA 3.31Å; L240-Q289 WeakPolarHBondContact O-CA 3.49Å; L284-Q289 CarbonylContact C-O 3.58Å; L284-Q289 HydrophobicContact CB-CB 4.04Å; L284-Q289 WeakPolarHBondContact CB-O 3.26Å; L284-Q289 HydrophobicContact CD2-CB 4.28Å; L284-Q289 PolarHBondContact O-N 3.28Å; K287-Q289 VanDerWaalsContact C-N 3.34Å; K287-Q289 HydrophobicContact CB-CB 4.48Å; K287-Q289 HydrophobicContact CB-CG 4.05Å
290I96.1Very high94.6Very high1 Ų141.3 Ų41.31%0.00522%0.22CC..EExtended strand (participates in β ladder)trans-121.3132.4177.9-169.5168.9000110.3Y239 L240 M245 I275 E279Y239-I290 CarbonylContact C-O 3.46Å; Y239-I290 VanDerWaalsContact CA-O 3.24Å; Y239-I290 WeakPolarHBondContact CA-O 3.28Å; L240-I290 HydrophobicContact CB-CG2 3.82Å; L240-I290 HydrophobicContact CG-CG2 4.44Å; L240-I290 PolarHBondContact N-O 2.89Å; L240-I290 PolarHBondContact O-N 2.98Å; M245-I290 HydrophobicContact CE-CD1 4.47Å; M245-I290 HydrophobicContact CG-CG2 4.49Å; M245-I290 HydrophobicContact SD-CG2 4.26Å; I275-I290 HydrophobicContact CD1-CB 4.49Å; I275-I290 HydrophobicContact CG1-CB 4.14Å; I275-I290 HydrophobicContact CG1-CD1 4.34Å; I275-I290 HydrophobicContact CG1-CG2 4.46Å; I275-I290 HydrophobicContact CG2-CB 4.26Å; E279-I290 HydrophobicContact CB-CG1 4.4Å
291S94.9Very high94.8Very high18 Ų1838.7 Ų38.713%0.12620%0.204CC..  trans-84.7173.2179.168.40000111.8F229 E279 D293 G294 F295F229-S291 VanDerWaalsContact CE2-C 3.44Å; F229-S291 WeakPolarHBondContact CE2-O 3.22Å; E279-S291 PolarHBondContact OE1-OG 3.18Å; E279-S291 VanDerWaalsContact OE2-CB 3.26Å; E279-S291 WeakPolarHBondContact OE2-CB 3.04Å; E279-S291 PolarHBondContact OE2-N 3.3Å; E279-S291 PolarHBondContact OE2-OG 3.19Å; S291-D293 VanDerWaalsContact C-N 3.27Å; S291-D293 PolarHBondContact O-N 3.22Å; S291-D293 PolarHBondContact OG-N 3.41Å; S291-G294 PolarHBondContact O-N 3.42Å; S291-G294 PolarHBondContact OG-N 3.41Å; S291-G294 VanDerWaalsContact OG-N 3.15Å; S291-F295 WeakPolarHBondContact O-CB 3.34Å; S291-F295 PolarHBondContact O-N 2.92Å
292V93.3Very high94.7Very high35 Ų3541.2 Ų41.221%0.21221%0.213CC..Hα-helixtrans-58.9-38.8173.3-170.10000111.4F229 F295 M296F229-V292 HydrophobicContact CD1-CG2 3.69Å; F229-V292 HydrophobicContact CD2-CB 4.43Å; F229-V292 HydrophobicContact CD2-CG2 4.16Å; F229-V292 HydrophobicContact CE1-CG2 3.72Å; F229-V292 HydrophobicContact CE2-CB 4.48Å; F229-V292 HydrophobicContact CE2-CG2 4.18Å; F229-V292 HydrophobicContact CG-CG2 3.9Å; F229-V292 HydrophobicContact CZ-CG2 3.94Å; V292-F295 PolarHBondContact O-N 3.45Å; V292-M296 HydrophobicContact CG1-CE 4.48Å; V292-M296 WeakPolarHBondContact O-CB 3.45Å; V292-M296 WeakPolarHBondContact O-CG 3.42Å; V292-M296 PolarHBondContact O-N 2.91Å
293D92.6Very high94.6Very high39 Ų3940.6 Ų40.621%0.20920%0.202CC..Hα-helixtrans-70.2-40.3178.6-165.265.8000111.5N217 P280 S291 F295 M296 R297N217-D293 PolarHBondContact ND2-OD1 2.88Å; P280-D293 HydrophobicContact CG-CB 4.46Å; S291-D293 VanDerWaalsContact C-N 3.27Å; S291-D293 PolarHBondContact O-N 3.22Å; S291-D293 PolarHBondContact OG-N 3.41Å; D293-F295 VanDerWaalsContact C-N 3.34Å; D293-F295 PolarHBondContact O-N 3.19Å; D293-M296 HydrophobicContact CB-CE 4.41Å; D293-M296 PolarHBondContact O-N 3.39Å; D293-R297 WeakPolarHBondContact O-CD 3.43Å; D293-R297 WeakPolarHBondContact O-CG 3.47Å; D293-R297 PolarHBondContact O-N 3Å; D293-R297 IonicContact OD2-CZ 2.77Å; D293-R297 IonicContact OD2-NE 2.78Å; D293-R297 PolarHBondContact OD2-NE 3.48Å; D293-R297 IonicContact OD2-NH2 3.69Å; D293-R297 PolarHBondContact OD2-NH2 3.2Å
294G94.8Very high94.6Very high0 Ų037.7 Ų37.70%018%0.181CC..Hα-helixtrans-59.1-43.7170.400000112.6Y278 S291 R297 Y298Y278-G294 WeakPolarHBondContact O-CA 3.48Å; S291-G294 PolarHBondContact O-N 3.42Å; S291-G294 PolarHBondContact OG-N 3.41Å; S291-G294 VanDerWaalsContact OG-N 3.15Å; G294-R297 PolarHBondContact O-N 2.93Å; G294-Y298 PolarHBondContact O-N 2.63Å
295F95.8Very high94.6Very high0 Ų037.3 Ų37.30%019%0.185CC..Hα-helixtrans-67.4-40.4177.5-175.4-107.7000112.5I225 I228 F229 L240 M245 F248 S291 V292 D293 R297 Y298 L299I225-F295 HydrophobicContact CG2-CD1 3.89Å; I225-F295 HydrophobicContact CG2-CE1 4.13Å; I228-F295 HydrophobicContact CG2-CE1 4Å; I228-F295 HydrophobicContact CG2-CZ 4.13Å; F229-F295 HydrophobicContact CB-CD1 4.41Å; F229-F295 HydrophobicContact CD2-CB 3.74Å; F229-F295 AromaticContact CD2-CD1 3.77Å; F229-F295 HydrophobicContact CD2-CD1 3.77Å; F229-F295 HydrophobicContact CD2-CE1 4.48Å; F229-F295 AromaticContact CD2-CG 3.78Å; F229-F295 HydrophobicContact CD2-CG 3.78Å; F229-F295 HydrophobicContact CE2-CB 3.83Å; F229-F295 HydrophobicContact CE2-CG 4.27Å; L240-F295 HydrophobicContact CD1-CD2 4.19Å; L240-F295 HydrophobicContact CD1-CE2 4.32Å; M245-F295 HydrophobicContact CE-CD2 4.1Å; M245-F295 HydrophobicContact CE-CE2 4.37Å; M245-F295 HydrophobicContact SD-CD2 3.91Å; M245-F295 HydrophobicContact SD-CE2 4.13Å; F248-F295 AromaticContact CD1-CE2 3.84Å; F248-F295 HydrophobicContact CD1-CE2 3.84Å; F248-F295 HydrophobicContact CD1-CZ 4.43Å; F248-F295 HydrophobicContact CD2-CZ 4.44Å; F248-F295 AromaticContact CE1-CE2 3.58Å; F248-F295 HydrophobicContact CE1-CE2 3.58Å; F248-F295 AromaticContact CE1-CZ 3.9Å; F248-F295 HydrophobicContact CE1-CZ 3.9Å; F248-F295 HydrophobicContact CE2-CE2 4.27Å; F248-F295 AromaticContact CE2-CZ 3.91Å; F248-F295 HydrophobicContact CE2-CZ 3.91Å; F248-F295 HydrophobicContact CG-CE2 4.31Å; F248-F295 AromaticContact CZ-CE2 3.82Å; F248-F295 HydrophobicContact CZ-CE2 3.82Å; F248-F295 AromaticContact CZ-CZ 3.62Å; F248-F295 HydrophobicContact CZ-CZ 3.62Å; S291-F295 WeakPolarHBondContact O-CB 3.34Å; S291-F295 PolarHBondContact O-N 2.92Å; V292-F295 PolarHBondContact O-N 3.45Å; D293-F295 VanDerWaalsContact C-N 3.34Å; D293-F295 PolarHBondContact O-N 3.19Å; F295-R297 VanDerWaalsContact C-N 3.31Å; F295-R297 PolarHBondContact O-N 2.69Å; F295-Y298 PolarHBondContact O-N 2.76Å; F295-L299 HydrophobicContact CD1-CD1 3.84Å; F295-L299 HydrophobicContact CD1-CG 4.39Å; F295-L299 HydrophobicContact CE1-CD1 3.52Å; F295-L299 HydrophobicContact CE1-CG 4.16Å; F295-L299 HydrophobicContact CZ-CD1 4.07Å; F295-L299 HydrophobicContact CZ-CD2 4.45Å; F295-L299 HydrophobicContact CZ-CG 4.31Å; F295-L299 WeakPolarHBondContact O-CG 3.39Å; F295-L299 PolarHBondContact O-N 3.29Å
296M94.4Very high94.7Very high31 Ų3137.6 Ų37.615%0.15319%0.186CC..Hα-helixtrans-59.7-40.1171.6-79.8-166.6-64.900112.1R222 I225 V292 D293 S300R222-M296 HydrophobicContact CB-SD 4.27Å; R222-M296 HydrophobicContact CG-SD 4.38Å; I225-M296 HydrophobicContact CB-CG 4.37Å; I225-M296 HydrophobicContact CD1-CG 3.91Å; I225-M296 HydrophobicContact CD1-SD 4.45Å; I225-M296 HydrophobicContact CG2-CG 3.77Å; V292-M296 HydrophobicContact CG1-CE 4.48Å; V292-M296 WeakPolarHBondContact O-CB 3.45Å; V292-M296 WeakPolarHBondContact O-CG 3.42Å; V292-M296 PolarHBondContact O-N 2.91Å; D293-M296 HydrophobicContact CB-CE 4.41Å; D293-M296 PolarHBondContact O-N 3.39Å; M296-S300 VanDerWaalsContact O-CB 3.31Å; M296-S300 WeakPolarHBondContact O-CB 3.26Å; M296-S300 PolarHBondContact O-N 2.89Å; M296-S300 VanDerWaalsContact O-N 3.07Å; M296-S300 PolarHBondContact O-OG 3Å
297R94.9Very high94.8Very high51 Ų5129.9 Ų29.919%0.19215%0.154CC..Hα-helixtrans-67.6-43.8175.8-65.1159.6-175.1-130.84.9111.7Y278 D293 G294 F295 S300 G301Y278-R297 HydrophobicContact CD1-CB 3.69Å; Y278-R297 HydrophobicContact CE1-CB 4.43Å; Y278-R297 HydrophobicContact CG-CB 4.47Å; Y278-R297 WeakPolarHBondContact O-CD 3.31Å; D293-R297 WeakPolarHBondContact O-CD 3.43Å; D293-R297 WeakPolarHBondContact O-CG 3.47Å; D293-R297 PolarHBondContact O-N 3Å; D293-R297 IonicContact OD2-CZ 2.77Å; D293-R297 IonicContact OD2-NE 2.78Å; D293-R297 PolarHBondContact OD2-NE 3.48Å; D293-R297 IonicContact OD2-NH2 3.69Å; D293-R297 PolarHBondContact OD2-NH2 3.2Å; G294-R297 PolarHBondContact O-N 2.93Å; F295-R297 VanDerWaalsContact C-N 3.31Å; F295-R297 PolarHBondContact O-N 2.69Å; R297-S300 CarbonylContact O-C 3.59Å; R297-S300 PolarHBondContact O-N 3.01Å; R297-G301 WeakPolarHBondContact O-CA 3.29Å; R297-G301 PolarHBondContact O-N 3.16Å
298Y96.9Very high94.5Very high10 Ų1024.4 Ų24.44%0.03913%0.132CC..Hα-helixtrans-56.9-50.9172.8168-91.8000111.5M245 F248 I249 L274 Y278 G294 F295 S300 G301 N304M245-Y298 HydrophobicContact CE-CD1 3.46Å; M245-Y298 VanDerWaalsContact CE-CD1 3.46Å; M245-Y298 HydrophobicContact CE-CD2 3.86Å; M245-Y298 HydrophobicContact CE-CE1 3.85Å; M245-Y298 HydrophobicContact CE-CE2 4.2Å; M245-Y298 HydrophobicContact CE-CG 3.48Å; M245-Y298 VanDerWaalsContact CE-CG 3.48Å; F248-Y298 HydrophobicContact CE1-CE1 4.04Å; I249-Y298 HydrophobicContact CD1-CE2 4.31Å; L274-Y298 HydrophobicContact CD1-CE2 4.26Å; Y278-Y298 HydrophobicContact CD2-CD2 4.06Å; Y278-Y298 HydrophobicContact CE2-CD2 4.15Å; G294-Y298 PolarHBondContact O-N 2.63Å; F295-Y298 PolarHBondContact O-N 2.76Å; Y298-S300 PolarHBondContact O-N 2.85Å; Y298-G301 PolarHBondContact O-N 3.32Å; Y298-N304 HydrophobicContact CE1-CB 4.16Å; Y298-N304 WeakPolarHBondContact O-CB 3.21Å
299L96.8Very high94.3Very high2 Ų226.2 Ų26.21%0.0114%0.142CC..Hα-helixtrans-58.7-34.6179.8-76.3176000112.1I225 F248 F295 G301 N304 Y773 F790I225-L299 HydrophobicContact CD1-CD1 4.09Å; I225-L299 HydrophobicContact CG1-CD1 4.49Å; I225-L299 HydrophobicContact CG2-CD1 4.15Å; F248-L299 HydrophobicContact CZ-CD2 4.21Å; F295-L299 HydrophobicContact CD1-CD1 3.84Å; F295-L299 HydrophobicContact CD1-CG 4.39Å; F295-L299 HydrophobicContact CE1-CD1 3.52Å; F295-L299 HydrophobicContact CE1-CG 4.16Å; F295-L299 HydrophobicContact CZ-CD1 4.07Å; F295-L299 HydrophobicContact CZ-CD2 4.45Å; F295-L299 HydrophobicContact CZ-CG 4.31Å; F295-L299 WeakPolarHBondContact O-CG 3.39Å; F295-L299 PolarHBondContact O-N 3.29Å; L299-G301 VanDerWaalsContact C-N 3.34Å; L299-N304 PolarHBondContact O-ND2 2.81Å; L299-Y773 HydrophobicContact CB-CE2 4.11Å; L299-Y773 VanDerWaalsContact O-CD2 3.28Å; L299-Y773 WeakPolarHBondContact O-CD2 3.46Å; L299-F790 HydrophobicContact CD1-CE2 4.31Å; L299-F790 HydrophobicContact CD1-CZ 4.05Å
300S95.8Very high94Very high13 Ų1326.1 Ų26.19%0.09114%0.142CC..THydrogen-bonded Turntrans-85.4-6.2179.2-50.60000113.8S147 R148 D149 M296 R297 Y298 Y773S147-S300 WeakPolarHBondContact CB-O 3.18Å; R148-S300 PolarHBondContact N-O 3.27Å; D149-S300 PolarHBondContact N-O 3.05Å; M296-S300 VanDerWaalsContact O-CB 3.31Å; M296-S300 WeakPolarHBondContact O-CB 3.26Å; M296-S300 PolarHBondContact O-N 2.89Å; M296-S300 VanDerWaalsContact O-N 3.07Å; M296-S300 PolarHBondContact O-OG 3Å; R297-S300 CarbonylContact O-C 3.59Å; R297-S300 PolarHBondContact O-N 3.01Å; Y298-S300 PolarHBondContact O-N 2.85Å; S300-Y773 WeakPolarHBondContact OG-CE2 3.31Å
301G95.4Very high93.7Very high4 Ų429.1 Ų29.14%0.04116%0.155CC..SBendtrans-82.7-175.7-168.300000115.3S147 Y278 R297 Y298 L299S147-G301 VanDerWaalsContact CB-C 3.49Å; S147-G301 WeakPolarHBondContact CB-O 3.43Å; Y278-G301 WeakPolarHBondContact OH-CA 3.49Å; R297-G301 WeakPolarHBondContact O-CA 3.29Å; R297-G301 PolarHBondContact O-N 3.16Å; Y298-G301 PolarHBondContact O-N 3.32Å; L299-G301 VanDerWaalsContact C-N 3.34Å
302E91.9Very high93.6Very high130 Ų13028.5 Ų28.561%0.60715%0.15SC*.SBendtrans-79-41.9-173.5-59.1167.8121.900111.7K277 Y278 N304 G305K277-E302 IonicContact NZ-OE2 2.69Å; K277-E302 PolarHBondContact NZ-OE2 3.45Å; Y278-E302 PolarHBondContact OH-N 3.15Å; E302-N304 PolarHBondContact O-N 3.46Å; E302-G305 PolarHBondContact O-N 3.28Å
303E92.2Very high93.7Very high67 Ų6727.1 Ų27.131%0.31314%0.141SC..THydrogen-bonded Turntrans-61.6-31.1178.9-718118000112L274 K277 Y278 G305 R768L274-E303 HydrophobicContact CD2-CG 3.94Å; K277-E303 IonicContact NZ-OE1 3.25Å; K277-E303 PolarHBondContact NZ-OE1 2.87Å; K277-E303 IonicContact NZ-OE2 2.72Å; K277-E303 PolarHBondContact NZ-OE2 2.93Å; Y278-E303 PolarHBondContact OH-OE2 2.98Å; E303-G305 PolarHBondContact O-N 3.37Å; E303-R768 PolarHBondContact O-NH1 3.05Å
304N95.8Very high93.7Very high5 Ų527.7 Ų27.73%0.02714%0.144CC..THydrogen-bonded Turntrans-91.320.8-177.5-160.854.3000114.7Q253 Y298 L299 E302 Y771 H772Q253-N304 PolarHBondContact NE2-OD1 2.81Å; Y298-N304 HydrophobicContact CE1-CB 4.16Å; Y298-N304 WeakPolarHBondContact O-CB 3.21Å; L299-N304 PolarHBondContact O-ND2 2.81Å; E302-N304 PolarHBondContact O-N 3.46Å; N304-Y771 PolarHBondContact ND2-O 2.97Å; N304-H772 PolarHBondContact O-ND1 3.17Å
305G94.4Very high93.4Very high24 Ų2430 Ų3025%0.24716%0.157CC..  trans-61.4137.5172.600000112.9E302 E303 V307 R768E302-G305 PolarHBondContact O-N 3.28Å; E303-G305 PolarHBondContact O-N 3.37Å; G305-V307 PolarHBondContact O-N 3.1Å; G305-R768 WeakPolarHBondContact O-CD 3.29Å; G305-R768 PolarHBondContact O-NH1 3.32Å
306V95.4Very high93.3Very high14 Ų1432 Ų329%0.08517%0.166CC..SBendtrans-65-21.6-17966.30000114.3L762 R768 H772 I774 I793V306-L762 HydrophobicContact CG1-CD2 4.36Å; V306-L762 HydrophobicContact CG2-CD1 4.21Å; V306-R768 PolarHBondContact O-N 2.95Å; V306-H772 HydrophobicContact CB-CB 3.94Å; V306-H772 HydrophobicContact CG2-CB 4.15Å; V306-I774 HydrophobicContact CG1-CG1 4.3Å; V306-I774 HydrophobicContact CG2-CD1 4.4Å; V306-I774 HydrophobicContact CG2-CG1 4.3Å; V306-I793 HydrophobicContact CG2-CD1 4Å
307V93.9Very high93.3Very high16 Ų1633.6 Ų33.610%0.09718%0.175CC..BIsolated β-bridgetrans-124.9138.7172.2167.70000106.7G305 K311 L312 Y642 L762G305-V307 PolarHBondContact O-N 3.1Å; V307-K311 HydrophobicContact CG1-CB 4.07Å; V307-L312 HydrophobicContact CG1-CD1 4.45Å; V307-L312 HydrophobicContact CG1-CD2 4.03Å; V307-L312 HydrophobicContact CG1-CG 3.91Å; V307-Y642 HydrophobicContact CG1-CE1 3.95Å; V307-Y642 HydrophobicContact CG2-CE1 4.38Å; V307-L762 HydrophobicContact CG2-CD2 3.67Å
308S89.4Confident93.4Very high15 Ų1531.9 Ų31.911%0.10517%0.17CC..  trans-82147.8178.986.90000111.9E310 K311S308-E310 WeakPolarHBondContact CB-OE2 2.99Å; S308-E310 PolarHBondContact O-N 2.85Å; S308-E310 PolarHBondContact OG-OE2 2.8Å; S308-K311 WeakPolarHBondContact O-CB 3.4Å; S308-K311 PolarHBondContact O-N 3.29Å
309P91Very high93.5Very high42 Ų4234.5 Ų34.527%0.27319%0.189SC..Hα-helixtrans-55.2-35.5179.3-27.936.8000113.5L11 L142 K311 L312 D313L11-P309 HydrophobicContact CD1-CB 3.75Å; L11-P309 HydrophobicContact CD2-CB 3.79Å; L11-P309 HydrophobicContact CG-CB 4.46Å; L142-P309 HydrophobicContact CD2-CB 4.12Å; P309-K311 PolarHBondContact O-N 3.07Å; P309-L312 PolarHBondContact O-N 2.97Å; P309-L312 VanDerWaalsContact O-N 3.1Å; P309-D313 PolarHBondContact O-N 3.3Å; P309-D313 VanDerWaalsContact O-N 3.09Å
310E88.6Confident93.5Very high32 Ų3236.7 Ų36.715%0.1520%0.199CC..Hα-helixtrans-68-18.1179.7-44.274.7-163.900112.4M1 L11 S308 N315M1-E310 WeakPolarHBondContact CE-OE1 3.37Å; L11-E310 HydrophobicContact CD1-CG 4.46Å; S308-E310 WeakPolarHBondContact CB-OE2 2.99Å; S308-E310 PolarHBondContact O-N 2.85Å; S308-E310 PolarHBondContact OG-OE2 2.8Å; E310-N315 WeakPolarHBondContact O-CB 3.14Å; E310-N315 PolarHBondContact O-ND2 2.92Å
311K90.3Very high93.6Very high64 Ų6437.4 Ų37.428%0.27820%0.204SC..Hα-helixtrans-86.2-21.2173.4-66.7-66.6-174.9-178.40113.2V307 S308 P309 Y642 A766V307-K311 HydrophobicContact CG1-CB 4.07Å; S308-K311 WeakPolarHBondContact O-CB 3.4Å; S308-K311 PolarHBondContact O-N 3.29Å; P309-K311 PolarHBondContact O-N 3.07Å; K311-Y642 WeakPolarHBondContact O-CD1 3.44Å; K311-A766 HydrophobicContact CB-CB 4.11Å; K311-A766 HydrophobicContact CD-CB 4.47Å; K311-A766 HydrophobicContact CG-CB 4.21Å
312L92.7Very high93.8Very high5 Ų537.2 Ų37.23%0.02620%0.202CC..Hα-helixtrans-84.5-32.4174-63.7169.1000111.7L13 N145 V307 P309 E641 Y642 G644L13-L312 HydrophobicContact CD1-CB 4.17Å; N145-L312 HydrophobicContact CB-CD1 3.55Å; N145-L312 VanDerWaalsContact CG-CD1 3.44Å; V307-L312 HydrophobicContact CG1-CD1 4.45Å; V307-L312 HydrophobicContact CG1-CD2 4.03Å; V307-L312 HydrophobicContact CG1-CG 3.91Å; P309-L312 PolarHBondContact O-N 2.97Å; P309-L312 VanDerWaalsContact O-N 3.1Å; L312-E641 HydrophobicContact CD2-CG 4.47Å; L312-Y642 HydrophobicContact CD2-CD1 4.1Å; L312-Y642 HydrophobicContact CD2-CE1 3.96Å; L312-G644 WeakPolarHBondContact O-CA 3.34Å; L312-G644 PolarHBondContact O-N 2.65Å
313D94.2Very high94.1Very high5 Ų531.1 Ų31.13%0.02717%0.174CC..SBendtrans-63.8167.4179-16214.1000113.6H9 L11 Q12 L13 P309 N315 N643 G644H9-D313 IonicContact CD2-OD2 2.69Å; H9-D313 IonicContact CE1-OD2 3.29Å; H9-D313 IonicContact NE2-OD2 2.69Å; H9-D313 PolarHBondContact NE2-OD2 3.07Å; L11-D313 HydrophobicContact CD1-CB 3.94Å; Q12-D313 PolarHBondContact N-OD2 3.36Å; L13-D313 HydrophobicContact CD1-CB 3.95Å; L13-D313 HydrophobicContact CG-CB 3.84Å; P309-D313 PolarHBondContact O-N 3.3Å; P309-D313 VanDerWaalsContact O-N 3.09Å; D313-N315 PolarHBondContact O-N 3.12Å; D313-N643 VanDerWaalsContact O-CA 3.28Å; D313-N643 WeakPolarHBondContact O-CA 3.36Å; D313-G644 PolarHBondContact O-N 3.5Å
314L92.6Very high94.4Very high51 Ų5129 Ų2927%0.26716%0.164SC..SBendtrans-72.886.1173.3-173.378.6000109.9H9 M318 F405 N643H9-L314 PolarHBondContact CE1-O 2.77Å; L314-M318 HydrophobicContact CD1-CG 4.37Å; L314-F405 HydrophobicContact CD1-CE2 3.66Å; L314-F405 HydrophobicContact CD1-CZ 4.09Å; L314-F405 HydrophobicContact CD2-CE2 4.06Å; L314-F405 HydrophobicContact CD2-CZ 4.04Å; L314-N643 WeakPolarHBondContact CA-OD1 3.17Å; L314-N643 WeakPolarHBondContact CD1-OD1 3.49Å
315N89.3Confident94.5Very high50 Ų5028.8 Ų28.827%0.26716%0.163SC..  trans-118.3-5.1-169.571.9-7.3000114.5E310 D313 N643E310-N315 WeakPolarHBondContact O-CB 3.14Å; E310-N315 PolarHBondContact O-ND2 2.92Å; D313-N315 PolarHBondContact O-N 3.12Å; N315-N643 PolarHBondContact N-OD1 2.8Å
316E93.3Very high94.7Very high40 Ų4027.8 Ų27.819%0.18715%0.151CC..SBendtrans-91150.6-179.7-53.9-169.3154.800110.5M318 N643 R649 L650E316-M318 WeakPolarHBondContact O-CG 3.49Å; E316-M318 PolarHBondContact O-N 3.48Å; E316-M318 VanDerWaalsContact O-N 3.16Å; E316-N643 HydrophobicContact CG-CB 4.09Å; E316-N643 PolarHBondContact N-OD1 2.82Å; E316-N643 VanDerWaalsContact N-OD1 3.13Å; E316-R649 IonicContact OE1-CZ 3.81Å; E316-R649 IonicContact OE1-NH1 3.2Å; E316-R649 PolarHBondContact OE1-NH1 3.24Å; E316-R649 IonicContact OE1-NH2 2.69Å; E316-R649 PolarHBondContact OE1-NH2 3.17Å; E316-R649 WeakPolarHBondContact OE2-CA 3.12Å; E316-R649 IonicContact OE2-CZ 3.49Å; E316-R649 IonicContact OE2-NH1 2.77Å; E316-R649 PolarHBondContact OE2-NH1 3.36Å; E316-R649 IonicContact OE2-NH2 2.69Å; E316-L650 HydrophobicContact CB-CB 4.07Å; E316-L650 PolarHBondContact OE2-N 3.11Å
317D95.4Very high94.9Very high66 Ų6627.1 Ų27.135%0.35315%0.147SC..  trans-63.1117.7175175.116.8000110S319 Q320 Y325 L650D317-S319 VanDerWaalsContact OD1-CB 3.32Å; D317-S319 WeakPolarHBondContact OD1-CB 3.42Å; D317-S319 PolarHBondContact OD1-N 2.65Å; D317-S319 PolarHBondContact OD1-OG 3.15Å; D317-S319 PolarHBondContact OD2-OG 3.11Å; D317-Q320 WeakPolarHBondContact OD2-CG 3.41Å; D317-Q320 PolarHBondContact OD2-NE2 3.34Å; D317-Y325 WeakPolarHBondContact O-CE1 3.36Å; D317-Y325 PolarHBondContact O-OH 3.29Å; D317-L650 HydrophobicContact CB-CD2 4.16Å
318M97.4Very high95.1Very high14 Ų1426.5 Ų26.57%0.06914%0.144CC..  trans-97.75.1179.2-61-54.8-67.700113.4L314 E316 Y325 F405 P455 M456 N643 Y648L314-M318 HydrophobicContact CD1-CG 4.37Å; E316-M318 WeakPolarHBondContact O-CG 3.49Å; E316-M318 PolarHBondContact O-N 3.48Å; E316-M318 VanDerWaalsContact O-N 3.16Å; M318-Y325 WeakPolarHBondContact CA-OH 3.45Å; M318-Y325 HydrophobicContact CE-CE1 4.35Å; M318-Y325 HydrophobicContact SD-CE1 3.96Å; M318-F405 HydrophobicContact CB-CE1 3.96Å; M318-F405 HydrophobicContact CB-CZ 4.2Å; M318-F405 HydrophobicContact CE-CD1 3.68Å; M318-F405 HydrophobicContact CE-CD2 4.14Å; M318-F405 HydrophobicContact CE-CE1 3.59Å; M318-F405 HydrophobicContact CE-CE2 4.05Å; M318-F405 HydrophobicContact CE-CG 3.96Å; M318-F405 HydrophobicContact CE-CZ 3.78Å; M318-F405 HydrophobicContact CG-CE1 4Å; M318-F405 HydrophobicContact CG-CZ 3.79Å; M318-F405 HydrophobicContact SD-CZ 4.5Å; M318-P455 HydrophobicContact CE-CB 3.85Å; M318-P455 HydrophobicContact CE-CG 4.33Å; M318-P455 WeakPolarHBondContact O-CD 3.26Å; M318-M456 HydrophobicContact CB-CB 4.29Å; M318-M456 VanDerWaalsContact O-CB 3.25Å; M318-M456 WeakPolarHBondContact O-CB 3.21Å; M318-M456 PolarHBondContact O-N 3.21Å; M318-M456 VanDerWaalsContact O-N 3.12Å; M318-N643 PolarHBondContact SD-ND2 3.43Å; M318-N643 VanDerWaalsContact SD-ND2 3.35Å; M318-Y648 HydrophobicContact CE-CG 4.18Å
319S97.2Very high95.6Very high65 Ų6525.8 Ų25.846%0.45514%0.139SC..  trans-97.20.6-177.273.90000114.9D317 Y325 S454D317-S319 VanDerWaalsContact OD1-CB 3.32Å; D317-S319 WeakPolarHBondContact OD1-CB 3.42Å; D317-S319 PolarHBondContact OD1-N 2.65Å; D317-S319 PolarHBondContact OD1-OG 3.15Å; D317-S319 PolarHBondContact OD2-OG 3.11Å; S319-Y325 PolarHBondContact N-OH 3Å; S319-S454 VanDerWaalsContact C-CB 3.42Å; S319-S454 WeakPolarHBondContact O-CB 3.38Å
320Q98.1Very high95.9Very high48 Ų4823.8 Ų23.822%0.22413%0.126CC..SBendtrans-74158.8174.1-56.9-73.1-54.500110.9D317 H324 Y325 S454 P455 L650D317-Q320 WeakPolarHBondContact OD2-CG 3.41Å; D317-Q320 PolarHBondContact OD2-NE2 3.34Å; Q320-H324 HydrophobicContact CB-CB 3.78Å; Q320-H324 PolarHBondContact OE1-ND1 3.01Å; Q320-H324 VanDerWaalsContact OE1-ND1 3.08Å; Q320-Y325 HydrophobicContact CB-CE2 3.84Å; Q320-Y325 VanDerWaalsContact CB-OH 3.3Å; Q320-Y325 WeakPolarHBondContact CB-OH 3.19Å; Q320-Y325 PolarHBondContact N-OH 2.8Å; Q320-Y325 VanDerWaalsContact N-OH 3.12Å; Q320-Y325 WeakPolarHBondContact O-CE2 3.3Å; Q320-S454 WeakPolarHBondContact O-CA 3.26Å; Q320-S454 WeakPolarHBondContact O-CB 3.46Å; Q320-P455 VanDerWaalsContact O-CD 3.24Å; Q320-P455 WeakPolarHBondContact O-CD 3.01Å; Q320-L650 HydrophobicContact CB-CD1 4.27Å; Q320-L650 HydrophobicContact CG-CD1 3.86Å
321P98.2Very high96.4Very high28 Ų2823 Ų2318%0.18212%0.122CC..  trans-51.7147.1171.1-3036.9000113.8S323 H324 Y325 P451 L452P321-S323 PolarHBondContact O-N 2.86Å; P321-H324 VanDerWaalsContact O-CB 3.26Å; P321-H324 WeakPolarHBondContact O-CB 3.4Å; P321-H324 PolarHBondContact O-N 3.45Å; P321-Y325 WeakPolarHBondContact O-CD2 3.35Å; P321-Y325 WeakPolarHBondContact O-CE2 3.37Å; P321-P451 HydrophobicContact CB-CB 4.41Å; P321-P451 HydrophobicContact CG-CB 4.07Å; P321-L452 WeakPolarHBondContact CA-O 3.48Å; P321-L452 HydrophobicContact CB-CB 4.48Å; P321-L452 WeakPolarHBondContact CB-O 3.28Å
322L98.3Very high96.8Very high0 Ų020.2 Ų20.20%011%0.11CC..G310 helixtrans-54.2-28.8-179.5-172.763.9000114.1H324 I327 L408 L452 P453 P455 I547 L594 Y648L322-H324 PolarHBondContact O-N 3.42Å; L322-I327 HydrophobicContact CD1-CD1 4.03Å; L322-I327 HydrophobicContact CG-CD1 4.29Å; L322-L408 HydrophobicContact CD2-CD2 4.37Å; L322-L452 HydrophobicContact CB-CB 3.94Å; L322-L452 HydrophobicContact CB-CD1 4.06Å; L322-P453 WeakPolarHBondContact CB-O 3.47Å; L322-P453 PolarHBondContact N-O 3Å; L322-P455 HydrophobicContact CD1-CG 4.1Å; L322-I547 HydrophobicContact CD2-CD1 3.83Å; L322-L594 HydrophobicContact CD2-CD1 4.18Å; L322-Y648 HydrophobicContact CD1-CE1 3.61Å
323S98.3Very high97Very high3 Ų320.1 Ų20.12%0.02111%0.11CC..G310 helixtrans-64-19.8174.254.80000114.1P321 Y325 K591 Q620 K651P321-S323 PolarHBondContact O-N 2.86Å; S323-Y325 VanDerWaalsContact C-N 3.32Å; S323-Y325 PolarHBondContact O-N 3.1Å; S323-K591 WeakPolarHBondContact CB-O 3.35Å; S323-K591 PolarHBondContact OG-O 3.49Å; S323-Q620 PolarHBondContact O-NE2 3.23Å; S323-K651 VanDerWaalsContact O-CE 3.26Å; S323-K651 WeakPolarHBondContact O-CE 3.41Å; S323-K651 PolarHBondContact O-NZ 3.16Å
324H98.6Very high97.2Very high22 Ų2219.9 Ų19.910%0.10211%0.108CC..G310 helixtrans-82.73.4-176.5-75.8-171.3000114.8Q320 P321 L322 L650 K651 R656Q320-H324 HydrophobicContact CB-CB 3.78Å; Q320-H324 PolarHBondContact OE1-ND1 3.01Å; Q320-H324 VanDerWaalsContact OE1-ND1 3.08Å; P321-H324 VanDerWaalsContact O-CB 3.26Å; P321-H324 WeakPolarHBondContact O-CB 3.4Å; P321-H324 PolarHBondContact O-N 3.45Å; L322-H324 PolarHBondContact O-N 3.42Å; H324-L650 HydrophobicContact CB-CD1 4.37Å; H324-K651 VanDerWaalsContact O-CB 3.25Å; H324-K651 WeakPolarHBondContact O-CB 3.42Å; H324-K651 WeakPolarHBondContact O-CG 3.46Å; H324-K651 PolarHBondContact O-N 3.42Å; H324-R656 VanDerWaalsContact CB-CD 3.47Å; H324-R656 HydrophobicContact CB-CG 3.93Å
325Y98.8Very high97.4Very high0 Ų017.4 Ų17.40%010%0.096CC..EExtended strand (participates in β ladder)trans-119.2152-177.7-58.2-94000112.4D317 M318 S319 Q320 P321 S323 P455 Q620 Y648 R649 L650D317-Y325 WeakPolarHBondContact O-CE1 3.36Å; D317-Y325 PolarHBondContact O-OH 3.29Å; M318-Y325 WeakPolarHBondContact CA-OH 3.45Å; M318-Y325 HydrophobicContact CE-CE1 4.35Å; M318-Y325 HydrophobicContact SD-CE1 3.96Å; S319-Y325 PolarHBondContact N-OH 3Å; Q320-Y325 HydrophobicContact CB-CE2 3.84Å; Q320-Y325 VanDerWaalsContact CB-OH 3.3Å; Q320-Y325 WeakPolarHBondContact CB-OH 3.19Å; Q320-Y325 PolarHBondContact N-OH 2.8Å; Q320-Y325 VanDerWaalsContact N-OH 3.12Å; Q320-Y325 WeakPolarHBondContact O-CE2 3.3Å; P321-Y325 WeakPolarHBondContact O-CD2 3.35Å; P321-Y325 WeakPolarHBondContact O-CE2 3.37Å; S323-Y325 VanDerWaalsContact C-N 3.32Å; S323-Y325 PolarHBondContact O-N 3.1Å; Y325-P455 HydrophobicContact CD2-CG 3.67Å; Y325-P455 HydrophobicContact CE1-CG 4.44Å; Y325-P455 VanDerWaalsContact CE2-CD 3.44Å; Y325-P455 HydrophobicContact CE2-CG 3.47Å; Y325-P455 VanDerWaalsContact CE2-CG 3.47Å; Y325-P455 HydrophobicContact CG-CG 4.27Å; Y325-Q620 VanDerWaalsContact O-CB 3.3Å; Y325-Q620 WeakPolarHBondContact O-CB 3.38Å; Y325-Q620 WeakPolarHBondContact O-CG 3.02Å; Y325-Y648 HydrophobicContact CG-CD1 4.19Å; Y325-R649 CarbonylContact C-O 3.54Å; Y325-R649 WeakPolarHBondContact CA-O 3.47Å; Y325-L650 HydrophobicContact CD1-CB 4.15Å; Y325-L650 HydrophobicContact CD1-CD1 4.14Å; Y325-L650 HydrophobicContact CE1-CB 4Å; Y325-L650 HydrophobicContact CE1-CD1 3.68Å; Y325-L650 HydrophobicContact CE1-CG 4.41Å; Y325-L650 HydrophobicContact CE2-CD1 4.5Å
326F98.8Very high97.6Very high3 Ų316.3 Ų16.31%0.0139%0.091CC..EExtended strand (participates in β ladder)trans-81.8136.7154.8-54-65.2000108.7W615 C619 M639 Y640 Y648 R649 K651 L742F326-W615 HydrophobicContact CD1-CB 4.18Å; F326-W615 AromaticContact CD1-CD1 3.47Å; F326-W615 VanDerWaalsContact CD1-CD1 3.47Å; F326-W615 HydrophobicContact CD1-CG 4.02Å; F326-W615 HydrophobicContact CE1-CB 3.75Å; F326-W615 AromaticContact CE1-CD1 3.91Å; F326-W615 HydrophobicContact CE1-CG 4.1Å; F326-W615 VanDerWaalsContact CE1-O 3.31Å; F326-W615 WeakPolarHBondContact CE1-O 3.41Å; F326-W615 HydrophobicContact CG-CG 4.49Å; F326-W615 HydrophobicContact CZ-CB 4.03Å; F326-W615 WeakPolarHBondContact CZ-O 3.48Å; F326-C619 WeakPolarHBondContact CD1-O 3.47Å; F326-M639 HydrophobicContact CB-CE 3.96Å; F326-M639 HydrophobicContact CD2-CE 3.5Å; F326-M639 VanDerWaalsContact CD2-CE 3.5Å; F326-M639 HydrophobicContact CE2-CE 4.2Å; F326-M639 HydrophobicContact CG-CE 3.91Å; F326-Y640 VanDerWaalsContact C-OH 3.25Å; F326-Y640 VanDerWaalsContact CB-OH 3.32Å; F326-Y640 WeakPolarHBondContact CB-OH 3.16Å; F326-Y648 WeakPolarHBondContact O-CA 3.41Å; F326-R649 HydrophobicContact CB-CB 4.38Å; F326-R649 PolarHBondContact N-O 2.94Å; F326-R649 PolarHBondContact O-N 3.35Å; F326-K651 HydrophobicContact CD1-CG 4.32Å; F326-K651 HydrophobicContact CD2-CG 4.15Å; F326-K651 HydrophobicContact CE1-CG 4.03Å; F326-K651 HydrophobicContact CE2-CB 4.4Å; F326-K651 HydrophobicContact CE2-CG 3.86Å; F326-K651 HydrophobicContact CG-CG 4.39Å; F326-K651 HydrophobicContact CZ-CG 3.81Å; F326-L742 HydrophobicContact CE2-CD1 3.61Å; F326-L742 HydrophobicContact CZ-CD1 3.72Å
327I98.8Very high97.5Very high0 Ų016.5 Ų16.50%010%0.099CC..EExtended strand (participates in β ladder)trans-121121.3-171.1-52179.4000108.9L322 S329 R358 L408 L594 Q620 M621 Y640 Y648L322-I327 HydrophobicContact CD1-CD1 4.03Å; L322-I327 HydrophobicContact CG-CD1 4.29Å; I327-S329 PolarHBondContact O-N 3.04Å; I327-S329 VanDerWaalsContact O-N 3.17Å; I327-S329 PolarHBondContact O-OG 3.34Å; I327-R358 HydrophobicContact CG2-CB 3.88Å; I327-L408 HydrophobicContact CD1-CD1 4.03Å; I327-L594 HydrophobicContact CD1-CD2 4.5Å; I327-Q620 HydrophobicContact CD1-CB 4.13Å; I327-Q620 HydrophobicContact CG1-CB 4.17Å; I327-Q620 PolarHBondContact N-O 2.97Å; I327-M621 HydrophobicContact CB-CG 4.45Å; I327-M621 HydrophobicContact CD1-CG 4.23Å; I327-Y640 VanDerWaalsContact C-OH 3.27Å; I327-Y640 PolarHBondContact N-OH 3.46Å; I327-Y648 HydrophobicContact CB-CE1 4.3Å; I327-Y648 HydrophobicContact CD1-CE1 3.81Å; I327-Y648 HydrophobicContact CG1-CD1 3.94Å; I327-Y648 HydrophobicContact CG1-CE1 3.62Å; I327-Y648 HydrophobicContact CG2-CE1 3.92Å
328N98.8Very high97.1Very high3 Ų314.6 Ų14.62%0.01610%0.095CC..  trans-62.7118.4179.9-167.58.5000110.1G356 C357 R358 C359 N636 Y640 G647N328-G356 WeakPolarHBondContact CB-O 3.48Å; N328-G356 VanDerWaalsContact ND2-C 3.29Å; N328-G356 PolarHBondContact ND2-O 2.83Å; N328-C357 PolarHBondContact ND2-N 2.91Å; N328-C357 PolarHBondContact O-SG 3.24Å; N328-C357 VanDerWaalsContact O-SG 3.33Å; N328-R358 PolarHBondContact O-N 2.92Å; N328-C359 PolarHBondContact O-N 3.36Å; N328-N636 PolarHBondContact OD1-ND2 2.78Å; N328-Y640 HydrophobicContact CB-CD1 3.75Å; N328-Y640 HydrophobicContact CB-CD2 3.68Å; N328-Y640 HydrophobicContact CB-CE1 3.85Å; N328-Y640 HydrophobicContact CB-CE2 3.8Å; N328-Y640 HydrophobicContact CB-CG 3.67Å; N328-Y640 PolarHBondContact N-OH 3.39Å; N328-G647 PolarHBondContact N-O 3.28Å
329S98.8Very high96.7Very high0 Ų014.4 Ų14.40%09%0.094CC..EExtended strand (participates in β ladder)trans-134.8132.5-161.7-63.60000113I327 C359 M621 A623 L624 F626I327-S329 PolarHBondContact O-N 3.04Å; I327-S329 VanDerWaalsContact O-N 3.17Å; I327-S329 PolarHBondContact O-OG 3.34Å; S329-C359 WeakPolarHBondContact OG-CB 3.2Å; S329-M621 VanDerWaalsContact OG-CA 3.31Å; S329-M621 WeakPolarHBondContact OG-CA 3.17Å; S329-A623 WeakPolarHBondContact O-CA 3.22Å; S329-L624 PolarHBondContact O-N 2.86Å; S329-L624 VanDerWaalsContact O-N 3.08Å; S329-F626 WeakPolarHBondContact O-CE2 3.47Å
330S98.6Very high96.3Very high1 Ų115.8 Ų15.81%0.00710%0.096CC..EExtended strand (participates in β ladder)trans-103.7147175.2175.50000111.6T333 C359 R596 L624S330-T333 VanDerWaalsContact CB-OG1 3.26Å; S330-T333 WeakPolarHBondContact CB-OG1 3.5Å; S330-T333 WeakPolarHBondContact OG-CB 3.31Å; S330-T333 PolarHBondContact OG-OG1 3.18Å; S330-C359 PolarHBondContact N-O 3.47Å; S330-R596 PolarHBondContact O-NH2 3.49Å; S330-L624 WeakPolarHBondContact CA-O 3.36Å
331H98.4Very high95.8Very high16 Ų1617 Ų177%0.07411%0.114CC..SBendtrans-109143.8167.3169.6-104.5000109.3T333 E361 P599 A623 L624 N625H331-T333 VanDerWaalsContact C-N 3.26Å; H331-T333 PolarHBondContact O-N 3.08Å; H331-T333 VanDerWaalsContact O-N 3.15Å; H331-E361 WeakPolarHBondContact CA-OE2 3.3Å; H331-E361 IonicContact CD2-OE2 2.87Å; H331-E361 PolarHBondContact CD2-OE2 2.83Å; H331-E361 IonicContact CG-OE2 3.67Å; H331-P599 HydrophobicContact CB-CG 4.27Å; H331-A623 HydrophobicContact CB-CB 4.01Å; H331-L624 PolarHBondContact N-O 3.46Å; H331-N625 PolarHBondContact ND1-OD1 2.72Å
332N97.7Very high95.3Very high5 Ų516 Ų163%0.02711%0.108CC..SBendtrans39.352.4-178.9-66.92.1000113.2Y334 L335 Q339 E361N332-Y334 HydrophobicContact CB-CE1 3.96Å; N332-Y334 PolarHBondContact O-N 3.49Å; N332-L335 HydrophobicContact CB-CD1 3.9Å; N332-L335 HydrophobicContact CB-CG 4.26Å; N332-L335 PolarHBondContact O-N 3.12Å; N332-Q339 PolarHBondContact ND2-OE1 3.45Å; N332-E361 PolarHBondContact N-OE2 3.5Å
333T98.3Very high95.1Very high2 Ų220.7 Ų20.71%0.01213%0.133CC..THydrogen-bonded Turntrans-56.4-23.9-165.7-54.90000114.4S330 H331 M348 Y349 V352 V360 E361S330-T333 VanDerWaalsContact CB-OG1 3.26Å; S330-T333 WeakPolarHBondContact CB-OG1 3.5Å; S330-T333 WeakPolarHBondContact OG-CB 3.31Å; S330-T333 PolarHBondContact OG-OG1 3.18Å; H331-T333 VanDerWaalsContact C-N 3.26Å; H331-T333 PolarHBondContact O-N 3.08Å; H331-T333 VanDerWaalsContact O-N 3.15Å; T333-M348 WeakPolarHBondContact O-CB 3.22Å; T333-M348 WeakPolarHBondContact O-CG 3.46Å; T333-Y349 HydrophobicContact CG2-CD1 3.6Å; T333-Y349 HydrophobicContact CG2-CE1 3.83Å; T333-Y349 HydrophobicContact CG2-CG 4.14Å; T333-V352 HydrophobicContact CG2-CB 4.06Å; T333-V352 HydrophobicContact CG2-CG1 3.96Å; T333-V352 HydrophobicContact CG2-CG2 4.15Å; T333-V360 HydrophobicContact CG2-CB 4.03Å; T333-V360 HydrophobicContact CG2-CG1 3.92Å; T333-E361 PolarHBondContact OG1-N 3.13Å
334Y97.4Very high95Very high0 Ų021 Ų210%014%0.135CC..THydrogen-bonded Turntrans-69.8-25.6176.553.5-84.1000113.8N332 S344 S345 D363 I376 H378N332-Y334 HydrophobicContact CB-CE1 3.96Å; N332-Y334 PolarHBondContact O-N 3.49Å; Y334-S344 WeakPolarHBondContact CD2-OG 3.22Å; Y334-S344 CarbonylContact O-C 3.54Å; Y334-S344 VanDerWaalsContact O-CA 3.27Å; Y334-S344 WeakPolarHBondContact O-CA 3.42Å; Y334-S345 PolarHBondContact O-N 3.43Å; Y334-D363 HydrophobicContact CE1-CB 3.82Å; Y334-D363 VanDerWaalsContact CE1-CG 3.41Å; Y334-D363 WeakPolarHBondContact CE1-OD1 3.44Å; Y334-D363 VanDerWaalsContact OH-CG 3.23Å; Y334-D363 PolarHBondContact OH-OD2 3.22Å; Y334-I376 HydrophobicContact CD1-CG2 3.56Å; Y334-I376 HydrophobicContact CD2-CG2 4.17Å; Y334-I376 HydrophobicContact CE1-CG2 4.15Å; Y334-I376 HydrophobicContact CG-CG2 3.61Å; Y334-H378 HydrophobicContact CE2-CB 4.08Å; Y334-H378 WeakPolarHBondContact OH-CA 3.43Å; Y334-H378 VanDerWaalsContact OH-CB 3.31Å; Y334-H378 WeakPolarHBondContact OH-CB 3.37Å
335L96.8Very high94.9Very high0 Ų021.7 Ų21.70%014%0.143CC..BIsolated β-bridgetrans-78.9132.5-172.6-67.7-179.6000113.7N332 Q339 T383N332-L335 HydrophobicContact CB-CD1 3.9Å; N332-L335 HydrophobicContact CB-CG 4.26Å; N332-L335 PolarHBondContact O-N 3.12Å; L335-Q339 VanDerWaalsContact CD1-OE1 3.29Å; L335-T383 HydrophobicContact CD2-CG2 3.71Å
336T94Very high94.9Very high27 Ų2722.8 Ų22.817%0.16615%0.149CC..SBendtrans-98.9-2.6175.770.50000114.2V112 N343 M348V112-T336 HydrophobicContact CG1-CG2 4.48Å; V112-T336 HydrophobicContact CG2-CG2 4.49Å; T336-N343 PolarHBondContact N-O 2.95Å; T336-N343 PolarHBondContact OG1-O 3.29Å; T336-N343 VanDerWaalsContact OG1-O 3.08Å; T336-M348 HydrophobicContact CG2-CB 4.45Å; T336-M348 HydrophobicContact CG2-SD 4.46Å
337A91.8Very high94.8Very high44 Ų4424 Ų2436%0.36416%0.155SC..SBendtrans-153.5-149-175.500000111.9S606 Q627A337-S606 PolarHBondContact O-OG 3.37Å; A337-Q627 PolarHBondContact O-NE2 2.9Å
338G87.1Confident94.7Very high25 Ų2524.1 Ų24.126%0.25816%0.155SC..  trans-65153.7177.500000113.9L340 G342 S606G338-L340 PolarHBondContact O-N 3.26Å; G338-G342 WeakPolarHBondContact O-CA 3.41Å; G338-G342 PolarHBondContact O-N 2.85Å; G338-S606 WeakPolarHBondContact CA-OG 3.45Å
339Q89.3Confident94.6Very high11 Ų1124 Ų245%0.05116%0.155CC..THydrogen-bonded Turntrans-69.1-25.4-167.8-57.8-69.8-44.900114.7N332 L335 H378 T383 R603 V604 S606 N625N332-Q339 PolarHBondContact ND2-OE1 3.45Å; L335-Q339 VanDerWaalsContact CD1-OE1 3.29Å; Q339-H378 PolarHBondContact O-ND1 2.74Å; Q339-T383 WeakPolarHBondContact O-CG2 3.5Å; Q339-R603 WeakPolarHBondContact CG-O 3.36Å; Q339-V604 PolarHBondContact N-O 2.62Å; Q339-S606 PolarHBondContact NE2-OG 3.28Å; Q339-N625 PolarHBondContact NE2-OD1 3.03Å
340L87.6Confident94.6Very high94 Ų9425.8 Ų25.849%0.49216%0.162SC..THydrogen-bonded Turntrans-94.2-22.4-170.4-62.9-179.8000115.2G338 T381 M382 V604G338-L340 PolarHBondContact O-N 3.26Å; L340-T381 HydrophobicContact CD2-CG2 4.12Å; L340-M382 WeakPolarHBondContact O-CB 3.36Å; L340-M382 PolarHBondContact O-N 3.3Å; L340-V604 HydrophobicContact CD1-CB 3.92Å; L340-V604 HydrophobicContact CD1-CG1 3.8Å; L340-V604 HydrophobicContact CD2-CG1 4.32Å; L340-V604 HydrophobicContact CG-CB 4.03Å; L340-V604 HydrophobicContact CG-CG1 3.98Å
341A87.7Confident94.5Very high74 Ų7425.8 Ų25.861%0.61216%0.162SC*.THydrogen-bonded Turntrans-155.922.3-172.700000112.4M382A341-M382 HydrophobicContact CB-CB 4.23Å
342G87.6Confident94.5Very high5 Ų525 Ų255%0.05216%0.158CC..PPolyproline II helixtrans-76.7156.4173.400000112.2G338 T383G338-G342 WeakPolarHBondContact O-CA 3.41Å; G338-G342 PolarHBondContact O-N 2.85Å; G342-T383 VanDerWaalsContact O-CA 3.3Å; G342-T383 WeakPolarHBondContact O-CA 3.4Å; G342-T383 WeakPolarHBondContact O-CB 3.48Å; G342-T383 WeakPolarHBondContact O-CG2 3.46Å
343N94.3Very high94.5Very high100 Ų10024.8 Ų24.854%0.53516%0.157SC..PPolyproline II helixtrans-75.8139170.9-64.5-24.9000110T336T336-N343 PolarHBondContact N-O 2.95Å; T336-N343 PolarHBondContact OG1-O 3.29Å; T336-N343 VanDerWaalsContact OG1-O 3.08Å
344S96.4Very high94.3Very high9 Ų925.4 Ų25.46%0.06316%0.16CC..BIsolated β-bridgetrans-88.2142.5165.4-52.50000109.5Y334 T384 I386Y334-S344 WeakPolarHBondContact CD2-OG 3.22Å; Y334-S344 CarbonylContact O-C 3.54Å; Y334-S344 VanDerWaalsContact O-CA 3.27Å; Y334-S344 WeakPolarHBondContact O-CA 3.42Å; S344-T384 WeakPolarHBondContact CB-O 3.28Å; S344-T384 PolarHBondContact N-OG1 2.87Å; S344-T384 PolarHBondContact O-OG1 2.73Å; S344-T384 PolarHBondContact OG-O 2.83Å; S344-I386 WeakPolarHBondContact O-CG2 3.48Å
345S96.9Very high94.2Very high37 Ų3726.9 Ų26.926%0.25917%0.17SC..  trans-143.5130-178-178.20000113.5Y334 E347 M348Y334-S345 PolarHBondContact O-N 3.43Å; S345-E347 PolarHBondContact O-N 2.95Å; S345-E347 PolarHBondContact OG-N 3.27Å; S345-M348 WeakPolarHBondContact O-CB 3.48Å; S345-M348 PolarHBondContact O-N 3.03Å
346V97.3Very high94.1Very high22 Ų2226.9 Ų26.913%0.13317%0.17CC..Hα-helixtrans-60.5-34.5170.7178.80000111.5M348 Y349 I386 E390 V391 A394V346-M348 VanDerWaalsContact C-N 3.26Å; V346-M348 PolarHBondContact O-N 3.45Å; V346-Y349 PolarHBondContact O-N 3.03Å; V346-I386 HydrophobicContact CG2-CB 4.22Å; V346-I386 HydrophobicContact CG2-CD1 4.11Å; V346-E390 HydrophobicContact CG1-CB 4.13Å; V346-E390 WeakPolarHBondContact CG1-O 3.43Å; V346-E390 HydrophobicContact CG2-CB 3.9Å; V346-V391 HydrophobicContact CB-CG2 4.49Å; V346-V391 HydrophobicContact CG1-CG2 4.47Å; V346-V391 HydrophobicContact CG2-CG2 4.02Å; V346-A394 HydrophobicContact CG1-CB 3.56Å
347E96.3Very high94.3Very high28 Ų2825.6 Ų25.613%0.13116%0.163CC..Hα-helixtrans-67.9-26.4-179.5-175.955.3-145.100112.3R73 I114 S345 Y349 R350 Q351R73-E347 IonicContact CZ-OE1 2.63Å; R73-E347 IonicContact CZ-OE2 2.96Å; R73-E347 IonicContact NH1-OE1 3.19Å; R73-E347 IonicContact NH1-OE2 2.68Å; R73-E347 PolarHBondContact NH1-OE2 3.4Å; R73-E347 IonicContact NH2-OE1 2.87Å; R73-E347 PolarHBondContact NH2-OE1 2.86Å; R73-E347 IonicContact NH2-OE2 3.48Å; R73-E347 PolarHBondContact NH2-OE2 3.48Å; I114-E347 HydrophobicContact CD1-CG 3.58Å; S345-E347 PolarHBondContact O-N 2.95Å; S345-E347 PolarHBondContact OG-N 3.27Å; E347-Y349 VanDerWaalsContact C-N 3.29Å; E347-Y349 PolarHBondContact O-N 3.35Å; E347-R350 WeakPolarHBondContact O-CB 3.16Å; E347-R350 PolarHBondContact O-N 2.72Å; E347-R350 VanDerWaalsContact O-N 3.08Å; E347-R350 WeakPolarHBondContact OE2-CD 3.46Å; E347-R350 IonicContact OE2-NH1 2.64Å; E347-Q351 HydrophobicContact CG-CG 4.29Å; E347-Q351 WeakPolarHBondContact O-CG 3.29Å; E347-Q351 PolarHBondContact O-N 2.71Å; E347-Q351 PolarHBondContact OE1-NE2 2.77Å
348M96.9Very high94.7Very high3 Ų323.5 Ų23.52%0.01515%0.145CC..Hα-helixtrans-61.7-37.7178.6-163.163.7166.900111.5V112 T333 T336 S345 V346 R350 Q351 V352 F626 Q627V112-M348 HydrophobicContact CG2-CE 3.91Å; V112-M348 HydrophobicContact CG2-SD 3.99Å; T333-M348 WeakPolarHBondContact O-CB 3.22Å; T333-M348 WeakPolarHBondContact O-CG 3.46Å; T336-M348 HydrophobicContact CG2-CB 4.45Å; T336-M348 HydrophobicContact CG2-SD 4.46Å; S345-M348 WeakPolarHBondContact O-CB 3.48Å; S345-M348 PolarHBondContact O-N 3.03Å; V346-M348 VanDerWaalsContact C-N 3.26Å; V346-M348 PolarHBondContact O-N 3.45Å; M348-R350 PolarHBondContact O-N 3.35Å; M348-Q351 PolarHBondContact O-N 2.93Å; M348-V352 HydrophobicContact CG-CG2 4.28Å; M348-V352 VanDerWaalsContact O-CB 3.3Å; M348-V352 WeakPolarHBondContact O-CB 3.39Å; M348-V352 VanDerWaalsContact O-CG2 3.23Å; M348-V352 WeakPolarHBondContact O-CG2 3.24Å; M348-V352 PolarHBondContact O-N 2.9Å; M348-F626 HydrophobicContact CE-CB 4.31Å; M348-Q627 HydrophobicContact CE-CB 3.84Å
349Y98.4Very high95.2Very high0 Ų022.3 Ų22.30%013%0.133CC..Hα-helixtrans-60.8-41.7173.2-69.3-89.5000112.5T333 V346 E347 L353 V360 E361 L362 I386 V391 I395T333-Y349 HydrophobicContact CG2-CD1 3.6Å; T333-Y349 HydrophobicContact CG2-CE1 3.83Å; T333-Y349 HydrophobicContact CG2-CG 4.14Å; V346-Y349 PolarHBondContact O-N 3.03Å; E347-Y349 VanDerWaalsContact C-N 3.29Å; E347-Y349 PolarHBondContact O-N 3.35Å; Y349-L353 WeakPolarHBondContact O-CB 3.43Å; Y349-L353 VanDerWaalsContact O-CG 3.27Å; Y349-L353 WeakPolarHBondContact O-CG 3.31Å; Y349-L353 PolarHBondContact O-N 2.98Å; Y349-V360 HydrophobicContact CD1-CB 4.34Å; Y349-V360 HydrophobicContact CD1-CG2 4.45Å; Y349-V360 HydrophobicContact CE1-CB 4.49Å; Y349-E361 WeakPolarHBondContact CE1-O 3.33Å; Y349-E361 PolarHBondContact OH-O 3.21Å; Y349-L362 HydrophobicContact CE1-CD1 4.47Å; Y349-L362 HydrophobicContact CE1-CG 4.07Å; Y349-I386 HydrophobicContact CE2-CD1 4.28Å; Y349-V391 HydrophobicContact CD1-CG1 4.02Å; Y349-V391 HydrophobicContact CD2-CB 4.38Å; Y349-V391 HydrophobicContact CD2-CG1 3.75Å; Y349-V391 HydrophobicContact CD2-CG2 3.86Å; Y349-V391 HydrophobicContact CE1-CG1 3.78Å; Y349-V391 HydrophobicContact CE2-CB 4.16Å; Y349-V391 HydrophobicContact CE2-CG1 3.49Å; Y349-V391 VanDerWaalsContact CE2-CG1 3.49Å; Y349-V391 HydrophobicContact CE2-CG2 3.51Å; Y349-V391 HydrophobicContact CG-CG1 3.99Å; Y349-V391 VanDerWaalsContact CZ-CG1 3.48Å; Y349-I395 HydrophobicContact CD1-CD1 3.95Å; Y349-I395 HydrophobicContact CD1-CG1 4.1Å; Y349-I395 HydrophobicContact CE1-CD1 4.3Å; Y349-I395 HydrophobicContact CG-CG1 4.41Å
350R97.9Very high95.7Very high39 Ų3921.8 Ų21.815%0.14713%0.131CC..Hα-helixtrans-60.9-52.5175.6-66.1-165.317578.34.2110.3E347 M348 V352 L353 L354 A394 E397 C398E347-R350 WeakPolarHBondContact O-CB 3.16Å; E347-R350 PolarHBondContact O-N 2.72Å; E347-R350 VanDerWaalsContact O-N 3.08Å; E347-R350 WeakPolarHBondContact OE2-CD 3.46Å; E347-R350 IonicContact OE2-NH1 2.64Å; M348-R350 PolarHBondContact O-N 3.35Å; R350-V352 PolarHBondContact O-N 3.41Å; R350-L353 PolarHBondContact O-N 3.21Å; R350-L354 HydrophobicContact CB-CD1 4.49Å; R350-L354 VanDerWaalsContact O-CB 3.28Å; R350-L354 WeakPolarHBondContact O-CB 3.36Å; R350-L354 WeakPolarHBondContact O-CD1 3.43Å; R350-L354 WeakPolarHBondContact O-CG 3.48Å; R350-L354 PolarHBondContact O-N 3.31Å; R350-A394 HydrophobicContact CG-CB 3.96Å; R350-E397 IonicContact CZ-OE2 3.56Å; R350-E397 VanDerWaalsContact CZ-OE2 3.26Å; R350-E397 IonicContact NE-OE1 3.26Å; R350-E397 IonicContact NE-OE2 2.79Å; R350-E397 PolarHBondContact NE-OE2 2.91Å; R350-E397 IonicContact NH2-OE2 2.73Å; R350-E397 PolarHBondContact NH2-OE2 3.07Å; R350-C398 HydrophobicContact CB-CB 4.29Å; R350-C398 HydrophobicContact CG-CB 4.29Å; R350-C398 VanDerWaalsContact CG-SG 3.59Å
351Q96.5Very high96.2Very high1 Ų117.5 Ų17.51%0.00511%0.108CC..Hα-helixtrans-62.9-39.5-177.6-63-60.4-4100112.5K70 L111 E347 M348 S355K70-Q351 VanDerWaalsContact CB-OE1 3.25Å; L111-Q351 HydrophobicContact CB-CB 4.26Å; L111-Q351 HydrophobicContact CD2-CB 4.14Å; E347-Q351 HydrophobicContact CG-CG 4.29Å; E347-Q351 WeakPolarHBondContact O-CG 3.29Å; E347-Q351 PolarHBondContact O-N 2.71Å; E347-Q351 PolarHBondContact OE1-NE2 2.77Å; M348-Q351 PolarHBondContact O-N 2.93Å; Q351-S355 PolarHBondContact O-N 2.94Å
352V97.6Very high96.7Very high0 Ų014 Ų140%08%0.079CC..Hα-helixtrans-67.2-47.4176.2169.50000111.3T333 M348 R350 L354 S355 C357 V360 F626T333-V352 HydrophobicContact CG2-CB 4.06Å; T333-V352 HydrophobicContact CG2-CG1 3.96Å; T333-V352 HydrophobicContact CG2-CG2 4.15Å; M348-V352 HydrophobicContact CG-CG2 4.28Å; M348-V352 VanDerWaalsContact O-CB 3.3Å; M348-V352 WeakPolarHBondContact O-CB 3.39Å; M348-V352 VanDerWaalsContact O-CG2 3.23Å; M348-V352 WeakPolarHBondContact O-CG2 3.24Å; M348-V352 PolarHBondContact O-N 2.9Å; R350-V352 PolarHBondContact O-N 3.41Å; V352-L354 PolarHBondContact O-N 2.99Å; V352-S355 PolarHBondContact O-N 2.91Å; V352-S355 PolarHBondContact O-OG 2.9Å; V352-C357 HydrophobicContact CG1-CB 3.43Å; V352-C357 VanDerWaalsContact CG1-CB 3.43Å; V352-C357 WeakPolarHBondContact O-CB 3.41Å; V352-C357 PolarHBondContact O-N 3.38Å; V352-V360 HydrophobicContact CG1-CG1 4.04Å; V352-F626 HydrophobicContact CB-CD1 4.4Å; V352-F626 HydrophobicContact CG1-CD1 4.08Å; V352-F626 HydrophobicContact CG1-CE1 4.19Å; V352-F626 HydrophobicContact CG1-CG 4.33Å; V352-F626 HydrophobicContact CG2-CB 3.78Å; V352-F626 HydrophobicContact CG2-CD1 3.85Å; V352-F626 HydrophobicContact CG2-CG 3.94Å
353L97.9Very high97.1Very high0 Ų013.7 Ų13.70%08%0.076CC..Hα-helixtrans-62.1-44.3176.3-72170.5000112.1Y349 R350 S355 G356 V360 I395 C398 T402 I407Y349-L353 WeakPolarHBondContact O-CB 3.43Å; Y349-L353 VanDerWaalsContact O-CG 3.27Å; Y349-L353 WeakPolarHBondContact O-CG 3.31Å; Y349-L353 PolarHBondContact O-N 2.98Å; R350-L353 PolarHBondContact O-N 3.21Å; L353-S355 VanDerWaalsContact C-N 3.26Å; L353-S355 PolarHBondContact O-N 3.43Å; L353-G356 PolarHBondContact O-N 3.29Å; L353-V360 HydrophobicContact CD2-CG1 4.01Å; L353-V360 HydrophobicContact CG-CG1 4.37Å; L353-I395 HydrophobicContact CD1-CB 4.22Å; L353-I395 HydrophobicContact CD1-CG1 4.11Å; L353-I395 HydrophobicContact CD1-CG2 4.12Å; L353-C398 HydrophobicContact CB-CB 4.29Å; L353-C398 HydrophobicContact CD1-CB 4.39Å; L353-T402 PolarHBondContact O-OG1 2.75Å; L353-I407 HydrophobicContact CD2-CD1 3.84Å; L353-I407 HydrophobicContact CD2-CG1 4.24Å; L353-I407 HydrophobicContact CD2-CG2 4.48Å
354L95.6Very high97.2Very high15 Ų159 Ų98%0.0795%0.051CC..Hα-helixtrans-60.2-34176.9-73.9165.9000112.6D71 F135 R350 V352 G356 C398 K401 T402D71-L354 HydrophobicContact CB-CD1 3.66Å; F135-L354 HydrophobicContact CE2-CD2 3.76Å; F135-L354 HydrophobicContact CZ-CD2 3.84Å; R350-L354 HydrophobicContact CB-CD1 4.49Å; R350-L354 VanDerWaalsContact O-CB 3.28Å; R350-L354 WeakPolarHBondContact O-CB 3.36Å; R350-L354 WeakPolarHBondContact O-CD1 3.43Å; R350-L354 WeakPolarHBondContact O-CG 3.48Å; R350-L354 PolarHBondContact O-N 3.31Å; V352-L354 PolarHBondContact O-N 2.99Å; L354-G356 PolarHBondContact O-N 2.99Å; L354-C398 HydrophobicContact CG-CB 4.36Å; L354-K401 HydrophobicContact CD2-CB 3.89Å; L354-K401 HydrophobicContact CD2-CD 3.77Å; L354-K401 HydrophobicContact CD2-CG 4.48Å; L354-T402 HydrophobicContact CD2-CG2 4.11Å; L354-T402 VanDerWaalsContact O-CG2 3.28Å; L354-T402 WeakPolarHBondContact O-CG2 3.28Å; L354-T402 PolarHBondContact O-OG1 2.81Å; L354-T402 VanDerWaalsContact O-OG1 3.1Å
355S93.9Very high97.1Very high30 Ų3010.3 Ų10.321%0.216%0.055CC..THydrogen-bonded Turntrans-65.7-4.8174.678.90000114.8Q351 V352 L353 F626Q351-S355 PolarHBondContact O-N 2.94Å; V352-S355 PolarHBondContact O-N 2.91Å; V352-S355 PolarHBondContact O-OG 2.9Å; L353-S355 VanDerWaalsContact C-N 3.26Å; L353-S355 PolarHBondContact O-N 3.43Å; S355-F626 WeakPolarHBondContact OG-CE1 3.32Å
356G95.6Very high96.8Very high1 Ų113.3 Ų13.31%0.016%0.063CC..THydrogen-bonded Turntrans91.318.3-175.300000113.2N328 L353 L354 G647N328-G356 WeakPolarHBondContact CB-O 3.48Å; N328-G356 VanDerWaalsContact ND2-C 3.29Å; N328-G356 PolarHBondContact ND2-O 2.83Å; L353-G356 PolarHBondContact O-N 3.29Å; L354-G356 PolarHBondContact O-N 2.99Å; G356-G647 WeakPolarHBondContact O-CA 3.04Å
357C98.3Very high96.3Very high0 Ų012.8 Ų12.80%06%0.062CC..  trans-73.9141.5171.8-166.40000110.3N328 V352 C359 F626N328-C357 PolarHBondContact ND2-N 2.91Å; N328-C357 PolarHBondContact O-SG 3.24Å; N328-C357 VanDerWaalsContact O-SG 3.33Å; V352-C357 HydrophobicContact CG1-CB 3.43Å; V352-C357 VanDerWaalsContact CG1-CB 3.43Å; V352-C357 WeakPolarHBondContact O-CB 3.41Å; V352-C357 PolarHBondContact O-N 3.38Å; C357-C359 PolarHBondContact SG-O 3.16Å; C357-F626 HydrophobicContact CB-CE1 4.1Å; C357-F626 HydrophobicContact CB-CZ 4Å
358R98.6Very high95.4Very high0 Ų021.1 Ų21.10%09%0.092CC..  trans-124.4-14.3-174.3-64.2-69.187.5177.24.8113.7I327 N328 A399 S403 F405 I407 L408 S646 Y648I327-R358 HydrophobicContact CG2-CB 3.88Å; N328-R358 PolarHBondContact O-N 2.92Å; R358-A399 VanDerWaalsContact CZ-O 3.31Å; R358-A399 PolarHBondContact NH1-O 3.31Å; R358-A399 PolarHBondContact NH2-O 2.64Å; R358-S403 PolarHBondContact NH1-O 2.71Å; R358-F405 PolarHBondContact NH1-O 2.56Å; R358-I407 CarbonylContact O-C 3.5Å; R358-I407 VanDerWaalsContact O-CA 3.3Å; R358-I407 WeakPolarHBondContact O-CA 3.42Å; R358-L408 PolarHBondContact O-N 3.32Å; R358-S646 WeakPolarHBondContact CD-O 3.41Å; R358-Y648 HydrophobicContact CB-CE2 3.88Å; R358-Y648 HydrophobicContact CG-CD2 3.95Å; R358-Y648 HydrophobicContact CG-CE2 3.51Å
359C98.7Very high94.4Very high0 Ų024.8 Ų24.80%012%0.115CC..EExtended strand (participates in β ladder)trans-117.6125.2166.2172.90000110.2N328 S329 S330 C357 L408 M621N328-C359 PolarHBondContact O-N 3.36Å; S329-C359 WeakPolarHBondContact OG-CB 3.2Å; S330-C359 PolarHBondContact N-O 3.47Å; C357-C359 PolarHBondContact SG-O 3.16Å; C359-L408 WeakPolarHBondContact CA-O 3.48Å; C359-L408 HydrophobicContact CB-CB 4.2Å; C359-M621 HydrophobicContact CB-CE 4.22Å; C359-M621 WeakPolarHBondContact SG-CE 3.3Å
360V98.7Very high93Very high0 Ų030 Ų300%016%0.158CC..EExtended strand (participates in β ladder)trans-126.5155.3177.3-650000111.3T333 Y349 V352 L353 L362 I395 L408 L409 S410T333-V360 HydrophobicContact CG2-CB 4.03Å; T333-V360 HydrophobicContact CG2-CG1 3.92Å; Y349-V360 HydrophobicContact CD1-CB 4.34Å; Y349-V360 HydrophobicContact CD1-CG2 4.45Å; Y349-V360 HydrophobicContact CE1-CB 4.49Å; V352-V360 HydrophobicContact CG1-CG1 4.04Å; L353-V360 HydrophobicContact CD2-CG1 4.01Å; L353-V360 HydrophobicContact CG-CG1 4.37Å; V360-L362 HydrophobicContact CG2-CD1 4.3Å; V360-I395 HydrophobicContact CG2-CD1 4.36Å; V360-L408 PolarHBondContact N-O 3.26Å; V360-L409 HydrophobicContact CG2-CD2 3.5Å; V360-S410 PolarHBondContact O-N 2.86Å
361E98.6Very high91.8Very high3 Ų335 Ų351%0.01418%0.183CC..EExtended strand (participates in β ladder)trans-116.3134.9-170.6-176.4133.5-97.400112.7H331 N332 T333 Y349 D363 S410 R596H331-E361 WeakPolarHBondContact CA-OE2 3.3Å; H331-E361 IonicContact CD2-OE2 2.87Å; H331-E361 PolarHBondContact CD2-OE2 2.83Å; H331-E361 IonicContact CG-OE2 3.67Å; N332-E361 PolarHBondContact N-OE2 3.5Å; T333-E361 PolarHBondContact OG1-N 3.13Å; Y349-E361 WeakPolarHBondContact CE1-O 3.33Å; Y349-E361 PolarHBondContact OH-O 3.21Å; E361-D363 WeakPolarHBondContact CG-OD1 3.33Å; E361-S410 CarbonylContact C-O 3.57Å; E361-S410 WeakPolarHBondContact CA-O 3.08Å; E361-S410 PolarHBondContact OE1-OG 2.76Å; E361-R596 IonicContact OE1-CZ 2.71Å; E361-R596 IonicContact OE1-NH1 3.81Å; E361-R596 PolarHBondContact OE1-NH1 3.18Å; E361-R596 IonicContact OE1-NH2 2.69Å; E361-R596 PolarHBondContact OE1-NH2 3.47Å; E361-R596 IonicContact OE2-CZ 2.76Å; E361-R596 IonicContact OE2-NH1 3.65Å; E361-R596 PolarHBondContact OE2-NH1 2.93Å; E361-R596 IonicContact OE2-NH2 3.13Å; E361-R596 PolarHBondContact OE2-NH2 2.94Å
362L98.3Very high91.1Very high0 Ų037.9 Ų37.90%020%0.197CC..EExtended strand (participates in β ladder)trans-132.395.3-174.2-6189.3000110.6Y349 V360 C364 I376 F388 V391 I392 I395 L409 S410 E412Y349-L362 HydrophobicContact CE1-CD1 4.47Å; Y349-L362 HydrophobicContact CE1-CG 4.07Å; V360-L362 HydrophobicContact CG2-CD1 4.3Å; L362-C364 PolarHBondContact O-N 2.99Å; L362-C364 PolarHBondContact O-SG 2.93Å; L362-I376 HydrophobicContact CB-CD1 4.05Å; L362-I376 HydrophobicContact CD2-CD1 4.04Å; L362-I376 HydrophobicContact CG-CD1 4.25Å; L362-F388 HydrophobicContact CD2-CE2 4.18Å; L362-V391 HydrophobicContact CD2-CG1 3.86Å; L362-V391 HydrophobicContact CG-CG1 4.48Å; L362-I392 HydrophobicContact CD2-CD1 4Å; L362-I395 HydrophobicContact CD1-CD1 4.45Å; L362-I395 HydrophobicContact CD2-CD1 4.03Å; L362-L409 HydrophobicContact CD1-CB 4.11Å; L362-L409 HydrophobicContact CD1-CD2 4.2Å; L362-S410 PolarHBondContact N-O 3.29Å; L362-E412 PolarHBondContact O-N 2.79Å
363D97.1Very high90.8Very high0 Ų040.3 Ų40.30%021%0.208CC..EExtended strand (participates in β ladder)trans-78.797.7176.5-61.923.9000109.2Y334 E361 I376 T377 E412Y334-D363 HydrophobicContact CE1-CB 3.82Å; Y334-D363 VanDerWaalsContact CE1-CG 3.41Å; Y334-D363 WeakPolarHBondContact CE1-OD1 3.44Å; Y334-D363 VanDerWaalsContact OH-CG 3.23Å; Y334-D363 PolarHBondContact OH-OD2 3.22Å; E361-D363 WeakPolarHBondContact CG-OD1 3.33Å; D363-I376 VanDerWaalsContact O-CA 3.26Å; D363-I376 WeakPolarHBondContact O-CA 3.06Å; D363-T377 WeakPolarHBondContact CB-O 3.42Å; D363-E412 CarbonylContact C-O 3.57Å
364C96.5Very high90.6Very high0 Ų040.3 Ų40.30%021%0.208CC..EExtended strand (participates in β ladder)trans-93.7113.8-168.7-61.30000110.9L362 E412 H414 V415 M424L362-C364 PolarHBondContact O-N 2.99Å; L362-C364 PolarHBondContact O-SG 2.93Å; C364-E412 PolarHBondContact N-O 2.89Å; C364-H414 CarbonylContact O-C 3.53Å; C364-H414 WeakPolarHBondContact O-CA 3.48Å; C364-H414 WeakPolarHBondContact O-CB 2.99Å; C364-H414 PolarHBondContact O-N 2.88Å; C364-V415 HydrophobicContact CB-CG2 4.11Å; C364-V415 WeakPolarHBondContact O-CG2 3.33Å; C364-V415 PolarHBondContact O-N 2.82Å; C364-M424 HydrophobicContact CB-CE 3.48Å; C364-M424 VanDerWaalsContact CB-CE 3.48Å; C364-M424 HydrophobicContact CB-SD 4.28Å; C364-M424 VanDerWaalsContact SG-CE 3.51Å
365W94.2Very high90.6Very high38 Ų3840.6 Ų40.614%0.14421%0.21CC..EExtended strand (participates in β ladder)trans-114.8155.2-179-67.685.3000111.8V375 T377 F380 H414 T529W365-V375 HydrophobicContact CB-CG2 4.09Å; W365-V375 PolarHBondContact N-O 2.98Å; W365-V375 PolarHBondContact O-N 2.92Å; W365-T377 HydrophobicContact CB-CG2 4.41Å; W365-T377 HydrophobicContact CG-CG2 4.09Å; W365-T377 PolarHBondContact NE1-O 3.45Å; W365-F380 HydrophobicContact CH2-CD2 4.14Å; W365-F380 AromaticContact CH2-CE2 3.66Å; W365-F380 HydrophobicContact CH2-CE2 3.66Å; W365-F380 HydrophobicContact CH2-CZ 4.31Å; W365-F380 AromaticContact CZ3-CE2 3.91Å; W365-F380 HydrophobicContact CZ3-CE2 3.91Å; W365-F380 HydrophobicContact CZ3-CZ 4.1Å; W365-H414 HydrophobicContact CD2-CB 3.68Å; W365-H414 AromaticContact CE2-CD2 3.42Å; W365-H414 VanDerWaalsContact CE2-CD2 3.42Å; W365-H414 AromaticContact CE2-CG 3.71Å; W365-H414 HydrophobicContact CE3-CB 3.61Å; W365-H414 HydrophobicContact CG-CB 4.33Å; W365-H414 HydrophobicContact CH2-CB 3.83Å; W365-H414 AromaticContact CH2-CD2 3.77Å; W365-H414 AromaticContact CH2-CG 3.49Å; W365-H414 VanDerWaalsContact CH2-CG 3.49Å; W365-H414 AromaticContact CH2-ND1 3.75Å; W365-H414 HydrophobicContact CZ2-CB 3.9Å; W365-H414 AromaticContact CZ2-CD2 3.16Å; W365-H414 WeakPolarHBondContact CZ2-CD2 3.37Å; W365-H414 AromaticContact CZ2-CG 3.38Å; W365-H414 AromaticContact CZ2-ND1 3.96Å; W365-H414 AromaticContact CZ2-NE2 3.58Å; W365-H414 HydrophobicContact CZ3-CB 3.7Å; W365-H414 AromaticContact CZ3-CG 3.91Å; W365-H414 AromaticContact NE1-CD2 3.79Å; W365-T529 HydrophobicContact CH2-CG2 4.42Å; W365-T529 HydrophobicContact CZ2-CG2 4.01Å
366K90.4Very high90.7Very high99 Ų9939.1 Ų39.143%0.4320%0.2SC..  trans-70.3134.5-177.166.7-168.1-178.9179.90112.6D416 Q420K366-D416 WeakPolarHBondContact CD-OD1 3.41Å; K366-D416 IonicContact NZ-OD1 3.67Å; K366-D416 PolarHBondContact NZ-OD1 3.02Å; K366-D416 IonicContact NZ-OD2 3.63Å; K366-D416 PolarHBondContact NZ-OD2 3.23Å; K366-Q420 VanDerWaalsContact CA-OE1 3.23Å
367G85.9Confident90.7Very high12 Ų1239.5 Ų39.512%0.12420%0.202CC..  trans-61.8132.1176.100000112.5E373G367-E373 WeakPolarHBondContact CA-O 3.44Å
368R78.7Confident90.3Very high202 Ų20240.9 Ų40.976%0.76221%0.209SC*.  trans-92.2-7.2175.7-46.3-174.9-157-133.66.4113.5E385R368-E385 IonicContact CZ-OE1 3.2Å; R368-E385 IonicContact NE-OE1 2.75Å; R368-E385 PolarHBondContact NE-OE1 2.95Å; R368-E385 IonicContact NE-OE2 3.3Å; R368-E385 IonicContact NH2-OE1 2.7Å; R368-E385 PolarHBondContact NH2-OE1 3Å
369T74.4Confident89.8Confident80 Ų8041.2 Ų41.249%0.49121%0.212SC..SBendtrans-81.7159.2-178.458.50000111.7E371 E372T369-E371 PolarHBondContact O-N 3.25Å; T369-E371 VanDerWaalsContact O-N 3.1Å; T369-E372 PolarHBondContact O-N 2.94Å; T369-E372 VanDerWaalsContact O-N 3.12Å
370A70.1Confident89.1Confident109 Ų10950.2 Ų50.290%0.90125%0.251SS*.THydrogen-bonded Turntrans-63.3-13.3175.600000114
371E71.3Confident88.6Confident145 Ų14552 Ų5268%0.67826%0.262SS*.THydrogen-bonded Turntrans-90.5-7.5179.6-65.3165.6175.500112.7T369 E373 K423T369-E371 PolarHBondContact O-N 3.25Å; T369-E371 VanDerWaalsContact O-N 3.1Å; E371-E373 VanDerWaalsContact C-N 3.33Å; E371-E373 HydrophobicContact CB-CG 4.3Å; E371-E373 PolarHBondContact O-N 2.72Å; E371-K423 PolarHBondContact O-NZ 3.02Å; E371-K423 VanDerWaalsContact O-NZ 3.08Å
372E82.6Confident88.1Confident62 Ų6259.8 Ų59.829%0.2930%0.301SS..  trans51.347.9-178.7-67.1177.7-144.500112.7T369 K419 Q420 K423T369-E372 PolarHBondContact O-N 2.94Å; T369-E372 VanDerWaalsContact O-N 3.12Å; E372-K419 IonicContact OE1-NZ 2.67Å; E372-K419 PolarHBondContact OE1-NZ 2.84Å; E372-K419 VanDerWaalsContact OE2-CD 3.23Å; E372-K419 WeakPolarHBondContact OE2-CD 3.35Å; E372-K419 WeakPolarHBondContact OE2-CE 3.36Å; E372-K419 IonicContact OE2-NZ 2.86Å; E372-K419 PolarHBondContact OE2-NZ 3.33Å; E372-Q420 HydrophobicContact CB-CG 4.18Å; E372-K423 PolarHBondContact O-NZ 3.17Å
373E90.3Very high87.9Confident51 Ų5160.3 Ų60.324%0.23830%0.304CS..  trans-83.1123.3174-71.9-56.9152.800111.6G367 E371 K423 Y427G367-E373 WeakPolarHBondContact CA-O 3.44Å; E371-E373 VanDerWaalsContact C-N 3.33Å; E371-E373 HydrophobicContact CB-CG 4.3Å; E371-E373 PolarHBondContact O-N 2.72Å; E373-K423 VanDerWaalsContact CD-CE 3.47Å; E373-K423 WeakPolarHBondContact OE1-CE 3.39Å; E373-K423 IonicContact OE1-NZ 2.67Å; E373-K423 PolarHBondContact OE1-NZ 2.8Å; E373-K423 WeakPolarHBondContact OE2-CE 3.45Å; E373-K423 IonicContact OE2-NZ 2.67Å; E373-K423 PolarHBondContact OE2-NZ 2.69Å; E373-Y427 PolarHBondContact OE1-OH 3.3Å; E373-Y427 PolarHBondContact OE2-OH 3.13Å; E373-Y427 VanDerWaalsContact OE2-OH 3.07Å
374P93.8Very high87.7Confident0 Ų063.1 Ų63.10%032%0.321CS..  trans-60.5142.2173.6-17.629.4000111.7F388 Q420 M424P374-F388 HydrophobicContact CB-CB 3.91Å; P374-F388 HydrophobicContact CB-CG 4.28Å; P374-F388 WeakPolarHBondContact O-CB 3.36Å; P374-F388 PolarHBondContact O-N 2.82Å; P374-F388 VanDerWaalsContact O-N 3.08Å; P374-Q420 HydrophobicContact CG-CB 4.29Å; P374-M424 HydrophobicContact CB-CG 3.87Å; P374-M424 HydrophobicContact CB-SD 4.25Å; P374-M424 HydrophobicContact CG-CG 3.67Å; P374-M424 HydrophobicContact CG-SD 4.46Å
375V95.7Very high87.6Confident20 Ų2066.8 Ų66.812%0.12134%0.338CS..EExtended strand (participates in β ladder)trans-123.4159.8-178.1-63.30000111.6W365 E385 I386W365-V375 HydrophobicContact CB-CG2 4.09Å; W365-V375 PolarHBondContact N-O 2.98Å; W365-V375 PolarHBondContact O-N 2.92Å; V375-E385 HydrophobicContact CB-CB 4.31Å; V375-E385 HydrophobicContact CG2-CB 4.47Å; V375-I386 CarbonylContact C-O 3.52Å; V375-I386 VanDerWaalsContact CA-O 3.28Å; V375-I386 WeakPolarHBondContact CA-O 3.32Å
376I97.1Very high87.8Confident0 Ų066 Ų660%034%0.336CS..EExtended strand (participates in β ladder)trans-115.7130.9171.5-63.8170.7000109.6Y334 L362 D363 I386 F388 V391Y334-I376 HydrophobicContact CD1-CG2 3.56Å; Y334-I376 HydrophobicContact CD2-CG2 4.17Å; Y334-I376 HydrophobicContact CE1-CG2 4.15Å; Y334-I376 HydrophobicContact CG-CG2 3.61Å; L362-I376 HydrophobicContact CB-CD1 4.05Å; L362-I376 HydrophobicContact CD2-CD1 4.04Å; L362-I376 HydrophobicContact CG-CD1 4.25Å; D363-I376 VanDerWaalsContact O-CA 3.26Å; D363-I376 WeakPolarHBondContact O-CA 3.06Å; I376-I386 HydrophobicContact CB-CG1 4.05Å; I376-I386 PolarHBondContact N-O 2.91Å; I376-I386 WeakPolarHBondContact O-CG1 3.44Å; I376-I386 PolarHBondContact O-N 2.76Å; I376-F388 HydrophobicContact CD1-CD2 3.92Å; I376-F388 HydrophobicContact CG1-CD2 4.18Å; I376-V391 HydrophobicContact CD1-CB 3.98Å; I376-V391 HydrophobicContact CD1-CG1 3.86Å; I376-V391 HydrophobicContact CD1-CG2 4.01Å
377T95Very high88Confident8 Ų862.8 Ų62.85%0.04933%0.326CS..  trans-168164.9179.3-165.20000110D363 W365 T383 T384 E385D363-T377 WeakPolarHBondContact CB-O 3.42Å; W365-T377 HydrophobicContact CB-CG2 4.41Å; W365-T377 HydrophobicContact CG-CG2 4.09Å; W365-T377 PolarHBondContact NE1-O 3.45Å; T377-T383 PolarHBondContact OG1-O 3.04Å; T377-T383 PolarHBondContact OG1-OG1 3.45Å; T377-T384 PolarHBondContact OG1-O 2.62Å; T377-E385 HydrophobicContact CG2-CG 4.05Å
378H91.4Very high88.6Confident30 Ų3062.2 Ų62.214%0.13932%0.32CS..  trans-86119173-172.6-145.3000110.3Y334 Q339 T381 T383Y334-H378 HydrophobicContact CE2-CB 4.08Å; Y334-H378 WeakPolarHBondContact OH-CA 3.43Å; Y334-H378 VanDerWaalsContact OH-CB 3.31Å; Y334-H378 WeakPolarHBondContact OH-CB 3.37Å; Q339-H378 PolarHBondContact O-ND1 2.74Å; H378-T381 HydrophobicContact CB-CG2 4.39Å; H378-T381 WeakPolarHBondContact ND1-CG2 3.49Å; H378-T381 PolarHBondContact O-N 3.11Å; H378-T381 PolarHBondContact O-OG1 3.48Å; H378-T383 HydrophobicContact CB-CG2 4.07Å; H378-T383 PolarHBondContact N-OG1 3.25Å; H378-T383 VanDerWaalsContact N-OG1 3.1Å; H378-T383 PolarHBondContact O-OG1 2.97Å
379G86.3Confident89.4Confident6 Ų656 Ų566%0.06230%0.299CS..THydrogen-bonded Turntrans-56.6136.9-166.200000115.5T381G379-T381 WeakPolarHBondContact O-CG2 3.42Å; G379-T381 PolarHBondContact O-N 3.31Å
380F83.9Confident90.5Very high190 Ų19057.2 Ų57.283%0.83330%0.299SS*.THydrogen-bonded Turntrans58.414.5177.4-51-77.8000115.9W365W365-F380 HydrophobicContact CH2-CD2 4.14Å; W365-F380 AromaticContact CH2-CE2 3.66Å; W365-F380 HydrophobicContact CH2-CE2 3.66Å; W365-F380 HydrophobicContact CH2-CZ 4.31Å; W365-F380 AromaticContact CZ3-CE2 3.91Å; W365-F380 HydrophobicContact CZ3-CE2 3.91Å; W365-F380 HydrophobicContact CZ3-CZ 4.1Å
381T88.6Confident91.8Very high37 Ų3752 Ų5223%0.22726%0.256CS..SBendtrans-100.8-170.3176.376.90000112.7L340 H378 G379 T383L340-T381 HydrophobicContact CD2-CG2 4.12Å; H378-T381 HydrophobicContact CB-CG2 4.39Å; H378-T381 WeakPolarHBondContact ND1-CG2 3.49Å; H378-T381 PolarHBondContact O-N 3.11Å; H378-T381 PolarHBondContact O-OG1 3.48Å; G379-T381 WeakPolarHBondContact O-CG2 3.42Å; G379-T381 PolarHBondContact O-N 3.31Å; T381-T383 WeakPolarHBondContact OG1-CG2 3.31Å; T381-T383 PolarHBondContact OG1-N 2.8Å; T381-T383 PolarHBondContact OG1-OG1 2.54Å; T381-T383 VanDerWaalsContact OG1-OG1 3.05Å
382M89.5Confident93.1Very high167 Ų16745.1 Ų45.182%0.82322%0.224SC*.SBendtrans-10017.1174.3-59.3-69.9175.400112.5L340 A341L340-M382 WeakPolarHBondContact O-CB 3.36Å; L340-M382 PolarHBondContact O-N 3.3Å; A341-M382 HydrophobicContact CB-CB 4.23Å
383T92.4Very high93.8Very high11 Ų1145.9 Ų45.97%0.06723%0.227CC..PPolyproline II helixtrans-70.4147.3176.257.90000111.8L335 Q339 G342 T377 H378 T381L335-T383 HydrophobicContact CD2-CG2 3.71Å; Q339-T383 WeakPolarHBondContact O-CG2 3.5Å; G342-T383 VanDerWaalsContact O-CA 3.3Å; G342-T383 WeakPolarHBondContact O-CA 3.4Å; G342-T383 WeakPolarHBondContact O-CB 3.48Å; G342-T383 WeakPolarHBondContact O-CG2 3.46Å; T377-T383 PolarHBondContact OG1-O 3.04Å; T377-T383 PolarHBondContact OG1-OG1 3.45Å; H378-T383 HydrophobicContact CB-CG2 4.07Å; H378-T383 PolarHBondContact N-OG1 3.25Å; H378-T383 VanDerWaalsContact N-OG1 3.1Å; H378-T383 PolarHBondContact O-OG1 2.97Å; T381-T383 WeakPolarHBondContact OG1-CG2 3.31Å; T381-T383 PolarHBondContact OG1-N 2.8Å; T381-T383 PolarHBondContact OG1-OG1 2.54Å; T381-T383 VanDerWaalsContact OG1-OG1 3.05Å
384T94.3Very high94.1Very high58 Ų5843.4 Ų43.436%0.35622%0.216SC..PPolyproline II helixtrans-68.2145.8178.959.90000111.7S344 T377S344-T384 WeakPolarHBondContact CB-O 3.28Å; S344-T384 PolarHBondContact N-OG1 2.87Å; S344-T384 PolarHBondContact O-OG1 2.73Å; S344-T384 PolarHBondContact OG-O 2.83Å; T377-T384 PolarHBondContact OG1-O 2.62Å
385E94.5Very high94.4Very high77 Ų7743.4 Ų43.436%0.3622%0.216SC..PPolyproline II helixtrans-85.8139.4173.5-58.9-177.5168.600110R368 V375 T377R368-E385 IonicContact CZ-OE1 3.2Å; R368-E385 IonicContact NE-OE1 2.75Å; R368-E385 PolarHBondContact NE-OE1 2.95Å; R368-E385 IonicContact NE-OE2 3.3Å; R368-E385 IonicContact NH2-OE1 2.7Å; R368-E385 PolarHBondContact NH2-OE1 3Å; V375-E385 HydrophobicContact CB-CB 4.31Å; V375-E385 HydrophobicContact CG2-CB 4.47Å; T377-E385 HydrophobicContact CG2-CG 4.05Å
386I96.6Very high94.4Very high22 Ų2244.3 Ų44.311%0.11323%0.226CC..EExtended strand (participates in β ladder)trans-126.3155.7173.356.1169.6000111.4S344 V346 Y349 V375 I376 F388 V391S344-I386 WeakPolarHBondContact O-CG2 3.48Å; V346-I386 HydrophobicContact CG2-CB 4.22Å; V346-I386 HydrophobicContact CG2-CD1 4.11Å; Y349-I386 HydrophobicContact CE2-CD1 4.28Å; V375-I386 CarbonylContact C-O 3.52Å; V375-I386 VanDerWaalsContact CA-O 3.28Å; V375-I386 WeakPolarHBondContact CA-O 3.32Å; I376-I386 HydrophobicContact CB-CG1 4.05Å; I376-I386 PolarHBondContact N-O 2.91Å; I376-I386 WeakPolarHBondContact O-CG1 3.44Å; I376-I386 PolarHBondContact O-N 2.76Å; I386-F388 PolarHBondContact O-N 2.8Å; I386-V391 HydrophobicContact CD1-CG2 3.66Å; I386-V391 HydrophobicContact CG1-CG2 4.39Å
387S96.5Very high94.3Very high31 Ų3145.5 Ų45.522%0.21723%0.231CC..EExtended strand (participates in β ladder)trans-68.2127.5-178.4175.60000112.2K389 E390 V391S387-K389 VanDerWaalsContact C-N 3.28Å; S387-K389 PolarHBondContact O-N 2.95Å; S387-K389 PolarHBondContact OG-N 3.31Å; S387-E390 PolarHBondContact O-N 3.24Å; S387-E390 PolarHBondContact OG-N 2.87Å; S387-V391 PolarHBondContact O-N 3.01Å
388F97Very high94.4Very high0 Ų045.1 Ų45.10%023%0.229CC..Hα-helixtrans-58.6-41.4172.7175.5-93.2000111.5L362 P374 I376 I386 E390 V391 I392 F411 M424 Y427L362-F388 HydrophobicContact CD2-CE2 4.18Å; P374-F388 HydrophobicContact CB-CB 3.91Å; P374-F388 HydrophobicContact CB-CG 4.28Å; P374-F388 WeakPolarHBondContact O-CB 3.36Å; P374-F388 PolarHBondContact O-N 2.82Å; P374-F388 VanDerWaalsContact O-N 3.08Å; I376-F388 HydrophobicContact CD1-CD2 3.92Å; I376-F388 HydrophobicContact CG1-CD2 4.18Å; I386-F388 PolarHBondContact O-N 2.8Å; F388-E390 PolarHBondContact O-N 3.15Å; F388-V391 PolarHBondContact O-N 3.04Å; F388-I392 HydrophobicContact CD1-CG1 4.04Å; F388-I392 HydrophobicContact CE1-CD1 4.18Å; F388-I392 HydrophobicContact CE1-CG1 3.53Å; F388-I392 HydrophobicContact CE2-CD1 4.12Å; F388-I392 HydrophobicContact CE2-CG1 4.13Å; F388-I392 HydrophobicContact CZ-CD1 3.7Å; F388-I392 HydrophobicContact CZ-CG1 3.57Å; F388-I392 WeakPolarHBondContact O-CG1 3.2Å; F388-I392 PolarHBondContact O-N 3.44Å; F388-F411 HydrophobicContact CE2-CD1 4.46Å; F388-F411 AromaticContact CE2-CE1 3.57Å; F388-F411 HydrophobicContact CE2-CE1 3.57Å; F388-F411 HydrophobicContact CE2-CZ 4.15Å; F388-F411 AromaticContact CZ-CE1 3.7Å; F388-F411 HydrophobicContact CZ-CE1 3.7Å; F388-F411 HydrophobicContact CZ-CZ 4.05Å; F388-M424 HydrophobicContact CD1-CB 4.49Å; F388-M424 HydrophobicContact CD1-CG 4.09Å; F388-M424 HydrophobicContact CD2-CE 4.38Å; F388-M424 HydrophobicContact CE1-CB 3.83Å; F388-M424 HydrophobicContact CE1-CG 3.9Å; F388-M424 HydrophobicContact CE2-CE 3.89Å; F388-M424 HydrophobicContact CE2-CG 4.47Å; F388-M424 HydrophobicContact CG-CG 4.46Å; F388-M424 HydrophobicContact CZ-CB 3.99Å; F388-M424 HydrophobicContact CZ-CE 4.12Å; F388-M424 HydrophobicContact CZ-CG 4.11Å; F388-Y427 HydrophobicContact CD1-CD2 4.04Å; F388-Y427 HydrophobicContact CE1-CD2 4.34Å
389K96.5Very high94.6Very high73 Ų7343.7 Ų43.732%0.31722%0.222SC..Hα-helixtrans-61-45.8-179.4-176.1-178.8-178.1-81.70111.9S387 V391 I392 E393 Y427 I431S387-K389 VanDerWaalsContact C-N 3.28Å; S387-K389 PolarHBondContact O-N 2.95Å; S387-K389 PolarHBondContact OG-N 3.31Å; K389-V391 VanDerWaalsContact C-N 3.3Å; K389-V391 PolarHBondContact O-N 2.85Å; K389-I392 PolarHBondContact O-N 3.45Å; K389-E393 WeakPolarHBondContact CE-OE1 3.45Å; K389-E393 IonicContact NZ-OE1 3.83Å; K389-E393 PolarHBondContact NZ-OE1 3.06Å; K389-E393 WeakPolarHBondContact O-CG 3.45Å; K389-E393 PolarHBondContact O-N 2.99Å; K389-Y427 HydrophobicContact CB-CD2 4.17Å; K389-Y427 HydrophobicContact CB-CE2 3.99Å; K389-Y427 HydrophobicContact CD-CD1 4.34Å; K389-Y427 HydrophobicContact CD-CE1 3.77Å; K389-Y427 HydrophobicContact CD-CE2 4.32Å; K389-Y427 HydrophobicContact CG-CD1 4.27Å; K389-Y427 HydrophobicContact CG-CD2 4.46Å; K389-Y427 HydrophobicContact CG-CE1 4.17Å; K389-Y427 HydrophobicContact CG-CE2 4.33Å; K389-Y427 HydrophobicContact CG-CG 4.44Å; K389-I431 HydrophobicContact CG-CD1 4.16Å
390E96.7Very high95.1Very high105 Ų10545.7 Ų45.749%0.49123%0.229SC..Hα-helixtrans-64.7-34.8178.9-65.8178.4165.100112.1V346 S387 F388 A394V346-E390 HydrophobicContact CG1-CB 4.13Å; V346-E390 WeakPolarHBondContact CG1-O 3.43Å; V346-E390 HydrophobicContact CG2-CB 3.9Å; S387-E390 PolarHBondContact O-N 3.24Å; S387-E390 PolarHBondContact OG-N 2.87Å; F388-E390 PolarHBondContact O-N 3.15Å; E390-A394 VanDerWaalsContact O-CB 3.27Å; E390-A394 WeakPolarHBondContact O-CB 3.47Å; E390-A394 PolarHBondContact O-N 3.4Å
391V98.3Very high95.6Very high0 Ų039.6 Ų39.60%020%0.202CC..Hα-helixtrans-65.3-45173.1168.10000111.4V346 Y349 L362 I376 I386 S387 F388 K389 E393 A394 I395V346-V391 HydrophobicContact CB-CG2 4.49Å; V346-V391 HydrophobicContact CG1-CG2 4.47Å; V346-V391 HydrophobicContact CG2-CG2 4.02Å; Y349-V391 HydrophobicContact CD1-CG1 4.02Å; Y349-V391 HydrophobicContact CD2-CB 4.38Å; Y349-V391 HydrophobicContact CD2-CG1 3.75Å; Y349-V391 HydrophobicContact CD2-CG2 3.86Å; Y349-V391 HydrophobicContact CE1-CG1 3.78Å; Y349-V391 HydrophobicContact CE2-CB 4.16Å; Y349-V391 HydrophobicContact CE2-CG1 3.49Å; Y349-V391 VanDerWaalsContact CE2-CG1 3.49Å; Y349-V391 HydrophobicContact CE2-CG2 3.51Å; Y349-V391 HydrophobicContact CG-CG1 3.99Å; Y349-V391 VanDerWaalsContact CZ-CG1 3.48Å; L362-V391 HydrophobicContact CD2-CG1 3.86Å; L362-V391 HydrophobicContact CG-CG1 4.48Å; I376-V391 HydrophobicContact CD1-CB 3.98Å; I376-V391 HydrophobicContact CD1-CG1 3.86Å; I376-V391 HydrophobicContact CD1-CG2 4.01Å; I386-V391 HydrophobicContact CD1-CG2 3.66Å; I386-V391 HydrophobicContact CG1-CG2 4.39Å; S387-V391 PolarHBondContact O-N 3.01Å; F388-V391 PolarHBondContact O-N 3.04Å; K389-V391 VanDerWaalsContact C-N 3.3Å; K389-V391 PolarHBondContact O-N 2.85Å; V391-E393 PolarHBondContact O-N 2.87Å; V391-A394 PolarHBondContact O-N 3.24Å; V391-I395 HydrophobicContact CG1-CD1 3.72Å; V391-I395 HydrophobicContact CG1-CG1 4.38Å; V391-I395 WeakPolarHBondContact O-CB 3.36Å; V391-I395 VanDerWaalsContact O-CG1 3.26Å; V391-I395 WeakPolarHBondContact O-CG1 3.21Å; V391-I395 PolarHBondContact O-N 2.9Å
392I98.2Very high95.9Very high0 Ų039.6 Ų39.60%020%0.202CC..Hα-helixtrans-63.4-40.8176.7-64.6-61.9000111.3L362 F388 K389 I395 A396 I431 F432L362-I392 HydrophobicContact CD2-CD1 4Å; F388-I392 HydrophobicContact CD1-CG1 4.04Å; F388-I392 HydrophobicContact CE1-CD1 4.18Å; F388-I392 HydrophobicContact CE1-CG1 3.53Å; F388-I392 HydrophobicContact CE2-CD1 4.12Å; F388-I392 HydrophobicContact CE2-CG1 4.13Å; F388-I392 HydrophobicContact CZ-CD1 3.7Å; F388-I392 HydrophobicContact CZ-CG1 3.57Å; F388-I392 WeakPolarHBondContact O-CG1 3.2Å; F388-I392 PolarHBondContact O-N 3.44Å; K389-I392 PolarHBondContact O-N 3.45Å; I392-I395 PolarHBondContact O-N 2.78Å; I392-A396 WeakPolarHBondContact O-CB 3.47Å; I392-A396 PolarHBondContact O-N 2.97Å; I392-I431 HydrophobicContact CB-CD1 4.23Å; I392-I431 HydrophobicContact CG2-CB 3.77Å; I392-I431 HydrophobicContact CG2-CD1 3.72Å; I392-I431 HydrophobicContact CG2-CG1 4.35Å; I392-I431 HydrophobicContact CG2-CG2 3.86Å; I392-F432 HydrophobicContact CB-CZ 4.42Å; I392-F432 HydrophobicContact CD1-CE2 3.96Å; I392-F432 HydrophobicContact CD1-CZ 3.71Å; I392-F432 HydrophobicContact CG2-CD1 4.43Å; I392-F432 HydrophobicContact CG2-CD2 4.48Å; I392-F432 HydrophobicContact CG2-CE1 3.91Å; I392-F432 HydrophobicContact CG2-CE2 3.99Å; I392-F432 HydrophobicContact CG2-CZ 3.69Å
393E97.3Very high96.2Very high77 Ų7731.7 Ų31.736%0.3616%0.164SC..Hα-helixtrans-63.3-39.9173.4-70.2175.7-175.400112.7K389 V391 A396 E397 I431K389-E393 WeakPolarHBondContact CE-OE1 3.45Å; K389-E393 IonicContact NZ-OE1 3.83Å; K389-E393 PolarHBondContact NZ-OE1 3.06Å; K389-E393 WeakPolarHBondContact O-CG 3.45Å; K389-E393 PolarHBondContact O-N 2.99Å; V391-E393 PolarHBondContact O-N 2.87Å; E393-A396 PolarHBondContact O-N 3.09Å; E393-E397 PolarHBondContact O-N 3.12Å; E393-I431 HydrophobicContact CB-CG2 4.45Å; E393-I431 HydrophobicContact CG-CD1 4Å; E393-I431 HydrophobicContact CG-CG1 4.42Å; E393-I431 HydrophobicContact CG-CG2 3.88Å
394A97.5Very high96.5Very high0 Ų033 Ų330%017%0.172CC..Hα-helixtrans-69.4-37176.900000113.3V346 R350 E390 V391 C398V346-A394 HydrophobicContact CG1-CB 3.56Å; R350-A394 HydrophobicContact CG-CB 3.96Å; E390-A394 VanDerWaalsContact O-CB 3.27Å; E390-A394 WeakPolarHBondContact O-CB 3.47Å; E390-A394 PolarHBondContact O-N 3.4Å; V391-A394 PolarHBondContact O-N 3.24Å; A394-C398 PolarHBondContact O-N 2.8Å
395I98.3Very high96.7Very high0 Ų030.6 Ų30.60%016%0.157CC..Hα-helixtrans-65.1-47.5172.6-69.2166.8000109.5Y349 L353 V360 L362 V391 I392 E397 C398 A399 L409 F432Y349-I395 HydrophobicContact CD1-CD1 3.95Å; Y349-I395 HydrophobicContact CD1-CG1 4.1Å; Y349-I395 HydrophobicContact CE1-CD1 4.3Å; Y349-I395 HydrophobicContact CG-CG1 4.41Å; L353-I395 HydrophobicContact CD1-CB 4.22Å; L353-I395 HydrophobicContact CD1-CG1 4.11Å; L353-I395 HydrophobicContact CD1-CG2 4.12Å; V360-I395 HydrophobicContact CG2-CD1 4.36Å; L362-I395 HydrophobicContact CD1-CD1 4.45Å; L362-I395 HydrophobicContact CD2-CD1 4.03Å; V391-I395 HydrophobicContact CG1-CD1 3.72Å; V391-I395 HydrophobicContact CG1-CG1 4.38Å; V391-I395 WeakPolarHBondContact O-CB 3.36Å; V391-I395 VanDerWaalsContact O-CG1 3.26Å; V391-I395 WeakPolarHBondContact O-CG1 3.21Å; V391-I395 PolarHBondContact O-N 2.9Å; I392-I395 PolarHBondContact O-N 2.78Å; I395-E397 VanDerWaalsContact C-N 3.28Å; I395-E397 PolarHBondContact O-N 3.35Å; I395-C398 PolarHBondContact O-N 3.1Å; I395-A399 WeakPolarHBondContact O-CA 3.49Å; I395-A399 WeakPolarHBondContact O-CB 3.5Å; I395-A399 PolarHBondContact O-N 3.36Å; I395-L409 HydrophobicContact CD1-CD2 4.17Å; I395-L409 HydrophobicContact CG2-CD2 4.2Å; I395-F432 HydrophobicContact CB-CE1 4.1Å; I395-F432 HydrophobicContact CB-CZ 4.33Å; I395-F432 HydrophobicContact CG2-CE1 3.71Å; I395-F432 HydrophobicContact CG2-CZ 3.9Å
396A97.3Very high96.8Very high39 Ų3926.9 Ų26.932%0.32214%0.139SC..Hα-helixtrans-59.6-36.3179.100000112.9I392 E393 I431 F432I392-A396 WeakPolarHBondContact O-CB 3.47Å; I392-A396 PolarHBondContact O-N 2.97Å; E393-A396 PolarHBondContact O-N 3.09Å; A396-I431 HydrophobicContact CB-CG2 3.89Å; A396-F432 HydrophobicContact CB-CD1 3.8Å; A396-F432 HydrophobicContact CB-CE1 4.01Å
397E94.9Very high96.9Very high24 Ų2425.9 Ų25.911%0.11213%0.134CC..Hα-helixtrans-67.4-47.9175.5-176.3-164.7143.900113.2R73 H77 R350 E393 I395 K401R73-E397 WeakPolarHBondContact CD-OE1 3.2Å; R73-E397 IonicContact NE-OE1 2.8Å; R73-E397 PolarHBondContact NE-OE1 3.37Å; H77-E397 HydrophobicContact CB-CG 4.48Å; H77-E397 IonicContact CE1-OE2 2.62Å; H77-E397 IonicContact CG-OE2 3.21Å; H77-E397 VanDerWaalsContact ND1-CG 3.32Å; H77-E397 WeakPolarHBondContact ND1-CG 3.44Å; H77-E397 IonicContact ND1-OE2 3.64Å; H77-E397 PolarHBondContact ND1-OE2 2.78Å; R350-E397 IonicContact CZ-OE2 3.56Å; R350-E397 VanDerWaalsContact CZ-OE2 3.26Å; R350-E397 IonicContact NE-OE1 3.26Å; R350-E397 IonicContact NE-OE2 2.79Å; R350-E397 PolarHBondContact NE-OE2 2.91Å; R350-E397 IonicContact NH2-OE2 2.73Å; R350-E397 PolarHBondContact NH2-OE2 3.07Å; E393-E397 PolarHBondContact O-N 3.12Å; I395-E397 VanDerWaalsContact C-N 3.28Å; I395-E397 PolarHBondContact O-N 3.35Å; E397-K401 WeakPolarHBondContact O-CE 3.42Å; E397-K401 IonicContact OE1-NZ 3.32Å; E397-K401 PolarHBondContact OE1-NZ 2.77Å
398C96.3Very high97Very high0 Ų024.4 Ų24.40%012%0.124CC..Hα-helixtrans-98.6-11.5-168.8-74.80000114.8R350 L353 L354 A394 I395 F400 K401R350-C398 HydrophobicContact CB-CB 4.29Å; R350-C398 HydrophobicContact CG-CB 4.29Å; R350-C398 VanDerWaalsContact CG-SG 3.59Å; L353-C398 HydrophobicContact CB-CB 4.29Å; L353-C398 HydrophobicContact CD1-CB 4.39Å; L354-C398 HydrophobicContact CG-CB 4.36Å; A394-C398 PolarHBondContact O-N 2.8Å; I395-C398 PolarHBondContact O-N 3.1Å; C398-F400 PolarHBondContact O-N 3.29Å; C398-K401 HydrophobicContact CB-CD 4.41Å; C398-K401 PolarHBondContact O-N 3.38Å; C398-K401 PolarHBondContact SG-NZ 2.83Å
399A95Very high97.1Very high0 Ų024.4 Ų24.40%012%0.124CC..THydrogen-bonded Turntrans-41-59.8-176.800000113.6R358 I395 I407R358-A399 VanDerWaalsContact CZ-O 3.31Å; R358-A399 PolarHBondContact NH1-O 3.31Å; R358-A399 PolarHBondContact NH2-O 2.64Å; I395-A399 WeakPolarHBondContact O-CA 3.49Å; I395-A399 WeakPolarHBondContact O-CB 3.5Å; I395-A399 PolarHBondContact O-N 3.36Å; A399-I407 HydrophobicContact CB-CD1 3.4Å; A399-I407 VanDerWaalsContact CB-CD1 3.4Å; A399-I407 WeakPolarHBondContact O-CD1 3.48Å
400F97.1Very high97.2Very high49 Ų4920.9 Ų20.922%0.21511%0.109CC..THydrogen-bonded Turntrans-10915.6-170-51.5-64.6000114C398 S403 I407 A435 Y460 I462C398-F400 PolarHBondContact O-N 3.29Å; F400-S403 WeakPolarHBondContact CA-O 3.43Å; F400-I407 HydrophobicContact CE1-CD1 4.04Å; F400-I407 HydrophobicContact CE1-CG1 4.44Å; F400-I407 HydrophobicContact CZ-CD1 4.35Å; F400-A435 HydrophobicContact CE2-CB 4.22Å; F400-Y460 HydrophobicContact CB-CD1 3.82Å; F400-Y460 HydrophobicContact CB-CE1 4.09Å; F400-Y460 HydrophobicContact CD1-CD1 4.19Å; F400-Y460 HydrophobicContact CD2-CD1 4.14Å; F400-Y460 WeakPolarHBondContact CE2-O 3.2Å; F400-Y460 AromaticContact CG-CD1 3.78Å; F400-Y460 HydrophobicContact CG-CD1 3.78Å; F400-Y460 WeakPolarHBondContact CZ-O 3.41Å; F400-I462 HydrophobicContact CE2-CD1 4.31Å; F400-I462 HydrophobicContact CE2-CG1 4.13Å; F400-I462 HydrophobicContact CZ-CD1 4.4Å; F400-I462 HydrophobicContact CZ-CG1 3.78Å
401K95.1Very high97.2Very high62 Ų6215.9 Ų15.927%0.279%0.085SC..THydrogen-bonded Turntrans-63.7-45.4178.3-78.3-175.2-177.8173.80112.6D71 F135 L354 E397 C398D71-K401 VanDerWaalsContact CG-NZ 3.25Å; D71-K401 IonicContact OD1-NZ 3.67Å; D71-K401 PolarHBondContact OD1-NZ 3.44Å; D71-K401 IonicContact OD2-NZ 2.95Å; D71-K401 PolarHBondContact OD2-NZ 2.77Å; F135-K401 HydrophobicContact CE1-CB 4.14Å; F135-K401 WeakPolarHBondContact CE1-O 3.29Å; F135-K401 HydrophobicContact CZ-CB 3.78Å; F135-K401 HydrophobicContact CZ-CD 4.43Å; L354-K401 HydrophobicContact CD2-CB 3.89Å; L354-K401 HydrophobicContact CD2-CD 3.77Å; L354-K401 HydrophobicContact CD2-CG 4.48Å; E397-K401 WeakPolarHBondContact O-CE 3.42Å; E397-K401 IonicContact OE1-NZ 3.32Å; E397-K401 PolarHBondContact OE1-NZ 2.77Å; C398-K401 HydrophobicContact CB-CD 4.41Å; C398-K401 PolarHBondContact O-N 3.38Å; C398-K401 PolarHBondContact SG-NZ 2.83Å
402T94.4Very high97Very high36 Ų3616.5 Ų16.522%0.2219%0.088CC..SBendtrans-108.5-12.5-176.850.30000115.2F135 T139 L353 L354F135-T402 HydrophobicContact CE1-CG2 4.34Å; F135-T402 HydrophobicContact CZ-CG2 3.65Å; T139-T402 HydrophobicContact CG2-CG2 4.11Å; L353-T402 PolarHBondContact O-OG1 2.75Å; L354-T402 HydrophobicContact CD2-CG2 4.11Å; L354-T402 VanDerWaalsContact O-CG2 3.28Å; L354-T402 WeakPolarHBondContact O-CG2 3.28Å; L354-T402 PolarHBondContact O-OG1 2.81Å; L354-T402 VanDerWaalsContact O-OG1 3.1Å
403S96.6Very high96.8Very high2 Ų216.5 Ų16.51%0.0149%0.088CC..  trans-151.9130.6177.6170.70000110.2R358 F400 F405 S646R358-S403 PolarHBondContact NH1-O 2.71Å; F400-S403 WeakPolarHBondContact CA-O 3.43Å; S403-F405 PolarHBondContact O-N 2.97Å; S403-F405 PolarHBondContact OG-N 3.24Å; S403-S646 WeakPolarHBondContact CB-O 3.26Å; S403-S646 WeakPolarHBondContact OG-CA 3.37Å; S403-S646 PolarHBondContact OG-O 3.36Å
404P97.1Very high96.5Very high38 Ų3813.6 Ų13.625%0.2478%0.075CC..  trans-78.4-8176.834.7-37.1000112.9M459 Y460P404-M459 CarbonylContact O-C 3.52Å; P404-M459 WeakPolarHBondContact O-CA 3.46Å; P404-Y460 HydrophobicContact CB-CD1 4.42Å; P404-Y460 HydrophobicContact CB-CE1 3.71Å; P404-Y460 HydrophobicContact CB-CE2 4.11Å; P404-Y460 PolarHBondContact O-N 3.08Å
405F98.6Very high96.2Very high7 Ų713.6 Ų13.63%0.0318%0.075CC..SBendtrans-78.5152.4-173.5-66.5-71.3000112.4L314 M318 R358 S403 P455 M459 Y648L314-F405 HydrophobicContact CD1-CE2 3.66Å; L314-F405 HydrophobicContact CD1-CZ 4.09Å; L314-F405 HydrophobicContact CD2-CE2 4.06Å; L314-F405 HydrophobicContact CD2-CZ 4.04Å; M318-F405 HydrophobicContact CB-CE1 3.96Å; M318-F405 HydrophobicContact CB-CZ 4.2Å; M318-F405 HydrophobicContact CE-CD1 3.68Å; M318-F405 HydrophobicContact CE-CD2 4.14Å; M318-F405 HydrophobicContact CE-CE1 3.59Å; M318-F405 HydrophobicContact CE-CE2 4.05Å; M318-F405 HydrophobicContact CE-CG 3.96Å; M318-F405 HydrophobicContact CE-CZ 3.78Å; M318-F405 HydrophobicContact CG-CE1 4Å; M318-F405 HydrophobicContact CG-CZ 3.79Å; M318-F405 HydrophobicContact SD-CZ 4.5Å; R358-F405 PolarHBondContact NH1-O 2.56Å; S403-F405 PolarHBondContact O-N 2.97Å; S403-F405 PolarHBondContact OG-N 3.24Å; F405-P455 HydrophobicContact CD1-CB 3.85Å; F405-P455 HydrophobicContact CE1-CB 4.45Å; F405-M459 HydrophobicContact CD1-CG 4.09Å; F405-M459 HydrophobicContact CE1-CG 4.1Å; F405-M459 HydrophobicContact CE1-SD 4.24Å; F405-Y648 HydrophobicContact CB-CD2 3.56Å; F405-Y648 HydrophobicContact CB-CE2 3.55Å; F405-Y648 HydrophobicContact CG-CD2 4.24Å
406P98.4Very high95.7Very high0 Ų018.2 Ų18.20%010%0.099CC..  trans-57.6154.8-167.119.7-34.5000114.7P455 L458 K461 L463 Y648P406-P455 WeakPolarHBondContact CD-O 3.2Å; P406-P455 HydrophobicContact CG-CB 4.49Å; P406-L458 HydrophobicContact CB-CB 3.91Å; P406-L458 WeakPolarHBondContact CB-O 3.33Å; P406-L458 WeakPolarHBondContact CD-O 3.49Å; P406-L458 HydrophobicContact CG-CB 3.67Å; P406-K461 WeakPolarHBondContact CA-O 3.44Å; P406-K461 WeakPolarHBondContact CB-O 3.47Å; P406-L463 HydrophobicContact CB-CD1 3.78Å; P406-Y648 HydrophobicContact CG-CE2 4.43Å; P406-Y648 PolarHBondContact O-OH 3.32Å
407I98.2Very high95.4Very high0 Ų017.8 Ų17.80%09%0.094CC..EExtended strand (participates in β ladder)trans-113.3138175.4-72.7159.4000110.8L353 R358 A399 F400 L409 K461 I462 L463L353-I407 HydrophobicContact CD2-CD1 3.84Å; L353-I407 HydrophobicContact CD2-CG1 4.24Å; L353-I407 HydrophobicContact CD2-CG2 4.48Å; R358-I407 CarbonylContact O-C 3.5Å; R358-I407 VanDerWaalsContact O-CA 3.3Å; R358-I407 WeakPolarHBondContact O-CA 3.42Å; A399-I407 HydrophobicContact CB-CD1 3.4Å; A399-I407 VanDerWaalsContact CB-CD1 3.4Å; A399-I407 WeakPolarHBondContact O-CD1 3.48Å; F400-I407 HydrophobicContact CE1-CD1 4.04Å; F400-I407 HydrophobicContact CE1-CG1 4.44Å; F400-I407 HydrophobicContact CZ-CD1 4.35Å; I407-L409 HydrophobicContact CG2-CD2 3.73Å; I407-L409 HydrophobicContact CG2-CG 4.48Å; I407-K461 PolarHBondContact N-O 2.58Å; I407-I462 WeakPolarHBondContact O-CA 3.09Å; I407-L463 PolarHBondContact O-N 3.18Å
408L98.6Very high95.1Very high0 Ų020.5 Ų20.50%011%0.114CC..EExtended strand (participates in β ladder)trans-106.1121.6176.1-46.7-176.8000108.9L322 I327 R358 C359 V360 L463 I547 M621L322-L408 HydrophobicContact CD2-CD2 4.37Å; I327-L408 HydrophobicContact CD1-CD1 4.03Å; R358-L408 PolarHBondContact O-N 3.32Å; C359-L408 WeakPolarHBondContact CA-O 3.48Å; C359-L408 HydrophobicContact CB-CB 4.2Å; V360-L408 PolarHBondContact N-O 3.26Å; L408-L463 HydrophobicContact CD2-CB 4.04Å; L408-L463 HydrophobicContact CD2-CD1 4.14Å; L408-L463 HydrophobicContact CD2-CG 4.49Å; L408-I547 HydrophobicContact CD2-CD1 3.93Å; L408-I547 HydrophobicContact CD2-CG1 4.12Å; L408-M621 HydrophobicContact CB-CE 4.25Å; L408-M621 HydrophobicContact CD1-CE 3.73Å; L408-M621 HydrophobicContact CD1-CG 4.16Å; L408-M621 HydrophobicContact CD1-SD 3.68Å
409L98.5Very high94.9Very high0 Ų026.9 Ų26.90%014%0.141CC..EExtended strand (participates in β ladder)trans-98.3106.8175-57-173.7000109.3V360 L362 I395 I407 F411 F432 I462 L463 K465V360-L409 HydrophobicContact CG2-CD2 3.5Å; L362-L409 HydrophobicContact CD1-CB 4.11Å; L362-L409 HydrophobicContact CD1-CD2 4.2Å; I395-L409 HydrophobicContact CD1-CD2 4.17Å; I395-L409 HydrophobicContact CG2-CD2 4.2Å; I407-L409 HydrophobicContact CG2-CD2 3.73Å; I407-L409 HydrophobicContact CG2-CG 4.48Å; L409-F411 HydrophobicContact CB-CD2 4.04Å; L409-F411 HydrophobicContact CB-CE2 3.69Å; L409-F411 HydrophobicContact CD1-CE2 4.1Å; L409-F411 PolarHBondContact O-N 2.72Å; L409-F432 HydrophobicContact CD1-CE2 3.64Å; L409-F432 HydrophobicContact CD1-CZ 3.71Å; L409-I462 HydrophobicContact CD1-CG2 3.55Å; L409-I462 HydrophobicContact CD2-CG2 4.37Å; L409-I462 HydrophobicContact CG-CG2 3.71Å; L409-L463 PolarHBondContact N-O 2.99Å; L409-K465 WeakPolarHBondContact O-CB 3.31Å; L409-K465 PolarHBondContact O-N 3.17Å
410S98.1Very high94.7Very high0 Ų027.3 Ų27.30%014%0.143CC..EExtended strand (participates in β ladder)trans-79.296.7171.4-178.10000109V360 E361 L362 K465V360-S410 PolarHBondContact O-N 2.86Å; E361-S410 CarbonylContact C-O 3.57Å; E361-S410 WeakPolarHBondContact CA-O 3.08Å; E361-S410 PolarHBondContact OE1-OG 2.76Å; L362-S410 PolarHBondContact N-O 3.29Å; S410-K465 WeakPolarHBondContact OG-CD 3.29Å; S410-K465 PolarHBondContact OG-NZ 2.79Å
411F96.9Very high94.5Very high0 Ų025.1 Ų25.10%013%0.134CC..EExtended strand (participates in β ladder)trans-78.1132.7167.3-73.4-114.1000108.5F388 L409 M424 V464 K465 N466 M540F388-F411 HydrophobicContact CE2-CD1 4.46Å; F388-F411 AromaticContact CE2-CE1 3.57Å; F388-F411 HydrophobicContact CE2-CE1 3.57Å; F388-F411 HydrophobicContact CE2-CZ 4.15Å; F388-F411 AromaticContact CZ-CE1 3.7Å; F388-F411 HydrophobicContact CZ-CE1 3.7Å; F388-F411 HydrophobicContact CZ-CZ 4.05Å; L409-F411 HydrophobicContact CB-CD2 4.04Å; L409-F411 HydrophobicContact CB-CE2 3.69Å; L409-F411 HydrophobicContact CD1-CE2 4.1Å; L409-F411 PolarHBondContact O-N 2.72Å; F411-M424 HydrophobicContact CD1-CE 3.84Å; F411-M424 HydrophobicContact CE1-CE 3.75Å; F411-V464 HydrophobicContact CD2-CG1 3.78Å; F411-V464 HydrophobicContact CE2-CG1 3.8Å; F411-V464 HydrophobicContact CE2-CG2 4.19Å; F411-K465 WeakPolarHBondContact CB-O 3.33Å; F411-K465 PolarHBondContact N-O 3.15Å; F411-K465 PolarHBondContact O-NZ 3.4Å; F411-N466 HydrophobicContact CB-CB 4.15Å; F411-M540 HydrophobicContact CD1-CE 3.93Å; F411-M540 HydrophobicContact CE1-CE 3.75Å; F411-M540 HydrophobicContact CZ-CE 4.28Å
412E94.5Very high94.4Very high12 Ų1223.5 Ų23.56%0.05613%0.132CC..EExtended strand (participates in β ladder)trans-108.9104.9158.1-169.2-176.6115.200106.4L362 D363 C364 H414 T529 A530 E533L362-E412 PolarHBondContact O-N 2.79Å; D363-E412 CarbonylContact C-O 3.57Å; C364-E412 PolarHBondContact N-O 2.89Å; E412-H414 IonicContact OE1-CD2 2.62Å; E412-H414 IonicContact OE1-CE1 2.79Å; E412-H414 IonicContact OE1-NE2 3.16Å; E412-H414 PolarHBondContact OE1-NE2 3.3Å; E412-T529 WeakPolarHBondContact OE1-CB 3.35Å; E412-T529 PolarHBondContact OE1-OG1 3.49Å; E412-A530 VanDerWaalsContact CD-CA 3.48Å; E412-A530 PolarHBondContact OE1-N 3.01Å; E412-A530 VanDerWaalsContact OE2-CA 3.25Å; E412-A530 WeakPolarHBondContact OE2-CA 3.42Å; E412-A530 VanDerWaalsContact OE2-CB 3.24Å; E412-A530 WeakPolarHBondContact OE2-CB 3.44Å; E412-A530 PolarHBondContact OE2-N 3.28Å; E412-E533 HydrophobicContact CG-CG 3.65Å
413N93.3Very high94.4Very high0 Ų023.6 Ų23.60%013%0.129CC..EExtended strand (participates in β ladder)trans-100.1108.5-162.8-178.515.6000112.3V415 Q421 E533 A534N413-V415 PolarHBondContact OD1-N 2.94Å; N413-Q421 PolarHBondContact ND2-OE1 3.48Å; N413-E533 CarbonylContact O-C 3.4Å; N413-A534 WeakPolarHBondContact O-CB 3.17Å; N413-A534 PolarHBondContact O-N 3.01Å
414H92.3Very high94.4Very high17 Ų1723.5 Ų23.58%0.07913%0.129CC..  trans-110.411.2176.2-64-71.7000113.5C364 W365 E412 D416 T529C364-H414 CarbonylContact O-C 3.53Å; C364-H414 WeakPolarHBondContact O-CA 3.48Å; C364-H414 WeakPolarHBondContact O-CB 2.99Å; C364-H414 PolarHBondContact O-N 2.88Å; W365-H414 HydrophobicContact CD2-CB 3.68Å; W365-H414 AromaticContact CE2-CD2 3.42Å; W365-H414 VanDerWaalsContact CE2-CD2 3.42Å; W365-H414 AromaticContact CE2-CG 3.71Å; W365-H414 HydrophobicContact CE3-CB 3.61Å; W365-H414 HydrophobicContact CG-CB 4.33Å; W365-H414 HydrophobicContact CH2-CB 3.83Å; W365-H414 AromaticContact CH2-CD2 3.77Å; W365-H414 AromaticContact CH2-CG 3.49Å; W365-H414 VanDerWaalsContact CH2-CG 3.49Å; W365-H414 AromaticContact CH2-ND1 3.75Å; W365-H414 HydrophobicContact CZ2-CB 3.9Å; W365-H414 AromaticContact CZ2-CD2 3.16Å; W365-H414 WeakPolarHBondContact CZ2-CD2 3.37Å; W365-H414 AromaticContact CZ2-CG 3.38Å; W365-H414 AromaticContact CZ2-ND1 3.96Å; W365-H414 AromaticContact CZ2-NE2 3.58Å; W365-H414 HydrophobicContact CZ3-CB 3.7Å; W365-H414 AromaticContact CZ3-CG 3.91Å; W365-H414 AromaticContact NE1-CD2 3.79Å; E412-H414 IonicContact OE1-CD2 2.62Å; E412-H414 IonicContact OE1-CE1 2.79Å; E412-H414 IonicContact OE1-NE2 3.16Å; E412-H414 PolarHBondContact OE1-NE2 3.3Å; H414-D416 PolarHBondContact O-N 2.97Å; H414-D416 VanDerWaalsContact O-N 3.12Å; H414-T529 PolarHBondContact CE1-O 3.43Å
415V91.6Very high94.3Very high0 Ų021.7 Ų21.70%012%0.117CC..  trans-79.796.5-179.7-176.20000109.9C364 N413 S417 Q420 Q421 M424C364-V415 HydrophobicContact CB-CG2 4.11Å; C364-V415 WeakPolarHBondContact O-CG2 3.33Å; C364-V415 PolarHBondContact O-N 2.82Å; N413-V415 PolarHBondContact OD1-N 2.94Å; V415-S417 VanDerWaalsContact C-N 3.3Å; V415-S417 PolarHBondContact O-N 3.07Å; V415-Q420 HydrophobicContact CG1-CB 3.4Å; V415-Q420 VanDerWaalsContact CG1-CB 3.4Å; V415-Q421 HydrophobicContact CB-CG 3.93Å; V415-Q421 HydrophobicContact CG1-CG 3.94Å; V415-Q421 WeakPolarHBondContact O-CG 3.18Å; V415-Q421 PolarHBondContact O-NE2 3.37Å; V415-M424 HydrophobicContact CB-SD 4.18Å; V415-M424 HydrophobicContact CG1-SD 4.43Å; V415-M424 HydrophobicContact CG2-SD 3.64Å
416D87.5Confident94.2Very high96 Ų9626.9 Ų26.951%0.51314%0.141SC..  trans-71.4-19.2178.860.29.8000114.5K366 H414 P418K366-D416 WeakPolarHBondContact CD-OD1 3.41Å; K366-D416 IonicContact NZ-OD1 3.67Å; K366-D416 PolarHBondContact NZ-OD1 3.02Å; K366-D416 IonicContact NZ-OD2 3.63Å; K366-D416 PolarHBondContact NZ-OD2 3.23Å; H414-D416 PolarHBondContact O-N 2.97Å; H414-D416 VanDerWaalsContact O-N 3.12Å; D416-P418 WeakPolarHBondContact O-CD 3.45Å
417S89.4Confident94.1Very high31 Ų3128.2 Ų28.222%0.21715%0.146CC..  trans-83.2118.5178.61760000112.4V415 K419 Q420 Q421V415-S417 VanDerWaalsContact C-N 3.3Å; V415-S417 PolarHBondContact O-N 3.07Å; S417-K419 VanDerWaalsContact C-N 3.26Å; S417-K419 PolarHBondContact O-N 2.68Å; S417-Q420 PolarHBondContact O-N 2.71Å; S417-Q420 VanDerWaalsContact O-N 3.12Å; S417-Q421 PolarHBondContact O-N 2.76Å
418P90Very high94.1Very high81 Ų8128.2 Ų28.253%0.52615%0.146SC..Hα-helixtrans-60.9-33.8177.6-25.635.9000113.7D416 Q420 Q421 A422 T537D416-P418 WeakPolarHBondContact O-CD 3.45Å; P418-Q420 VanDerWaalsContact C-N 3.32Å; P418-Q420 PolarHBondContact O-N 2.95Å; P418-Q421 PolarHBondContact O-N 3.13Å; P418-A422 WeakPolarHBondContact O-CB 3.44Å; P418-A422 PolarHBondContact O-N 2.85Å; P418-T537 HydrophobicContact CB-CG2 3.77Å; P418-T537 HydrophobicContact CG-CG2 4.39Å
419K90.8Very high94Very high133 Ų13332.4 Ų32.458%0.57816%0.162SC*.Hα-helixtrans-62.1-39.4176.3178.1179.6162.7-1550111.6E372 S417 K423E372-K419 IonicContact OE1-NZ 2.67Å; E372-K419 PolarHBondContact OE1-NZ 2.84Å; E372-K419 VanDerWaalsContact OE2-CD 3.23Å; E372-K419 WeakPolarHBondContact OE2-CD 3.35Å; E372-K419 WeakPolarHBondContact OE2-CE 3.36Å; E372-K419 IonicContact OE2-NZ 2.86Å; E372-K419 PolarHBondContact OE2-NZ 3.33Å; S417-K419 VanDerWaalsContact C-N 3.26Å; S417-K419 PolarHBondContact O-N 2.68Å; K419-K423 WeakPolarHBondContact O-CB 3.44Å; K419-K423 PolarHBondContact O-N 3.12Å; K419-K423 VanDerWaalsContact O-N 3.15Å
420Q91.7Very high93.9Very high9 Ų938.6 Ų38.64%0.04220%0.195CC..Hα-helixtrans-75.5-37.2176.4-71-17317.300111.9K366 E372 P374 V415 S417 P418 K423 M424K366-Q420 VanDerWaalsContact CA-OE1 3.23Å; E372-Q420 HydrophobicContact CB-CG 4.18Å; P374-Q420 HydrophobicContact CG-CB 4.29Å; V415-Q420 HydrophobicContact CG1-CB 3.4Å; V415-Q420 VanDerWaalsContact CG1-CB 3.4Å; S417-Q420 PolarHBondContact O-N 2.71Å; S417-Q420 VanDerWaalsContact O-N 3.12Å; P418-Q420 VanDerWaalsContact C-N 3.32Å; P418-Q420 PolarHBondContact O-N 2.95Å; Q420-K423 WeakPolarHBondContact O-CB 3.35Å; Q420-K423 PolarHBondContact O-N 2.96Å; Q420-M424 WeakPolarHBondContact O-CG 3.39Å; Q420-M424 PolarHBondContact O-N 2.8Å
421Q92.9Very high93.9Very high3 Ų340.6 Ų40.61%0.01421%0.205CC..Hα-helixtrans-62.9-40.7171.7-74.2-163.644.300112.6N413 V415 S417 P418 K423 M424 A425 M535 T537 M540N413-Q421 PolarHBondContact ND2-OE1 3.48Å; V415-Q421 HydrophobicContact CB-CG 3.93Å; V415-Q421 HydrophobicContact CG1-CG 3.94Å; V415-Q421 WeakPolarHBondContact O-CG 3.18Å; V415-Q421 PolarHBondContact O-NE2 3.37Å; S417-Q421 PolarHBondContact O-N 2.76Å; P418-Q421 PolarHBondContact O-N 3.13Å; Q421-K423 VanDerWaalsContact C-N 3.34Å; Q421-K423 PolarHBondContact O-N 2.79Å; Q421-M424 WeakPolarHBondContact O-CB 3.2Å; Q421-M424 PolarHBondContact O-N 2.79Å; Q421-A425 PolarHBondContact O-N 2.78Å; Q421-M535 PolarHBondContact NE2-O 3.34Å; Q421-T537 HydrophobicContact CB-CG2 3.74Å; Q421-T537 HydrophobicContact CG-CG2 4.21Å; Q421-M540 HydrophobicContact CB-CG 4.03Å
422A93.1Very high93.9Very high28 Ų2841.2 Ų41.223%0.23121%0.208CC..Hα-helixtrans-61.5-41.9174.500000111.8P418 A425 E426 E539P418-A422 WeakPolarHBondContact O-CB 3.44Å; P418-A422 PolarHBondContact O-N 2.85Å; A422-A425 WeakPolarHBondContact O-CB 3.48Å; A422-A425 PolarHBondContact O-N 2.85Å; A422-E426 PolarHBondContact O-N 2.86Å; A422-E539 HydrophobicContact CB-CB 4.38Å; A422-E539 HydrophobicContact CB-CG 3.98Å
423K94.4Very high94Very high38 Ų3842.2 Ų42.217%0.16522%0.221CC..Hα-helixtrans-63.5-38.2175-171.7174.5177.5-177.30112.7E371 E372 E373 K419 Q420 Q421 E426 Y427E371-K423 PolarHBondContact O-NZ 3.02Å; E371-K423 VanDerWaalsContact O-NZ 3.08Å; E372-K423 PolarHBondContact O-NZ 3.17Å; E373-K423 VanDerWaalsContact CD-CE 3.47Å; E373-K423 WeakPolarHBondContact OE1-CE 3.39Å; E373-K423 IonicContact OE1-NZ 2.67Å; E373-K423 PolarHBondContact OE1-NZ 2.8Å; E373-K423 WeakPolarHBondContact OE2-CE 3.45Å; E373-K423 IonicContact OE2-NZ 2.67Å; E373-K423 PolarHBondContact OE2-NZ 2.69Å; K419-K423 WeakPolarHBondContact O-CB 3.44Å; K419-K423 PolarHBondContact O-N 3.12Å; K419-K423 VanDerWaalsContact O-N 3.15Å; Q420-K423 WeakPolarHBondContact O-CB 3.35Å; Q420-K423 PolarHBondContact O-N 2.96Å; Q421-K423 VanDerWaalsContact C-N 3.34Å; Q421-K423 PolarHBondContact O-N 2.79Å; K423-E426 PolarHBondContact O-N 2.91Å; K423-Y427 HydrophobicContact CD-CE2 4.42Å; K423-Y427 WeakPolarHBondContact CE-OH 3.4Å; K423-Y427 HydrophobicContact CG-CD2 4.33Å; K423-Y427 HydrophobicContact CG-CE2 3.79Å; K423-Y427 WeakPolarHBondContact O-CD2 3.37Å; K423-Y427 PolarHBondContact O-N 2.85Å
424M95.8Very high94.2Very high0 Ų049.4 Ų49.40%026%0.26CS..Hα-helixtrans-62.1-44170.6-67.4165.562.500112C364 P374 F388 F411 V415 Q420 Q421 Y427 C428 M540C364-M424 HydrophobicContact CB-CE 3.48Å; C364-M424 VanDerWaalsContact CB-CE 3.48Å; C364-M424 HydrophobicContact CB-SD 4.28Å; C364-M424 VanDerWaalsContact SG-CE 3.51Å; P374-M424 HydrophobicContact CB-CG 3.87Å; P374-M424 HydrophobicContact CB-SD 4.25Å; P374-M424 HydrophobicContact CG-CG 3.67Å; P374-M424 HydrophobicContact CG-SD 4.46Å; F388-M424 HydrophobicContact CD1-CB 4.49Å; F388-M424 HydrophobicContact CD1-CG 4.09Å; F388-M424 HydrophobicContact CD2-CE 4.38Å; F388-M424 HydrophobicContact CE1-CB 3.83Å; F388-M424 HydrophobicContact CE1-CG 3.9Å; F388-M424 HydrophobicContact CE2-CE 3.89Å; F388-M424 HydrophobicContact CE2-CG 4.47Å; F388-M424 HydrophobicContact CG-CG 4.46Å; F388-M424 HydrophobicContact CZ-CB 3.99Å; F388-M424 HydrophobicContact CZ-CE 4.12Å; F388-M424 HydrophobicContact CZ-CG 4.11Å; F411-M424 HydrophobicContact CD1-CE 3.84Å; F411-M424 HydrophobicContact CE1-CE 3.75Å; V415-M424 HydrophobicContact CB-SD 4.18Å; V415-M424 HydrophobicContact CG1-SD 4.43Å; V415-M424 HydrophobicContact CG2-SD 3.64Å; Q420-M424 WeakPolarHBondContact O-CG 3.39Å; Q420-M424 PolarHBondContact O-N 2.8Å; Q421-M424 WeakPolarHBondContact O-CB 3.2Å; Q421-M424 PolarHBondContact O-N 2.79Å; M424-Y427 PolarHBondContact O-N 2.86Å; M424-C428 PolarHBondContact O-N 3.27Å; M424-C428 PolarHBondContact O-SG 2.75Å; M424-M540 HydrophobicContact CB-SD 3.97Å; M424-M540 HydrophobicContact CE-CE 4.26Å
425A95.4Very high94.4Very high0 Ų049.8 Ų49.80%027%0.265CS..Hα-helixtrans-65.8-38.4178.100000112Q421 A422 C428 R429 E539 M540 L543Q421-A425 PolarHBondContact O-N 2.78Å; A422-A425 WeakPolarHBondContact O-CB 3.48Å; A422-A425 PolarHBondContact O-N 2.85Å; A425-C428 PolarHBondContact O-N 2.86Å; A425-R429 WeakPolarHBondContact O-CG 3.26Å; A425-R429 PolarHBondContact O-N 3.18Å; A425-E539 HydrophobicContact CB-CB 3.94Å; A425-E539 WeakPolarHBondContact CB-O 3.33Å; A425-M540 HydrophobicContact CB-CG 4.37Å; A425-M540 HydrophobicContact CB-SD 3.66Å; A425-L543 HydrophobicContact CB-CD1 4.09Å
426E96Very high94.7Very high116 Ų11650 Ų5054%0.54227%0.267SS..Hα-helixtrans-61.8-48.5172.5-175.1177.9-170.800111.6A422 K423 C428 R429 L430A422-E426 PolarHBondContact O-N 2.86Å; K423-E426 PolarHBondContact O-N 2.91Å; E426-C428 VanDerWaalsContact C-N 3.34Å; E426-C428 PolarHBondContact O-N 2.91Å; E426-R429 PolarHBondContact O-N 3.06Å; E426-L430 VanDerWaalsContact O-CB 3.3Å; E426-L430 WeakPolarHBondContact O-CB 3.37Å; E426-L430 PolarHBondContact O-N 2.93Å
427Y97.3Very high95.2Very high28 Ų2845.8 Ų45.811%0.1124%0.244CC..Hα-helixtrans-58.7-42.7175.1-72.5-32.1000112.6E373 F388 K389 K423 M424 R429 L430 I431E373-Y427 PolarHBondContact OE1-OH 3.3Å; E373-Y427 PolarHBondContact OE2-OH 3.13Å; E373-Y427 VanDerWaalsContact OE2-OH 3.07Å; F388-Y427 HydrophobicContact CD1-CD2 4.04Å; F388-Y427 HydrophobicContact CE1-CD2 4.34Å; K389-Y427 HydrophobicContact CB-CD2 4.17Å; K389-Y427 HydrophobicContact CB-CE2 3.99Å; K389-Y427 HydrophobicContact CD-CD1 4.34Å; K389-Y427 HydrophobicContact CD-CE1 3.77Å; K389-Y427 HydrophobicContact CD-CE2 4.32Å; K389-Y427 HydrophobicContact CG-CD1 4.27Å; K389-Y427 HydrophobicContact CG-CD2 4.46Å; K389-Y427 HydrophobicContact CG-CE1 4.17Å; K389-Y427 HydrophobicContact CG-CE2 4.33Å; K389-Y427 HydrophobicContact CG-CG 4.44Å; K423-Y427 HydrophobicContact CD-CE2 4.42Å; K423-Y427 WeakPolarHBondContact CE-OH 3.4Å; K423-Y427 HydrophobicContact CG-CD2 4.33Å; K423-Y427 HydrophobicContact CG-CE2 3.79Å; K423-Y427 WeakPolarHBondContact O-CD2 3.37Å; K423-Y427 PolarHBondContact O-N 2.85Å; M424-Y427 PolarHBondContact O-N 2.86Å; Y427-R429 PolarHBondContact O-N 3.49Å; Y427-L430 PolarHBondContact O-N 3.5Å; Y427-I431 HydrophobicContact CD1-CD1 4.25Å; Y427-I431 HydrophobicContact CG-CD1 4.33Å; Y427-I431 VanDerWaalsContact O-CB 3.26Å; Y427-I431 WeakPolarHBondContact O-CB 3.24Å; Y427-I431 WeakPolarHBondContact O-CD1 3.28Å; Y427-I431 VanDerWaalsContact O-CG1 3.28Å; Y427-I431 WeakPolarHBondContact O-CG1 3.42Å; Y427-I431 PolarHBondContact O-N 2.87Å
428C97.6Very high95.3Very high0 Ų048.6 Ų48.60%026%0.255CS..Hα-helixtrans-59.2-47.9175-66.10000111.5M424 A425 E426 F432 L436 L543M424-C428 PolarHBondContact O-N 3.27Å; M424-C428 PolarHBondContact O-SG 2.75Å; A425-C428 PolarHBondContact O-N 2.86Å; E426-C428 VanDerWaalsContact C-N 3.34Å; E426-C428 PolarHBondContact O-N 2.91Å; C428-F432 HydrophobicContact CB-CD2 4.19Å; C428-F432 HydrophobicContact CB-CE2 4.35Å; C428-F432 VanDerWaalsContact O-CB 3.31Å; C428-F432 WeakPolarHBondContact O-CB 3.33Å; C428-F432 WeakPolarHBondContact O-CD2 3.44Å; C428-F432 PolarHBondContact O-N 3.44Å; C428-L436 HydrophobicContact CB-CD2 3.98Å; C428-L543 HydrophobicContact CB-CD1 3.95Å
429R97.1Very high95.5Very high88 Ų8852.2 Ų52.233%0.33227%0.265SS..Hα-helixtrans-63.4-46.9178.8-69.5176.2-170.1105.411.6112.4A425 E426 Y427 G433 L436 M438 E539 L543A425-R429 WeakPolarHBondContact O-CG 3.26Å; A425-R429 PolarHBondContact O-N 3.18Å; E426-R429 PolarHBondContact O-N 3.06Å; Y427-R429 PolarHBondContact O-N 3.49Å; R429-G433 WeakPolarHBondContact O-CA 3.32Å; R429-G433 PolarHBondContact O-N 3.06Å; R429-G433 VanDerWaalsContact O-N 3.07Å; R429-L436 HydrophobicContact CG-CD2 4.12Å; R429-M438 HydrophobicContact CG-SD 3.94Å; R429-E539 PolarHBondContact NH2-O 3.3Å; R429-L543 HydrophobicContact CG-CD2 4.34Å
430L97.1Very high95.7Very high130 Ų13048.5 Ų48.568%0.68125%0.254SS*.Hα-helixtrans-71.7-36.9-173.3-177.264.5000113E426 Y427E426-L430 VanDerWaalsContact O-CB 3.3Å; E426-L430 WeakPolarHBondContact O-CB 3.37Å; E426-L430 PolarHBondContact O-N 2.93Å; Y427-L430 PolarHBondContact O-N 3.5Å
431I97.5Very high95.9Very high42 Ų4250.6 Ų50.622%0.21527%0.266CS..Hα-helixtrans-93.5-37-170.8-58.8162.5000111.7K389 I392 E393 A396 Y427K389-I431 HydrophobicContact CG-CD1 4.16Å; I392-I431 HydrophobicContact CB-CD1 4.23Å; I392-I431 HydrophobicContact CG2-CB 3.77Å; I392-I431 HydrophobicContact CG2-CD1 3.72Å; I392-I431 HydrophobicContact CG2-CG1 4.35Å; I392-I431 HydrophobicContact CG2-CG2 3.86Å; E393-I431 HydrophobicContact CB-CG2 4.45Å; E393-I431 HydrophobicContact CG-CD1 4Å; E393-I431 HydrophobicContact CG-CG1 4.42Å; E393-I431 HydrophobicContact CG-CG2 3.88Å; A396-I431 HydrophobicContact CB-CG2 3.89Å; Y427-I431 HydrophobicContact CD1-CD1 4.25Å; Y427-I431 HydrophobicContact CG-CD1 4.33Å; Y427-I431 VanDerWaalsContact O-CB 3.26Å; Y427-I431 WeakPolarHBondContact O-CB 3.24Å; Y427-I431 WeakPolarHBondContact O-CD1 3.28Å; Y427-I431 VanDerWaalsContact O-CG1 3.28Å; Y427-I431 WeakPolarHBondContact O-CG1 3.42Å; Y427-I431 PolarHBondContact O-N 2.87Å
432F97.8Very high95.9Very high14 Ų1459.9 Ų59.96%0.06131%0.309CS..Hα-helixtrans-84.2-28174.8-60.5-43.7000113I392 I395 A396 L409 C428 D434 A435 L436 I462I392-F432 HydrophobicContact CB-CZ 4.42Å; I392-F432 HydrophobicContact CD1-CE2 3.96Å; I392-F432 HydrophobicContact CD1-CZ 3.71Å; I392-F432 HydrophobicContact CG2-CD1 4.43Å; I392-F432 HydrophobicContact CG2-CD2 4.48Å; I392-F432 HydrophobicContact CG2-CE1 3.91Å; I392-F432 HydrophobicContact CG2-CE2 3.99Å; I392-F432 HydrophobicContact CG2-CZ 3.69Å; I395-F432 HydrophobicContact CB-CE1 4.1Å; I395-F432 HydrophobicContact CB-CZ 4.33Å; I395-F432 HydrophobicContact CG2-CE1 3.71Å; I395-F432 HydrophobicContact CG2-CZ 3.9Å; A396-F432 HydrophobicContact CB-CD1 3.8Å; A396-F432 HydrophobicContact CB-CE1 4.01Å; L409-F432 HydrophobicContact CD1-CE2 3.64Å; L409-F432 HydrophobicContact CD1-CZ 3.71Å; C428-F432 HydrophobicContact CB-CD2 4.19Å; C428-F432 HydrophobicContact CB-CE2 4.35Å; C428-F432 VanDerWaalsContact O-CB 3.31Å; C428-F432 WeakPolarHBondContact O-CB 3.33Å; C428-F432 WeakPolarHBondContact O-CD2 3.44Å; C428-F432 PolarHBondContact O-N 3.44Å; F432-D434 PolarHBondContact O-N 3.44Å; F432-A435 VanDerWaalsContact O-CB 3.32Å; F432-A435 WeakPolarHBondContact O-CB 3.4Å; F432-A435 PolarHBondContact O-N 2.96Å; F432-A435 VanDerWaalsContact O-N 3.09Å; F432-L436 HydrophobicContact CB-CB 3.92Å; F432-L436 HydrophobicContact CD2-CD1 4.34Å; F432-I462 HydrophobicContact CB-CD1 4.32Å; F432-I462 HydrophobicContact CD1-CD1 3.45Å; F432-I462 VanDerWaalsContact CD1-CD1 3.45Å; F432-I462 HydrophobicContact CD2-CD1 4.4Å; F432-I462 HydrophobicContact CD2-CG2 4.41Å; F432-I462 HydrophobicContact CE1-CD1 3.73Å; F432-I462 HydrophobicContact CE2-CG2 4.22Å; F432-I462 HydrophobicContact CG-CD1 3.83Å; F432-I462 HydrophobicContact CZ-CD1 4.3Å; F432-I462 HydrophobicContact CZ-CG2 4.44Å
433G96.7Very high96.1Very high33 Ų3365.1 Ų65.134%0.3433%0.327SS..G310 helixtrans52.2-131.5-178.100000112.2R429 A435 L436R429-G433 WeakPolarHBondContact O-CA 3.32Å; R429-G433 PolarHBondContact O-N 3.06Å; R429-G433 VanDerWaalsContact O-N 3.07Å; G433-A435 PolarHBondContact O-N 2.76Å; G433-L436 WeakPolarHBondContact O-CB 3.43Å; G433-L436 PolarHBondContact O-N 2.97Å
434D95.8Very high96.2Very high151 Ų15164.5 Ų64.581%0.80732%0.323SS*.G310 helixtrans-60.9-14.6-179.3-56.6-35.5000114.5F432 L436 K461F432-D434 PolarHBondContact O-N 3.44Å; D434-L436 VanDerWaalsContact C-N 3.35Å; D434-K461 PolarHBondContact O-NZ 2.84Å
435A97.5Very high96.2Very high24 Ų2466.7 Ų66.720%0.19834%0.338CS..G310 helixtrans-73.6-26.2172.900000112.2F400 F432 G433 L437 K461 I462F400-A435 HydrophobicContact CE2-CB 4.22Å; F432-A435 VanDerWaalsContact O-CB 3.32Å; F432-A435 WeakPolarHBondContact O-CB 3.4Å; F432-A435 PolarHBondContact O-N 2.96Å; F432-A435 VanDerWaalsContact O-N 3.09Å; G433-A435 PolarHBondContact O-N 2.76Å; A435-L437 PolarHBondContact O-N 2.9Å; A435-K461 CarbonylContact O-C 3.58Å; A435-K461 VanDerWaalsContact O-CA 3.31Å; A435-K461 WeakPolarHBondContact O-CA 3.46Å; A435-I462 HydrophobicContact CB-CD1 4.15Å; A435-I462 HydrophobicContact CB-CG1 4.3Å; A435-I462 PolarHBondContact O-N 3.16Å
436L98.2Very high96.2Very high6 Ų669 Ų693%0.03135%0.35CS..BIsolated β-bridgetrans-73.8117177.4-177.559.8000110.4C428 R429 F432 G433 D434 M438 V464 L543C428-L436 HydrophobicContact CB-CD2 3.98Å; R429-L436 HydrophobicContact CG-CD2 4.12Å; F432-L436 HydrophobicContact CB-CB 3.92Å; F432-L436 HydrophobicContact CD2-CD1 4.34Å; G433-L436 WeakPolarHBondContact O-CB 3.43Å; G433-L436 PolarHBondContact O-N 2.97Å; D434-L436 VanDerWaalsContact C-N 3.35Å; L436-M438 HydrophobicContact CD2-CG 4.05Å; L436-M438 HydrophobicContact CD2-SD 4.48Å; L436-M438 HydrophobicContact CG-CG 3.95Å; L436-M438 PolarHBondContact O-N 3.29Å; L436-M438 VanDerWaalsContact O-N 3.12Å; L436-V464 HydrophobicContact CD1-CG2 3.9Å; L436-L543 HydrophobicContact CD2-CD1 4.37Å; L436-L543 HydrophobicContact CD2-CD2 3.96Å
437L97Very high96.2Very high7 Ų769.3 Ų69.34%0.03735%0.351CS..  trans-78.597.5172.8-171.871.1000109.1A435 E439 L441 L458 K461 I462 L463 N545 Y546A435-L437 PolarHBondContact O-N 2.9Å; L437-E439 WeakPolarHBondContact CD1-O 3.36Å; L437-L441 HydrophobicContact CD1-CD2 4.21Å; L437-L458 HydrophobicContact CD2-CD2 3.72Å; L437-K461 HydrophobicContact CB-CB 4.38Å; L437-K461 HydrophobicContact CD1-CD 4.42Å; L437-I462 PolarHBondContact N-O 3.13Å; L437-L463 HydrophobicContact CB-CG 4.37Å; L437-L463 HydrophobicContact CD2-CD2 3.77Å; L437-L463 HydrophobicContact CD2-CG 3.89Å; L437-N545 PolarHBondContact O-ND2 3.09Å; L437-Y546 HydrophobicContact CD2-CD2 3.74Å; L437-Y546 HydrophobicContact CD2-CE2 3.9Å
438M92.1Very high96.1Very high90 Ų9071.5 Ų71.544%0.44337%0.371SS..  trans-84.1-57.3175.6-62.8-175.3-72.600111.1R429 L436 L543 N545R429-M438 HydrophobicContact CG-SD 3.94Å; L436-M438 HydrophobicContact CD2-CG 4.05Å; L436-M438 HydrophobicContact CD2-SD 4.48Å; L436-M438 HydrophobicContact CG-CG 3.95Å; L436-M438 PolarHBondContact O-N 3.29Å; L436-M438 VanDerWaalsContact O-N 3.12Å; M438-L543 HydrophobicContact CG-CD2 4.03Å; M438-L543 HydrophobicContact SD-CD2 4.37Å; M438-N545 PolarHBondContact O-ND2 3.14Å
439E93.7Very high95.9Very high156 Ų15673.1 Ų73.173%0.72939%0.388SS*.SBendtrans-93.5151.3-177-62.6-175.1167.900112.4L437L437-E439 WeakPolarHBondContact CD1-O 3.36Å
440P95.1Very high95.9Very high56 Ų5670.4 Ų70.436%0.36438%0.381SS..PPolyproline II helixtrans-63.5150.9170.9-19.133.1000112.3L446 N545 Y546P440-L446 HydrophobicContact CB-CG 4.26Å; P440-L446 HydrophobicContact CG-CD1 3.79Å; P440-L446 HydrophobicContact CG-CD2 4.42Å; P440-L446 HydrophobicContact CG-CG 3.75Å; P440-N545 HydrophobicContact CG-CB 4.42Å; P440-Y546 WeakPolarHBondContact CA-OH 3.3Å; P440-Y546 HydrophobicContact CB-CE2 4.45Å; P440-Y546 WeakPolarHBondContact CB-OH 3.35Å
441L95.6Very high95.9Very high53 Ų5366.7 Ų66.728%0.27736%0.364SS..PPolyproline II helixtrans-71.1137169.3-54.2179.7000109.9L437 K443 Y444 P453 E457 L458 Y546L437-L441 HydrophobicContact CD1-CD2 4.21Å; L441-K443 PolarHBondContact O-N 2.9Å; L441-K443 VanDerWaalsContact O-N 3.1Å; L441-Y444 HydrophobicContact CB-CD2 4.39Å; L441-Y444 HydrophobicContact CD1-CD2 4.37Å; L441-Y444 CarbonylContact O-C 3.48Å; L441-Y444 VanDerWaalsContact O-C 3.3Å; L441-Y444 PolarHBondContact O-N 3.48Å; L441-P453 HydrophobicContact CD1-CB 4.1Å; L441-P453 HydrophobicContact CD1-CG 4.21Å; L441-E457 HydrophobicContact CD1-CB 4.46Å; L441-L458 HydrophobicContact CD1-CD2 4.06Å; L441-Y546 PolarHBondContact N-OH 3.32Å; L441-Y546 PolarHBondContact O-OH 2.93Å
442E94.4Very high95.9Very high198 Ų19864.8 Ų64.893%0.92535%0.354SS*.THydrogen-bonded Turntrans-52.8-36.3-177.6-60.5179.9163.800113.9Y444E442-Y444 PolarHBondContact O-N 3.27Å
443K95.3Very high96Very high138 Ų13864.1 Ų64.160%0.635%0.351SS*.THydrogen-bonded Turntrans-67.6-20.9178-179.4179.5169.1-161.30113.5L441 E457L441-K443 PolarHBondContact O-N 2.9Å; L441-K443 VanDerWaalsContact O-N 3.1Å; K443-E457 IonicContact NZ-OE1 3.4Å; K443-E457 PolarHBondContact NZ-OE1 3.09Å
444Y96.8Very high96Very high24 Ų2462.6 Ų62.69%0.09434%0.336CS..SBendtrans-133.767.3-171.8-60.5-78.4000110.9L441 E442 V450 P451 P453 E457 Y546L441-Y444 HydrophobicContact CB-CD2 4.39Å; L441-Y444 HydrophobicContact CD1-CD2 4.37Å; L441-Y444 CarbonylContact O-C 3.48Å; L441-Y444 VanDerWaalsContact O-C 3.3Å; L441-Y444 PolarHBondContact O-N 3.48Å; E442-Y444 PolarHBondContact O-N 3.27Å; Y444-V450 HydrophobicContact CD1-CG1 4.33Å; Y444-P451 HydrophobicContact CD1-CG 4.48Å; Y444-P451 VanDerWaalsContact CD1-O 3.31Å; Y444-P451 WeakPolarHBondContact CD1-O 3.26Å; Y444-P451 HydrophobicContact CE1-CG 4.23Å; Y444-P453 HydrophobicContact CD1-CG 4.47Å; Y444-P453 HydrophobicContact CD2-CB 3.74Å; Y444-P453 HydrophobicContact CD2-CG 3.74Å; Y444-P453 HydrophobicContact CE2-CB 3.86Å; Y444-P453 HydrophobicContact CE2-CG 4.36Å; Y444-P453 HydrophobicContact CG-CB 4.19Å; Y444-P453 HydrophobicContact CG-CG 3.8Å; Y444-E457 WeakPolarHBondContact CE2-OE1 3.34Å; Y444-E457 PolarHBondContact OH-OE1 3.27Å; Y444-E457 PolarHBondContact OH-OE2 3.23Å; Y444-Y546 WeakPolarHBondContact CB-OH 3.19Å; Y444-Y546 VanDerWaalsContact O-CE1 3.26Å; Y444-Y546 WeakPolarHBondContact O-CE1 3.38Å; Y444-Y546 PolarHBondContact O-OH 2.96Å
445P97.1Very high96.1Very high47 Ų4755.4 Ų55.431%0.30530%0.297SS..  trans-63.5156.6175.528.3-35000111.5E447 V450P445-E447 HydrophobicContact CB-CG 4.21Å; P445-E447 HydrophobicContact CG-CG 4.44Å; P445-E447 PolarHBondContact O-N 3.23Å; P445-V450 HydrophobicContact CG-CG2 4.32Å; P445-V450 WeakPolarHBondContact O-CG1 3.34Å
446L95.8Very high96.1Very high48 Ų4859.2 Ų59.225%0.25131%0.312SS..SBendtrans-79.758.9-177.8-58.8-179.8000112P440 N545 Y546 F565P440-L446 HydrophobicContact CB-CG 4.26Å; P440-L446 HydrophobicContact CG-CD1 3.79Å; P440-L446 HydrophobicContact CG-CD2 4.42Å; P440-L446 HydrophobicContact CG-CG 3.75Å; L446-N545 HydrophobicContact CD1-CB 4.2Å; L446-Y546 HydrophobicContact CD2-CD1 3.75Å; L446-Y546 HydrophobicContact CD2-CE1 3.74Å; L446-Y546 HydrophobicContact CD2-CG 4.47Å; L446-F565 HydrophobicContact CB-CD1 4.15Å; L446-F565 HydrophobicContact CB-CE1 4.02Å; L446-F565 HydrophobicContact CB-CE2 4.46Å; L446-F565 HydrophobicContact CB-CG 4.44Å; L446-F565 HydrophobicContact CB-CZ 4.17Å; L446-F565 HydrophobicContact CD2-CB 3.92Å; L446-F565 HydrophobicContact CD2-CD1 4.17Å; L446-F565 HydrophobicContact CD2-CD2 4.41Å; L446-F565 HydrophobicContact CD2-CG 3.93Å; L446-F565 VanDerWaalsContact O-CE1 3.26Å; L446-F565 WeakPolarHBondContact O-CE1 3.32Å; L446-F565 WeakPolarHBondContact O-CZ 3.49Å
447E95.6Very high96.1Very high122 Ų12262.3 Ų62.357%0.5733%0.326SS*.  trans-114.2173.3-175.3-67.9-177.9-16900112.5P445 V450P445-E447 HydrophobicContact CB-CG 4.21Å; P445-E447 HydrophobicContact CG-CG 4.44Å; P445-E447 PolarHBondContact O-N 3.23Å; E447-V450 HydrophobicContact CB-CG2 3.93Å
448S95Very high96.2Very high75 Ų7562 Ų6252%0.52433%0.325SS..THydrogen-bonded Turntrans-77.5136.6178.9-1730000111.2V450 R561 N562S448-V450 PolarHBondContact O-N 3.02Å; S448-R561 PolarHBondContact OG-O 3.4Å; S448-N562 CarbonylContact C-O 3.57Å; S448-N562 WeakPolarHBondContact CA-O 3.44Å; S448-N562 PolarHBondContact OG-O 3.36Å
449G93.1Very high96.4Very high34 Ų3461 Ų6135%0.35132%0.32SS..THydrogen-bonded Turntrans77.9-6.4-178.300000115.6N562G449-N562 VanDerWaalsContact CA-ND2 3.34Å; G449-N562 WeakPolarHBondContact CA-ND2 3.2Å; G449-N562 PolarHBondContact N-ND2 3.3Å; G449-N562 PolarHBondContact N-O 2.56Å
450V97.3Very high96.7Very high31 Ų3160 Ų6019%0.18831%0.311CS..PPolyproline II helixtrans-78124.3174.5-178.30000109.2Y444 P445 E447 S448 S564Y444-V450 HydrophobicContact CD1-CG1 4.33Å; P445-V450 HydrophobicContact CG-CG2 4.32Å; P445-V450 WeakPolarHBondContact O-CG1 3.34Å; E447-V450 HydrophobicContact CB-CG2 3.93Å; S448-V450 PolarHBondContact O-N 3.02Å; V450-S564 VanDerWaalsContact O-CB 3.31Å; V450-S564 WeakPolarHBondContact O-CB 3.47Å; V450-S564 PolarHBondContact O-OG 3.47Å
451P96.7Very high96.8Very high52 Ų5260.5 Ų60.534%0.33831%0.307SS..PPolyproline II helixtrans-73164.9179.731.3-36000111.9P321 Y444P321-P451 HydrophobicContact CB-CB 4.41Å; P321-P451 HydrophobicContact CG-CB 4.07Å; Y444-P451 HydrophobicContact CD1-CG 4.48Å; Y444-P451 VanDerWaalsContact CD1-O 3.31Å; Y444-P451 WeakPolarHBondContact CD1-O 3.26Å; Y444-P451 HydrophobicContact CE1-CG 4.23Å
452L98.1Very high97Very high1 Ų158 Ų581%0.00529%0.294CS..PPolyproline II helixtrans-64.3146.9170-69.4171000111.3P321 L322 Y546 S564 L594P321-L452 WeakPolarHBondContact CA-O 3.48Å; P321-L452 HydrophobicContact CB-CB 4.48Å; P321-L452 WeakPolarHBondContact CB-O 3.28Å; L322-L452 HydrophobicContact CB-CB 3.94Å; L322-L452 HydrophobicContact CB-CD1 4.06Å; L452-Y546 HydrophobicContact CD2-CD1 4.12Å; L452-Y546 HydrophobicContact CD2-CG 4.43Å; L452-Y546 WeakPolarHBondContact CD2-O 3.16Å; L452-S564 WeakPolarHBondContact CD2-O 3.38Å; L452-L594 HydrophobicContact CD1-CD1 3.95Å; L452-L594 HydrophobicContact CD1-CD2 4.23Å; L452-L594 HydrophobicContact CD1-CG 3.74Å
453P98.2Very high97.2Very high0 Ų048.6 Ų48.60%025%0.25CC..PPolyproline II helixtrans-58.7161.7168-16.927.5000112.1L322 L441 Y444 L458 Y546L322-P453 WeakPolarHBondContact CB-O 3.47Å; L322-P453 PolarHBondContact N-O 3Å; L441-P453 HydrophobicContact CD1-CB 4.1Å; L441-P453 HydrophobicContact CD1-CG 4.21Å; Y444-P453 HydrophobicContact CD1-CG 4.47Å; Y444-P453 HydrophobicContact CD2-CB 3.74Å; Y444-P453 HydrophobicContact CD2-CG 3.74Å; Y444-P453 HydrophobicContact CE2-CB 3.86Å; Y444-P453 HydrophobicContact CE2-CG 4.36Å; Y444-P453 HydrophobicContact CG-CB 4.19Å; Y444-P453 HydrophobicContact CG-CG 3.8Å; P453-L458 HydrophobicContact CB-CD1 3.91Å; P453-L458 HydrophobicContact CB-CD2 4.32Å; P453-L458 HydrophobicContact CB-CG 3.92Å; P453-L458 HydrophobicContact CG-CD1 4.32Å; P453-Y546 HydrophobicContact CG-CD1 4.06Å; P453-Y546 HydrophobicContact CG-CD2 4.13Å; P453-Y546 HydrophobicContact CG-CE1 3.72Å; P453-Y546 HydrophobicContact CG-CE2 3.78Å; P453-Y546 HydrophobicContact CG-CG 4.25Å
454S98.4Very high97.3Very high2 Ų242 Ų421%0.01422%0.221CC..PPolyproline II helixtrans-80.3157.2176.766.80000113.9S319 Q320 M456 E457 L458S319-S454 VanDerWaalsContact C-CB 3.42Å; S319-S454 WeakPolarHBondContact O-CB 3.38Å; Q320-S454 WeakPolarHBondContact O-CA 3.26Å; Q320-S454 WeakPolarHBondContact O-CB 3.46Å; S454-M456 PolarHBondContact O-N 3.31Å; S454-E457 VanDerWaalsContact CB-OE2 3.29Å; S454-E457 WeakPolarHBondContact CB-OE2 3.27Å; S454-E457 PolarHBondContact N-OE2 3.29Å; S454-E457 PolarHBondContact O-N 3.17Å; S454-E457 VanDerWaalsContact OG-CD 3.29Å; S454-E457 VanDerWaalsContact OG-CG 3.3Å; S454-E457 WeakPolarHBondContact OG-CG 3.25Å; S454-E457 PolarHBondContact OG-N 3.45Å; S454-E457 VanDerWaalsContact OG-N 3.11Å; S454-E457 PolarHBondContact OG-OE2 3.35Å; S454-L458 WeakPolarHBondContact O-CB 3.36Å; S454-L458 WeakPolarHBondContact O-CG 3.3Å; S454-L458 PolarHBondContact O-N 3.06Å; S454-L458 VanDerWaalsContact O-N 3.12Å
455P98.3Very high97.3Very high0 Ų041.3 Ų41.30%022%0.219CC..THydrogen-bonded Turntrans-54.4-32.6168.4-25.934.6000113.3M318 Q320 L322 Y325 F405 P406 L458 M459 Y648M318-P455 HydrophobicContact CE-CB 3.85Å; M318-P455 HydrophobicContact CE-CG 4.33Å; M318-P455 WeakPolarHBondContact O-CD 3.26Å; Q320-P455 VanDerWaalsContact O-CD 3.24Å; Q320-P455 WeakPolarHBondContact O-CD 3.01Å; L322-P455 HydrophobicContact CD1-CG 4.1Å; Y325-P455 HydrophobicContact CD2-CG 3.67Å; Y325-P455 HydrophobicContact CE1-CG 4.44Å; Y325-P455 VanDerWaalsContact CE2-CD 3.44Å; Y325-P455 HydrophobicContact CE2-CG 3.47Å; Y325-P455 VanDerWaalsContact CE2-CG 3.47Å; Y325-P455 HydrophobicContact CG-CG 4.27Å; F405-P455 HydrophobicContact CD1-CB 3.85Å; F405-P455 HydrophobicContact CE1-CB 4.45Å; P406-P455 WeakPolarHBondContact CD-O 3.2Å; P406-P455 HydrophobicContact CG-CB 4.49Å; P455-L458 CarbonylContact O-C 3.6Å; P455-L458 PolarHBondContact O-N 2.69Å; P455-M459 PolarHBondContact O-N 2.6Å; P455-Y648 HydrophobicContact CG-CD1 4.17Å; P455-Y648 HydrophobicContact CG-CE1 4.36Å
456M97.3Very high97.2Very high104 Ų10439.1 Ų39.151%0.51220%0.204SC..THydrogen-bonded Turntrans-69.9-39.6177.3-169.4173.8-166.100112.9M318 S454 L458 M459M318-M456 HydrophobicContact CB-CB 4.29Å; M318-M456 VanDerWaalsContact O-CB 3.25Å; M318-M456 WeakPolarHBondContact O-CB 3.21Å; M318-M456 PolarHBondContact O-N 3.21Å; M318-M456 VanDerWaalsContact O-N 3.12Å; S454-M456 PolarHBondContact O-N 3.31Å; M456-L458 PolarHBondContact O-N 3.48Å; M456-M459 HydrophobicContact CG-CE 4.02Å; M456-M459 WeakPolarHBondContact O-CE 3.45Å; M456-M459 WeakPolarHBondContact O-CG 3.47Å; M456-M459 PolarHBondContact O-N 3.17Å
457E97.8Very high96.9Very high70 Ų7040.2 Ų40.233%0.32721%0.207SC..THydrogen-bonded Turntrans-75-16.4175.9-69.4159.9127.500113L441 K443 Y444 S454L441-E457 HydrophobicContact CD1-CB 4.46Å; K443-E457 IonicContact NZ-OE1 3.4Å; K443-E457 PolarHBondContact NZ-OE1 3.09Å; Y444-E457 WeakPolarHBondContact CE2-OE1 3.34Å; Y444-E457 PolarHBondContact OH-OE1 3.27Å; Y444-E457 PolarHBondContact OH-OE2 3.23Å; S454-E457 VanDerWaalsContact CB-OE2 3.29Å; S454-E457 WeakPolarHBondContact CB-OE2 3.27Å; S454-E457 PolarHBondContact N-OE2 3.29Å; S454-E457 PolarHBondContact O-N 3.17Å; S454-E457 VanDerWaalsContact OG-CD 3.29Å; S454-E457 VanDerWaalsContact OG-CG 3.3Å; S454-E457 WeakPolarHBondContact OG-CG 3.25Å; S454-E457 PolarHBondContact OG-N 3.45Å; S454-E457 VanDerWaalsContact OG-N 3.11Å; S454-E457 PolarHBondContact OG-OE2 3.35Å
458L98.1Very high96.4Very high0 Ų037.9 Ų37.90%020%0.195CC..THydrogen-bonded Turntrans-105.216.7177.7-67175.3000113.1P406 L437 L441 P453 S454 P455 M456 Y460 K461 L463P406-L458 HydrophobicContact CB-CB 3.91Å; P406-L458 WeakPolarHBondContact CB-O 3.33Å; P406-L458 WeakPolarHBondContact CD-O 3.49Å; P406-L458 HydrophobicContact CG-CB 3.67Å; L437-L458 HydrophobicContact CD2-CD2 3.72Å; L441-L458 HydrophobicContact CD1-CD2 4.06Å; P453-L458 HydrophobicContact CB-CD1 3.91Å; P453-L458 HydrophobicContact CB-CD2 4.32Å; P453-L458 HydrophobicContact CB-CG 3.92Å; P453-L458 HydrophobicContact CG-CD1 4.32Å; S454-L458 WeakPolarHBondContact O-CB 3.36Å; S454-L458 WeakPolarHBondContact O-CG 3.3Å; S454-L458 PolarHBondContact O-N 3.06Å; S454-L458 VanDerWaalsContact O-N 3.12Å; P455-L458 CarbonylContact O-C 3.6Å; P455-L458 PolarHBondContact O-N 2.69Å; M456-L458 PolarHBondContact O-N 3.48Å; L458-Y460 PolarHBondContact O-N 3.12Å; L458-K461 WeakPolarHBondContact O-CB 3.33Å; L458-K461 PolarHBondContact O-N 3.48Å; L458-K461 VanDerWaalsContact O-N 3.1Å; L458-L463 HydrophobicContact CD1-CD1 4.49Å; L458-L463 HydrophobicContact CD1-CD2 4.26Å
459M97.9Very high95.7Very high69 Ų6939.6 Ų39.634%0.3419%0.193SC..THydrogen-bonded Turntrans-55.8139.6175.2-75.6-172.5-62.600111.6P404 F405 P455 M456 K461P404-M459 CarbonylContact O-C 3.52Å; P404-M459 WeakPolarHBondContact O-CA 3.46Å; F405-M459 HydrophobicContact CD1-CG 4.09Å; F405-M459 HydrophobicContact CE1-CG 4.1Å; F405-M459 HydrophobicContact CE1-SD 4.24Å; P455-M459 PolarHBondContact O-N 2.6Å; M456-M459 HydrophobicContact CG-CE 4.02Å; M456-M459 WeakPolarHBondContact O-CE 3.45Å; M456-M459 WeakPolarHBondContact O-CG 3.47Å; M456-M459 PolarHBondContact O-N 3.17Å; M459-K461 PolarHBondContact O-N 2.78Å
460Y98.3Very high93.9Very high137 Ų13743 Ų4354%0.53721%0.212SC..THydrogen-bonded Turntrans58.918.8-175.3-50.4-76.6000115.1F400 P404 L458F400-Y460 HydrophobicContact CB-CD1 3.82Å; F400-Y460 HydrophobicContact CB-CE1 4.09Å; F400-Y460 HydrophobicContact CD1-CD1 4.19Å; F400-Y460 HydrophobicContact CD2-CD1 4.14Å; F400-Y460 WeakPolarHBondContact CE2-O 3.2Å; F400-Y460 AromaticContact CG-CD1 3.78Å; F400-Y460 HydrophobicContact CG-CD1 3.78Å; F400-Y460 WeakPolarHBondContact CZ-O 3.41Å; P404-Y460 HydrophobicContact CB-CD1 4.42Å; P404-Y460 HydrophobicContact CB-CE1 3.71Å; P404-Y460 HydrophobicContact CB-CE2 4.11Å; P404-Y460 PolarHBondContact O-N 3.08Å; L458-Y460 PolarHBondContact O-N 3.12Å
461K98.5Very high91.2Very high65 Ų6549 Ų4928%0.28324%0.237SC..  trans-103.2146.7176.3-61-62.4179.3174.90114.1P406 I407 D434 A435 L437 L458 M459 L463P406-K461 WeakPolarHBondContact CA-O 3.44Å; P406-K461 WeakPolarHBondContact CB-O 3.47Å; I407-K461 PolarHBondContact N-O 2.58Å; D434-K461 PolarHBondContact O-NZ 2.84Å; A435-K461 CarbonylContact O-C 3.58Å; A435-K461 VanDerWaalsContact O-CA 3.31Å; A435-K461 WeakPolarHBondContact O-CA 3.46Å; L437-K461 HydrophobicContact CB-CB 4.38Å; L437-K461 HydrophobicContact CD1-CD 4.42Å; L458-K461 WeakPolarHBondContact O-CB 3.33Å; L458-K461 PolarHBondContact O-N 3.48Å; L458-K461 VanDerWaalsContact O-N 3.1Å; M459-K461 PolarHBondContact O-N 2.78Å; K461-L463 HydrophobicContact CB-CD1 4.39Å
462I98.7Very high88.2Confident1 Ų155.6 Ų55.61%0.00526%0.261CS..EExtended strand (participates in β ladder)trans-116.6124.9176.3-57.9179.1000107.1F400 I407 L409 F432 A435 L437F400-I462 HydrophobicContact CE2-CD1 4.31Å; F400-I462 HydrophobicContact CE2-CG1 4.13Å; F400-I462 HydrophobicContact CZ-CD1 4.4Å; F400-I462 HydrophobicContact CZ-CG1 3.78Å; I407-I462 WeakPolarHBondContact O-CA 3.09Å; L409-I462 HydrophobicContact CD1-CG2 3.55Å; L409-I462 HydrophobicContact CD2-CG2 4.37Å; L409-I462 HydrophobicContact CG-CG2 3.71Å; F432-I462 HydrophobicContact CB-CD1 4.32Å; F432-I462 HydrophobicContact CD1-CD1 3.45Å; F432-I462 VanDerWaalsContact CD1-CD1 3.45Å; F432-I462 HydrophobicContact CD2-CD1 4.4Å; F432-I462 HydrophobicContact CD2-CG2 4.41Å; F432-I462 HydrophobicContact CE1-CD1 3.73Å; F432-I462 HydrophobicContact CE2-CG2 4.22Å; F432-I462 HydrophobicContact CG-CD1 3.83Å; F432-I462 HydrophobicContact CZ-CD1 4.3Å; F432-I462 HydrophobicContact CZ-CG2 4.44Å; A435-I462 HydrophobicContact CB-CD1 4.15Å; A435-I462 HydrophobicContact CB-CG1 4.3Å; A435-I462 PolarHBondContact O-N 3.16Å; L437-I462 PolarHBondContact N-O 3.13Å
463L98.4Very high84.9Confident0 Ų061.1 Ų61.10%030%0.299CS..EExtended strand (participates in β ladder)trans-114.6136.4-177.1-6389.2000110.2P406 I407 L408 L409 L437 L458 K461 Y546 I547P406-L463 HydrophobicContact CB-CD1 3.78Å; I407-L463 PolarHBondContact O-N 3.18Å; L408-L463 HydrophobicContact CD2-CB 4.04Å; L408-L463 HydrophobicContact CD2-CD1 4.14Å; L408-L463 HydrophobicContact CD2-CG 4.49Å; L409-L463 PolarHBondContact N-O 2.99Å; L437-L463 HydrophobicContact CB-CG 4.37Å; L437-L463 HydrophobicContact CD2-CD2 3.77Å; L437-L463 HydrophobicContact CD2-CG 3.89Å; L458-L463 HydrophobicContact CD1-CD1 4.49Å; L458-L463 HydrophobicContact CD1-CD2 4.26Å; K461-L463 HydrophobicContact CB-CD1 4.39Å; L463-Y546 HydrophobicContact CD2-CD2 4.2Å; L463-I547 HydrophobicContact CB-CG1 3.98Å; L463-I547 HydrophobicContact CD2-CD1 4.22Å; L463-I547 HydrophobicContact CD2-CG1 3.99Å
464V97.9Very high81.7Confident0 Ų066.8 Ų66.80%034%0.339CS..EExtended strand (participates in β ladder)trans-99.2120.3-178.41760000110.8F411 L436 N466 L543 V544F411-V464 HydrophobicContact CD2-CG1 3.78Å; F411-V464 HydrophobicContact CE2-CG1 3.8Å; F411-V464 HydrophobicContact CE2-CG2 4.19Å; L436-V464 HydrophobicContact CD1-CG2 3.9Å; V464-N466 HydrophobicContact CG1-CB 4Å; V464-L543 HydrophobicContact CB-CB 4.27Å; V464-L543 HydrophobicContact CG1-CB 4.47Å; V464-L543 HydrophobicContact CG2-CB 4.25Å; V464-V544 HydrophobicContact CG1-CG2 4.27Å
465K97.2Very high78.5Confident9 Ų975.9 Ų75.94%0.03938%0.381CS..EExtended strand (participates in β ladder)trans-93.1108.3163.7169.1-106168.7-1610107.9L409 S410 F411 E533 I547 P549 M567L409-K465 WeakPolarHBondContact O-CB 3.31Å; L409-K465 PolarHBondContact O-N 3.17Å; S410-K465 WeakPolarHBondContact OG-CD 3.29Å; S410-K465 PolarHBondContact OG-NZ 2.79Å; F411-K465 WeakPolarHBondContact CB-O 3.33Å; F411-K465 PolarHBondContact N-O 3.15Å; F411-K465 PolarHBondContact O-NZ 3.4Å; K465-E533 IonicContact NZ-OE1 2.64Å; K465-I547 HydrophobicContact CB-CB 4.28Å; K465-I547 HydrophobicContact CB-CG2 3.78Å; K465-I547 HydrophobicContact CG-CG2 4.25Å; K465-P549 HydrophobicContact CG-CB 4.24Å; K465-P549 HydrophobicContact CG-CG 4.12Å; K465-M567 HydrophobicContact CG-SD 4.28Å
466N94.1Very high75.3Confident1 Ų179.6 Ų79.61%0.00542%0.419CS..  trans-152.1160172.6-168.3-2.8000108.1F411 V464 M540 V544 P549F411-N466 HydrophobicContact CB-CB 4.15Å; V464-N466 HydrophobicContact CG1-CB 4Å; N466-M540 VanDerWaalsContact ND2-CE 3.3Å; N466-M540 WeakPolarHBondContact ND2-CE 3.43Å; N466-V544 HydrophobicContact CB-CG2 3.95Å; N466-V544 WeakPolarHBondContact O-CG2 3.28Å; N466-P549 VanDerWaalsContact C-CG 3.42Å; N466-P549 WeakPolarHBondContact O-CD 3.3Å; N466-P549 VanDerWaalsContact O-CG 3.27Å; N466-P549 WeakPolarHBondContact O-CG 3.4Å
467K89.7Confident72.1Confident71 Ų7180.6 Ų80.631%0.30944%0.437SS..  trans-54.5140.5173.9-78.1168.9171.5167.80110.9E533 A534 A536K467-E533 HydrophobicContact CD-CB 4.42Å; K467-E533 VanDerWaalsContact CD-OE2 3.3Å; K467-E533 WeakPolarHBondContact CD-OE2 3.43Å; K467-E533 WeakPolarHBondContact CE-OE2 3.45Å; K467-E533 PolarHBondContact NZ-O 3.09Å; K467-E533 IonicContact NZ-OE2 2.68Å; K467-E533 PolarHBondContact NZ-OE2 3.44Å; K467-A534 VanDerWaalsContact CD-O 3.31Å; K467-A534 WeakPolarHBondContact CD-O 3.4Å; K467-A534 PolarHBondContact NZ-O 3.24Å; K467-A536 HydrophobicContact CB-CB 4.04Å; K467-A536 WeakPolarHBondContact O-CB 3.41Å
468K86.3Confident69Low74 Ų7480.5 Ų80.532%0.32245%0.454SS..  trans-119.8131.2178.1-167.3176.3-171.9170.60110.5V544 Q548K468-V544 HydrophobicContact CB-CB 4.35Å; K468-V544 HydrophobicContact CB-CG1 4.28Å; K468-V544 HydrophobicContact CD-CB 4.21Å; K468-V544 HydrophobicContact CD-CG1 4.33Å; K468-V544 WeakPolarHBondContact CE-O 3.23Å; K468-V544 HydrophobicContact CG-CB 4.46Å; K468-V544 PolarHBondContact NZ-O 3.21Å; K468-Q548 HydrophobicContact CB-CG 4.03Å; K468-Q548 HydrophobicContact CD-CG 4.41Å
469K78.8Confident66Low110 Ų11090.4 Ų90.448%0.47850%0.497SS..  trans-68131.8169.8-84.2170.2166.5145.90110.5A536 S541K469-A536 WeakPolarHBondContact CE-O 3.4Å; K469-A536 PolarHBondContact NZ-O 3.28Å; K469-S541 PolarHBondContact N-OG 3.31Å; K469-S541 VanDerWaalsContact N-OG 3.09Å
470S55.3Low62.9Low106 Ų10697.4 Ų97.474%0.74153%0.526SS*.  trans-79120169.949.50000110.3K472S470-K472 PolarHBondContact O-N 2.81Å
471H41.4Very low59.7Low157 Ų157100.2 Ų100.273%0.72754%0.541SS*.  trans-66.7102.6164.5-76.1-88.8000108.7S473H471-S473 PolarHBondContact O-N 2.7Å
472K33.2Very low56.4Low191 Ų191105 Ų10583%0.8357%0.569SS**  trans-67.6115.5156.4-71.4-172.5176.1-175.80106.9S470 S474S470-K472 PolarHBondContact O-N 2.81Å; K472-S474 PolarHBondContact O-N 2.74Å; K472-S474 VanDerWaalsContact O-N 3.14Å
473S29.7Very low53.1Low117 Ų117109.2 Ų109.282%0.81860%0.598SS**  trans-56.2115.6173.734.60000109.5H471 E475H471-S473 PolarHBondContact O-N 2.7Å; S473-E475 PolarHBondContact O-N 3.35Å; S473-E475 VanDerWaalsContact O-N 3.15Å
474S30Very low49.8Very low119 Ų119117.5 Ų117.583%0.83264%0.637SS**  trans-88.479.2-171.464.30000111.7K472K472-S474 PolarHBondContact O-N 2.74Å; K472-S474 VanDerWaalsContact O-N 3.14Å
475E32.1Very low46.5Very low193 Ų193125.4 Ų125.490%0.90267%0.674SS**  trans-119.7135.2158.4-68.2-159.8127.700109.1S473S473-E475 PolarHBondContact O-N 3.35Å; S473-E475 VanDerWaalsContact O-N 3.15Å
476G31.3Very low43.2Very low77 Ų77129.3 Ų129.379%0.79471%0.707SS**SBendtrans110.899.8173.100000116.9
477S30.6Very low40Very low126 Ų126134.1 Ų134.188%0.88174%0.741SS**  trans66.485.5149.4-153.20000121.1
478G31.8Very low36.9Very low67 Ų67137.4 Ų137.469%0.69176%0.762SS**  62.194.4103.100000121.3
479K35Very low34.1Very low209 Ų209139.6 Ų139.691%0.90978%0.782SS**  trans52.1112.6138.8-61176.2-179.8174.10119.7
480K32.1Very low31.5Very low216 Ų216140.4 Ų140.494%0.93980%0.8SS**  -151.7145.6111.3-110.1168.8-175177.90111.1
481K31.7Very low30.1Very low196 Ų196140.4 Ų140.485%0.85280%0.8SS**  trans-101.7169.7173.2-93.7-169.7173.7-171.80109.7
482L29.4Very low29.3Very low166 Ų166139.6 Ų139.687%0.86980%0.801SS**  trans103.5136.5171.8-60.8164.7000113.6
483S29.1Very low28.9Very low89 Ų89134.8 Ų134.862%0.62279%0.791SS**  cis-177.2125.5-30.3380000109.5
484E30.2Very low28.9Very low174 Ų174134 Ų13481%0.81379%0.786SS**  trans61.9155150.7-64-167.710400122.7
485Q27.6Very low28.7Very low166 Ų166133.3 Ų133.378%0.77678%0.781SS**  trans65.883.6154.5-72170.13700120.8
486A28Very low28.4Very low90 Ų90133.2 Ų133.274%0.74478%0.783SS**  54.4131.5105.300000122.4
487S26.8Very low28.1Very low103 Ų103138.8 Ų138.872%0.7279%0.786SS**  trans88.2120.2143.973.90000121.3
488N25.5Very low28Very low140 Ų140141.3 Ų141.375%0.74978%0.784SS**  trans83.5112.1135.1-66.55.5000122.8
489T26Very low28.5Very low119 Ų119142.6 Ų142.673%0.7378%0.78SS**  trans69.4126.6130.158.40000121.3
490C25.2Very low27.9Very low128 Ų128137.7 Ų137.787%0.86577%0.772SS**  trans43.8142.5139.6-550000120.1
491S26.5Very low27.8Very low105 Ų105133.2 Ų133.273%0.73477%0.767SS**  cis-159.7161.333.156.10000114.4
492D24.7Very low28.2Very low141 Ų141129.9 Ų129.975%0.75477%0.766SS**  trans-0.9128.2130.9-167.220.5000114.5
493S24.4Very low28.1Very low89 Ų89125.8 Ų125.862%0.62276%0.763SS**  -172.1-179.153.3-151.70000116.1
494S28.6Very low28Very low101 Ų101126.4 Ų126.471%0.70677%0.774SS**  trans-13.7154.7153.355.80000119.3
495S27.3Very low27.8Very low104 Ų104121.8 Ų121.873%0.72777%0.773SS**  cis-171.9169.1-3.648.60000110.4
496M25.1Very low27.9Very low191 Ų191123.3 Ų123.394%0.94178%0.78SS**  trans-164.5147139.6-116177.3179.900113.3
497F25.6Very low28Very low194 Ų194123.8 Ų123.885%0.85178%0.784SS**  trans-97.6153.8171.3-83.7-104.8000110.8
498E26.7Very low28Very low180 Ų180125.9 Ų125.984%0.84179%0.788SS**  -177.7159.8127.4-94-74.698.300108.9
499P43.6Very low28.2Very low94 Ų94126 Ų12661%0.6179%0.793SS**  trans-126.4-177.7-146.443.1-31.9000116.4
500S23Very low28.3Very low106 Ų106129.5 Ų129.574%0.74180%0.801SS**  trans127.3108141.6-57.10000116.1
501S29Very low28.4Very low121 Ų121128.1 Ų128.185%0.84679%0.794SS**  -178155.3126.9-80.50000111.4
502P40.7Very low28.7Very low127 Ų127131.1 Ų131.183%0.82580%0.801SS**  trans-112.4131.9-155.837.8-29000117.6
503G26Very low29.1Very low79 Ų79131.8 Ų131.881%0.81481%0.805SS**  70.2126.2119.600000122.5
504A27.9Very low29.5Very low103 Ų103135.4 Ų135.485%0.85182%0.817SS**  trans-175.7116.9133.300000112.9
505G26.5Very low29.7Very low77 Ų77138.6 Ų138.679%0.79483%0.826SS**  trans71.2153.8166.300000116.8
506E28.7Very low30.2Very low197 Ų197141 Ų14192%0.92183%0.831SS**  cis-136.1171.1-13-69.7-167.3128.700109.1
507A30.2Very low30.7Very low100 Ų100137.6 Ų137.683%0.82682%0.817SS**  trans-87.9154.1-165.700000115.1
508D27.5Very low31.3Very low148 Ų148134 Ų13479%0.79181%0.807SS**  trans-70.3150.8-165.9-45.6-91.9000115.7
509T29.2Very low32.1Very low141 Ų141130.5 Ų130.587%0.86579%0.793SS**  trans-124.4117.114439.30000107.6
510E29.1Very low32Very low193 Ų193130.1 Ų130.190%0.90279%0.792SS**  trans-69.1144.4-175.3-62.5173.3150.200112
511S27.3Very low32.7Very low100 Ų100130.8 Ų130.870%0.69978%0.781SS**  trans-134.1108.2168.657.60000108.9D513S511-D513 PolarHBondContact O-N 3.09Å
512D31.1Very low33.4Very low167 Ų167131.6 Ų131.689%0.89377%0.77SS**  trans-65.8116.6170.2-70.6-52.5000109.8
513D33.3Very low33.4Very low155 Ų155127.3 Ų127.383%0.82974%0.743SS**  trans-138.776.6170.9-101-32.3000108S511S511-D513 PolarHBondContact O-N 3.09Å
514D34.2Very low34.8Very low166 Ų166127 Ų12789%0.88873%0.728SS**  trans-149.631.2-174.4-135.2-3.5000113.6
515D33Very low36.5Very low167 Ų167129.9 Ų129.989%0.89373%0.726SS**  trans-120.9-2.1-170.8-130.1-2.9000114.6
516D37.7Very low38.7Very low155 Ų155127.8 Ų127.883%0.82970%0.697SS**  trans-94.6-8.7-164.9-133.48.3000115.1
517D35.3Very low41Very low120 Ų120120.3 Ų120.364%0.64266%0.662SS**Hα-helixtrans-85.2-11.1-167.2-166.646.8000115.1K521D517-K521 PolarHBondContact O-NZ 3.1Å; D517-K521 IonicContact OD1-NZ 2.67Å; D517-K521 IonicContact OD2-NZ 3.68Å; D517-K521 PolarHBondContact OD2-NZ 2.65Å
518D38.3Very low43.5Very low119 Ų119117.4 Ų117.464%0.63664%0.641SS**Hα-helixtrans-92-34.4-174.4-152.740.9000114.4C520 K521D518-C520 VanDerWaalsContact C-N 3.3Å; D518-C520 PolarHBondContact O-N 3.27Å; D518-K521 PolarHBondContact O-N 2.75Å
519D43.1Very low46Very low106 Ų106111.2 Ų111.257%0.56761%0.609SS**Hα-helixtrans-72.6-25.6-178.9-128.821.1000112K521 K522 S523D519-K521 VanDerWaalsContact C-N 3.32Å; D519-K521 PolarHBondContact O-N 2.69Å; D519-K522 VanDerWaalsContact O-CB 3.3Å; D519-K522 WeakPolarHBondContact O-CB 3.42Å; D519-K522 PolarHBondContact O-N 3.14Å; D519-K522 WeakPolarHBondContact OD1-CD 3.4Å; D519-K522 IonicContact OD1-NZ 3.58Å; D519-K522 PolarHBondContact OD1-NZ 3.19Å; D519-S523 PolarHBondContact O-N 3.42Å
520C42.1Very low48.3Very low86 Ų86105.7 Ų105.758%0.58158%0.578SS**Hα-helixtrans-60.2-40.6177.2-155.40000112.2D518 K522 S523D518-C520 VanDerWaalsContact C-N 3.3Å; D518-C520 PolarHBondContact O-N 3.27Å; C520-K522 PolarHBondContact O-N 3.14Å; C520-S523 WeakPolarHBondContact O-CB 3.47Å; C520-S523 PolarHBondContact O-N 2.96Å; C520-S523 PolarHBondContact O-OG 2.74Å
521K37.8Very low50.2Low119 Ų11998.8 Ų98.852%0.51756%0.559SS.*Hα-helixtrans-64.5-39.4179.4-59.4179.6-176.878.70111.8D517 D518 D519 S523 S524D517-K521 PolarHBondContact O-NZ 3.1Å; D517-K521 IonicContact OD1-NZ 2.67Å; D517-K521 IonicContact OD2-NZ 3.68Å; D517-K521 PolarHBondContact OD2-NZ 2.65Å; D518-K521 PolarHBondContact O-N 2.75Å; D519-K521 VanDerWaalsContact C-N 3.32Å; D519-K521 PolarHBondContact O-N 2.69Å; K521-S523 VanDerWaalsContact C-N 3.32Å; K521-S523 PolarHBondContact O-N 2.92Å; K521-S524 PolarHBondContact O-N 3.49Å
522K42.4Very low52.7Low139 Ų13997.9 Ų97.960%0.60455%0.552SS**Hα-helixtrans-62.2-39.8177.1-149.1-168.8-122.9134.50111.6D519 C520 S524 M525D519-K522 VanDerWaalsContact O-CB 3.3Å; D519-K522 WeakPolarHBondContact O-CB 3.42Å; D519-K522 PolarHBondContact O-N 3.14Å; D519-K522 WeakPolarHBondContact OD1-CD 3.4Å; D519-K522 IonicContact OD1-NZ 3.58Å; D519-K522 PolarHBondContact OD1-NZ 3.19Å; C520-K522 PolarHBondContact O-N 3.14Å; K522-S524 PolarHBondContact O-N 2.82Å; K522-M525 PolarHBondContact O-N 2.93Å
523S40.9Very low55.3Low36 Ų3691.4 Ų91.425%0.25252%0.516SS..Hα-helixtrans-63.4-26.8-176.989.60000114D519 C520 K521 K574D519-S523 PolarHBondContact O-N 3.42Å; C520-S523 WeakPolarHBondContact O-CB 3.47Å; C520-S523 PolarHBondContact O-N 2.96Å; C520-S523 PolarHBondContact O-OG 2.74Å; K521-S523 VanDerWaalsContact C-N 3.32Å; K521-S523 PolarHBondContact O-N 2.92Å; S523-K574 VanDerWaalsContact CB-CE 3.45Å; S523-K574 WeakPolarHBondContact OG-CE 3.03Å; S523-K574 PolarHBondContact OG-NZ 3.19Å
524S54.5Low57.7Low74 Ų7485.1 Ų85.152%0.51749%0.486SS..Hα-helixtrans-78-14.9-178.3-173.50000114K521 K522K521-S524 PolarHBondContact O-N 3.49Å; K522-S524 PolarHBondContact O-N 2.82Å
525M63.7Low60.1Low162 Ų16285 Ų8580%0.79848%0.482SS*.Hα-helixtrans-85.4-32.2178-75.7-172.3159.300113K522 E527K522-M525 PolarHBondContact O-N 2.93Å; M525-E527 VanDerWaalsContact C-N 3.32Å; M525-E527 PolarHBondContact O-N 3.2Å
526D74.4Confident62.6Low33 Ų3377.2 Ų77.218%0.17644%0.441CS..Hα-helixtrans-75.4-20.3-177.7-99.818.7000112.7G528 T573 K600 G601 T602D526-G528 VanDerWaalsContact C-N 3.31Å; D526-G528 PolarHBondContact O-N 3.37Å; D526-T573 WeakPolarHBondContact OD2-CG2 3.44Å; D526-K600 HydrophobicContact CB-CB 4.28Å; D526-K600 WeakPolarHBondContact OD2-CD 3.43Å; D526-K600 IonicContact OD2-NZ 2.74Å; D526-K600 PolarHBondContact OD2-NZ 2.82Å; D526-G601 PolarHBondContact O-N 3.43Å; D526-T602 VanDerWaalsContact OD1-CG2 3.3Å; D526-T602 WeakPolarHBondContact OD1-CG2 3.5Å
527E76.9Confident65Low40 Ų4070.4 Ų70.419%0.18741%0.405CS..THydrogen-bonded Turntrans-73.5-12.3179.5-71-178.9151.800114.5M525 A530 V571 K574M525-E527 VanDerWaalsContact C-N 3.32Å; M525-E527 PolarHBondContact O-N 3.2Å; E527-A530 WeakPolarHBondContact O-CB 3.12Å; E527-V571 HydrophobicContact CG-CB 4.19Å; E527-V571 HydrophobicContact CG-CG1 3.7Å; E527-K574 WeakPolarHBondContact OE1-CD 3.34Å; E527-K574 WeakPolarHBondContact OE1-CE 3.22Å; E527-K574 IonicContact OE1-NZ 3.51Å; E527-K574 PolarHBondContact OE1-NZ 2.77Å; E527-K574 IonicContact OE2-NZ 3.72Å; E527-K574 PolarHBondContact OE2-NZ 2.81Å
528G82.3Confident67.6Low39 Ų3970.2 Ų70.240%0.40240%0.401SS..G310 helixtrans63.5-141.2178.200000113.2D526 A530D526-G528 VanDerWaalsContact C-N 3.31Å; D526-G528 PolarHBondContact O-N 3.37Å; G528-A530 VanDerWaalsContact C-N 3.34Å
529T79.4Confident70.1Confident19 Ų1968.2 Ų68.212%0.11739%0.387CS..G310 helixtrans-70.7-26.8-18046.70000113.1W365 E412 H414 G531 S532W365-T529 HydrophobicContact CH2-CG2 4.42Å; W365-T529 HydrophobicContact CZ2-CG2 4.01Å; E412-T529 WeakPolarHBondContact OE1-CB 3.35Å; E412-T529 PolarHBondContact OE1-OG1 3.49Å; H414-T529 PolarHBondContact CE1-O 3.43Å; T529-G531 PolarHBondContact O-N 3.12Å; T529-S532 PolarHBondContact O-N 2.74Å; T529-S532 PolarHBondContact O-OG 2.83Å
530A76.8Confident72.3Confident25 Ų2563.1 Ų63.121%0.20736%0.36CS..G310 helixtrans-53.8-30.8177.200000113.4E412 E527 G528 S532 Y598E412-A530 VanDerWaalsContact CD-CA 3.48Å; E412-A530 PolarHBondContact OE1-N 3.01Å; E412-A530 VanDerWaalsContact OE2-CA 3.25Å; E412-A530 WeakPolarHBondContact OE2-CA 3.42Å; E412-A530 VanDerWaalsContact OE2-CB 3.24Å; E412-A530 WeakPolarHBondContact OE2-CB 3.44Å; E412-A530 PolarHBondContact OE2-N 3.28Å; E527-A530 WeakPolarHBondContact O-CB 3.12Å; G528-A530 VanDerWaalsContact C-N 3.34Å; A530-S532 PolarHBondContact O-N 3.46Å; A530-Y598 HydrophobicContact CB-CE2 4.41Å
531G69.2Low74.7Confident48 Ų4859.2 Ų59.250%0.49533%0.334SS..G310 helixtrans-63.1-17.1178.100000114.9T529T529-G531 PolarHBondContact O-N 3.12Å
532S79.9Confident77.3Confident81 Ų8157.4 Ų57.457%0.56633%0.33SS*.G310 helixtrans-130.523.3-173.464.30000115.8T529 A530 A534T529-S532 PolarHBondContact O-N 2.74Å; T529-S532 PolarHBondContact O-OG 2.83Å; A530-S532 PolarHBondContact O-N 3.46Å; S532-A534 PolarHBondContact O-N 2.81Å
533E86.5Confident79.7Confident30 Ų3050.8 Ų50.814%0.1430%0.301CS..  trans-44.5138.9170.6-83.1-175.8-173.300112.9E412 N413 K465 K467E412-E533 HydrophobicContact CG-CG 3.65Å; N413-E533 CarbonylContact O-C 3.4Å; K465-E533 IonicContact NZ-OE1 2.64Å; K467-E533 HydrophobicContact CD-CB 4.42Å; K467-E533 VanDerWaalsContact CD-OE2 3.3Å; K467-E533 WeakPolarHBondContact CD-OE2 3.43Å; K467-E533 WeakPolarHBondContact CE-OE2 3.45Å; K467-E533 PolarHBondContact NZ-O 3.09Å; K467-E533 IonicContact NZ-OE2 2.68Å; K467-E533 PolarHBondContact NZ-OE2 3.44Å
534A83.6Confident82.4Confident24 Ų2449.1 Ų49.120%0.19829%0.289CS..PPolyproline II helixtrans-64.3173.6176.700000114N413 K467 S532N413-A534 WeakPolarHBondContact O-CB 3.17Å; N413-A534 PolarHBondContact O-N 3.01Å; K467-A534 VanDerWaalsContact CD-O 3.31Å; K467-A534 WeakPolarHBondContact CD-O 3.4Å; K467-A534 PolarHBondContact NZ-O 3.24Å; S532-A534 PolarHBondContact O-N 2.81Å
535M84.9Confident84.3Confident163 Ų16345.7 Ų45.780%0.80327%0.265SS*.PPolyproline II helixtrans-82.8133.2169.1-72.7-153.4-71.700111.2Q421Q421-M535 PolarHBondContact NE2-O 3.34Å
536A84.6Confident85.9Confident4 Ų438.2 Ų38.23%0.03323%0.228CC..PPolyproline II helixtrans-68143176.700000112.3K467 K469K467-A536 HydrophobicContact CB-CB 4.04Å; K467-A536 WeakPolarHBondContact O-CB 3.41Å; K469-A536 WeakPolarHBondContact CE-O 3.4Å; K469-A536 PolarHBondContact NZ-O 3.28Å
537T89.3Confident86.9Confident11 Ų1136.7 Ų36.77%0.06722%0.22CC..  trans-75.6177.6164.6710000111.5P418 Q421 E539 S541P418-T537 HydrophobicContact CB-CG2 3.77Å; P418-T537 HydrophobicContact CG-CG2 4.39Å; Q421-T537 HydrophobicContact CB-CG2 3.74Å; Q421-T537 HydrophobicContact CG-CG2 4.21Å; T537-E539 WeakPolarHBondContact CB-OE2 3.48Å; T537-E539 PolarHBondContact OG1-OE2 3.41Å; T537-S541 VanDerWaalsContact O-CB 3.28Å; T537-S541 WeakPolarHBondContact O-CB 3.5Å; T537-S541 PolarHBondContact O-N 3.15Å; T537-S541 VanDerWaalsContact O-N 3.09Å; T537-S541 PolarHBondContact O-OG 2.97Å
538E89.8Confident87.9Confident117 Ų11736.4 Ų36.455%0.54722%0.218SC..Hα-helixtrans-70-41.3176.3-168.6172.9143.700110.7M540 S541 N542E538-M540 VanDerWaalsContact C-N 3.29Å; E538-M540 PolarHBondContact O-N 2.94Å; E538-S541 PolarHBondContact O-N 3.24Å; E538-S541 VanDerWaalsContact O-N 3.09Å; E538-N542 WeakPolarHBondContact O-CB 3.48Å; E538-N542 PolarHBondContact O-N 2.89Å; E538-N542 PolarHBondContact O-ND2 2.91Å; E538-N542 PolarHBondContact O-OD1 2.83Å
539E89.8Confident88.5Confident76 Ų7635.7 Ų35.736%0.35521%0.207SC..Hα-helixtrans-60.4-36.2-178-54.983.717100112.8A422 A425 R429 T537A422-E539 HydrophobicContact CB-CB 4.38Å; A422-E539 HydrophobicContact CB-CG 3.98Å; A425-E539 HydrophobicContact CB-CB 3.94Å; A425-E539 WeakPolarHBondContact CB-O 3.33Å; R429-E539 PolarHBondContact NH2-O 3.3Å; T537-E539 WeakPolarHBondContact CB-OE2 3.48Å; T537-E539 PolarHBondContact OG1-OE2 3.41Å
540M90.4Very high89.3Confident0 Ų036.6 Ų36.60%021%0.212CC..Hα-helixtrans-82.7-37.2172.3-71.4-61.1-65.200112.6F411 Q421 M424 A425 N466 E538 N542 L543F411-M540 HydrophobicContact CD1-CE 3.93Å; F411-M540 HydrophobicContact CE1-CE 3.75Å; F411-M540 HydrophobicContact CZ-CE 4.28Å; Q421-M540 HydrophobicContact CB-CG 4.03Å; M424-M540 HydrophobicContact CB-SD 3.97Å; M424-M540 HydrophobicContact CE-CE 4.26Å; A425-M540 HydrophobicContact CB-CG 4.37Å; A425-M540 HydrophobicContact CB-SD 3.66Å; N466-M540 VanDerWaalsContact ND2-CE 3.3Å; N466-M540 WeakPolarHBondContact ND2-CE 3.43Å; E538-M540 VanDerWaalsContact C-N 3.29Å; E538-M540 PolarHBondContact O-N 2.94Å; M540-N542 PolarHBondContact O-N 3.39Å; M540-L543 PolarHBondContact O-N 3.25Å; M540-L543 VanDerWaalsContact O-N 3.13Å; M540-L543 HydrophobicContact SD-CD1 4.42Å
541S90.9Very high90Very high4 Ų444.1 Ų44.13%0.02824%0.24CC..Hα-helixtrans-59.5-33.8176-66.80000112.2K469 T537 E538 L543 V544K469-S541 PolarHBondContact N-OG 3.31Å; K469-S541 VanDerWaalsContact N-OG 3.09Å; T537-S541 VanDerWaalsContact O-CB 3.28Å; T537-S541 WeakPolarHBondContact O-CB 3.5Å; T537-S541 PolarHBondContact O-N 3.15Å; T537-S541 VanDerWaalsContact O-N 3.09Å; T537-S541 PolarHBondContact O-OG 2.97Å; E538-S541 PolarHBondContact O-N 3.24Å; E538-S541 VanDerWaalsContact O-N 3.09Å; S541-L543 PolarHBondContact O-N 3.02Å; S541-V544 PolarHBondContact O-N 3.24Å
542N92.8Very high91.3Very high80 Ų8043.7 Ų43.743%0.42823%0.225SC..THydrogen-bonded Turntrans-74.4-2.2-179.8-66.7-5.7000113.7E538 M540E538-N542 WeakPolarHBondContact O-CB 3.48Å; E538-N542 PolarHBondContact O-N 2.89Å; E538-N542 PolarHBondContact O-ND2 2.91Å; E538-N542 PolarHBondContact O-OD1 2.83Å; M540-N542 PolarHBondContact O-N 3.39Å
543L93.9Very high91.9Very high0 Ų044.6 Ų44.60%022%0.22CC..THydrogen-bonded Turntrans-97.6-4.3171.2-56.4-174.2000113A425 C428 R429 L436 M438 V464 M540 S541A425-L543 HydrophobicContact CB-CD1 4.09Å; C428-L543 HydrophobicContact CB-CD1 3.95Å; R429-L543 HydrophobicContact CG-CD2 4.34Å; L436-L543 HydrophobicContact CD2-CD1 4.37Å; L436-L543 HydrophobicContact CD2-CD2 3.96Å; M438-L543 HydrophobicContact CG-CD2 4.03Å; M438-L543 HydrophobicContact SD-CD2 4.37Å; V464-L543 HydrophobicContact CB-CB 4.27Å; V464-L543 HydrophobicContact CG1-CB 4.47Å; V464-L543 HydrophobicContact CG2-CB 4.25Å; M540-L543 PolarHBondContact O-N 3.25Å; M540-L543 VanDerWaalsContact O-N 3.13Å; M540-L543 HydrophobicContact SD-CD1 4.42Å; S541-L543 PolarHBondContact O-N 3.02Å
544V95.7Very high92.4Very high2 Ų244.4 Ų44.41%0.01222%0.222CC..  trans-103.9116.5-172-177.50000110.4V464 N466 K468 S541 Q548V464-V544 HydrophobicContact CG1-CG2 4.27Å; N466-V544 HydrophobicContact CB-CG2 3.95Å; N466-V544 WeakPolarHBondContact O-CG2 3.28Å; K468-V544 HydrophobicContact CB-CB 4.35Å; K468-V544 HydrophobicContact CB-CG1 4.28Å; K468-V544 HydrophobicContact CD-CB 4.21Å; K468-V544 HydrophobicContact CD-CG1 4.33Å; K468-V544 WeakPolarHBondContact CE-O 3.23Å; K468-V544 HydrophobicContact CG-CB 4.46Å; K468-V544 PolarHBondContact NZ-O 3.21Å; S541-V544 PolarHBondContact O-N 3.24Å; V544-Q548 HydrophobicContact CG1-CB 4.15Å; V544-Q548 HydrophobicContact CG1-CG 4.26Å
545N94.6Very high93Very high2 Ų243.8 Ų43.81%0.01122%0.215CC..SBendtrans-122-89.1178.541.653.6000112L437 M438 P440 L446 I547L437-N545 PolarHBondContact O-ND2 3.09Å; M438-N545 PolarHBondContact O-ND2 3.14Å; P440-N545 HydrophobicContact CG-CB 4.42Å; L446-N545 HydrophobicContact CD1-CB 4.2Å; N545-I547 VanDerWaalsContact C-N 3.35Å; N545-I547 PolarHBondContact O-N 3.09Å
546Y97.4Very high93.6Very high5 Ų541.5 Ų41.52%0.0220%0.203CC..SBendtrans-78.7-12.2-170.1-66.6-66.9000115.4L437 P440 L441 Y444 L446 L452 P453 L463 F565L437-Y546 HydrophobicContact CD2-CD2 3.74Å; L437-Y546 HydrophobicContact CD2-CE2 3.9Å; P440-Y546 WeakPolarHBondContact CA-OH 3.3Å; P440-Y546 HydrophobicContact CB-CE2 4.45Å; P440-Y546 WeakPolarHBondContact CB-OH 3.35Å; L441-Y546 PolarHBondContact N-OH 3.32Å; L441-Y546 PolarHBondContact O-OH 2.93Å; Y444-Y546 WeakPolarHBondContact CB-OH 3.19Å; Y444-Y546 VanDerWaalsContact O-CE1 3.26Å; Y444-Y546 WeakPolarHBondContact O-CE1 3.38Å; Y444-Y546 PolarHBondContact O-OH 2.96Å; L446-Y546 HydrophobicContact CD2-CD1 3.75Å; L446-Y546 HydrophobicContact CD2-CE1 3.74Å; L446-Y546 HydrophobicContact CD2-CG 4.47Å; L452-Y546 HydrophobicContact CD2-CD1 4.12Å; L452-Y546 HydrophobicContact CD2-CG 4.43Å; L452-Y546 WeakPolarHBondContact CD2-O 3.16Å; P453-Y546 HydrophobicContact CG-CD1 4.06Å; P453-Y546 HydrophobicContact CG-CD2 4.13Å; P453-Y546 HydrophobicContact CG-CE1 3.72Å; P453-Y546 HydrophobicContact CG-CE2 3.78Å; P453-Y546 HydrophobicContact CG-CG 4.25Å; L463-Y546 HydrophobicContact CD2-CD2 4.2Å; Y546-F565 WeakPolarHBondContact O-CA 3.48Å
547I96.9Very high94.1Very high0 Ų044.3 Ų44.30%022%0.216CC..  trans-121.358.5-175.3-35.8-68.9000108.9L322 L408 L463 K465 N545 P549 M567 L594L322-I547 HydrophobicContact CD2-CD1 3.83Å; L408-I547 HydrophobicContact CD2-CD1 3.93Å; L408-I547 HydrophobicContact CD2-CG1 4.12Å; L463-I547 HydrophobicContact CB-CG1 3.98Å; L463-I547 HydrophobicContact CD2-CD1 4.22Å; L463-I547 HydrophobicContact CD2-CG1 3.99Å; K465-I547 HydrophobicContact CB-CB 4.28Å; K465-I547 HydrophobicContact CB-CG2 3.78Å; K465-I547 HydrophobicContact CG-CG2 4.25Å; N545-I547 VanDerWaalsContact C-N 3.35Å; N545-I547 PolarHBondContact O-N 3.09Å; I547-P549 WeakPolarHBondContact O-CD 3.48Å; I547-M567 HydrophobicContact CG2-CE 4.47Å; I547-M567 HydrophobicContact CG2-CG 3.91Å; I547-M567 HydrophobicContact CG2-SD 4.48Å; I547-L594 HydrophobicContact CD1-CD1 3.54Å; I547-L594 HydrophobicContact CG2-CD1 4.48Å
548Q96.9Very high94.4Very high34 Ų3444.3 Ų44.316%0.15922%0.217CC..EExtended strand (participates in β ladder)trans-84.9106.6-176.4-170.2-170.7-73.700110.5K468 V544 V550 F565 M567K468-Q548 HydrophobicContact CB-CG 4.03Å; K468-Q548 HydrophobicContact CD-CG 4.41Å; V544-Q548 HydrophobicContact CG1-CB 4.15Å; V544-Q548 HydrophobicContact CG1-CG 4.26Å; Q548-V550 PolarHBondContact O-N 3.2Å; Q548-F565 HydrophobicContact CB-CD2 4.32Å; Q548-F565 WeakPolarHBondContact CB-O 3.39Å; Q548-F565 PolarHBondContact N-O 3.2Å; Q548-M567 PolarHBondContact O-N 3.2Å
549P95.6Very high94.6Very high24 Ų2445.6 Ų45.616%0.15622%0.221CC..EExtended strand (participates in β ladder)trans-68.5129.9177.830.8-34.7000110.5K465 N466 I547 M567K465-P549 HydrophobicContact CG-CB 4.24Å; K465-P549 HydrophobicContact CG-CG 4.12Å; N466-P549 VanDerWaalsContact C-CG 3.42Å; N466-P549 WeakPolarHBondContact O-CD 3.3Å; N466-P549 VanDerWaalsContact O-CG 3.27Å; N466-P549 WeakPolarHBondContact O-CG 3.4Å; I547-P549 WeakPolarHBondContact O-CD 3.48Å; P549-M567 CarbonylContact C-O 3.58Å; P549-M567 WeakPolarHBondContact CA-O 3.34Å; P549-M567 HydrophobicContact CB-SD 4.05Å
550V95Very high94.9Very high39 Ų3951 Ų5124%0.23624%0.243CC..  trans-127.2150.7172.6-620000110.1Q548 F552 E566 M567 S568Q548-V550 PolarHBondContact O-N 3.2Å; V550-F552 PolarHBondContact O-N 3.37Å; V550-E566 HydrophobicContact CG1-CB 4.25Å; V550-E566 HydrophobicContact CG1-CG 3.96Å; V550-E566 HydrophobicContact CG2-CB 4.06Å; V550-M567 PolarHBondContact N-O 3.29Å; V550-S568 PolarHBondContact O-OG 3.26Å
551K93.1Very high95.1Very high182 Ų18255.4 Ų55.479%0.79126%0.259SS*.  trans-63.3128.4170.2-174.6179.3177.7-177.40108.1
552F95.4Very high95.3Very high40 Ų4058.1 Ų58.118%0.17527%0.274CS..  trans-68.7139.1173.4-172.8-103.5000110.2V550 F555 F570V550-F552 PolarHBondContact O-N 3.37Å; F552-F555 AromaticContact CE2-CD1 3.76Å; F552-F555 HydrophobicContact CE2-CD1 3.76Å; F552-F555 AromaticContact CE2-CE1 3.79Å; F552-F555 HydrophobicContact CE2-CE1 3.79Å; F552-F555 HydrophobicContact CE2-CG 4.4Å; F552-F555 HydrophobicContact CE2-CZ 4.45Å; F552-F555 AromaticContact CZ-CD1 3.61Å; F552-F555 HydrophobicContact CZ-CD1 3.61Å; F552-F555 HydrophobicContact CZ-CD2 4.12Å; F552-F555 AromaticContact CZ-CE1 3.61Å; F552-F555 HydrophobicContact CZ-CE1 3.61Å; F552-F555 HydrophobicContact CZ-CE2 4.12Å; F552-F555 AromaticContact CZ-CG 3.87Å; F552-F555 HydrophobicContact CZ-CG 3.87Å; F552-F555 AromaticContact CZ-CZ 3.87Å; F552-F555 HydrophobicContact CZ-CZ 3.87Å; F552-F570 HydrophobicContact CB-CE1 3.94Å; F552-F570 HydrophobicContact CB-CZ 4.16Å; F552-F570 AromaticContact CD1-CE1 3.79Å; F552-F570 HydrophobicContact CD1-CE1 3.79Å; F552-F570 HydrophobicContact CD1-CZ 4.33Å; F552-F570 AromaticContact CD2-CE1 3.96Å; F552-F570 HydrophobicContact CD2-CE1 3.96Å; F552-F570 AromaticContact CD2-CZ 3.65Å; F552-F570 HydrophobicContact CD2-CZ 3.65Å; F552-F570 HydrophobicContact CE1-CE1 4.22Å; F552-F570 HydrophobicContact CE2-CE1 4.39Å; F552-F570 HydrophobicContact CE2-CZ 4.04Å; F552-F570 AromaticContact CG-CE1 3.63Å; F552-F570 HydrophobicContact CG-CE1 3.63Å; F552-F570 AromaticContact CG-CZ 3.8Å; F552-F570 HydrophobicContact CG-CZ 3.8Å; F552-F570 HydrophobicContact CZ-CE1 4.49Å
553E93.3Very high95.5Very high100 Ų10057.5 Ų57.547%0.46727%0.267SS..  trans-118-66.1178.3-70.4163.2-125.500109I557 R561E553-I557 HydrophobicContact CB-CB 4.43Å; E553-I557 HydrophobicContact CB-CD1 3.83Å; E553-I557 HydrophobicContact CB-CG2 4.27Å; E553-R561 IonicContact OE1-CZ 2.62Å; E553-R561 IonicContact OE1-NH1 3.67Å; E553-R561 PolarHBondContact OE1-NH1 2.82Å; E553-R561 IonicContact OE1-NH2 2.76Å; E553-R561 PolarHBondContact OE1-NH2 3.4Å; E553-R561 IonicContact OE2-CZ 2.95Å; E553-R561 IonicContact OE2-NH1 2.77Å; E553-R561 IonicContact OE2-NH2 2.64Å; E553-R561 PolarHBondContact OE2-NH2 3.32Å
554S96.3Very high95.6Very high26 Ų2657.6 Ų57.618%0.18227%0.268CS..  trans-155.3169.1167.487.60000111.4E556 I557 S558S554-E556 WeakPolarHBondContact CB-OE2 3.44Å; S554-E556 PolarHBondContact OG-N 2.87Å; S554-E556 PolarHBondContact OG-OE2 2.95Å; S554-I557 WeakPolarHBondContact OG-CG1 3.38Å; S554-I557 PolarHBondContact OG-N 2.9Å; S554-I557 VanDerWaalsContact OG-N 3.15Å; S554-S558 WeakPolarHBondContact O-CB 3.47Å; S554-S558 PolarHBondContact O-N 3.12Å; S554-S558 VanDerWaalsContact O-N 3.08Å; S554-S558 PolarHBondContact O-OG 2.89Å
555F96.9Very high95.7Very high11 Ų1158.2 Ų58.25%0.04827%0.27CS..Hα-helixtrans-66.9-36.9174.9-68.4-58.8000112F552 S558 K559 Q578 E585 F586 Y589F552-F555 AromaticContact CE2-CD1 3.76Å; F552-F555 HydrophobicContact CE2-CD1 3.76Å; F552-F555 AromaticContact CE2-CE1 3.79Å; F552-F555 HydrophobicContact CE2-CE1 3.79Å; F552-F555 HydrophobicContact CE2-CG 4.4Å; F552-F555 HydrophobicContact CE2-CZ 4.45Å; F552-F555 AromaticContact CZ-CD1 3.61Å; F552-F555 HydrophobicContact CZ-CD1 3.61Å; F552-F555 HydrophobicContact CZ-CD2 4.12Å; F552-F555 AromaticContact CZ-CE1 3.61Å; F552-F555 HydrophobicContact CZ-CE1 3.61Å; F552-F555 HydrophobicContact CZ-CE2 4.12Å; F552-F555 AromaticContact CZ-CG 3.87Å; F552-F555 HydrophobicContact CZ-CG 3.87Å; F552-F555 AromaticContact CZ-CZ 3.87Å; F552-F555 HydrophobicContact CZ-CZ 3.87Å; F555-S558 PolarHBondContact O-N 3.28Å; F555-K559 WeakPolarHBondContact O-CB 3.43Å; F555-K559 PolarHBondContact O-N 2.91Å; F555-Q578 HydrophobicContact CE2-CB 4.21Å; F555-Q578 VanDerWaalsContact CE2-OE1 3.22Å; F555-Q578 HydrophobicContact CZ-CB 4.1Å; F555-Q578 HydrophobicContact CZ-CG 4.43Å; F555-E585 HydrophobicContact CB-CB 4.02Å; F555-E585 HydrophobicContact CD2-CB 3.6Å; F555-E585 HydrophobicContact CE2-CB 4.25Å; F555-E585 HydrophobicContact CG-CB 3.87Å; F555-F586 HydrophobicContact CE1-CB 4.15Å; F555-F586 AromaticContact CE1-CD2 3.73Å; F555-F586 HydrophobicContact CE1-CD2 3.73Å; F555-F586 HydrophobicContact CE1-CE2 4.37Å; F555-F586 HydrophobicContact CE1-CG 4.07Å; F555-F586 HydrophobicContact CE2-CB 4.21Å; F555-F586 HydrophobicContact CZ-CB 3.62Å; F555-F586 HydrophobicContact CZ-CD1 4.17Å; F555-F586 AromaticContact CZ-CD2 3.69Å; F555-F586 HydrophobicContact CZ-CD2 3.69Å; F555-F586 HydrophobicContact CZ-CE2 4.35Å; F555-F586 AromaticContact CZ-CG 3.58Å; F555-F586 HydrophobicContact CZ-CG 3.58Å; F555-Y589 HydrophobicContact CD1-CD2 4.07Å; F555-Y589 AromaticContact CD1-CG 3.97Å; F555-Y589 HydrophobicContact CD1-CG 3.97Å; F555-Y589 HydrophobicContact CE1-CD1 4.45Å; F555-Y589 HydrophobicContact CE1-CD2 4.4Å; F555-Y589 AromaticContact CE1-CG 3.99Å; F555-Y589 HydrophobicContact CE1-CG 3.99Å
556E96.3Very high95.8Very high115 Ų11558.8 Ų58.854%0.53727%0.273SS..Hα-helixtrans-65.3-42.3177.5-52.966.1-137.300110.9S554 K559 K560S554-E556 WeakPolarHBondContact CB-OE2 3.44Å; S554-E556 PolarHBondContact OG-N 2.87Å; S554-E556 PolarHBondContact OG-OE2 2.95Å; E556-K559 PolarHBondContact O-N 3.12Å; E556-K560 WeakPolarHBondContact O-CB 3.35Å; E556-K560 PolarHBondContact O-N 3.48Å
557I95.8Very high95.8Very high62 Ų6258.6 Ų58.632%0.31827%0.272SS..Hα-helixtrans-66.3-42.7178-67.2167.9000110.2E553 S554 K560 R561E553-I557 HydrophobicContact CB-CB 4.43Å; E553-I557 HydrophobicContact CB-CD1 3.83Å; E553-I557 HydrophobicContact CB-CG2 4.27Å; S554-I557 WeakPolarHBondContact OG-CG1 3.38Å; S554-I557 PolarHBondContact OG-N 2.9Å; S554-I557 VanDerWaalsContact OG-N 3.15Å; I557-K560 PolarHBondContact O-N 3.38Å; I557-R561 WeakPolarHBondContact O-CG 3.36Å; I557-R561 PolarHBondContact O-N 3.42Å
558S94.9Very high95.9Very high11 Ų1158.6 Ų58.68%0.07727%0.273CS..Hα-helixtrans-62.7-47.9176-56.60000111.4S554 F555 K560 R561 N562S554-S558 WeakPolarHBondContact O-CB 3.47Å; S554-S558 PolarHBondContact O-N 3.12Å; S554-S558 VanDerWaalsContact O-N 3.08Å; S554-S558 PolarHBondContact O-OG 2.89Å; F555-S558 PolarHBondContact O-N 3.28Å; S558-K560 VanDerWaalsContact C-N 3.31Å; S558-K560 PolarHBondContact O-N 2.88Å; S558-R561 PolarHBondContact O-N 3.12Å; S558-R561 VanDerWaalsContact O-N 3.16Å; S558-N562 PolarHBondContact O-N 3.15Å
559K94.5Very high95.9Very high145 Ų14558.9 Ų58.963%0.6328%0.278SS*.Hα-helixtrans-62-34175.8-171.4170.3-175.6169.50112.8F555 E556F555-K559 WeakPolarHBondContact O-CB 3.43Å; F555-K559 PolarHBondContact O-N 2.91Å; E556-K559 PolarHBondContact O-N 3.12Å
560K95.6Very high96Very high190 Ų19058.2 Ų58.283%0.82627%0.273SS*.Hα-helixtrans-75.6-31.5174.8-175.2176.5-180179.20113.1E556 I557 S558E556-K560 WeakPolarHBondContact O-CB 3.35Å; E556-K560 PolarHBondContact O-N 3.48Å; I557-K560 PolarHBondContact O-N 3.38Å; S558-K560 VanDerWaalsContact C-N 3.31Å; S558-K560 PolarHBondContact O-N 2.88Å
561R94.7Very high96.1Very high91 Ų9156.3 Ų56.334%0.34326%0.261SS..Hα-helixtrans-71.8-35170.8-73.7175.7-174.7166.69.5111.5S448 E553 I557 S558 K563S448-R561 PolarHBondContact OG-O 3.4Å; E553-R561 IonicContact OE1-CZ 2.62Å; E553-R561 IonicContact OE1-NH1 3.67Å; E553-R561 PolarHBondContact OE1-NH1 2.82Å; E553-R561 IonicContact OE1-NH2 2.76Å; E553-R561 PolarHBondContact OE1-NH2 3.4Å; E553-R561 IonicContact OE2-CZ 2.95Å; E553-R561 IonicContact OE2-NH1 2.77Å; E553-R561 IonicContact OE2-NH2 2.64Å; E553-R561 PolarHBondContact OE2-NH2 3.32Å; I557-R561 WeakPolarHBondContact O-CG 3.36Å; I557-R561 PolarHBondContact O-N 3.42Å; S558-R561 PolarHBondContact O-N 3.12Å; S558-R561 VanDerWaalsContact O-N 3.16Å; R561-K563 PolarHBondContact O-N 3.15Å
562N95.7Very high96.2Very high62 Ų6248.8 Ų48.833%0.33223%0.229SC..  trans49.357.2174.2-173.834.7000112.5S448 G449 S558S448-N562 CarbonylContact C-O 3.57Å; S448-N562 WeakPolarHBondContact CA-O 3.44Å; S448-N562 PolarHBondContact OG-O 3.36Å; G449-N562 VanDerWaalsContact CA-ND2 3.34Å; G449-N562 WeakPolarHBondContact CA-ND2 3.2Å; G449-N562 PolarHBondContact N-ND2 3.3Å; G449-N562 PolarHBondContact N-O 2.56Å; S558-N562 PolarHBondContact O-N 3.15Å
563K97.3Very high96.2Very high66 Ų6649.2 Ų49.229%0.28724%0.235SC..  trans-126.9105.3-179.7-72.8169.9179.1-175.60109.9R561 F565 E566 Q593R561-K563 PolarHBondContact O-N 3.15Å; K563-F565 HydrophobicContact CB-CD1 4.15Å; K563-F565 HydrophobicContact CB-CE1 3.8Å; K563-F565 HydrophobicContact CB-CZ 4.09Å; K563-F565 HydrophobicContact CD-CE1 4.12Å; K563-F565 HydrophobicContact CD-CE2 4.28Å; K563-F565 HydrophobicContact CD-CZ 3.67Å; K563-F565 HydrophobicContact CG-CE1 3.79Å; K563-F565 HydrophobicContact CG-CZ 3.89Å; K563-F565 PolarHBondContact O-N 2.89Å; K563-E566 HydrophobicContact CB-CB 4.25Å; K563-E566 HydrophobicContact CB-CG 4.09Å; K563-E566 HydrophobicContact CD-CG 3.91Å; K563-E566 WeakPolarHBondContact CD-OE1 3.46Å; K563-E566 IonicContact NZ-OE1 3.41Å; K563-E566 PolarHBondContact NZ-OE1 2.94Å; K563-E566 PolarHBondContact O-N 3.09Å; K563-E566 VanDerWaalsContact O-N 3.15Å; K563-Q593 PolarHBondContact O-NE2 3.43Å
564S96.8Very high96.3Very high2 Ų246.9 Ų46.91%0.01422%0.223CC..THydrogen-bonded Turntrans-64.8-20.6-178.1-690000114.6V450 L452 M592V450-S564 VanDerWaalsContact O-CB 3.31Å; V450-S564 WeakPolarHBondContact O-CB 3.47Å; V450-S564 PolarHBondContact O-OG 3.47Å; L452-S564 WeakPolarHBondContact CD2-O 3.38Å; S564-M592 VanDerWaalsContact CA-O 3.3Å; S564-M592 WeakPolarHBondContact CA-O 3.49Å; S564-M592 WeakPolarHBondContact CB-O 3.04Å; S564-M592 PolarHBondContact OG-O 3.13Å
565F96.9Very high96.3Very high15 Ų1545.6 Ų45.67%0.06622%0.215CC..THydrogen-bonded Turntrans-83.8-12.9176.866-92.6000114.7L446 Y546 Q548 K563L446-F565 HydrophobicContact CB-CD1 4.15Å; L446-F565 HydrophobicContact CB-CE1 4.02Å; L446-F565 HydrophobicContact CB-CE2 4.46Å; L446-F565 HydrophobicContact CB-CG 4.44Å; L446-F565 HydrophobicContact CB-CZ 4.17Å; L446-F565 HydrophobicContact CD2-CB 3.92Å; L446-F565 HydrophobicContact CD2-CD1 4.17Å; L446-F565 HydrophobicContact CD2-CD2 4.41Å; L446-F565 HydrophobicContact CD2-CG 3.93Å; L446-F565 VanDerWaalsContact O-CE1 3.26Å; L446-F565 WeakPolarHBondContact O-CE1 3.32Å; L446-F565 WeakPolarHBondContact O-CZ 3.49Å; Y546-F565 WeakPolarHBondContact O-CA 3.48Å; Q548-F565 HydrophobicContact CB-CD2 4.32Å; Q548-F565 WeakPolarHBondContact CB-O 3.39Å; Q548-F565 PolarHBondContact N-O 3.2Å; K563-F565 HydrophobicContact CB-CD1 4.15Å; K563-F565 HydrophobicContact CB-CE1 3.8Å; K563-F565 HydrophobicContact CB-CZ 4.09Å; K563-F565 HydrophobicContact CD-CE1 4.12Å; K563-F565 HydrophobicContact CD-CE2 4.28Å; K563-F565 HydrophobicContact CD-CZ 3.67Å; K563-F565 HydrophobicContact CG-CE1 3.79Å; K563-F565 HydrophobicContact CG-CZ 3.89Å; K563-F565 PolarHBondContact O-N 2.89Å
566E97.5Very high96.3Very high14 Ų1448.8 Ų48.87%0.06523%0.232CC..EExtended strand (participates in β ladder)trans-82.9129.3169.7-73.2-176.8-179.900108.8V550 K563 Q593V550-E566 HydrophobicContact CG1-CB 4.25Å; V550-E566 HydrophobicContact CG1-CG 3.96Å; V550-E566 HydrophobicContact CG2-CB 4.06Å; K563-E566 HydrophobicContact CB-CB 4.25Å; K563-E566 HydrophobicContact CB-CG 4.09Å; K563-E566 HydrophobicContact CD-CG 3.91Å; K563-E566 WeakPolarHBondContact CD-OE1 3.46Å; K563-E566 IonicContact NZ-OE1 3.41Å; K563-E566 PolarHBondContact NZ-OE1 2.94Å; K563-E566 PolarHBondContact O-N 3.09Å; K563-E566 VanDerWaalsContact O-N 3.15Å; E566-Q593 PolarHBondContact O-NE2 2.67Å
567M97.6Very high96.3Very high1 Ų146.9 Ų46.91%0.00522%0.223CC..EExtended strand (participates in β ladder)trans-133.6157-176.372.581.363.200111.5K465 I547 Q548 P549 V550 L594 R596 M621K465-M567 HydrophobicContact CG-SD 4.28Å; I547-M567 HydrophobicContact CG2-CE 4.47Å; I547-M567 HydrophobicContact CG2-CG 3.91Å; I547-M567 HydrophobicContact CG2-SD 4.48Å; Q548-M567 PolarHBondContact O-N 3.2Å; P549-M567 CarbonylContact C-O 3.58Å; P549-M567 WeakPolarHBondContact CA-O 3.34Å; P549-M567 HydrophobicContact CB-SD 4.05Å; V550-M567 PolarHBondContact N-O 3.29Å; M567-L594 WeakPolarHBondContact CA-O 3.28Å; M567-L594 HydrophobicContact CB-CB 3.88Å; M567-L594 VanDerWaalsContact CB-O 3.31Å; M567-L594 WeakPolarHBondContact CB-O 3.47Å; M567-R596 HydrophobicContact CE-CB 3.95Å; M567-M621 HydrophobicContact CE-CE 4.43Å; M567-M621 HydrophobicContact CE-SD 4.02Å
568S97.8Very high96.3Very high1 Ų145.7 Ų45.71%0.00722%0.216CC..EExtended strand (participates in β ladder)trans-125.8144.8179.2-67.40000112.4V550 Y589 L594 S595 R596V550-S568 PolarHBondContact O-OG 3.26Å; S568-Y589 PolarHBondContact N-OH 3.19Å; S568-L594 PolarHBondContact N-O 3.37Å; S568-S595 WeakPolarHBondContact O-CA 3.13Å; S568-R596 PolarHBondContact O-N 2.95Å
569S97.3Very high96.4Very high40 Ų4045.4 Ų45.428%0.2821%0.213SC..EExtended strand (participates in β ladder)trans-109.6131.1173.7-60.70000109.5R596S569-R596 CarbonylContact C-O 3.59Å; S569-R596 WeakPolarHBondContact CA-O 3.04Å
570F97.5Very high96.4Very high9 Ų943.1 Ų43.14%0.03921%0.212CC..EExtended strand (participates in β ladder)trans-124.2131-176.5-53.2-101.5000110F552 Q578 F586 R596 I597 Y598F552-F570 HydrophobicContact CB-CE1 3.94Å; F552-F570 HydrophobicContact CB-CZ 4.16Å; F552-F570 AromaticContact CD1-CE1 3.79Å; F552-F570 HydrophobicContact CD1-CE1 3.79Å; F552-F570 HydrophobicContact CD1-CZ 4.33Å; F552-F570 AromaticContact CD2-CE1 3.96Å; F552-F570 HydrophobicContact CD2-CE1 3.96Å; F552-F570 AromaticContact CD2-CZ 3.65Å; F552-F570 HydrophobicContact CD2-CZ 3.65Å; F552-F570 HydrophobicContact CE1-CE1 4.22Å; F552-F570 HydrophobicContact CE2-CE1 4.39Å; F552-F570 HydrophobicContact CE2-CZ 4.04Å; F552-F570 AromaticContact CG-CE1 3.63Å; F552-F570 HydrophobicContact CG-CE1 3.63Å; F552-F570 AromaticContact CG-CZ 3.8Å; F552-F570 HydrophobicContact CG-CZ 3.8Å; F552-F570 HydrophobicContact CZ-CE1 4.49Å; F570-Q578 HydrophobicContact CE1-CG 4.4Å; F570-F586 HydrophobicContact CE2-CE2 4.38Å; F570-F586 HydrophobicContact CE2-CZ 4.39Å; F570-R596 PolarHBondContact N-O 3.06Å; F570-I597 HydrophobicContact CB-CD1 3.99Å; F570-I597 HydrophobicContact CD2-CD1 4.1Å; F570-I597 HydrophobicContact CG-CD1 4.38Å; F570-I597 WeakPolarHBondContact O-CA 3.46Å; F570-Y598 WeakPolarHBondContact O-CD1 3.44Å; F570-Y598 PolarHBondContact O-N 2.99Å
571V97.2Very high96.4Very high0 Ų040.8 Ų40.80%020%0.202CC..EExtended strand (participates in β ladder)trans-64.2148.1163.860.50000109.5E527 T573 K574 G575 Y598 K600E527-V571 HydrophobicContact CG-CB 4.19Å; E527-V571 HydrophobicContact CG-CG1 3.7Å; V571-T573 PolarHBondContact O-N 2.87Å; V571-K574 HydrophobicContact CG1-CB 4.02Å; V571-K574 HydrophobicContact CG1-CD 4.06Å; V571-K574 HydrophobicContact CG1-CG 3.83Å; V571-K574 PolarHBondContact O-N 3.16Å; V571-G575 PolarHBondContact O-N 3.48Å; V571-Y598 CarbonylContact C-O 3.55Å; V571-Y598 HydrophobicContact CB-CE1 4.34Å; V571-Y598 HydrophobicContact CB-CE2 3.87Å; V571-Y598 HydrophobicContact CG2-CE2 4.2Å; V571-Y598 VanDerWaalsContact N-CE1 3.32Å; V571-K600 HydrophobicContact CG2-CB 3.47Å; V571-K600 VanDerWaalsContact CG2-CB 3.47Å
572E95.8Very high96.4Very high23 Ų2338 Ų3811%0.10720%0.196CC..Hα-helixtrans-52.6-29.7-17282.4-17185.800114L576 Y598 P599 K600 R603 Y609E572-L576 WeakPolarHBondContact O-CB 3.07Å; E572-L576 PolarHBondContact O-N 3.29Å; E572-Y598 PolarHBondContact N-O 2.84Å; E572-P599 WeakPolarHBondContact OE1-CA 3.5Å; E572-K600 HydrophobicContact CG-CB 4.21Å; E572-K600 HydrophobicContact CG-CD 3.83Å; E572-K600 HydrophobicContact CG-CG 4.29Å; E572-K600 WeakPolarHBondContact OE1-CG 3.25Å; E572-K600 PolarHBondContact OE1-N 2.99Å; E572-R603 VanDerWaalsContact CD-NE 3.34Å; E572-R603 VanDerWaalsContact OE1-CD 3.28Å; E572-R603 WeakPolarHBondContact OE1-CD 3.2Å; E572-R603 IonicContact OE1-CZ 2.83Å; E572-R603 IonicContact OE1-NE 3.73Å; E572-R603 PolarHBondContact OE1-NE 2.96Å; E572-R603 IonicContact OE1-NH2 2.75Å; E572-R603 IonicContact OE2-CZ 3.58Å; E572-R603 IonicContact OE2-NE 3.3Å; E572-R603 PolarHBondContact OE2-NE 3.4Å; E572-R603 VanDerWaalsContact OE2-NE 3.15Å; E572-R603 IonicContact OE2-NH2 2.72Å; E572-R603 PolarHBondContact OE2-NH2 2.84Å; E572-Y609 HydrophobicContact CB-CD1 4.07Å; E572-Y609 HydrophobicContact CB-CG 4.37Å
573T95.5Very high96.4Very high49 Ų4936.1 Ų36.130%0.30119%0.187SC..Hα-helixtrans-70.5-50.5177.339.20000112.2D526 V571 G575 L576 E577 K600D526-T573 WeakPolarHBondContact OD2-CG2 3.44Å; V571-T573 PolarHBondContact O-N 2.87Å; T573-G575 VanDerWaalsContact C-N 3.33Å; T573-L576 PolarHBondContact O-N 3.45Å; T573-E577 WeakPolarHBondContact O-CB 3.35Å; T573-E577 PolarHBondContact O-N 2.89Å; T573-K600 HydrophobicContact CG2-CD 3.67Å
574K95.3Very high96.4Very high51 Ų5134.8 Ų34.822%0.22218%0.184CC..Hα-helixtrans-64.7-38.2174-67.8-175.3-179176.70111.4S523 E527 V571 E577 Q578S523-K574 VanDerWaalsContact CB-CE 3.45Å; S523-K574 WeakPolarHBondContact OG-CE 3.03Å; S523-K574 PolarHBondContact OG-NZ 3.19Å; E527-K574 WeakPolarHBondContact OE1-CD 3.34Å; E527-K574 WeakPolarHBondContact OE1-CE 3.22Å; E527-K574 IonicContact OE1-NZ 3.51Å; E527-K574 PolarHBondContact OE1-NZ 2.77Å; E527-K574 IonicContact OE2-NZ 3.72Å; E527-K574 PolarHBondContact OE2-NZ 2.81Å; V571-K574 HydrophobicContact CG1-CB 4.02Å; V571-K574 HydrophobicContact CG1-CD 4.06Å; V571-K574 HydrophobicContact CG1-CG 3.83Å; V571-K574 PolarHBondContact O-N 3.16Å; K574-E577 PolarHBondContact O-N 3.3Å; K574-Q578 WeakPolarHBondContact O-CG 3.49Å; K574-Q578 PolarHBondContact O-N 3.34Å
575G96.4Very high96.4Very high0 Ų038.6 Ų38.60%020%0.202CC..Hα-helixtrans-61.1-43.6173.100000112.4V571 T573 L579V571-G575 PolarHBondContact O-N 3.48Å; T573-G575 VanDerWaalsContact C-N 3.33Å; G575-L579 WeakPolarHBondContact O-CB 3.42Å; G575-L579 PolarHBondContact O-N 3.19Å
576L96.3Very high96.5Very high78 Ų7837.9 Ų37.941%0.40820%0.199SC..Hα-helixtrans-68.7-36.1177.8-178.961.5000111.9E572 T573 L579 T580 F614E572-L576 WeakPolarHBondContact O-CB 3.07Å; E572-L576 PolarHBondContact O-N 3.29Å; T573-L576 PolarHBondContact O-N 3.45Å; L576-L579 HydrophobicContact CD1-CD2 4.32Å; L576-L579 PolarHBondContact O-N 3.46Å; L576-T580 HydrophobicContact CD1-CG2 4.38Å; L576-T580 WeakPolarHBondContact O-CG2 3.47Å; L576-T580 PolarHBondContact O-N 2.97Å; L576-T580 PolarHBondContact O-OG1 2.9Å; L576-F614 HydrophobicContact CB-CZ 4.35Å
577E96.2Very high96.5Very high75 Ų7537.2 Ų37.235%0.3520%0.196SC..Hα-helixtrans-62.7-47.1174.4-172.3-163.2167.200112T573 K574 L579 T580 K581T573-E577 WeakPolarHBondContact O-CB 3.35Å; T573-E577 PolarHBondContact O-N 2.89Å; K574-E577 PolarHBondContact O-N 3.3Å; E577-L579 VanDerWaalsContact C-N 3.3Å; E577-L579 PolarHBondContact O-N 2.95Å; E577-T580 PolarHBondContact O-N 3.36Å; E577-T580 PolarHBondContact O-OG1 3.46Å; E577-K581 HydrophobicContact CG-CD 3.96Å; E577-K581 HydrophobicContact CG-CG 4.45Å; E577-K581 WeakPolarHBondContact O-CB 3.45Å; E577-K581 WeakPolarHBondContact O-CG 3.4Å; E577-K581 PolarHBondContact O-N 2.96Å; E577-K581 WeakPolarHBondContact OE1-CE 3.35Å; E577-K581 IonicContact OE1-NZ 3.73Å; E577-K581 PolarHBondContact OE1-NZ 3.21Å
578Q96.6Very high96.5Very high36 Ų3638.7 Ų38.717%0.16820%0.203CC..Hα-helixtrans-63.3-38175-64.3-57.3-50.900111.4F555 F570 K574 T580 S582 F586F555-Q578 HydrophobicContact CE2-CB 4.21Å; F555-Q578 VanDerWaalsContact CE2-OE1 3.22Å; F555-Q578 HydrophobicContact CZ-CB 4.1Å; F555-Q578 HydrophobicContact CZ-CG 4.43Å; F570-Q578 HydrophobicContact CE1-CG 4.4Å; K574-Q578 WeakPolarHBondContact O-CG 3.49Å; K574-Q578 PolarHBondContact O-N 3.34Å; Q578-T580 VanDerWaalsContact C-N 3.34Å; Q578-T580 PolarHBondContact O-N 2.99Å; Q578-S582 CarbonylContact O-C 3.5Å; Q578-S582 VanDerWaalsContact O-C 3.31Å; Q578-S582 WeakPolarHBondContact O-CA 3.26Å; Q578-S582 PolarHBondContact O-N 3.29Å; Q578-F586 HydrophobicContact CB-CD1 3.95Å; Q578-F586 HydrophobicContact CB-CE1 3.91Å
579L95.8Very high96.5Very high6 Ų639.2 Ų39.23%0.03121%0.205CC..Hα-helixtrans-64.8-31.7174.6175.259000113.3G575 L576 E577 P583 F586 L613 F614 A617 P664 F665G575-L579 WeakPolarHBondContact O-CB 3.42Å; G575-L579 PolarHBondContact O-N 3.19Å; L576-L579 HydrophobicContact CD1-CD2 4.32Å; L576-L579 PolarHBondContact O-N 3.46Å; E577-L579 VanDerWaalsContact C-N 3.3Å; E577-L579 PolarHBondContact O-N 2.95Å; L579-P583 HydrophobicContact CD1-CB 4.4Å; L579-P583 WeakPolarHBondContact O-CB 3.36Å; L579-F586 HydrophobicContact CB-CD1 4.47Å; L579-L613 HydrophobicContact CD2-CB 4.32Å; L579-L613 VanDerWaalsContact CD2-O 3.3Å; L579-L613 WeakPolarHBondContact CD2-O 3.3Å; L579-F614 HydrophobicContact CD2-CD1 4.49Å; L579-F614 HydrophobicContact CD2-CE1 4.44Å; L579-A617 HydrophobicContact CD1-CB 4.07Å; L579-P664 HydrophobicContact CD1-CG 4.39Å; L579-F665 HydrophobicContact CD1-CE2 3.76Å; L579-F665 HydrophobicContact CD1-CZ 4.14Å; L579-F665 HydrophobicContact CG-CE2 4.19Å; L579-F665 HydrophobicContact CG-CZ 4.15Å; L579-F665 WeakPolarHBondContact O-CE2 3.45Å
580T94Very high96.5Very high96 Ų9637.3 Ų37.359%0.58919%0.191SC*.Hα-helixtrans-91.1-27.7178.455.50000114L576 E577 Q578L576-T580 HydrophobicContact CD1-CG2 4.38Å; L576-T580 WeakPolarHBondContact O-CG2 3.47Å; L576-T580 PolarHBondContact O-N 2.97Å; L576-T580 PolarHBondContact O-OG1 2.9Å; E577-T580 PolarHBondContact O-N 3.36Å; E577-T580 PolarHBondContact O-OG1 3.46Å; Q578-T580 VanDerWaalsContact C-N 3.34Å; Q578-T580 PolarHBondContact O-N 2.99Å
581K95.5Very high96.5Very high142 Ų14237.1 Ų37.162%0.61719%0.19SC*.Hα-helixtrans-84.3-40.1176.8-70-176.3176.7176.60113.3E577E577-K581 HydrophobicContact CG-CD 3.96Å; E577-K581 HydrophobicContact CG-CG 4.45Å; E577-K581 WeakPolarHBondContact O-CB 3.45Å; E577-K581 WeakPolarHBondContact O-CG 3.4Å; E577-K581 PolarHBondContact O-N 2.96Å; E577-K581 WeakPolarHBondContact OE1-CE 3.35Å; E577-K581 IonicContact OE1-NZ 3.73Å; E577-K581 PolarHBondContact OE1-NZ 3.21Å
582S96.2Very high96.4Very high32 Ų3240.5 Ų40.522%0.22421%0.207CC..  trans-145.862-168.9-55.10000112.5Q578 V584 E585 F586Q578-S582 CarbonylContact O-C 3.5Å; Q578-S582 VanDerWaalsContact O-C 3.31Å; Q578-S582 WeakPolarHBondContact O-CA 3.26Å; Q578-S582 PolarHBondContact O-N 3.29Å; S582-V584 PolarHBondContact O-N 2.79Å; S582-E585 WeakPolarHBondContact CA-OE2 3.36Å; S582-E585 WeakPolarHBondContact CB-OE2 3.34Å; S582-F586 PolarHBondContact O-N 2.84Å; S582-F586 VanDerWaalsContact O-N 3.15Å
583P95.6Very high96.5Very high23 Ų2339.9 Ų39.915%0.14920%0.204CC..Hα-helixtrans-65.6-37.6-172.223.4-33.1000114.5L579 V587 P664 F665L579-P583 HydrophobicContact CD1-CB 4.4Å; L579-P583 WeakPolarHBondContact O-CB 3.36Å; P583-V587 WeakPolarHBondContact O-CG2 3.43Å; P583-V587 PolarHBondContact O-N 2.98Å; P583-P664 HydrophobicContact CB-CG 3.82Å; P583-F665 HydrophobicContact CB-CD2 3.9Å; P583-F665 HydrophobicContact CB-CE2 3.9Å; P583-F665 HydrophobicContact CG-CD2 4.14Å; P583-F665 HydrophobicContact CG-CE2 4.39Å
584V96.1Very high96.7Very high38 Ų3837.6 Ų37.623%0.2319%0.19CC..Hα-helixtrans-73.2-42.9-177.3-179.10000109.6S582 F586 V587 E588 D663S582-V584 PolarHBondContact O-N 2.79Å; V584-F586 VanDerWaalsContact C-N 3.26Å; V584-F586 PolarHBondContact O-N 2.95Å; V584-V587 WeakPolarHBondContact O-CB 3.46Å; V584-V587 PolarHBondContact O-N 3.03Å; V584-V587 VanDerWaalsContact O-N 3.09Å; V584-E588 WeakPolarHBondContact O-CG 3.3Å; V584-E588 PolarHBondContact O-N 3.09Å; V584-D663 HydrophobicContact CG2-CB 4.01Å
585E97.4Very high96.8Very high81 Ų8135.1 Ų35.138%0.37918%0.179SC..Hα-helixtrans-59.8-37.8177.3-61.368-152.100111.2F555 S582 E588 Y589F555-E585 HydrophobicContact CB-CB 4.02Å; F555-E585 HydrophobicContact CD2-CB 3.6Å; F555-E585 HydrophobicContact CE2-CB 4.25Å; F555-E585 HydrophobicContact CG-CB 3.87Å; S582-E585 WeakPolarHBondContact CA-OE2 3.36Å; S582-E585 WeakPolarHBondContact CB-OE2 3.34Å; E585-E588 PolarHBondContact O-N 3.32Å; E585-Y589 WeakPolarHBondContact O-CB 3.22Å; E585-Y589 PolarHBondContact O-N 2.88Å
586F98.1Very high96.9Very high0 Ų035.4 Ų35.40%018%0.18CC..Hα-helixtrans-67.6-39.6175.2-153.5171.6000112F555 F570 Q578 L579 S582 V584 Y589 N590 I597 A617 C619F555-F586 HydrophobicContact CE1-CB 4.15Å; F555-F586 AromaticContact CE1-CD2 3.73Å; F555-F586 HydrophobicContact CE1-CD2 3.73Å; F555-F586 HydrophobicContact CE1-CE2 4.37Å; F555-F586 HydrophobicContact CE1-CG 4.07Å; F555-F586 HydrophobicContact CE2-CB 4.21Å; F555-F586 HydrophobicContact CZ-CB 3.62Å; F555-F586 HydrophobicContact CZ-CD1 4.17Å; F555-F586 AromaticContact CZ-CD2 3.69Å; F555-F586 HydrophobicContact CZ-CD2 3.69Å; F555-F586 HydrophobicContact CZ-CE2 4.35Å; F555-F586 AromaticContact CZ-CG 3.58Å; F555-F586 HydrophobicContact CZ-CG 3.58Å; F570-F586 HydrophobicContact CE2-CE2 4.38Å; F570-F586 HydrophobicContact CE2-CZ 4.39Å; Q578-F586 HydrophobicContact CB-CD1 3.95Å; Q578-F586 HydrophobicContact CB-CE1 3.91Å; L579-F586 HydrophobicContact CB-CD1 4.47Å; S582-F586 PolarHBondContact O-N 2.84Å; S582-F586 VanDerWaalsContact O-N 3.15Å; V584-F586 VanDerWaalsContact C-N 3.26Å; V584-F586 PolarHBondContact O-N 2.95Å; F586-Y589 HydrophobicContact CD2-CD1 4.42Å; F586-N590 VanDerWaalsContact CD2-ND2 3.33Å; F586-N590 WeakPolarHBondContact CD2-ND2 3.43Å; F586-N590 WeakPolarHBondContact O-CB 3.44Å; F586-N590 VanDerWaalsContact O-CG 3.32Å; F586-N590 PolarHBondContact O-N 2.82Å; F586-N590 PolarHBondContact O-ND2 3.48Å; F586-N590 VanDerWaalsContact O-ND2 3.09Å; F586-I597 HydrophobicContact CZ-CD1 4.2Å; F586-A617 HydrophobicContact CD1-CB 4.14Å; F586-A617 HydrophobicContact CG-CB 4.33Å; F586-C619 VanDerWaalsContact CZ-SG 3.56Å
587V97.7Very high97Very high1 Ų131.7 Ų31.71%0.00616%0.161CC..Hα-helixtrans-63.4-44.6172.6173.70000111P583 V584 N590 K591 A617 F662 P664P583-V587 WeakPolarHBondContact O-CG2 3.43Å; P583-V587 PolarHBondContact O-N 2.98Å; V584-V587 WeakPolarHBondContact O-CB 3.46Å; V584-V587 PolarHBondContact O-N 3.03Å; V584-V587 VanDerWaalsContact O-N 3.09Å; V587-N590 PolarHBondContact O-N 2.98Å; V587-K591 PolarHBondContact O-N 3.18Å; V587-A617 WeakPolarHBondContact CA-O 3.41Å; V587-F662 HydrophobicContact CG1-CB 4.4Å; V587-F662 HydrophobicContact CG1-CD1 4.34Å; V587-F662 HydrophobicContact CG2-CD1 4.34Å; V587-P664 HydrophobicContact CG2-CG 4.39Å
588E97.3Very high97.1Very high31 Ų3129 Ų2915%0.14515%0.148CC..Hα-helixtrans-62.7-44177.2-65.4-51.2135.800112.4V584 E585 N590 K591 H661V584-E588 WeakPolarHBondContact O-CG 3.3Å; V584-E588 PolarHBondContact O-N 3.09Å; E585-E588 PolarHBondContact O-N 3.32Å; E588-N590 VanDerWaalsContact C-N 3.31Å; E588-N590 PolarHBondContact O-N 3.01Å; E588-K591 WeakPolarHBondContact O-CB 3.29Å; E588-K591 PolarHBondContact O-N 3.41Å; E588-K591 WeakPolarHBondContact OE1-CE 3.24Å; E588-K591 IonicContact OE1-NZ 2.65Å; E588-K591 PolarHBondContact OE1-NZ 3.48Å; E588-K591 WeakPolarHBondContact OE2-CD 3.25Å; E588-K591 WeakPolarHBondContact OE2-CE 3.31Å; E588-K591 IonicContact OE2-NZ 2.76Å; E588-K591 PolarHBondContact OE2-NZ 2.83Å; E588-H661 IonicContact OE1-CD2 2.73Å; E588-H661 IonicContact OE1-CG 2.76Å
589Y97.9Very high97.2Very high13 Ų1327.5 Ų27.55%0.05114%0.141CC..Hα-helixtrans-55.4-47.4172.5172.8-88.5000111.3F555 S568 E585 F586 K591 M592 Q593 L594F555-Y589 HydrophobicContact CD1-CD2 4.07Å; F555-Y589 AromaticContact CD1-CG 3.97Å; F555-Y589 HydrophobicContact CD1-CG 3.97Å; F555-Y589 HydrophobicContact CE1-CD1 4.45Å; F555-Y589 HydrophobicContact CE1-CD2 4.4Å; F555-Y589 AromaticContact CE1-CG 3.99Å; F555-Y589 HydrophobicContact CE1-CG 3.99Å; S568-Y589 PolarHBondContact N-OH 3.19Å; E585-Y589 WeakPolarHBondContact O-CB 3.22Å; E585-Y589 PolarHBondContact O-N 2.88Å; F586-Y589 HydrophobicContact CD2-CD1 4.42Å; Y589-K591 PolarHBondContact O-N 3.26Å; Y589-K591 VanDerWaalsContact O-N 3.14Å; Y589-M592 PolarHBondContact O-N 2.88Å; Y589-M592 VanDerWaalsContact O-N 3.14Å; Y589-Q593 HydrophobicContact CD1-CB 4.36Å; Y589-Q593 HydrophobicContact CD2-CB 4.21Å; Y589-Q593 HydrophobicContact CE1-CB 3.92Å; Y589-Q593 HydrophobicContact CE2-CB 3.78Å; Y589-Q593 VanDerWaalsContact CE2-CD 3.49Å; Y589-Q593 HydrophobicContact CE2-CG 4.21Å; Y589-Q593 HydrophobicContact CG-CB 4.49Å; Y589-Q593 PolarHBondContact O-N 2.79Å; Y589-L594 PolarHBondContact OH-O 3.21Å
590N98.3Very high97.1Very high0 Ų029.6 Ų29.60%015%0.15CC..Hα-helixtrans-70.6-3.6-178.3-77.1-36.9000114.5F586 V587 E588 S595 A617 G618 C619 Q620 K651F586-N590 VanDerWaalsContact CD2-ND2 3.33Å; F586-N590 WeakPolarHBondContact CD2-ND2 3.43Å; F586-N590 WeakPolarHBondContact O-CB 3.44Å; F586-N590 VanDerWaalsContact O-CG 3.32Å; F586-N590 PolarHBondContact O-N 2.82Å; F586-N590 PolarHBondContact O-ND2 3.48Å; F586-N590 VanDerWaalsContact O-ND2 3.09Å; V587-N590 PolarHBondContact O-N 2.98Å; E588-N590 VanDerWaalsContact C-N 3.31Å; E588-N590 PolarHBondContact O-N 3.01Å; N590-S595 WeakPolarHBondContact OD1-CB 3.38Å; N590-S595 PolarHBondContact OD1-OG 2.9Å; N590-A617 PolarHBondContact ND2-O 2.85Å; N590-G618 WeakPolarHBondContact CB-O 3.31Å; N590-C619 PolarHBondContact ND2-N 3.12Å; N590-C619 PolarHBondContact ND2-SG 2.92Å; N590-C619 VanDerWaalsContact ND2-SG 3.43Å; N590-Q620 PolarHBondContact O-NE2 2.98Å; N590-Q620 PolarHBondContact OD1-OE1 3.09Å; N590-K651 PolarHBondContact O-NZ 2.67Å
591K97.7Very high96.9Very high5 Ų527.1 Ų27.12%0.02214%0.144CC..Hα-helixtrans-76.1-44.7166.5-65173.4-172.4176.10111.2S323 V587 E588 Y589 R657 K660S323-K591 WeakPolarHBondContact CB-O 3.35Å; S323-K591 PolarHBondContact OG-O 3.49Å; V587-K591 PolarHBondContact O-N 3.18Å; E588-K591 WeakPolarHBondContact O-CB 3.29Å; E588-K591 PolarHBondContact O-N 3.41Å; E588-K591 WeakPolarHBondContact OE1-CE 3.24Å; E588-K591 IonicContact OE1-NZ 2.65Å; E588-K591 PolarHBondContact OE1-NZ 3.48Å; E588-K591 WeakPolarHBondContact OE2-CD 3.25Å; E588-K591 WeakPolarHBondContact OE2-CE 3.31Å; E588-K591 IonicContact OE2-NZ 2.76Å; E588-K591 PolarHBondContact OE2-NZ 2.83Å; Y589-K591 PolarHBondContact O-N 3.26Å; Y589-K591 VanDerWaalsContact O-N 3.14Å; K591-R657 VanDerWaalsContact CE-O 3.32Å; K591-R657 WeakPolarHBondContact CE-O 3.34Å; K591-R657 PolarHBondContact NZ-O 2.92Å; K591-K660 PolarHBondContact NZ-O 3.24Å
592M95.3Very high96.7Very high70 Ų7024.2 Ų24.235%0.34514%0.138SC..Hα-helixtrans-98.8-30.1-171.3-67-62-69.800114S564 Y589S564-M592 VanDerWaalsContact CA-O 3.3Å; S564-M592 WeakPolarHBondContact CA-O 3.49Å; S564-M592 WeakPolarHBondContact CB-O 3.04Å; S564-M592 PolarHBondContact OG-O 3.13Å; Y589-M592 PolarHBondContact O-N 2.88Å; Y589-M592 VanDerWaalsContact O-N 3.14Å
593Q98.1Very high96.6Very high10 Ų1025 Ų255%0.04714%0.136CC..SBendtrans-123.3166-173.9-67.1-179.4-102.900111.2K563 E566 Y589 Q620K563-Q593 PolarHBondContact O-NE2 3.43Å; E566-Q593 PolarHBondContact O-NE2 2.67Å; Y589-Q593 HydrophobicContact CD1-CB 4.36Å; Y589-Q593 HydrophobicContact CD2-CB 4.21Å; Y589-Q593 HydrophobicContact CE1-CB 3.92Å; Y589-Q593 HydrophobicContact CE2-CB 3.78Å; Y589-Q593 VanDerWaalsContact CE2-CD 3.49Å; Y589-Q593 HydrophobicContact CE2-CG 4.21Å; Y589-Q593 HydrophobicContact CG-CB 4.49Å; Y589-Q593 PolarHBondContact O-N 2.79Å; Q593-Q620 PolarHBondContact O-NE2 2.87Å
594L98.6Very high96.4Very high1 Ų127.2 Ų27.21%0.00515%0.149CC..  trans-95.6137174.6-65.3172.7000111.3L322 I327 L452 I547 M567 S568 Y589 Q620 M621L322-L594 HydrophobicContact CD2-CD1 4.18Å; I327-L594 HydrophobicContact CD1-CD2 4.5Å; L452-L594 HydrophobicContact CD1-CD1 3.95Å; L452-L594 HydrophobicContact CD1-CD2 4.23Å; L452-L594 HydrophobicContact CD1-CG 3.74Å; I547-L594 HydrophobicContact CD1-CD1 3.54Å; I547-L594 HydrophobicContact CG2-CD1 4.48Å; M567-L594 WeakPolarHBondContact CA-O 3.28Å; M567-L594 HydrophobicContact CB-CB 3.88Å; M567-L594 VanDerWaalsContact CB-O 3.31Å; M567-L594 WeakPolarHBondContact CB-O 3.47Å; S568-L594 PolarHBondContact N-O 3.37Å; Y589-L594 PolarHBondContact OH-O 3.21Å; L594-Q620 HydrophobicContact CD2-CB 3.9Å; L594-Q620 HydrophobicContact CD2-CG 3.69Å; L594-M621 HydrophobicContact CD1-SD 4.38Å
595S98.6Very high96.2Very high0 Ų030.4 Ų30.40%017%0.165CC..EExtended strand (participates in β ladder)trans-113.813916257.20000111.4S568 N590 C619 Q620 M621S568-S595 WeakPolarHBondContact O-CA 3.13Å; N590-S595 WeakPolarHBondContact OD1-CB 3.38Å; N590-S595 PolarHBondContact OD1-OG 2.9Å; S595-C619 VanDerWaalsContact OG-CA 3.3Å; S595-C619 WeakPolarHBondContact OG-CA 3.4Å; S595-C619 VanDerWaalsContact OG-CB 3.3Å; S595-C619 WeakPolarHBondContact OG-CB 3.49Å; S595-C619 PolarHBondContact OG-SG 3.49Å; S595-C619 VanDerWaalsContact OG-SG 3.4Å; S595-Q620 PolarHBondContact OG-OE1 2.97Å; S595-M621 PolarHBondContact O-N 3.42Å
596R98.6Very high96.2Very high5 Ų526.5 Ų26.52%0.01915%0.147CC..EExtended strand (participates in β ladder)trans-108133.1166.3-176.1-179.7-169-109.2-1.2109.8S330 E361 M567 S568 S569 F570 M621S330-R596 PolarHBondContact O-NH2 3.49Å; E361-R596 IonicContact OE1-CZ 2.71Å; E361-R596 IonicContact OE1-NH1 3.81Å; E361-R596 PolarHBondContact OE1-NH1 3.18Å; E361-R596 IonicContact OE1-NH2 2.69Å; E361-R596 PolarHBondContact OE1-NH2 3.47Å; E361-R596 IonicContact OE2-CZ 2.76Å; E361-R596 IonicContact OE2-NH1 3.65Å; E361-R596 PolarHBondContact OE2-NH1 2.93Å; E361-R596 IonicContact OE2-NH2 3.13Å; E361-R596 PolarHBondContact OE2-NH2 2.94Å; M567-R596 HydrophobicContact CE-CB 3.95Å; S568-R596 PolarHBondContact O-N 2.95Å; S569-R596 CarbonylContact C-O 3.59Å; S569-R596 WeakPolarHBondContact CA-O 3.04Å; F570-R596 PolarHBondContact N-O 3.06Å; R596-M621 VanDerWaalsContact CA-O 3.3Å; R596-M621 WeakPolarHBondContact CA-O 3.19Å; R596-M621 HydrophobicContact CB-CB 3.89Å; R596-M621 HydrophobicContact CG-CB 3.95Å; R596-M621 WeakPolarHBondContact CG-O 3.49Å
597I98.6Very high96.1Very high0 Ų027.7 Ų27.70%016%0.155CC..EExtended strand (participates in β ladder)trans-113.7135.3172.7-47.5-60.8000108.5F570 F586 Y609 F614 C619 M621 A623F570-I597 HydrophobicContact CB-CD1 3.99Å; F570-I597 HydrophobicContact CD2-CD1 4.1Å; F570-I597 HydrophobicContact CG-CD1 4.38Å; F570-I597 WeakPolarHBondContact O-CA 3.46Å; F586-I597 HydrophobicContact CZ-CD1 4.2Å; I597-Y609 HydrophobicContact CG2-CE2 4.36Å; I597-Y609 PolarHBondContact O-OH 3.5Å; I597-F614 HydrophobicContact CB-CD2 4.4Å; I597-F614 HydrophobicContact CB-CG 4.37Å; I597-F614 HydrophobicContact CD1-CD1 4.22Å; I597-F614 HydrophobicContact CG1-CB 3.99Å; I597-F614 HydrophobicContact CG1-CD1 4.04Å; I597-F614 HydrophobicContact CG1-CD2 4.39Å; I597-F614 HydrophobicContact CG1-CG 3.86Å; I597-F614 HydrophobicContact CG2-CD1 4.31Å; I597-F614 HydrophobicContact CG2-CD2 3.82Å; I597-F614 HydrophobicContact CG2-CE1 4.29Å; I597-F614 HydrophobicContact CG2-CE2 3.76Å; I597-F614 HydrophobicContact CG2-CG 4.08Å; I597-F614 HydrophobicContact CG2-CZ 4.01Å; I597-C619 HydrophobicContact CD1-CB 4.44Å; I597-C619 HydrophobicContact CG1-CB 3.94Å; I597-M621 PolarHBondContact N-O 3.27Å; I597-A623 WeakPolarHBondContact O-CA 3.3Å; I597-A623 VanDerWaalsContact O-CB 3.26Å; I597-A623 WeakPolarHBondContact O-CB 3.41Å; I597-A623 PolarHBondContact O-N 3.17Å
598Y98.1Very high96.1Very high19 Ų1928.3 Ų28.38%0.07516%0.158CC..EExtended strand (participates in β ladder)trans-133.6153.5178.364.4-86.1000112.7A530 F570 V571 E572A530-Y598 HydrophobicContact CB-CE2 4.41Å; F570-Y598 WeakPolarHBondContact O-CD1 3.44Å; F570-Y598 PolarHBondContact O-N 2.99Å; V571-Y598 CarbonylContact C-O 3.55Å; V571-Y598 HydrophobicContact CB-CE1 4.34Å; V571-Y598 HydrophobicContact CB-CE2 3.87Å; V571-Y598 HydrophobicContact CG2-CE2 4.2Å; V571-Y598 VanDerWaalsContact N-CE1 3.32Å; E572-Y598 PolarHBondContact N-O 2.84Å
599P97.6Very high96.1Very high4 Ų427.2 Ų27.23%0.02615%0.152CC..  trans-66.8148.6-179.4-11.226.8000111.5H331 E572 Y609H331-P599 HydrophobicContact CB-CG 4.27Å; E572-P599 WeakPolarHBondContact OE1-CA 3.5Å; P599-Y609 HydrophobicContact CB-CD1 4.13Å; P599-Y609 HydrophobicContact CB-CE1 4.23Å; P599-Y609 HydrophobicContact CG-CD1 4.13Å; P599-Y609 HydrophobicContact CG-CE1 3.82Å
600K94.7Very high96.1Very high50 Ų5028.3 Ų28.322%0.21716%0.158CC..  trans-79.2152.6179.972.8-157.5-154.5120.90113.6D526 V571 E572 T573 T602 R603D526-K600 HydrophobicContact CB-CB 4.28Å; D526-K600 WeakPolarHBondContact OD2-CD 3.43Å; D526-K600 IonicContact OD2-NZ 2.74Å; D526-K600 PolarHBondContact OD2-NZ 2.82Å; V571-K600 HydrophobicContact CG2-CB 3.47Å; V571-K600 VanDerWaalsContact CG2-CB 3.47Å; E572-K600 HydrophobicContact CG-CB 4.21Å; E572-K600 HydrophobicContact CG-CD 3.83Å; E572-K600 HydrophobicContact CG-CG 4.29Å; E572-K600 WeakPolarHBondContact OE1-CG 3.25Å; E572-K600 PolarHBondContact OE1-N 2.99Å; T573-K600 HydrophobicContact CG2-CD 3.67Å; K600-T602 VanDerWaalsContact CE-OG1 3.29Å; K600-T602 WeakPolarHBondContact CE-OG1 3.42Å; K600-T602 PolarHBondContact O-N 3.31Å; K600-R603 HydrophobicContact CG-CG 4.42Å; K600-R603 WeakPolarHBondContact O-CB 3.49Å; K600-R603 PolarHBondContact O-N 2.92Å
601G89.8Confident96.1Very high45 Ų4528.3 Ų28.346%0.46416%0.158SC..THydrogen-bonded Turntrans-56.7-21.4-175.200000115.8D526 R603D526-G601 PolarHBondContact O-N 3.43Å; G601-R603 PolarHBondContact O-N 3.02Å
602T90.9Very high96.1Very high81 Ų8128.4 Ų28.450%0.49716%0.159SC..THydrogen-bonded Turntrans-68.7-11.717680.60000113.9D526 K600 V604D526-T602 VanDerWaalsContact OD1-CG2 3.3Å; D526-T602 WeakPolarHBondContact OD1-CG2 3.5Å; K600-T602 VanDerWaalsContact CE-OG1 3.29Å; K600-T602 WeakPolarHBondContact CE-OG1 3.42Å; K600-T602 PolarHBondContact O-N 3.31Å; T602-V604 PolarHBondContact O-N 3.36Å
603R93.6Very high96.1Very high48 Ų4828.5 Ų28.518%0.18116%0.161CC..  trans-83.156.2178.3-66.4175.6172.6-87.910.6111.6Q339 E572 K600 G601 D605 S606 S607 N608Q339-R603 WeakPolarHBondContact CG-O 3.36Å; E572-R603 VanDerWaalsContact CD-NE 3.34Å; E572-R603 VanDerWaalsContact OE1-CD 3.28Å; E572-R603 WeakPolarHBondContact OE1-CD 3.2Å; E572-R603 IonicContact OE1-CZ 2.83Å; E572-R603 IonicContact OE1-NE 3.73Å; E572-R603 PolarHBondContact OE1-NE 2.96Å; E572-R603 IonicContact OE1-NH2 2.75Å; E572-R603 IonicContact OE2-CZ 3.58Å; E572-R603 IonicContact OE2-NE 3.3Å; E572-R603 PolarHBondContact OE2-NE 3.4Å; E572-R603 VanDerWaalsContact OE2-NE 3.15Å; E572-R603 IonicContact OE2-NH2 2.72Å; E572-R603 PolarHBondContact OE2-NH2 2.84Å; K600-R603 HydrophobicContact CG-CG 4.42Å; K600-R603 WeakPolarHBondContact O-CB 3.49Å; K600-R603 PolarHBondContact O-N 2.92Å; G601-R603 PolarHBondContact O-N 3.02Å; R603-D605 PolarHBondContact O-N 3.33Å; R603-D605 VanDerWaalsContact O-N 3.1Å; R603-S606 PolarHBondContact O-N 3.08Å; R603-S607 WeakPolarHBondContact CD-O 3.33Å; R603-S607 PolarHBondContact NH1-OG 3.33Å; R603-N608 VanDerWaalsContact NH1-C 3.28Å; R603-N608 PolarHBondContact NH1-O 3.02Å; R603-N608 PolarHBondContact NH2-O 2.9Å
604V92.4Very high96.1Very high69 Ų6928.2 Ų28.242%0.41816%0.159SC..THydrogen-bonded Turntrans-61.9-19.3-176.3-61.50000113.6Q339 L340 T602 S606Q339-V604 PolarHBondContact N-O 2.62Å; L340-V604 HydrophobicContact CD1-CB 3.92Å; L340-V604 HydrophobicContact CD1-CG1 3.8Å; L340-V604 HydrophobicContact CD2-CG1 4.32Å; L340-V604 HydrophobicContact CG-CB 4.03Å; L340-V604 HydrophobicContact CG-CG1 3.98Å; T602-V604 PolarHBondContact O-N 3.36Å; V604-S606 VanDerWaalsContact C-N 3.3Å
605D92.2Very high96.1Very high105 Ų10528.2 Ų28.256%0.56116%0.159SC*.THydrogen-bonded Turntrans-82-1.5173.967.4-17.9000114.1R603 S607R603-D605 PolarHBondContact O-N 3.33Å; R603-D605 VanDerWaalsContact O-N 3.1Å; D605-S607 PolarHBondContact O-N 3.24Å; D605-S607 WeakPolarHBondContact OD1-CB 3.37Å; D605-S607 PolarHBondContact OD1-N 2.62Å; D605-S607 PolarHBondContact OD1-OG 2.97Å; D605-S607 WeakPolarHBondContact OD2-CB 3.27Å; D605-S607 PolarHBondContact OD2-OG 2.61Å
606S95.5Very high96.1Very high0 Ų028.6 Ų28.60%016%0.161CC..  trans62.423.8-171.8-55.30000114.1A337 G338 Q339 R603 V604 N625 Q627 T628A337-S606 PolarHBondContact O-OG 3.37Å; G338-S606 WeakPolarHBondContact CA-OG 3.45Å; Q339-S606 PolarHBondContact NE2-OG 3.28Å; R603-S606 PolarHBondContact O-N 3.08Å; V604-S606 VanDerWaalsContact C-N 3.3Å; S606-N625 VanDerWaalsContact O-CB 3.25Å; S606-N625 WeakPolarHBondContact O-CB 3.33Å; S606-N625 PolarHBondContact O-ND2 3.02Å; S606-N625 VanDerWaalsContact O-ND2 3.13Å; S606-Q627 PolarHBondContact OG-NE2 2.9Å; S606-T628 WeakPolarHBondContact CB-OG1 3.27Å; S606-T628 WeakPolarHBondContact O-CB 3.4Å; S606-T628 PolarHBondContact O-OG1 2.91Å
607S97.1Very high96Very high24 Ų2428.3 Ų28.317%0.16816%0.16CC..PPolyproline II helixtrans-59.8155.8170.855.90000112.6R603 D605 N625R603-S607 WeakPolarHBondContact CD-O 3.33Å; R603-S607 PolarHBondContact NH1-OG 3.33Å; D605-S607 PolarHBondContact O-N 3.24Å; D605-S607 WeakPolarHBondContact OD1-CB 3.37Å; D605-S607 PolarHBondContact OD1-N 2.62Å; D605-S607 PolarHBondContact OD1-OG 2.97Å; D605-S607 WeakPolarHBondContact OD2-CB 3.27Å; D605-S607 PolarHBondContact OD2-OG 2.61Å; S607-N625 PolarHBondContact O-ND2 3.25Å; S607-N625 VanDerWaalsContact O-ND2 3.11Å
608N98Very high96Very high14 Ų1428.4 Ų28.48%0.07516%0.161CC..PPolyproline II helixtrans-102.3159.7176.8-66.7-56.5000113.3R603 L624 N625 T628 D630 A632R603-N608 VanDerWaalsContact NH1-C 3.28Å; R603-N608 PolarHBondContact NH1-O 3.02Å; R603-N608 PolarHBondContact NH2-O 2.9Å; N608-L624 HydrophobicContact CB-CD2 4.16Å; N608-N625 WeakPolarHBondContact OD1-CB 3.36Å; N608-N625 PolarHBondContact OD1-N 3.07Å; N608-T628 PolarHBondContact ND2-O 3.34Å; N608-D630 VanDerWaalsContact CB-OD2 3.29Å; N608-D630 WeakPolarHBondContact CB-OD2 3.43Å; N608-D630 PolarHBondContact N-OD2 2.9Å; N608-D630 PolarHBondContact ND2-OD1 3.37Å; N608-D630 PolarHBondContact ND2-OD2 2.83Å; N608-A632 HydrophobicContact CB-CB 3.64Å
609Y97.7Very high96Very high8 Ų827.5 Ų27.53%0.03116%0.157CC..PPolyproline II helixtrans-89.8167.5161.360.8-95.1000110.1E572 I597 P599 P611 F614 V622 A623 L624 A632E572-Y609 HydrophobicContact CB-CD1 4.07Å; E572-Y609 HydrophobicContact CB-CG 4.37Å; I597-Y609 HydrophobicContact CG2-CE2 4.36Å; I597-Y609 PolarHBondContact O-OH 3.5Å; P599-Y609 HydrophobicContact CB-CD1 4.13Å; P599-Y609 HydrophobicContact CB-CE1 4.23Å; P599-Y609 HydrophobicContact CG-CD1 4.13Å; P599-Y609 HydrophobicContact CG-CE1 3.82Å; Y609-P611 VanDerWaalsContact O-CD 3.26Å; Y609-P611 WeakPolarHBondContact O-CD 3.44Å; Y609-F614 AromaticContact CD2-CD2 3.79Å; Y609-F614 HydrophobicContact CD2-CD2 3.79Å; Y609-F614 AromaticContact CD2-CE2 3.58Å; Y609-F614 HydrophobicContact CD2-CE2 3.58Å; Y609-F614 AromaticContact CE2-CD2 3.53Å; Y609-F614 HydrophobicContact CE2-CD2 3.53Å; Y609-F614 AromaticContact CE2-CE2 3.7Å; Y609-F614 HydrophobicContact CE2-CE2 3.7Å; Y609-F614 HydrophobicContact CG-CE2 4.34Å; Y609-V622 HydrophobicContact CE2-CG1 3.56Å; Y609-V622 VanDerWaalsContact OH-CG1 3.28Å; Y609-V622 WeakPolarHBondContact OH-CG1 3.3Å; Y609-A623 WeakPolarHBondContact CE1-O 3.4Å; Y609-A623 PolarHBondContact OH-N 2.9Å; Y609-A623 VanDerWaalsContact OH-N 3.15Å; Y609-A623 PolarHBondContact OH-O 3.32Å; Y609-L624 HydrophobicContact CD1-CD2 4.46Å; Y609-L624 HydrophobicContact CD2-CD2 4.41Å; Y609-L624 HydrophobicContact CE1-CD2 4.01Å; Y609-L624 HydrophobicContact CE2-CD2 3.96Å; Y609-A632 WeakPolarHBondContact O-CB 3.23Å
610M97.4Very high96Very high36 Ų3627.3 Ų27.318%0.17716%0.156CC..  trans-78.8110.1178.717956.160.700110.5Q612 L613 L631 I635 F702M610-Q612 VanDerWaalsContact C-N 3.26Å; M610-Q612 HydrophobicContact CG-CB 4.08Å; M610-Q612 PolarHBondContact O-N 2.94Å; M610-Q612 HydrophobicContact SD-CB 4.22Å; M610-L613 HydrophobicContact CB-CD1 4.17Å; M610-L613 HydrophobicContact CB-CG 4.21Å; M610-L613 HydrophobicContact CG-CG 4.37Å; M610-L613 WeakPolarHBondContact O-CG 3.42Å; M610-L613 PolarHBondContact O-N 2.95Å; M610-L631 HydrophobicContact CE-CD2 4.04Å; M610-L631 HydrophobicContact CE-CG 4.16Å; M610-I635 HydrophobicContact CE-CD1 3.83Å; M610-I635 HydrophobicContact SD-CD1 3.68Å; M610-F702 HydrophobicContact CE-CD1 4.3Å; M610-F702 HydrophobicContact CE-CE1 3.89Å; M610-F702 HydrophobicContact SD-CD1 4.17Å; M610-F702 HydrophobicContact SD-CE1 4.36Å
611P97.9Very high96.2Very high0 Ų025 Ų250%015%0.146CC..THydrogen-bonded Turntrans-67.1-27.7-171.427.9-37.9000113.2Y609 L613 F614 W615 V622 L624Y609-P611 VanDerWaalsContact O-CD 3.26Å; Y609-P611 WeakPolarHBondContact O-CD 3.44Å; P611-L613 PolarHBondContact O-N 3.45Å; P611-L613 VanDerWaalsContact O-N 3.1Å; P611-F614 PolarHBondContact O-N 3.39Å; P611-W615 HydrophobicContact CB-CD2 4.2Å; P611-W615 HydrophobicContact CB-CE3 4.23Å; P611-W615 HydrophobicContact CB-CH2 3.62Å; P611-W615 HydrophobicContact CB-CZ2 3.58Å; P611-W615 HydrophobicContact CB-CZ3 3.96Å; P611-W615 HydrophobicContact CG-CE3 4.36Å; P611-W615 HydrophobicContact CG-CH2 3.45Å; P611-W615 VanDerWaalsContact CG-CH2 3.45Å; P611-W615 HydrophobicContact CG-CZ2 3.96Å; P611-W615 HydrophobicContact CG-CZ3 3.69Å; P611-W615 PolarHBondContact O-N 3.22Å; P611-V622 HydrophobicContact CB-CG1 3.64Å; P611-L624 HydrophobicContact CB-CD1 4.28Å; P611-L624 HydrophobicContact CG-CD1 4.15Å
612Q97Very high96.6Very high8 Ų822.9 Ų22.94%0.03712%0.124CC..Hα-helixtrans-51.2-35176.6-169.268.251.700113.2M610 F614 W615 N616 F702 G703M610-Q612 VanDerWaalsContact C-N 3.26Å; M610-Q612 HydrophobicContact CG-CB 4.08Å; M610-Q612 PolarHBondContact O-N 2.94Å; M610-Q612 HydrophobicContact SD-CB 4.22Å; Q612-F614 PolarHBondContact O-N 3.12Å; Q612-W615 HydrophobicContact CB-CE3 4.46Å; Q612-W615 PolarHBondContact O-N 3.23Å; Q612-N616 PolarHBondContact NE2-OD1 2.68Å; Q612-N616 WeakPolarHBondContact O-CB 3.34Å; Q612-N616 PolarHBondContact O-N 3.42Å; Q612-N616 PolarHBondContact O-ND2 3.35Å; Q612-N616 PolarHBondContact O-OD1 2.74Å; Q612-F702 HydrophobicContact CG-CB 4.46Å; Q612-G703 WeakPolarHBondContact CG-O 3.04Å
613L96.4Very high97Very high71 Ų7119 Ų1937%0.37210%0.1SC..Hα-helixtrans-55.2-41.2178.3-62.8174.1000111.6L579 M610 P611L579-L613 HydrophobicContact CD2-CB 4.32Å; L579-L613 VanDerWaalsContact CD2-O 3.3Å; L579-L613 WeakPolarHBondContact CD2-O 3.3Å; M610-L613 HydrophobicContact CB-CD1 4.17Å; M610-L613 HydrophobicContact CB-CG 4.21Å; M610-L613 HydrophobicContact CG-CG 4.37Å; M610-L613 WeakPolarHBondContact O-CG 3.42Å; M610-L613 PolarHBondContact O-N 2.95Å; P611-L613 PolarHBondContact O-N 3.45Å; P611-L613 VanDerWaalsContact O-N 3.1Å
614F98.4Very high97.3Very high4 Ų416.7 Ų16.72%0.0189%0.092CC..Hα-helixtrans-92.3-28.3-176.6-58.3-65.2000112.5L576 L579 I597 Y609 P611 Q612 N616 A617 G618 C619 V622L576-F614 HydrophobicContact CB-CZ 4.35Å; L579-F614 HydrophobicContact CD2-CD1 4.49Å; L579-F614 HydrophobicContact CD2-CE1 4.44Å; I597-F614 HydrophobicContact CB-CD2 4.4Å; I597-F614 HydrophobicContact CB-CG 4.37Å; I597-F614 HydrophobicContact CD1-CD1 4.22Å; I597-F614 HydrophobicContact CG1-CB 3.99Å; I597-F614 HydrophobicContact CG1-CD1 4.04Å; I597-F614 HydrophobicContact CG1-CD2 4.39Å; I597-F614 HydrophobicContact CG1-CG 3.86Å; I597-F614 HydrophobicContact CG2-CD1 4.31Å; I597-F614 HydrophobicContact CG2-CD2 3.82Å; I597-F614 HydrophobicContact CG2-CE1 4.29Å; I597-F614 HydrophobicContact CG2-CE2 3.76Å; I597-F614 HydrophobicContact CG2-CG 4.08Å; I597-F614 HydrophobicContact CG2-CZ 4.01Å; Y609-F614 AromaticContact CD2-CD2 3.79Å; Y609-F614 HydrophobicContact CD2-CD2 3.79Å; Y609-F614 AromaticContact CD2-CE2 3.58Å; Y609-F614 HydrophobicContact CD2-CE2 3.58Å; Y609-F614 AromaticContact CE2-CD2 3.53Å; Y609-F614 HydrophobicContact CE2-CD2 3.53Å; Y609-F614 AromaticContact CE2-CE2 3.7Å; Y609-F614 HydrophobicContact CE2-CE2 3.7Å; Y609-F614 HydrophobicContact CG-CE2 4.34Å; P611-F614 PolarHBondContact O-N 3.39Å; Q612-F614 PolarHBondContact O-N 3.12Å; F614-N616 VanDerWaalsContact C-N 3.26Å; F614-N616 PolarHBondContact O-N 2.83Å; F614-A617 CarbonylContact O-C 3.58Å; F614-A617 WeakPolarHBondContact O-CB 3.48Å; F614-A617 PolarHBondContact O-N 3.27Å; F614-A617 VanDerWaalsContact O-N 3.09Å; F614-G618 PolarHBondContact O-N 3.01Å; F614-C619 HydrophobicContact CB-CB 3.92Å; F614-C619 WeakPolarHBondContact O-CB 3.45Å; F614-C619 PolarHBondContact O-N 3.24Å; F614-C619 PolarHBondContact O-SG 3.22Å; F614-V622 HydrophobicContact CB-CG1 4.25Å; F614-V622 HydrophobicContact CB-CG2 3.85Å; F614-V622 HydrophobicContact CD2-CG1 4.44Å
615W98.4Very high97.5Very high2 Ų213.5 Ų13.51%0.0087%0.072CC..Hα-helixtrans-62.8-33.7167.2-63.2-31.2000112.2F326 P611 Q612 A617 G618 I635 N636 M639 Y640 M655F326-W615 HydrophobicContact CD1-CB 4.18Å; F326-W615 AromaticContact CD1-CD1 3.47Å; F326-W615 VanDerWaalsContact CD1-CD1 3.47Å; F326-W615 HydrophobicContact CD1-CG 4.02Å; F326-W615 HydrophobicContact CE1-CB 3.75Å; F326-W615 AromaticContact CE1-CD1 3.91Å; F326-W615 HydrophobicContact CE1-CG 4.1Å; F326-W615 VanDerWaalsContact CE1-O 3.31Å; F326-W615 WeakPolarHBondContact CE1-O 3.41Å; F326-W615 HydrophobicContact CG-CG 4.49Å; F326-W615 HydrophobicContact CZ-CB 4.03Å; F326-W615 WeakPolarHBondContact CZ-O 3.48Å; P611-W615 HydrophobicContact CB-CD2 4.2Å; P611-W615 HydrophobicContact CB-CE3 4.23Å; P611-W615 HydrophobicContact CB-CH2 3.62Å; P611-W615 HydrophobicContact CB-CZ2 3.58Å; P611-W615 HydrophobicContact CB-CZ3 3.96Å; P611-W615 HydrophobicContact CG-CE3 4.36Å; P611-W615 HydrophobicContact CG-CH2 3.45Å; P611-W615 VanDerWaalsContact CG-CH2 3.45Å; P611-W615 HydrophobicContact CG-CZ2 3.96Å; P611-W615 HydrophobicContact CG-CZ3 3.69Å; P611-W615 PolarHBondContact O-N 3.22Å; Q612-W615 HydrophobicContact CB-CE3 4.46Å; Q612-W615 PolarHBondContact O-N 3.23Å; W615-A617 VanDerWaalsContact C-N 3.25Å; W615-A617 PolarHBondContact O-N 2.84Å; W615-G618 PolarHBondContact O-N 2.97Å; W615-I635 HydrophobicContact CH2-CG2 4.33Å; W615-I635 HydrophobicContact CZ3-CG2 3.85Å; W615-N636 HydrophobicContact CH2-CB 4.5Å; W615-M639 HydrophobicContact CD2-CE 4.27Å; W615-M639 HydrophobicContact CD2-SD 3.83Å; W615-M639 HydrophobicContact CE3-CE 4.39Å; W615-M639 HydrophobicContact CE3-SD 3.62Å; W615-M639 HydrophobicContact CH2-CB 4.46Å; W615-M639 HydrophobicContact CH2-SD 3.43Å; W615-M639 WeakPolarHBondContact CH2-SD 3.25Å; W615-M639 HydrophobicContact CZ2-SD 3.62Å; W615-M639 HydrophobicContact CZ3-SD 3.42Å; W615-M639 WeakPolarHBondContact CZ3-SD 3.16Å; W615-Y640 HydrophobicContact CZ2-CE2 4.14Å; W615-M655 WeakPolarHBondContact O-CE 3.43Å
616N96.9Very high97.8Very high7 Ų78.6 Ų8.64%0.0375%0.046CC..Hα-helixtrans-62.1-31.8171.7-65-13.7000112.5Q612 F614 G618 M655 P664 G703 L704 L742Q612-N616 PolarHBondContact NE2-OD1 2.68Å; Q612-N616 WeakPolarHBondContact O-CB 3.34Å; Q612-N616 PolarHBondContact O-N 3.42Å; Q612-N616 PolarHBondContact O-ND2 3.35Å; Q612-N616 PolarHBondContact O-OD1 2.74Å; F614-N616 VanDerWaalsContact C-N 3.26Å; F614-N616 PolarHBondContact O-N 2.83Å; N616-G618 VanDerWaalsContact C-N 3.28Å; N616-M655 WeakPolarHBondContact O-CE 3.29Å; N616-P664 HydrophobicContact CB-CB 4.17Å; N616-P664 WeakPolarHBondContact O-CB 3.4Å; N616-G703 PolarHBondContact ND2-O 3.15Å; N616-G703 PolarHBondContact OD1-O 3.02Å; N616-L704 HydrophobicContact CB-CD2 4.18Å; N616-L742 WeakPolarHBondContact OD1-CD2 3.4Å
617A97.3Very high97.7Very high0 Ų09.5 Ų9.50%05%0.05CC..THydrogen-bonded Turntrans-80.9-4.2172.400000113.6L579 F586 V587 N590 F614 W615L579-A617 HydrophobicContact CD1-CB 4.07Å; F586-A617 HydrophobicContact CD1-CB 4.14Å; F586-A617 HydrophobicContact CG-CB 4.33Å; V587-A617 WeakPolarHBondContact CA-O 3.41Å; N590-A617 PolarHBondContact ND2-O 2.85Å; F614-A617 CarbonylContact O-C 3.58Å; F614-A617 WeakPolarHBondContact O-CB 3.48Å; F614-A617 PolarHBondContact O-N 3.27Å; F614-A617 VanDerWaalsContact O-N 3.09Å; W615-A617 VanDerWaalsContact C-N 3.25Å; W615-A617 PolarHBondContact O-N 2.84Å
618G97.8Very high97.6Very high1 Ų19.9 Ų9.91%0.015%0.051CC..THydrogen-bonded Turntrans79.410.9-173.600000114.7N590 F614 W615 N616 Q620 K651N590-G618 WeakPolarHBondContact CB-O 3.31Å; F614-G618 PolarHBondContact O-N 3.01Å; W615-G618 PolarHBondContact O-N 2.97Å; N616-G618 VanDerWaalsContact C-N 3.28Å; G618-Q620 PolarHBondContact O-N 2.79Å; G618-K651 WeakPolarHBondContact O-CE 3.3Å; G618-K651 PolarHBondContact O-NZ 3.26Å
619C98.7Very high97.4Very high0 Ų010.9 Ų10.90%06%0.056CC..  trans-62.8129.5-179.8-55.90000110.6F326 F586 N590 S595 I597 F614 V622F326-C619 WeakPolarHBondContact CD1-O 3.47Å; F586-C619 VanDerWaalsContact CZ-SG 3.56Å; N590-C619 PolarHBondContact ND2-N 3.12Å; N590-C619 PolarHBondContact ND2-SG 2.92Å; N590-C619 VanDerWaalsContact ND2-SG 3.43Å; S595-C619 VanDerWaalsContact OG-CA 3.3Å; S595-C619 WeakPolarHBondContact OG-CA 3.4Å; S595-C619 VanDerWaalsContact OG-CB 3.3Å; S595-C619 WeakPolarHBondContact OG-CB 3.49Å; S595-C619 PolarHBondContact OG-SG 3.49Å; S595-C619 VanDerWaalsContact OG-SG 3.4Å; I597-C619 HydrophobicContact CD1-CB 4.44Å; I597-C619 HydrophobicContact CG1-CB 3.94Å; F614-C619 HydrophobicContact CB-CB 3.92Å; F614-C619 WeakPolarHBondContact O-CB 3.45Å; F614-C619 PolarHBondContact O-N 3.24Å; F614-C619 PolarHBondContact O-SG 3.22Å; C619-V622 HydrophobicContact CB-CG2 3.85Å; C619-V622 WeakPolarHBondContact O-CG2 3.37Å
620Q98.8Very high97.2Very high0 Ų012.5 Ų12.50%07%0.065CC..SBendtrans-84-50.8-170.9-5888.1-12.800111.8S323 Y325 I327 N590 Q593 L594 S595 G618 V622 K651S323-Q620 PolarHBondContact O-NE2 3.23Å; Y325-Q620 VanDerWaalsContact O-CB 3.3Å; Y325-Q620 WeakPolarHBondContact O-CB 3.38Å; Y325-Q620 WeakPolarHBondContact O-CG 3.02Å; I327-Q620 HydrophobicContact CD1-CB 4.13Å; I327-Q620 HydrophobicContact CG1-CB 4.17Å; I327-Q620 PolarHBondContact N-O 2.97Å; N590-Q620 PolarHBondContact O-NE2 2.98Å; N590-Q620 PolarHBondContact OD1-OE1 3.09Å; Q593-Q620 PolarHBondContact O-NE2 2.87Å; L594-Q620 HydrophobicContact CD2-CB 3.9Å; L594-Q620 HydrophobicContact CD2-CG 3.69Å; S595-Q620 PolarHBondContact OG-OE1 2.97Å; G618-Q620 PolarHBondContact O-N 2.79Å; Q620-V622 PolarHBondContact O-N 3.38Å; Q620-K651 VanDerWaalsContact NE2-NZ 3.17Å
621M98.6Very high97.1Very high1 Ų112.7 Ų12.71%0.0057%0.067CC..EExtended strand (participates in β ladder)trans-99.466.6-170.8-61.7162.969.700110.4I327 S329 C359 L408 M567 L594 S595 R596 I597 A623I327-M621 HydrophobicContact CB-CG 4.45Å; I327-M621 HydrophobicContact CD1-CG 4.23Å; S329-M621 VanDerWaalsContact OG-CA 3.31Å; S329-M621 WeakPolarHBondContact OG-CA 3.17Å; C359-M621 HydrophobicContact CB-CE 4.22Å; C359-M621 WeakPolarHBondContact SG-CE 3.3Å; L408-M621 HydrophobicContact CB-CE 4.25Å; L408-M621 HydrophobicContact CD1-CE 3.73Å; L408-M621 HydrophobicContact CD1-CG 4.16Å; L408-M621 HydrophobicContact CD1-SD 3.68Å; M567-M621 HydrophobicContact CE-CE 4.43Å; M567-M621 HydrophobicContact CE-SD 4.02Å; L594-M621 HydrophobicContact CD1-SD 4.38Å; S595-M621 PolarHBondContact O-N 3.42Å; R596-M621 VanDerWaalsContact CA-O 3.3Å; R596-M621 WeakPolarHBondContact CA-O 3.19Å; R596-M621 HydrophobicContact CB-CB 3.89Å; R596-M621 HydrophobicContact CG-CB 3.95Å; R596-M621 WeakPolarHBondContact CG-O 3.49Å; I597-M621 PolarHBondContact N-O 3.27Å; M621-A623 PolarHBondContact O-N 2.93Å; M621-A623 VanDerWaalsContact O-N 3.16Å
622V98.7Very high97.1Very high1 Ų113 Ų131%0.0067%0.069CC..EExtended strand (participates in β ladder)trans-82.791.4-178-175.80000109Y609 P611 F614 C619 Q620Y609-V622 HydrophobicContact CE2-CG1 3.56Å; Y609-V622 VanDerWaalsContact OH-CG1 3.28Å; Y609-V622 WeakPolarHBondContact OH-CG1 3.3Å; P611-V622 HydrophobicContact CB-CG1 3.64Å; F614-V622 HydrophobicContact CB-CG1 4.25Å; F614-V622 HydrophobicContact CB-CG2 3.85Å; F614-V622 HydrophobicContact CD2-CG1 4.44Å; C619-V622 HydrophobicContact CB-CG2 3.85Å; C619-V622 WeakPolarHBondContact O-CG2 3.37Å; Q620-V622 PolarHBondContact O-N 3.38Å
623A98.7Very high97.1Very high0 Ų012.6 Ų12.60%07%0.067CC..EExtended strand (participates in β ladder)trans-85.3131.5-166.500000113.6S329 H331 I597 Y609 M621S329-A623 WeakPolarHBondContact O-CA 3.22Å; H331-A623 HydrophobicContact CB-CB 4.01Å; I597-A623 WeakPolarHBondContact O-CA 3.3Å; I597-A623 VanDerWaalsContact O-CB 3.26Å; I597-A623 WeakPolarHBondContact O-CB 3.41Å; I597-A623 PolarHBondContact O-N 3.17Å; Y609-A623 WeakPolarHBondContact CE1-O 3.4Å; Y609-A623 PolarHBondContact OH-N 2.9Å; Y609-A623 VanDerWaalsContact OH-N 3.15Å; Y609-A623 PolarHBondContact OH-O 3.32Å; M621-A623 PolarHBondContact O-N 2.93Å; M621-A623 VanDerWaalsContact O-N 3.16Å
624L98.6Very high97.1Very high0 Ų09.9 Ų9.90%05%0.053CC..EExtended strand (participates in β ladder)trans-126.6160.8-175.4-59.6-179.7000113S329 S330 H331 N608 Y609 P611 F626 M633 N636S329-L624 PolarHBondContact O-N 2.86Å; S329-L624 VanDerWaalsContact O-N 3.08Å; S330-L624 WeakPolarHBondContact CA-O 3.36Å; H331-L624 PolarHBondContact N-O 3.46Å; N608-L624 HydrophobicContact CB-CD2 4.16Å; Y609-L624 HydrophobicContact CD1-CD2 4.46Å; Y609-L624 HydrophobicContact CD2-CD2 4.41Å; Y609-L624 HydrophobicContact CE1-CD2 4.01Å; Y609-L624 HydrophobicContact CE2-CD2 3.96Å; P611-L624 HydrophobicContact CB-CD1 4.28Å; P611-L624 HydrophobicContact CG-CD1 4.15Å; L624-F626 WeakPolarHBondContact O-CD2 3.45Å; L624-F626 PolarHBondContact O-N 3.19Å; L624-M633 HydrophobicContact CB-CE 3.49Å; L624-M633 VanDerWaalsContact CB-CE 3.49Å; L624-M633 HydrophobicContact CD1-CE 4Å; L624-M633 HydrophobicContact CG-CE 4.42Å; L624-N636 HydrophobicContact CD1-CB 3.79Å
625N98.1Very high97Very high1 Ų19.8 Ų9.81%0.0055%0.052CC..  trans-82.8100.3175.9-66.4-46000110.6H331 Q339 S606 S607 N608 Q627 T628H331-N625 PolarHBondContact ND1-OD1 2.72Å; Q339-N625 PolarHBondContact NE2-OD1 3.03Å; S606-N625 VanDerWaalsContact O-CB 3.25Å; S606-N625 WeakPolarHBondContact O-CB 3.33Å; S606-N625 PolarHBondContact O-ND2 3.02Å; S606-N625 VanDerWaalsContact O-ND2 3.13Å; S607-N625 PolarHBondContact O-ND2 3.25Å; S607-N625 VanDerWaalsContact O-ND2 3.11Å; N608-N625 WeakPolarHBondContact OD1-CB 3.36Å; N608-N625 PolarHBondContact OD1-N 3.07Å; N625-Q627 VanDerWaalsContact C-N 3.26Å; N625-Q627 VanDerWaalsContact CA-OE1 3.28Å; N625-Q627 PolarHBondContact O-N 3.43Å; N625-T628 PolarHBondContact O-N 3.05Å; N625-T628 VanDerWaalsContact O-N 3.14Å
626F97.1Very high97Very high2 Ų29.8 Ų9.81%0.0095%0.052CC..THydrogen-bonded Turntrans-70.3-14.9-174.7-88.1-118.2000114.8L111 S329 M348 V352 S355 C357 L624 T628 M633 R780L111-F626 HydrophobicContact CD1-CD1 4.25Å; S329-F626 WeakPolarHBondContact O-CE2 3.47Å; M348-F626 HydrophobicContact CE-CB 4.31Å; V352-F626 HydrophobicContact CB-CD1 4.4Å; V352-F626 HydrophobicContact CG1-CD1 4.08Å; V352-F626 HydrophobicContact CG1-CE1 4.19Å; V352-F626 HydrophobicContact CG1-CG 4.33Å; V352-F626 HydrophobicContact CG2-CB 3.78Å; V352-F626 HydrophobicContact CG2-CD1 3.85Å; V352-F626 HydrophobicContact CG2-CG 3.94Å; S355-F626 WeakPolarHBondContact OG-CE1 3.32Å; C357-F626 HydrophobicContact CB-CE1 4.1Å; C357-F626 HydrophobicContact CB-CZ 4Å; L624-F626 WeakPolarHBondContact O-CD2 3.45Å; L624-F626 PolarHBondContact O-N 3.19Å; F626-T628 VanDerWaalsContact C-N 3.28Å; F626-M633 HydrophobicContact CD1-SD 4.4Å; F626-M633 HydrophobicContact CD2-CE 3.71Å; F626-M633 HydrophobicContact CD2-SD 4.36Å; F626-M633 HydrophobicContact CE1-SD 4.49Å; F626-M633 HydrophobicContact CE2-CE 4Å; F626-M633 HydrophobicContact CE2-SD 4.43Å; F626-M633 HydrophobicContact CG-CE 4.1Å; F626-M633 HydrophobicContact CG-SD 4.34Å; F626-R780 PolarHBondContact O-NH1 3.46Å
627Q93.9Very high97Very high20 Ų2010.9 Ų10.99%0.0936%0.058CC..THydrogen-bonded Turntrans-70.6-23.8170.865.8-85.151.100112.7V112 A337 M348 S606 N625V112-Q627 HydrophobicContact CG2-CB 4.36Å; A337-Q627 PolarHBondContact O-NE2 2.9Å; M348-Q627 HydrophobicContact CE-CB 3.84Å; S606-Q627 PolarHBondContact OG-NE2 2.9Å; N625-Q627 VanDerWaalsContact C-N 3.26Å; N625-Q627 VanDerWaalsContact CA-OE1 3.28Å; N625-Q627 PolarHBondContact O-N 3.43Å
628T94.8Very high96.9Very high32 Ų3210.9 Ų10.920%0.1966%0.058CC..  trans-106.2111.4-170.5-530000112.1S606 N608 N625 F626 D630 M633S606-T628 WeakPolarHBondContact CB-OG1 3.27Å; S606-T628 WeakPolarHBondContact O-CB 3.4Å; S606-T628 PolarHBondContact O-OG1 2.91Å; N608-T628 PolarHBondContact ND2-O 3.34Å; N625-T628 PolarHBondContact O-N 3.05Å; N625-T628 VanDerWaalsContact O-N 3.14Å; F626-T628 VanDerWaalsContact C-N 3.28Å; T628-D630 VanDerWaalsContact C-N 3.25Å; T628-D630 HydrophobicContact CG2-CB 4.28Å; T628-D630 PolarHBondContact O-N 2.83Å; T628-D630 VanDerWaalsContact O-N 3.09Å; T628-M633 WeakPolarHBondContact O-CB 3.37Å
629M93.3Very high96.7Very high34 Ų3412.3 Ų12.317%0.1676%0.064CC..  trans-88.542.3-173.4-61.2-48.9-53.400114.9M633 Q634 M637 E779 R780M629-M633 HydrophobicContact CE-CB 4.37Å; M629-M633 HydrophobicContact CE-CG 3.63Å; M629-M633 HydrophobicContact SD-CG 3.71Å; M629-Q634 PolarHBondContact O-NE2 3.16Å; M629-M637 HydrophobicContact CE-SD 3.69Å; M629-E779 HydrophobicContact CB-CB 3.93Å; M629-E779 HydrophobicContact CE-CB 4.37Å; M629-E779 WeakPolarHBondContact CE-O 3.27Å; M629-R780 HydrophobicContact CE-CB 4.35Å; M629-R780 HydrophobicContact CE-CG 4.09Å; M629-R780 HydrophobicContact SD-CG 4.48Å; M629-R780 PolarHBondContact SD-NH1 3.34Å
630D94.8Very high96.6Very high43 Ų4312.7 Ų12.723%0.237%0.066CC..SBendtrans-74.8180177.66521000112.9N608 T628 A632 M633 Q634N608-D630 VanDerWaalsContact CB-OD2 3.29Å; N608-D630 WeakPolarHBondContact CB-OD2 3.43Å; N608-D630 PolarHBondContact N-OD2 2.9Å; N608-D630 PolarHBondContact ND2-OD1 3.37Å; N608-D630 PolarHBondContact ND2-OD2 2.83Å; T628-D630 VanDerWaalsContact C-N 3.25Å; T628-D630 HydrophobicContact CG2-CB 4.28Å; T628-D630 PolarHBondContact O-N 2.83Å; T628-D630 VanDerWaalsContact O-N 3.09Å; D630-A632 PolarHBondContact O-N 2.97Å; D630-A632 WeakPolarHBondContact OD1-CB 3.44Å; D630-A632 PolarHBondContact OD1-N 3.42Å; D630-M633 PolarHBondContact O-N 3.02Å; D630-M633 VanDerWaalsContact O-N 3.16Å; D630-M633 PolarHBondContact OD1-N 3.17Å; D630-M633 VanDerWaalsContact OD1-N 3.15Å; D630-Q634 WeakPolarHBondContact O-CG 3.42Å; D630-Q634 PolarHBondContact O-N 2.92Å
631L95.6Very high96.5Very high40 Ų4012.7 Ų12.721%0.2097%0.066CC..Hα-helixtrans-57-31.8-178.2177.662.8000113.1M610 I635 F702 R746M610-L631 HydrophobicContact CE-CD2 4.04Å; M610-L631 HydrophobicContact CE-CG 4.16Å; L631-I635 HydrophobicContact CD1-CD1 4.15Å; L631-I635 HydrophobicContact CD1-CG1 4.48Å; L631-I635 HydrophobicContact CG-CD1 4.09Å; L631-I635 WeakPolarHBondContact O-CD1 3.43Å; L631-I635 VanDerWaalsContact O-CG1 3.25Å; L631-I635 WeakPolarHBondContact O-CG1 2.96Å; L631-I635 PolarHBondContact O-N 3.43Å; L631-I635 VanDerWaalsContact O-N 3.09Å; L631-F702 HydrophobicContact CD1-CZ 4.16Å; L631-F702 HydrophobicContact CD2-CE1 4.34Å; L631-F702 HydrophobicContact CD2-CZ 4.06Å; L631-F702 HydrophobicContact CG-CZ 4.4Å; L631-R746 VanDerWaalsContact CD1-NE 3.28Å
632A97.1Very high96.3Very high5 Ų512.9 Ų12.94%0.0417%0.067CC..Hα-helixtrans-72.9-42.7178.800000111.3N608 Y609 D630 I635 N636N608-A632 HydrophobicContact CB-CB 3.64Å; Y609-A632 WeakPolarHBondContact O-CB 3.23Å; D630-A632 PolarHBondContact O-N 2.97Å; D630-A632 WeakPolarHBondContact OD1-CB 3.44Å; D630-A632 PolarHBondContact OD1-N 3.42Å; A632-I635 PolarHBondContact O-N 3.36Å; A632-N636 WeakPolarHBondContact O-CB 3.48Å; A632-N636 PolarHBondContact O-N 2.83Å
633M97.2Very high96.2Very high0 Ų012.8 Ų12.80%07%0.066CC..Hα-helixtrans-66.7-37.8174.1-172.352.354.700112.2L624 F626 T628 M629 D630 I635 N636 M637L624-M633 HydrophobicContact CB-CE 3.49Å; L624-M633 VanDerWaalsContact CB-CE 3.49Å; L624-M633 HydrophobicContact CD1-CE 4Å; L624-M633 HydrophobicContact CG-CE 4.42Å; F626-M633 HydrophobicContact CD1-SD 4.4Å; F626-M633 HydrophobicContact CD2-CE 3.71Å; F626-M633 HydrophobicContact CD2-SD 4.36Å; F626-M633 HydrophobicContact CE1-SD 4.49Å; F626-M633 HydrophobicContact CE2-CE 4Å; F626-M633 HydrophobicContact CE2-SD 4.43Å; F626-M633 HydrophobicContact CG-CE 4.1Å; F626-M633 HydrophobicContact CG-SD 4.34Å; T628-M633 WeakPolarHBondContact O-CB 3.37Å; M629-M633 HydrophobicContact CE-CB 4.37Å; M629-M633 HydrophobicContact CE-CG 3.63Å; M629-M633 HydrophobicContact SD-CG 3.71Å; D630-M633 PolarHBondContact O-N 3.02Å; D630-M633 VanDerWaalsContact O-N 3.16Å; D630-M633 PolarHBondContact OD1-N 3.17Å; D630-M633 VanDerWaalsContact OD1-N 3.15Å; M633-I635 PolarHBondContact O-N 2.72Å; M633-N636 PolarHBondContact O-N 2.81Å; M633-N636 HydrophobicContact SD-CB 4.33Å; M633-M637 HydrophobicContact CG-CG 4.38Å; M633-M637 HydrophobicContact CG-SD 4.45Å; M633-M637 WeakPolarHBondContact O-CG 3.03Å; M633-M637 PolarHBondContact O-N 3.28Å; M633-M637 HydrophobicContact SD-CG 4.01Å; M633-M637 HydrophobicContact SD-SD 4.5Å
634Q96.7Very high96Very high15 Ų1513.9 Ų13.97%0.078%0.077CC..Hα-helixtrans-54-53170.6-75.2169.632.100110.9M629 D630 N636 M637 G638 R746 I761 E779M629-Q634 PolarHBondContact O-NE2 3.16Å; D630-Q634 WeakPolarHBondContact O-CG 3.42Å; D630-Q634 PolarHBondContact O-N 2.92Å; Q634-N636 VanDerWaalsContact C-N 3.32Å; Q634-N636 PolarHBondContact O-N 3.26Å; Q634-M637 PolarHBondContact O-N 2.89Å; Q634-G638 PolarHBondContact O-N 3.01Å; Q634-R746 VanDerWaalsContact OE1-NH2 3.09Å; Q634-I761 VanDerWaalsContact C-CD1 3.43Å; Q634-I761 HydrophobicContact CB-CD1 4.38Å; Q634-I761 WeakPolarHBondContact O-CD1 3.49Å; Q634-E779 HydrophobicContact CG-CB 4.39Å
635I96.8Very high95.8Very high2 Ų216.3 Ų16.31%0.019%0.088CC..Hα-helixtrans-58.5-42.9177.9-70.3164.9000111.4M610 W615 L631 A632 M633 G638 M639 F702M610-I635 HydrophobicContact CE-CD1 3.83Å; M610-I635 HydrophobicContact SD-CD1 3.68Å; W615-I635 HydrophobicContact CH2-CG2 4.33Å; W615-I635 HydrophobicContact CZ3-CG2 3.85Å; L631-I635 HydrophobicContact CD1-CD1 4.15Å; L631-I635 HydrophobicContact CD1-CG1 4.48Å; L631-I635 HydrophobicContact CG-CD1 4.09Å; L631-I635 WeakPolarHBondContact O-CD1 3.43Å; L631-I635 VanDerWaalsContact O-CG1 3.25Å; L631-I635 WeakPolarHBondContact O-CG1 2.96Å; L631-I635 PolarHBondContact O-N 3.43Å; L631-I635 VanDerWaalsContact O-N 3.09Å; A632-I635 PolarHBondContact O-N 3.36Å; M633-I635 PolarHBondContact O-N 2.72Å; I635-G638 PolarHBondContact O-N 3.23Å; I635-M639 WeakPolarHBondContact O-CB 3.34Å; I635-M639 PolarHBondContact O-N 2.88Å; I635-F702 HydrophobicContact CD1-CD1 3.81Å; I635-F702 HydrophobicContact CD1-CD2 3.86Å; I635-F702 HydrophobicContact CD1-CE1 3.75Å; I635-F702 HydrophobicContact CD1-CE2 3.81Å; I635-F702 HydrophobicContact CD1-CG 3.87Å; I635-F702 HydrophobicContact CD1-CZ 3.78Å; I635-F702 HydrophobicContact CG1-CD2 4.43Å; I635-F702 HydrophobicContact CG1-CE2 4.44Å
636N97.9Very high95.7Very high1 Ų116.3 Ų16.31%0.0059%0.088CC..Hα-helixtrans-61.6-50.8177.3-169.571000112.6N328 W615 L624 A632 M633 Q634 G638 M639 Y640N328-N636 PolarHBondContact OD1-ND2 2.78Å; W615-N636 HydrophobicContact CH2-CB 4.5Å; L624-N636 HydrophobicContact CD1-CB 3.79Å; A632-N636 WeakPolarHBondContact O-CB 3.48Å; A632-N636 PolarHBondContact O-N 2.83Å; M633-N636 PolarHBondContact O-N 2.81Å; M633-N636 HydrophobicContact SD-CB 4.33Å; Q634-N636 VanDerWaalsContact C-N 3.32Å; Q634-N636 PolarHBondContact O-N 3.26Å; N636-G638 PolarHBondContact O-N 3.41Å; N636-M639 PolarHBondContact O-N 3.3Å; N636-Y640 WeakPolarHBondContact O-CD2 3.39Å; N636-Y640 PolarHBondContact O-N 2.72Å; N636-Y640 VanDerWaalsContact O-N 3.09Å; N636-Y640 VanDerWaalsContact OD1-CE2 3.27Å; N636-Y640 WeakPolarHBondContact OD1-CE2 3.49Å
637M95.9Very high95.8Very high31 Ų3116.3 Ų16.315%0.1539%0.088CC..Hα-helixtrans-68.2-23.1178.7-63.5-166.885.500113.2M629 M633 Q634 R780 N781M629-M637 HydrophobicContact CE-SD 3.69Å; M633-M637 HydrophobicContact CG-CG 4.38Å; M633-M637 HydrophobicContact CG-SD 4.45Å; M633-M637 WeakPolarHBondContact O-CG 3.03Å; M633-M637 PolarHBondContact O-N 3.28Å; M633-M637 HydrophobicContact SD-CG 4.01Å; M633-M637 HydrophobicContact SD-SD 4.5Å; Q634-M637 PolarHBondContact O-N 2.89Å; M637-R780 WeakPolarHBondContact CE-O 3.34Å; M637-R780 HydrophobicContact SD-CB 4.49Å; M637-N781 HydrophobicContact CB-CB 3.94Å; M637-N781 PolarHBondContact O-ND2 3.4Å
638G95.1Very high96Very high0 Ų015.3 Ų15.30%08%0.084CC..Hα-helixtrans-72.3-48.6168.200000112.6Q634 I635 N636 Y640 E641 Y642Q634-G638 PolarHBondContact O-N 3.01Å; I635-G638 PolarHBondContact O-N 3.23Å; N636-G638 PolarHBondContact O-N 3.41Å; G638-Y640 PolarHBondContact O-N 3.15Å; G638-E641 PolarHBondContact O-N 3.47Å; G638-Y642 VanDerWaalsContact O-CD2 3.27Å; G638-Y642 WeakPolarHBondContact O-CD2 3.34Å; G638-Y642 VanDerWaalsContact O-CE2 3.23Å; G638-Y642 WeakPolarHBondContact O-CE2 3.42Å
639M94.7Very high96.1Very high31 Ų3115.2 Ų15.215%0.1538%0.08CC..Hα-helixtrans-61.2-44.7-178-176-177.4-177.500112.5F326 W615 I635 N636 E641 R649F326-M639 HydrophobicContact CB-CE 3.96Å; F326-M639 HydrophobicContact CD2-CE 3.5Å; F326-M639 VanDerWaalsContact CD2-CE 3.5Å; F326-M639 HydrophobicContact CE2-CE 4.2Å; F326-M639 HydrophobicContact CG-CE 3.91Å; W615-M639 HydrophobicContact CD2-CE 4.27Å; W615-M639 HydrophobicContact CD2-SD 3.83Å; W615-M639 HydrophobicContact CE3-CE 4.39Å; W615-M639 HydrophobicContact CE3-SD 3.62Å; W615-M639 HydrophobicContact CH2-CB 4.46Å; W615-M639 HydrophobicContact CH2-SD 3.43Å; W615-M639 WeakPolarHBondContact CH2-SD 3.25Å; W615-M639 HydrophobicContact CZ2-SD 3.62Å; W615-M639 HydrophobicContact CZ3-SD 3.42Å; W615-M639 WeakPolarHBondContact CZ3-SD 3.16Å; I635-M639 WeakPolarHBondContact O-CB 3.34Å; I635-M639 PolarHBondContact O-N 2.88Å; N636-M639 PolarHBondContact O-N 3.3Å; M639-E641 VanDerWaalsContact C-N 3.31Å; M639-E641 PolarHBondContact O-N 2.84Å; M639-R649 HydrophobicContact CE-CB 4.13Å; M639-R649 HydrophobicContact CE-CG 4.33Å; M639-R649 HydrophobicContact CG-CG 4.32Å; M639-R649 WeakPolarHBondContact O-CD 3.48Å
640Y96.9Very high96.3Very high7 Ų715.2 Ų15.23%0.0278%0.08CC..THydrogen-bonded Turntrans-87.811.9-177.5-66.5-73.9000114.6F326 I327 N328 W615 N636 G638 G647 R649F326-Y640 VanDerWaalsContact C-OH 3.25Å; F326-Y640 VanDerWaalsContact CB-OH 3.32Å; F326-Y640 WeakPolarHBondContact CB-OH 3.16Å; I327-Y640 VanDerWaalsContact C-OH 3.27Å; I327-Y640 PolarHBondContact N-OH 3.46Å; N328-Y640 HydrophobicContact CB-CD1 3.75Å; N328-Y640 HydrophobicContact CB-CD2 3.68Å; N328-Y640 HydrophobicContact CB-CE1 3.85Å; N328-Y640 HydrophobicContact CB-CE2 3.8Å; N328-Y640 HydrophobicContact CB-CG 3.67Å; N328-Y640 PolarHBondContact N-OH 3.39Å; W615-Y640 HydrophobicContact CZ2-CE2 4.14Å; N636-Y640 WeakPolarHBondContact O-CD2 3.39Å; N636-Y640 PolarHBondContact O-N 2.72Å; N636-Y640 VanDerWaalsContact O-N 3.09Å; N636-Y640 VanDerWaalsContact OD1-CE2 3.27Å; N636-Y640 WeakPolarHBondContact OD1-CE2 3.49Å; G638-Y640 PolarHBondContact O-N 3.15Å; Y640-G647 WeakPolarHBondContact CE1-O 3.34Å; Y640-R649 HydrophobicContact CD1-CG 3.57Å; Y640-R649 HydrophobicContact CE1-CB 4.2Å; Y640-R649 HydrophobicContact CE1-CG 3.56Å
641E95.8Very high96.5Very high1 Ų113.3 Ų13.31%0.0057%0.07CC..THydrogen-bonded Turntrans-71.7-33.3164.6-176.6171.5-160.600112.2N145 L312 G638 M639 R760 R777 N781N145-E641 PolarHBondContact ND2-OE1 2.87Å; N145-E641 PolarHBondContact OD1-OE1 3.31Å; L312-E641 HydrophobicContact CD2-CG 4.47Å; G638-E641 PolarHBondContact O-N 3.47Å; M639-E641 VanDerWaalsContact C-N 3.31Å; M639-E641 PolarHBondContact O-N 2.84Å; E641-R760 IonicContact OE1-NH2 2.85Å; E641-R760 IonicContact OE2-CZ 3.72Å; E641-R760 VanDerWaalsContact OE2-CZ 3.32Å; E641-R760 IonicContact OE2-NH1 3.62Å; E641-R760 PolarHBondContact OE2-NH1 2.99Å; E641-R760 IonicContact OE2-NH2 2.86Å; E641-R760 PolarHBondContact OE2-NH2 2.69Å; E641-R777 IonicContact OE1-CZ 2.75Å; E641-R777 IonicContact OE1-NH1 3.21Å; E641-R777 PolarHBondContact OE1-NH1 3.39Å; E641-R777 IonicContact OE1-NH2 2.78Å; E641-R777 PolarHBondContact OE1-NH2 3.08Å; E641-R777 IonicContact OE2-CZ 3.6Å; E641-R777 IonicContact OE2-NH1 2.78Å; E641-R777 PolarHBondContact OE2-NH1 3.48Å; E641-R777 IonicContact OE2-NH2 2.87Å; E641-N781 PolarHBondContact OE2-ND2 3.31Å
642Y95.1Very high96.4Very high4 Ų412 Ų122%0.0166%0.064CC..THydrogen-bonded Turntrans-82.7164.7-175.5-57.5-97.4000111.6V307 K311 L312 G638 I761 P763 A766V307-Y642 HydrophobicContact CG1-CE1 3.95Å; V307-Y642 HydrophobicContact CG2-CE1 4.38Å; K311-Y642 WeakPolarHBondContact O-CD1 3.44Å; L312-Y642 HydrophobicContact CD2-CD1 4.1Å; L312-Y642 HydrophobicContact CD2-CE1 3.96Å; G638-Y642 VanDerWaalsContact O-CD2 3.27Å; G638-Y642 WeakPolarHBondContact O-CD2 3.34Å; G638-Y642 VanDerWaalsContact O-CE2 3.23Å; G638-Y642 WeakPolarHBondContact O-CE2 3.42Å; Y642-I761 PolarHBondContact OH-O 3.47Å; Y642-I761 VanDerWaalsContact OH-O 3.12Å; Y642-P763 HydrophobicContact CD1-CG 4.3Å; Y642-P763 HydrophobicContact CD2-CG 3.91Å; Y642-P763 HydrophobicContact CE1-CG 4.09Å; Y642-P763 VanDerWaalsContact CE2-CD 3.46Å; Y642-P763 HydrophobicContact CE2-CG 3.73Å; Y642-P763 HydrophobicContact CG-CG 4.24Å; Y642-P763 VanDerWaalsContact OH-CD 3.29Å; Y642-P763 WeakPolarHBondContact OH-CD 3.44Å; Y642-A766 HydrophobicContact CD1-CB 4.45Å; Y642-A766 HydrophobicContact CE1-CB 4.1Å
643N95.5Very high96.2Very high0 Ų016.7 Ų16.70%08%0.084CC..THydrogen-bonded Turntrans56.750.1-169.8-165.543.2000112.5D313 L314 N315 E316 M318 K645 S646 Y648D313-N643 VanDerWaalsContact O-CA 3.28Å; D313-N643 WeakPolarHBondContact O-CA 3.36Å; L314-N643 WeakPolarHBondContact CA-OD1 3.17Å; L314-N643 WeakPolarHBondContact CD1-OD1 3.49Å; N315-N643 PolarHBondContact N-OD1 2.8Å; E316-N643 HydrophobicContact CG-CB 4.09Å; E316-N643 PolarHBondContact N-OD1 2.82Å; E316-N643 VanDerWaalsContact N-OD1 3.13Å; M318-N643 PolarHBondContact SD-ND2 3.43Å; M318-N643 VanDerWaalsContact SD-ND2 3.35Å; N643-K645 VanDerWaalsContact C-N 3.31Å; N643-K645 PolarHBondContact O-N 3.4Å; N643-S646 PolarHBondContact ND2-OG 2.9Å; N643-S646 VanDerWaalsContact O-CB 3.25Å; N643-S646 WeakPolarHBondContact O-CB 3.44Å; N643-S646 PolarHBondContact O-N 3.35Å; N643-S646 VanDerWaalsContact O-N 3.09Å; N643-S646 PolarHBondContact O-OG 3.32Å; N643-Y648 PolarHBondContact ND2-O 3.21Å
644G94.4Very high95.8Very high22 Ų2217.8 Ų17.823%0.2279%0.09CC..THydrogen-bonded Turntrans66.220.8171.500000116L312 D313 S646L312-G644 WeakPolarHBondContact O-CA 3.34Å; L312-G644 PolarHBondContact O-N 2.65Å; D313-G644 PolarHBondContact O-N 3.5Å; G644-S646 PolarHBondContact O-N 3.43Å; G644-S646 VanDerWaalsContact O-N 3.16Å
645K95Very high95.7Very high51 Ų5117.1 Ų17.122%0.2229%0.086CC..THydrogen-bonded Turntrans51.327.7-166.2-72.4-168-173.91760114.6L141 N643 G647L141-K645 HydrophobicContact CD2-CB 4.49Å; L141-K645 HydrophobicContact CD2-CD 3.63Å; L141-K645 HydrophobicContact CD2-CG 3.76Å; N643-K645 VanDerWaalsContact C-N 3.31Å; N643-K645 PolarHBondContact O-N 3.4Å; K645-G647 PolarHBondContact O-N 3.48Å
646S96.8Very high95.6Very high2 Ų219 Ų191%0.0149%0.093CC..  trans-55.5-23.3176.656.10000114.1R358 S403 N643 G644 Y648R358-S646 WeakPolarHBondContact CD-O 3.41Å; S403-S646 WeakPolarHBondContact CB-O 3.26Å; S403-S646 WeakPolarHBondContact OG-CA 3.37Å; S403-S646 PolarHBondContact OG-O 3.36Å; N643-S646 PolarHBondContact ND2-OG 2.9Å; N643-S646 VanDerWaalsContact O-CB 3.25Å; N643-S646 WeakPolarHBondContact O-CB 3.44Å; N643-S646 PolarHBondContact O-N 3.35Å; N643-S646 VanDerWaalsContact O-N 3.09Å; N643-S646 PolarHBondContact O-OG 3.32Å; G644-S646 PolarHBondContact O-N 3.43Å; G644-S646 VanDerWaalsContact O-N 3.16Å; S646-Y648 PolarHBondContact OG-N 3.09Å; S646-Y648 PolarHBondContact OG-O 2.88Å
647G97.7Very high95.5Very high1 Ų123.2 Ų23.21%0.0111%0.109CC..SBendtrans78.66-170.100000113.6N328 G356 Y640 K645N328-G647 PolarHBondContact N-O 3.28Å; G356-G647 WeakPolarHBondContact O-CA 3.04Å; Y640-G647 WeakPolarHBondContact CE1-O 3.34Å; K645-G647 PolarHBondContact O-N 3.48Å
648Y98.6Very high95.2Very high0 Ų026.9 Ų26.90%014%0.135CC..EExtended strand (participates in β ladder)trans-123130.5177.7-73.7-87.6000109.6M318 L322 Y325 F326 I327 R358 F405 P406 P455 N643 S646M318-Y648 HydrophobicContact CE-CG 4.18Å; L322-Y648 HydrophobicContact CD1-CE1 3.61Å; Y325-Y648 HydrophobicContact CG-CD1 4.19Å; F326-Y648 WeakPolarHBondContact O-CA 3.41Å; I327-Y648 HydrophobicContact CB-CE1 4.3Å; I327-Y648 HydrophobicContact CD1-CE1 3.81Å; I327-Y648 HydrophobicContact CG1-CD1 3.94Å; I327-Y648 HydrophobicContact CG1-CE1 3.62Å; I327-Y648 HydrophobicContact CG2-CE1 3.92Å; R358-Y648 HydrophobicContact CB-CE2 3.88Å; R358-Y648 HydrophobicContact CG-CD2 3.95Å; R358-Y648 HydrophobicContact CG-CE2 3.51Å; F405-Y648 HydrophobicContact CB-CD2 3.56Å; F405-Y648 HydrophobicContact CB-CE2 3.55Å; F405-Y648 HydrophobicContact CG-CD2 4.24Å; P406-Y648 HydrophobicContact CG-CE2 4.43Å; P406-Y648 PolarHBondContact O-OH 3.32Å; P455-Y648 HydrophobicContact CG-CD1 4.17Å; P455-Y648 HydrophobicContact CG-CE1 4.36Å; N643-Y648 PolarHBondContact ND2-O 3.21Å; S646-Y648 PolarHBondContact OG-N 3.09Å; S646-Y648 PolarHBondContact OG-O 2.88Å
649R97.6Very high95Very high30 Ų3031.2 Ų31.211%0.11316%0.159CC..EExtended strand (participates in β ladder)trans-126121.2177.4-64.5-72.4-58.5132.727.1108.3E316 Y325 F326 M639 Y640 K651E316-R649 IonicContact OE1-CZ 3.81Å; E316-R649 IonicContact OE1-NH1 3.2Å; E316-R649 PolarHBondContact OE1-NH1 3.24Å; E316-R649 IonicContact OE1-NH2 2.69Å; E316-R649 PolarHBondContact OE1-NH2 3.17Å; E316-R649 WeakPolarHBondContact OE2-CA 3.12Å; E316-R649 IonicContact OE2-CZ 3.49Å; E316-R649 IonicContact OE2-NH1 2.77Å; E316-R649 PolarHBondContact OE2-NH1 3.36Å; E316-R649 IonicContact OE2-NH2 2.69Å; Y325-R649 CarbonylContact C-O 3.54Å; Y325-R649 WeakPolarHBondContact CA-O 3.47Å; F326-R649 HydrophobicContact CB-CB 4.38Å; F326-R649 PolarHBondContact N-O 2.94Å; F326-R649 PolarHBondContact O-N 3.35Å; M639-R649 HydrophobicContact CE-CB 4.13Å; M639-R649 HydrophobicContact CE-CG 4.33Å; M639-R649 HydrophobicContact CG-CG 4.32Å; M639-R649 WeakPolarHBondContact O-CD 3.48Å; Y640-R649 HydrophobicContact CD1-CG 3.57Å; Y640-R649 HydrophobicContact CE1-CB 4.2Å; Y640-R649 HydrophobicContact CE1-CG 3.56Å; R649-K651 PolarHBondContact O-N 2.87Å
650L97.9Very high94.8Very high33 Ų3332.4 Ų32.417%0.17316%0.163CC..EExtended strand (participates in β ladder)trans-67133.1-177-178.564.2000110.3E316 D317 Q320 H324 Y325E316-L650 HydrophobicContact CB-CB 4.07Å; E316-L650 PolarHBondContact OE2-N 3.11Å; D317-L650 HydrophobicContact CB-CD2 4.16Å; Q320-L650 HydrophobicContact CB-CD1 4.27Å; Q320-L650 HydrophobicContact CG-CD1 3.86Å; H324-L650 HydrophobicContact CB-CD1 4.37Å; Y325-L650 HydrophobicContact CD1-CB 4.15Å; Y325-L650 HydrophobicContact CD1-CD1 4.14Å; Y325-L650 HydrophobicContact CE1-CB 4Å; Y325-L650 HydrophobicContact CE1-CD1 3.68Å; Y325-L650 HydrophobicContact CE1-CG 4.41Å; Y325-L650 HydrophobicContact CE2-CD1 4.5Å
651K97.9Very high94.4Very high4 Ų438.3 Ų38.32%0.01719%0.19CC..PPolyproline II helixtrans-66.8152.3177.7-70.2173.7-179.2-179.60112S323 H324 F326 N590 G618 Q620 R649 M655 R656S323-K651 VanDerWaalsContact O-CE 3.26Å; S323-K651 WeakPolarHBondContact O-CE 3.41Å; S323-K651 PolarHBondContact O-NZ 3.16Å; H324-K651 VanDerWaalsContact O-CB 3.25Å; H324-K651 WeakPolarHBondContact O-CB 3.42Å; H324-K651 WeakPolarHBondContact O-CG 3.46Å; H324-K651 PolarHBondContact O-N 3.42Å; F326-K651 HydrophobicContact CD1-CG 4.32Å; F326-K651 HydrophobicContact CD2-CG 4.15Å; F326-K651 HydrophobicContact CE1-CG 4.03Å; F326-K651 HydrophobicContact CE2-CB 4.4Å; F326-K651 HydrophobicContact CE2-CG 3.86Å; F326-K651 HydrophobicContact CG-CG 4.39Å; F326-K651 HydrophobicContact CZ-CG 3.81Å; N590-K651 PolarHBondContact O-NZ 2.67Å; G618-K651 WeakPolarHBondContact O-CE 3.3Å; G618-K651 PolarHBondContact O-NZ 3.26Å; Q620-K651 VanDerWaalsContact NE2-NZ 3.17Å; R649-K651 PolarHBondContact O-N 2.87Å; K651-M655 HydrophobicContact CB-CB 4.26Å; K651-M655 HydrophobicContact CD-CB 4.44Å; K651-R656 HydrophobicContact CB-CG 3.81Å; K651-R656 HydrophobicContact CD-CG 4.43Å; K651-R656 PolarHBondContact O-NE 3.23Å
652P94.6Very high94.1Very high12 Ų1238.5 Ų38.58%0.07819%0.191CC..PPolyproline II helixtrans-52148.9166.1-24.433.8000112.8F654 M655 T741 L742P652-F654 HydrophobicContact CB-CD1 4.29Å; P652-F654 HydrophobicContact CB-CE1 3.39Å; P652-F654 HydrophobicContact CB-CE2 4.08Å; P652-F654 HydrophobicContact CB-CZ 3.25Å; P652-F654 HydrophobicContact CG-CZ 4.08Å; P652-F654 PolarHBondContact O-N 2.95Å; P652-M655 HydrophobicContact CB-CG 4.18Å; P652-M655 HydrophobicContact CB-SD 4.28Å; P652-M655 HydrophobicContact CG-CG 4.47Å; P652-M655 HydrophobicContact CG-SD 3.93Å; P652-M655 WeakPolarHBondContact O-CB 3.37Å; P652-M655 PolarHBondContact O-N 2.71Å; P652-T741 WeakPolarHBondContact CG-OG1 3.03Å; P652-L742 HydrophobicContact CG-CB 4.22Å; P652-L742 HydrophobicContact CG-CD1 4.33Å
653E91.5Very high94Very high103 Ų10341.2 Ų41.248%0.48121%0.206SC..G310 helixtrans-59.2-44.9-166.1-167.9-168.9126.700114.8M655 R656 R657E653-M655 PolarHBondContact O-N 3.05Å; E653-R656 WeakPolarHBondContact O-CB 3.42Å; E653-R656 PolarHBondContact O-N 2.83Å; E653-R657 HydrophobicContact CG-CG 4.16Å; E653-R657 PolarHBondContact O-N 3.28Å; E653-R657 WeakPolarHBondContact OE1-CD 3.45Å; E653-R657 IonicContact OE1-CZ 2.68Å; E653-R657 IonicContact OE1-NE 2.79Å; E653-R657 IonicContact OE1-NH1 2.69Å; E653-R657 PolarHBondContact OE1-NH1 3.5Å
654F89.7Confident93.9Very high24 Ų2441.3 Ų41.311%0.10521%0.206CC..G310 helixtrans-68.7-16178.253.7-88.3000113P652 R656 K660 F662 I673 L739P652-F654 HydrophobicContact CB-CD1 4.29Å; P652-F654 HydrophobicContact CB-CE1 3.39Å; P652-F654 HydrophobicContact CB-CE2 4.08Å; P652-F654 HydrophobicContact CB-CZ 3.25Å; P652-F654 HydrophobicContact CG-CZ 4.08Å; P652-F654 PolarHBondContact O-N 2.95Å; F654-R656 PolarHBondContact O-N 3.47Å; F654-K660 HydrophobicContact CB-CB 4.24Å; F654-F662 HydrophobicContact CD2-CB 3.79Å; F654-F662 AromaticContact CD2-CD1 3.93Å; F654-F662 HydrophobicContact CD2-CD1 3.93Å; F654-F662 AromaticContact CD2-CD2 3.36Å; F654-F662 HydrophobicContact CD2-CD2 3.36Å; F654-F662 HydrophobicContact CD2-CE1 4.37Å; F654-F662 AromaticContact CD2-CE2 3.87Å; F654-F662 HydrophobicContact CD2-CE2 3.87Å; F654-F662 AromaticContact CD2-CG 3.4Å; F654-F662 HydrophobicContact CD2-CG 3.4Å; F654-F662 HydrophobicContact CD2-CZ 4.35Å; F654-F662 AromaticContact CE2-CD1 3.86Å; F654-F662 HydrophobicContact CE2-CD1 3.86Å; F654-F662 AromaticContact CE2-CD2 3.53Å; F654-F662 HydrophobicContact CE2-CD2 3.53Å; F654-F662 AromaticContact CE2-CE1 3.84Å; F654-F662 HydrophobicContact CE2-CE1 3.84Å; F654-F662 AromaticContact CE2-CE2 3.52Å; F654-F662 HydrophobicContact CE2-CE2 3.52Å; F654-F662 AromaticContact CE2-CG 3.71Å; F654-F662 HydrophobicContact CE2-CG 3.71Å; F654-F662 AromaticContact CE2-CZ 3.68Å; F654-F662 HydrophobicContact CE2-CZ 3.68Å; F654-F662 HydrophobicContact CG-CD2 4.31Å; F654-F662 HydrophobicContact CZ-CE2 4.35Å; F654-I673 HydrophobicContact CD1-CD1 3.41Å; F654-I673 VanDerWaalsContact CD1-CD1 3.41Å; F654-I673 HydrophobicContact CD1-CG1 3.88Å; F654-I673 HydrophobicContact CD2-CD1 4.26Å; F654-I673 HydrophobicContact CE1-CD1 3.34Å; F654-I673 HydrophobicContact CE1-CG1 4.05Å; F654-I673 HydrophobicContact CE2-CD1 4.17Å; F654-I673 HydrophobicContact CG-CD1 3.92Å; F654-I673 HydrophobicContact CZ-CD1 3.75Å; F654-L739 HydrophobicContact CE1-CD1 3.63Å; F654-L739 HydrophobicContact CE2-CD2 4.02Å; F654-L739 HydrophobicContact CZ-CD1 3.33Å; F654-L739 HydrophobicContact CZ-CD2 3.5Å; F654-L739 HydrophobicContact CZ-CG 4.03Å
655M94.6Very high93.9Very high1 Ų144.4 Ų44.41%0.00521%0.214CC..G310 helixtrans-87.29.2170.7-48.8-172.278.600112.8W615 N616 K651 P652 E653 F662 L742W615-M655 WeakPolarHBondContact O-CE 3.43Å; N616-M655 WeakPolarHBondContact O-CE 3.29Å; K651-M655 HydrophobicContact CB-CB 4.26Å; K651-M655 HydrophobicContact CD-CB 4.44Å; P652-M655 HydrophobicContact CB-CG 4.18Å; P652-M655 HydrophobicContact CB-SD 4.28Å; P652-M655 HydrophobicContact CG-CG 4.47Å; P652-M655 HydrophobicContact CG-SD 3.93Å; P652-M655 WeakPolarHBondContact O-CB 3.37Å; P652-M655 PolarHBondContact O-N 2.71Å; E653-M655 PolarHBondContact O-N 3.05Å; M655-F662 HydrophobicContact CE-CE1 4.42Å; M655-F662 HydrophobicContact CG-CD1 4.4Å; M655-L742 HydrophobicContact SD-CD2 4.21Å
656R95.4Very high93.6Very high41 Ų4143.5 Ų43.516%0.15521%0.213CC..THydrogen-bonded Turntrans-130.8-39.4179.9-62.5-173.4-74111.1-6.5112H324 K651 E653 F654H324-R656 VanDerWaalsContact CB-CD 3.47Å; H324-R656 HydrophobicContact CB-CG 3.93Å; K651-R656 HydrophobicContact CB-CG 3.81Å; K651-R656 HydrophobicContact CD-CG 4.43Å; K651-R656 PolarHBondContact O-NE 3.23Å; E653-R656 WeakPolarHBondContact O-CB 3.42Å; E653-R656 PolarHBondContact O-N 2.83Å; F654-R656 PolarHBondContact O-N 3.47Å
657R94Very high93.1Very high89 Ų8951.2 Ų51.234%0.33625%0.248SC..  trans-65.3125.4-177.7-90.9178.569.6163.33.3112.8K591 E653 D659 K660K591-R657 VanDerWaalsContact CE-O 3.32Å; K591-R657 WeakPolarHBondContact CE-O 3.34Å; K591-R657 PolarHBondContact NZ-O 2.92Å; E653-R657 HydrophobicContact CG-CG 4.16Å; E653-R657 PolarHBondContact O-N 3.28Å; E653-R657 WeakPolarHBondContact OE1-CD 3.45Å; E653-R657 IonicContact OE1-CZ 2.68Å; E653-R657 IonicContact OE1-NE 2.79Å; E653-R657 IonicContact OE1-NH1 2.69Å; E653-R657 PolarHBondContact OE1-NH1 3.5Å; R657-D659 VanDerWaalsContact C-N 3.25Å; R657-D659 WeakPolarHBondContact CB-OD1 3.44Å; R657-D659 IonicContact CZ-OD1 2.86Å; R657-D659 IonicContact CZ-OD2 2.7Å; R657-D659 IonicContact NE-OD1 2.72Å; R657-D659 PolarHBondContact NE-OD1 3.26Å; R657-D659 IonicContact NE-OD2 3.4Å; R657-D659 PolarHBondContact NE-OD2 3.1Å; R657-D659 IonicContact NH2-OD1 3.24Å; R657-D659 IonicContact NH2-OD2 2.66Å; R657-D659 PolarHBondContact NH2-OD2 3.06Å; R657-D659 PolarHBondContact O-N 2.98Å; R657-K660 HydrophobicContact CB-CB 4.13Å; R657-K660 HydrophobicContact CB-CG 4.44Å; R657-K660 PolarHBondContact O-N 2.96Å
658P90.4Very high92.4Very high108 Ų10852.6 Ų52.670%0.70126%0.263SS*.THydrogen-bonded Turntrans-72.5-16.6179.830.7-36000113.4
659D90.9Very high91.7Very high92 Ų9257 Ų5749%0.49229%0.286SS..THydrogen-bonded Turntrans-90.6-15.1179.968.4-58.9000114R657R657-D659 VanDerWaalsContact C-N 3.25Å; R657-D659 WeakPolarHBondContact CB-OD1 3.44Å; R657-D659 IonicContact CZ-OD1 2.86Å; R657-D659 IonicContact CZ-OD2 2.7Å; R657-D659 IonicContact NE-OD1 2.72Å; R657-D659 PolarHBondContact NE-OD1 3.26Å; R657-D659 IonicContact NE-OD2 3.4Å; R657-D659 PolarHBondContact NE-OD2 3.1Å; R657-D659 IonicContact NH2-OD1 3.24Å; R657-D659 IonicContact NH2-OD2 2.66Å; R657-D659 PolarHBondContact NH2-OD2 3.06Å; R657-D659 PolarHBondContact O-N 2.98Å
660K89.9Confident91.1Very high56 Ų5657.3 Ų57.324%0.24329%0.29CS..  trans-108.2111.7-177.6-75.7-72.9-170.7165.80110.7K591 F654 R657 D671K591-K660 PolarHBondContact NZ-O 3.24Å; F654-K660 HydrophobicContact CB-CB 4.24Å; R657-K660 HydrophobicContact CB-CB 4.13Å; R657-K660 HydrophobicContact CB-CG 4.44Å; R657-K660 PolarHBondContact O-N 2.96Å; K660-D671 IonicContact NZ-OD2 3.38Å; K660-D671 PolarHBondContact NZ-OD2 2.81Å
661H88.1Confident90.4Very high130 Ų13061.9 Ų61.960%0.60232%0.315SS*.  trans-80.9145.2171.7-64.272.1000109.8E588E588-H661 IonicContact OE1-CD2 2.73Å; E588-H661 IonicContact OE1-CG 2.76Å
662F90.6Very high89.7Confident5 Ų565.1 Ų65.12%0.02235%0.349CS..  trans-141.1125.4-176.9175.1-104.4000111.9V587 F654 M655 P664 T666 V670 I673 L704 L739V587-F662 HydrophobicContact CG1-CB 4.4Å; V587-F662 HydrophobicContact CG1-CD1 4.34Å; V587-F662 HydrophobicContact CG2-CD1 4.34Å; F654-F662 HydrophobicContact CD2-CB 3.79Å; F654-F662 AromaticContact CD2-CD1 3.93Å; F654-F662 HydrophobicContact CD2-CD1 3.93Å; F654-F662 AromaticContact CD2-CD2 3.36Å; F654-F662 HydrophobicContact CD2-CD2 3.36Å; F654-F662 HydrophobicContact CD2-CE1 4.37Å; F654-F662 AromaticContact CD2-CE2 3.87Å; F654-F662 HydrophobicContact CD2-CE2 3.87Å; F654-F662 AromaticContact CD2-CG 3.4Å; F654-F662 HydrophobicContact CD2-CG 3.4Å; F654-F662 HydrophobicContact CD2-CZ 4.35Å; F654-F662 AromaticContact CE2-CD1 3.86Å; F654-F662 HydrophobicContact CE2-CD1 3.86Å; F654-F662 AromaticContact CE2-CD2 3.53Å; F654-F662 HydrophobicContact CE2-CD2 3.53Å; F654-F662 AromaticContact CE2-CE1 3.84Å; F654-F662 HydrophobicContact CE2-CE1 3.84Å; F654-F662 AromaticContact CE2-CE2 3.52Å; F654-F662 HydrophobicContact CE2-CE2 3.52Å; F654-F662 AromaticContact CE2-CG 3.71Å; F654-F662 HydrophobicContact CE2-CG 3.71Å; F654-F662 AromaticContact CE2-CZ 3.68Å; F654-F662 HydrophobicContact CE2-CZ 3.68Å; F654-F662 HydrophobicContact CG-CD2 4.31Å; F654-F662 HydrophobicContact CZ-CE2 4.35Å; M655-F662 HydrophobicContact CE-CE1 4.42Å; M655-F662 HydrophobicContact CG-CD1 4.4Å; F662-P664 HydrophobicContact CE1-CB 4Å; F662-T666 HydrophobicContact CE2-CG2 4.46Å; F662-V670 HydrophobicContact CE2-CG2 4.43Å; F662-I673 HydrophobicContact CE2-CD1 4.46Å; F662-L704 HydrophobicContact CE1-CD2 4.3Å; F662-L704 HydrophobicContact CE2-CD1 4.48Å; F662-L704 HydrophobicContact CZ-CD1 3.92Å; F662-L704 HydrophobicContact CZ-CD2 3.88Å; F662-L739 HydrophobicContact CZ-CD2 4.17Å
663D93.6Very high89.4Confident62 Ų6265.8 Ų65.833%0.33235%0.352SS..  trans-96.1115.2171172.119.8000110.1V584 F665 T666V584-D663 HydrophobicContact CG2-CB 4.01Å; D663-F665 PolarHBondContact O-N 3.39Å; D663-F665 WeakPolarHBondContact OD1-CB 3.34Å; D663-F665 PolarHBondContact OD1-N 3.09Å; D663-T666 WeakPolarHBondContact O-CB 3.48Å; D663-T666 VanDerWaalsContact O-CG2 3.22Å; D663-T666 WeakPolarHBondContact O-CG2 3.42Å; D663-T666 PolarHBondContact O-N 3.48Å; D663-T666 PolarHBondContact OD2-N 3.34Å
664P92.5Very high89.4Confident1 Ų165.4 Ų65.41%0.00636%0.356CS..THydrogen-bonded Turntrans-67.5-11.7177.428.5-34.7000114.4L579 P583 V587 N616 F662 L704 P705L579-P664 HydrophobicContact CD1-CG 4.39Å; P583-P664 HydrophobicContact CB-CG 3.82Å; V587-P664 HydrophobicContact CG2-CG 4.39Å; N616-P664 HydrophobicContact CB-CB 4.17Å; N616-P664 WeakPolarHBondContact O-CB 3.4Å; F662-P664 HydrophobicContact CE1-CB 4Å; P664-L704 HydrophobicContact CB-CD2 4.46Å; P664-P705 WeakPolarHBondContact O-CD 3.24Å
665F93.8Very high89.6Confident87 Ų8764.6 Ų64.638%0.38235%0.354SS..THydrogen-bonded Turntrans-96.22.3176.3-68.7-84.1000114.1L579 P583 D663 E667 P705L579-F665 HydrophobicContact CD1-CE2 3.76Å; L579-F665 HydrophobicContact CD1-CZ 4.14Å; L579-F665 HydrophobicContact CG-CE2 4.19Å; L579-F665 HydrophobicContact CG-CZ 4.15Å; L579-F665 WeakPolarHBondContact O-CE2 3.45Å; P583-F665 HydrophobicContact CB-CD2 3.9Å; P583-F665 HydrophobicContact CB-CE2 3.9Å; P583-F665 HydrophobicContact CG-CD2 4.14Å; P583-F665 HydrophobicContact CG-CE2 4.39Å; D663-F665 PolarHBondContact O-N 3.39Å; D663-F665 WeakPolarHBondContact OD1-CB 3.34Å; D663-F665 PolarHBondContact OD1-N 3.09Å; F665-E667 PolarHBondContact O-N 3.29Å; F665-P705 HydrophobicContact CD1-CB 4.36Å; F665-P705 HydrophobicContact CD1-CG 3.82Å; F665-P705 HydrophobicContact CE1-CG 3.88Å
666T89.8Confident89.6Confident32 Ų3264.9 Ų64.920%0.19636%0.356CS..  trans-57.7123.5-177.1-171.60000113.3F662 D663 G668 V670 V706 V738F662-T666 HydrophobicContact CE2-CG2 4.46Å; D663-T666 WeakPolarHBondContact O-CB 3.48Å; D663-T666 VanDerWaalsContact O-CG2 3.22Å; D663-T666 WeakPolarHBondContact O-CG2 3.42Å; D663-T666 PolarHBondContact O-N 3.48Å; D663-T666 PolarHBondContact OD2-N 3.34Å; T666-G668 VanDerWaalsContact C-N 3.3Å; T666-G668 PolarHBondContact OG1-N 3.1Å; T666-V670 HydrophobicContact CG2-CG2 3.59Å; T666-V706 WeakPolarHBondContact O-CG1 3.33Å; T666-V738 HydrophobicContact CG2-CG1 4.41Å
667E85.2Confident89.6Confident164 Ų16463.8 Ų63.877%0.76635%0.353SS*.  trans-83.4-7.4170.9-62.2-171.4176.600112.6F665 K736F665-E667 PolarHBondContact O-N 3.29Å; E667-K736 PolarHBondContact O-NZ 3.11Å
668G83Confident89.7Confident30 Ų3059.5 Ų59.531%0.30934%0.337SS..SBendtrans-72.1-175-175.200000114.2T666 K736 V738T666-G668 VanDerWaalsContact C-N 3.3Å; T666-G668 PolarHBondContact OG1-N 3.1Å; G668-K736 VanDerWaalsContact O-CE 3.24Å; G668-K736 WeakPolarHBondContact O-CE 3.37Å; G668-K736 PolarHBondContact O-NZ 2.82Å; G668-V738 WeakPolarHBondContact O-CG2 3.38Å
669I84.5Confident89.9Confident94 Ų9455 Ų5548%0.48231%0.308SS..PPolyproline II helixtrans-94.9143.414654.3175.4000106.1A675 K736 Y798I669-A675 HydrophobicContact CG2-CB 4.08Å; I669-K736 HydrophobicContact CG2-CD 4.4Å; I669-Y798 HydrophobicContact CG2-CD1 3.98Å; I669-Y798 HydrophobicContact CG2-CE1 3.94Å
670V85.9Confident90.1Very high35 Ų3550.6 Ų50.621%0.21229%0.285CS..PPolyproline II helixtrans-98.8136.1-175.8-178.90000109.3F662 T666 G672 I673 V738F662-V670 HydrophobicContact CE2-CG2 4.43Å; T666-V670 HydrophobicContact CG2-CG2 3.59Å; V670-G672 PolarHBondContact O-N 3.01Å; V670-I673 HydrophobicContact CB-CB 4.23Å; V670-I673 HydrophobicContact CB-CD1 3.68Å; V670-I673 HydrophobicContact CB-CG1 3.89Å; V670-I673 HydrophobicContact CG1-CD1 3.81Å; V670-I673 HydrophobicContact CG1-CG1 4.02Å; V670-I673 HydrophobicContact CG2-CD1 4.22Å; V670-I673 PolarHBondContact O-N 3.13Å; V670-V738 HydrophobicContact CG2-CG1 4.34Å
671D82.9Confident90.4Very high130 Ų13051.3 Ų51.370%0.69529%0.288SS*.THydrogen-bonded Turntrans-57.1127.4177.2171.759.2000112.2K660 I673K660-D671 IonicContact NZ-OD2 3.38Å; K660-D671 PolarHBondContact NZ-OD2 2.81Å; D671-I673 VanDerWaalsContact C-N 3.34Å
672G83.3Confident90.8Very high71 Ų7145.2 Ų45.273%0.73226%0.26SS*.THydrogen-bonded Turntrans82-1.1-174.600000115.5V670V670-G672 PolarHBondContact O-N 3.01Å
673I88.2Confident91.1Very high27 Ų2745.9 Ų45.914%0.13826%0.263CS..  trans-104.7118174.3-51-171.3000110.2F654 F662 V670 D671 A675 V738 L739F654-I673 HydrophobicContact CD1-CD1 3.41Å; F654-I673 VanDerWaalsContact CD1-CD1 3.41Å; F654-I673 HydrophobicContact CD1-CG1 3.88Å; F654-I673 HydrophobicContact CD2-CD1 4.26Å; F654-I673 HydrophobicContact CE1-CD1 3.34Å; F654-I673 HydrophobicContact CE1-CG1 4.05Å; F654-I673 HydrophobicContact CE2-CD1 4.17Å; F654-I673 HydrophobicContact CG-CD1 3.92Å; F654-I673 HydrophobicContact CZ-CD1 3.75Å; F662-I673 HydrophobicContact CE2-CD1 4.46Å; V670-I673 HydrophobicContact CB-CB 4.23Å; V670-I673 HydrophobicContact CB-CD1 3.68Å; V670-I673 HydrophobicContact CB-CG1 3.89Å; V670-I673 HydrophobicContact CG1-CD1 3.81Å; V670-I673 HydrophobicContact CG1-CG1 4.02Å; V670-I673 HydrophobicContact CG2-CD1 4.22Å; V670-I673 PolarHBondContact O-N 3.13Å; D671-I673 VanDerWaalsContact C-N 3.34Å; I673-A675 PolarHBondContact O-N 3.43Å; I673-A675 VanDerWaalsContact O-N 3.17Å; I673-V738 WeakPolarHBondContact CG2-O 3.41Å; I673-L739 HydrophobicContact CD1-CD1 4.39Å; I673-L739 HydrophobicContact CG2-CD1 4.18Å
674V90.6Very high91.3Very high94 Ų9443 Ų4357%0.5725%0.248SC*.  trans-76.6101.6170.4-174.60000108.9D797V674-D797 HydrophobicContact CG1-CB 3.82Å; V674-D797 VanDerWaalsContact CG1-OD1 3.27Å; V674-D797 WeakPolarHBondContact CG1-OD1 3.17Å
675A93.9Very high91.5Very high7 Ų743 Ų436%0.05825%0.248CC..  trans-66.9156.7170.700000110.8I669 I673 V737 Y798I669-A675 HydrophobicContact CG2-CB 4.08Å; I673-A675 PolarHBondContact O-N 3.43Å; I673-A675 VanDerWaalsContact O-N 3.17Å; A675-V737 CarbonylContact C-O 3.57Å; A675-V737 VanDerWaalsContact CA-O 3.25Å; A675-V737 WeakPolarHBondContact CA-O 3.26Å; A675-V737 VanDerWaalsContact CB-O 3.26Å; A675-V737 WeakPolarHBondContact CB-O 3.26Å; A675-Y798 HydrophobicContact CB-CD1 4.07Å; A675-Y798 HydrophobicContact CB-CG 4.39Å; A675-Y798 PolarHBondContact O-N 2.85Å
676N94.9Very high91.6Very high7 Ų739.4 Ų39.44%0.03723%0.233CC..EExtended strand (participates in β ladder)trans-122.5153.9178.6-77-176000112.2R257 V737 P740 K796 D797R257-N676 WeakPolarHBondContact CD-OD1 3.42Å; R257-N676 PolarHBondContact NH1-OD1 3.31Å; N676-V737 PolarHBondContact N-O 3.05Å; N676-V737 WeakPolarHBondContact O-CB 3.32Å; N676-V737 PolarHBondContact O-N 3.21Å; N676-P740 HydrophobicContact CB-CB 4.14Å; N676-P740 HydrophobicContact CB-CG 3.57Å; N676-K796 CarbonylContact C-O 3.44Å; N676-K796 VanDerWaalsContact CA-O 3.31Å; N676-K796 WeakPolarHBondContact CA-O 3.48Å; N676-K796 WeakPolarHBondContact CB-O 3.49Å; N676-D797 PolarHBondContact ND2-OD1 3.48Å
677T95Very high91.9Very high18 Ų1838.9 Ų38.911%0.1123%0.228CC..EExtended strand (participates in β ladder)trans-99.6129.1159.2-60.80000108.1V733 K735 V795 K796T677-V733 HydrophobicContact CG2-CG1 4.47Å; T677-K735 WeakPolarHBondContact CB-O 3.45Å; T677-K735 PolarHBondContact OG1-O 3.01Å; T677-V795 WeakPolarHBondContact O-CA 3.35Å; T677-K796 PolarHBondContact N-O 3.15Å; T677-K796 PolarHBondContact O-N 3.41Å; T677-K796 VanDerWaalsContact O-N 3.1Å
678L95.9Very high92.5Very high0 Ų031.2 Ų31.20%019%0.192CC..EExtended strand (participates in β ladder)trans-117.7131.3172.6177.369.4000109.3V680 M701 F734 L745 V764 I793 E794 V795L678-V680 HydrophobicContact CD1-CG2 4.35Å; L678-V680 HydrophobicContact CD2-CG2 4.29Å; L678-V680 HydrophobicContact CG-CG2 4.11Å; L678-M701 HydrophobicContact CB-CE 4.42Å; L678-M701 HydrophobicContact CD2-CE 3.5Å; L678-M701 VanDerWaalsContact CD2-CE 3.5Å; L678-F734 HydrophobicContact CB-CB 4.26Å; L678-F734 HydrophobicContact CB-CD2 4.35Å; L678-F734 HydrophobicContact CD2-CD2 4.14Å; L678-F734 HydrophobicContact CG-CD2 4.23Å; L678-F734 PolarHBondContact N-O 3.01Å; L678-F734 VanDerWaalsContact N-O 3.12Å; L678-F734 WeakPolarHBondContact O-CA 3.28Å; L678-F734 WeakPolarHBondContact O-CB 3.12Å; L678-F734 PolarHBondContact O-N 3.44Å; L678-L745 HydrophobicContact CD2-CB 4.47Å; L678-L745 HydrophobicContact CD2-CD1 4Å; L678-L745 HydrophobicContact CD2-CD2 4.41Å; L678-V764 HydrophobicContact CD2-CG2 4.31Å; L678-I793 HydrophobicContact CD1-CG2 3.79Å; L678-E794 CarbonylContact C-O 3.21Å; L678-E794 WeakPolarHBondContact CA-O 3.3Å; L678-V795 HydrophobicContact CD1-CB 4.35Å; L678-V795 HydrophobicContact CD1-CG1 4.03Å; L678-V795 HydrophobicContact CD1-CG2 3.72Å
679S95.6Very high93Very high13 Ų1330.5 Ų30.59%0.09118%0.182CC..EExtended strand (participates in β ladder)trans-120.6140168.2-166.70000110.4P731 I732 I793 E794S679-P731 VanDerWaalsContact OG-CB 3.26Å; S679-P731 WeakPolarHBondContact OG-CB 3.45Å; S679-I732 VanDerWaalsContact CA-O 3.32Å; S679-I732 WeakPolarHBondContact CA-O 3.37Å; S679-I793 WeakPolarHBondContact O-CA 3.47Å; S679-E794 PolarHBondContact N-O 3.17Å; S679-E794 PolarHBondContact O-N 2.66Å
680V95.8Very high93.3Very high0 Ų030.3 Ų30.30%018%0.182CC..EExtended strand (participates in β ladder)trans-133.9112.4179-175.50000109.4L678 I682 I732 F734 L745 I747L678-V680 HydrophobicContact CD1-CG2 4.35Å; L678-V680 HydrophobicContact CD2-CG2 4.29Å; L678-V680 HydrophobicContact CG-CG2 4.11Å; V680-I682 HydrophobicContact CG1-CD1 4.05Å; V680-I732 PolarHBondContact N-O 2.86Å; V680-I732 WeakPolarHBondContact O-CB 3.49Å; V680-I732 WeakPolarHBondContact O-CD1 3.49Å; V680-I732 WeakPolarHBondContact O-CG1 3.43Å; V680-I732 PolarHBondContact O-N 3.24Å; V680-F734 HydrophobicContact CG2-CE2 4.43Å; V680-L745 HydrophobicContact CG2-CD1 4.2Å; V680-L745 HydrophobicContact CG2-CD2 3.79Å; V680-I747 HydrophobicContact CG1-CD1 4.18Å
681K96.2Very high93.6Very high70 Ų7033.5 Ų33.530%0.30419%0.193SC..EExtended strand (participates in β ladder)trans-98.9112.9167.8-175.5170.9-178.4160.70108.8I683 E729 P731 V791 Y792K681-I683 HydrophobicContact CG-CG1 4.24Å; K681-E729 WeakPolarHBondContact CE-O 3.44Å; K681-P731 HydrophobicContact CB-CB 4.24Å; K681-P731 HydrophobicContact CB-CG 4.27Å; K681-P731 HydrophobicContact CD-CG 4.29Å; K681-V791 CarbonylContact O-C 3.51Å; K681-V791 VanDerWaalsContact O-CA 3.31Å; K681-V791 WeakPolarHBondContact O-CA 3.4Å; K681-V791 WeakPolarHBondContact O-CB 3.42Å; K681-Y792 PolarHBondContact N-O 2.97Å; K681-Y792 PolarHBondContact O-N 2.91Å
682I96.4Very high94Very high3 Ų334.1 Ų34.12%0.01519%0.19CC..EExtended strand (participates in β ladder)trans-70.8129.4164.8-53.7-54.7000106.9V680 V697 V699 T715 W727 I732 I747 V789 V791V680-I682 HydrophobicContact CG1-CD1 4.05Å; I682-V697 HydrophobicContact CD1-CG1 4.07Å; I682-V697 HydrophobicContact CG1-CB 4.48Å; I682-V697 HydrophobicContact CG1-CG1 4.21Å; I682-V697 HydrophobicContact CG2-CB 4.29Å; I682-V697 HydrophobicContact CG2-CG2 3.98Å; I682-V699 HydrophobicContact CD1-CG2 4Å; I682-V699 HydrophobicContact CG1-CG2 4.15Å; I682-T715 HydrophobicContact CB-CG2 4.19Å; I682-T715 HydrophobicContact CG1-CG2 4.38Å; I682-T715 HydrophobicContact CG2-CG2 4.08Å; I682-W727 HydrophobicContact CG2-CD2 4.42Å; I682-W727 HydrophobicContact CG2-CE3 3.71Å; I682-W727 HydrophobicContact CG2-CZ3 4.22Å; I682-I732 HydrophobicContact CG1-CD1 4.48Å; I682-I747 HydrophobicContact CD1-CD1 4.28Å; I682-I747 HydrophobicContact CD1-CG2 4.36Å; I682-V789 HydrophobicContact CG2-CG1 4.06Å; I682-V791 HydrophobicContact CD1-CG1 3.7Å
683I96.4Very high94.6Very high18 Ų1832 Ų329%0.09216%0.163CC..EExtended strand (participates in β ladder)trans-110.3-53.8-178.4-56175.5000110.2E224 I228 K681 V726 W727 Y771 F790E224-I683 HydrophobicContact CB-CG2 3.91Å; E224-I683 HydrophobicContact CG-CG2 3.83Å; I228-I683 HydrophobicContact CD1-CD1 4.48Å; K681-I683 HydrophobicContact CG-CG1 4.24Å; I683-V726 WeakPolarHBondContact O-CG1 3.45Å; I683-W727 PolarHBondContact O-N 3.06Å; I683-Y771 HydrophobicContact CD1-CD1 3.91Å; I683-Y771 HydrophobicContact CD1-CE1 4.08Å; I683-F790 HydrophobicContact CB-CD1 4.09Å; I683-F790 WeakPolarHBondContact CB-O 3.43Å; I683-F790 HydrophobicContact CD1-CD1 4.16Å; I683-F790 HydrophobicContact CD1-CE1 4.04Å; I683-F790 HydrophobicContact CG2-CD1 4.16Å; I683-F790 PolarHBondContact N-O 3.2Å
684S97.1Very high95Very high1 Ų130.7 Ų30.71%0.00716%0.156CC..EExtended strand (participates in β ladder)trans-158.8174-17765.60000112.6E224 P725 W727 V789 F790E224-S684 WeakPolarHBondContact OE1-CB 3.14Å; E224-S684 PolarHBondContact OE1-OG 2.91Å; S684-P725 CarbonylContact C-O 3.57Å; S684-P725 WeakPolarHBondContact CA-O 3.4Å; S684-P725 WeakPolarHBondContact CB-O 3.36Å; S684-W727 VanDerWaalsContact C-CZ3 3.48Å; S684-V789 CarbonylContact O-C 3.57Å; S684-V789 WeakPolarHBondContact O-CA 3.46Å; S684-V789 WeakPolarHBondContact O-CG1 3.3Å; S684-F790 PolarHBondContact N-O 3.19Å; S684-F790 VanDerWaalsContact N-O 3.17Å; S684-F790 PolarHBondContact O-N 3.16Å
685G96.7Very high95.3Very high1 Ų126.2 Ų26.21%0.0113%0.129CC..EExtended strand (participates in β ladder)trans-138.2162.5174.900000112.2N724 P725 A788G685-N724 WeakPolarHBondContact O-CA 3.47Å; G685-P725 PolarHBondContact N-O 2.86Å; G685-P725 WeakPolarHBondContact O-CD 3.31Å; G685-A788 CarbonylContact C-O 3.56Å; G685-A788 WeakPolarHBondContact CA-O 3.26Å
686Q96.7Very high95.4Very high12 Ų1226.8 Ų26.86%0.05613%0.129CC..EExtended strand (participates in β ladder)trans-135.1132-174.4-65.5-179.4-18.300110.9R148 R222 L688 V723 P787 A788R148-Q686 VanDerWaalsContact CZ-OE1 3.24Å; R222-Q686 VanDerWaalsContact CZ-NE2 3.34Å; Q686-L688 VanDerWaalsContact C-N 3.29Å; Q686-L688 WeakPolarHBondContact O-CD2 3.36Å; Q686-L688 PolarHBondContact O-N 3.35Å; Q686-V723 WeakPolarHBondContact CA-O 3.47Å; Q686-P787 WeakPolarHBondContact O-CA 3.31Å; Q686-A788 PolarHBondContact N-O 2.83Å; Q686-A788 PolarHBondContact O-N 3.04Å; Q686-A788 VanDerWaalsContact O-N 3.16Å
687F96.9Very high95.5Very high21 Ų2126.4 Ų26.49%0.09213%0.128CC..SBendtrans4747.2169.9-50.2-55.2000114L152 F178 L216 L219 C220 A722 V723 L786 P787L152-F687 HydrophobicContact CD2-CE2 4.19Å; F178-F687 AromaticContact CD1-CD1 3.92Å; F178-F687 HydrophobicContact CD1-CD1 3.92Å; F178-F687 AromaticContact CD1-CE1 3.83Å; F178-F687 HydrophobicContact CD1-CE1 3.83Å; F178-F687 HydrophobicContact CD1-CG 4.48Å; F178-F687 HydrophobicContact CD1-CZ 4.33Å; F178-F687 HydrophobicContact CE1-CD1 4.14Å; F178-F687 HydrophobicContact CE1-CD2 4.38Å; F178-F687 AromaticContact CE1-CE1 3.92Å; F178-F687 HydrophobicContact CE1-CE1 3.92Å; F178-F687 HydrophobicContact CE1-CE2 4.19Å; F178-F687 HydrophobicContact CE1-CG 4.37Å; F178-F687 AromaticContact CE1-CZ 3.95Å; F178-F687 HydrophobicContact CE1-CZ 3.95Å; L216-F687 HydrophobicContact CD2-CE2 4.27Å; L216-F687 HydrophobicContact CD2-CZ 3.95Å; L219-F687 HydrophobicContact CD2-CE1 3.9Å; L219-F687 HydrophobicContact CD2-CZ 4.28Å; L219-F687 HydrophobicContact CG-CE1 4.15Å; C220-F687 HydrophobicContact CB-CE1 3.98Å; C220-F687 HydrophobicContact CB-CZ 3.64Å; F687-A722 PolarHBondContact N-O 3.44Å; F687-V723 HydrophobicContact CD1-CG1 4.15Å; F687-V723 HydrophobicContact CE1-CG1 4.02Å; F687-V723 PolarHBondContact N-O 2.89Å; F687-L786 HydrophobicContact CB-CB 3.81Å; F687-L786 HydrophobicContact CB-CD1 4.43Å; F687-L786 HydrophobicContact CD2-CD2 4.23Å; F687-P787 WeakPolarHBondContact O-CG 3.42Å
688L96.7Very high95.5Very high4 Ų426.6 Ų26.62%0.02113%0.127CC..  trans-78.9-30.5-165.9-59.3172.7000113.8Q686 T695 A722 P725 W727 V749 I757 L776 P787 A788Q686-L688 VanDerWaalsContact C-N 3.29Å; Q686-L688 WeakPolarHBondContact O-CD2 3.36Å; Q686-L688 PolarHBondContact O-N 3.35Å; L688-T695 HydrophobicContact CB-CG2 4.32Å; L688-T695 HydrophobicContact CD1-CG2 4.38Å; L688-A722 PolarHBondContact N-O 3.29Å; L688-P725 HydrophobicContact CD1-CG 3.61Å; L688-W727 HydrophobicContact CD1-CH2 3.67Å; L688-W727 HydrophobicContact CD1-CZ2 4.39Å; L688-V749 HydrophobicContact CD1-CG1 4.19Å; L688-V749 HydrophobicContact CD2-CG1 4.44Å; L688-I757 HydrophobicContact CB-CD1 4.21Å; L688-I757 WeakPolarHBondContact O-CG2 3.37Å; L688-L776 HydrophobicContact CD2-CD1 4.01Å; L688-P787 HydrophobicContact CD2-CB 4.39Å; L688-A788 WeakPolarHBondContact CD2-O 3.47Å
689S94.3Very high95.5Very high15 Ų1526.6 Ų26.611%0.10513%0.127CC..  trans-132.9158.2179.7-179.90000110.2A180 K691 E751A180-S689 WeakPolarHBondContact CB-O 3.15Å; S689-K691 PolarHBondContact O-N 3.27Å; S689-K691 PolarHBondContact OG-N 3.09Å; S689-K691 VanDerWaalsContact OG-N 3.13Å; S689-E751 WeakPolarHBondContact CB-OE1 3.46Å; S689-E751 PolarHBondContact OG-OE1 2.9Å
690D90.6Very high95.4Very high89 Ų8926.2 Ų26.248%0.47612%0.124SC..SBendtrans-75-9.5168.465.6-47.4000112.5S179 A180S179-D690 CarbonylContact C-O 3.58Å; S179-D690 WeakPolarHBondContact CB-O 3.35Å; S179-D690 PolarHBondContact OG-O 3.17Å; A180-D690 PolarHBondContact N-O 3.5Å
691K91.4Very high95.4Very high103 Ų10326.3 Ų26.345%0.44812%0.124SC..SBendtrans-119.1158.8-171.2-65.2161.9-165.4173.70112.8S689 V693S689-K691 PolarHBondContact O-N 3.27Å; S689-K691 PolarHBondContact OG-N 3.09Å; S689-K691 VanDerWaalsContact OG-N 3.13Å; K691-V693 HydrophobicContact CB-CG1 4.38Å; K691-V693 PolarHBondContact O-N 2.85Å; K691-V693 VanDerWaalsContact O-N 3.15Å
692K92.6Very high95.4Very high142 Ų14223 Ų2362%0.61711%0.11SC*.SBendtrans-79.589.9166.9-161.8161.2-175.8159.70109.8A180 D181 G720A180-K692 WeakPolarHBondContact O-CB 3.36Å; D181-K692 IonicContact OD2-NZ 3.45Å; D181-K692 PolarHBondContact OD2-NZ 3.32Å; K692-G720 WeakPolarHBondContact CG-O 3.43Å
693V94.9Very high95.4Very high27 Ų2722.9 Ų22.916%0.16411%0.11CC..  trans-141.2154-174.667.80000109.9K691 T695 G720 A722 E751 E752K691-V693 HydrophobicContact CB-CG1 4.38Å; K691-V693 PolarHBondContact O-N 2.85Å; K691-V693 VanDerWaalsContact O-N 3.15Å; V693-T695 HydrophobicContact CG1-CG2 4.42Å; V693-G720 CarbonylContact O-C 3.56Å; V693-A722 HydrophobicContact CG1-CB 4.45Å; V693-E751 HydrophobicContact CG1-CB 4.27Å; V693-E751 HydrophobicContact CG1-CG 3.83Å; V693-E751 HydrophobicContact CG2-CB 4.23Å; V693-E752 HydrophobicContact CG2-CB 4.02Å
694G95.8Very high95.3Very high0 Ų022 Ų220%011%0.105CC..  trans-66.9150.516800000111.5S718 E751 E752G694-S718 WeakPolarHBondContact CA-O 3.44Å; G694-E751 CarbonylContact O-C 3.57Å; G694-E751 WeakPolarHBondContact O-CA 3.49Å; G694-E752 PolarHBondContact N-OE2 3.5Å; G694-E752 PolarHBondContact O-N 3.44Å
695T96.8Very high95.2Very high0 Ų024.6 Ų24.60%012%0.122CC..EExtended strand (participates in β ladder)trans-137.3149.6177.855.70000111.2L688 V693 T717 S718 A722 W727 Y750 I757L688-T695 HydrophobicContact CB-CG2 4.32Å; L688-T695 HydrophobicContact CD1-CG2 4.38Å; V693-T695 HydrophobicContact CG1-CG2 4.42Å; T695-T717 CarbonylContact O-C 3.43Å; T695-T717 WeakPolarHBondContact O-CA 3.31Å; T695-S718 PolarHBondContact N-OG 2.86Å; T695-S718 PolarHBondContact O-N 3.32Å; T695-S718 PolarHBondContact O-OG 2.94Å; T695-S718 PolarHBondContact OG1-OG 3.12Å; T695-S718 VanDerWaalsContact OG1-OG 3.12Å; T695-A722 HydrophobicContact CG2-CB 3.92Å; T695-W727 PolarHBondContact O-NE1 3.12Å; T695-Y750 VanDerWaalsContact CA-O 3.28Å; T695-Y750 WeakPolarHBondContact CA-O 3.48Å; T695-I757 HydrophobicContact CG2-CD1 3.76Å
696Y96.3Very high95Very high18 Ų1826 Ų267%0.07113%0.13CC..EExtended strand (participates in β ladder)trans-140.1157.6175.764.4-97.3000111.4E698 K714 T715 T717 V749 Y750 E751Y696-E698 HydrophobicContact CD2-CG 3.93Å; Y696-E698 HydrophobicContact CE2-CG 3.68Å; Y696-E698 WeakPolarHBondContact CE2-OE1 3.46Å; Y696-K714 HydrophobicContact CD2-CD 3.89Å; Y696-K714 HydrophobicContact CD2-CG 3.89Å; Y696-K714 HydrophobicContact CE2-CD 3.92Å; Y696-K714 VanDerWaalsContact CE2-CE 3.4Å; Y696-K714 HydrophobicContact CE2-CG 4.39Å; Y696-K714 HydrophobicContact CG-CG 4.46Å; Y696-K714 PolarHBondContact OH-NZ 3.37Å; Y696-T715 WeakPolarHBondContact CA-OG1 3.36Å; Y696-T717 HydrophobicContact CD1-CG2 4.5Å; Y696-V749 WeakPolarHBondContact O-CA 3.16Å; Y696-V749 WeakPolarHBondContact O-CG1 3.09Å; Y696-Y750 HydrophobicContact CD2-CD2 4.35Å; Y696-Y750 AromaticContact CE2-CD2 3.71Å; Y696-Y750 HydrophobicContact CE2-CD2 3.71Å; Y696-Y750 AromaticContact CE2-CG 3.85Å; Y696-Y750 HydrophobicContact CE2-CG 3.85Å; Y696-Y750 AromaticContact CZ-CG 3.94Å; Y696-Y750 PolarHBondContact N-O 3.29Å; Y696-Y750 PolarHBondContact O-N 2.99Å; Y696-E751 WeakPolarHBondContact CE1-O 3.39Å
697V96.7Very high94.9Very high0 Ų025.7 Ų25.70%013%0.129CC..EExtended strand (participates in β ladder)trans-111.1129.3177.4-171.10000109.3I682 V699 K714 T715 W727 I747 A748 V749I682-V697 HydrophobicContact CD1-CG1 4.07Å; I682-V697 HydrophobicContact CG1-CB 4.48Å; I682-V697 HydrophobicContact CG1-CG1 4.21Å; I682-V697 HydrophobicContact CG2-CB 4.29Å; I682-V697 HydrophobicContact CG2-CG2 3.98Å; V697-V699 HydrophobicContact CG1-CG2 4.35Å; V697-K714 WeakPolarHBondContact O-CA 3.08Å; V697-T715 HydrophobicContact CB-CG2 3.89Å; V697-T715 HydrophobicContact CG2-CG2 4.36Å; V697-T715 PolarHBondContact N-OG1 3.24Å; V697-T715 PolarHBondContact O-N 2.92Å; V697-W727 HydrophobicContact CG2-CE3 4.16Å; V697-W727 HydrophobicContact CG2-CH2 3.59Å; V697-W727 HydrophobicContact CG2-CZ2 4.05Å; V697-W727 HydrophobicContact CG2-CZ3 3.65Å; V697-I747 HydrophobicContact CG1-CG2 3.53Å; V697-A748 CarbonylContact C-O 3.56Å; V697-A748 WeakPolarHBondContact CA-O 3.2Å; V697-V749 HydrophobicContact CG1-CG2 4.39Å; V697-V749 HydrophobicContact CG2-CG1 4.43Å; V697-V749 HydrophobicContact CG2-CG2 4.1Å
698E95.6Very high94.8Very high22 Ų2226.5 Ų26.510%0.10314%0.135CC..EExtended strand (participates in β ladder)trans-102.2142166.6-62.1-172.1170.100109.4Y696 F713 K714 A748 Y750Y696-E698 HydrophobicContact CD2-CG 3.93Å; Y696-E698 HydrophobicContact CE2-CG 3.68Å; Y696-E698 WeakPolarHBondContact CE2-OE1 3.46Å; E698-F713 WeakPolarHBondContact CA-O 3.43Å; E698-K714 HydrophobicContact CG-CB 4.23Å; E698-K714 HydrophobicContact CG-CD 4.3Å; E698-K714 HydrophobicContact CG-CG 4.26Å; E698-K714 IonicContact OE1-NZ 3.06Å; E698-A748 PolarHBondContact N-O 3.45Å; E698-A748 PolarHBondContact O-N 2.69Å; E698-Y750 HydrophobicContact CB-CE2 4.25Å; E698-Y750 HydrophobicContact CG-CD2 4.2Å; E698-Y750 HydrophobicContact CG-CE2 4.17Å
699V95.8Very high94.4Very high0 Ų032.1 Ų32.10%016%0.157CC..EExtended strand (participates in β ladder)trans-125.2121.3177.4-174.20000109I682 V697 A712 F713 I732 F734 L745 R746 I747I682-V699 HydrophobicContact CD1-CG2 4Å; I682-V699 HydrophobicContact CG1-CG2 4.15Å; V697-V699 HydrophobicContact CG1-CG2 4.35Å; V699-A712 PolarHBondContact O-N 3.32Å; V699-F713 PolarHBondContact N-O 2.93Å; V699-F713 PolarHBondContact O-N 3.46Å; V699-I732 HydrophobicContact CB-CD1 3.82Å; V699-I732 HydrophobicContact CG1-CD1 4.18Å; V699-I732 HydrophobicContact CG2-CD1 3.58Å; V699-F734 HydrophobicContact CG1-CE2 4.43Å; V699-F734 HydrophobicContact CG1-CZ 4.19Å; V699-L745 HydrophobicContact CG1-CD1 3.66Å; V699-L745 HydrophobicContact CG1-CG 4.43Å; V699-R746 WeakPolarHBondContact CA-O 3.43Å; V699-I747 HydrophobicContact CG1-CG1 4.34Å; V699-I747 HydrophobicContact CG2-CG1 4.32Å
700D94.6Very high93.9Very high5 Ų538.7 Ų38.73%0.02718%0.179CC..EExtended strand (participates in β ladder)trans-115.8152.7176.5-55.8-68.7000110.4F702 R709 R710 K711 R746D700-F702 HydrophobicContact CB-CD2 4.22Å; D700-F702 HydrophobicContact CB-CE2 3.41Å; D700-F702 VanDerWaalsContact CB-CE2 3.41Å; D700-F702 HydrophobicContact CB-CZ 3.79Å; D700-R709 WeakPolarHBondContact CA-O 3.47Å; D700-R710 WeakPolarHBondContact OD1-CA 3.3Å; D700-K711 PolarHBondContact OD1-N 3.46Å; D700-R746 HydrophobicContact CB-CB 4.24Å; D700-R746 PolarHBondContact N-O 2.67Å; D700-R746 PolarHBondContact O-N 3.16Å; D700-R746 IonicContact OD2-CZ 2.73Å; D700-R746 IonicContact OD2-NH1 3.48Å; D700-R746 PolarHBondContact OD2-NH1 2.86Å
701M95.5Very high93Very high1 Ų142.1 Ų42.11%0.00519%0.19CC..EExtended strand (participates in β ladder)trans-120.3137.1160.5-176.7173.2-72.400110L678 T708 R709 F734 V737 C744 V764L678-M701 HydrophobicContact CB-CE 4.42Å; L678-M701 HydrophobicContact CD2-CE 3.5Å; L678-M701 VanDerWaalsContact CD2-CE 3.5Å; M701-T708 CarbonylContact O-C 3.47Å; M701-T708 WeakPolarHBondContact O-CA 3.19Å; M701-R709 PolarHBondContact N-O 2.91Å; M701-R709 PolarHBondContact O-N 2.95Å; M701-F734 HydrophobicContact CB-CD1 4Å; M701-F734 HydrophobicContact CB-CE1 3.61Å; M701-F734 HydrophobicContact CB-CZ 4.24Å; M701-F734 HydrophobicContact CE-CB 3.86Å; M701-F734 HydrophobicContact CE-CD1 3.66Å; M701-F734 HydrophobicContact CE-CD2 3.88Å; M701-F734 HydrophobicContact CE-CE1 4.16Å; M701-F734 HydrophobicContact CE-CE2 4.35Å; M701-F734 HydrophobicContact CE-CG 3.52Å; M701-F734 HydrophobicContact CE-CZ 4.48Å; M701-F734 HydrophobicContact SD-CB 4.45Å; M701-F734 HydrophobicContact SD-CD1 3.91Å; M701-F734 HydrophobicContact SD-CE1 4.48Å; M701-F734 HydrophobicContact SD-CG 4.26Å; M701-V737 HydrophobicContact CE-CG2 3.81Å; M701-V737 HydrophobicContact SD-CG1 4.18Å; M701-V737 HydrophobicContact SD-CG2 3.72Å; M701-C744 WeakPolarHBondContact CA-O 3.41Å; M701-V764 HydrophobicContact CE-CG2 4.23Å
702F96.2Very high91.8Very high2 Ų239.6 Ų39.61%0.00919%0.188CC..EExtended strand (participates in β ladder)trans-121.9145.4172.5-56.2-90.7000108.9M610 Q612 L631 I635 D700 R710 A743 C744 R746M610-F702 HydrophobicContact CE-CD1 4.3Å; M610-F702 HydrophobicContact CE-CE1 3.89Å; M610-F702 HydrophobicContact SD-CD1 4.17Å; M610-F702 HydrophobicContact SD-CE1 4.36Å; Q612-F702 HydrophobicContact CG-CB 4.46Å; L631-F702 HydrophobicContact CD1-CZ 4.16Å; L631-F702 HydrophobicContact CD2-CE1 4.34Å; L631-F702 HydrophobicContact CD2-CZ 4.06Å; L631-F702 HydrophobicContact CG-CZ 4.4Å; I635-F702 HydrophobicContact CD1-CD1 3.81Å; I635-F702 HydrophobicContact CD1-CD2 3.86Å; I635-F702 HydrophobicContact CD1-CE1 3.75Å; I635-F702 HydrophobicContact CD1-CE2 3.81Å; I635-F702 HydrophobicContact CD1-CG 3.87Å; I635-F702 HydrophobicContact CD1-CZ 3.78Å; I635-F702 HydrophobicContact CG1-CD2 4.43Å; I635-F702 HydrophobicContact CG1-CE2 4.44Å; D700-F702 HydrophobicContact CB-CD2 4.22Å; D700-F702 HydrophobicContact CB-CE2 3.41Å; D700-F702 VanDerWaalsContact CB-CE2 3.41Å; D700-F702 HydrophobicContact CB-CZ 3.79Å; F702-R710 HydrophobicContact CD1-CG 4.33Å; F702-R710 HydrophobicContact CE1-CG 3.7Å; F702-R710 HydrophobicContact CZ-CG 4.22Å; F702-A743 CarbonylContact O-C 3.54Å; F702-A743 WeakPolarHBondContact O-CA 3.35Å; F702-C744 PolarHBondContact N-O 2.94Å; F702-C744 PolarHBondContact O-N 3.42Å; F702-R746 HydrophobicContact CD2-CB 4.42Å; F702-R746 HydrophobicContact CE2-CB 3.97Å
703G95.4Very high91.3Very high0 Ų035.2 Ų35.20%017%0.169CC..SBendtrans171.1-139.3-176.900000109.7Q612 N616 T708Q612-G703 WeakPolarHBondContact CG-O 3.04Å; N616-G703 PolarHBondContact ND2-O 3.15Å; N616-G703 PolarHBondContact OD1-O 3.02Å; G703-T708 PolarHBondContact N-OG1 2.82Å; G703-T708 VanDerWaalsContact N-OG1 3.12Å; G703-T708 PolarHBondContact O-OG1 2.67Å
704L94.8Very high91.1Very high0 Ų038.6 Ų38.60%018%0.181CC..SBendtrans-58160.8165.6-62-177.4000111.4N616 F662 P664 V706 D707 T708 V738 L739 L742N616-L704 HydrophobicContact CB-CD2 4.18Å; F662-L704 HydrophobicContact CE1-CD2 4.3Å; F662-L704 HydrophobicContact CE2-CD1 4.48Å; F662-L704 HydrophobicContact CZ-CD1 3.92Å; F662-L704 HydrophobicContact CZ-CD2 3.88Å; P664-L704 HydrophobicContact CB-CD2 4.46Å; L704-V706 VanDerWaalsContact C-N 3.25Å; L704-V706 HydrophobicContact CB-CG1 3.91Å; L704-V706 HydrophobicContact CD1-CG1 4.44Å; L704-V706 PolarHBondContact O-N 3.34Å; L704-D707 HydrophobicContact CB-CB 4.49Å; L704-D707 PolarHBondContact O-N 2.84Å; L704-D707 VanDerWaalsContact O-N 3.11Å; L704-T708 WeakPolarHBondContact O-CB 3.44Å; L704-T708 PolarHBondContact O-N 3.19Å; L704-T708 PolarHBondContact O-OG1 3.15Å; L704-V738 HydrophobicContact CD1-CB 4.41Å; L704-V738 HydrophobicContact CD1-CG1 4.14Å; L704-L739 HydrophobicContact CD1-CB 3.57Å; L704-L739 HydrophobicContact CD1-CD2 3.92Å; L704-L739 HydrophobicContact CD1-CG 4.43Å; L704-L739 HydrophobicContact CD2-CD2 3.97Å; L704-L739 HydrophobicContact CG-CB 3.92Å; L704-L739 HydrophobicContact CG-CD2 3.93Å; L704-L742 HydrophobicContact CD2-CD2 4.15Å
705P94.4Very high91Very high55 Ų5538.8 Ų38.836%0.35718%0.182SC..THydrogen-bonded Turntrans-57.8-38.2177-23.535.8000112.5P664 F665 D707P664-P705 WeakPolarHBondContact O-CD 3.24Å; F665-P705 HydrophobicContact CD1-CB 4.36Å; F665-P705 HydrophobicContact CD1-CG 3.82Å; F665-P705 HydrophobicContact CE1-CG 3.88Å; P705-D707 PolarHBondContact O-N 2.82Å
706V93.3Very high90.8Very high31 Ų3145.3 Ų45.319%0.18821%0.211CC..THydrogen-bonded Turntrans-63.3-36.9175.461.70000113T666 L704 R709 V738T666-V706 WeakPolarHBondContact O-CG1 3.33Å; L704-V706 VanDerWaalsContact C-N 3.25Å; L704-V706 HydrophobicContact CB-CG1 3.91Å; L704-V706 HydrophobicContact CD1-CG1 4.44Å; L704-V706 PolarHBondContact O-N 3.34Å; V706-R709 VanDerWaalsContact O-CZ 3.24Å; V706-R709 PolarHBondContact O-NH1 3.4Å; V706-R709 PolarHBondContact O-NH2 3.38Å; V706-V738 HydrophobicContact CG1-CB 3.95Å; V706-V738 HydrophobicContact CG1-CG2 3.67Å; V706-V738 HydrophobicContact CG2-CG2 4.12Å
707D94.1Very high90.7Very high4 Ų447.1 Ų47.12%0.02122%0.224CC..THydrogen-bonded Turntrans-84.9-28.4-177.9-65.6-21.4000112.3L704 P705 R709 V737 V738 L739L704-D707 HydrophobicContact CB-CB 4.49Å; L704-D707 PolarHBondContact O-N 2.84Å; L704-D707 VanDerWaalsContact O-N 3.11Å; P705-D707 PolarHBondContact O-N 2.82Å; D707-R709 PolarHBondContact O-N 3.43Å; D707-V737 HydrophobicContact CB-CG1 4.35Å; D707-V737 WeakPolarHBondContact OD1-CA 3.5Å; D707-V738 PolarHBondContact OD1-N 3.18Å; D707-V738 PolarHBondContact OD2-N 2.75Å; D707-L739 PolarHBondContact OD2-N 3.02Å
708T94.4Very high90.6Very high38 Ų3847.8 Ų47.823%0.23323%0.229CC..  trans-66.5123.5-174.5-65.70000111M701 G703 L704 R710M701-T708 CarbonylContact O-C 3.47Å; M701-T708 WeakPolarHBondContact O-CA 3.19Å; G703-T708 PolarHBondContact N-OG1 2.82Å; G703-T708 VanDerWaalsContact N-OG1 3.12Å; G703-T708 PolarHBondContact O-OG1 2.67Å; L704-T708 WeakPolarHBondContact O-CB 3.44Å; L704-T708 PolarHBondContact O-N 3.19Å; L704-T708 PolarHBondContact O-OG1 3.15Å; T708-R710 HydrophobicContact CG2-CG 4.02Å
709R89.6Confident90.2Very high123 Ų12356 Ų5646%0.46427%0.267SS..EExtended strand (participates in β ladder)trans-136.997.8177.1-65.6-68179.7-75.9-10.8108D700 M701 V706 D707 A712 F734D700-R709 WeakPolarHBondContact CA-O 3.47Å; M701-R709 PolarHBondContact N-O 2.91Å; M701-R709 PolarHBondContact O-N 2.95Å; V706-R709 VanDerWaalsContact O-CZ 3.24Å; V706-R709 PolarHBondContact O-NH1 3.4Å; V706-R709 PolarHBondContact O-NH2 3.38Å; D707-R709 PolarHBondContact O-N 3.43Å; R709-A712 HydrophobicContact CB-CB 3.71Å; R709-F734 HydrophobicContact CB-CE1 4.11Å; R709-F734 HydrophobicContact CG-CD1 4.49Å
710R83.7Confident89.7Confident152 Ų15257.2 Ų57.257%0.57428%0.279SS*.EExtended strand (participates in β ladder)trans-92.8137.7179.1-63.8-178.765.5-160.70.1110.3D700 F702 T708 A712D700-R710 WeakPolarHBondContact OD1-CA 3.3Å; F702-R710 HydrophobicContact CD1-CG 4.33Å; F702-R710 HydrophobicContact CE1-CG 3.7Å; F702-R710 HydrophobicContact CZ-CG 4.22Å; T708-R710 HydrophobicContact CG2-CG 4.02Å; R710-A712 PolarHBondContact O-N 2.92Å
711K72.2Confident89.4Confident162 Ų16259.2 Ų59.270%0.70429%0.29SS*.EExtended strand (participates in β ladder)trans50.336.7-169.3-58.4-174.9175-173.90111.8D700 F713D700-K711 PolarHBondContact OD1-N 3.46Å; K711-F713 PolarHBondContact O-N 3.22Å
712A64.6Low89.3Confident49 Ų4959.2 Ų59.241%0.40529%0.29SS..EExtended strand (participates in β ladder)trans-60.4-36.9-174.800000111.6V699 R709 R710 F734V699-A712 PolarHBondContact O-N 3.32Å; R709-A712 HydrophobicContact CB-CB 3.71Å; R710-A712 PolarHBondContact O-N 2.92Å; A712-F734 HydrophobicContact CB-CE1 4.26Å
713F82.6Confident89.3Confident50 Ų5059.5 Ų59.522%0.21929%0.292CS..EExtended strand (participates in β ladder)trans-147.3150.8175.2-175.8-96.5000111.2E698 V699 K711 T715 E729 I732E698-F713 WeakPolarHBondContact CA-O 3.43Å; V699-F713 PolarHBondContact N-O 2.93Å; V699-F713 PolarHBondContact O-N 3.46Å; K711-F713 PolarHBondContact O-N 3.22Å; F713-T715 HydrophobicContact CE1-CG2 3.77Å; F713-E729 HydrophobicContact CE1-CB 4.46Å; F713-E729 HydrophobicContact CE1-CG 4.46Å; F713-E729 HydrophobicContact CZ-CB 3.87Å; F713-E729 HydrophobicContact CZ-CG 3.97Å; F713-I732 HydrophobicContact CB-CD1 3.69Å; F713-I732 HydrophobicContact CB-CG1 3.77Å; F713-I732 HydrophobicContact CB-CG2 3.99Å; F713-I732 HydrophobicContact CD1-CD1 3.38Å; F713-I732 HydrophobicContact CD1-CG1 3.75Å; F713-I732 HydrophobicContact CD2-CG1 4Å; F713-I732 HydrophobicContact CE1-CD1 4.12Å; F713-I732 HydrophobicContact CE1-CG1 4.32Å; F713-I732 HydrophobicContact CG-CD1 3.61Å; F713-I732 HydrophobicContact CG-CG1 3.56Å
714K91.1Very high89.3Confident98 Ų9860.4 Ų60.443%0.42630%0.297SS..EExtended strand (participates in β ladder)trans-140.8125.9170.9169.4167.6176.3158.40108.3Y696 V697 E698Y696-K714 HydrophobicContact CD2-CD 3.89Å; Y696-K714 HydrophobicContact CD2-CG 3.89Å; Y696-K714 HydrophobicContact CE2-CD 3.92Å; Y696-K714 VanDerWaalsContact CE2-CE 3.4Å; Y696-K714 HydrophobicContact CE2-CG 4.39Å; Y696-K714 HydrophobicContact CG-CG 4.46Å; Y696-K714 PolarHBondContact OH-NZ 3.37Å; V697-K714 WeakPolarHBondContact O-CA 3.08Å; E698-K714 HydrophobicContact CG-CB 4.23Å; E698-K714 HydrophobicContact CG-CD 4.3Å; E698-K714 HydrophobicContact CG-CG 4.26Å; E698-K714 IonicContact OE1-NZ 3.06Å
715T92.6Very high89.3Confident4 Ų460.6 Ų60.63%0.02530%0.298CS..PPolyproline II helixtrans-62.9159.8174.366.40000110.7I682 Y696 V697 F713 W727 E729I682-T715 HydrophobicContact CB-CG2 4.19Å; I682-T715 HydrophobicContact CG1-CG2 4.38Å; I682-T715 HydrophobicContact CG2-CG2 4.08Å; Y696-T715 WeakPolarHBondContact CA-OG1 3.36Å; V697-T715 HydrophobicContact CB-CG2 3.89Å; V697-T715 HydrophobicContact CG2-CG2 4.36Å; V697-T715 PolarHBondContact N-OG1 3.24Å; V697-T715 PolarHBondContact O-N 2.92Å; F713-T715 HydrophobicContact CE1-CG2 3.77Å; T715-W727 HydrophobicContact CG2-CB 4.18Å; T715-W727 HydrophobicContact CG2-CD2 4.39Å; T715-W727 HydrophobicContact CG2-CG 4.05Å; T715-E729 HydrophobicContact CG2-CG 4.34Å
716K92.9Very high89.3Confident138 Ų13860.6 Ų60.660%0.630%0.297SS*.PPolyproline II helixtrans-54.5146.4158.7-66.4169.2-158.991.60110.1W727 E729K716-W727 PolarHBondContact O-NE1 3.45Å; K716-E729 WeakPolarHBondContact CB-OE1 3.2Å; K716-E729 WeakPolarHBondContact CD-OE1 3.26Å; K716-E729 WeakPolarHBondContact CG-OE1 3.33Å; K716-E729 PolarHBondContact N-OE1 3.18Å; K716-E729 IonicContact NZ-OE1 3.57Å; K716-E729 PolarHBondContact NZ-OE1 3.11Å; K716-E729 IonicContact NZ-OE2 3.9Å; K716-E729 PolarHBondContact NZ-OE2 3.49Å
717T94.9Very high89.3Confident56 Ų5659.5 Ų59.534%0.34429%0.289SS..PPolyproline II helixtrans-69.5133171.4-48.30000109.5T695 Y696 E752T695-T717 CarbonylContact O-C 3.43Å; T695-T717 WeakPolarHBondContact O-CA 3.31Å; Y696-T717 HydrophobicContact CD1-CG2 4.5Å; T717-E752 HydrophobicContact CG2-CB 4.06Å; T717-E752 HydrophobicContact CG2-CG 4.25Å
718S93.4Very high88.5Confident14 Ų1466.8 Ų66.810%0.09832%0.323CS..PPolyproline II helixtrans-64.9146.6174.268.30000111.4G694 T695 G720 N721G694-S718 WeakPolarHBondContact CA-O 3.44Å; T695-S718 PolarHBondContact N-OG 2.86Å; T695-S718 PolarHBondContact O-N 3.32Å; T695-S718 PolarHBondContact O-OG 2.94Å; T695-S718 PolarHBondContact OG1-OG 3.12Å; T695-S718 VanDerWaalsContact OG1-OG 3.12Å; S718-G720 VanDerWaalsContact C-N 3.31Å; S718-G720 PolarHBondContact O-N 2.81Å; S718-N721 WeakPolarHBondContact CB-O 3.23Å; S718-N721 PolarHBondContact OG-O 2.96Å
719Q88.3Confident88Confident195 Ų19566.2 Ų66.291%0.91132%0.318SS*.SBendtrans-77.876.1-177.1-64.8-177.50.700111.5N721Q719-N721 PolarHBondContact O-N 3.32Å; Q719-N721 VanDerWaalsContact O-N 3.13Å
720G84.3Confident88Confident24 Ų2467.6 Ų67.625%0.24733%0.33CS..SBendtrans65.613.9178.200000115.2K692 V693 S718K692-G720 WeakPolarHBondContact CG-O 3.43Å; V693-G720 CarbonylContact O-C 3.56Å; S718-G720 VanDerWaalsContact C-N 3.31Å; S718-G720 PolarHBondContact O-N 2.81Å
721N89.4Confident88.4Confident47 Ų4762.7 Ų62.725%0.25132%0.317SS..  trans-108.2109.8179.8-177.36.6000110.5S718 Q719 V723 N724 P725S718-N721 WeakPolarHBondContact CB-O 3.23Å; S718-N721 PolarHBondContact OG-O 2.96Å; Q719-N721 PolarHBondContact O-N 3.32Å; Q719-N721 VanDerWaalsContact O-N 3.13Å; N721-V723 PolarHBondContact OD1-N 2.94Å; N721-N724 PolarHBondContact ND2-O 2.73Å; N721-N724 PolarHBondContact ND2-OD1 3.35Å; N721-N724 PolarHBondContact OD1-N 3.4Å; N721-P725 WeakPolarHBondContact O-CB 3.13Å
722A93.6Very high89.4Confident1 Ų155.9 Ų55.91%0.00829%0.288CS..  trans-106.2-0.4170.100000113F687 L688 V693 T695F687-A722 PolarHBondContact N-O 3.44Å; L688-A722 PolarHBondContact N-O 3.29Å; V693-A722 HydrophobicContact CG1-CB 4.45Å; T695-A722 HydrophobicContact CG2-CB 3.92Å
723V95.1Very high90.7Very high9 Ų957.8 Ų57.86%0.05530%0.295CS..SBendtrans-85.9-50.2-177177.60000111.4A180 D181 Q686 F687 N721A180-V723 HydrophobicContact CB-CG2 3.76Å; D181-V723 HydrophobicContact CB-CG2 4.27Å; Q686-V723 WeakPolarHBondContact CA-O 3.47Å; F687-V723 HydrophobicContact CD1-CG1 4.15Å; F687-V723 HydrophobicContact CE1-CG1 4.02Å; F687-V723 PolarHBondContact N-O 2.89Å; N721-V723 PolarHBondContact OD1-N 2.94Å
724N95.1Very high91.3Very high19 Ų1956.2 Ų56.210%0.10229%0.288CS..SBendtrans-145.652.2178.378-35.3000113.2R184 P221 G685 N721 V726R184-N724 PolarHBondContact NH1-OD1 3.1Å; R184-N724 PolarHBondContact NH2-ND2 3.16Å; R184-N724 PolarHBondContact NH2-OD1 2.72Å; R184-N724 VanDerWaalsContact NH2-OD1 3.13Å; P221-N724 PolarHBondContact O-ND2 3.3Å; G685-N724 WeakPolarHBondContact O-CA 3.47Å; N721-N724 PolarHBondContact ND2-O 2.73Å; N721-N724 PolarHBondContact ND2-OD1 3.35Å; N721-N724 PolarHBondContact OD1-N 3.4Å; N724-V726 PolarHBondContact O-N 3.5Å
725P95.5Very high91.3Very high3 Ų356.3 Ų56.32%0.01929%0.289CS..  trans-60.4135.7175.626-34.5000111.7S684 G685 L688 N721 W727S684-P725 CarbonylContact C-O 3.57Å; S684-P725 WeakPolarHBondContact CA-O 3.4Å; S684-P725 WeakPolarHBondContact CB-O 3.36Å; G685-P725 PolarHBondContact N-O 2.86Å; G685-P725 WeakPolarHBondContact O-CD 3.31Å; L688-P725 HydrophobicContact CD1-CG 3.61Å; N721-P725 WeakPolarHBondContact O-CB 3.13Å; P725-W727 HydrophobicContact CB-CH2 4.16Å; P725-W727 HydrophobicContact CB-CZ2 3.87Å; P725-W727 HydrophobicContact CG-CH2 3.72Å; P725-W727 HydrophobicContact CG-CZ2 3.85Å; P725-W727 HydrophobicContact CG-CZ3 4.28Å
726V95.4Very high91.3Very high55 Ų5559.2 Ų59.233%0.33330%0.301SS..BIsolated β-bridgetrans-112.2134.9169.7-174.20000107.5I683 N724 E728I683-V726 WeakPolarHBondContact O-CG1 3.45Å; N724-V726 PolarHBondContact O-N 3.5Å; V726-E728 HydrophobicContact CG1-CG 3.97Å
727W92.1Very high91.4Very high8 Ų852.6 Ų52.63%0.0327%0.272CS..  trans-122.390.6179.2-60.9-77.4000108.2I682 I683 S684 L688 T695 V697 T715 K716 P725 E729I682-W727 HydrophobicContact CG2-CD2 4.42Å; I682-W727 HydrophobicContact CG2-CE3 3.71Å; I682-W727 HydrophobicContact CG2-CZ3 4.22Å; I683-W727 PolarHBondContact O-N 3.06Å; S684-W727 VanDerWaalsContact C-CZ3 3.48Å; L688-W727 HydrophobicContact CD1-CH2 3.67Å; L688-W727 HydrophobicContact CD1-CZ2 4.39Å; T695-W727 PolarHBondContact O-NE1 3.12Å; V697-W727 HydrophobicContact CG2-CE3 4.16Å; V697-W727 HydrophobicContact CG2-CH2 3.59Å; V697-W727 HydrophobicContact CG2-CZ2 4.05Å; V697-W727 HydrophobicContact CG2-CZ3 3.65Å; T715-W727 HydrophobicContact CG2-CB 4.18Å; T715-W727 HydrophobicContact CG2-CD2 4.39Å; T715-W727 HydrophobicContact CG2-CG 4.05Å; K716-W727 PolarHBondContact O-NE1 3.45Å; P725-W727 HydrophobicContact CB-CH2 4.16Å; P725-W727 HydrophobicContact CB-CZ2 3.87Å; P725-W727 HydrophobicContact CG-CH2 3.72Å; P725-W727 HydrophobicContact CG-CZ2 3.85Å; P725-W727 HydrophobicContact CG-CZ3 4.28Å; W727-E729 HydrophobicContact CB-CG 4.11Å; W727-E729 PolarHBondContact O-N 3.43Å
728E78Confident91.4Very high158 Ų15850 Ų5074%0.73826%0.256SS*.  trans-77.163.9176.6-60.4-173.4154.600110.6V726V726-E728 HydrophobicContact CG1-CG 3.97Å
729E83.3Confident91.4Very high25 Ų2549.4 Ų49.412%0.11725%0.252CS..PPolyproline II helixtrans-94.6160.4179.2-58.9-72.1-173.900111.5K681 F713 T715 K716 W727K681-E729 WeakPolarHBondContact CE-O 3.44Å; F713-E729 HydrophobicContact CE1-CB 4.46Å; F713-E729 HydrophobicContact CE1-CG 4.46Å; F713-E729 HydrophobicContact CZ-CB 3.87Å; F713-E729 HydrophobicContact CZ-CG 3.97Å; T715-E729 HydrophobicContact CG2-CG 4.34Å; K716-E729 WeakPolarHBondContact CB-OE1 3.2Å; K716-E729 WeakPolarHBondContact CD-OE1 3.26Å; K716-E729 WeakPolarHBondContact CG-OE1 3.33Å; K716-E729 PolarHBondContact N-OE1 3.18Å; K716-E729 IonicContact NZ-OE1 3.57Å; K716-E729 PolarHBondContact NZ-OE1 3.11Å; K716-E729 IonicContact NZ-OE2 3.9Å; K716-E729 PolarHBondContact NZ-OE2 3.49Å; W727-E729 HydrophobicContact CB-CG 4.11Å; W727-E729 PolarHBondContact O-N 3.43Å
730E89.7Confident91.7Very high153 Ų15340.3 Ų40.372%0.71521%0.21SC*.PPolyproline II helixtrans-69.8150.4174-71.9-59.9155.700112.4I732E730-I732 PolarHBondContact O-N 2.87Å
731P92.4Very high92.1Very high49 Ų4941.9 Ų41.932%0.31822%0.215SC..PPolyproline II helixtrans-62134.5176.7-18.630.3000113S679 K681 V733S679-P731 VanDerWaalsContact OG-CB 3.26Å; S679-P731 WeakPolarHBondContact OG-CB 3.45Å; K681-P731 HydrophobicContact CB-CB 4.24Å; K681-P731 HydrophobicContact CB-CG 4.27Å; K681-P731 HydrophobicContact CD-CG 4.29Å; P731-V733 PolarHBondContact O-N 2.65Å
732I91.9Very high92.3Very high18 Ų1840.4 Ų40.49%0.09221%0.206CC..EExtended strand (participates in β ladder)trans-83106.3178.4-50.4156.4000108S679 V680 I682 V699 F713 E730 F734S679-I732 VanDerWaalsContact CA-O 3.32Å; S679-I732 WeakPolarHBondContact CA-O 3.37Å; V680-I732 PolarHBondContact N-O 2.86Å; V680-I732 WeakPolarHBondContact O-CB 3.49Å; V680-I732 WeakPolarHBondContact O-CD1 3.49Å; V680-I732 WeakPolarHBondContact O-CG1 3.43Å; V680-I732 PolarHBondContact O-N 3.24Å; I682-I732 HydrophobicContact CG1-CD1 4.48Å; V699-I732 HydrophobicContact CB-CD1 3.82Å; V699-I732 HydrophobicContact CG1-CD1 4.18Å; V699-I732 HydrophobicContact CG2-CD1 3.58Å; F713-I732 HydrophobicContact CB-CD1 3.69Å; F713-I732 HydrophobicContact CB-CG1 3.77Å; F713-I732 HydrophobicContact CB-CG2 3.99Å; F713-I732 HydrophobicContact CD1-CD1 3.38Å; F713-I732 HydrophobicContact CD1-CG1 3.75Å; F713-I732 HydrophobicContact CD2-CG1 4Å; F713-I732 HydrophobicContact CE1-CD1 4.12Å; F713-I732 HydrophobicContact CE1-CG1 4.32Å; F713-I732 HydrophobicContact CG-CD1 3.61Å; F713-I732 HydrophobicContact CG-CG1 3.56Å; E730-I732 PolarHBondContact O-N 2.87Å; I732-F734 HydrophobicContact CB-CE2 4.47Å; I732-F734 HydrophobicContact CG2-CE2 3.82Å; I732-F734 HydrophobicContact CG2-CZ 3.94Å
733V93.3Very high92.4Very high90 Ų9040.4 Ų40.455%0.54521%0.207SC..EExtended strand (participates in β ladder)trans-99.2104.8-173.2-175.70000112.2T677 P731 K735T677-V733 HydrophobicContact CG2-CG1 4.47Å; P731-V733 PolarHBondContact O-N 2.65Å; V733-K735 VanDerWaalsContact C-N 3.31Å; V733-K735 HydrophobicContact CG1-CB 4.24Å; V733-K735 PolarHBondContact O-N 3.31Å; V733-K735 VanDerWaalsContact O-N 3.11Å
734F94.3Very high92.5Very high17 Ų1740.6 Ų40.68%0.07521%0.208CC..EExtended strand (participates in β ladder)trans-80.579.9163.5-53.1-90.7000108.1L678 V680 V699 M701 R709 A712 I732 K736 V737 L745L678-F734 HydrophobicContact CB-CB 4.26Å; L678-F734 HydrophobicContact CB-CD2 4.35Å; L678-F734 HydrophobicContact CD2-CD2 4.14Å; L678-F734 HydrophobicContact CG-CD2 4.23Å; L678-F734 PolarHBondContact N-O 3.01Å; L678-F734 VanDerWaalsContact N-O 3.12Å; L678-F734 WeakPolarHBondContact O-CA 3.28Å; L678-F734 WeakPolarHBondContact O-CB 3.12Å; L678-F734 PolarHBondContact O-N 3.44Å; V680-F734 HydrophobicContact CG2-CE2 4.43Å; V699-F734 HydrophobicContact CG1-CE2 4.43Å; V699-F734 HydrophobicContact CG1-CZ 4.19Å; M701-F734 HydrophobicContact CB-CD1 4Å; M701-F734 HydrophobicContact CB-CE1 3.61Å; M701-F734 HydrophobicContact CB-CZ 4.24Å; M701-F734 HydrophobicContact CE-CB 3.86Å; M701-F734 HydrophobicContact CE-CD1 3.66Å; M701-F734 HydrophobicContact CE-CD2 3.88Å; M701-F734 HydrophobicContact CE-CE1 4.16Å; M701-F734 HydrophobicContact CE-CE2 4.35Å; M701-F734 HydrophobicContact CE-CG 3.52Å; M701-F734 HydrophobicContact CE-CZ 4.48Å; M701-F734 HydrophobicContact SD-CB 4.45Å; M701-F734 HydrophobicContact SD-CD1 3.91Å; M701-F734 HydrophobicContact SD-CE1 4.48Å; M701-F734 HydrophobicContact SD-CG 4.26Å; R709-F734 HydrophobicContact CB-CE1 4.11Å; R709-F734 HydrophobicContact CG-CD1 4.49Å; A712-F734 HydrophobicContact CB-CE1 4.26Å; I732-F734 HydrophobicContact CB-CE2 4.47Å; I732-F734 HydrophobicContact CG2-CE2 3.82Å; I732-F734 HydrophobicContact CG2-CZ 3.94Å; F734-K736 PolarHBondContact O-N 3.18Å; F734-K736 VanDerWaalsContact O-N 3.15Å; F734-V737 HydrophobicContact CB-CG2 4.1Å; F734-L745 HydrophobicContact CE2-CD1 3.91Å; F734-L745 HydrophobicContact CZ-CD1 4.1Å
735K91.5Very high92.6Very high100 Ų10039.8 Ų39.844%0.43520%0.204SC..EExtended strand (participates in β ladder)trans-53.9-38.8-168.7-177170.6-177173.70113.3T677 V733 Y798 D801T677-K735 WeakPolarHBondContact CB-O 3.45Å; T677-K735 PolarHBondContact OG1-O 3.01Å; V733-K735 VanDerWaalsContact C-N 3.31Å; V733-K735 HydrophobicContact CG1-CB 4.24Å; V733-K735 PolarHBondContact O-N 3.31Å; V733-K735 VanDerWaalsContact O-N 3.11Å; K735-Y798 HydrophobicContact CG-CE2 4.43Å; K735-Y798 VanDerWaalsContact O-CD2 3.28Å; K735-Y798 WeakPolarHBondContact O-CD2 3.46Å; K735-D801 WeakPolarHBondContact CE-OD1 3.4Å; K735-D801 IonicContact NZ-OD1 3.07Å; K735-D801 PolarHBondContact NZ-OD1 2.81Å; K735-D801 IonicContact NZ-OD2 2.81Å; K735-D801 PolarHBondContact NZ-OD2 2.78Å
736K93.4Very high92.6Very high64 Ų6439.9 Ų39.928%0.27820%0.204SC..EExtended strand (participates in β ladder)trans-138.6115.3-178.4173.1-176.9160.5-173.20108.7E667 G668 I669 F734 V738 Y798E667-K736 PolarHBondContact O-NZ 3.11Å; G668-K736 VanDerWaalsContact O-CE 3.24Å; G668-K736 WeakPolarHBondContact O-CE 3.37Å; G668-K736 PolarHBondContact O-NZ 2.82Å; I669-K736 HydrophobicContact CG2-CD 4.4Å; F734-K736 PolarHBondContact O-N 3.18Å; F734-K736 VanDerWaalsContact O-N 3.15Å; K736-V738 HydrophobicContact CD-CG2 4.45Å; K736-V738 HydrophobicContact CG-CG2 4.3Å; K736-Y798 HydrophobicContact CB-CD2 4.13Å; K736-Y798 HydrophobicContact CB-CE1 4.44Å; K736-Y798 HydrophobicContact CB-CE2 4.04Å; K736-Y798 HydrophobicContact CB-CG 4.39Å; K736-Y798 HydrophobicContact CD-CD1 4.45Å; K736-Y798 HydrophobicContact CD-CE1 3.91Å; K736-Y798 HydrophobicContact CG-CD1 4.11Å; K736-Y798 HydrophobicContact CG-CE1 4.04Å; K736-Y798 HydrophobicContact CG-CG 4.37Å
737V95.3Very high92.7Very high0 Ų037.3 Ų37.30%019%0.188CC..EExtended strand (participates in β ladder)trans-107.8105.3167.1-175.20000106.1A675 N676 M701 D707 F734 L739 P740 A743A675-V737 CarbonylContact C-O 3.57Å; A675-V737 VanDerWaalsContact CA-O 3.25Å; A675-V737 WeakPolarHBondContact CA-O 3.26Å; A675-V737 VanDerWaalsContact CB-O 3.26Å; A675-V737 WeakPolarHBondContact CB-O 3.26Å; N676-V737 PolarHBondContact N-O 3.05Å; N676-V737 WeakPolarHBondContact O-CB 3.32Å; N676-V737 PolarHBondContact O-N 3.21Å; M701-V737 HydrophobicContact CE-CG2 3.81Å; M701-V737 HydrophobicContact SD-CG1 4.18Å; M701-V737 HydrophobicContact SD-CG2 3.72Å; D707-V737 HydrophobicContact CB-CG1 4.35Å; D707-V737 WeakPolarHBondContact OD1-CA 3.5Å; F734-V737 HydrophobicContact CB-CG2 4.1Å; V737-L739 VanDerWaalsContact C-N 3.33Å; V737-L739 PolarHBondContact O-N 2.67Å; V737-P740 HydrophobicContact CB-CG 4.49Å; V737-P740 HydrophobicContact CG1-CG 4.28Å; V737-A743 HydrophobicContact CG1-CB 3.79Å
738V94.3Very high93Very high1 Ų137 Ų371%0.00619%0.187CC..SBendtrans-61.7-40.8-176.8176.70000111.2T666 G668 V670 I673 L704 V706 D707 K736T666-V738 HydrophobicContact CG2-CG1 4.41Å; G668-V738 WeakPolarHBondContact O-CG2 3.38Å; V670-V738 HydrophobicContact CG2-CG1 4.34Å; I673-V738 WeakPolarHBondContact CG2-O 3.41Å; L704-V738 HydrophobicContact CD1-CB 4.41Å; L704-V738 HydrophobicContact CD1-CG1 4.14Å; V706-V738 HydrophobicContact CG1-CB 3.95Å; V706-V738 HydrophobicContact CG1-CG2 3.67Å; V706-V738 HydrophobicContact CG2-CG2 4.12Å; D707-V738 PolarHBondContact OD1-N 3.18Å; D707-V738 PolarHBondContact OD2-N 2.75Å; K736-V738 HydrophobicContact CD-CG2 4.45Å; K736-V738 HydrophobicContact CG-CG2 4.3Å
739L94.2Very high93.9Very high1 Ų129.4 Ų29.41%0.00515%0.152CC..  trans-128.981.4-177.9-177.251.5000113.3F654 F662 I673 L704 D707 V737 T741 L742 A743F654-L739 HydrophobicContact CE1-CD1 3.63Å; F654-L739 HydrophobicContact CE2-CD2 4.02Å; F654-L739 HydrophobicContact CZ-CD1 3.33Å; F654-L739 HydrophobicContact CZ-CD2 3.5Å; F654-L739 HydrophobicContact CZ-CG 4.03Å; F662-L739 HydrophobicContact CZ-CD2 4.17Å; I673-L739 HydrophobicContact CD1-CD1 4.39Å; I673-L739 HydrophobicContact CG2-CD1 4.18Å; L704-L739 HydrophobicContact CD1-CB 3.57Å; L704-L739 HydrophobicContact CD1-CD2 3.92Å; L704-L739 HydrophobicContact CD1-CG 4.43Å; L704-L739 HydrophobicContact CD2-CD2 3.97Å; L704-L739 HydrophobicContact CG-CB 3.92Å; L704-L739 HydrophobicContact CG-CD2 3.93Å; D707-L739 PolarHBondContact OD2-N 3.02Å; V737-L739 VanDerWaalsContact C-N 3.33Å; V737-L739 PolarHBondContact O-N 2.67Å; L739-T741 VanDerWaalsContact CD1-OG1 3.3Å; L739-T741 WeakPolarHBondContact CD1-OG1 3.39Å; L739-T741 PolarHBondContact O-N 3.21Å; L739-T741 VanDerWaalsContact O-N 3.16Å; L739-L742 HydrophobicContact CD2-CB 3.5Å; L739-L742 HydrophobicContact CD2-CD2 3.73Å; L739-L742 HydrophobicContact CD2-CG 4.27Å; L739-L742 HydrophobicContact CG-CB 3.63Å; L739-L742 PolarHBondContact O-N 2.69Å; L739-A743 WeakPolarHBondContact O-CB 3.2Å; L739-A743 PolarHBondContact O-N 3.16Å; L739-A743 VanDerWaalsContact O-N 3.13Å
740P93.8Very high94.5Very high5 Ų530 Ų303%0.03215%0.153CC..THydrogen-bonded Turntrans-63.2-23-177.8-23.735.8000114.7N676 V737 V764N676-P740 HydrophobicContact CB-CB 4.14Å; N676-P740 HydrophobicContact CB-CG 3.57Å; V737-P740 HydrophobicContact CB-CG 4.49Å; V737-P740 HydrophobicContact CG1-CG 4.28Å; P740-V764 HydrophobicContact CB-CB 4.41Å; P740-V764 HydrophobicContact CB-CG1 4.05Å
741T92.2Very high94.8Very high57 Ų5723.2 Ų23.235%0.3512%0.121SC..THydrogen-bonded Turntrans-81.4-15.7-178.970.70000113.6P652 L739 Q765P652-T741 WeakPolarHBondContact CG-OG1 3.03Å; L739-T741 VanDerWaalsContact CD1-OG1 3.3Å; L739-T741 WeakPolarHBondContact CD1-OG1 3.39Å; L739-T741 PolarHBondContact O-N 3.21Å; L739-T741 VanDerWaalsContact O-N 3.16Å; T741-Q765 HydrophobicContact CG2-CG 4.44Å
742L94.3Very high94.9Very high15 Ų1526.4 Ų26.48%0.07913%0.132CC..THydrogen-bonded Turntrans-109.7-10.6174.6-164.163.3000112.1F326 N616 P652 M655 L704 L739F326-L742 HydrophobicContact CE2-CD1 3.61Å; F326-L742 HydrophobicContact CZ-CD1 3.72Å; N616-L742 WeakPolarHBondContact OD1-CD2 3.4Å; P652-L742 HydrophobicContact CG-CB 4.22Å; P652-L742 HydrophobicContact CG-CD1 4.33Å; M655-L742 HydrophobicContact SD-CD2 4.21Å; L704-L742 HydrophobicContact CD2-CD2 4.15Å; L739-L742 HydrophobicContact CD2-CB 3.5Å; L739-L742 HydrophobicContact CD2-CD2 3.73Å; L739-L742 HydrophobicContact CD2-CG 4.27Å; L739-L742 HydrophobicContact CG-CB 3.63Å; L739-L742 PolarHBondContact O-N 2.69Å
743A95.8Very high94.8Very high2 Ų229.6 Ų29.62%0.01717%0.169CC..  trans-85.4142.1179.700000112.9F702 V737 L739 V764F702-A743 CarbonylContact O-C 3.54Å; F702-A743 WeakPolarHBondContact O-CA 3.35Å; V737-A743 HydrophobicContact CG1-CB 3.79Å; L739-A743 WeakPolarHBondContact O-CB 3.2Å; L739-A743 PolarHBondContact O-N 3.16Å; L739-A743 VanDerWaalsContact O-N 3.13Å; A743-V764 HydrophobicContact CB-CB 4.45Å; A743-V764 HydrophobicContact CB-CG2 3.89Å; A743-V764 PolarHBondContact O-N 3.16Å
744C96.4Very high94.8Very high13 Ų1327 Ų279%0.08816%0.161CC..EExtended strand (participates in β ladder)trans-130.5141.1169.2710000112M701 F702 I761 L762M701-C744 WeakPolarHBondContact CA-O 3.41Å; F702-C744 PolarHBondContact N-O 2.94Å; F702-C744 PolarHBondContact O-N 3.42Å; C744-I761 HydrophobicContact CB-CG2 4.11Å; C744-L762 WeakPolarHBondContact CA-O 3.22Å
745L96.9Very high94.8Very high1 Ų131 Ų311%0.00518%0.178CC..EExtended strand (participates in β ladder)trans-87136.5169.6-173.676.2000108.6L678 V680 V699 F734 I747 I761 L762 I767L678-L745 HydrophobicContact CD2-CB 4.47Å; L678-L745 HydrophobicContact CD2-CD1 4Å; L678-L745 HydrophobicContact CD2-CD2 4.41Å; V680-L745 HydrophobicContact CG2-CD1 4.2Å; V680-L745 HydrophobicContact CG2-CD2 3.79Å; V699-L745 HydrophobicContact CG1-CD1 3.66Å; V699-L745 HydrophobicContact CG1-CG 4.43Å; F734-L745 HydrophobicContact CE2-CD1 3.91Å; F734-L745 HydrophobicContact CZ-CD1 4.1Å; L745-I747 HydrophobicContact CD2-CD1 3.95Å; L745-I747 HydrophobicContact CD2-CG1 4.07Å; L745-I747 HydrophobicContact CG-CG1 4.3Å; L745-I761 WeakPolarHBondContact O-CA 3.4Å; L745-L762 PolarHBondContact N-O 2.79Å; L745-L762 PolarHBondContact O-N 2.77Å; L745-I767 HydrophobicContact CB-CD1 3.84Å; L745-I767 HydrophobicContact CD2-CD1 4.02Å
746R97Very high95Very high6 Ų628 Ų282%0.02317%0.165CC..EExtended strand (participates in β ladder)trans-118.5124.7168.4173.8-175.4179.8-90.7-1.8108.8L631 Q634 V699 D700 F702 A748 Y750 R760 I761L631-R746 VanDerWaalsContact CD1-NE 3.28Å; Q634-R746 VanDerWaalsContact OE1-NH2 3.09Å; V699-R746 WeakPolarHBondContact CA-O 3.43Å; D700-R746 HydrophobicContact CB-CB 4.24Å; D700-R746 PolarHBondContact N-O 2.67Å; D700-R746 PolarHBondContact O-N 3.16Å; D700-R746 IonicContact OD2-CZ 2.73Å; D700-R746 IonicContact OD2-NH1 3.48Å; D700-R746 PolarHBondContact OD2-NH1 2.86Å; F702-R746 HydrophobicContact CD2-CB 4.42Å; F702-R746 HydrophobicContact CE2-CB 3.97Å; R746-A748 VanDerWaalsContact CZ-CB 3.49Å; R746-Y750 PolarHBondContact NH2-OH 3.26Å; R746-Y750 VanDerWaalsContact NH2-OH 3.09Å; R746-R760 WeakPolarHBondContact CA-O 3.07Å; R746-I761 HydrophobicContact CB-CG1 4.22Å; R746-I761 HydrophobicContact CG-CG1 4.19Å
747I97.3Very high95.1Very high1 Ų125.9 Ų25.91%0.00516%0.157CC..EExtended strand (participates in β ladder)trans-110.9123.9170.2-62.5178000106.8V680 I682 V697 V699 L745 H759 R760 I774 V791V680-I747 HydrophobicContact CG1-CD1 4.18Å; I682-I747 HydrophobicContact CD1-CD1 4.28Å; I682-I747 HydrophobicContact CD1-CG2 4.36Å; V697-I747 HydrophobicContact CG1-CG2 3.53Å; V699-I747 HydrophobicContact CG1-CG1 4.34Å; V699-I747 HydrophobicContact CG2-CG1 4.32Å; L745-I747 HydrophobicContact CD2-CD1 3.95Å; L745-I747 HydrophobicContact CD2-CG1 4.07Å; L745-I747 HydrophobicContact CG-CG1 4.3Å; I747-H759 CarbonylContact O-C 3.51Å; I747-H759 WeakPolarHBondContact O-CA 3.45Å; I747-H759 WeakPolarHBondContact O-CB 3.3Å; I747-R760 PolarHBondContact N-O 2.97Å; I747-R760 PolarHBondContact O-N 3.29Å; I747-I774 HydrophobicContact CD1-CD1 3.63Å; I747-V791 HydrophobicContact CD1-CG1 4.49Å
748A97.4Very high95.2Very high0 Ų025.9 Ų25.90%016%0.157CC..EExtended strand (participates in β ladder)trans-133.6141-177.100000111.3V697 E698 R746 Y750 F756 H759V697-A748 CarbonylContact C-O 3.56Å; V697-A748 WeakPolarHBondContact CA-O 3.2Å; E698-A748 PolarHBondContact N-O 3.45Å; E698-A748 PolarHBondContact O-N 2.69Å; R746-A748 VanDerWaalsContact CZ-CB 3.49Å; A748-Y750 HydrophobicContact CB-CE2 3.67Å; A748-F756 HydrophobicContact CB-CE2 4.4Å; A748-H759 HydrophobicContact CB-CB 3.87Å
749V97.4Very high95.4Very high0 Ų025.9 Ų25.90%016%0.156CC..EExtended strand (participates in β ladder)trans-117140.3-175.7-166.80000109.9L688 Y696 V697 I757 G758 L776 V789L688-V749 HydrophobicContact CD1-CG1 4.19Å; L688-V749 HydrophobicContact CD2-CG1 4.44Å; Y696-V749 WeakPolarHBondContact O-CA 3.16Å; Y696-V749 WeakPolarHBondContact O-CG1 3.09Å; V697-V749 HydrophobicContact CG1-CG2 4.39Å; V697-V749 HydrophobicContact CG2-CG1 4.43Å; V697-V749 HydrophobicContact CG2-CG2 4.1Å; V749-I757 HydrophobicContact CB-CB 4.37Å; V749-I757 HydrophobicContact CG1-CD1 4.07Å; V749-I757 WeakPolarHBondContact O-CB 3.43Å; V749-I757 PolarHBondContact O-N 2.72Å; V749-G758 PolarHBondContact N-O 3.15Å; V749-G758 PolarHBondContact O-N 3.1Å; V749-L776 HydrophobicContact CB-CD1 3.96Å; V749-L776 HydrophobicContact CG2-CD1 3.51Å; V749-L776 HydrophobicContact CG2-CD2 3.97Å; V749-L776 HydrophobicContact CG2-CG 4.4Å; V749-V789 HydrophobicContact CG2-CG2 3.6Å
750Y96.6Very high95.6Very high36 Ų3626.3 Ų26.314%0.14116%0.158CC..EExtended strand (participates in β ladder)trans-136149.3-175-63.2-94.4000110.7T695 Y696 E698 R746 A748 K755 F756T695-Y750 VanDerWaalsContact CA-O 3.28Å; T695-Y750 WeakPolarHBondContact CA-O 3.48Å; Y696-Y750 HydrophobicContact CD2-CD2 4.35Å; Y696-Y750 AromaticContact CE2-CD2 3.71Å; Y696-Y750 HydrophobicContact CE2-CD2 3.71Å; Y696-Y750 AromaticContact CE2-CG 3.85Å; Y696-Y750 HydrophobicContact CE2-CG 3.85Å; Y696-Y750 AromaticContact CZ-CG 3.94Å; Y696-Y750 PolarHBondContact N-O 3.29Å; Y696-Y750 PolarHBondContact O-N 2.99Å; E698-Y750 HydrophobicContact CB-CE2 4.25Å; E698-Y750 HydrophobicContact CG-CD2 4.2Å; E698-Y750 HydrophobicContact CG-CE2 4.17Å; R746-Y750 PolarHBondContact NH2-OH 3.26Å; R746-Y750 VanDerWaalsContact NH2-OH 3.09Å; A748-Y750 HydrophobicContact CB-CE2 3.67Å; Y750-K755 CarbonylContact C-O 3.5Å; Y750-K755 VanDerWaalsContact CA-O 3.29Å; Y750-K755 WeakPolarHBondContact CA-O 3.41Å; Y750-F756 HydrophobicContact CD1-CB 4.29Å; Y750-F756 HydrophobicContact CD1-CD2 4.31Å; Y750-F756 HydrophobicContact CE1-CB 4.15Å; Y750-F756 AromaticContact CE1-CD2 3.73Å; Y750-F756 HydrophobicContact CE1-CD2 3.73Å; Y750-F756 HydrophobicContact CE1-CG 4.45Å; Y750-F756 AromaticContact CZ-CD2 3.91Å
751E96Very high95.7Very high12 Ų1226.2 Ų26.26%0.05616%0.157CC..EExtended strand (participates in β ladder)trans-74.2156.8165.2-65.2178.3172.700110.5S689 V693 G694 Y696 G753 G754 K755 I757S689-E751 WeakPolarHBondContact CB-OE1 3.46Å; S689-E751 PolarHBondContact OG-OE1 2.9Å; V693-E751 HydrophobicContact CG1-CB 4.27Å; V693-E751 HydrophobicContact CG1-CG 3.83Å; V693-E751 HydrophobicContact CG2-CB 4.23Å; G694-E751 CarbonylContact O-C 3.57Å; G694-E751 WeakPolarHBondContact O-CA 3.49Å; Y696-E751 WeakPolarHBondContact CE1-O 3.39Å; E751-G753 PolarHBondContact O-N 2.8Å; E751-G754 WeakPolarHBondContact O-CA 3.29Å; E751-G754 PolarHBondContact O-N 2.93Å; E751-K755 HydrophobicContact CB-CB 4.31Å; E751-K755 PolarHBondContact N-O 2.96Å; E751-K755 IonicContact OE1-NZ 2.72Å; E751-K755 PolarHBondContact OE1-NZ 3.44Å; E751-K755 WeakPolarHBondContact OE2-CD 3.27Å; E751-K755 WeakPolarHBondContact OE2-CE 3.44Å; E751-K755 IonicContact OE2-NZ 2.76Å; E751-K755 PolarHBondContact OE2-NZ 2.95Å; E751-I757 HydrophobicContact CG-CD1 3.67Å; E751-I757 HydrophobicContact CG-CG1 3.79Å
752E92.6Very high96Very high116 Ų11623.5 Ų23.554%0.54214%0.141SC..THydrogen-bonded Turntrans-51.5132.6162.6-170168.1-161.500110.5V693 G694 T717V693-E752 HydrophobicContact CG2-CB 4.02Å; G694-E752 PolarHBondContact N-OE2 3.5Å; G694-E752 PolarHBondContact O-N 3.44Å; T717-E752 HydrophobicContact CG2-CB 4.06Å; T717-E752 HydrophobicContact CG2-CG 4.25Å
753G90.8Very high96Very high85 Ų8524 Ų2488%0.87614%0.144SC*.THydrogen-bonded Turntrans88.6-6.8-166.300000115E751E751-G753 PolarHBondContact O-N 2.8Å
754G92.4Very high96Very high35 Ų3523.9 Ų23.936%0.36114%0.144SC..SBendtrans88.811.5168.600000116E751 F756E751-G754 WeakPolarHBondContact O-CA 3.29Å; E751-G754 PolarHBondContact O-N 2.93Å; G754-F756 PolarHBondContact O-N 3.43Å
755K95.1Very high95.8Very high101 Ų10127.9 Ų27.944%0.43916%0.161SC..  trans-66131.1170.4164.1170159.9-650109.8Y750 E751Y750-K755 CarbonylContact C-O 3.5Å; Y750-K755 VanDerWaalsContact CA-O 3.29Å; Y750-K755 WeakPolarHBondContact CA-O 3.41Å; E751-K755 HydrophobicContact CB-CB 4.31Å; E751-K755 PolarHBondContact N-O 2.96Å; E751-K755 IonicContact OE1-NZ 2.72Å; E751-K755 PolarHBondContact OE1-NZ 3.44Å; E751-K755 WeakPolarHBondContact OE2-CD 3.27Å; E751-K755 WeakPolarHBondContact OE2-CE 3.44Å; E751-K755 IonicContact OE2-NZ 2.76Å; E751-K755 PolarHBondContact OE2-NZ 2.95Å
756F95.8Very high95.6Very high36 Ų3628.3 Ų28.316%0.15817%0.165CC..EExtended strand (participates in β ladder)trans-65.2144.1176.4-175.5-107.7000111.8A748 Y750 G754 G758 H759 E779A748-F756 HydrophobicContact CB-CE2 4.4Å; Y750-F756 HydrophobicContact CD1-CB 4.29Å; Y750-F756 HydrophobicContact CD1-CD2 4.31Å; Y750-F756 HydrophobicContact CE1-CB 4.15Å; Y750-F756 AromaticContact CE1-CD2 3.73Å; Y750-F756 HydrophobicContact CE1-CD2 3.73Å; Y750-F756 HydrophobicContact CE1-CG 4.45Å; Y750-F756 AromaticContact CZ-CD2 3.91Å; G754-F756 PolarHBondContact O-N 3.43Å; F756-G758 VanDerWaalsContact CZ-C 3.43Å; F756-G758 VanDerWaalsContact CZ-CA 3.43Å; F756-H759 HydrophobicContact CE2-CB 3.98Å; F756-H759 HydrophobicContact CZ-CB 3.85Å; F756-H759 AromaticContact CZ-CG 3.94Å; F756-H759 AromaticContact CZ-ND1 3.79Å; F756-E779 HydrophobicContact CD1-CG 3.85Å; F756-E779 VanDerWaalsContact CD1-OE1 3.27Å; F756-E779 WeakPolarHBondContact CD1-OE1 3.38Å; F756-E779 HydrophobicContact CE1-CG 3.6Å; F756-E779 HydrophobicContact CZ-CG 4.39Å
757I96.3Very high95.5Very high21 Ų2128 Ų2811%0.10816%0.164CC..EExtended strand (participates in β ladder)trans-109.7-51.6170.8-72.1168.6000110.1L688 T695 V749 E751 L776 L784 P787L688-I757 HydrophobicContact CB-CD1 4.21Å; L688-I757 WeakPolarHBondContact O-CG2 3.37Å; T695-I757 HydrophobicContact CG2-CD1 3.76Å; V749-I757 HydrophobicContact CB-CB 4.37Å; V749-I757 HydrophobicContact CG1-CD1 4.07Å; V749-I757 WeakPolarHBondContact O-CB 3.43Å; V749-I757 PolarHBondContact O-N 2.72Å; E751-I757 HydrophobicContact CG-CD1 3.67Å; E751-I757 HydrophobicContact CG-CG1 3.79Å; I757-L776 HydrophobicContact CG2-CD1 4.4Å; I757-L784 WeakPolarHBondContact O-CD1 3.34Å; I757-P787 HydrophobicContact CG2-CB 4.34Å
758G97.2Very high95.4Very high0 Ų031.3 Ų31.30%018%0.176CC..EExtended strand (participates in β ladder)trans171.7168.5-172.500000112.1V749 F756 R777V749-G758 PolarHBondContact N-O 3.15Å; V749-G758 PolarHBondContact O-N 3.1Å; F756-G758 VanDerWaalsContact CZ-C 3.43Å; F756-G758 VanDerWaalsContact CZ-CA 3.43Å; G758-R777 CarbonylContact C-O 3.59Å; G758-R777 WeakPolarHBondContact CA-O 3.45Å
759H97.6Very high95.3Very high0 Ų031.6 Ų31.60%018%0.178CC..EExtended strand (participates in β ladder)trans-148.1172.3-17776.7-44.4000112.9I747 A748 F756 I761 R777 N778I747-H759 CarbonylContact O-C 3.51Å; I747-H759 WeakPolarHBondContact O-CA 3.45Å; I747-H759 WeakPolarHBondContact O-CB 3.3Å; A748-H759 HydrophobicContact CB-CB 3.87Å; F756-H759 HydrophobicContact CE2-CB 3.98Å; F756-H759 HydrophobicContact CZ-CB 3.85Å; F756-H759 AromaticContact CZ-CG 3.94Å; F756-H759 AromaticContact CZ-ND1 3.79Å; H759-I761 VanDerWaalsContact NE2-CD1 3.34Å; H759-I761 WeakPolarHBondContact NE2-CD1 3.48Å; H759-R777 PolarHBondContact N-O 2.99Å; H759-R777 PolarHBondContact ND1-O 3.29Å; H759-R777 VanDerWaalsContact ND1-O 3.11Å; H759-R777 WeakPolarHBondContact O-CA 3.44Å; H759-R777 WeakPolarHBondContact O-CB 3.46Å; H759-R777 PolarHBondContact O-N 3.47Å; H759-N778 PolarHBondContact CE1-O 3.03Å; H759-N778 PolarHBondContact ND1-O 2.81Å
760R97.9Very high95.3Very high11 Ų1131.6 Ų31.64%0.04218%0.178CC..EExtended strand (participates in β ladder)trans-139.6143.5161.5-166.176.3-176.4109.5-3109.2N145 E641 R746 I747 L762 I774 N781N145-R760 PolarHBondContact OD1-NH2 3.21Å; E641-R760 IonicContact OE1-NH2 2.85Å; E641-R760 IonicContact OE2-CZ 3.72Å; E641-R760 VanDerWaalsContact OE2-CZ 3.32Å; E641-R760 IonicContact OE2-NH1 3.62Å; E641-R760 PolarHBondContact OE2-NH1 2.99Å; E641-R760 IonicContact OE2-NH2 2.86Å; E641-R760 PolarHBondContact OE2-NH2 2.69Å; R746-R760 WeakPolarHBondContact CA-O 3.07Å; I747-R760 PolarHBondContact N-O 2.97Å; I747-R760 PolarHBondContact O-N 3.29Å; R760-L762 HydrophobicContact CG-CD1 4.37Å; R760-L762 HydrophobicContact CG-CD2 3.66Å; R760-L762 HydrophobicContact CG-CG 3.87Å; R760-I774 HydrophobicContact CB-CG2 3.46Å; R760-I774 VanDerWaalsContact CB-CG2 3.46Å; R760-I774 HydrophobicContact CG-CG2 3.83Å; R760-N781 PolarHBondContact NH1-OD1 3.04Å; R760-N781 VanDerWaalsContact NH1-OD1 3.16Å
761I97.5Very high95.4Very high2 Ų230.6 Ų30.61%0.0117%0.174CC..EExtended strand (participates in β ladder)trans-115.3130.9172.4-67.3148.6000108.3Q634 Y642 C744 L745 R746 H759Q634-I761 VanDerWaalsContact C-CD1 3.43Å; Q634-I761 HydrophobicContact CB-CD1 4.38Å; Q634-I761 WeakPolarHBondContact O-CD1 3.49Å; Y642-I761 PolarHBondContact OH-O 3.47Å; Y642-I761 VanDerWaalsContact OH-O 3.12Å; C744-I761 HydrophobicContact CB-CG2 4.11Å; L745-I761 WeakPolarHBondContact O-CA 3.4Å; R746-I761 HydrophobicContact CB-CG1 4.22Å; R746-I761 HydrophobicContact CG-CG1 4.19Å; H759-I761 VanDerWaalsContact NE2-CD1 3.34Å; H759-I761 WeakPolarHBondContact NE2-CD1 3.48Å
762L97.1Very high95.5Very high1 Ų130.1 Ų30.11%0.00517%0.172CC..EExtended strand (participates in β ladder)trans-138.1110.8-169.1-60.8174.6000109.3V306 V307 C744 L745 R760 I767 I774V306-L762 HydrophobicContact CG1-CD2 4.36Å; V306-L762 HydrophobicContact CG2-CD1 4.21Å; V307-L762 HydrophobicContact CG2-CD2 3.67Å; C744-L762 WeakPolarHBondContact CA-O 3.22Å; L745-L762 PolarHBondContact N-O 2.79Å; L745-L762 PolarHBondContact O-N 2.77Å; R760-L762 HydrophobicContact CG-CD1 4.37Å; R760-L762 HydrophobicContact CG-CD2 3.66Å; R760-L762 HydrophobicContact CG-CG 3.87Å; L762-I767 HydrophobicContact CB-CD1 3.67Å; L762-I767 HydrophobicContact CB-CG1 3.54Å; L762-I767 HydrophobicContact CD1-CG1 4.25Å; L762-I767 HydrophobicContact CG-CG1 4.46Å; L762-I774 HydrophobicContact CD1-CD1 3.93Å
763P95.6Very high95.7Very high24 Ų2425.5 Ų25.516%0.15615%0.149CC..EExtended strand (participates in β ladder)trans-59.5137.1173.2-22.733.4000111.1Y642 Q765 A766 I767Y642-P763 HydrophobicContact CD1-CG 4.3Å; Y642-P763 HydrophobicContact CD2-CG 3.91Å; Y642-P763 HydrophobicContact CE1-CG 4.09Å; Y642-P763 VanDerWaalsContact CE2-CD 3.46Å; Y642-P763 HydrophobicContact CE2-CG 3.73Å; Y642-P763 HydrophobicContact CG-CG 4.24Å; Y642-P763 VanDerWaalsContact OH-CD 3.29Å; Y642-P763 WeakPolarHBondContact OH-CD 3.44Å; P763-Q765 PolarHBondContact O-N 3.23Å; P763-A766 HydrophobicContact CB-CB 4.12Å; P763-A766 HydrophobicContact CG-CB 4.4Å; P763-A766 PolarHBondContact O-N 3.18Å; P763-I767 PolarHBondContact O-N 2.74Å; P763-I767 VanDerWaalsContact O-N 3.13Å
764V95.4Very high96.1Very high0 Ų021.5 Ų21.50%011%0.108CC..THydrogen-bonded Turntrans-63.1-29.2-174.6179.30000111.9R257 L678 M701 P740 A743 A766 V795R257-V764 PolarHBondContact NH1-O 3.3Å; R257-V764 PolarHBondContact NH2-O 3.31Å; L678-V764 HydrophobicContact CD2-CG2 4.31Å; M701-V764 HydrophobicContact CE-CG2 4.23Å; P740-V764 HydrophobicContact CB-CB 4.41Å; P740-V764 HydrophobicContact CB-CG1 4.05Å; A743-V764 HydrophobicContact CB-CB 4.45Å; A743-V764 HydrophobicContact CB-CG2 3.89Å; A743-V764 PolarHBondContact O-N 3.16Å; V764-A766 VanDerWaalsContact C-N 3.29Å; V764-A766 PolarHBondContact O-N 3.3Å; V764-V795 HydrophobicContact CG1-CG1 4.4Å
765Q91.1Very high96.3Very high97 Ų9720.8 Ų20.845%0.45310%0.097SC..THydrogen-bonded Turntrans-76.9-5173.4-155.1-172.25.500115T741 P763T741-Q765 HydrophobicContact CG2-CG 4.44Å; P763-Q765 PolarHBondContact O-N 3.23Å
766A92.5Very high96.5Very high10 Ų1016 Ų168%0.0838%0.077CC..THydrogen-bonded Turntrans-116.1-16.318000000113.8K311 Y642 P763 V764K311-A766 HydrophobicContact CB-CB 4.11Å; K311-A766 HydrophobicContact CD-CB 4.47Å; K311-A766 HydrophobicContact CG-CB 4.21Å; Y642-A766 HydrophobicContact CD1-CB 4.45Å; Y642-A766 HydrophobicContact CE1-CB 4.1Å; P763-A766 HydrophobicContact CB-CB 4.12Å; P763-A766 HydrophobicContact CG-CB 4.4Å; P763-A766 PolarHBondContact O-N 3.18Å; V764-A766 VanDerWaalsContact C-N 3.29Å; V764-A766 PolarHBondContact O-N 3.3Å
767I95.2Very high96.5Very high1 Ų114.6 Ų14.61%0.0057%0.07CC..BIsolated β-bridgetrans-66.9132173.4-71.1164.3000110.8R257 L745 L762 P763 I793 V795R257-I767 PolarHBondContact NH2-O 2.92Å; L745-I767 HydrophobicContact CB-CD1 3.84Å; L745-I767 HydrophobicContact CD2-CD1 4.02Å; L762-I767 HydrophobicContact CB-CD1 3.67Å; L762-I767 HydrophobicContact CB-CG1 3.54Å; L762-I767 HydrophobicContact CD1-CG1 4.25Å; L762-I767 HydrophobicContact CG-CG1 4.46Å; P763-I767 PolarHBondContact O-N 2.74Å; P763-I767 VanDerWaalsContact O-N 3.13Å; I767-I793 HydrophobicContact CG2-CD1 3.92Å; I767-I793 HydrophobicContact CG2-CG2 3.77Å; I767-V795 HydrophobicContact CG2-CG2 3.91Å
768R95.3Very high96.4Very high69 Ų6914.7 Ų14.726%0.267%0.071SC..PPolyproline II helixtrans-89.9144162.6-71.8162.4161.5-168.9-7.6111.2E303 G305 V306 H772E303-R768 PolarHBondContact O-NH1 3.05Å; G305-R768 WeakPolarHBondContact O-CD 3.29Å; G305-R768 PolarHBondContact O-NH1 3.32Å; V306-R768 PolarHBondContact O-N 2.95Å; R768-H772 PolarHBondContact O-CD2 2.89Å
769P96.6Very high96.1Very high6 Ų618.1 Ų18.14%0.0399%0.087CC..PPolyproline II helixtrans-82.5165168.135.9-34.3000112.1K252 Q253 R254 D255 H772 I793 V795K252-P769 CarbonylContact O-C 3.3Å; Q253-P769 CarbonylContact C-O 3.44Å; R254-P769 VanDerWaalsContact O-CG 3.27Å; R254-P769 WeakPolarHBondContact O-CG 3.49Å; D255-P769 HydrophobicContact CB-CG 4.22Å; P769-H772 PolarHBondContact O-NE2 2.97Å; P769-I793 CarbonylContact C-O 3.56Å; P769-I793 VanDerWaalsContact CA-O 3.25Å; P769-I793 WeakPolarHBondContact CA-O 3.39Å; P769-I793 WeakPolarHBondContact CB-O 3.28Å; P769-V795 HydrophobicContact CB-CG2 4.19Å
770G97.1Very high95.7Very high0 Ų019 Ų190%09%0.09CC..EExtended strand (participates in β ladder)trans112.4-171.4-177.300000112.7K252 Q253 Y792 I793K252-G770 WeakPolarHBondContact O-CA 3.46Å; K252-G770 PolarHBondContact O-N 3.16Å; Q253-G770 VanDerWaalsContact OE1-CA 3.23Å; G770-Y792 WeakPolarHBondContact O-CA 3.38Å; G770-I793 PolarHBondContact N-O 3.3Å; G770-I793 PolarHBondContact O-N 2.7Å
771Y97.9Very high95.5Very high16 Ų1618.9 Ų18.96%0.0639%0.091CC..EExtended strand (participates in β ladder)trans-82.1115.8177.1-60.1-90.1000110.2I228 F232 F248 Q253 N304 I683 F790 V791 Y792I228-Y771 HydrophobicContact CD1-CD1 3.58Å; I228-Y771 HydrophobicContact CD1-CE1 3.48Å; I228-Y771 VanDerWaalsContact CD1-CE1 3.48Å; I228-Y771 HydrophobicContact CG1-CD1 4.31Å; I228-Y771 HydrophobicContact CG1-CE1 3.75Å; I228-Y771 HydrophobicContact CG2-CE1 4.22Å; I228-Y771 HydrophobicContact CG2-CE2 4.27Å; F232-Y771 HydrophobicContact CE2-CE2 4.07Å; F232-Y771 HydrophobicContact CZ-CE2 4.31Å; F248-Y771 AromaticContact CE2-CD2 3.64Å; F248-Y771 HydrophobicContact CE2-CD2 3.64Å; F248-Y771 AromaticContact CE2-CE2 3.86Å; F248-Y771 HydrophobicContact CE2-CE2 3.86Å; F248-Y771 AromaticContact CZ-CD2 3.84Å; F248-Y771 HydrophobicContact CZ-CD2 3.84Å; Q253-Y771 PolarHBondContact NE2-O 2.83Å; N304-Y771 PolarHBondContact ND2-O 2.97Å; I683-Y771 HydrophobicContact CD1-CD1 3.91Å; I683-Y771 HydrophobicContact CD1-CE1 4.08Å; Y771-F790 HydrophobicContact CD1-CE1 4.5Å; Y771-F790 HydrophobicContact CD1-CZ 4.21Å; Y771-F790 HydrophobicContact CG-CZ 4.49Å; Y771-V791 WeakPolarHBondContact CA-O 3.39Å; Y771-Y792 AromaticContact CD1-CD2 3.88Å; Y771-Y792 HydrophobicContact CD1-CD2 3.88Å; Y771-Y792 HydrophobicContact CD1-CG 4.31Å; Y771-Y792 AromaticContact CD2-CD2 3.78Å; Y771-Y792 HydrophobicContact CD2-CD2 3.78Å; Y771-Y792 HydrophobicContact CD2-CE2 4.2Å; Y771-Y792 AromaticContact CE1-CD2 3.73Å; Y771-Y792 HydrophobicContact CE1-CD2 3.73Å; Y771-Y792 HydrophobicContact CE1-CG 4.09Å; Y771-Y792 AromaticContact CE2-CD2 3.61Å; Y771-Y792 HydrophobicContact CE2-CD2 3.61Å; Y771-Y792 AromaticContact CE2-CE2 3.77Å; Y771-Y792 HydrophobicContact CE2-CE2 3.77Å; Y771-Y792 AromaticContact CG-CD2 3.91Å; Y771-Y792 HydrophobicContact CG-CD2 3.91Å; Y771-Y792 AromaticContact CZ-CD2 3.6Å; Y771-Y792 AromaticContact CZ-CE2 3.98Å
772H98Very high95.3Very high2 Ų219.8 Ų19.81%0.00910%0.095CC..EExtended strand (participates in β ladder)trans-136.3150.6-175.3-67-61.5000112.7N304 V306 R768 P769 F790 V791N304-H772 PolarHBondContact O-ND1 3.17Å; V306-H772 HydrophobicContact CB-CB 3.94Å; V306-H772 HydrophobicContact CG2-CB 4.15Å; R768-H772 PolarHBondContact O-CD2 2.89Å; P769-H772 PolarHBondContact O-NE2 2.97Å; H772-F790 WeakPolarHBondContact O-CD2 3.28Å; H772-V791 PolarHBondContact N-O 3.17Å; H772-V791 PolarHBondContact O-N 3.33Å
773Y98Very high95.1Very high18 Ų1820.5 Ų20.57%0.07110%0.099CC..EExtended strand (participates in β ladder)trans-87.1141.6160.4-65.5-82.4000111.1R148 R222 L299 S300 V789 F790R148-Y773 HydrophobicContact CB-CD2 3.92Å; R148-Y773 HydrophobicContact CB-CG 3.94Å; R148-Y773 HydrophobicContact CG-CD1 4.13Å; R148-Y773 HydrophobicContact CG-CD2 4.13Å; R148-Y773 HydrophobicContact CG-CE1 4.42Å; R148-Y773 HydrophobicContact CG-CE2 4.42Å; R148-Y773 HydrophobicContact CG-CG 3.95Å; R222-Y773 PolarHBondContact NH1-OH 2.9Å; L299-Y773 HydrophobicContact CB-CE2 4.11Å; L299-Y773 VanDerWaalsContact O-CD2 3.28Å; L299-Y773 WeakPolarHBondContact O-CD2 3.46Å; S300-Y773 WeakPolarHBondContact OG-CE2 3.31Å; Y773-V789 CarbonylContact C-O 3.53Å; Y773-V789 WeakPolarHBondContact CA-O 3.48Å; Y773-F790 HydrophobicContact CD1-CB 4.03Å; Y773-F790 AromaticContact CD1-CD2 3.86Å; Y773-F790 HydrophobicContact CD1-CD2 3.86Å; Y773-F790 HydrophobicContact CD1-CG 4.37Å; Y773-F790 HydrophobicContact CD2-CD2 4.25Å; Y773-F790 HydrophobicContact CE1-CB 4Å; Y773-F790 AromaticContact CE1-CD2 3.74Å; Y773-F790 HydrophobicContact CE1-CD2 3.74Å; Y773-F790 HydrophobicContact CE1-CG 4.12Å; Y773-F790 HydrophobicContact CE2-CD2 4.15Å; Y773-F790 HydrophobicContact CE2-CE2 4.31Å; Y773-F790 HydrophobicContact CG-CD2 4.13Å; Y773-F790 AromaticContact CZ-CD2 3.92Å
774I98Very high95.1Very high2 Ų221.3 Ų21.31%0.0110%0.102CC..EExtended strand (participates in β ladder)trans-118.496.6171.9-61.9-178.6000106.5V306 I747 R760 L762 L776 A788 V789 V791V306-I774 HydrophobicContact CG1-CG1 4.3Å; V306-I774 HydrophobicContact CG2-CD1 4.4Å; V306-I774 HydrophobicContact CG2-CG1 4.3Å; I747-I774 HydrophobicContact CD1-CD1 3.63Å; R760-I774 HydrophobicContact CB-CG2 3.46Å; R760-I774 VanDerWaalsContact CB-CG2 3.46Å; R760-I774 HydrophobicContact CG-CG2 3.83Å; L762-I774 HydrophobicContact CD1-CD1 3.93Å; I774-L776 PolarHBondContact O-N 3.22Å; I774-A788 WeakPolarHBondContact O-CA 3.36Å; I774-V789 PolarHBondContact N-O 3.35Å; I774-V789 PolarHBondContact O-N 3.15Å; I774-V791 HydrophobicContact CD1-CG1 4.23Å; I774-V791 HydrophobicContact CD1-CG2 3.64Å; I774-V791 HydrophobicContact CG1-CG2 4.09Å
775C97.8Very high95Very high20 Ų2022.6 Ų22.614%0.13511%0.109CC..EExtended strand (participates in β ladder)trans-65.2125170.7-680000109.1F151F151-C775 HydrophobicContact CD2-CB 4.02Å; F151-C775 VanDerWaalsContact CD2-SG 3.55Å; F151-C775 HydrophobicContact CE2-CB 3.96Å
776L97.8Very high95.2Very high0 Ų018.7 Ų18.70%09%0.091CC..EExtended strand (participates in β ladder)trans-80.8161.7-172.6-62.7175.9000111.6L688 V749 I757 I774 L784 P787 V789L688-L776 HydrophobicContact CD2-CD1 4.01Å; V749-L776 HydrophobicContact CB-CD1 3.96Å; V749-L776 HydrophobicContact CG2-CD1 3.51Å; V749-L776 HydrophobicContact CG2-CD2 3.97Å; V749-L776 HydrophobicContact CG2-CG 4.4Å; I757-L776 HydrophobicContact CG2-CD1 4.4Å; I774-L776 PolarHBondContact O-N 3.22Å; L776-L784 HydrophobicContact CB-CD1 4.09Å; L776-L784 WeakPolarHBondContact O-CB 3.33Å; L776-L784 PolarHBondContact O-N 2.98Å; L776-P787 HydrophobicContact CB-CB 4.19Å; L776-P787 HydrophobicContact CD1-CB 3.89Å; L776-P787 HydrophobicContact CG-CB 4.47Å; L776-P787 PolarHBondContact N-O 2.89Å; L776-V789 HydrophobicContact CD1-CG2 4.14Å; L776-V789 HydrophobicContact CD2-CG2 4.02Å; L776-V789 HydrophobicContact CG-CG2 4.31Å
777R96.1Very high95.5Very high6 Ų619.2 Ų19.22%0.0239%0.093CC..EExtended strand (participates in β ladder)trans-134.2147-175.5-57.2-163.3159.1-169.115.6111.8Q144 N145 E641 G758 H759 N781 Q782Q144-R777 PolarHBondContact O-NH2 2.87Å; N145-R777 PolarHBondContact ND2-NH2 3.33Å; N145-R777 PolarHBondContact OD1-NH2 3.09Å; E641-R777 IonicContact OE1-CZ 2.75Å; E641-R777 IonicContact OE1-NH1 3.21Å; E641-R777 PolarHBondContact OE1-NH1 3.39Å; E641-R777 IonicContact OE1-NH2 2.78Å; E641-R777 PolarHBondContact OE1-NH2 3.08Å; E641-R777 IonicContact OE2-CZ 3.6Å; E641-R777 IonicContact OE2-NH1 2.78Å; E641-R777 PolarHBondContact OE2-NH1 3.48Å; E641-R777 IonicContact OE2-NH2 2.87Å; G758-R777 CarbonylContact C-O 3.59Å; G758-R777 WeakPolarHBondContact CA-O 3.45Å; H759-R777 PolarHBondContact N-O 2.99Å; H759-R777 PolarHBondContact ND1-O 3.29Å; H759-R777 VanDerWaalsContact ND1-O 3.11Å; H759-R777 WeakPolarHBondContact O-CA 3.44Å; H759-R777 WeakPolarHBondContact O-CB 3.46Å; H759-R777 PolarHBondContact O-N 3.47Å; R777-N781 WeakPolarHBondContact CD-O 3.47Å; R777-N781 WeakPolarHBondContact CD-OD1 3.31Å; R777-N781 PolarHBondContact NH1-O 2.87Å; R777-N781 PolarHBondContact NH1-OD1 3.03Å; R777-Q782 CarbonylContact C-O 3.5Å; R777-Q782 WeakPolarHBondContact CA-O 3.21Å; R777-Q782 VanDerWaalsContact CB-O 3.23Å; R777-Q782 WeakPolarHBondContact CB-O 3.4Å
778N93.9Very high95.6Very high23 Ų2319.2 Ų19.212%0.1239%0.093CC..  trans-63.7176.3172.574.4-2.3000111H759 R780 N781 Q782 L784H759-N778 PolarHBondContact CE1-O 3.03Å; H759-N778 PolarHBondContact ND1-O 2.81Å; N778-R780 PolarHBondContact O-N 2.81Å; N778-R780 VanDerWaalsContact O-N 3.11Å; N778-R780 WeakPolarHBondContact OD1-CA 2.92Å; N778-R780 WeakPolarHBondContact OD1-CB 3.11Å; N778-R780 PolarHBondContact OD1-N 3.04Å; N778-N781 PolarHBondContact O-N 2.79Å; N778-N781 PolarHBondContact OD1-N 2.91Å; N778-Q782 PolarHBondContact N-O 3.1Å; N778-Q782 PolarHBondContact ND2-OE1 3.23Å; N778-Q782 VanDerWaalsContact ND2-OE1 3.14Å; N778-Q782 WeakPolarHBondContact OD1-CB 3.48Å; N778-Q782 PolarHBondContact OD1-N 3.11Å; N778-Q782 PolarHBondContact OD1-O 2.96Å; N778-L784 HydrophobicContact CB-CD2 4.14Å
779E91.9Very high95.7Very high73 Ų7315.9 Ų15.934%0.3418%0.081SC..THydrogen-bonded Turntrans-57.7-26.1179-56.285.8160.500112.6M629 Q634 F756 N781M629-E779 HydrophobicContact CB-CB 3.93Å; M629-E779 HydrophobicContact CE-CB 4.37Å; M629-E779 WeakPolarHBondContact CE-O 3.27Å; Q634-E779 HydrophobicContact CG-CB 4.39Å; F756-E779 HydrophobicContact CD1-CG 3.85Å; F756-E779 VanDerWaalsContact CD1-OE1 3.27Å; F756-E779 WeakPolarHBondContact CD1-OE1 3.38Å; F756-E779 HydrophobicContact CE1-CG 3.6Å; F756-E779 HydrophobicContact CZ-CG 4.39Å; E779-N781 VanDerWaalsContact C-N 3.27Å; E779-N781 PolarHBondContact O-N 3.43Å
780R89Confident95.8Very high18 Ų1815.7 Ų15.77%0.0688%0.079CC..THydrogen-bonded Turntrans-85.610.6179.5-52.6-97.6176.9-161.5-4.4113.2D110 F626 M629 M637 N778 Q782D110-R780 VanDerWaalsContact CG-CZ 3.46Å; D110-R780 IonicContact OD1-CZ 2.79Å; D110-R780 IonicContact OD1-NH2 3.71Å; D110-R780 PolarHBondContact OD1-NH2 3.15Å; D110-R780 IonicContact OD2-CZ 2.8Å; D110-R780 IonicContact OD2-NE 3.82Å; D110-R780 IonicContact OD2-NH2 3.69Å; D110-R780 PolarHBondContact OD2-NH2 3.15Å; F626-R780 PolarHBondContact O-NH1 3.46Å; M629-R780 HydrophobicContact CE-CB 4.35Å; M629-R780 HydrophobicContact CE-CG 4.09Å; M629-R780 HydrophobicContact SD-CG 4.48Å; M629-R780 PolarHBondContact SD-NH1 3.34Å; M637-R780 WeakPolarHBondContact CE-O 3.34Å; M637-R780 HydrophobicContact SD-CB 4.49Å; N778-R780 PolarHBondContact O-N 2.81Å; N778-R780 VanDerWaalsContact O-N 3.11Å; N778-R780 WeakPolarHBondContact OD1-CA 2.92Å; N778-R780 WeakPolarHBondContact OD1-CB 3.11Å; N778-R780 PolarHBondContact OD1-N 3.04Å; R780-Q782 HydrophobicContact CB-CG 4.4Å; R780-Q782 PolarHBondContact O-N 2.83Å
781N94.3Very high95.8Very high9 Ų915.7 Ų15.75%0.0488%0.079CC..SBendtrans55.426.8-172.8-163.731.3000114.1M637 E641 R760 R777 N778 E779M637-N781 HydrophobicContact CB-CB 3.94Å; M637-N781 PolarHBondContact O-ND2 3.4Å; E641-N781 PolarHBondContact OE2-ND2 3.31Å; R760-N781 PolarHBondContact NH1-OD1 3.04Å; R760-N781 VanDerWaalsContact NH1-OD1 3.16Å; R777-N781 WeakPolarHBondContact CD-O 3.47Å; R777-N781 WeakPolarHBondContact CD-OD1 3.31Å; R777-N781 PolarHBondContact NH1-O 2.87Å; R777-N781 PolarHBondContact NH1-OD1 3.03Å; N778-N781 PolarHBondContact O-N 2.79Å; N778-N781 PolarHBondContact OD1-N 2.91Å; E779-N781 VanDerWaalsContact C-N 3.27Å; E779-N781 PolarHBondContact O-N 3.43Å
782Q92.2Very high95.8Very high20 Ų2016.4 Ų16.49%0.0938%0.082CC..PPolyproline II helixtrans-88.4143.5170-64.4171.2-82.500111S67 P109 R777 N778 R780S67-Q782 PolarHBondContact O-NE2 3.49Å; P109-Q782 PolarHBondContact O-OE1 2.97Å; R777-Q782 CarbonylContact C-O 3.5Å; R777-Q782 WeakPolarHBondContact CA-O 3.21Å; R777-Q782 VanDerWaalsContact CB-O 3.23Å; R777-Q782 WeakPolarHBondContact CB-O 3.4Å; N778-Q782 PolarHBondContact N-O 3.1Å; N778-Q782 PolarHBondContact ND2-OE1 3.23Å; N778-Q782 VanDerWaalsContact ND2-OE1 3.14Å; N778-Q782 WeakPolarHBondContact OD1-CB 3.48Å; N778-Q782 PolarHBondContact OD1-N 3.11Å; N778-Q782 PolarHBondContact OD1-O 2.96Å; R780-Q782 HydrophobicContact CB-CG 4.4Å; R780-Q782 PolarHBondContact O-N 2.83Å
783P93.8Very high95.8Very high16 Ų1616.3 Ų16.310%0.1048%0.081CC..EExtended strand (participates in β ladder)trans-65.9135.9-17827.6-35.4000114F151F151-P783 HydrophobicContact CE1-CB 3.71Å; F151-P783 HydrophobicContact CE1-CG 4.36Å; F151-P783 HydrophobicContact CZ-CB 3.48Å; F151-P783 VanDerWaalsContact CZ-CB 3.48Å; F151-P783 HydrophobicContact CZ-CG 4.26Å
784L94.7Very high95.7Very high42 Ų4218.9 Ų18.922%0.229%0.094CC..EExtended strand (participates in β ladder)trans-91.2133.9169.2-58.4171.8000109.5I757 L776 N778 L786 P787I757-L784 WeakPolarHBondContact O-CD1 3.34Å; L776-L784 HydrophobicContact CB-CD1 4.09Å; L776-L784 WeakPolarHBondContact O-CB 3.33Å; L776-L784 PolarHBondContact O-N 2.98Å; N778-L784 HydrophobicContact CB-CD2 4.14Å; L784-L786 PolarHBondContact O-N 3.37Å; L784-P787 HydrophobicContact CB-CB 4.41Å; L784-P787 HydrophobicContact CB-CG 4.11Å; L784-P787 HydrophobicContact CD1-CB 4.32Å; L784-P787 HydrophobicContact CD1-CG 4.23Å
785M94Very high95.6Very high27 Ų2719 Ų1913%0.13310%0.095CC..EExtended strand (participates in β ladder)trans-69.8-34.4-168.7-168.8-177.675.300114.5F51 K154 A155 K158 L177F51-M785 HydrophobicContact CZ-SD 4.33Å; K154-M785 HydrophobicContact CB-CG 4.45Å; K154-M785 HydrophobicContact CD-CG 4.32Å; K154-M785 HydrophobicContact CG-CG 4.07Å; K154-M785 HydrophobicContact CG-SD 3.97Å; A155-M785 HydrophobicContact CB-CE 3.86Å; A155-M785 HydrophobicContact CB-CG 4.47Å; A155-M785 HydrophobicContact CB-SD 4.34Å; K158-M785 HydrophobicContact CD-CE 4.02Å; K158-M785 HydrophobicContact CD-SD 4.05Å; L177-M785 HydrophobicContact CD1-CE 3.49Å; L177-M785 VanDerWaalsContact CD1-CE 3.49Å
786L95.8Very high95.3Very high15 Ų1522.9 Ų22.98%0.07911%0.109CC..EExtended strand (participates in β ladder)trans-114.3-42-176.3-73.3-174.8000115.1R148 L152 A155 L177 F178 F687 L784 A788R148-L786 VanDerWaalsContact CZ-O 3.25Å; R148-L786 PolarHBondContact NH1-O 3.35Å; R148-L786 PolarHBondContact NH2-O 3.45Å; L152-L786 HydrophobicContact CD2-CD2 4.23Å; A155-L786 HydrophobicContact CB-CD2 3.76Å; L177-L786 HydrophobicContact CD1-CD1 3.59Å; L177-L786 HydrophobicContact CD1-CG 4.37Å; L177-L786 HydrophobicContact CG-CD1 3.93Å; F178-L786 HydrophobicContact CD1-CD1 4.11Å; F178-L786 HydrophobicContact CE1-CD1 3.74Å; F178-L786 HydrophobicContact CE1-CD2 4.16Å; F178-L786 HydrophobicContact CZ-CD1 4.36Å; F687-L786 HydrophobicContact CB-CB 3.81Å; F687-L786 HydrophobicContact CB-CD1 4.43Å; F687-L786 HydrophobicContact CD2-CD2 4.23Å; L784-L786 PolarHBondContact O-N 3.37Å; L786-A788 PolarHBondContact O-N 2.96Å
787P97.6Very high95.1Very high21 Ų2126.2 Ų26.214%0.13613%0.127CC..EExtended strand (participates in β ladder)trans-61.5121.3-178.8-25.934.6000113.9Q686 F687 L688 I757 L776 L784Q686-P787 WeakPolarHBondContact O-CA 3.31Å; F687-P787 WeakPolarHBondContact O-CG 3.42Å; L688-P787 HydrophobicContact CD2-CB 4.39Å; I757-P787 HydrophobicContact CG2-CB 4.34Å; L776-P787 HydrophobicContact CB-CB 4.19Å; L776-P787 HydrophobicContact CD1-CB 3.89Å; L776-P787 HydrophobicContact CG-CB 4.47Å; L776-P787 PolarHBondContact N-O 2.89Å; L784-P787 HydrophobicContact CB-CB 4.41Å; L784-P787 HydrophobicContact CB-CG 4.11Å; L784-P787 HydrophobicContact CD1-CB 4.32Å; L784-P787 HydrophobicContact CD1-CG 4.23Å
788A98.1Very high95Very high0 Ų028.3 Ų28.30%014%0.135CC..EExtended strand (participates in β ladder)trans-144.3152.1174.100000111.7G685 Q686 L688 I774 L786G685-A788 CarbonylContact C-O 3.56Å; G685-A788 WeakPolarHBondContact CA-O 3.26Å; Q686-A788 PolarHBondContact N-O 2.83Å; Q686-A788 PolarHBondContact O-N 3.04Å; Q686-A788 VanDerWaalsContact O-N 3.16Å; L688-A788 WeakPolarHBondContact CD2-O 3.47Å; I774-A788 WeakPolarHBondContact O-CA 3.36Å; L786-A788 PolarHBondContact O-N 2.96Å
789V97.8Very high94.7Very high0 Ų029.8 Ų29.80%015%0.145CC..EExtended strand (participates in β ladder)trans-113.2139.9172.5-175.90000108.8I682 S684 V749 Y773 I774 L776 V791I682-V789 HydrophobicContact CG2-CG1 4.06Å; S684-V789 CarbonylContact O-C 3.57Å; S684-V789 WeakPolarHBondContact O-CA 3.46Å; S684-V789 WeakPolarHBondContact O-CG1 3.3Å; V749-V789 HydrophobicContact CG2-CG2 3.6Å; Y773-V789 CarbonylContact C-O 3.53Å; Y773-V789 WeakPolarHBondContact CA-O 3.48Å; I774-V789 PolarHBondContact N-O 3.35Å; I774-V789 PolarHBondContact O-N 3.15Å; L776-V789 HydrophobicContact CD1-CG2 4.14Å; L776-V789 HydrophobicContact CD2-CG2 4.02Å; L776-V789 HydrophobicContact CG-CG2 4.31Å; V789-V791 HydrophobicContact CG1-CG1 3.75Å
790F97.9Very high94.4Very high1 Ų127.7 Ų27.70%0.00414%0.138CC..EExtended strand (participates in β ladder)trans-104.5128.7171.8-175.3-118.1000109.1E224 I225 I228 L299 I683 S684 Y771 H772 Y773E224-F790 HydrophobicContact CG-CD1 4.27Å; E224-F790 HydrophobicContact CG-CE1 4.4Å; I225-F790 HydrophobicContact CD1-CZ 4.45Å; I225-F790 HydrophobicContact CG1-CE1 4.16Å; I225-F790 HydrophobicContact CG1-CZ 4.35Å; I228-F790 HydrophobicContact CD1-CE1 3.76Å; I228-F790 HydrophobicContact CD1-CZ 4.14Å; L299-F790 HydrophobicContact CD1-CE2 4.31Å; L299-F790 HydrophobicContact CD1-CZ 4.05Å; I683-F790 HydrophobicContact CB-CD1 4.09Å; I683-F790 WeakPolarHBondContact CB-O 3.43Å; I683-F790 HydrophobicContact CD1-CD1 4.16Å; I683-F790 HydrophobicContact CD1-CE1 4.04Å; I683-F790 HydrophobicContact CG2-CD1 4.16Å; I683-F790 PolarHBondContact N-O 3.2Å; S684-F790 PolarHBondContact N-O 3.19Å; S684-F790 VanDerWaalsContact N-O 3.17Å; S684-F790 PolarHBondContact O-N 3.16Å; Y771-F790 HydrophobicContact CD1-CE1 4.5Å; Y771-F790 HydrophobicContact CD1-CZ 4.21Å; Y771-F790 HydrophobicContact CG-CZ 4.49Å; H772-F790 WeakPolarHBondContact O-CD2 3.28Å; Y773-F790 HydrophobicContact CD1-CB 4.03Å; Y773-F790 AromaticContact CD1-CD2 3.86Å; Y773-F790 HydrophobicContact CD1-CD2 3.86Å; Y773-F790 HydrophobicContact CD1-CG 4.37Å; Y773-F790 HydrophobicContact CD2-CD2 4.25Å; Y773-F790 HydrophobicContact CE1-CB 4Å; Y773-F790 AromaticContact CE1-CD2 3.74Å; Y773-F790 HydrophobicContact CE1-CD2 3.74Å; Y773-F790 HydrophobicContact CE1-CG 4.12Å; Y773-F790 HydrophobicContact CE2-CD2 4.15Å; Y773-F790 HydrophobicContact CE2-CE2 4.31Å; Y773-F790 HydrophobicContact CG-CD2 4.13Å; Y773-F790 AromaticContact CZ-CD2 3.92Å
791V97.4Very high94.2Very high0 Ų032.3 Ų32.30%016%0.164CC..EExtended strand (participates in β ladder)trans-135.7157.2-172-57.90000111K681 I682 I747 Y771 H772 I774 V789 I793K681-V791 CarbonylContact O-C 3.51Å; K681-V791 VanDerWaalsContact O-CA 3.31Å; K681-V791 WeakPolarHBondContact O-CA 3.4Å; K681-V791 WeakPolarHBondContact O-CB 3.42Å; I682-V791 HydrophobicContact CD1-CG1 3.7Å; I747-V791 HydrophobicContact CD1-CG1 4.49Å; Y771-V791 WeakPolarHBondContact CA-O 3.39Å; H772-V791 PolarHBondContact N-O 3.17Å; H772-V791 PolarHBondContact O-N 3.33Å; I774-V791 HydrophobicContact CD1-CG1 4.23Å; I774-V791 HydrophobicContact CD1-CG2 3.64Å; I774-V791 HydrophobicContact CG1-CG2 4.09Å; V789-V791 HydrophobicContact CG1-CG1 3.75Å; V791-I793 HydrophobicContact CG2-CD1 3.91Å; V791-I793 HydrophobicContact CG2-CG1 3.86Å
792Y97.6Very high93.8Very high31 Ų3137.3 Ų37.312%0.12220%0.195CC..EExtended strand (participates in β ladder)trans-112130.9159.6173.3-101.9000108.8K252 K681 G770 Y771 E794K252-Y792 HydrophobicContact CD-CE2 4.18Å; K252-Y792 PolarHBondContact NZ-OH 3.09Å; K252-Y792 VanDerWaalsContact NZ-OH 3.15Å; K681-Y792 PolarHBondContact N-O 2.97Å; K681-Y792 PolarHBondContact O-N 2.91Å; G770-Y792 WeakPolarHBondContact O-CA 3.38Å; Y771-Y792 AromaticContact CD1-CD2 3.88Å; Y771-Y792 HydrophobicContact CD1-CD2 3.88Å; Y771-Y792 HydrophobicContact CD1-CG 4.31Å; Y771-Y792 AromaticContact CD2-CD2 3.78Å; Y771-Y792 HydrophobicContact CD2-CD2 3.78Å; Y771-Y792 HydrophobicContact CD2-CE2 4.2Å; Y771-Y792 AromaticContact CE1-CD2 3.73Å; Y771-Y792 HydrophobicContact CE1-CD2 3.73Å; Y771-Y792 HydrophobicContact CE1-CG 4.09Å; Y771-Y792 AromaticContact CE2-CD2 3.61Å; Y771-Y792 HydrophobicContact CE2-CD2 3.61Å; Y771-Y792 AromaticContact CE2-CE2 3.77Å; Y771-Y792 HydrophobicContact CE2-CE2 3.77Å; Y771-Y792 AromaticContact CG-CD2 3.91Å; Y771-Y792 HydrophobicContact CG-CD2 3.91Å; Y771-Y792 AromaticContact CZ-CD2 3.6Å; Y771-Y792 AromaticContact CZ-CE2 3.98Å; Y792-E794 HydrophobicContact CD1-CG 4.29Å; Y792-E794 HydrophobicContact CE1-CG 3.4Å; Y792-E794 VanDerWaalsContact CE1-CG 3.4Å; Y792-E794 VanDerWaalsContact CE1-OE1 3.29Å; Y792-E794 WeakPolarHBondContact CE1-OE1 3.31Å; Y792-E794 PolarHBondContact OH-OE1 2.63Å
793I97.8Very high93.4Very high0 Ų043.1 Ų43.10%022%0.217CC..EExtended strand (participates in β ladder)trans-119.8138.9-178.5-62174.6000108.9V306 L678 S679 I767 P769 G770 V791 V795V306-I793 HydrophobicContact CG2-CD1 4Å; L678-I793 HydrophobicContact CD1-CG2 3.79Å; S679-I793 WeakPolarHBondContact O-CA 3.47Å; I767-I793 HydrophobicContact CG2-CD1 3.92Å; I767-I793 HydrophobicContact CG2-CG2 3.77Å; P769-I793 CarbonylContact C-O 3.56Å; P769-I793 VanDerWaalsContact CA-O 3.25Å; P769-I793 WeakPolarHBondContact CA-O 3.39Å; P769-I793 WeakPolarHBondContact CB-O 3.28Å; G770-I793 PolarHBondContact N-O 3.3Å; G770-I793 PolarHBondContact O-N 2.7Å; V791-I793 HydrophobicContact CG2-CD1 3.91Å; V791-I793 HydrophobicContact CG2-CG1 3.86Å; I793-V795 HydrophobicContact CG2-CG2 3.77Å
794E96.8Very high93Very high73 Ų7344.5 Ų44.534%0.34123%0.23SC..EExtended strand (participates in β ladder)trans-117.7129.7163.2-55.7-166.8157.600109.3L678 S679 Y792L678-E794 CarbonylContact C-O 3.21Å; L678-E794 WeakPolarHBondContact CA-O 3.3Å; S679-E794 PolarHBondContact N-O 3.17Å; S679-E794 PolarHBondContact O-N 2.66Å; Y792-E794 HydrophobicContact CD1-CG 4.29Å; Y792-E794 HydrophobicContact CE1-CG 3.4Å; Y792-E794 VanDerWaalsContact CE1-CG 3.4Å; Y792-E794 VanDerWaalsContact CE1-OE1 3.29Å; Y792-E794 WeakPolarHBondContact CE1-OE1 3.31Å; Y792-E794 PolarHBondContact OH-OE1 2.63Å
795V95.1Very high92.3Very high3 Ų348.6 Ų48.62%0.01825%0.252CS..EExtended strand (participates in β ladder)trans-128.4132.6169.9-145.60000108.4P256 T677 L678 V764 I767 P769 I793P256-V795 VanDerWaalsContact CD-O 3.3Å; P256-V795 WeakPolarHBondContact CD-O 3.44Å; P256-V795 WeakPolarHBondContact CG-O 3.43Å; T677-V795 WeakPolarHBondContact O-CA 3.35Å; L678-V795 HydrophobicContact CD1-CB 4.35Å; L678-V795 HydrophobicContact CD1-CG1 4.03Å; L678-V795 HydrophobicContact CD1-CG2 3.72Å; V764-V795 HydrophobicContact CG1-CG1 4.4Å; I767-V795 HydrophobicContact CG2-CG2 3.91Å; P769-V795 HydrophobicContact CB-CG2 4.19Å; I793-V795 HydrophobicContact CG2-CG2 3.77Å
796K92.8Very high91.9Very high102 Ų10251.1 Ų51.144%0.44327%0.268SS..EExtended strand (participates in β ladder)trans-153.4163.4178.161.7-170.2176.6-164.20110.1P256 N676 T677P256-K796 HydrophobicContact CG-CB 4.27Å; N676-K796 CarbonylContact C-O 3.44Å; N676-K796 VanDerWaalsContact CA-O 3.31Å; N676-K796 WeakPolarHBondContact CA-O 3.48Å; N676-K796 WeakPolarHBondContact CB-O 3.49Å; T677-K796 PolarHBondContact N-O 3.15Å; T677-K796 PolarHBondContact O-N 3.41Å; T677-K796 VanDerWaalsContact O-N 3.1Å
797D93.3Very high91.3Very high70 Ų7054 Ų5437%0.37428%0.283SS..EExtended strand (participates in β ladder)trans-69.4143.6174.2-59.4-42.5000110.9V674 N676 V799V674-D797 HydrophobicContact CG1-CB 3.82Å; V674-D797 VanDerWaalsContact CG1-OD1 3.27Å; V674-D797 WeakPolarHBondContact CG1-OD1 3.17Å; N676-D797 PolarHBondContact ND2-OD1 3.48Å; D797-V799 PolarHBondContact O-N 2.74Å
798Y92.8Very high90.6Very high50 Ų5057.8 Ų57.820%0.19630%0.299CS..  trans-80.1110.5-175.3169-109.8000110.6I669 A675 K735 K736 P800I669-Y798 HydrophobicContact CG2-CD1 3.98Å; I669-Y798 HydrophobicContact CG2-CE1 3.94Å; A675-Y798 HydrophobicContact CB-CD1 4.07Å; A675-Y798 HydrophobicContact CB-CG 4.39Å; A675-Y798 PolarHBondContact O-N 2.85Å; K735-Y798 HydrophobicContact CG-CE2 4.43Å; K735-Y798 VanDerWaalsContact O-CD2 3.28Å; K735-Y798 WeakPolarHBondContact O-CD2 3.46Å; K736-Y798 HydrophobicContact CB-CD2 4.13Å; K736-Y798 HydrophobicContact CB-CE1 4.44Å; K736-Y798 HydrophobicContact CB-CE2 4.04Å; K736-Y798 HydrophobicContact CB-CG 4.39Å; K736-Y798 HydrophobicContact CD-CD1 4.45Å; K736-Y798 HydrophobicContact CD-CE1 3.91Å; K736-Y798 HydrophobicContact CG-CD1 4.11Å; K736-Y798 HydrophobicContact CG-CE1 4.04Å; K736-Y798 HydrophobicContact CG-CG 4.37Å; Y798-P800 HydrophobicContact CE1-CB 4.45Å; Y798-P800 HydrophobicContact CE1-CG 3.88Å
799V87.9Confident90Very high54 Ų5458.7 Ų58.733%0.32731%0.307SS..  trans-96.4122.7169.4-179.70000108.8D797 I807D797-V799 PolarHBondContact O-N 2.74Å; V799-I807 HydrophobicContact CG1-CB 4.15Å; V799-I807 HydrophobicContact CG1-CG1 3.75Å; V799-I807 HydrophobicContact CG2-CB 4.32Å; V799-I807 HydrophobicContact CG2-CG1 4.18Å; V799-I807 HydrophobicContact CG2-CG2 3.96Å
800P87Confident89.4Confident29 Ų2964.6 Ų64.619%0.18834%0.337CS..  trans-64.6139.7170.7-18.431000110.9Y798 T802 Y803Y798-P800 HydrophobicContact CE1-CB 4.45Å; Y798-P800 HydrophobicContact CE1-CG 3.88Å; P800-T802 PolarHBondContact O-N 3.48Å; P800-Y803 HydrophobicContact CB-CD2 4.04Å; P800-Y803 HydrophobicContact CG-CD2 4.08Å; P800-Y803 PolarHBondContact O-N 2.63Å
801D84.7Confident88.8Confident116 Ų11669 Ų6962%0.6237%0.368SS*.G310 helixtrans-54.3-29.8-174.5-50.3-37.2000113K735 Y803K735-D801 WeakPolarHBondContact CE-OD1 3.4Å; K735-D801 IonicContact NZ-OD1 3.07Å; K735-D801 PolarHBondContact NZ-OD1 2.81Å; K735-D801 IonicContact NZ-OD2 2.81Å; K735-D801 PolarHBondContact NZ-OD2 2.78Å; D801-Y803 PolarHBondContact O-N 3.13Å
802T84.6Confident88.2Confident114 Ų11472.3 Ų72.370%0.69939%0.386SS*.G310 helixtrans-69-13.7177.654.80000115.1P800P800-T802 PolarHBondContact O-N 3.48Å
803Y85.4Confident87.5Confident142 Ų14274.2 Ų74.256%0.55740%0.403SS*.G310 helixtrans-122.56.4-176.2-59.9-61.3000113.2P800 D801 D805 V806 I807P800-Y803 HydrophobicContact CB-CD2 4.04Å; P800-Y803 HydrophobicContact CG-CD2 4.08Å; P800-Y803 PolarHBondContact O-N 2.63Å; D801-Y803 PolarHBondContact O-N 3.13Å; Y803-D805 PolarHBondContact O-N 2.82Å; Y803-V806 WeakPolarHBondContact O-CB 3.34Å; Y803-V806 PolarHBondContact O-N 3.46Å; Y803-V806 VanDerWaalsContact O-N 3.08Å; Y803-I807 PolarHBondContact O-N 3.18Å
804A83.3Confident86.8Confident44 Ų4480.1 Ų80.136%0.36443%0.433SS..Hα-helixtrans-53.2-52.7-176.700000112.7V806 I807 E808A804-V806 PolarHBondContact O-N 3.48Å; A804-I807 PolarHBondContact O-N 2.86Å; A804-I807 VanDerWaalsContact O-N 3.14Å; A804-E808 PolarHBondContact O-N 3.36Å
805D81.6Confident86.2Confident129 Ų12983.4 Ų83.469%0.6944%0.442SS*.Hα-helixtrans-58.9-34.8178.7-57.9-13.2000112.7Y803 A809Y803-D805 PolarHBondContact O-N 2.82Å; D805-A809 VanDerWaalsContact O-CB 3.32Å; D805-A809 WeakPolarHBondContact O-CB 3.42Å; D805-A809 PolarHBondContact O-N 3.4Å
806V85.2Confident85.6Confident79 Ų7988.7 Ų88.748%0.47946%0.462SS..Hα-helixtrans-72.6-38.4179.8-175.80000110.6Y803 A804 A809 L810Y803-V806 WeakPolarHBondContact O-CB 3.34Å; Y803-V806 PolarHBondContact O-N 3.46Å; Y803-V806 VanDerWaalsContact O-N 3.08Å; A804-V806 PolarHBondContact O-N 3.48Å; V806-A809 PolarHBondContact O-N 2.82Å; V806-L810 HydrophobicContact CG1-CD1 4.11Å; V806-L810 WeakPolarHBondContact O-CB 3.4Å; V806-L810 VanDerWaalsContact O-CG 3.29Å; V806-L810 WeakPolarHBondContact O-CG 3.34Å; V806-L810 PolarHBondContact O-N 3.22Å
807I83.8Confident85.2Confident76 Ų7687.3 Ų87.339%0.3946%0.462SS..Hα-helixtrans-74.4-34.7176.2-59.2-58.9000111.7V799 Y803 A804 L810 S811V799-I807 HydrophobicContact CG1-CB 4.15Å; V799-I807 HydrophobicContact CG1-CG1 3.75Å; V799-I807 HydrophobicContact CG2-CB 4.32Å; V799-I807 HydrophobicContact CG2-CG1 4.18Å; V799-I807 HydrophobicContact CG2-CG2 3.96Å; Y803-I807 PolarHBondContact O-N 3.18Å; A804-I807 PolarHBondContact O-N 2.86Å; A804-I807 VanDerWaalsContact O-N 3.14Å; I807-L810 HydrophobicContact CD1-CD1 4.29Å; I807-L810 PolarHBondContact O-N 3.5Å; I807-S811 WeakPolarHBondContact O-CB 3.06Å; I807-S811 PolarHBondContact O-N 3.35Å; I807-S811 PolarHBondContact O-OG 3.05Å
808E82.6Confident84.8Confident100 Ų10088.4 Ų88.447%0.46747%0.468SS..Hα-helixtrans-63-42.3169.1-169.3175172.500111.1A804 L810 S811 N812 R815A804-E808 PolarHBondContact O-N 3.36Å; E808-L810 PolarHBondContact O-N 2.99Å; E808-S811 WeakPolarHBondContact CA-OG 3.34Å; E808-S811 PolarHBondContact O-N 2.97Å; E808-S811 PolarHBondContact O-OG 3.1Å; E808-S811 VanDerWaalsContact O-OG 3.08Å; E808-N812 PolarHBondContact O-N 3.49Å; E808-N812 VanDerWaalsContact O-N 3.09Å; E808-R815 IonicContact OE1-CZ 3.01Å; E808-R815 IonicContact OE1-NH1 2.59Å; E808-R815 PolarHBondContact OE1-NH1 3.33Å; E808-R815 IonicContact OE1-NH2 2.6Å; E808-R815 PolarHBondContact OE1-NH2 3.38Å
809A85.1Confident84.3Confident19 Ų1989.1 Ų89.116%0.15748%0.475CS..Hα-helixtrans-64.1-37.6174.800000113.3D805 V806 N812 P813 Y816D805-A809 VanDerWaalsContact O-CB 3.32Å; D805-A809 WeakPolarHBondContact O-CB 3.42Å; D805-A809 PolarHBondContact O-N 3.4Å; V806-A809 PolarHBondContact O-N 2.82Å; A809-N812 CarbonylContact O-C 3.35Å; A809-P813 WeakPolarHBondContact O-CA 3.48Å; A809-Y816 HydrophobicContact CB-CD1 4.31Å; A809-Y816 HydrophobicContact CB-CD2 3.54Å; A809-Y816 HydrophobicContact CB-CE2 3.97Å; A809-Y816 HydrophobicContact CB-CG 3.73Å
810L85.9Confident84Confident124 Ų12489.6 Ų89.665%0.64947%0.474SS*.Hα-helixtrans-75.5-30.7178.3-75.7169.8000113.2V806 I807 E808V806-L810 HydrophobicContact CG1-CD1 4.11Å; V806-L810 WeakPolarHBondContact O-CB 3.4Å; V806-L810 VanDerWaalsContact O-CG 3.29Å; V806-L810 WeakPolarHBondContact O-CG 3.34Å; V806-L810 PolarHBondContact O-N 3.22Å; I807-L810 HydrophobicContact CD1-CD1 4.29Å; I807-L810 PolarHBondContact O-N 3.5Å; E808-L810 PolarHBondContact O-N 2.99Å
811S84Confident84Confident93 Ų9392.4 Ų92.465%0.6549%0.485SS*.Hα-helixtrans-77.9-26.8176.2530000113.2I807 E808I807-S811 WeakPolarHBondContact O-CB 3.06Å; I807-S811 PolarHBondContact O-N 3.35Å; I807-S811 PolarHBondContact O-OG 3.05Å; E808-S811 WeakPolarHBondContact CA-OG 3.34Å; E808-S811 PolarHBondContact O-N 2.97Å; E808-S811 PolarHBondContact O-OG 3.1Å; E808-S811 VanDerWaalsContact O-OG 3.08Å
812N85.2Confident84Confident70 Ų7091.9 Ų91.937%0.37448%0.479SS..  trans-14175.6170.5-163.9-28.5000112.5E808 A809 I814 R815 Y816E808-N812 PolarHBondContact O-N 3.49Å; E808-N812 VanDerWaalsContact O-N 3.09Å; A809-N812 CarbonylContact O-C 3.35Å; N812-I814 VanDerWaalsContact C-N 3.27Å; N812-I814 PolarHBondContact O-N 2.83Å; N812-R815 HydrophobicContact CB-CB 4.17Å; N812-R815 VanDerWaalsContact CG-CB 3.46Å; N812-R815 PolarHBondContact O-N 3.22Å; N812-R815 VanDerWaalsContact OD1-CB 3.24Å; N812-R815 WeakPolarHBondContact OD1-CB 3.45Å; N812-R815 PolarHBondContact OD1-N 3.2Å; N812-Y816 PolarHBondContact O-N 3.12Å; N812-Y816 VanDerWaalsContact O-N 3.14Å
813P83.3Confident84.1Confident72 Ų7292.8 Ų92.847%0.46847%0.469SS..Hα-helixtrans-66.1-29.6-176.424.9-34.1000112.7A809 Y816 V817A809-P813 WeakPolarHBondContact O-CA 3.48Å; P813-Y816 PolarHBondContact O-N 2.86Å; P813-V817 WeakPolarHBondContact O-CB 3.26Å; P813-V817 WeakPolarHBondContact O-CG2 3.43Å; P813-V817 PolarHBondContact O-N 2.81Å
814I83.9Confident83.9Confident123 Ų12388.7 Ų88.763%0.63147%0.465SS*.Hα-helixtrans-64.7-46.3177.5-58.7175.5000110.2N812 Y816 N818N812-I814 VanDerWaalsContact C-N 3.27Å; N812-I814 PolarHBondContact O-N 2.83Å; I814-Y816 VanDerWaalsContact C-N 3.34Å; I814-Y816 PolarHBondContact O-N 3.21Å; I814-N818 VanDerWaalsContact O-CB 3.29Å; I814-N818 WeakPolarHBondContact O-CB 3.41Å; I814-N818 PolarHBondContact O-N 2.6Å; I814-N818 PolarHBondContact O-ND2 3.31Å
815R82.8Confident83.9Confident143 Ų14392.9 Ų92.954%0.5448%0.475SS..Hα-helixtrans-63.1-40175.6178.3171.4163.4-115.8-7.9111.8E808 N812 L819E808-R815 IonicContact OE1-CZ 3.01Å; E808-R815 IonicContact OE1-NH1 2.59Å; E808-R815 PolarHBondContact OE1-NH1 3.33Å; E808-R815 IonicContact OE1-NH2 2.6Å; E808-R815 PolarHBondContact OE1-NH2 3.38Å; N812-R815 HydrophobicContact CB-CB 4.17Å; N812-R815 VanDerWaalsContact CG-CB 3.46Å; N812-R815 PolarHBondContact O-N 3.22Å; N812-R815 VanDerWaalsContact OD1-CB 3.24Å; N812-R815 WeakPolarHBondContact OD1-CB 3.45Å; N812-R815 PolarHBondContact OD1-N 3.2Å; R815-L819 WeakPolarHBondContact O-CB 3.42Å; R815-L819 PolarHBondContact O-N 3.1Å; R815-L819 VanDerWaalsContact O-N 3.09Å
816Y82.9Confident83.8Confident114 Ų11492.2 Ų92.245%0.44747%0.468SS..Hα-helixtrans-64.2-51.6177.5-176.9-91.8000112.2A809 N812 P813 I814 N818 L819 M820A809-Y816 HydrophobicContact CB-CD1 4.31Å; A809-Y816 HydrophobicContact CB-CD2 3.54Å; A809-Y816 HydrophobicContact CB-CE2 3.97Å; A809-Y816 HydrophobicContact CB-CG 3.73Å; N812-Y816 PolarHBondContact O-N 3.12Å; N812-Y816 VanDerWaalsContact O-N 3.14Å; P813-Y816 PolarHBondContact O-N 2.86Å; I814-Y816 VanDerWaalsContact C-N 3.34Å; I814-Y816 PolarHBondContact O-N 3.21Å; Y816-N818 PolarHBondContact O-N 3.01Å; Y816-L819 PolarHBondContact O-N 3.46Å; Y816-M820 HydrophobicContact CD1-CG 4.16Å; Y816-M820 HydrophobicContact CD2-CE 4.38Å; Y816-M820 HydrophobicContact CE1-CG 3.76Å; Y816-M820 HydrophobicContact CE2-CE 4.03Å; Y816-M820 WeakPolarHBondContact O-CG 3.36Å; Y816-M820 PolarHBondContact O-N 3.04Å
817V84.1Confident83.5Confident73 Ų7393.6 Ų93.644%0.44247%0.472SS..Hα-helixtrans-61.4-45.7179.2171.90000111.1P813 L819 M820 E821P813-V817 WeakPolarHBondContact O-CB 3.26Å; P813-V817 WeakPolarHBondContact O-CG2 3.43Å; P813-V817 PolarHBondContact O-N 2.81Å; V817-L819 VanDerWaalsContact C-N 3.28Å; V817-L819 PolarHBondContact O-N 2.83Å; V817-M820 PolarHBondContact O-N 3.44Å; V817-M820 VanDerWaalsContact O-N 3.13Å; V817-E821 PolarHBondContact O-N 3.44Å
818N84.4Confident83.1Confident92 Ų9292.2 Ų92.249%0.49247%0.472SS..Hα-helixtrans-59-38.6176.8-73.4-10.4000112.4I814 Y816 Q822I814-N818 VanDerWaalsContact O-CB 3.29Å; I814-N818 WeakPolarHBondContact O-CB 3.41Å; I814-N818 PolarHBondContact O-N 2.6Å; I814-N818 PolarHBondContact O-ND2 3.31Å; Y816-N818 PolarHBondContact O-N 3.01Å; N818-Q822 WeakPolarHBondContact O-CB 3.36Å; N818-Q822 PolarHBondContact O-N 3.42Å
819L83Confident82.8Confident66 Ų6691.1 Ų91.135%0.34648%0.48SS..Hα-helixtrans-70.7-36.5177.1-174.564.3000112.2R815 Y816 V817 Q822 R823R815-L819 WeakPolarHBondContact O-CB 3.42Å; R815-L819 PolarHBondContact O-N 3.1Å; R815-L819 VanDerWaalsContact O-N 3.09Å; Y816-L819 PolarHBondContact O-N 3.46Å; V817-L819 VanDerWaalsContact C-N 3.28Å; V817-L819 PolarHBondContact O-N 2.83Å; L819-Q822 PolarHBondContact O-N 2.95Å; L819-R823 VanDerWaalsContact O-CG 3.29Å; L819-R823 WeakPolarHBondContact O-CG 3.37Å; L819-R823 PolarHBondContact O-N 3.31Å
820M82Confident81.9Confident63 Ų6397 Ų9731%0.3151%0.508SS..Hα-helixtrans-67.2-43.2173-65.7-49.7110.500111.5Y816 V817 Q822 R823 A824Y816-M820 HydrophobicContact CD1-CG 4.16Å; Y816-M820 HydrophobicContact CD2-CE 4.38Å; Y816-M820 HydrophobicContact CE1-CG 3.76Å; Y816-M820 HydrophobicContact CE2-CE 4.03Å; Y816-M820 WeakPolarHBondContact O-CG 3.36Å; Y816-M820 PolarHBondContact O-N 3.04Å; V817-M820 PolarHBondContact O-N 3.44Å; V817-M820 VanDerWaalsContact O-N 3.13Å; M820-Q822 VanDerWaalsContact C-N 3.34Å; M820-Q822 PolarHBondContact O-N 3.25Å; M820-R823 PolarHBondContact O-N 3.14Å; M820-A824 WeakPolarHBondContact O-CB 3.34Å; M820-A824 PolarHBondContact O-N 3.42Å
821E86.5Confident80.9Confident88 Ų8896.3 Ų96.341%0.41151%0.509SS..Hα-helixtrans-60.3-41.8173.2-82.7-164.6-14800112.3V817 A824 K825V817-E821 PolarHBondContact O-N 3.44Å; E821-A824 PolarHBondContact O-N 2.91Å; E821-K825 WeakPolarHBondContact O-CB 2.93Å; E821-K825 WeakPolarHBondContact O-CD 3.13Å; E821-K825 VanDerWaalsContact O-CG 3.22Å; E821-K825 WeakPolarHBondContact O-CG 3.32Å; E821-K825 PolarHBondContact O-N 2.84Å; E821-K825 WeakPolarHBondContact OE2-CE 3.4Å; E821-K825 IonicContact OE2-NZ 3.01Å; E821-K825 PolarHBondContact OE2-NZ 3Å
822Q84.9Confident79.6Confident106 Ų10698.7 Ų98.750%0.49551%0.513SS..Hα-helixtrans-63.8-43.3178.2-171.3175.917.400111.2N818 L819 M820 K825 Q826N818-Q822 WeakPolarHBondContact O-CB 3.36Å; N818-Q822 PolarHBondContact O-N 3.42Å; L819-Q822 PolarHBondContact O-N 2.95Å; M820-Q822 VanDerWaalsContact C-N 3.34Å; M820-Q822 PolarHBondContact O-N 3.25Å; Q822-K825 PolarHBondContact O-N 2.86Å; Q822-Q826 WeakPolarHBondContact O-CB 3.44Å; Q822-Q826 VanDerWaalsContact O-CG 3.3Å; Q822-Q826 WeakPolarHBondContact O-CG 3.47Å; Q822-Q826 PolarHBondContact O-N 2.8Å
823R85.4Confident77.6Confident132 Ų132104.2 Ų104.250%0.49854%0.537SS..Hα-helixtrans-62.7-43.1173.7-71.2170-178.3-169.50.5111.8L819 M820 Q826 L827L819-R823 VanDerWaalsContact O-CG 3.29Å; L819-R823 WeakPolarHBondContact O-CG 3.37Å; L819-R823 PolarHBondContact O-N 3.31Å; M820-R823 PolarHBondContact O-N 3.14Å; R823-Q826 PolarHBondContact O-N 2.96Å; R823-L827 WeakPolarHBondContact O-CB 3.41Å; R823-L827 WeakPolarHBondContact O-CG 3.45Å; R823-L827 PolarHBondContact O-N 3.1Å
824A83.1Confident75.7Confident56 Ų56108.4 Ų108.446%0.46356%0.555SS.*Hα-helixtrans-63.2-41177.100000112.2M820 E821 L827 A828M820-A824 WeakPolarHBondContact O-CB 3.34Å; M820-A824 PolarHBondContact O-N 3.42Å; E821-A824 PolarHBondContact O-N 2.91Å; A824-L827 PolarHBondContact O-N 3.4Å; A824-A828 WeakPolarHBondContact O-CB 3.32Å; A824-A828 PolarHBondContact O-N 3.36Å
825K81.4Confident73.6Confident133 Ų133112 Ų11258%0.57857%0.57SS**Hα-helixtrans-67.2-36.9175.8-70.2162-168.1169.20112.1E821 Q822 A829E821-K825 WeakPolarHBondContact O-CB 2.93Å; E821-K825 WeakPolarHBondContact O-CD 3.13Å; E821-K825 VanDerWaalsContact O-CG 3.22Å; E821-K825 WeakPolarHBondContact O-CG 3.32Å; E821-K825 PolarHBondContact O-N 2.84Å; E821-K825 WeakPolarHBondContact OE2-CE 3.4Å; E821-K825 IonicContact OE2-NZ 3.01Å; E821-K825 PolarHBondContact OE2-NZ 3Å; Q822-K825 PolarHBondContact O-N 2.86Å; K825-A829 PolarHBondContact O-N 2.8Å
826Q81.1Confident71.5Confident115 Ų115114.5 Ų114.554%0.53759%0.588SS.*Hα-helixtrans-69.3-37.5173.6-74.2170.9-20.500112.6Q822 R823Q822-Q826 WeakPolarHBondContact O-CB 3.44Å; Q822-Q826 VanDerWaalsContact O-CG 3.3Å; Q822-Q826 WeakPolarHBondContact O-CG 3.47Å; Q822-Q826 PolarHBondContact O-N 2.8Å; R823-Q826 PolarHBondContact O-N 2.96Å
827L77.8Confident69.3Low108 Ų108116.1 Ų116.157%0.56560%0.599SS**Hα-helixtrans-69.3-39.9174.2-76.3163.7000112R823 A824 A829 L830 T831R823-L827 WeakPolarHBondContact O-CB 3.41Å; R823-L827 WeakPolarHBondContact O-CG 3.45Å; R823-L827 PolarHBondContact O-N 3.1Å; A824-L827 PolarHBondContact O-N 3.4Å; L827-A829 VanDerWaalsContact C-N 3.25Å; L827-A829 PolarHBondContact O-N 3.42Å; L827-L830 CarbonylContact O-C 3.54Å; L827-L830 WeakPolarHBondContact O-CA 3.31Å; L827-L830 WeakPolarHBondContact O-CB 3.24Å; L827-L830 PolarHBondContact O-N 3.03Å; L827-T831 PolarHBondContact O-N 2.7Å; L827-T831 PolarHBondContact O-OG1 2.86Å
828A76.6Confident66.9Low47 Ų47119.2 Ų119.239%0.38862%0.618SS.*Hα-helixtrans-58.5-37.6176.100000112.3A824 L830 T831 L832A824-A828 WeakPolarHBondContact O-CB 3.32Å; A824-A828 PolarHBondContact O-N 3.36Å; A828-L830 PolarHBondContact O-N 2.77Å; A828-T831 PolarHBondContact O-N 3.01Å; A828-T831 PolarHBondContact O-OG1 2.92Å; A828-L832 WeakPolarHBondContact O-CG 3.34Å
829A75.2Confident64.4Low77 Ų77122.6 Ų122.664%0.63663%0.628SS**THydrogen-bonded Turntrans-71.1-6.3174.400000114.5K825 L827K825-A829 PolarHBondContact O-N 2.8Å; L827-A829 VanDerWaalsContact C-N 3.25Å; L827-A829 PolarHBondContact O-N 3.42Å
830L67.1Low61.8Low143 Ų143127.1 Ų127.175%0.74965%0.645SS**THydrogen-bonded Turntrans-111.2-0.5175-70.1167.6000112.8L827 A828L827-L830 CarbonylContact O-C 3.54Å; L827-L830 WeakPolarHBondContact O-CA 3.31Å; L827-L830 WeakPolarHBondContact O-CB 3.24Å; L827-L830 PolarHBondContact O-N 3.03Å; A828-L830 PolarHBondContact O-N 2.77Å
831T65.2Low59.1Low108 Ų108131.7 Ų131.766%0.66367%0.666SS**SBendtrans-119.113.617957.90000112.9L827 A828L827-T831 PolarHBondContact O-N 2.7Å; L827-T831 PolarHBondContact O-OG1 2.86Å; A828-T831 PolarHBondContact O-N 3.01Å; A828-T831 PolarHBondContact O-OG1 2.92Å
832L55.5Low56.3Low143 Ų143132 Ų13275%0.74968%0.683SS**  trans-112.589.3171.8-68.9171000107.8A828A828-L832 WeakPolarHBondContact O-CG 3.34Å
833E43.3Very low53.6Low187 Ų187133.9 Ų133.987%0.87470%0.697SS**  trans-85.5156.7160.3-64.7-176.8152.600108.8
834D43.5Very low51.7Low159 Ų159133 Ų13385%0.8571%0.708SS**  trans-71.7143-157.4-54.6-87.5000116.7
835E38.8Very low49Very low199 Ų199133.8 Ų133.893%0.9372%0.722SS**  trans-124.2152.1143.1-78.3-162.2154.400109.2
836E39.7Very low46.4Very low196 Ų196136.8 Ų136.892%0.91674%0.738SS**  trans-80.9170.5-139.2-61.4-174.9130.500120
837E37.7Very low43.6Very low148 Ų148137.6 Ų137.669%0.69275%0.751SS**  trans-36.9152.4175.8-46.8-174.3151.700118.6
838V31.7Very low42.2Very low138 Ų138138 Ų13884%0.83676%0.76SS**  -145.6106.8112.7-176.70000112.4
839K31.9Very low39.6Very low162 Ų162140.8 Ų140.870%0.70478%0.776SS**  trans17.3132.2144.2-62.4165.1-174.2166.80121
840K28.7Very low37.3Very low161 Ų161145.5 Ų145.570%0.779%0.785SS**  -165.5122.699.7-111.4-177.6176.9-77.60116.3
841E26.7Very low35.3Very low159 Ų159144.8 Ų144.874%0.74379%0.787SS**  trans53.1127.9137.1-68.6158.5-169.100122.3
842A27Very low34.1Very low94 Ų94145 Ų14578%0.77779%0.79SS**  trans-80.4-170.6161.500000110.7
843D28Very low32.7Very low147 Ų147143.4 Ų143.479%0.78679%0.791SS**  cis-168.8-163.520.7-150.818.5000106.8
844P45.9Very low31.9Very low112 Ų112143.1 Ų143.173%0.72779%0.79SS**  cis-120-179.8-31.115.69.3000113.4
845G25.5Very low31.1Very low73 Ų73141 Ų14175%0.75378%0.782SS**  trans-161.315-178.800000121.1
846E27.2Very low30.4Very low196 Ų196142 Ų14292%0.91678%0.777SS**  trans57.3162.6165.8-61.2-166.613700121.4
847T23.4Very low29.6Very low133 Ų133138.5 Ų138.582%0.81677%0.77SS**  trans-135.6-155.1-172.261.50000108.5
848P46.8Very low28.9Very low115 Ų115137.4 Ų137.475%0.74777%0.773SS**  cis-133.5177.7-2338.6-22000114.6
849S23.8Very low29.3Very low106 Ų106136.2 Ų136.274%0.74177%0.768SS**  trans-173.9110134.762.50000114.6
850E26.9Very low28.9Very low177 Ų177132.8 Ų132.883%0.82777%0.77SS**  trans37.5127133.1-58178.6168.300121.2
851T23.8Very low28.7Very low127 Ų127133.2 Ų133.278%0.77978%0.775SS**  cis81.6155.140.567.90000116.2
852P41.3Very low28.7Very low113 Ų113132.2 Ų132.273%0.73477%0.774SS**  cis-138.3178.7-25.436.7-18.4000115.6
853S24.8Very low28.5Very low109 Ų109131.4 Ų131.476%0.76278%0.775SS**  trans163.9119.6135.7-70.80000109.6
854E27.9Very low28.3Very low182 Ų182130.3 Ų130.385%0.8577%0.774SS**  68.3136.972.7-67.4-142.713500115.1
855V26.1Very low27.3Very low113 Ų113131.3 Ų131.369%0.68577%0.773SS**  cis-156.2135.4-8114.70000112.9
856R23.6Very low27.3Very low220 Ų220134.8 Ų134.883%0.8377%0.769SS**  trans37.9142.5136-133.1-178.4-165.3168.12.8124.7
857T22.4Very low27Very low124 Ų124130.5 Ų130.576%0.76176%0.757SS**  trans88.3144.6143.912.10000123.1
858T24.1Very low27Very low124 Ų124130.2 Ų130.276%0.76176%0.755SS**  trans-98.7-168.6173.856.60000110.4
859P39.4Very low25.8Very low113 Ų113129.3 Ų129.373%0.73475%0.751SS**  cis-139.7177.7-2.443.9-25.4000117.5
860A24.6Very low25.8Very low90 Ų90132.1 Ų132.174%0.74476%0.757SS**  trans57.1143.4137.500000126.3
861E24.5Very low25.8Very low170 Ų170129.4 Ų129.479%0.79475%0.753SS**  trans77.8119.6146.2-77.4-156.1109.800126
862N25.2Very low26Very low138 Ų138129.3 Ų129.374%0.73875%0.754SS**  54.5108.3128.6-72.5-33.7000124.6
863G23.1Very low25.2Very low77 Ų77133.3 Ų133.379%0.79476%0.76SS**  trans87.2-177.313800000118.2
864V24.8Very low25.9Very low125 Ų125133.1 Ų133.176%0.75876%0.756SS**  cis-154.3150.71.4177.40000110
865N23.5Very low26.3Very low132 Ų132130.1 Ų130.171%0.70675%0.752SS**  trans68.2167.7160.6-81.4-10.8000120
866H25.8Very low26.2Very low147 Ų147130 Ų13068%0.68176%0.757SS**  cis-147.4157.94.8-128.4-62.5000113.2
867T22.5Very low26.3Very low106 Ų106128.5 Ų128.565%0.6576%0.759SS**  trans-6.4152.2154.850.80000120.2
868T22.2Very low26.4Very low126 Ų126127 Ų12777%0.77376%0.759SS**  cis-174-176.840.2-14.30000108.8
869S21.9Very low26.5Very low97 Ų97129.1 Ų129.168%0.67877%0.765SS**  cis-166.1-175.9-1.7-160.20000111.9
870L24.1Very low25.8Very low165 Ų165132.8 Ų132.886%0.86477%0.772SS**  trans75.3124.7157.7-60.5-177.8000122.7
871T26.8Very low25.8Very low120 Ų120133.5 Ų133.574%0.73677%0.772SS**  trans-105.8172.2164.562.20000111
872P28Very low26.1Very low124 Ų124133.7 Ų133.781%0.80577%0.772SS**  -154.2121.5100.635-14.7000118.9
873K24.2Very low26.1Very low197 Ų197133.1 Ų133.186%0.85778%0.776SS**  51.9150.4128-84.6-170.1166.8-179.60125.9
874P38.9Very low26.4Very low106 Ų106133.5 Ų133.569%0.68877%0.772SS**  trans-103.6-179.6173.544.4-36.8000113.5
875P36Very low27.3Very low118 Ų118133.8 Ų133.877%0.76678%0.776SS**  -129.9-170.1107.428.2-8.8000111.3
876S24.6Very low27.4Very low110 Ų110131.4 Ų131.477%0.76978%0.783SS**  cis-155.4-176.131.8-63.20000115.1
877Q25.5Very low27.5Very low190 Ų190129.9 Ų129.989%0.88879%0.788SS**  trans-79.5-178.6179.4-62.7153.3-3000112.8
878A24.2Very low27.8Very low91 Ų91132 Ų13275%0.75280%0.801SS**  cis-156.4166.421.900000115.5
879L26.1Very low27.9Very low169 Ų169135.2 Ų135.289%0.88580%0.804SS**  trans-92.1156.2159.4-83.4153.4000110.2
880H26Very low28.2Very low190 Ų190135.1 Ų135.188%0.8881%0.809SS**  trans-140.9158.2162.4-113.5-64.7000112.3
881S23.7Very low28.4Very low106 Ų106133.7 Ų133.774%0.74181%0.81SS**  trans-105.1175.6-162.754.80000115
882Q31.1Very low28.4Very low174 Ų174132.3 Ų132.381%0.81381%0.81SS**  trans-59.1166.8177.7-54.6-179.4-6.300114
883P25.9Very low29.1Very low126 Ų126135.6 Ų135.682%0.81881%0.812SS**  -139.1170.395.240.1-29.2000115.7
884A28.9Very low29.5Very low85 Ų85132.7 Ų132.770%0.70281%0.811SS**  trans-108.5-173.4166.200000109.4
885P43.9Very low29.9Very low131 Ų131136 Ų13685%0.85182%0.818SS**  cis-129.5-175.9-7.542.2-26.6000113.7
886G25.2Very low31.2Very low81 Ų81134.3 Ų134.384%0.83580%0.802SS**  trans-172.3125.9168.300000114.1
887S27.9Very low33.1Very low115 Ų115130.2 Ų130.280%0.80477%0.771SS**  trans-106.8137.5-17662.60000113.4
888V28.8Very low35.4Very low151 Ų151121.6 Ų121.692%0.91573%0.731SS**  trans-126.1143.7162.9-174.90000108.8
889K23.3Very low37.7Very low194 Ų194123.5 Ų123.584%0.84373%0.725SS**  trans-97.1148.9-170.2-70.3179.6175.6177.10113.3
890A28.3Very low40Very low94 Ų94118 Ų11878%0.77770%0.7SS**  trans69.7162.1146.500000116.6
891P28.6Very low42.3Very low135 Ų135109.6 Ų109.688%0.87766%0.662SS**  cis-101.6-175.95.840.1-33.2000114.8
892A27.6Very low44.9Very low91 Ų91106.3 Ų106.375%0.75264%0.636SS**  trans-112.7166.6-169.100000113.6
893K41.9Very low47.2Very low194 Ų194101.7 Ų101.784%0.84362%0.62SS**  trans64.987163.7-61.9-176.2178.5-177.10117.6
894T32.4Very low49.6Very low135 Ų135104 Ų10483%0.82862%0.619SS**  -141122.9121.8-39.70000107.9
895E47.1Very low52Low177 Ų177101.9 Ų101.983%0.82760%0.598SS**  trans-68.8128.1164.7-70177.2122.800107.8L897E895-L897 PolarHBondContact O-N 3.42Å; E895-L897 VanDerWaalsContact O-N 3.17Å
896D64Low53.8Low81 Ų81102 Ų10243%0.43359%0.587SS.*  trans-68.8117.6172.7-165.1-25.6000108.6I898 Q899 S900D896-I898 PolarHBondContact O-N 3.33Å; D896-I898 VanDerWaalsContact O-N 3.09Å; D896-I898 WeakPolarHBondContact OD1-CB 3.17Å; D896-I898 PolarHBondContact OD1-N 2.84Å; D896-I898 VanDerWaalsContact OD1-N 3.07Å; D896-Q899 HydrophobicContact CB-CB 4.32Å; D896-Q899 PolarHBondContact O-N 3.49Å; D896-S900 PolarHBondContact O-N 2.64Å; D896-S900 VanDerWaalsContact O-N 3.15Å
897L65.3Low56.7Low25 Ų2599 Ų9913%0.13156%0.555CS.*THydrogen-bonded Turntrans-57.5-28.2-176.7-164.264.8000111.6E895 S900 V901 L1068 K1071 M1072 Y1109E895-L897 PolarHBondContact O-N 3.42Å; E895-L897 VanDerWaalsContact O-N 3.17Å; L897-S900 PolarHBondContact O-OG 3.02Å; L897-V901 WeakPolarHBondContact O-CG2 3.36Å; L897-L1068 HydrophobicContact CB-CD1 4.47Å; L897-L1068 HydrophobicContact CD2-CD1 3.69Å; L897-L1068 HydrophobicContact CG-CD1 3.84Å; L897-K1071 HydrophobicContact CD1-CB 4.22Å; L897-K1071 HydrophobicContact CD1-CD 3.93Å; L897-K1071 HydrophobicContact CD2-CB 4.4Å; L897-K1071 HydrophobicContact CG-CD 4.49Å; L897-M1072 HydrophobicContact CD2-CG 4.16Å; L897-M1072 HydrophobicContact CD2-SD 3.65Å; L897-Y1109 HydrophobicContact CB-CE1 4.25Å
898I72.8Confident59.5Low9 Ų996 Ų965%0.04653%0.528CS..THydrogen-bonded Turntrans-72-46.4178-64.1163.4000110.8D896 S900 V901 L902 Y1109 R1112 L1113 A1116D896-I898 PolarHBondContact O-N 3.33Å; D896-I898 VanDerWaalsContact O-N 3.09Å; D896-I898 WeakPolarHBondContact OD1-CB 3.17Å; D896-I898 PolarHBondContact OD1-N 2.84Å; D896-I898 VanDerWaalsContact OD1-N 3.07Å; I898-S900 PolarHBondContact O-N 3.29Å; I898-V901 PolarHBondContact O-N 3.26Å; I898-L902 HydrophobicContact CG2-CD1 3.83Å; I898-L902 HydrophobicContact CG2-CG 4.17Å; I898-L902 WeakPolarHBondContact O-CG 3.44Å; I898-L902 PolarHBondContact O-N 3.02Å; I898-L902 VanDerWaalsContact O-N 3.09Å; I898-Y1109 HydrophobicContact CD1-CD1 4.09Å; I898-Y1109 HydrophobicContact CG1-CD1 4.21Å; I898-R1112 HydrophobicContact CD1-CB 3.35Å; I898-R1112 HydrophobicContact CD1-CG 4.44Å; I898-L1113 HydrophobicContact CG1-CB 4.5Å; I898-L1113 HydrophobicContact CG2-CB 4.49Å; I898-L1113 HydrophobicContact CG2-CD1 4Å; I898-A1116 HydrophobicContact CG2-CB 4.3Å
899Q73.9Confident62.4Low131 Ų13191.7 Ų91.761%0.61250%0.502SS*.THydrogen-bonded Turntrans-64.8-28177.4-163.565.828.400111.6D896 V901D896-Q899 HydrophobicContact CB-CB 4.32Å; D896-Q899 PolarHBondContact O-N 3.49Å; Q899-V901 PolarHBondContact O-N 3.06Å; Q899-V901 VanDerWaalsContact O-N 3.17Å
900S72.6Confident65.4Low54 Ų5482.9 Ų82.938%0.37846%0.464SS..THydrogen-bonded Turntrans-71.83173.185.40000115.2D896 L897 I898 K1071D896-S900 PolarHBondContact O-N 2.64Å; D896-S900 VanDerWaalsContact O-N 3.15Å; L897-S900 PolarHBondContact O-OG 3.02Å; I898-S900 PolarHBondContact O-N 3.29Å; S900-K1071 PolarHBondContact O-NZ 2.62Å; S900-K1071 PolarHBondContact OG-NZ 2.87Å
901V74.9Confident68.2Low12 Ų1283.8 Ų83.87%0.07345%0.452CS..THydrogen-bonded Turntrans-130.5-32-175.1174.10000111.9L897 I898 Q899 T903 E1064 E1067 K1071L897-V901 WeakPolarHBondContact O-CG2 3.36Å; I898-V901 PolarHBondContact O-N 3.26Å; Q899-V901 PolarHBondContact O-N 3.06Å; Q899-V901 VanDerWaalsContact O-N 3.17Å; V901-T903 PolarHBondContact O-N 3.33Å; V901-E1064 HydrophobicContact CG1-CB 3.59Å; V901-E1064 HydrophobicContact CG1-CG 3.8Å; V901-E1064 WeakPolarHBondContact CG1-O 3.34Å; V901-E1067 HydrophobicContact CG1-CB 4.24Å; V901-K1071 HydrophobicContact CG2-CD 3.88Å
902L78.6Confident71.1Confident38 Ų3880.8 Ų80.820%0.19943%0.426CS..PPolyproline II helixtrans-62.3121-179.2-73.7168.9000112.8I898 E1064 L1113 A1116 Q1117I898-L902 HydrophobicContact CG2-CD1 3.83Å; I898-L902 HydrophobicContact CG2-CG 4.17Å; I898-L902 WeakPolarHBondContact O-CG 3.44Å; I898-L902 PolarHBondContact O-N 3.02Å; I898-L902 VanDerWaalsContact O-N 3.09Å; L902-E1064 WeakPolarHBondContact CA-OE1 3.28Å; L902-L1113 HydrophobicContact CD2-CD1 3.92Å; L902-L1113 HydrophobicContact CG-CD1 4.4Å; L902-A1116 HydrophobicContact CD1-CB 3.97Å; L902-A1116 HydrophobicContact CD2-CB 4.43Å; L902-Q1117 HydrophobicContact CD2-CG 4.36Å
903T79.8Confident74Confident76 Ų7676.7 Ų76.747%0.46639%0.392SS..PPolyproline II helixtrans-94135.2171.6-54.10000110.9V901 E1064 R1120V901-T903 PolarHBondContact O-N 3.33Å; T903-E1064 PolarHBondContact N-OE1 2.85Å; T903-R1120 PolarHBondContact O-NH1 3.45Å
904E75.8Confident76.2Confident174 Ų17470.3 Ų70.381%0.81336%0.364SS*.PPolyproline II helixtrans-81.6148.1176.7-61.7-161.2137.300112.3
905V80Confident79Confident41 Ų4170.7 Ų70.725%0.24836%0.356CS..  trans-141.5120.6179.7179.70000107.9L1057 I1060 L1124V905-L1057 HydrophobicContact CB-CD1 4.17Å; V905-L1057 HydrophobicContact CG2-CD1 3.85Å; V905-I1060 HydrophobicContact CG2-CD1 3.7Å; V905-L1124 HydrophobicContact CG1-CD2 4.25Å
906E81.1Confident81.1Confident134 Ų13465.4 Ų65.463%0.62633%0.332SS*.PPolyproline II helixtrans-100.5157.9-178.8-60-144.189.400112.7Q1053 K1127E906-Q1053 PolarHBondContact O-NE2 3.3Å; E906-K1127 IonicContact OE1-NZ 2.71Å; E906-K1127 PolarHBondContact OE1-NZ 2.68Å
907A86.1Confident82.4Confident19 Ų1970.4 Ų70.416%0.15735%0.349CS..PPolyproline II helixtrans-82143173.300000110.8L1124 K1127 I1131A907-L1124 HydrophobicContact CB-CD1 4.03Å; A907-K1127 HydrophobicContact CB-CB 3.85Å; A907-K1127 HydrophobicContact CB-CD 4.15Å; A907-I1131 HydrophobicContact CB-CD1 3.71Å
908Q86.6Confident83.4Confident52 Ų5271.8 Ų71.824%0.24336%0.361CS..PPolyproline II helixtrans-70.2145.2176.6-64.7-168.6-63.200112.2E912 L913 C1049 I1131Q908-E912 WeakPolarHBondContact CA-OE2 3.46Å; Q908-E912 HydrophobicContact CB-CB 4.37Å; Q908-E912 VanDerWaalsContact CB-OE2 3.26Å; Q908-E912 WeakPolarHBondContact CB-OE2 3.44Å; Q908-E912 WeakPolarHBondContact CG-OE2 3.25Å; Q908-L913 HydrophobicContact CB-CD2 4.49Å; Q908-C1049 VanDerWaalsContact OE1-CB 3.24Å; Q908-C1049 PolarHBondContact OE1-SG 2.57Å; Q908-I1131 WeakPolarHBondContact O-CD1 3.08Å
909T89.4Confident84.4Confident59 Ų5972 Ų7236%0.36236%0.362SS..PPolyproline II helixtrans-75.3162.6177.159.60000112.8E911 E912 L913T909-E911 PolarHBondContact O-N 2.99Å; T909-E912 WeakPolarHBondContact CG2-OE1 3.41Å; T909-E912 PolarHBondContact N-OE1 3.05Å; T909-E912 PolarHBondContact O-N 2.58Å; T909-E912 VanDerWaalsContact OG1-CG 3.26Å; T909-E912 WeakPolarHBondContact OG1-CG 3.37Å; T909-E912 PolarHBondContact OG1-N 2.89Å; T909-E912 PolarHBondContact OG1-OE1 2.84Å; T909-L913 WeakPolarHBondContact O-CG 3.22Å; T909-L913 PolarHBondContact O-N 3.21Å; T909-L913 VanDerWaalsContact O-N 3.09Å
910I86.4Confident85.3Confident9 Ų968 Ų685%0.04635%0.346CS..Hα-helixtrans-64.4-31.6176.5-70.5177.7000110.7L913 K914 L1042 I1131 Q1134 I1135I910-L913 PolarHBondContact O-N 3.36Å; I910-K914 HydrophobicContact CG2-CD 3.87Å; I910-K914 VanDerWaalsContact CG2-CE 3.42Å; I910-K914 HydrophobicContact CG2-CG 4.38Å; I910-K914 WeakPolarHBondContact O-CB 3.44Å; I910-K914 VanDerWaalsContact O-CG 3.3Å; I910-K914 WeakPolarHBondContact O-CG 3.42Å; I910-K914 PolarHBondContact O-N 3.43Å; I910-L1042 HydrophobicContact CG2-CD2 4.42Å; I910-I1131 HydrophobicContact CG1-CG2 3.97Å; I910-Q1134 HydrophobicContact CD1-CB 3.55Å; I910-I1135 HydrophobicContact CD1-CG1 4.02Å; I910-I1135 HydrophobicContact CG1-CG1 4.23Å
911E87.6Confident86.1Confident114 Ų11473.1 Ų73.153%0.53336%0.362SS..Hα-helixtrans-64.1-44.5176-67.259.2-132.800111.1T909 K914 Q915T909-E911 PolarHBondContact O-N 2.99Å; E911-K914 PolarHBondContact O-N 3.09Å; E911-Q915 WeakPolarHBondContact O-CG 3.29Å; E911-Q915 PolarHBondContact O-N 3.4Å; E911-Q915 VanDerWaalsContact O-N 3.1Å
912E88.3Confident86.9Confident72 Ų7274.1 Ų74.134%0.33637%0.366SS..Hα-helixtrans-65.3-36.3173.3-73.5158-12600112.8Q908 T909 Q915 Q916Q908-E912 WeakPolarHBondContact CA-OE2 3.46Å; Q908-E912 HydrophobicContact CB-CB 4.37Å; Q908-E912 VanDerWaalsContact CB-OE2 3.26Å; Q908-E912 WeakPolarHBondContact CB-OE2 3.44Å; Q908-E912 WeakPolarHBondContact CG-OE2 3.25Å; T909-E912 WeakPolarHBondContact CG2-OE1 3.41Å; T909-E912 PolarHBondContact N-OE1 3.05Å; T909-E912 PolarHBondContact O-N 2.58Å; T909-E912 VanDerWaalsContact OG1-CG 3.26Å; T909-E912 WeakPolarHBondContact OG1-CG 3.37Å; T909-E912 PolarHBondContact OG1-N 2.89Å; T909-E912 PolarHBondContact OG1-OE1 2.84Å; E912-Q915 PolarHBondContact O-N 3.24Å; E912-Q916 PolarHBondContact O-NE2 2.97Å
913L89.6Confident87.5Confident4 Ų476.4 Ų76.42%0.02138%0.376CS..Hα-helixtrans-69.6-38.4176.3-65.2170.9000111.3Q908 T909 I910 Q915 Q916 L1042 V1045 A1046 C1049 I1131 I1135Q908-L913 HydrophobicContact CB-CD2 4.49Å; T909-L913 WeakPolarHBondContact O-CG 3.22Å; T909-L913 PolarHBondContact O-N 3.21Å; T909-L913 VanDerWaalsContact O-N 3.09Å; I910-L913 PolarHBondContact O-N 3.36Å; L913-Q915 VanDerWaalsContact C-N 3.27Å; L913-Q915 PolarHBondContact O-N 3.26Å; L913-Q916 WeakPolarHBondContact O-CB 3.46Å; L913-Q916 WeakPolarHBondContact O-CG 3.46Å; L913-Q916 PolarHBondContact O-N 3.47Å; L913-L1042 HydrophobicContact CB-CD1 3.78Å; L913-V1045 HydrophobicContact CB-CG1 4.43Å; L913-V1045 HydrophobicContact CD2-CG1 4.08Å; L913-A1046 HydrophobicContact CD1-CB 3.92Å; L913-C1049 HydrophobicContact CD2-CB 3.74Å; L913-I1131 HydrophobicContact CD1-CG2 3.98Å; L913-I1135 HydrophobicContact CD1-CD1 4.43Å
914K87.9Confident88.1Confident60 Ų6080 Ų8026%0.26139%0.385SS..Hα-helixtrans-68.7-21.3173.4-73.7170.9-179.5170.80113.1I910 E911 Q916 F919 L1042 E1138I910-K914 HydrophobicContact CG2-CD 3.87Å; I910-K914 VanDerWaalsContact CG2-CE 3.42Å; I910-K914 HydrophobicContact CG2-CG 4.38Å; I910-K914 WeakPolarHBondContact O-CB 3.44Å; I910-K914 VanDerWaalsContact O-CG 3.3Å; I910-K914 WeakPolarHBondContact O-CG 3.42Å; I910-K914 PolarHBondContact O-N 3.43Å; E911-K914 PolarHBondContact O-N 3.09Å; K914-Q916 VanDerWaalsContact C-N 3.34Å; K914-F919 HydrophobicContact CB-CD1 4.35Å; K914-F919 HydrophobicContact CB-CE1 4.11Å; K914-F919 HydrophobicContact CG-CE1 4.03Å; K914-F919 HydrophobicContact CG-CZ 4.19Å; K914-F919 WeakPolarHBondContact O-CD1 3.28Å; K914-L1042 HydrophobicContact CD-CD2 4.46Å; K914-L1042 VanDerWaalsContact CE-CD2 3.49Å; K914-L1042 HydrophobicContact CG-CD1 3.79Å; K914-L1042 HydrophobicContact CG-CD2 4.11Å; K914-E1138 WeakPolarHBondContact CE-OE2 3.47Å; K914-E1138 IonicContact NZ-OE1 2.74Å; K914-E1138 PolarHBondContact NZ-OE1 3.42Å; K914-E1138 IonicContact NZ-OE2 3.89Å; K914-E1138 PolarHBondContact NZ-OE2 2.75Å
915Q90.8Very high88.8Confident143 Ų14377.2 Ų77.267%0.66837%0.37SS*.THydrogen-bonded Turntrans-80.2-9.1173.2-73.4173.441.900114.1E911 E912 L913 K917E911-Q915 WeakPolarHBondContact O-CG 3.29Å; E911-Q915 PolarHBondContact O-N 3.4Å; E911-Q915 VanDerWaalsContact O-N 3.1Å; E912-Q915 PolarHBondContact O-N 3.24Å; L913-Q915 VanDerWaalsContact C-N 3.27Å; L913-Q915 PolarHBondContact O-N 3.26Å; Q915-K917 PolarHBondContact O-N 3.23Å
916Q92.4Very high89.5Confident67 Ų6775.7 Ų75.731%0.31336%0.36SS..SBendtrans-63.5137.2-176.1-65.5-57.5-35.500112.9E912 L913 K914 S918 F919 V920 V1045E912-Q916 PolarHBondContact O-NE2 2.97Å; L913-Q916 WeakPolarHBondContact O-CB 3.46Å; L913-Q916 WeakPolarHBondContact O-CG 3.46Å; L913-Q916 PolarHBondContact O-N 3.47Å; K914-Q916 VanDerWaalsContact C-N 3.34Å; Q916-S918 PolarHBondContact O-N 3.4Å; Q916-F919 PolarHBondContact O-N 2.77Å; Q916-V920 PolarHBondContact O-N 3.35Å; Q916-V1045 HydrophobicContact CB-CG1 3.82Å; Q916-V1045 HydrophobicContact CG-CG1 3.59Å
917K90.1Very high89.8Confident185 Ų18575.3 Ų75.380%0.80435%0.354SS*.Hα-helixtrans-52.6-34-173.1-172.7177.9-178.9179.50113.5Q915 K921Q915-K917 PolarHBondContact O-N 3.23Å; K917-K921 VanDerWaalsContact O-CB 3.29Å; K917-K921 WeakPolarHBondContact O-CB 3.22Å; K917-K921 PolarHBondContact O-N 3.06Å; K917-K921 VanDerWaalsContact O-N 3.15Å
918S87.8Confident90.1Very high54 Ų5481 Ų8138%0.37838%0.375SS..Hα-helixtrans-71.6-42177.452.70000113Q916 L922 V1045Q916-S918 PolarHBondContact O-N 3.4Å; S918-L922 PolarHBondContact O-N 2.67Å; S918-V1045 WeakPolarHBondContact OG-CG2 3.43Å
919F92.6Very high90.3Very high15 Ų1581.6 Ų81.67%0.06638%0.378CS..Hα-helixtrans-69-47.9176.2-176.9-90.1000111.5K914 Q916 K921 L922 Q923 L1038 K1041 L1042K914-F919 HydrophobicContact CB-CD1 4.35Å; K914-F919 HydrophobicContact CB-CE1 4.11Å; K914-F919 HydrophobicContact CG-CE1 4.03Å; K914-F919 HydrophobicContact CG-CZ 4.19Å; K914-F919 WeakPolarHBondContact O-CD1 3.28Å; Q916-F919 PolarHBondContact O-N 2.77Å; F919-K921 VanDerWaalsContact C-N 3.26Å; F919-K921 PolarHBondContact O-N 2.86Å; F919-L922 WeakPolarHBondContact O-CB 3.4Å; F919-L922 PolarHBondContact O-N 3.02Å; F919-Q923 PolarHBondContact O-N 3.26Å; F919-L1038 HydrophobicContact CD2-CD2 4.45Å; F919-L1038 HydrophobicContact CE1-CD2 4.45Å; F919-L1038 HydrophobicContact CE2-CB 4.21Å; F919-L1038 HydrophobicContact CE2-CD2 3.8Å; F919-L1038 WeakPolarHBondContact CE2-O 3.07Å; F919-L1038 HydrophobicContact CZ-CB 4.45Å; F919-L1038 HydrophobicContact CZ-CD2 3.82Å; F919-K1041 HydrophobicContact CD2-CB 4.45Å; F919-L1042 HydrophobicContact CD2-CB 4.1Å; F919-L1042 HydrophobicContact CD2-CD1 4.35Å; F919-L1042 HydrophobicContact CE2-CB 3.8Å; F919-L1042 HydrophobicContact CE2-CD1 4.35Å
920V92.1Very high90.5Very high45 Ų4579.4 Ų79.427%0.27336%0.364SS..Hα-helixtrans-60-35.9177.4177.70000111.6Q916 Q923 K924Q916-V920 PolarHBondContact O-N 3.35Å; V920-Q923 PolarHBondContact O-N 3.08Å; V920-K924 HydrophobicContact CG1-CD 4.44Å; V920-K924 WeakPolarHBondContact O-CG 3.3Å; V920-K924 PolarHBondContact O-N 3.14Å
921K91.1Very high90.7Very high163 Ų16383.4 Ų83.471%0.70938%0.381SS*.Hα-helixtrans-64.1-38.7173.8-173.4177.7-179.8-177.50112.1K917 F919 K925K917-K921 VanDerWaalsContact O-CB 3.29Å; K917-K921 WeakPolarHBondContact O-CB 3.22Å; K917-K921 PolarHBondContact O-N 3.06Å; K917-K921 VanDerWaalsContact O-N 3.15Å; F919-K921 VanDerWaalsContact C-N 3.26Å; F919-K921 PolarHBondContact O-N 2.86Å; K921-K925 PolarHBondContact O-N 2.99Å; K921-K925 VanDerWaalsContact O-N 3.09Å
922L91.6Very high90.8Very high33 Ų3380.6 Ų80.617%0.17337%0.37CS..Hα-helixtrans-68.4-43.7175.8-174.862.3000111.6S918 F919 K924 K925 H926 L1038 K1041S918-L922 PolarHBondContact O-N 2.67Å; F919-L922 WeakPolarHBondContact O-CB 3.4Å; F919-L922 PolarHBondContact O-N 3.02Å; L922-K924 VanDerWaalsContact C-N 3.32Å; L922-K924 PolarHBondContact O-N 2.85Å; L922-K925 HydrophobicContact CD1-CD 4.43Å; L922-K925 WeakPolarHBondContact O-CB 3.3Å; L922-K925 PolarHBondContact O-N 3.41Å; L922-K925 VanDerWaalsContact O-N 3.09Å; L922-H926 VanDerWaalsContact CD1-NE2 3.35Å; L922-H926 WeakPolarHBondContact CD1-NE2 3.49Å; L922-H926 PolarHBondContact O-N 3.16Å; L922-L1038 HydrophobicContact CD2-CD2 4.18Å; L922-L1038 HydrophobicContact CG-CD2 4.25Å; L922-K1041 HydrophobicContact CD2-CB 3.51Å; L922-K1041 HydrophobicContact CD2-CG 3.75Å
923Q90.3Very high91Very high86 Ų8677.7 Ų77.740%0.40236%0.357SS..Hα-helixtrans-59.7-42176.7-162.1-178.124.600111.8F919 V920 H926 Y927 L1038F919-Q923 PolarHBondContact O-N 3.26Å; V920-Q923 PolarHBondContact O-N 3.08Å; Q923-H926 PolarHBondContact O-N 2.71Å; Q923-Y927 PolarHBondContact O-N 2.95Å; Q923-L1038 HydrophobicContact CB-CD2 4.38Å
924K91.6Very high90.8Very high150 Ų15078.2 Ų78.265%0.65236%0.36SS*.Hα-helixtrans-65-35173.5-72.9-178.6178.8-174.90113.2V920 L922 K928V920-K924 HydrophobicContact CG1-CD 4.44Å; V920-K924 WeakPolarHBondContact O-CG 3.3Å; V920-K924 PolarHBondContact O-N 3.14Å; L922-K924 VanDerWaalsContact C-N 3.32Å; L922-K924 PolarHBondContact O-N 2.85Å; K924-K928 PolarHBondContact O-N 3.42Å
925K92.4Very high90.9Very high117 Ų11780.7 Ų80.751%0.50937%0.371SS..Hα-helixtrans-63.4-51.1172.3174.6-178.3166.6-178.10110.8K921 L922 Y927 K928 E929K921-K925 PolarHBondContact O-N 2.99Å; K921-K925 VanDerWaalsContact O-N 3.09Å; L922-K925 HydrophobicContact CD1-CD 4.43Å; L922-K925 WeakPolarHBondContact O-CB 3.3Å; L922-K925 PolarHBondContact O-N 3.41Å; L922-K925 VanDerWaalsContact O-N 3.09Å; K925-Y927 VanDerWaalsContact C-N 3.33Å; K925-Y927 PolarHBondContact O-N 2.76Å; K925-K928 WeakPolarHBondContact O-CB 3.33Å; K925-K928 PolarHBondContact O-N 3.22Å; K925-K928 VanDerWaalsContact O-N 3.09Å; K925-E929 WeakPolarHBondContact CE-OE1 3.46Å; K925-E929 IonicContact NZ-OE1 3.06Å; K925-E929 PolarHBondContact O-N 3.3Å
926H94.3Very high90.8Very high8 Ų881.4 Ų81.44%0.03737%0.367CS..Hα-helixtrans-58.9-42.2179.9-68.3178.3000112.4L922 Q923 K928 E929 M930 H1034L922-H926 VanDerWaalsContact CD1-NE2 3.35Å; L922-H926 WeakPolarHBondContact CD1-NE2 3.49Å; L922-H926 PolarHBondContact O-N 3.16Å; Q923-H926 PolarHBondContact O-N 2.71Å; H926-K928 VanDerWaalsContact C-N 3.33Å; H926-K928 PolarHBondContact O-N 2.88Å; H926-E929 IonicContact CD2-OE2 2.67Å; H926-E929 PolarHBondContact O-N 3.14Å; H926-M930 PolarHBondContact O-N 3.12Å; H926-H1034 HydrophobicContact CB-CB 4.44Å; H926-H1034 AromaticContact CD2-CD2 3.2Å; H926-H1034 PolarHBondContact CD2-CD2 2.95Å; H926-H1034 AromaticContact CD2-CG 3.91Å; H926-H1034 AromaticContact CD2-NE2 3.35Å; H926-H1034 PolarHBondContact CD2-NE2 2.75Å; H926-H1034 AromaticContact CE1-CD2 3.72Å; H926-H1034 PolarHBondContact CE1-O 2.87Å; H926-H1034 AromaticContact CG-CD2 3.33Å; H926-H1034 AromaticContact CG-CE1 3.91Å; H926-H1034 AromaticContact CG-CG 3.55Å; H926-H1034 AromaticContact CG-ND1 3.91Å; H926-H1034 AromaticContact CG-NE2 3.57Å; H926-H1034 AromaticContact ND1-CD2 3.65Å; H926-H1034 AromaticContact ND1-CG 3.65Å; H926-H1034 AromaticContact NE2-CD2 3.48Å; H926-H1034 PolarHBondContact NE2-CD2 3.4Å; H926-H1034 PolarHBondContact O-CE1 2.85Å; H926-H1034 VanDerWaalsContact O-CE1 3.32Å
927Y87.7Confident90.8Very high127 Ų12778.7 Ų78.750%0.49835%0.354SS..Hα-helixtrans-58.7-41.6174.5179.9-89.2000112.7Q923 K925 K931 F1212Q923-Y927 PolarHBondContact O-N 2.95Å; K925-Y927 VanDerWaalsContact C-N 3.33Å; K925-Y927 PolarHBondContact O-N 2.76Å; Y927-K931 HydrophobicContact CE1-CD 4.1Å; Y927-K931 WeakPolarHBondContact O-CB 3.47Å; Y927-K931 PolarHBondContact O-N 3.45Å; Y927-F1212 HydrophobicContact CD2-CE2 4.14Å; Y927-F1212 AromaticContact CD2-CZ 3.91Å; Y927-F1212 HydrophobicContact CD2-CZ 3.91Å; Y927-F1212 HydrophobicContact CE1-CZ 4.41Å; Y927-F1212 HydrophobicContact CE2-CE1 4.25Å; Y927-F1212 AromaticContact CE2-CE2 3.84Å; Y927-F1212 HydrophobicContact CE2-CE2 3.84Å; Y927-F1212 AromaticContact CE2-CZ 3.33Å; Y927-F1212 HydrophobicContact CE2-CZ 3.33Å; Y927-F1212 AromaticContact CZ-CZ 3.61Å
928K91Very high90.7Very high138 Ų13873.9 Ų73.960%0.634%0.335SS*.Hα-helixtrans-64.9-45.6175.6-174.5-177.5176.1-173.10111.5K924 K925 H926 M930 K931 D932K924-K928 PolarHBondContact O-N 3.42Å; K925-K928 WeakPolarHBondContact O-CB 3.33Å; K925-K928 PolarHBondContact O-N 3.22Å; K925-K928 VanDerWaalsContact O-N 3.09Å; H926-K928 VanDerWaalsContact C-N 3.33Å; H926-K928 PolarHBondContact O-N 2.88Å; K928-M930 PolarHBondContact O-N 3.42Å; K928-K931 PolarHBondContact O-N 3.04Å; K928-D932 VanDerWaalsContact CE-OD2 3.3Å; K928-D932 WeakPolarHBondContact CE-OD2 3.42Å; K928-D932 WeakPolarHBondContact CG-OD2 3.35Å; K928-D932 PolarHBondContact O-N 3.22Å
929E92.1Very high90.8Very high65 Ų6577.7 Ų77.730%0.30434%0.344SS..Hα-helixtrans-60.2-43.4179.5-71.1171.4164.100112.2K925 H926 D932 L933 H1034K925-E929 WeakPolarHBondContact CE-OE1 3.46Å; K925-E929 IonicContact NZ-OE1 3.06Å; K925-E929 PolarHBondContact O-N 3.3Å; H926-E929 IonicContact CD2-OE2 2.67Å; H926-E929 PolarHBondContact O-N 3.14Å; E929-D932 PolarHBondContact O-N 2.81Å; E929-L933 WeakPolarHBondContact O-CB 3.32Å; E929-L933 PolarHBondContact O-N 3.02Å; E929-H1034 IonicContact OE2-CD2 3.37Å; E929-H1034 IonicContact OE2-CE1 3.22Å; E929-H1034 IonicContact OE2-NE2 4Å; E929-H1034 PolarHBondContact OE2-NE2 2.78Å
930M92.4Very high90.7Very high13 Ų1381.5 Ų81.56%0.06436%0.361CS..Hα-helixtrans-62.2-46.9172.8-70.9-56-59.700111.7H926 K928 D932 L933 V934 E1027 Q1030 K1031 F1212H926-M930 PolarHBondContact O-N 3.12Å; K928-M930 PolarHBondContact O-N 3.42Å; M930-D932 VanDerWaalsContact C-N 3.28Å; M930-D932 PolarHBondContact O-N 3.23Å; M930-L933 WeakPolarHBondContact O-CB 3.35Å; M930-L933 PolarHBondContact O-N 2.95Å; M930-L933 VanDerWaalsContact O-N 3.14Å; M930-V934 WeakPolarHBondContact O-CG2 3.33Å; M930-V934 PolarHBondContact O-N 2.94Å; M930-E1027 HydrophobicContact CE-CB 3.95Å; M930-E1027 HydrophobicContact CE-CG 3.96Å; M930-Q1030 HydrophobicContact SD-CB 3.79Å; M930-Q1030 HydrophobicContact SD-CG 3.51Å; M930-Q1030 VanDerWaalsContact SD-CG 3.51Å; M930-K1031 HydrophobicContact CE-CG 4.03Å; M930-K1031 HydrophobicContact SD-CG 4.22Å; M930-F1212 HydrophobicContact CB-CE2 4.49Å
931K90.9Very high90.5Very high93 Ų9379.7 Ų79.740%0.40435%0.35SS..Hα-helixtrans-60.5-36.7179.4-172167.8-173166.10112.6Y927 K928 K935 F1212Y927-K931 HydrophobicContact CE1-CD 4.1Å; Y927-K931 WeakPolarHBondContact O-CB 3.47Å; Y927-K931 PolarHBondContact O-N 3.45Å; K928-K931 PolarHBondContact O-N 3.04Å; K931-K935 VanDerWaalsContact O-CG 3.26Å; K931-K935 WeakPolarHBondContact O-CG 3.22Å; K931-K935 PolarHBondContact O-N 2.98Å; K931-F1212 HydrophobicContact CB-CE1 4.45Å; K931-F1212 HydrophobicContact CB-CZ 4.35Å; K931-F1212 HydrophobicContact CG-CE1 4.49Å
932D90.2Very high90.4Very high54 Ų5474.3 Ų74.329%0.28933%0.331SS..Hα-helixtrans-84.4-18.6178.1-66.1-25.8000113K928 E929 M930 K935 R936K928-D932 VanDerWaalsContact CE-OD2 3.3Å; K928-D932 WeakPolarHBondContact CE-OD2 3.42Å; K928-D932 WeakPolarHBondContact CG-OD2 3.35Å; K928-D932 PolarHBondContact O-N 3.22Å; E929-D932 PolarHBondContact O-N 2.81Å; M930-D932 VanDerWaalsContact C-N 3.28Å; M930-D932 PolarHBondContact O-N 3.23Å; D932-K935 IonicContact OD1-NZ 2.62Å; D932-K935 PolarHBondContact OD1-NZ 2.59Å; D932-R936 WeakPolarHBondContact O-CG 2.96Å; D932-R936 PolarHBondContact O-NE 3.24Å; D932-R936 VanDerWaalsContact O-NE 3.13Å
933L91.3Very high90.4Very high12 Ų1275.7 Ų75.76%0.06334%0.338CS..Hα-helixtrans-71.1-53.2165179.762.6000111.3E929 M930 K935 R936 H937 E1027 Q1030E929-L933 WeakPolarHBondContact O-CB 3.32Å; E929-L933 PolarHBondContact O-N 3.02Å; M930-L933 WeakPolarHBondContact O-CB 3.35Å; M930-L933 PolarHBondContact O-N 2.95Å; M930-L933 VanDerWaalsContact O-N 3.14Å; L933-K935 VanDerWaalsContact C-N 3.32Å; L933-K935 PolarHBondContact O-N 3.18Å; L933-R936 WeakPolarHBondContact O-CB 3.37Å; L933-R936 PolarHBondContact O-N 2.7Å; L933-H937 PolarHBondContact O-CD2 3.04Å; L933-H937 PolarHBondContact O-N 2.85Å; L933-E1027 HydrophobicContact CD2-CG 4.08Å; L933-Q1030 HydrophobicContact CD2-CB 3.9Å; L933-Q1030 HydrophobicContact CD2-CG 4.19Å
934V87.3Confident90.4Very high14 Ų1472.7 Ų72.79%0.08533%0.325CS..Hα-helixtrans-54.5-46.6179.4173.60000111M930 R936 H937 H938M930-V934 WeakPolarHBondContact O-CG2 3.33Å; M930-V934 PolarHBondContact O-N 2.94Å; V934-R936 VanDerWaalsContact C-N 3.28Å; V934-R936 PolarHBondContact O-N 3.4Å; V934-H937 PolarHBondContact O-N 3.11Å; V934-H938 WeakPolarHBondContact O-CB 3.39Å; V934-H938 PolarHBondContact O-N 3.38Å
935K89.4Confident90.2Very high113 Ų11367.4 Ų67.449%0.49130%0.303SS..Hα-helixtrans-54.9-39.1175.1-75.9172.2-167.8165.80113.7K931 D932 L933 K939K931-K935 VanDerWaalsContact O-CG 3.26Å; K931-K935 WeakPolarHBondContact O-CG 3.22Å; K931-K935 PolarHBondContact O-N 2.98Å; D932-K935 IonicContact OD1-NZ 2.62Å; D932-K935 PolarHBondContact OD1-NZ 2.59Å; L933-K935 VanDerWaalsContact C-N 3.32Å; L933-K935 PolarHBondContact O-N 3.18Å; K935-K939 WeakPolarHBondContact O-CB 3.45Å; K935-K939 PolarHBondContact O-N 2.67Å
936R89.1Confident90.1Very high158 Ų15867.2 Ų67.260%0.59630%0.303SS*.Hα-helixtrans-68.7-43.4-178.5-76.2-179.4-68.2164.34.2111.3D932 L933 V934 K940D932-R936 WeakPolarHBondContact O-CG 2.96Å; D932-R936 PolarHBondContact O-NE 3.24Å; D932-R936 VanDerWaalsContact O-NE 3.13Å; L933-R936 WeakPolarHBondContact O-CB 3.37Å; L933-R936 PolarHBondContact O-N 2.7Å; V934-R936 VanDerWaalsContact C-N 3.28Å; V934-R936 PolarHBondContact O-N 3.4Å; R936-K940 PolarHBondContact O-N 3.48Å; R936-K940 VanDerWaalsContact O-N 3.14Å
937H91Very high89.9Confident10 Ų1071 Ų715%0.04632%0.32CS..Hα-helixtrans-70.2-42.6175.1-71.8-91.3000112.1L933 V934 K939 K940 T941 E1022 Q1023L933-H937 PolarHBondContact O-CD2 3.04Å; L933-H937 PolarHBondContact O-N 2.85Å; V934-H937 PolarHBondContact O-N 3.11Å; H937-K939 VanDerWaalsContact C-N 3.3Å; H937-K939 PolarHBondContact O-N 2.98Å; H937-K940 WeakPolarHBondContact O-CB 3.46Å; H937-K940 PolarHBondContact O-N 2.79Å; H937-K940 VanDerWaalsContact O-N 3.13Å; H937-T941 PolarHBondContact O-N 2.72Å; H937-T941 PolarHBondContact O-OG1 3.13Å; H937-E1022 IonicContact CE1-OE1 2.74Å; H937-E1022 PolarHBondContact CE1-OE1 3.14Å; H937-E1022 IonicContact ND1-OE1 3.69Å; H937-Q1023 HydrophobicContact CB-CB 3.84Å; H937-Q1023 HydrophobicContact CB-CG 3.68Å; H937-Q1023 WeakPolarHBondContact ND1-CA 3.31Å
938H88.1Confident89.9Confident84 Ų8465.2 Ų65.239%0.38930%0.298SS..Hα-helixtrans-56.4-44.6174.4-177.483.4000111.3V934 K940 T941 T942V934-H938 WeakPolarHBondContact O-CB 3.39Å; V934-H938 PolarHBondContact O-N 3.38Å; H938-K940 PolarHBondContact O-N 2.86Å; H938-T941 WeakPolarHBondContact O-CB 3.48Å; H938-T941 PolarHBondContact O-N 3.05Å; H938-T941 VanDerWaalsContact O-N 3.15Å; H938-T942 PolarHBondContact O-N 3.44Å; H938-T942 PolarHBondContact O-OG1 2.97Å
939K89.9Confident89.8Confident134 Ų13461 Ų6158%0.58328%0.283SS*.Hα-helixtrans-59.1-48.2174-177.2179.4174.8-174.40112.5K935 H937 T941 T942 D943K935-K939 WeakPolarHBondContact O-CB 3.45Å; K935-K939 PolarHBondContact O-N 2.67Å; H937-K939 VanDerWaalsContact C-N 3.3Å; H937-K939 PolarHBondContact O-N 2.98Å; K939-T941 PolarHBondContact O-N 2.68Å; K939-T942 PolarHBondContact O-N 3.27Å; K939-D943 WeakPolarHBondContact CE-OD2 3.32Å; K939-D943 WeakPolarHBondContact CG-OD2 2.9Å; K939-D943 WeakPolarHBondContact O-CB 3.37Å; K939-D943 PolarHBondContact O-N 3.4Å
940K90.9Very high89.6Confident94 Ų9461.3 Ų61.341%0.40929%0.29SS..Hα-helixtrans-52.2-44.9175-72.5-176.6172.5-171.30110.7R936 H937 H938 D943 L944 L1019 E1022R936-K940 PolarHBondContact O-N 3.48Å; R936-K940 VanDerWaalsContact O-N 3.14Å; H937-K940 WeakPolarHBondContact O-CB 3.46Å; H937-K940 PolarHBondContact O-N 2.79Å; H937-K940 VanDerWaalsContact O-N 3.13Å; H938-K940 PolarHBondContact O-N 2.86Å; K940-D943 PolarHBondContact O-N 2.88Å; K940-L944 WeakPolarHBondContact O-CB 3.35Å; K940-L944 PolarHBondContact O-N 3.45Å; K940-L1019 HydrophobicContact CB-CD1 3.84Å; K940-L1019 HydrophobicContact CB-CD2 3.94Å; K940-L1019 HydrophobicContact CB-CG 4.45Å; K940-L1019 HydrophobicContact CD-CD1 3.54Å; K940-L1019 HydrophobicContact CG-CD1 4.37Å; K940-E1022 IonicContact NZ-OE1 2.7Å; K940-E1022 PolarHBondContact NZ-OE1 2.98Å; K940-E1022 IonicContact NZ-OE2 3.78Å; K940-E1022 PolarHBondContact NZ-OE2 3.01Å
941T88.8Confident89.4Confident8 Ų864.1 Ų64.15%0.04930%0.302CS..Hα-helixtrans-64.6-48.6179.9-62.70000112.1H937 H938 K939 D943 L944 I945 L1016H937-T941 PolarHBondContact O-N 2.72Å; H937-T941 PolarHBondContact O-OG1 3.13Å; H938-T941 WeakPolarHBondContact O-CB 3.48Å; H938-T941 PolarHBondContact O-N 3.05Å; H938-T941 VanDerWaalsContact O-N 3.15Å; K939-T941 PolarHBondContact O-N 2.68Å; T941-D943 VanDerWaalsContact C-N 3.3Å; T941-D943 PolarHBondContact O-N 2.7Å; T941-L944 PolarHBondContact O-N 3.4Å; T941-I945 HydrophobicContact CG2-CD1 3.78Å; T941-I945 WeakPolarHBondContact O-CD1 3.24Å; T941-I945 VanDerWaalsContact O-CG1 3.3Å; T941-I945 WeakPolarHBondContact O-CG1 3.42Å; T941-I945 PolarHBondContact O-N 3.47Å; T941-L1016 HydrophobicContact CG2-CD1 3.65Å
942T88.4Confident89.3Confident49 Ų4961.6 Ų61.630%0.30129%0.29SS..Hα-helixtrans-59.3-41.1177.1-440000111.9H938 K939 I945 K946H938-T942 PolarHBondContact O-N 3.44Å; H938-T942 PolarHBondContact O-OG1 2.97Å; K939-T942 PolarHBondContact O-N 3.27Å; T942-I945 PolarHBondContact O-N 3.14Å; T942-K946 WeakPolarHBondContact O-CG 3.46Å; T942-K946 PolarHBondContact O-N 3.13Å; T942-K946 VanDerWaalsContact O-N 3.13Å
943D90.4Very high89.1Confident63 Ų6362.3 Ų62.334%0.33729%0.294SS..Hα-helixtrans-73.7-34.8-177.4-67.3-20.8000111.8K939 K940 T941 K946 E947K939-D943 WeakPolarHBondContact CE-OD2 3.32Å; K939-D943 WeakPolarHBondContact CG-OD2 2.9Å; K939-D943 WeakPolarHBondContact O-CB 3.37Å; K939-D943 PolarHBondContact O-N 3.4Å; K940-D943 PolarHBondContact O-N 2.88Å; T941-D943 VanDerWaalsContact C-N 3.3Å; T941-D943 PolarHBondContact O-N 2.7Å; D943-K946 PolarHBondContact O-N 3.36Å; D943-K946 IonicContact OD1-NZ 3.19Å; D943-K946 PolarHBondContact OD1-NZ 3.43Å; D943-E947 PolarHBondContact O-N 3.32Å
944L90.8Very high89Confident22 Ų2267.4 Ų67.412%0.11532%0.317CS..Hα-helixtrans-62.9-41.7169.7179.166.2000112.5K940 T941 K946 E947 H948 Q1015 L1019K940-L944 WeakPolarHBondContact O-CB 3.35Å; K940-L944 PolarHBondContact O-N 3.45Å; T941-L944 PolarHBondContact O-N 3.4Å; L944-K946 VanDerWaalsContact C-N 3.32Å; L944-K946 PolarHBondContact O-N 3.23Å; L944-E947 WeakPolarHBondContact O-CB 3.34Å; L944-E947 PolarHBondContact O-N 2.93Å; L944-H948 PolarHBondContact O-CD2 3.25Å; L944-H948 PolarHBondContact O-N 3.28Å; L944-H948 VanDerWaalsContact O-N 3.08Å; L944-Q1015 HydrophobicContact CD1-CB 4.4Å; L944-Q1015 HydrophobicContact CD2-CB 4.04Å; L944-L1019 HydrophobicContact CD2-CD2 3.94Å
945I88.4Confident89Confident40 Ų4068.9 Ų68.921%0.20532%0.324CS..Hα-helixtrans-64.9-36.7178-68.7161000111.2T941 T942 T949 F1164T941-I945 HydrophobicContact CG2-CD1 3.78Å; T941-I945 WeakPolarHBondContact O-CD1 3.24Å; T941-I945 VanDerWaalsContact O-CG1 3.3Å; T941-I945 WeakPolarHBondContact O-CG1 3.42Å; T941-I945 PolarHBondContact O-N 3.47Å; T942-I945 PolarHBondContact O-N 3.14Å; I945-T949 WeakPolarHBondContact O-CB 3.14Å; I945-T949 PolarHBondContact O-N 3.46Å; I945-T949 PolarHBondContact O-OG1 2.87Å; I945-F1164 HydrophobicContact CD1-CE1 3.99Å; I945-F1164 HydrophobicContact CD1-CZ 3.82Å; I945-F1164 HydrophobicContact CG1-CE1 4.37Å
946K89.3Confident88.9Confident113 Ų11365.5 Ų65.549%0.49131%0.311SS..Hα-helixtrans-64.6-46.5171.6-68.4167.6-167151.50111.5T942 D943 L944 H948 T949 T950T942-K946 WeakPolarHBondContact O-CG 3.46Å; T942-K946 PolarHBondContact O-N 3.13Å; T942-K946 VanDerWaalsContact O-N 3.13Å; D943-K946 PolarHBondContact O-N 3.36Å; D943-K946 IonicContact OD1-NZ 3.19Å; D943-K946 PolarHBondContact OD1-NZ 3.43Å; L944-K946 VanDerWaalsContact C-N 3.32Å; L944-K946 PolarHBondContact O-N 3.23Å; K946-H948 PolarHBondContact O-N 3.03Å; K946-T949 WeakPolarHBondContact O-CB 3.33Å; K946-T949 PolarHBondContact O-N 3.33Å; K946-T949 VanDerWaalsContact O-N 3.11Å; K946-T950 PolarHBondContact O-N 3.2Å; K946-T950 PolarHBondContact O-OG1 3.36Å
947E89.9Confident88.8Confident88 Ų8862.6 Ų62.641%0.41131%0.307SS..Hα-helixtrans-56.7-46.9179.9-168.4-165.8140.900112.1D943 L944 T950 K951D943-E947 PolarHBondContact O-N 3.32Å; L944-E947 WeakPolarHBondContact O-CB 3.34Å; L944-E947 PolarHBondContact O-N 2.93Å; E947-T950 PolarHBondContact O-N 3.21Å; E947-K951 WeakPolarHBondContact O-CG 3.13Å; E947-K951 PolarHBondContact O-N 2.58Å; E947-K951 VanDerWaalsContact O-N 3.07Å; E947-K951 IonicContact OE1-NZ 3.8Å; E947-K951 PolarHBondContact OE1-NZ 3.25Å
948H88.8Confident88.6Confident5 Ų564.9 Ų64.92%0.02332%0.319CS..Hα-helixtrans-66.4-36.1175.3-83.7-81.2000113L944 K946 K951 Y952 L1008 Q1012 Q1015L944-H948 PolarHBondContact O-CD2 3.25Å; L944-H948 PolarHBondContact O-N 3.28Å; L944-H948 VanDerWaalsContact O-N 3.08Å; K946-H948 PolarHBondContact O-N 3.03Å; H948-K951 PolarHBondContact O-N 2.74Å; H948-Y952 WeakPolarHBondContact O-CB 3.42Å; H948-Y952 PolarHBondContact O-N 3.49Å; H948-L1008 WeakPolarHBondContact ND1-CD1 3.49Å; H948-Q1012 HydrophobicContact CB-CG 4.05Å; H948-Q1015 PolarHBondContact CE1-OE1 3.25Å; H948-Q1015 PolarHBondContact NE2-OE1 3.43Å
949T87.6Confident88.6Confident48 Ų4862.8 Ų62.829%0.29431%0.308SS..Hα-helixtrans-64.8-39.7174-64.60000112I945 K946 N953I945-T949 WeakPolarHBondContact O-CB 3.14Å; I945-T949 PolarHBondContact O-N 3.46Å; I945-T949 PolarHBondContact O-OG1 2.87Å; K946-T949 WeakPolarHBondContact O-CB 3.33Å; K946-T949 PolarHBondContact O-N 3.33Å; K946-T949 VanDerWaalsContact O-N 3.11Å; T949-N953 PolarHBondContact O-N 2.69Å; T949-N953 VanDerWaalsContact O-N 3.1Å; T949-N953 PolarHBondContact O-OD1 2.98Å
950T88.9Confident88.5Confident73 Ų7360.8 Ų60.845%0.44830%0.303SS..Hα-helixtrans-62.1-47.8173.8-56.80000111K946 E947 Y952 N953 E954K946-T950 PolarHBondContact O-N 3.2Å; K946-T950 PolarHBondContact O-OG1 3.36Å; E947-T950 PolarHBondContact O-N 3.21Å; T950-Y952 PolarHBondContact O-N 3.2Å; T950-N953 WeakPolarHBondContact O-CB 3.43Å; T950-N953 PolarHBondContact O-N 2.89Å; T950-N953 VanDerWaalsContact O-N 3.14Å; T950-E954 HydrophobicContact CG2-CG 4.44Å; T950-E954 WeakPolarHBondContact O-CG 3.25Å; T950-E954 PolarHBondContact O-N 3.4Å
951K88.5Confident88.4Confident72 Ų7265.1 Ų65.131%0.31332%0.317SS..Hα-helixtrans-62.5-39179.1-73.4169.9175.7174.90113.2E947 H948 E954 I955 L1008E947-K951 WeakPolarHBondContact O-CG 3.13Å; E947-K951 PolarHBondContact O-N 2.58Å; E947-K951 VanDerWaalsContact O-N 3.07Å; E947-K951 IonicContact OE1-NZ 3.8Å; E947-K951 PolarHBondContact OE1-NZ 3.25Å; H948-K951 PolarHBondContact O-N 2.74Å; K951-E954 PolarHBondContact O-N 3.24Å; K951-I955 WeakPolarHBondContact O-CG1 3.47Å; K951-I955 PolarHBondContact O-N 2.7Å; K951-L1008 HydrophobicContact CB-CD1 4.14Å; K951-L1008 HydrophobicContact CB-CD2 4.23Å; K951-L1008 HydrophobicContact CD-CD1 4.48Å
952Y88.2Confident88.3Confident39 Ų3969.6 Ų69.615%0.15333%0.333CS..Hα-helixtrans-58.3-49.4172.3179.7-87.1000110.9H948 T950 E954 I955 Q956 L1005 K1172H948-Y952 WeakPolarHBondContact O-CB 3.42Å; H948-Y952 PolarHBondContact O-N 3.49Å; T950-Y952 PolarHBondContact O-N 3.2Å; Y952-E954 PolarHBondContact O-N 3.29Å; Y952-I955 PolarHBondContact O-N 3.12Å; Y952-Q956 WeakPolarHBondContact O-CB 3.27Å; Y952-Q956 PolarHBondContact O-N 3.09Å; Y952-L1005 HydrophobicContact CD2-CD2 3.61Å; Y952-L1005 HydrophobicContact CE2-CD1 4.11Å; Y952-L1005 HydrophobicContact CE2-CD2 3.57Å; Y952-L1005 HydrophobicContact CE2-CG 4.47Å; Y952-K1172 HydrophobicContact CE1-CD 4.19Å
953N87.1Confident88.2Confident70 Ų7070.9 Ų70.937%0.37433%0.333SS..Hα-helixtrans-64.3-38.3178.9-64.6-2.9000112T949 T950 Q956 N957T949-N953 PolarHBondContact O-N 2.69Å; T949-N953 VanDerWaalsContact O-N 3.1Å; T949-N953 PolarHBondContact O-OD1 2.98Å; T950-N953 WeakPolarHBondContact O-CB 3.43Å; T950-N953 PolarHBondContact O-N 2.89Å; T950-N953 VanDerWaalsContact O-N 3.14Å; N953-Q956 PolarHBondContact O-N 2.71Å; N953-N957 WeakPolarHBondContact O-CB 3.09Å; N953-N957 PolarHBondContact O-N 3.04Å; N953-N957 PolarHBondContact O-ND2 3.3Å
954E89.1Confident88Confident118 Ų11870 Ų7055%0.55133%0.333SS*.Hα-helixtrans-61.5-47.6175.5-74.5169.9169.900111.6T950 K951 Y952 N957 D958T950-E954 HydrophobicContact CG2-CG 4.44Å; T950-E954 WeakPolarHBondContact O-CG 3.25Å; T950-E954 PolarHBondContact O-N 3.4Å; K951-E954 PolarHBondContact O-N 3.24Å; Y952-E954 PolarHBondContact O-N 3.29Å; E954-N957 PolarHBondContact O-N 2.99Å; E954-D958 PolarHBondContact O-N 3.45Å
955I87.1Confident87.7Confident45 Ų4571.7 Ų71.723%0.23135%0.351CS..Hα-helixtrans-62.6-45.3177.7-70.5170.1000110.8K951 Y952 N957 D958 Y959 M1001 K1004 L1005 L1008K951-I955 WeakPolarHBondContact O-CG1 3.47Å; K951-I955 PolarHBondContact O-N 2.7Å; Y952-I955 PolarHBondContact O-N 3.12Å; I955-N957 VanDerWaalsContact C-N 3.35Å; I955-N957 PolarHBondContact O-N 3.26Å; I955-D958 PolarHBondContact O-N 3.28Å; I955-Y959 VanDerWaalsContact O-CB 3.3Å; I955-Y959 WeakPolarHBondContact O-CB 3.27Å; I955-Y959 PolarHBondContact O-N 3.49Å; I955-M1001 HydrophobicContact CG2-CE 4.11Å; I955-M1001 HydrophobicContact CG2-SD 3.5Å; I955-M1001 VanDerWaalsContact CG2-SD 3.5Å; I955-K1004 HydrophobicContact CG2-CB 4.43Å; I955-L1005 HydrophobicContact CG2-CD2 4.27Å; I955-L1008 HydrophobicContact CD1-CD2 4.17Å
956Q86Confident87.3Confident43 Ų4371.8 Ų71.820%0.20135%0.352CS..Hα-helixtrans-61.5-40.3176.2-168.6178.36.900112.1Y952 N953 L960 M1001 D1176Y952-Q956 WeakPolarHBondContact O-CB 3.27Å; Y952-Q956 PolarHBondContact O-N 3.09Å; N953-Q956 PolarHBondContact O-N 2.71Å; Q956-L960 HydrophobicContact CG-CD1 4.29Å; Q956-L960 WeakPolarHBondContact O-CB 3.5Å; Q956-L960 VanDerWaalsContact O-CG 3.26Å; Q956-L960 WeakPolarHBondContact O-CG 3.27Å; Q956-L960 PolarHBondContact O-N 2.96Å; Q956-M1001 HydrophobicContact CB-CE 4.2Å; Q956-M1001 HydrophobicContact CG-CE 4.45Å; Q956-D1176 PolarHBondContact NE2-OD2 3.08Å; Q956-D1176 VanDerWaalsContact NE2-OD2 3.17Å
957N87.6Confident86.8Confident96 Ų9669.7 Ų69.751%0.51334%0.344SS..Hα-helixtrans-71.6-36.7178.4-84.5-78.4000113.6N953 E954 I955 R961N953-N957 WeakPolarHBondContact O-CB 3.09Å; N953-N957 PolarHBondContact O-N 3.04Å; N953-N957 PolarHBondContact O-ND2 3.3Å; E954-N957 PolarHBondContact O-N 2.99Å; I955-N957 VanDerWaalsContact C-N 3.35Å; I955-N957 PolarHBondContact O-N 3.26Å; N957-R961 VanDerWaalsContact O-CB 3.28Å; N957-R961 WeakPolarHBondContact O-CB 3.37Å; N957-R961 PolarHBondContact O-N 3.46Å; N957-R961 VanDerWaalsContact O-N 3.09Å
958D87Confident86.3Confident58 Ų5872.5 Ų72.531%0.3135%0.354SS..Hα-helixtrans-67.8-45.8173.4-175.928.3000110.8E954 I955 L960 R961 R962E954-D958 PolarHBondContact O-N 3.45Å; I955-D958 PolarHBondContact O-N 3.28Å; D958-L960 PolarHBondContact O-N 3.46Å; D958-R961 WeakPolarHBondContact O-CB 3.28Å; D958-R961 PolarHBondContact O-N 2.9Å; D958-R961 VanDerWaalsContact O-N 3.15Å; D958-R962 VanDerWaalsContact CG-NE 3.27Å; D958-R962 WeakPolarHBondContact O-CG 3.34Å; D958-R962 PolarHBondContact O-N 2.9Å; D958-R962 IonicContact OD1-CZ 3.94Å; D958-R962 IonicContact OD1-NE 3.38Å; D958-R962 PolarHBondContact OD1-NE 2.6Å; D958-R962 IonicContact OD1-NH2 3.15Å; D958-R962 IonicContact OD2-CZ 3.57Å; D958-R962 IonicContact OD2-NE 2.86Å; D958-R962 PolarHBondContact OD2-NE 2.97Å; D958-R962 IonicContact OD2-NH2 3.91Å; D958-R962 PolarHBondContact OD2-NH2 2.77Å
959Y88.8Confident85.5Confident41 Ų4174.2 Ų74.216%0.16137%0.367CS..Hα-helixtrans-55.2-52173.9165-103.5000112.5I955 R961 R962 R963 L997 D998 M1001I955-Y959 VanDerWaalsContact O-CB 3.3Å; I955-Y959 WeakPolarHBondContact O-CB 3.27Å; I955-Y959 PolarHBondContact O-N 3.49Å; Y959-R961 VanDerWaalsContact C-N 3.27Å; Y959-R961 PolarHBondContact O-N 3.18Å; Y959-R962 PolarHBondContact O-N 2.77Å; Y959-R963 WeakPolarHBondContact O-CB 3.44Å; Y959-R963 PolarHBondContact O-N 3.3Å; Y959-R963 PolarHBondContact OH-NH1 3.36Å; Y959-L997 HydrophobicContact CD2-CD1 4.4Å; Y959-L997 HydrophobicContact CD2-CD2 4.26Å; Y959-L997 HydrophobicContact CD2-CG 3.93Å; Y959-L997 HydrophobicContact CE2-CD2 4.36Å; Y959-L997 HydrophobicContact CE2-CG 4.08Å; Y959-D998 VanDerWaalsContact CE2-OD1 3.3Å; Y959-D998 WeakPolarHBondContact CE2-OD1 3.46Å; Y959-D998 PolarHBondContact OH-OD1 2.59Å; Y959-M1001 HydrophobicContact CD1-CE 4.03Å; Y959-M1001 HydrophobicContact CD1-CG 4.12Å; Y959-M1001 HydrophobicContact CD1-SD 4.3Å; Y959-M1001 HydrophobicContact CD2-CB 3.59Å; Y959-M1001 HydrophobicContact CD2-CG 3.67Å; Y959-M1001 HydrophobicContact CD2-SD 4.24Å; Y959-M1001 HydrophobicContact CE1-CG 4.44Å; Y959-M1001 HydrophobicContact CE2-CB 3.92Å; Y959-M1001 HydrophobicContact CE2-CG 4.03Å; Y959-M1001 HydrophobicContact CG-CB 4.14Å; Y959-M1001 HydrophobicContact CG-CE 4.12Å; Y959-M1001 HydrophobicContact CG-CG 3.71Å; Y959-M1001 HydrophobicContact CG-SD 3.8Å
960L87.4Confident84.5Confident92 Ų9273.7 Ų73.748%0.48237%0.367SS..Hα-helixtrans-59.2-38.1176.9-74170.8000112.1Q956 D958 A964Q956-L960 HydrophobicContact CG-CD1 4.29Å; Q956-L960 WeakPolarHBondContact O-CB 3.5Å; Q956-L960 VanDerWaalsContact O-CG 3.26Å; Q956-L960 WeakPolarHBondContact O-CG 3.27Å; Q956-L960 PolarHBondContact O-N 2.96Å; D958-L960 PolarHBondContact O-N 3.46Å; L960-A964 WeakPolarHBondContact O-CB 3.44Å; L960-A964 PolarHBondContact O-N 3.46Å
961R88.3Confident83.5Confident185 Ų18576.6 Ų76.670%0.69837%0.374SS*.Hα-helixtrans-66-44.5176.7-174.4-172.2-59.4-177.12.4112.2N957 D958 Y959 A965N957-R961 VanDerWaalsContact O-CB 3.28Å; N957-R961 WeakPolarHBondContact O-CB 3.37Å; N957-R961 PolarHBondContact O-N 3.46Å; N957-R961 VanDerWaalsContact O-N 3.09Å; D958-R961 WeakPolarHBondContact O-CB 3.28Å; D958-R961 PolarHBondContact O-N 2.9Å; D958-R961 VanDerWaalsContact O-N 3.15Å; Y959-R961 VanDerWaalsContact C-N 3.27Å; Y959-R961 PolarHBondContact O-N 3.18Å; R961-A965 PolarHBondContact O-N 3.3Å; R961-A965 VanDerWaalsContact O-N 3.14Å
962R87.8Confident82.2Confident101 Ų10180.8 Ų80.838%0.38139%0.392SS..Hα-helixtrans-66.1-48.3177.5-69.2175-170.5-149.46.2111.3D958 Y959 A964 A965 L966 L997 E1000D958-R962 VanDerWaalsContact CG-NE 3.27Å; D958-R962 WeakPolarHBondContact O-CG 3.34Å; D958-R962 PolarHBondContact O-N 2.9Å; D958-R962 IonicContact OD1-CZ 3.94Å; D958-R962 IonicContact OD1-NE 3.38Å; D958-R962 PolarHBondContact OD1-NE 2.6Å; D958-R962 IonicContact OD1-NH2 3.15Å; D958-R962 IonicContact OD2-CZ 3.57Å; D958-R962 IonicContact OD2-NE 2.86Å; D958-R962 PolarHBondContact OD2-NE 2.97Å; D958-R962 IonicContact OD2-NH2 3.91Å; D958-R962 PolarHBondContact OD2-NH2 2.77Å; Y959-R962 PolarHBondContact O-N 2.77Å; R962-A964 PolarHBondContact O-N 3.19Å; R962-A965 WeakPolarHBondContact O-CA 3.38Å; R962-A965 WeakPolarHBondContact O-CB 3.44Å; R962-A965 PolarHBondContact O-N 2.8Å; R962-L966 PolarHBondContact O-N 2.9Å; R962-L997 HydrophobicContact CB-CD1 4.16Å; R962-L997 HydrophobicContact CB-CD2 3.75Å; R962-E1000 IonicContact NH1-OE1 3.99Å; R962-E1000 IonicContact NH1-OE2 2.77Å
963R86.3Confident80.8Confident77 Ų7783.2 Ų83.229%0.29141%0.408SS..Hα-helixtrans-57.4-47.2176.1-174.7172.3-178.91254111.5Y959 A965 L966 E967 L994 L997 D998Y959-R963 WeakPolarHBondContact O-CB 3.44Å; Y959-R963 PolarHBondContact O-N 3.3Å; Y959-R963 PolarHBondContact OH-NH1 3.36Å; R963-A965 PolarHBondContact O-N 3.25Å; R963-L966 PolarHBondContact O-N 2.9Å; R963-E967 IonicContact NE-OE1 3.19Å; R963-E967 WeakPolarHBondContact O-CG 3.26Å; R963-E967 PolarHBondContact O-N 3.31Å; R963-L994 HydrophobicContact CG-CD2 4.03Å; R963-L997 HydrophobicContact CB-CD2 4.09Å; R963-D998 IonicContact CZ-OD1 2.79Å; R963-D998 IonicContact CZ-OD2 3.7Å; R963-D998 IonicContact NH1-OD1 2.74Å; R963-D998 PolarHBondContact NH1-OD1 3.18Å; R963-D998 IonicContact NH1-OD2 2.77Å; R963-D998 PolarHBondContact NH1-OD2 3.3Å
964A85.1Confident79.5Confident43 Ų4384.1 Ų84.136%0.35542%0.42SS..Hα-helixtrans-66.6-17175.800000114.3L960 R962 K968L960-A964 WeakPolarHBondContact O-CB 3.44Å; L960-A964 PolarHBondContact O-N 3.46Å; R962-A964 PolarHBondContact O-N 3.19Å; A964-K968 VanDerWaalsContact O-CD 3.26Å; A964-K968 WeakPolarHBondContact O-CD 3.27Å; A964-K968 WeakPolarHBondContact O-CG 3.46Å
965A83.8Confident78Confident58 Ų5887.4 Ų87.448%0.47943%0.432SS..Hα-helixtrans-82.1-44.6171.200000111.7R961 R962 R963 K968 S969R961-A965 PolarHBondContact O-N 3.3Å; R961-A965 VanDerWaalsContact O-N 3.14Å; R962-A965 WeakPolarHBondContact O-CA 3.38Å; R962-A965 WeakPolarHBondContact O-CB 3.44Å; R962-A965 PolarHBondContact O-N 2.8Å; R963-A965 PolarHBondContact O-N 3.25Å; A965-K968 WeakPolarHBondContact O-CA 3.49Å; A965-K968 WeakPolarHBondContact O-CB 3.48Å; A965-K968 PolarHBondContact O-N 3.02Å; A965-K968 VanDerWaalsContact O-N 3.08Å; A965-S969 PolarHBondContact O-N 3.2Å
966L81.2Confident76.4Confident43 Ų4393.5 Ų93.523%0.22546%0.457CS..Hα-helixtrans-63.2-41.5174.4-66.6174.1000111.9R962 R963 K968 S969 A970 D993 L994 L997R962-L966 PolarHBondContact O-N 2.9Å; R963-L966 PolarHBondContact O-N 2.9Å; L966-K968 PolarHBondContact O-N 2.74Å; L966-S969 PolarHBondContact O-N 2.88Å; L966-S969 PolarHBondContact O-OG 2.84Å; L966-A970 PolarHBondContact O-N 2.77Å; L966-D993 HydrophobicContact CD1-CB 4.4Å; L966-L994 HydrophobicContact CB-CD2 3.86Å; L966-L994 HydrophobicContact CB-CG 4.32Å; L966-L994 HydrophobicContact CD1-CD2 3.91Å; L966-L994 HydrophobicContact CD1-CG 4.3Å; L966-L997 HydrophobicContact CD1-CD2 3.93Å
967E79.3Confident74.9Confident69 Ų6999.4 Ų99.432%0.32248%0.482SS..Hα-helixtrans-63.1-26.8172.8-74.3-172.7-150.800113R963 K971R963-E967 IonicContact NE-OE1 3.19Å; R963-E967 WeakPolarHBondContact O-CG 3.26Å; R963-E967 PolarHBondContact O-N 3.31Å; E967-K971 WeakPolarHBondContact O-CB 3.36Å; E967-K971 VanDerWaalsContact O-CD 3.24Å; E967-K971 WeakPolarHBondContact O-CD 3.47Å; E967-K971 WeakPolarHBondContact O-CG 3.47Å; E967-K971 PolarHBondContact O-N 2.89Å; E967-K971 IonicContact OE2-NZ 3.1Å; E967-K971 PolarHBondContact OE2-NZ 2.88Å; E967-K971 VanDerWaalsContact OE2-NZ 3.1Å
968K78.4Confident72.9Confident146 Ų146100.4 Ų100.464%0.63550%0.496SS*.Hα-helixtrans-80.4-27.2175.4-78.5171.6-172.8168.30113.1A964 A965 L966 K972A964-K968 VanDerWaalsContact O-CD 3.26Å; A964-K968 WeakPolarHBondContact O-CD 3.27Å; A964-K968 WeakPolarHBondContact O-CG 3.46Å; A965-K968 WeakPolarHBondContact O-CA 3.49Å; A965-K968 WeakPolarHBondContact O-CB 3.48Å; A965-K968 PolarHBondContact O-N 3.02Å; A965-K968 VanDerWaalsContact O-N 3.08Å; L966-K968 PolarHBondContact O-N 2.74Å; K968-K972 PolarHBondContact O-N 3.27Å
969S71.4Confident70.8Confident42 Ų42106.4 Ų106.429%0.29452%0.522SS..Hα-helixtrans-72.3-45.9169.153.50000110.8A965 L966 K971 K972 D973A965-S969 PolarHBondContact O-N 3.2Å; L966-S969 PolarHBondContact O-N 2.88Å; L966-S969 PolarHBondContact O-OG 2.84Å; S969-K971 VanDerWaalsContact C-N 3.27Å; S969-K971 PolarHBondContact O-N 2.98Å; S969-K972 WeakPolarHBondContact O-CA 3.23Å; S969-K972 WeakPolarHBondContact O-CB 3.3Å; S969-K972 PolarHBondContact O-N 2.81Å; S969-D973 PolarHBondContact O-N 2.96Å
970A67.8Low68.8Low36 Ų36110.5 Ų110.530%0.29855%0.554SS.*Hα-helixtrans-52.5-43.5173.300000112.7L966 K972 S974 I990L966-A970 PolarHBondContact O-N 2.77Å; A970-K972 VanDerWaalsContact C-N 3.26Å; A970-K972 PolarHBondContact O-N 3.07Å; A970-S974 WeakPolarHBondContact O-CB 3.46Å; A970-S974 PolarHBondContact O-N 3.36Å; A970-S974 PolarHBondContact O-OG 2.89Å; A970-I990 HydrophobicContact CB-CD1 4.36Å; A970-I990 HydrophobicContact CB-CG2 4.23Å
971K66.5Low66.4Low134 Ų134111 Ų11158%0.58357%0.566SS**Hα-helixtrans-73.4-8.6176.5-70.6163.9-171.6153.20114.3E967 S969 S974E967-K971 WeakPolarHBondContact O-CB 3.36Å; E967-K971 VanDerWaalsContact O-CD 3.24Å; E967-K971 WeakPolarHBondContact O-CD 3.47Å; E967-K971 WeakPolarHBondContact O-CG 3.47Å; E967-K971 PolarHBondContact O-N 2.89Å; E967-K971 IonicContact OE2-NZ 3.1Å; E967-K971 PolarHBondContact OE2-NZ 2.88Å; E967-K971 VanDerWaalsContact OE2-NZ 3.1Å; S969-K971 VanDerWaalsContact C-N 3.27Å; S969-K971 PolarHBondContact O-N 2.98Å; K971-S974 WeakPolarHBondContact CA-OG 3.41Å
972K63.2Low64Low160 Ų160108 Ų10870%0.69657%0.573SS**Hα-helixtrans-91.8-47.3171.2-96.9-178.5172.9-179.70112.1K968 S969 A970 K975K968-K972 PolarHBondContact O-N 3.27Å; S969-K972 WeakPolarHBondContact O-CA 3.23Å; S969-K972 WeakPolarHBondContact O-CB 3.3Å; S969-K972 PolarHBondContact O-N 2.81Å; A970-K972 VanDerWaalsContact C-N 3.26Å; A970-K972 PolarHBondContact O-N 3.07Å; K972-K975 WeakPolarHBondContact O-CB 3.45Å; K972-K975 PolarHBondContact O-N 2.9Å; K972-K975 VanDerWaalsContact O-N 3.09Å
973D58.5Low62.2Low90 Ų90108.8 Ų108.848%0.48159%0.591SS.*Hα-helixtrans-73.3-35.2-175.4-67.4-46.7000112.6S969 K975 K976S969-D973 PolarHBondContact O-N 2.96Å; D973-K975 PolarHBondContact O-N 3.04Å; D973-K976 PolarHBondContact O-N 3.33Å
974S58.7Low60.3Low90 Ų90111.7 Ų111.763%0.62961%0.612SS**THydrogen-bonded Turntrans-58.6-17.216851.60000113.9A970 K971A970-S974 WeakPolarHBondContact O-CB 3.46Å; A970-S974 PolarHBondContact O-N 3.36Å; A970-S974 PolarHBondContact O-OG 2.89Å; K971-S974 WeakPolarHBondContact CA-OG 3.41Å
975K57.2Low58.6Low187 Ų187117.6 Ų117.681%0.81363%0.632SS**THydrogen-bonded Turntrans-98.97.1177.9-144.9173.2-173.5176.40114.1K972 D973K972-K975 WeakPolarHBondContact O-CB 3.45Å; K972-K975 PolarHBondContact O-N 2.9Å; K972-K975 VanDerWaalsContact O-N 3.09Å; D973-K975 PolarHBondContact O-N 3.04Å
976K55.3Low57.1Low173 Ų173117.5 Ų117.575%0.75264%0.637SS**SBendtrans-109.9-8.6178.1-98.1-174.5172.1-175.70115.2D973 S978D973-K976 PolarHBondContact O-N 3.33Å; K976-S978 PolarHBondContact O-N 3.43Å
977K54Low55.8Low167 Ų167119.7 Ų119.773%0.72666%0.656SS**  trans-9290.6177.1-77.3-171172.4-175.70111.2
978S44Very low54.8Low116 Ų116118.9 Ų118.981%0.81166%0.658SS**  trans-14138.8172.171.20000113.9K976K976-S978 PolarHBondContact O-N 3.43Å
979E43.3Very low54.2Low184 Ų184115.5 Ų115.586%0.8665%0.65SS**SBendtrans-149.2145.8162.6-119.8169.1-145.800110
980P47.2Very low54.1Low127 Ų127115.2 Ų115.283%0.82564%0.644SS**  trans-109.3104-158.236.8-27.6000114.7
981S36.3Very low54.3Low104 Ų104119.9 Ų119.973%0.72766%0.66SS**  trans-154.6120.6162.761.20000113.7
982S39.1Very low54.8Low122 Ų122119.6 Ų119.685%0.85366%0.661SS**  trans61.6157.1170.551.30000118.4
983P49.3Very low55.6Low116 Ų116115.6 Ų115.675%0.75365%0.647SS**  trans-108.8166.5-164.220.21000116
984D47.8Very low56.6Low139 Ų139113 Ų11374%0.74363%0.633SS**  trans76.2169.1157.5-95.3-52000122.7G986D984-G986 VanDerWaalsContact C-N 3.33Å; D984-G986 PolarHBondContact O-N 3.28Å
985H48.5Very low57.7Low166 Ų166111.6 Ų111.677%0.76963%0.627SS**SBendtrans65.49.9-179.3-60.2-62.7000118.6
986G52.3Low59Low57 Ų57105.5 Ų105.559%0.58861%0.612SS**SBendtrans-92.8-5.1178.900000117.5D984D984-G986 VanDerWaalsContact C-N 3.33Å; D984-G986 PolarHBondContact O-N 3.28Å
987S53.7Low60.5Low88 Ų8897.9 Ų97.962%0.61558%0.579SS**SBendtrans-121.6-27-167.2-156.30000115.6T989S987-T989 PolarHBondContact O-N 2.88Å
988S58.6Low62Low52 Ų5292.4 Ų92.436%0.36456%0.558SS.*Hα-helixtrans-73.8-26.9-170.355.90000114.1E991 Q992S988-E991 PolarHBondContact O-N 2.82Å; S988-Q992 WeakPolarHBondContact O-CG 3.26Å; S988-Q992 PolarHBondContact O-N 2.83Å
989T66.6Low64Low76 Ų7689.7 Ų89.747%0.46654%0.542SS..Hα-helixtrans-64.8-44.6-174.8-44.90000112.1S987 E991 Q992 D993S987-T989 PolarHBondContact O-N 2.88Å; T989-E991 VanDerWaalsContact C-N 3.31Å; T989-E991 PolarHBondContact O-N 3.11Å; T989-Q992 WeakPolarHBondContact O-CB 3.05Å; T989-Q992 PolarHBondContact O-N 3.12Å; T989-Q992 VanDerWaalsContact O-N 3.15Å; T989-D993 VanDerWaalsContact O-CG 3.25Å; T989-D993 PolarHBondContact O-N 2.86Å
990I69.1Low66Low35 Ų3584.5 Ų84.518%0.17952%0.518CS..Hα-helixtrans-71.1-29.8-177.7-51.9176.6000111.3A970 L994A970-I990 HydrophobicContact CB-CD1 4.36Å; A970-I990 HydrophobicContact CB-CG2 4.23Å; I990-L994 HydrophobicContact CG2-CD1 4.39Å; I990-L994 WeakPolarHBondContact O-CB 2.93Å; I990-L994 VanDerWaalsContact O-CG 3.32Å; I990-L994 WeakPolarHBondContact O-CG 3.41Å; I990-L994 PolarHBondContact O-N 3.38Å
991E71.5Confident67.9Low135 Ų13579.5 Ų79.563%0.63148%0.484SS*.Hα-helixtrans-69.6-37.3171.8-66.2-177.415600111.6S988 T989 A995S988-E991 PolarHBondContact O-N 2.82Å; T989-E991 VanDerWaalsContact C-N 3.31Å; T989-E991 PolarHBondContact O-N 3.11Å; E991-A995 WeakPolarHBondContact O-CB 3.46Å; E991-A995 PolarHBondContact O-N 2.85Å
992Q77Confident70.2Confident127 Ų12778.4 Ų78.459%0.59347%0.473SS*.Hα-helixtrans-66.2-42.5171.9-72.7172.2-3100112S988 T989 L994 A995 A996S988-Q992 WeakPolarHBondContact O-CG 3.26Å; S988-Q992 PolarHBondContact O-N 2.83Å; T989-Q992 WeakPolarHBondContact O-CB 3.05Å; T989-Q992 PolarHBondContact O-N 3.12Å; T989-Q992 VanDerWaalsContact O-N 3.15Å; Q992-L994 PolarHBondContact O-N 2.81Å; Q992-A995 PolarHBondContact O-N 2.94Å; Q992-A996 WeakPolarHBondContact O-CB 3.4Å; Q992-A996 PolarHBondContact O-N 2.69Å
993D79.2Confident72.5Confident76 Ų7677.4 Ų77.441%0.40646%0.455SS..Hα-helixtrans-62.9-40176.6-66.6-30.3000111.8L966 T989 L997L966-D993 HydrophobicContact CD1-CB 4.4Å; T989-D993 VanDerWaalsContact O-CG 3.25Å; T989-D993 PolarHBondContact O-N 2.86Å; D993-L997 WeakPolarHBondContact O-CB 3.24Å; D993-L997 PolarHBondContact O-N 3.05Å
994L80.9Confident74.3Confident35 Ų3575.5 Ų75.518%0.18344%0.435CS..Hα-helixtrans-66.9-44.6174.6-76.6167.7000111.8R963 L966 I990 Q992 A996 L997 D998R963-L994 HydrophobicContact CG-CD2 4.03Å; L966-L994 HydrophobicContact CB-CD2 3.86Å; L966-L994 HydrophobicContact CB-CG 4.32Å; L966-L994 HydrophobicContact CD1-CD2 3.91Å; L966-L994 HydrophobicContact CD1-CG 4.3Å; I990-L994 HydrophobicContact CG2-CD1 4.39Å; I990-L994 WeakPolarHBondContact O-CB 2.93Å; I990-L994 VanDerWaalsContact O-CG 3.32Å; I990-L994 WeakPolarHBondContact O-CG 3.41Å; I990-L994 PolarHBondContact O-N 3.38Å; Q992-L994 PolarHBondContact O-N 2.81Å; L994-A996 VanDerWaalsContact C-N 3.32Å; L994-A996 PolarHBondContact O-N 2.95Å; L994-L997 PolarHBondContact O-N 3.48Å; L994-D998 PolarHBondContact O-N 2.85Å
995A81.6Confident76.1Confident62 Ų6270.5 Ų70.551%0.51241%0.408SS..Hα-helixtrans-63.9-36.6176.200000112.4E991 Q992 A999E991-A995 WeakPolarHBondContact O-CB 3.46Å; E991-A995 PolarHBondContact O-N 2.85Å; Q992-A995 PolarHBondContact O-N 2.94Å; A995-A999 WeakPolarHBondContact O-CB 3.25Å; A995-A999 PolarHBondContact O-N 3.2Å
996A84.1Confident77.9Confident59 Ų5966 Ų6649%0.48839%0.389SS..Hα-helixtrans-66.5-40.6174.200000112Q992 L994 A999 E1000Q992-A996 WeakPolarHBondContact O-CB 3.4Å; Q992-A996 PolarHBondContact O-N 2.69Å; L994-A996 VanDerWaalsContact C-N 3.32Å; L994-A996 PolarHBondContact O-N 2.95Å; A996-A999 PolarHBondContact O-N 2.75Å; A996-E1000 WeakPolarHBondContact O-CB 3.43Å; A996-E1000 PolarHBondContact O-N 2.86Å
997L86.1Confident79.6Confident12 Ų1267.5 Ų67.56%0.06338%0.383CS..Hα-helixtrans-66.5-40.1175.7-177.866.6000112.3Y959 R962 R963 L966 D993 L994 A999 E1000 M1001Y959-L997 HydrophobicContact CD2-CD1 4.4Å; Y959-L997 HydrophobicContact CD2-CD2 4.26Å; Y959-L997 HydrophobicContact CD2-CG 3.93Å; Y959-L997 HydrophobicContact CE2-CD2 4.36Å; Y959-L997 HydrophobicContact CE2-CG 4.08Å; R962-L997 HydrophobicContact CB-CD1 4.16Å; R962-L997 HydrophobicContact CB-CD2 3.75Å; R963-L997 HydrophobicContact CB-CD2 4.09Å; L966-L997 HydrophobicContact CD1-CD2 3.93Å; D993-L997 WeakPolarHBondContact O-CB 3.24Å; D993-L997 PolarHBondContact O-N 3.05Å; L994-L997 PolarHBondContact O-N 3.48Å; L997-A999 VanDerWaalsContact C-N 3.31Å; L997-A999 PolarHBondContact O-N 3.03Å; L997-E1000 PolarHBondContact O-N 3.15Å; L997-M1001 VanDerWaalsContact O-CB 3.29Å; L997-M1001 WeakPolarHBondContact O-CB 3.4Å; L997-M1001 PolarHBondContact O-N 3.06Å
998D85Confident81.2Confident53 Ų5364.3 Ų64.328%0.28336%0.359SS..Hα-helixtrans-65.8-34.7175.9-72.510.6000111Y959 R963 L994 T1002Y959-D998 VanDerWaalsContact CE2-OD1 3.3Å; Y959-D998 WeakPolarHBondContact CE2-OD1 3.46Å; Y959-D998 PolarHBondContact OH-OD1 2.59Å; R963-D998 IonicContact CZ-OD1 2.79Å; R963-D998 IonicContact CZ-OD2 3.7Å; R963-D998 IonicContact NH1-OD1 2.74Å; R963-D998 PolarHBondContact NH1-OD1 3.18Å; R963-D998 IonicContact NH1-OD2 2.77Å; R963-D998 PolarHBondContact NH1-OD2 3.3Å; L994-D998 PolarHBondContact O-N 2.85Å; D998-T1002 WeakPolarHBondContact O-CB 3.37Å; D998-T1002 PolarHBondContact O-N 2.81Å; D998-T1002 PolarHBondContact O-OG1 3.3Å
999A86.1Confident82.5Confident59 Ų5964.2 Ų64.249%0.48835%0.352SS..Hα-helixtrans-70.9-44.517200000113A995 A996 L997 M1001 T1002 Q1003A995-A999 WeakPolarHBondContact O-CB 3.25Å; A995-A999 PolarHBondContact O-N 3.2Å; A996-A999 PolarHBondContact O-N 2.75Å; L997-A999 VanDerWaalsContact C-N 3.31Å; L997-A999 PolarHBondContact O-N 3.03Å; A999-M1001 VanDerWaalsContact C-N 3.3Å; A999-M1001 PolarHBondContact O-N 2.75Å; A999-T1002 PolarHBondContact O-N 3.27Å; A999-Q1003 PolarHBondContact O-N 3.2Å
1000E87.1Confident83.4Confident75 Ų7564.3 Ų64.335%0.3535%0.35SS..Hα-helixtrans-57.1-44.2175.1-171.5-163.6165.100110.9R962 A996 L997 K1004R962-E1000 IonicContact NH1-OE1 3.99Å; R962-E1000 IonicContact NH1-OE2 2.77Å; A996-E1000 WeakPolarHBondContact O-CB 3.43Å; A996-E1000 PolarHBondContact O-N 2.86Å; L997-E1000 PolarHBondContact O-N 3.15Å; E1000-K1004 HydrophobicContact CG-CD 4.26Å; E1000-K1004 WeakPolarHBondContact O-CB 3.37Å; E1000-K1004 VanDerWaalsContact O-CG 3.31Å; E1000-K1004 WeakPolarHBondContact O-CG 3.36Å; E1000-K1004 PolarHBondContact O-N 2.85Å; E1000-K1004 VanDerWaalsContact O-N 3.07Å; E1000-K1004 WeakPolarHBondContact OE1-CE 3.45Å; E1000-K1004 IonicContact OE1-NZ 3.87Å; E1000-K1004 PolarHBondContact OE1-NZ 2.85Å
1001M86.9Confident84.4Confident21 Ų2168.4 Ų68.410%0.10337%0.366CS..Hα-helixtrans-61.8-47175.317857.6174.600111.8I955 Q956 Y959 L997 A999 Q1003 K1004 L1005I955-M1001 HydrophobicContact CG2-CE 4.11Å; I955-M1001 HydrophobicContact CG2-SD 3.5Å; I955-M1001 VanDerWaalsContact CG2-SD 3.5Å; Q956-M1001 HydrophobicContact CB-CE 4.2Å; Q956-M1001 HydrophobicContact CG-CE 4.45Å; Y959-M1001 HydrophobicContact CD1-CE 4.03Å; Y959-M1001 HydrophobicContact CD1-CG 4.12Å; Y959-M1001 HydrophobicContact CD1-SD 4.3Å; Y959-M1001 HydrophobicContact CD2-CB 3.59Å; Y959-M1001 HydrophobicContact CD2-CG 3.67Å; Y959-M1001 HydrophobicContact CD2-SD 4.24Å; Y959-M1001 HydrophobicContact CE1-CG 4.44Å; Y959-M1001 HydrophobicContact CE2-CB 3.92Å; Y959-M1001 HydrophobicContact CE2-CG 4.03Å; Y959-M1001 HydrophobicContact CG-CB 4.14Å; Y959-M1001 HydrophobicContact CG-CE 4.12Å; Y959-M1001 HydrophobicContact CG-CG 3.71Å; Y959-M1001 HydrophobicContact CG-SD 3.8Å; L997-M1001 VanDerWaalsContact O-CB 3.29Å; L997-M1001 WeakPolarHBondContact O-CB 3.4Å; L997-M1001 PolarHBondContact O-N 3.06Å; A999-M1001 VanDerWaalsContact C-N 3.3Å; A999-M1001 PolarHBondContact O-N 2.75Å; M1001-Q1003 PolarHBondContact O-N 2.91Å; M1001-K1004 PolarHBondContact O-N 2.86Å; M1001-L1005 HydrophobicContact CE-CD1 3.97Å; M1001-L1005 HydrophobicContact CE-CD2 4.31Å; M1001-L1005 HydrophobicContact CE-CG 4.18Å; M1001-L1005 WeakPolarHBondContact O-CG 3.41Å; M1001-L1005 PolarHBondContact O-N 3.36Å; M1001-L1005 VanDerWaalsContact O-N 3.09Å; M1001-L1005 HydrophobicContact SD-CG 4.38Å
1002T84.3Confident85.3Confident81 Ų8163.5 Ų63.550%0.49734%0.343SS..Hα-helixtrans-61.1-46.1179.7-58.80000111.6D998 A999 L1005 I1006D998-T1002 WeakPolarHBondContact O-CB 3.37Å; D998-T1002 PolarHBondContact O-N 2.81Å; D998-T1002 PolarHBondContact O-OG1 3.3Å; A999-T1002 PolarHBondContact O-N 3.27Å; T1002-L1005 PolarHBondContact O-N 3.05Å; T1002-I1006 HydrophobicContact CG2-CD1 4.27Å; T1002-I1006 WeakPolarHBondContact O-CG1 3.39Å; T1002-I1006 PolarHBondContact O-N 2.73Å
1003Q87.3Confident85.9Confident101 Ų10159.6 Ų59.647%0.47233%0.325SS..Hα-helixtrans-63.2-45.7177.9-17261.150.900111.7A999 M1001 L1005 I1006 D1007A999-Q1003 PolarHBondContact O-N 3.2Å; M1001-Q1003 PolarHBondContact O-N 2.91Å; Q1003-L1005 VanDerWaalsContact C-N 3.26Å; Q1003-L1005 PolarHBondContact O-N 3.06Å; Q1003-I1006 WeakPolarHBondContact O-CB 3.4Å; Q1003-I1006 PolarHBondContact O-N 3.43Å; Q1003-D1007 PolarHBondContact NE2-OD1 3.26Å; Q1003-D1007 VanDerWaalsContact O-CG 3.26Å; Q1003-D1007 PolarHBondContact O-N 3.42Å
1004K87.3Confident86.4Confident77 Ų7761 Ų6134%0.33533%0.329SS..Hα-helixtrans-59.4-33.8178.2-78.3173.2171.1178.20113.6I955 E1000 M1001 L1008I955-K1004 HydrophobicContact CG2-CB 4.43Å; E1000-K1004 HydrophobicContact CG-CD 4.26Å; E1000-K1004 WeakPolarHBondContact O-CB 3.37Å; E1000-K1004 VanDerWaalsContact O-CG 3.31Å; E1000-K1004 WeakPolarHBondContact O-CG 3.36Å; E1000-K1004 PolarHBondContact O-N 2.85Å; E1000-K1004 VanDerWaalsContact O-N 3.07Å; E1000-K1004 WeakPolarHBondContact OE1-CE 3.45Å; E1000-K1004 IonicContact OE1-NZ 3.87Å; E1000-K1004 PolarHBondContact OE1-NZ 2.85Å; M1001-K1004 PolarHBondContact O-N 2.86Å; K1004-L1008 VanDerWaalsContact O-CB 3.31Å; K1004-L1008 WeakPolarHBondContact O-CB 3.27Å; K1004-L1008 PolarHBondContact O-N 2.9Å
1005L85.7Confident86.9Confident33 Ų3362.8 Ų62.817%0.17334%0.337CS..Hα-helixtrans-71.8-35.8174.5-71-171.2000112.7Y952 I955 M1001 T1002 Q1003 K1009Y952-L1005 HydrophobicContact CD2-CD2 3.61Å; Y952-L1005 HydrophobicContact CE2-CD1 4.11Å; Y952-L1005 HydrophobicContact CE2-CD2 3.57Å; Y952-L1005 HydrophobicContact CE2-CG 4.47Å; I955-L1005 HydrophobicContact CG2-CD2 4.27Å; M1001-L1005 HydrophobicContact CE-CD1 3.97Å; M1001-L1005 HydrophobicContact CE-CD2 4.31Å; M1001-L1005 HydrophobicContact CE-CG 4.18Å; M1001-L1005 WeakPolarHBondContact O-CG 3.41Å; M1001-L1005 PolarHBondContact O-N 3.36Å; M1001-L1005 VanDerWaalsContact O-N 3.09Å; M1001-L1005 HydrophobicContact SD-CG 4.38Å; T1002-L1005 PolarHBondContact O-N 3.05Å; Q1003-L1005 VanDerWaalsContact C-N 3.26Å; Q1003-L1005 PolarHBondContact O-N 3.06Å; L1005-K1009 VanDerWaalsContact O-CB 3.24Å; L1005-K1009 WeakPolarHBondContact O-CB 3.32Å; L1005-K1009 PolarHBondContact O-N 3.01Å
1006I86.4Confident87.4Confident73 Ų7359.9 Ų59.937%0.37431%0.312SS..Hα-helixtrans-65.6-50.6173.5-65.3165.8000109.8T1002 Q1003 L1008 K1009 D1010T1002-I1006 HydrophobicContact CG2-CD1 4.27Å; T1002-I1006 WeakPolarHBondContact O-CG1 3.39Å; T1002-I1006 PolarHBondContact O-N 2.73Å; Q1003-I1006 WeakPolarHBondContact O-CB 3.4Å; Q1003-I1006 PolarHBondContact O-N 3.43Å; I1006-L1008 VanDerWaalsContact C-N 3.3Å; I1006-L1008 PolarHBondContact O-N 3.49Å; I1006-K1009 PolarHBondContact O-N 2.9Å; I1006-K1009 VanDerWaalsContact O-N 3.13Å; I1006-D1010 PolarHBondContact O-N 3.29Å
1007D86.9Confident87.7Confident87 Ų8758.3 Ų58.347%0.46530%0.296SS..Hα-helixtrans-58.3-40.9179.4-61.2-15.5000112.1Q1003 K1011Q1003-D1007 PolarHBondContact NE2-OD1 3.26Å; Q1003-D1007 VanDerWaalsContact O-CG 3.26Å; Q1003-D1007 PolarHBondContact O-N 3.42Å; D1007-K1011 WeakPolarHBondContact O-CB 3.38Å; D1007-K1011 PolarHBondContact O-N 3.44Å; D1007-K1011 VanDerWaalsContact O-N 3.15Å
1008L87.8Confident87.9Confident21 Ų2161.7 Ų61.711%0.1131%0.314CS..Hα-helixtrans-67.1-43.7176.7-17766.3000111.7H948 K951 I955 K1004 I1006 K1011 Q1012H948-L1008 WeakPolarHBondContact ND1-CD1 3.49Å; K951-L1008 HydrophobicContact CB-CD1 4.14Å; K951-L1008 HydrophobicContact CB-CD2 4.23Å; K951-L1008 HydrophobicContact CD-CD1 4.48Å; I955-L1008 HydrophobicContact CD1-CD2 4.17Å; K1004-L1008 VanDerWaalsContact O-CB 3.31Å; K1004-L1008 WeakPolarHBondContact O-CB 3.27Å; K1004-L1008 PolarHBondContact O-N 2.9Å; I1006-L1008 VanDerWaalsContact C-N 3.3Å; I1006-L1008 PolarHBondContact O-N 3.49Å; L1008-K1011 PolarHBondContact O-N 2.98Å; L1008-Q1012 WeakPolarHBondContact O-CB 3.45Å; L1008-Q1012 PolarHBondContact O-N 3.2Å
1009K85.1Confident88.2Confident50 Ų5060.1 Ų60.122%0.21731%0.305CS..Hα-helixtrans-63.5-48.2179.9177.6-149.4167.7-138.50111.6L1005 I1006 K1011 Q1012 Q1013 V1165 M1169L1005-K1009 VanDerWaalsContact O-CB 3.24Å; L1005-K1009 WeakPolarHBondContact O-CB 3.32Å; L1005-K1009 PolarHBondContact O-N 3.01Å; I1006-K1009 PolarHBondContact O-N 2.9Å; I1006-K1009 VanDerWaalsContact O-N 3.13Å; K1009-K1011 VanDerWaalsContact C-N 3.29Å; K1009-K1011 PolarHBondContact O-N 2.98Å; K1009-Q1012 WeakPolarHBondContact O-CB 3.4Å; K1009-Q1012 PolarHBondContact O-N 3.17Å; K1009-Q1012 VanDerWaalsContact O-N 3.12Å; K1009-Q1013 PolarHBondContact O-N 3.1Å; K1009-V1165 HydrophobicContact CD-CG1 4.49Å; K1009-V1165 HydrophobicContact CG-CG1 3.59Å; K1009-M1169 HydrophobicContact CB-SD 4.33Å; K1009-M1169 HydrophobicContact CD-SD 3.78Å; K1009-M1169 HydrophobicContact CG-SD 3.8Å
1010D87.3Confident88.4Confident79 Ų7958.3 Ų58.342%0.42229%0.286SS..Hα-helixtrans-67.7-34.8-178.5-68.7-4.1000110.6I1006 Q1013 Q1014I1006-D1010 PolarHBondContact O-N 3.29Å; D1010-Q1013 PolarHBondContact O-N 2.92Å; D1010-Q1014 PolarHBondContact O-N 3.26Å
1011K89.4Confident88.6Confident121 Ų12157.8 Ų57.853%0.52628%0.283SS..Hα-helixtrans-64.2-40.6169.3-172.8170-173.7166.20112.9D1007 L1008 K1009 Q1015D1007-K1011 WeakPolarHBondContact O-CB 3.38Å; D1007-K1011 PolarHBondContact O-N 3.44Å; D1007-K1011 VanDerWaalsContact O-N 3.15Å; L1008-K1011 PolarHBondContact O-N 2.98Å; K1009-K1011 VanDerWaalsContact C-N 3.29Å; K1009-K1011 PolarHBondContact O-N 2.98Å; K1011-Q1015 WeakPolarHBondContact O-CB 3.35Å; K1011-Q1015 VanDerWaalsContact O-CG 3.31Å; K1011-Q1015 WeakPolarHBondContact O-CG 3.32Å; K1011-Q1015 PolarHBondContact O-N 2.9Å
1012Q89.9Confident88.8Confident31 Ų3160.5 Ų60.515%0.14530%0.296CS..Hα-helixtrans-61.5-46.9173.7-172.2-179.83.900110.9H948 L1008 K1009 Q1015 L1016H948-Q1012 HydrophobicContact CB-CG 4.05Å; L1008-Q1012 WeakPolarHBondContact O-CB 3.45Å; L1008-Q1012 PolarHBondContact O-N 3.2Å; K1009-Q1012 WeakPolarHBondContact O-CB 3.4Å; K1009-Q1012 PolarHBondContact O-N 3.17Å; K1009-Q1012 VanDerWaalsContact O-N 3.12Å; Q1012-Q1015 PolarHBondContact O-N 3.36Å; Q1012-L1016 VanDerWaalsContact O-CB 3.26Å; Q1012-L1016 WeakPolarHBondContact O-CB 3.26Å; Q1012-L1016 PolarHBondContact O-N 2.87Å
1013Q90.1Very high89.1Confident46 Ų4657 Ų5722%0.21527%0.274CS..Hα-helixtrans-60-48.2179.5-166.5-176.2-46.300111.5K1009 D1010 L1017 I1161 V1165K1009-Q1013 PolarHBondContact O-N 3.1Å; D1010-Q1013 PolarHBondContact O-N 2.92Å; Q1013-L1017 WeakPolarHBondContact O-CB 3.49Å; Q1013-L1017 PolarHBondContact O-N 3.06Å; Q1013-I1161 HydrophobicContact CG-CG2 3.97Å; Q1013-V1165 HydrophobicContact CB-CG2 4.39Å
1014Q90.3Very high89.4Confident104 Ų10453 Ų5349%0.48626%0.255SS..Hα-helixtrans-66.7-40.6179.4-171.363.863.500112.8D1010 L1017 N1018D1010-Q1014 PolarHBondContact O-N 3.26Å; Q1014-L1017 PolarHBondContact O-N 3.5Å; Q1014-N1018 PolarHBondContact NE2-OD1 2.8Å; Q1014-N1018 VanDerWaalsContact O-CG 3.22Å; Q1014-N1018 PolarHBondContact O-N 3.07Å; Q1014-N1018 PolarHBondContact O-OD1 2.91Å
1015Q91.2Very high89.6Confident73 Ų7356.2 Ų56.234%0.34127%0.265SS..Hα-helixtrans-68.2-39.9178.5-73.2-176.2-49.400112.1L944 H948 K1011 Q1012 L1019L944-Q1015 HydrophobicContact CD1-CB 4.4Å; L944-Q1015 HydrophobicContact CD2-CB 4.04Å; H948-Q1015 PolarHBondContact CE1-OE1 3.25Å; H948-Q1015 PolarHBondContact NE2-OE1 3.43Å; K1011-Q1015 WeakPolarHBondContact O-CB 3.35Å; K1011-Q1015 VanDerWaalsContact O-CG 3.31Å; K1011-Q1015 WeakPolarHBondContact O-CG 3.32Å; K1011-Q1015 PolarHBondContact O-N 2.9Å; Q1012-Q1015 PolarHBondContact O-N 3.36Å; Q1015-L1019 WeakPolarHBondContact O-CB 3.31Å; Q1015-L1019 PolarHBondContact O-N 3.04Å; Q1015-L1019 VanDerWaalsContact O-N 3.09Å
1016L90.8Very high89.8Confident1 Ų156.4 Ų56.41%0.00527%0.27CS..Hα-helixtrans-66.2-38.7175.4-175.953.8000111.6T941 Q1012 L1019 R1020 I1161 F1164 V1165T941-L1016 HydrophobicContact CG2-CD1 3.65Å; Q1012-L1016 VanDerWaalsContact O-CB 3.26Å; Q1012-L1016 WeakPolarHBondContact O-CB 3.26Å; Q1012-L1016 PolarHBondContact O-N 2.87Å; L1016-L1019 PolarHBondContact O-N 3.09Å; L1016-R1020 HydrophobicContact CD1-CG 4.22Å; L1016-R1020 WeakPolarHBondContact O-CB 3.37Å; L1016-R1020 WeakPolarHBondContact O-CG 3.42Å; L1016-R1020 PolarHBondContact O-N 2.8Å; L1016-I1161 HydrophobicContact CB-CG2 4.19Å; L1016-I1161 HydrophobicContact CD2-CG2 4.11Å; L1016-I1161 HydrophobicContact CG-CD1 4.16Å; L1016-I1161 HydrophobicContact CG-CG1 4.27Å; L1016-I1161 HydrophobicContact CG-CG2 4.09Å; L1016-F1164 HydrophobicContact CD2-CD1 3.68Å; L1016-F1164 HydrophobicContact CD2-CE1 3.83Å; L1016-V1165 HydrophobicContact CD2-CG2 4.46Å
1017L90.8Very high90.1Very high26 Ų2653.7 Ų53.714%0.13626%0.255CS..Hα-helixtrans-61.8-51175179.960.1000111.8Q1013 Q1014 L1019 R1020 Q1021 L1157 P1158 I1161Q1013-L1017 WeakPolarHBondContact O-CB 3.49Å; Q1013-L1017 PolarHBondContact O-N 3.06Å; Q1014-L1017 PolarHBondContact O-N 3.5Å; L1017-L1019 VanDerWaalsContact C-N 3.29Å; L1017-L1019 PolarHBondContact O-N 3.28Å; L1017-R1020 PolarHBondContact O-N 3.19Å; L1017-Q1021 HydrophobicContact CD1-CG 4.32Å; L1017-Q1021 WeakPolarHBondContact O-CB 3.4Å; L1017-Q1021 VanDerWaalsContact O-CG 3.31Å; L1017-Q1021 WeakPolarHBondContact O-CG 3.35Å; L1017-Q1021 PolarHBondContact O-N 3.03Å; L1017-L1157 HydrophobicContact CD1-CD2 4.15Å; L1017-L1157 HydrophobicContact CD1-CG 4.07Å; L1017-P1158 HydrophobicContact CD1-CG 4.3Å; L1017-I1161 VanDerWaalsContact CA-CD1 3.49Å; L1017-I1161 HydrophobicContact CB-CD1 4.15Å; L1017-I1161 HydrophobicContact CD1-CD1 4.06Å
1018N90.6Very high90.4Very high84 Ų8451.1 Ų51.145%0.44924%0.24SC..Hα-helixtrans-58.5-42.1177.9-67.65.1000111.6Q1014 Q1021 E1022Q1014-N1018 PolarHBondContact NE2-OD1 2.8Å; Q1014-N1018 VanDerWaalsContact O-CG 3.22Å; Q1014-N1018 PolarHBondContact O-N 3.07Å; Q1014-N1018 PolarHBondContact O-OD1 2.91Å; N1018-Q1021 PolarHBondContact O-N 3.17Å; N1018-E1022 PolarHBondContact O-N 3.39Å
1019L91.4Very high90.6Very high19 Ų1957.5 Ų57.510%0.09926%0.264CS..Hα-helixtrans-69.7-37.2-178.2178.259.9000113.2K940 L944 Q1015 L1016 L1017 E1022 Q1023K940-L1019 HydrophobicContact CB-CD1 3.84Å; K940-L1019 HydrophobicContact CB-CD2 3.94Å; K940-L1019 HydrophobicContact CB-CG 4.45Å; K940-L1019 HydrophobicContact CD-CD1 3.54Å; K940-L1019 HydrophobicContact CG-CD1 4.37Å; L944-L1019 HydrophobicContact CD2-CD2 3.94Å; Q1015-L1019 WeakPolarHBondContact O-CB 3.31Å; Q1015-L1019 PolarHBondContact O-N 3.04Å; Q1015-L1019 VanDerWaalsContact O-N 3.09Å; L1016-L1019 PolarHBondContact O-N 3.09Å; L1017-L1019 VanDerWaalsContact C-N 3.29Å; L1017-L1019 PolarHBondContact O-N 3.28Å; L1019-E1022 WeakPolarHBondContact O-CB 3.39Å; L1019-E1022 PolarHBondContact O-N 3.07Å; L1019-Q1023 PolarHBondContact O-N 3.39Å
1020R89.8Confident91Very high22 Ų2257.9 Ų57.98%0.08327%0.266CS..Hα-helixtrans-74.7-30.9174.4-72.7-81.6-78.4177.9-9.3112.2L1016 L1017 Q1023 Y1024 L1157 E1160 I1161L1016-R1020 HydrophobicContact CD1-CG 4.22Å; L1016-R1020 WeakPolarHBondContact O-CB 3.37Å; L1016-R1020 WeakPolarHBondContact O-CG 3.42Å; L1016-R1020 PolarHBondContact O-N 2.8Å; L1017-R1020 PolarHBondContact O-N 3.19Å; R1020-Q1023 WeakPolarHBondContact O-CB 3.39Å; R1020-Q1023 PolarHBondContact O-N 3.44Å; R1020-Y1024 PolarHBondContact NH2-OH 3.21Å; R1020-Y1024 PolarHBondContact O-N 2.87Å; R1020-L1157 HydrophobicContact CB-CD1 3.7Å; R1020-L1157 HydrophobicContact CB-CD2 3.71Å; R1020-L1157 HydrophobicContact CB-CG 4.2Å; R1020-L1157 HydrophobicContact CG-CD1 4.29Å; R1020-E1160 IonicContact NH2-OE2 3.6Å; R1020-I1161 HydrophobicContact CB-CD1 3.97Å; R1020-I1161 HydrophobicContact CG-CD1 4Å
1021Q91.8Very high91.2Very high63 Ų6356.8 Ų56.829%0.29426%0.258SS..Hα-helixtrans-63.9-44.8167.7-72.3174.6-7.400111.1L1017 N1018 Q1023 Y1024 Y1025 F1154 L1157L1017-Q1021 HydrophobicContact CD1-CG 4.32Å; L1017-Q1021 WeakPolarHBondContact O-CB 3.4Å; L1017-Q1021 VanDerWaalsContact O-CG 3.31Å; L1017-Q1021 WeakPolarHBondContact O-CG 3.35Å; L1017-Q1021 PolarHBondContact O-N 3.03Å; N1018-Q1021 PolarHBondContact O-N 3.17Å; Q1021-Q1023 VanDerWaalsContact C-N 3.29Å; Q1021-Q1023 PolarHBondContact O-N 3.37Å; Q1021-Y1024 PolarHBondContact O-N 2.96Å; Q1021-Y1025 HydrophobicContact CB-CD2 4.46Å; Q1021-Y1025 HydrophobicContact CB-CE2 4.34Å; Q1021-Y1025 WeakPolarHBondContact O-CD2 3.41Å; Q1021-Y1025 PolarHBondContact O-N 3.07Å; Q1021-F1154 HydrophobicContact CB-CE1 4.25Å; Q1021-F1154 HydrophobicContact CG-CD1 4.38Å; Q1021-F1154 HydrophobicContact CG-CE1 4.21Å; Q1021-L1157 HydrophobicContact CG-CD2 3.83Å
1022E90.4Very high91.3Very high78 Ų7857.9 Ų57.936%0.36426%0.259SS..Hα-helixtrans-55.6-42.8173.2-163.8-147.5128.100111.6H937 K940 N1018 L1019 S1026H937-E1022 IonicContact CE1-OE1 2.74Å; H937-E1022 PolarHBondContact CE1-OE1 3.14Å; H937-E1022 IonicContact ND1-OE1 3.69Å; K940-E1022 IonicContact NZ-OE1 2.7Å; K940-E1022 PolarHBondContact NZ-OE1 2.98Å; K940-E1022 IonicContact NZ-OE2 3.78Å; K940-E1022 PolarHBondContact NZ-OE2 3.01Å; N1018-E1022 PolarHBondContact O-N 3.39Å; L1019-E1022 WeakPolarHBondContact O-CB 3.39Å; L1019-E1022 PolarHBondContact O-N 3.07Å; E1022-S1026 VanDerWaalsContact O-CB 3.3Å; E1022-S1026 WeakPolarHBondContact O-CB 3.4Å; E1022-S1026 PolarHBondContact O-N 3.15Å; E1022-S1026 PolarHBondContact O-OG 3.17Å
1023Q91Very high91.4Very high7 Ų759 Ų593%0.03326%0.264CS..Hα-helixtrans-58.6-55.6173.4-179.8179.8-2.800111.6H937 L1019 R1020 Q1021 Y1025 S1026 E1027H937-Q1023 HydrophobicContact CB-CB 3.84Å; H937-Q1023 HydrophobicContact CB-CG 3.68Å; H937-Q1023 WeakPolarHBondContact ND1-CA 3.31Å; L1019-Q1023 PolarHBondContact O-N 3.39Å; R1020-Q1023 WeakPolarHBondContact O-CB 3.39Å; R1020-Q1023 PolarHBondContact O-N 3.44Å; Q1021-Q1023 VanDerWaalsContact C-N 3.29Å; Q1021-Q1023 PolarHBondContact O-N 3.37Å; Q1023-Y1025 PolarHBondContact O-N 2.69Å; Q1023-S1026 PolarHBondContact O-N 3.14Å; Q1023-S1026 VanDerWaalsContact O-N 3.16Å; Q1023-E1027 HydrophobicContact CG-CG 4.41Å; Q1023-E1027 WeakPolarHBondContact CG-OE1 3.41Å; Q1023-E1027 PolarHBondContact NE2-OE1 2.71Å; Q1023-E1027 WeakPolarHBondContact O-CG 3.37Å; Q1023-E1027 PolarHBondContact O-N 3.16Å
1024Y93.1Very high91.6Very high18 Ų1857.4 Ų57.47%0.07126%0.256CS..Hα-helixtrans-64.5-36.6-176.8-72.3-6.4000112.9R1020 Q1021 K1028 Y1150 K1153 F1154 L1157R1020-Y1024 PolarHBondContact NH2-OH 3.21Å; R1020-Y1024 PolarHBondContact O-N 2.87Å; Q1021-Y1024 PolarHBondContact O-N 2.96Å; Y1024-K1028 WeakPolarHBondContact O-CB 3.28Å; Y1024-K1028 PolarHBondContact O-N 2.98Å; Y1024-Y1150 WeakPolarHBondContact O-CD1 3.29Å; Y1024-Y1150 WeakPolarHBondContact O-CE1 3.5Å; Y1024-K1153 HydrophobicContact CD2-CB 4.05Å; Y1024-K1153 HydrophobicContact CE2-CB 3.79Å; Y1024-F1154 HydrophobicContact CD2-CD1 4.32Å; Y1024-F1154 HydrophobicContact CD2-CE1 4.37Å; Y1024-L1157 HydrophobicContact CD2-CD2 3.94Å; Y1024-L1157 HydrophobicContact CE2-CB 4.13Å; Y1024-L1157 HydrophobicContact CE2-CD1 3.9Å; Y1024-L1157 HydrophobicContact CE2-CD2 3.91Å; Y1024-L1157 HydrophobicContact CE2-CG 4.2Å
1025Y91.3Very high91.7Very high144 Ų14453.6 Ų53.657%0.56524%0.239SC*.Hα-helixtrans-64.1-43.3171.8-76.5-60.6000112.2Q1021 Q1023 K1028 Y1029 F1154Q1021-Y1025 HydrophobicContact CB-CD2 4.46Å; Q1021-Y1025 HydrophobicContact CB-CE2 4.34Å; Q1021-Y1025 WeakPolarHBondContact O-CD2 3.41Å; Q1021-Y1025 PolarHBondContact O-N 3.07Å; Q1023-Y1025 PolarHBondContact O-N 2.69Å; Y1025-K1028 PolarHBondContact O-N 3.14Å; Y1025-Y1029 WeakPolarHBondContact O-CB 3.04Å; Y1025-Y1029 PolarHBondContact O-N 3.26Å; Y1025-F1154 HydrophobicContact CD1-CE2 4.15Å; Y1025-F1154 AromaticContact CD1-CZ 3.64Å; Y1025-F1154 HydrophobicContact CD1-CZ 3.64Å; Y1025-F1154 HydrophobicContact CD2-CE1 4.11Å; Y1025-F1154 AromaticContact CD2-CZ 3.86Å; Y1025-F1154 HydrophobicContact CD2-CZ 3.86Å; Y1025-F1154 HydrophobicContact CE1-CE1 4.36Å; Y1025-F1154 AromaticContact CE1-CE2 3.97Å; Y1025-F1154 HydrophobicContact CE1-CE2 3.97Å; Y1025-F1154 AromaticContact CE1-CZ 3.61Å; Y1025-F1154 HydrophobicContact CE1-CZ 3.61Å; Y1025-F1154 AromaticContact CE2-CE1 3.85Å; Y1025-F1154 HydrophobicContact CE2-CE1 3.85Å; Y1025-F1154 AromaticContact CE2-CZ 3.83Å; Y1025-F1154 HydrophobicContact CE2-CZ 3.83Å; Y1025-F1154 HydrophobicContact CG-CE1 4.46Å; Y1025-F1154 AromaticContact CG-CZ 3.75Å; Y1025-F1154 HydrophobicContact CG-CZ 3.75Å; Y1025-F1154 AromaticContact CZ-CE1 3.98Å; Y1025-F1154 AromaticContact CZ-CZ 3.7Å
1026S91.1Very high91.6Very high37 Ų3754.9 Ų54.926%0.25924%0.243SC..Hα-helixtrans-65.5-44.2-179.9-590000112E1022 Q1023 Y1029 Q1030E1022-S1026 VanDerWaalsContact O-CB 3.3Å; E1022-S1026 WeakPolarHBondContact O-CB 3.4Å; E1022-S1026 PolarHBondContact O-N 3.15Å; E1022-S1026 PolarHBondContact O-OG 3.17Å; Q1023-S1026 PolarHBondContact O-N 3.14Å; Q1023-S1026 VanDerWaalsContact O-N 3.16Å; S1026-Y1029 PolarHBondContact O-N 3.31Å; S1026-Q1030 WeakPolarHBondContact O-CB 3.16Å; S1026-Q1030 PolarHBondContact O-N 3.5Å
1027E92.1Very high91.7Very high16 Ų1658.8 Ų58.88%0.07526%0.264CS..Hα-helixtrans-66.5-42.6176.5-71.5177.6-163.300112.7M930 L933 Q1023 Y1029 Q1030 K1031 Y1150M930-E1027 HydrophobicContact CE-CB 3.95Å; M930-E1027 HydrophobicContact CE-CG 3.96Å; L933-E1027 HydrophobicContact CD2-CG 4.08Å; Q1023-E1027 HydrophobicContact CG-CG 4.41Å; Q1023-E1027 WeakPolarHBondContact CG-OE1 3.41Å; Q1023-E1027 PolarHBondContact NE2-OE1 2.71Å; Q1023-E1027 WeakPolarHBondContact O-CG 3.37Å; Q1023-E1027 PolarHBondContact O-N 3.16Å; E1027-Y1029 VanDerWaalsContact C-N 3.34Å; E1027-Y1029 PolarHBondContact O-N 3.13Å; E1027-Q1030 PolarHBondContact O-N 3.09Å; E1027-K1031 WeakPolarHBondContact O-CB 3.38Å; E1027-K1031 PolarHBondContact O-N 2.98Å; E1027-Y1150 HydrophobicContact CB-CE1 4.04Å; E1027-Y1150 WeakPolarHBondContact CB-OH 3.28Å; E1027-Y1150 PolarHBondContact OE2-OH 3.09Å
1028K92.8Very high91.7Very high33 Ų3359.2 Ų59.214%0.14327%0.266CS..Hα-helixtrans-60.3-44.6175.8-172.9-177.1-172.8178.70111.3Y1024 Y1025 R1032 E1147 Y1150Y1024-K1028 WeakPolarHBondContact O-CB 3.28Å; Y1024-K1028 PolarHBondContact O-N 2.98Å; Y1025-K1028 PolarHBondContact O-N 3.14Å; K1028-R1032 WeakPolarHBondContact O-CB 3.42Å; K1028-R1032 PolarHBondContact O-N 3.07Å; K1028-E1147 WeakPolarHBondContact CE-OE2 3.44Å; K1028-E1147 IonicContact NZ-OE1 2.78Å; K1028-E1147 PolarHBondContact NZ-OE1 2.99Å; K1028-E1147 IonicContact NZ-OE2 2.81Å; K1028-E1147 PolarHBondContact NZ-OE2 3.4Å; K1028-Y1150 HydrophobicContact CB-CD1 3.79Å; K1028-Y1150 HydrophobicContact CB-CD2 4Å; K1028-Y1150 HydrophobicContact CB-CE1 4.1Å; K1028-Y1150 HydrophobicContact CB-CE2 4.3Å; K1028-Y1150 HydrophobicContact CB-CG 3.75Å; K1028-Y1150 HydrophobicContact CD-CD2 4.5Å; K1028-Y1150 HydrophobicContact CD-CG 3.98Å; K1028-Y1150 HydrophobicContact CG-CD1 4.37Å; K1028-Y1150 HydrophobicContact CG-CD2 3.95Å; K1028-Y1150 HydrophobicContact CG-CG 3.83Å
1029Y92.8Very high91.8Very high156 Ų15655.9 Ų55.961%0.61225%0.248SC*.Hα-helixtrans-61.4-48.3175.6-179-91.8000111.4Y1025 S1026 E1027 R1032 E1033Y1025-Y1029 WeakPolarHBondContact O-CB 3.04Å; Y1025-Y1029 PolarHBondContact O-N 3.26Å; S1026-Y1029 PolarHBondContact O-N 3.31Å; E1027-Y1029 VanDerWaalsContact C-N 3.34Å; E1027-Y1029 PolarHBondContact O-N 3.13Å; Y1029-R1032 WeakPolarHBondContact O-CB 3.3Å; Y1029-R1032 PolarHBondContact O-N 3.29Å; Y1029-E1033 HydrophobicContact CE1-CG 4.32Å; Y1029-E1033 PolarHBondContact O-N 2.89Å; Y1029-E1033 VanDerWaalsContact O-N 3.09Å
1030Q92.7Very high91.9Very high57 Ų5760.1 Ų60.127%0.26627%0.267SS..Hα-helixtrans-62.2-45.9179.9-168.366.351.200111.9M930 L933 S1026 E1027 R1032 E1033 H1034M930-Q1030 HydrophobicContact SD-CB 3.79Å; M930-Q1030 HydrophobicContact SD-CG 3.51Å; M930-Q1030 VanDerWaalsContact SD-CG 3.51Å; L933-Q1030 HydrophobicContact CD2-CB 3.9Å; L933-Q1030 HydrophobicContact CD2-CG 4.19Å; S1026-Q1030 WeakPolarHBondContact O-CB 3.16Å; S1026-Q1030 PolarHBondContact O-N 3.5Å; E1027-Q1030 PolarHBondContact O-N 3.09Å; Q1030-R1032 VanDerWaalsContact C-N 3.34Å; Q1030-R1032 PolarHBondContact O-N 3.09Å; Q1030-E1033 PolarHBondContact O-N 2.94Å; Q1030-H1034 PolarHBondContact NE2-NE2 3.28Å; Q1030-H1034 WeakPolarHBondContact O-CB 3.26Å; Q1030-H1034 VanDerWaalsContact O-CG 3.23Å; Q1030-H1034 PolarHBondContact O-N 3.42Å
1031K92.4Very high92.1Very high57 Ų5761.7 Ų61.725%0.24828%0.275CS..Hα-helixtrans-59.5-40.4173.3-81179.9173176.80112.3M930 E1027 H1034 I1035 L1146 E1149 Y1150M930-K1031 HydrophobicContact CE-CG 4.03Å; M930-K1031 HydrophobicContact SD-CG 4.22Å; E1027-K1031 WeakPolarHBondContact O-CB 3.38Å; E1027-K1031 PolarHBondContact O-N 2.98Å; K1031-H1034 PolarHBondContact O-N 3.31Å; K1031-I1035 WeakPolarHBondContact O-CG1 3.46Å; K1031-I1035 PolarHBondContact O-N 3.18Å; K1031-L1146 HydrophobicContact CB-CD1 3.69Å; K1031-L1146 HydrophobicContact CB-CD2 3.98Å; K1031-L1146 HydrophobicContact CD-CD1 3.53Å; K1031-L1146 HydrophobicContact CG-CD1 4.28Å; K1031-E1149 IonicContact NZ-OE1 2.82Å; K1031-E1149 PolarHBondContact NZ-OE1 2.9Å; K1031-E1149 IonicContact NZ-OE2 2.74Å; K1031-E1149 PolarHBondContact NZ-OE2 3.31Å; K1031-Y1150 HydrophobicContact CD-CE2 3.7Å; K1031-Y1150 WeakPolarHBondContact CE-OH 3.31Å; K1031-Y1150 PolarHBondContact NZ-OH 2.97Å; K1031-Y1150 VanDerWaalsContact NZ-OH 3.09Å
1032R91.4Very high92.1Very high144 Ų14458.8 Ų58.854%0.54326%0.261SS..Hα-helixtrans-63-43.6179.5-169.2-178.8-171.6-170.74112.2K1028 Y1029 Q1030 K1036 L1146K1028-R1032 WeakPolarHBondContact O-CB 3.42Å; K1028-R1032 PolarHBondContact O-N 3.07Å; Y1029-R1032 WeakPolarHBondContact O-CB 3.3Å; Y1029-R1032 PolarHBondContact O-N 3.29Å; Q1030-R1032 VanDerWaalsContact C-N 3.34Å; Q1030-R1032 PolarHBondContact O-N 3.09Å; R1032-K1036 PolarHBondContact O-N 2.97Å; R1032-L1146 HydrophobicContact CB-CD2 3.86Å
1033E92Very high92.2Very high55 Ų5556.5 Ų56.526%0.25725%0.253SS..Hα-helixtrans-71.7-35.3174.4-73.1-66119.900111.9Y1029 Q1030 K1036 L1037Y1029-E1033 HydrophobicContact CE1-CG 4.32Å; Y1029-E1033 PolarHBondContact O-N 2.89Å; Y1029-E1033 VanDerWaalsContact O-N 3.09Å; Q1030-E1033 PolarHBondContact O-N 2.94Å; E1033-K1036 WeakPolarHBondContact O-CB 3.49Å; E1033-K1036 PolarHBondContact O-N 3.46Å; E1033-K1036 WeakPolarHBondContact OE1-CD 3.39Å; E1033-K1036 IonicContact OE1-NZ 2.85Å; E1033-K1036 PolarHBondContact OE1-NZ 2.89Å; E1033-K1036 WeakPolarHBondContact OE2-CD 3.01Å; E1033-K1036 IonicContact OE2-NZ 2.62Å; E1033-K1036 PolarHBondContact OE2-NZ 3.22Å; E1033-L1037 WeakPolarHBondContact O-CB 3.42Å; E1033-L1037 WeakPolarHBondContact O-CG 3.31Å; E1033-L1037 PolarHBondContact O-N 2.87Å
1034H94.4Very high92.2Very high11 Ų1158.8 Ų58.85%0.05127%0.266CS..Hα-helixtrans-61.2-42.6172.3-74.2171.2000112.8H926 E929 Q1030 K1031 L1037 L1038H926-H1034 HydrophobicContact CB-CB 4.44Å; H926-H1034 AromaticContact CD2-CD2 3.2Å; H926-H1034 PolarHBondContact CD2-CD2 2.95Å; H926-H1034 AromaticContact CD2-CG 3.91Å; H926-H1034 AromaticContact CD2-NE2 3.35Å; H926-H1034 PolarHBondContact CD2-NE2 2.75Å; H926-H1034 AromaticContact CE1-CD2 3.72Å; H926-H1034 PolarHBondContact CE1-O 2.87Å; H926-H1034 AromaticContact CG-CD2 3.33Å; H926-H1034 AromaticContact CG-CE1 3.91Å; H926-H1034 AromaticContact CG-CG 3.55Å; H926-H1034 AromaticContact CG-ND1 3.91Å; H926-H1034 AromaticContact CG-NE2 3.57Å; H926-H1034 AromaticContact ND1-CD2 3.65Å; H926-H1034 AromaticContact ND1-CG 3.65Å; H926-H1034 AromaticContact NE2-CD2 3.48Å; H926-H1034 PolarHBondContact NE2-CD2 3.4Å; H926-H1034 PolarHBondContact O-CE1 2.85Å; H926-H1034 VanDerWaalsContact O-CE1 3.32Å; E929-H1034 IonicContact OE2-CD2 3.37Å; E929-H1034 IonicContact OE2-CE1 3.22Å; E929-H1034 IonicContact OE2-NE2 4Å; E929-H1034 PolarHBondContact OE2-NE2 2.78Å; Q1030-H1034 PolarHBondContact NE2-NE2 3.28Å; Q1030-H1034 WeakPolarHBondContact O-CB 3.26Å; Q1030-H1034 VanDerWaalsContact O-CG 3.23Å; Q1030-H1034 PolarHBondContact O-N 3.42Å; K1031-H1034 PolarHBondContact O-N 3.31Å; H1034-L1037 PolarHBondContact O-N 3.38Å; H1034-L1038 WeakPolarHBondContact O-CB 3.3Å; H1034-L1038 VanDerWaalsContact O-CG 3.26Å; H1034-L1038 WeakPolarHBondContact O-CG 3.44Å; H1034-L1038 PolarHBondContact O-N 2.88Å
1035I91.3Very high92.2Very high25 Ų2558 Ų5813%0.12826%0.263CS..Hα-helixtrans-60.8-48.3174.2-70.2162.1000110.5K1031 L1037 L1038 I1039 L1142 L1146K1031-I1035 WeakPolarHBondContact O-CG1 3.46Å; K1031-I1035 PolarHBondContact O-N 3.18Å; I1035-L1037 VanDerWaalsContact C-N 3.34Å; I1035-L1037 PolarHBondContact O-N 3.36Å; I1035-L1038 PolarHBondContact O-N 3.44Å; I1035-I1039 HydrophobicContact CG2-CG1 4.37Å; I1035-I1039 WeakPolarHBondContact O-CG1 3.4Å; I1035-I1039 PolarHBondContact O-N 3.3Å; I1035-L1142 HydrophobicContact CD1-CB 4.16Å; I1035-L1142 HydrophobicContact CG1-CB 4.47Å; I1035-L1142 HydrophobicContact CG2-CB 3.94Å; I1035-L1142 HydrophobicContact CG2-CD1 4.16Å; I1035-L1146 HydrophobicContact CD1-CB 4.24Å; I1035-L1146 HydrophobicContact CD1-CD2 3.87Å
1036K90.1Very high92.2Very high99 Ų9951.2 Ų51.243%0.4324%0.236SC..Hα-helixtrans-57.4-44.8178172.5-167.8174.5-166.50111.9R1032 E1033 Q1040R1032-K1036 PolarHBondContact O-N 2.97Å; E1033-K1036 WeakPolarHBondContact O-CB 3.49Å; E1033-K1036 PolarHBondContact O-N 3.46Å; E1033-K1036 WeakPolarHBondContact OE1-CD 3.39Å; E1033-K1036 IonicContact OE1-NZ 2.85Å; E1033-K1036 PolarHBondContact OE1-NZ 2.89Å; E1033-K1036 WeakPolarHBondContact OE2-CD 3.01Å; E1033-K1036 IonicContact OE2-NZ 2.62Å; E1033-K1036 PolarHBondContact OE2-NZ 3.22Å; K1036-Q1040 WeakPolarHBondContact O-CB 3.06Å; K1036-Q1040 PolarHBondContact O-N 2.91Å; K1036-Q1040 VanDerWaalsContact O-N 3.1Å
1037L92.4Very high92.2Very high84 Ų8453.4 Ų53.444%0.4424%0.242SC..Hα-helixtrans-70.1-35.8177.1-71.1171.7000113E1033 H1034 I1035 K1041E1033-L1037 WeakPolarHBondContact O-CB 3.42Å; E1033-L1037 WeakPolarHBondContact O-CG 3.31Å; E1033-L1037 PolarHBondContact O-N 2.87Å; H1034-L1037 PolarHBondContact O-N 3.38Å; I1035-L1037 VanDerWaalsContact C-N 3.34Å; I1035-L1037 PolarHBondContact O-N 3.36Å; L1037-K1041 WeakPolarHBondContact O-CB 3.43Å; L1037-K1041 PolarHBondContact O-N 3.08Å
1038L91.8Very high92.2Very high35 Ų3558 Ų5818%0.18326%0.264CS..Hα-helixtrans-68.3-46.5175.7-74.9167000111.7F919 L922 Q923 H1034 I1035 Q1040 K1041 L1042F919-L1038 HydrophobicContact CD2-CD2 4.45Å; F919-L1038 HydrophobicContact CE1-CD2 4.45Å; F919-L1038 HydrophobicContact CE2-CB 4.21Å; F919-L1038 HydrophobicContact CE2-CD2 3.8Å; F919-L1038 WeakPolarHBondContact CE2-O 3.07Å; F919-L1038 HydrophobicContact CZ-CB 4.45Å; F919-L1038 HydrophobicContact CZ-CD2 3.82Å; L922-L1038 HydrophobicContact CD2-CD2 4.18Å; L922-L1038 HydrophobicContact CG-CD2 4.25Å; Q923-L1038 HydrophobicContact CB-CD2 4.38Å; H1034-L1038 WeakPolarHBondContact O-CB 3.3Å; H1034-L1038 VanDerWaalsContact O-CG 3.26Å; H1034-L1038 WeakPolarHBondContact O-CG 3.44Å; H1034-L1038 PolarHBondContact O-N 2.88Å; I1035-L1038 PolarHBondContact O-N 3.44Å; L1038-Q1040 VanDerWaalsContact C-N 3.33Å; L1038-Q1040 PolarHBondContact O-N 2.78Å; L1038-K1041 PolarHBondContact O-N 2.92Å; L1038-L1042 WeakPolarHBondContact O-CB 3.41Å; L1038-L1042 PolarHBondContact O-N 2.72Å
1039I92.5Very high92Very high13 Ų1357.3 Ų57.37%0.06726%0.263CS..Hα-helixtrans-60.9-42.7176.2-66-67000110.9I1035 L1042 T1043 I1135 E1138 K1139 L1142I1035-I1039 HydrophobicContact CG2-CG1 4.37Å; I1035-I1039 WeakPolarHBondContact O-CG1 3.4Å; I1035-I1039 PolarHBondContact O-N 3.3Å; I1039-L1042 PolarHBondContact O-N 2.93Å; I1039-T1043 WeakPolarHBondContact O-CB 3.32Å; I1039-T1043 PolarHBondContact O-N 3.34Å; I1039-T1043 PolarHBondContact O-OG1 3.41Å; I1039-I1135 HydrophobicContact CG2-CG2 4.43Å; I1039-E1138 HydrophobicContact CD1-CB 3.84Å; I1039-K1139 HydrophobicContact CD1-CB 4.45Å; I1039-K1139 HydrophobicContact CG1-CB 4.1Å; I1039-K1139 HydrophobicContact CG1-CG 4.49Å; I1039-K1139 HydrophobicContact CG2-CB 4.25Å; I1039-K1139 HydrophobicContact CG2-CD 4.45Å; I1039-L1142 HydrophobicContact CD1-CD1 4.3Å
1040Q92.8Very high92Very high108 Ų10850.4 Ų50.451%0.50524%0.236SC..Hα-helixtrans-60.2-50.7173.7-174.460.357.400111.5K1036 L1038 L1042 T1043 D1044K1036-Q1040 WeakPolarHBondContact O-CB 3.06Å; K1036-Q1040 PolarHBondContact O-N 2.91Å; K1036-Q1040 VanDerWaalsContact O-N 3.1Å; L1038-Q1040 VanDerWaalsContact C-N 3.33Å; L1038-Q1040 PolarHBondContact O-N 2.78Å; Q1040-L1042 VanDerWaalsContact C-N 3.29Å; Q1040-L1042 PolarHBondContact O-N 2.8Å; Q1040-T1043 CarbonylContact O-C 3.55Å; Q1040-T1043 WeakPolarHBondContact O-CA 3.31Å; Q1040-T1043 VanDerWaalsContact O-CB 3.31Å; Q1040-T1043 WeakPolarHBondContact O-CB 3.34Å; Q1040-T1043 PolarHBondContact O-N 2.79Å; Q1040-D1044 PolarHBondContact NE2-OD1 2.95Å; Q1040-D1044 VanDerWaalsContact O-CG 3.23Å; Q1040-D1044 PolarHBondContact O-N 2.72Å
1041K93.4Very high91.8Very high56 Ų5652.5 Ų52.524%0.24325%0.249CC..Hα-helixtrans-63.8-33.6-178.9-166.664.9-118.7156.10112.8F919 L922 L1037 L1038 T1043 D1044 V1045F919-K1041 HydrophobicContact CD2-CB 4.45Å; L922-K1041 HydrophobicContact CD2-CB 3.51Å; L922-K1041 HydrophobicContact CD2-CG 3.75Å; L1037-K1041 WeakPolarHBondContact O-CB 3.43Å; L1037-K1041 PolarHBondContact O-N 3.08Å; L1038-K1041 PolarHBondContact O-N 2.92Å; K1041-T1043 VanDerWaalsContact C-N 3.35Å; K1041-D1044 WeakPolarHBondContact CE-OD2 3.37Å; K1041-D1044 VanDerWaalsContact NZ-CB 3.34Å; K1041-D1044 IonicContact NZ-OD2 3.42Å; K1041-D1044 PolarHBondContact NZ-OD2 3.2Å; K1041-V1045 WeakPolarHBondContact O-CB 3.47Å; K1041-V1045 VanDerWaalsContact O-CG2 3.24Å; K1041-V1045 WeakPolarHBondContact O-CG2 3.27Å; K1041-V1045 PolarHBondContact O-N 2.9Å
1042L92.4Very high91.7Very high1 Ų153.6 Ų53.61%0.00526%0.258CS..Hα-helixtrans-67.7-36.7173-173.159.1000111.5I910 L913 K914 F919 L1038 I1039 Q1040 A1046 I1135I910-L1042 HydrophobicContact CG2-CD2 4.42Å; L913-L1042 HydrophobicContact CB-CD1 3.78Å; K914-L1042 HydrophobicContact CD-CD2 4.46Å; K914-L1042 VanDerWaalsContact CE-CD2 3.49Å; K914-L1042 HydrophobicContact CG-CD1 3.79Å; K914-L1042 HydrophobicContact CG-CD2 4.11Å; F919-L1042 HydrophobicContact CD2-CB 4.1Å; F919-L1042 HydrophobicContact CD2-CD1 4.35Å; F919-L1042 HydrophobicContact CE2-CB 3.8Å; F919-L1042 HydrophobicContact CE2-CD1 4.35Å; L1038-L1042 WeakPolarHBondContact O-CB 3.41Å; L1038-L1042 PolarHBondContact O-N 2.72Å; I1039-L1042 PolarHBondContact O-N 2.93Å; Q1040-L1042 VanDerWaalsContact C-N 3.29Å; Q1040-L1042 PolarHBondContact O-N 2.8Å; L1042-A1046 WeakPolarHBondContact O-CB 3.4Å; L1042-A1046 PolarHBondContact O-N 3.35Å; L1042-I1135 HydrophobicContact CB-CG2 4.43Å; L1042-I1135 HydrophobicContact CD2-CD1 4.5Å; L1042-I1135 HydrophobicContact CD2-CG1 4.05Å; L1042-I1135 HydrophobicContact CD2-CG2 4.13Å; L1042-I1135 HydrophobicContact CG-CD1 4.12Å; L1042-I1135 HydrophobicContact CG-CG1 4.21Å; L1042-I1135 HydrophobicContact CG-CG2 4.19Å
1043T92.3Very high91.5Very high31 Ų3148.1 Ų48.119%0.1924%0.239CC..Hα-helixtrans-65.4-49.5174-54.30000110.3I1039 Q1040 K1041 V1045 A1046 E1047I1039-T1043 WeakPolarHBondContact O-CB 3.32Å; I1039-T1043 PolarHBondContact O-N 3.34Å; I1039-T1043 PolarHBondContact O-OG1 3.41Å; Q1040-T1043 CarbonylContact O-C 3.55Å; Q1040-T1043 WeakPolarHBondContact O-CA 3.31Å; Q1040-T1043 VanDerWaalsContact O-CB 3.31Å; Q1040-T1043 WeakPolarHBondContact O-CB 3.34Å; Q1040-T1043 PolarHBondContact O-N 2.79Å; K1041-T1043 VanDerWaalsContact C-N 3.35Å; T1043-V1045 VanDerWaalsContact C-N 3.29Å; T1043-V1045 PolarHBondContact O-N 3.18Å; T1043-A1046 WeakPolarHBondContact O-CB 3.4Å; T1043-A1046 PolarHBondContact O-N 3.39Å; T1043-A1046 VanDerWaalsContact O-N 3.14Å; T1043-E1047 VanDerWaalsContact O-CG 3.24Å; T1043-E1047 WeakPolarHBondContact O-CG 3.33Å; T1043-E1047 PolarHBondContact O-N 3.35Å
1044D92.1Very high91.4Very high55 Ų5547.3 Ų47.329%0.29424%0.236SC..Hα-helixtrans-54.7-45.6176.3-50.6-17.9000111.6Q1040 K1041 E1047 E1048Q1040-D1044 PolarHBondContact NE2-OD1 2.95Å; Q1040-D1044 VanDerWaalsContact O-CG 3.23Å; Q1040-D1044 PolarHBondContact O-N 2.72Å; K1041-D1044 WeakPolarHBondContact CE-OD2 3.37Å; K1041-D1044 VanDerWaalsContact NZ-CB 3.34Å; K1041-D1044 IonicContact NZ-OD2 3.42Å; K1041-D1044 PolarHBondContact NZ-OD2 3.2Å; D1044-E1047 PolarHBondContact O-N 2.82Å; D1044-E1048 WeakPolarHBondContact O-CB 3.27Å; D1044-E1048 PolarHBondContact O-N 3.06Å
1045V92.6Very high91.2Very high2 Ų253 Ų531%0.01226%0.26CS..Hα-helixtrans-67.9-38.1-179.7165.40000111.2L913 Q916 S918 K1041 T1043 E1048 C1049L913-V1045 HydrophobicContact CB-CG1 4.43Å; L913-V1045 HydrophobicContact CD2-CG1 4.08Å; Q916-V1045 HydrophobicContact CB-CG1 3.82Å; Q916-V1045 HydrophobicContact CG-CG1 3.59Å; S918-V1045 WeakPolarHBondContact OG-CG2 3.43Å; K1041-V1045 WeakPolarHBondContact O-CB 3.47Å; K1041-V1045 VanDerWaalsContact O-CG2 3.24Å; K1041-V1045 WeakPolarHBondContact O-CG2 3.27Å; K1041-V1045 PolarHBondContact O-N 2.9Å; T1043-V1045 VanDerWaalsContact C-N 3.29Å; T1043-V1045 PolarHBondContact O-N 3.18Å; V1045-E1048 PolarHBondContact O-N 2.76Å; V1045-C1049 WeakPolarHBondContact O-CB 3.48Å; V1045-C1049 PolarHBondContact O-N 3.19Å; V1045-C1049 PolarHBondContact O-SG 2.97Å
1046A91.4Very high91Very high1 Ų158.2 Ų58.21%0.00828%0.282CS..Hα-helixtrans-61.1-45.6170.800000111L913 L1042 T1043 E1048 C1049 Q1050 I1135L913-A1046 HydrophobicContact CD1-CB 3.92Å; L1042-A1046 WeakPolarHBondContact O-CB 3.4Å; L1042-A1046 PolarHBondContact O-N 3.35Å; T1043-A1046 WeakPolarHBondContact O-CB 3.4Å; T1043-A1046 PolarHBondContact O-N 3.39Å; T1043-A1046 VanDerWaalsContact O-N 3.14Å; A1046-E1048 PolarHBondContact O-N 3.5Å; A1046-C1049 PolarHBondContact O-N 2.63Å; A1046-Q1050 VanDerWaalsContact O-CB 3.22Å; A1046-Q1050 WeakPolarHBondContact O-CB 3.42Å; A1046-Q1050 WeakPolarHBondContact O-CG 3.49Å; A1046-Q1050 PolarHBondContact O-N 2.92Å; A1046-I1135 HydrophobicContact CB-CD1 3.82Å
1047E91.1Very high91Very high82 Ų8253.6 Ų53.638%0.38326%0.262SS..Hα-helixtrans-60.6-46.6177.1-54.9-136.2108.600112.1T1043 D1044 Q1050 N1051 R1132T1043-E1047 VanDerWaalsContact O-CG 3.24Å; T1043-E1047 WeakPolarHBondContact O-CG 3.33Å; T1043-E1047 PolarHBondContact O-N 3.35Å; D1044-E1047 PolarHBondContact O-N 2.82Å; E1047-Q1050 PolarHBondContact O-N 2.91Å; E1047-N1051 WeakPolarHBondContact O-CB 3.16Å; E1047-N1051 VanDerWaalsContact O-CG 3.29Å; E1047-N1051 PolarHBondContact O-N 3.25Å; E1047-N1051 PolarHBondContact O-ND2 2.8Å; E1047-R1132 IonicContact OE1-CZ 2.88Å; E1047-R1132 IonicContact OE1-NH1 3.59Å; E1047-R1132 PolarHBondContact OE1-NH1 2.97Å; E1047-R1132 IonicContact OE1-NH2 2.95Å; E1047-R1132 PolarHBondContact OE1-NH2 2.75Å
1048E91.2Very high90.7Very high112 Ų11255.9 Ų55.952%0.52327%0.268SS..Hα-helixtrans-61-48.8179.3-172.7-180174.900111.5D1044 V1045 A1046 N1052D1044-E1048 WeakPolarHBondContact O-CB 3.27Å; D1044-E1048 PolarHBondContact O-N 3.06Å; V1045-E1048 PolarHBondContact O-N 2.76Å; A1046-E1048 PolarHBondContact O-N 3.5Å; E1048-N1052 WeakPolarHBondContact O-CB 3.39Å; E1048-N1052 PolarHBondContact O-N 2.74Å; E1048-N1052 PolarHBondContact O-ND2 3.22Å
1049C89.4Confident90.5Very high19 Ų1958.6 Ų58.613%0.12828%0.28CS..Hα-helixtrans-62.8-45176.7-77.80000112.3Q908 L913 V1045 A1046 N1052 Q1053Q908-C1049 VanDerWaalsContact OE1-CB 3.24Å; Q908-C1049 PolarHBondContact OE1-SG 2.57Å; L913-C1049 HydrophobicContact CD2-CB 3.74Å; V1045-C1049 WeakPolarHBondContact O-CB 3.48Å; V1045-C1049 PolarHBondContact O-N 3.19Å; V1045-C1049 PolarHBondContact O-SG 2.97Å; A1046-C1049 PolarHBondContact O-N 2.63Å; C1049-N1052 PolarHBondContact O-N 3.01Å; C1049-Q1053 WeakPolarHBondContact O-CG 3.4Å; C1049-Q1053 PolarHBondContact O-N 2.67Å
1050Q91.7Very high90.4Very high11 Ų1159.7 Ų59.75%0.05129%0.286CS..Hα-helixtrans-63.7-43-179.7-71.2173.9-1.100112.1A1046 E1047 N1052 Q1053 L1054 H1128 R1132A1046-Q1050 VanDerWaalsContact O-CB 3.22Å; A1046-Q1050 WeakPolarHBondContact O-CB 3.42Å; A1046-Q1050 WeakPolarHBondContact O-CG 3.49Å; A1046-Q1050 PolarHBondContact O-N 2.92Å; E1047-Q1050 PolarHBondContact O-N 2.91Å; Q1050-N1052 VanDerWaalsContact C-N 3.34Å; Q1050-N1052 PolarHBondContact O-N 3.33Å; Q1050-Q1053 PolarHBondContact O-N 2.8Å; Q1050-L1054 WeakPolarHBondContact O-CG 3.45Å; Q1050-L1054 PolarHBondContact O-N 3.08Å; Q1050-H1128 HydrophobicContact CG-CB 4.04Å; Q1050-H1128 PolarHBondContact NE2-O 3.04Å; Q1050-R1132 VanDerWaalsContact OE1-NH2 3.1Å
1051N90.1Very high90.1Very high102 Ų10255.2 Ų55.255%0.54527%0.266SS..Hα-helixtrans-60.8-42.1173.6-77.1-45.5000111.8E1047 L1054 K1055E1047-N1051 WeakPolarHBondContact O-CB 3.16Å; E1047-N1051 VanDerWaalsContact O-CG 3.29Å; E1047-N1051 PolarHBondContact O-N 3.25Å; E1047-N1051 PolarHBondContact O-ND2 2.8Å; N1051-L1054 PolarHBondContact O-N 3.4Å; N1051-K1055 PolarHBondContact O-N 3.01Å
1052N88.7Confident89.8Confident80 Ų8056.9 Ų56.943%0.42828%0.275SS..Hα-helixtrans-65.6-37.1175.2-79.5-50.4000112.8E1048 C1049 Q1050 K1055 K1056E1048-N1052 WeakPolarHBondContact O-CB 3.39Å; E1048-N1052 PolarHBondContact O-N 2.74Å; E1048-N1052 PolarHBondContact O-ND2 3.22Å; C1049-N1052 PolarHBondContact O-N 3.01Å; Q1050-N1052 VanDerWaalsContact C-N 3.34Å; Q1050-N1052 PolarHBondContact O-N 3.33Å; N1052-K1055 PolarHBondContact O-N 3.09Å; N1052-K1056 WeakPolarHBondContact O-CG 3.5Å; N1052-K1056 PolarHBondContact O-N 3.42Å
1053Q88.8Confident89.6Confident29 Ų2963.3 Ų63.314%0.13630%0.303CS..Hα-helixtrans-65.5-43.6172.9-71.4-165.1-42.700112E906 C1049 Q1050 K1055 K1056 L1057 H1128E906-Q1053 PolarHBondContact O-NE2 3.3Å; C1049-Q1053 WeakPolarHBondContact O-CG 3.4Å; C1049-Q1053 PolarHBondContact O-N 2.67Å; Q1050-Q1053 PolarHBondContact O-N 2.8Å; Q1053-K1055 VanDerWaalsContact C-N 3.34Å; Q1053-K1055 PolarHBondContact O-N 3.45Å; Q1053-K1056 PolarHBondContact O-N 3.13Å; Q1053-L1057 WeakPolarHBondContact O-CB 3.47Å; Q1053-L1057 PolarHBondContact O-N 3.36Å; Q1053-H1128 PolarHBondContact OE1-NE2 3.4Å
1054L89.4Confident89.3Confident38 Ų3862 Ų6220%0.19929%0.294CS..Hα-helixtrans-66.1-33.6176.5-70.4171000112.6Q1050 N1051 L1057 K1058 Q1121 L1124 V1125Q1050-L1054 WeakPolarHBondContact O-CG 3.45Å; Q1050-L1054 PolarHBondContact O-N 3.08Å; N1051-L1054 PolarHBondContact O-N 3.4Å; L1054-L1057 HydrophobicContact CD2-CD2 4.49Å; L1054-K1058 WeakPolarHBondContact O-CG 3.46Å; L1054-K1058 PolarHBondContact O-N 3.13Å; L1054-Q1121 HydrophobicContact CD2-CG 4.24Å; L1054-L1124 HydrophobicContact CD2-CD2 4.26Å; L1054-V1125 HydrophobicContact CD2-CG2 4.04Å
1055K89.1Confident89Confident130 Ų13062.4 Ų62.457%0.56529%0.294SS*.Hα-helixtrans-64.3-51.4171.7-173.2-176.4174.1-173.70111.2N1051 N1052 Q1053 L1057 K1058 E1059N1051-K1055 PolarHBondContact O-N 3.01Å; N1052-K1055 PolarHBondContact O-N 3.09Å; Q1053-K1055 VanDerWaalsContact C-N 3.34Å; Q1053-K1055 PolarHBondContact O-N 3.45Å; K1055-L1057 VanDerWaalsContact C-N 3.27Å; K1055-L1057 PolarHBondContact O-N 2.89Å; K1055-K1058 PolarHBondContact O-N 3.26Å; K1055-K1058 VanDerWaalsContact O-N 3.13Å; K1055-E1059 VanDerWaalsContact CE-OE1 3.29Å; K1055-E1059 WeakPolarHBondContact CE-OE1 3.37Å; K1055-E1059 PolarHBondContact O-N 3.03Å; K1055-E1059 VanDerWaalsContact O-N 3.14Å
1056K88.2Confident88.7Confident135 Ų13568.9 Ų68.959%0.58732%0.322SS*.Hα-helixtrans-57.7-39.1175.5-72.8175.7179.6-179.50112.1N1052 Q1053 K1058 E1059 I1060N1052-K1056 WeakPolarHBondContact O-CG 3.5Å; N1052-K1056 PolarHBondContact O-N 3.42Å; Q1053-K1056 PolarHBondContact O-N 3.13Å; K1056-K1058 PolarHBondContact O-N 2.89Å; K1056-E1059 PolarHBondContact O-N 2.77Å; K1056-I1060 WeakPolarHBondContact O-CG1 3.44Å; K1056-I1060 PolarHBondContact O-N 3.06Å
1057L88.8Confident88.5Confident1 Ų173.8 Ų73.81%0.00534%0.344CS..Hα-helixtrans-61.3-41.5176.7-171.567.4000112V905 Q1053 L1054 K1055 I1060 C1061 R1120 Q1121 L1124V905-L1057 HydrophobicContact CB-CD1 4.17Å; V905-L1057 HydrophobicContact CG2-CD1 3.85Å; Q1053-L1057 WeakPolarHBondContact O-CB 3.47Å; Q1053-L1057 PolarHBondContact O-N 3.36Å; L1054-L1057 HydrophobicContact CD2-CD2 4.49Å; K1055-L1057 VanDerWaalsContact C-N 3.27Å; K1055-L1057 PolarHBondContact O-N 2.89Å; L1057-I1060 WeakPolarHBondContact O-CB 3.16Å; L1057-I1060 PolarHBondContact O-N 3.09Å; L1057-C1061 PolarHBondContact O-N 2.88Å; L1057-C1061 PolarHBondContact O-SG 3.31Å; L1057-R1120 HydrophobicContact CD1-CG 4.48Å; L1057-Q1121 HydrophobicContact CD2-CB 3.92Å; L1057-Q1121 HydrophobicContact CD2-CG 4.03Å; L1057-L1124 HydrophobicContact CD2-CD2 3.97Å
1058K86.9Confident88.2Confident133 Ų13370 Ų7058%0.57833%0.327SS*.Hα-helixtrans-64.6-42.3175.2-70.6174.3-179.5-179.20112.2L1054 K1055 K1056 I1060 C1061 E1062L1054-K1058 WeakPolarHBondContact O-CG 3.46Å; L1054-K1058 PolarHBondContact O-N 3.13Å; K1055-K1058 PolarHBondContact O-N 3.26Å; K1055-K1058 VanDerWaalsContact O-N 3.13Å; K1056-K1058 PolarHBondContact O-N 2.89Å; K1058-I1060 VanDerWaalsContact C-N 3.29Å; K1058-I1060 PolarHBondContact O-N 3.07Å; K1058-C1061 PolarHBondContact O-N 3Å; K1058-E1062 PolarHBondContact O-N 3.01Å
1059E88.7Confident87.7Confident92 Ų9271 Ų7143%0.4333%0.329SS..Hα-helixtrans-63.4-34.4175.6-67.1170.5-159.700112.4K1055 K1056 K1063K1055-E1059 VanDerWaalsContact CE-OE1 3.29Å; K1055-E1059 WeakPolarHBondContact CE-OE1 3.37Å; K1055-E1059 PolarHBondContact O-N 3.03Å; K1055-E1059 VanDerWaalsContact O-N 3.14Å; K1056-E1059 PolarHBondContact O-N 2.77Å; E1059-K1063 WeakPolarHBondContact O-CG 3.31Å; E1059-K1063 PolarHBondContact O-N 2.93Å
1060I88.6Confident87.6Confident36 Ų3677.9 Ų77.919%0.18536%0.357CS..Hα-helixtrans-67.1-51170.7-71.5165.8000110.3V905 K1056 L1057 K1058 E1062 K1063 E1064V905-I1060 HydrophobicContact CG2-CD1 3.7Å; K1056-I1060 WeakPolarHBondContact O-CG1 3.44Å; K1056-I1060 PolarHBondContact O-N 3.06Å; L1057-I1060 WeakPolarHBondContact O-CB 3.16Å; L1057-I1060 PolarHBondContact O-N 3.09Å; K1058-I1060 VanDerWaalsContact C-N 3.29Å; K1058-I1060 PolarHBondContact O-N 3.07Å; I1060-E1062 PolarHBondContact O-N 3.17Å; I1060-E1062 VanDerWaalsContact O-N 3.17Å; I1060-K1063 WeakPolarHBondContact O-CB 3.47Å; I1060-K1063 PolarHBondContact O-N 3.42Å; I1060-E1064 HydrophobicContact CG2-CG 4.2Å; I1060-E1064 WeakPolarHBondContact CG2-OE1 3.28Å; I1060-E1064 WeakPolarHBondContact O-CG 3.47Å; I1060-E1064 PolarHBondContact O-N 2.71Å
1061C87.6Confident87.1Confident14 Ų1480.6 Ų80.610%0.09537%0.369CS..Hα-helixtrans-54.8-37.4179.2-69.50000113L1057 K1058 E1064 K1065 Q1117 R1120L1057-C1061 PolarHBondContact O-N 2.88Å; L1057-C1061 PolarHBondContact O-SG 3.31Å; K1058-C1061 PolarHBondContact O-N 3Å; C1061-E1064 PolarHBondContact O-N 3.15Å; C1061-K1065 WeakPolarHBondContact O-CG 3.45Å; C1061-K1065 PolarHBondContact O-N 3.17Å; C1061-Q1117 VanDerWaalsContact CA-NE2 3.29Å; C1061-Q1117 HydrophobicContact CB-CG 4.36Å; C1061-Q1117 PolarHBondContact O-NE2 2.64Å; C1061-R1120 PolarHBondContact SG-NH2 2.79Å
1062E86.4Confident86.7Confident91 Ų9176 Ų7643%0.42534%0.344SS..Hα-helixtrans-72.3-33.6175.9-80.2-59.9122.700113.9K1058 I1060 K1066K1058-E1062 PolarHBondContact O-N 3.01Å; I1060-E1062 PolarHBondContact O-N 3.17Å; I1060-E1062 VanDerWaalsContact O-N 3.17Å; E1062-K1066 WeakPolarHBondContact O-CD 3.19Å; E1062-K1066 VanDerWaalsContact O-CG 3.27Å; E1062-K1066 WeakPolarHBondContact O-CG 3.32Å; E1062-K1066 PolarHBondContact O-N 2.85Å
1063K88Confident86.2Confident135 Ų13575.3 Ų75.359%0.58734%0.34SS*.Hα-helixtrans-66.3-44.5170.7-72.4167.9-177.9173.70110.5E1059 I1060 K1065 K1066 E1067E1059-K1063 WeakPolarHBondContact O-CG 3.31Å; E1059-K1063 PolarHBondContact O-N 2.93Å; I1060-K1063 WeakPolarHBondContact O-CB 3.47Å; I1060-K1063 PolarHBondContact O-N 3.42Å; K1063-K1065 PolarHBondContact O-N 3.46Å; K1063-K1066 WeakPolarHBondContact O-CB 3.3Å; K1063-K1066 PolarHBondContact O-N 3.48Å; K1063-K1066 VanDerWaalsContact O-N 3.13Å; K1063-E1067 WeakPolarHBondContact O-CG 3.47Å; K1063-E1067 PolarHBondContact O-N 2.99Å
1064E87.6Confident85.9Confident4 Ų480.2 Ų80.22%0.01936%0.361CS..Hα-helixtrans-58.8-45.2177.9-69.4174.7167.200112.6V901 L902 T903 I1060 C1061 K1066 E1067 L1068 L1113 Q1117 R1120V901-E1064 HydrophobicContact CG1-CB 3.59Å; V901-E1064 HydrophobicContact CG1-CG 3.8Å; V901-E1064 WeakPolarHBondContact CG1-O 3.34Å; L902-E1064 WeakPolarHBondContact CA-OE1 3.28Å; T903-E1064 PolarHBondContact N-OE1 2.85Å; I1060-E1064 HydrophobicContact CG2-CG 4.2Å; I1060-E1064 WeakPolarHBondContact CG2-OE1 3.28Å; I1060-E1064 WeakPolarHBondContact O-CG 3.47Å; I1060-E1064 PolarHBondContact O-N 2.71Å; C1061-E1064 PolarHBondContact O-N 3.15Å; E1064-K1066 VanDerWaalsContact C-N 3.31Å; E1064-K1066 PolarHBondContact O-N 3.19Å; E1064-E1067 PolarHBondContact O-N 3.4Å; E1064-L1068 WeakPolarHBondContact O-CB 3.42Å; E1064-L1068 PolarHBondContact O-N 2.87Å; E1064-L1113 HydrophobicContact CB-CD2 4.43Å; E1064-Q1117 PolarHBondContact OE2-NE2 2.94Å; E1064-R1120 IonicContact OE1-CZ 3.06Å; E1064-R1120 IonicContact OE1-NH1 2.81Å; E1064-R1120 PolarHBondContact OE1-NH1 3.27Å; E1064-R1120 IonicContact OE1-NH2 2.74Å; E1064-R1120 PolarHBondContact OE1-NH2 3.12Å; E1064-R1120 IonicContact OE2-CZ 3.21Å; E1064-R1120 IonicContact OE2-NH1 2.74Å; E1064-R1120 PolarHBondContact OE2-NH1 3.06Å; E1064-R1120 IonicContact OE2-NH2 2.7Å; E1064-R1120 PolarHBondContact OE2-NH2 3.08Å
1065K85.6Confident85.4Confident64 Ų6482.8 Ų82.828%0.27837%0.371SS..Hα-helixtrans-60.7-39.6175-72.7-179.4-171.7-169.20112.2C1061 K1063 K1069 L1113 E1114C1061-K1065 WeakPolarHBondContact O-CG 3.45Å; C1061-K1065 PolarHBondContact O-N 3.17Å; K1063-K1065 PolarHBondContact O-N 3.46Å; K1065-K1069 WeakPolarHBondContact O-CB 3.26Å; K1065-K1069 PolarHBondContact O-N 3.06Å; K1065-K1069 VanDerWaalsContact O-N 3.09Å; K1065-L1113 HydrophobicContact CB-CD2 4.49Å; K1065-L1113 HydrophobicContact CG-CD2 3.82Å; K1065-E1114 WeakPolarHBondContact CE-OE1 3.48Å; K1065-E1114 IonicContact NZ-OE1 2.67Å; K1065-E1114 PolarHBondContact NZ-OE1 3.47Å
1066K86.1Confident84.9Confident138 Ų13880.6 Ų80.660%0.636%0.359SS*.Hα-helixtrans-68.2-40.7177.2-69.5165.1-170.2171.80111.9E1062 K1063 E1064 K1070E1062-K1066 WeakPolarHBondContact O-CD 3.19Å; E1062-K1066 VanDerWaalsContact O-CG 3.27Å; E1062-K1066 WeakPolarHBondContact O-CG 3.32Å; E1062-K1066 PolarHBondContact O-N 2.85Å; K1063-K1066 WeakPolarHBondContact O-CB 3.3Å; K1063-K1066 PolarHBondContact O-N 3.48Å; K1063-K1066 VanDerWaalsContact O-N 3.13Å; E1064-K1066 VanDerWaalsContact C-N 3.31Å; E1064-K1066 PolarHBondContact O-N 3.19Å; K1066-K1070 WeakPolarHBondContact O-CB 3.42Å; K1066-K1070 PolarHBondContact O-N 2.86Å
1067E86.3Confident84.2Confident103 Ų10379.2 Ų79.248%0.48136%0.355SS..Hα-helixtrans-67.3-45175.5-69.2-132.213800112.8V901 K1063 E1064 K1069 K1070 K1071V901-E1067 HydrophobicContact CG1-CB 4.24Å; K1063-E1067 WeakPolarHBondContact O-CG 3.47Å; K1063-E1067 PolarHBondContact O-N 2.99Å; E1064-E1067 PolarHBondContact O-N 3.4Å; E1067-K1069 VanDerWaalsContact C-N 3.31Å; E1067-K1069 PolarHBondContact O-N 3.33Å; E1067-K1070 PolarHBondContact O-N 2.85Å; E1067-K1071 WeakPolarHBondContact O-CG 3.26Å; E1067-K1071 PolarHBondContact O-N 2.83Å
1068L85Confident83.6Confident4 Ų483.3 Ų83.32%0.02137%0.374CS..Hα-helixtrans-59.2-44.3176.7178.960.8000110.9L897 E1064 K1071 M1072 L1113L897-L1068 HydrophobicContact CB-CD1 4.47Å; L897-L1068 HydrophobicContact CD2-CD1 3.69Å; L897-L1068 HydrophobicContact CG-CD1 3.84Å; E1064-L1068 WeakPolarHBondContact O-CB 3.42Å; E1064-L1068 PolarHBondContact O-N 2.87Å; L1068-K1071 PolarHBondContact O-N 2.94Å; L1068-M1072 HydrophobicContact CD1-CG 4.39Å; L1068-M1072 WeakPolarHBondContact O-CG 3.28Å; L1068-M1072 PolarHBondContact O-N 2.98Å; L1068-L1113 HydrophobicContact CB-CD2 4.21Å; L1068-L1113 HydrophobicContact CD2-CB 3.82Å; L1068-L1113 HydrophobicContact CD2-CD2 3.57Å; L1068-L1113 HydrophobicContact CD2-CG 4.26Å
1069K81.8Confident82.8Confident132 Ų13280.8 Ų80.857%0.57436%0.363SS*.Hα-helixtrans-59.2-47.3174.3-174.6173.8-179.9179.80111.7K1065 E1067 K1071 M1072 D1073K1065-K1069 WeakPolarHBondContact O-CB 3.26Å; K1065-K1069 PolarHBondContact O-N 3.06Å; K1065-K1069 VanDerWaalsContact O-N 3.09Å; E1067-K1069 VanDerWaalsContact C-N 3.31Å; E1067-K1069 PolarHBondContact O-N 3.33Å; K1069-K1071 VanDerWaalsContact C-N 3.34Å; K1069-K1071 PolarHBondContact O-N 3.27Å; K1069-M1072 PolarHBondContact O-N 2.96Å; K1069-M1072 VanDerWaalsContact O-N 3.16Å; K1069-D1073 WeakPolarHBondContact CG-OD2 3.44Å; K1069-D1073 PolarHBondContact O-N 3.47Å
1070K85.4Confident81.9Confident163 Ų16378.2 Ų78.271%0.70935%0.352SS*.Hα-helixtrans-60.3-39.5176.9-171.2180-179.8-176.70112.7K1066 E1067 K1074K1066-K1070 WeakPolarHBondContact O-CB 3.42Å; K1066-K1070 PolarHBondContact O-N 2.86Å; E1067-K1070 PolarHBondContact O-N 2.85Å; K1070-K1074 PolarHBondContact O-N 2.83Å
1071K82.5Confident80.9Confident69 Ų6980.6 Ų80.630%0.337%0.368SS..Hα-helixtrans-66-39.7174.3-73.4176.8176.5179.50111.8L897 S900 V901 E1067 L1068 K1069 K1075L897-K1071 HydrophobicContact CD1-CB 4.22Å; L897-K1071 HydrophobicContact CD1-CD 3.93Å; L897-K1071 HydrophobicContact CD2-CB 4.4Å; L897-K1071 HydrophobicContact CG-CD 4.49Å; S900-K1071 PolarHBondContact O-NZ 2.62Å; S900-K1071 PolarHBondContact OG-NZ 2.87Å; V901-K1071 HydrophobicContact CG2-CD 3.88Å; E1067-K1071 WeakPolarHBondContact O-CG 3.26Å; E1067-K1071 PolarHBondContact O-N 2.83Å; L1068-K1071 PolarHBondContact O-N 2.94Å; K1069-K1071 VanDerWaalsContact C-N 3.34Å; K1069-K1071 PolarHBondContact O-N 3.27Å; K1071-K1075 PolarHBondContact O-N 3.23Å
1072M80.8Confident79.9Confident4 Ų486.9 Ų86.92%0.0240%0.396CS..Hα-helixtrans-70.6-43.5177.1-72.3-63.6-71.500113L897 L1068 K1069 K1074 K1075 R1076 Y1102 E1105 V1106 Y1109L897-M1072 HydrophobicContact CD2-CG 4.16Å; L897-M1072 HydrophobicContact CD2-SD 3.65Å; L1068-M1072 HydrophobicContact CD1-CG 4.39Å; L1068-M1072 WeakPolarHBondContact O-CG 3.28Å; L1068-M1072 PolarHBondContact O-N 2.98Å; K1069-M1072 PolarHBondContact O-N 2.96Å; K1069-M1072 VanDerWaalsContact O-N 3.16Å; M1072-K1074 VanDerWaalsContact C-N 3.27Å; M1072-K1074 PolarHBondContact O-N 3.43Å; M1072-K1075 WeakPolarHBondContact O-CB 3.46Å; M1072-K1075 PolarHBondContact O-N 3.03Å; M1072-K1075 VanDerWaalsContact O-N 3.11Å; M1072-R1076 PolarHBondContact O-N 3.2Å; M1072-Y1102 HydrophobicContact CB-CE2 4.22Å; M1072-Y1102 HydrophobicContact CE-CE2 4.11Å; M1072-Y1102 PolarHBondContact O-OH 3.29Å; M1072-E1105 HydrophobicContact CE-CB 3.97Å; M1072-V1106 HydrophobicContact CB-CG2 4.15Å; M1072-V1106 HydrophobicContact CE-CG2 3.74Å; M1072-V1106 HydrophobicContact CG-CG2 4.43Å; M1072-Y1109 HydrophobicContact CE-CD2 3.72Å; M1072-Y1109 HydrophobicContact CE-CE2 4.22Å; M1072-Y1109 HydrophobicContact SD-CD2 3.95Å; M1072-Y1109 HydrophobicContact SD-CE2 4.32Å; M1072-Y1109 HydrophobicContact SD-CG 4.43Å
1073D79.3Confident78.8Confident66 Ų6684.5 Ų84.535%0.35339%0.392SS..Hα-helixtrans-64.2-33.6178.9-75.7-36.2000111.5K1069 R1076 Q1077 Y1102K1069-D1073 WeakPolarHBondContact CG-OD2 3.44Å; K1069-D1073 PolarHBondContact O-N 3.47Å; D1073-R1076 PolarHBondContact O-N 2.98Å; D1073-Q1077 PolarHBondContact O-N 3.38Å; D1073-Y1102 VanDerWaalsContact CA-OH 3.31Å; D1073-Y1102 WeakPolarHBondContact CA-OH 3.32Å; D1073-Y1102 PolarHBondContact N-OH 3.21Å; D1073-Y1102 VanDerWaalsContact N-OH 3.15Å; D1073-Y1102 PolarHBondContact OD1-OH 2.96Å
1074K82.5Confident77.5Confident132 Ų13285 Ų8557%0.57439%0.394SS*.Hα-helixtrans-62.4-49.7169.8-172.1176.1-175.2-84.10111.8K1070 M1072 R1076 Q1077 E1078K1070-K1074 PolarHBondContact O-N 2.83Å; M1072-K1074 VanDerWaalsContact C-N 3.27Å; M1072-K1074 PolarHBondContact O-N 3.43Å; K1074-R1076 VanDerWaalsContact C-N 3.26Å; K1074-R1076 PolarHBondContact O-N 3.42Å; K1074-Q1077 PolarHBondContact O-N 3.25Å; K1074-Q1077 VanDerWaalsContact O-N 3.08Å; K1074-E1078 WeakPolarHBondContact CE-OE1 3.39Å; K1074-E1078 IonicContact NZ-OE1 3.05Å; K1074-E1078 PolarHBondContact NZ-OE1 3.49Å; K1074-E1078 WeakPolarHBondContact O-CG 2.96Å; K1074-E1078 PolarHBondContact O-N 2.8Å
1075K78.1Confident76.2Confident93 Ų9389.6 Ų89.640%0.40443%0.426SS..Hα-helixtrans-56.7-37175.2-99.4-176.9174.2179.50112.9K1071 M1072 K1079K1071-K1075 PolarHBondContact O-N 3.23Å; M1072-K1075 WeakPolarHBondContact O-CB 3.46Å; M1072-K1075 PolarHBondContact O-N 3.03Å; M1072-K1075 VanDerWaalsContact O-N 3.11Å; K1075-K1079 WeakPolarHBondContact O-CG 3.47Å; K1075-K1079 PolarHBondContact O-N 3.17Å
1076R78.4Confident74.9Confident83 Ų8394.5 Ų94.531%0.31345%0.448SS..Hα-helixtrans-65.4-45.6173.8170.6167.1177.7-93.30.7112.1M1072 D1073 K1074 E1078 K1079 I1080 Y1102M1072-R1076 PolarHBondContact O-N 3.2Å; D1073-R1076 PolarHBondContact O-N 2.98Å; K1074-R1076 VanDerWaalsContact C-N 3.26Å; K1074-R1076 PolarHBondContact O-N 3.42Å; R1076-E1078 VanDerWaalsContact C-N 3.26Å; R1076-E1078 PolarHBondContact O-N 2.91Å; R1076-K1079 PolarHBondContact O-N 2.84Å; R1076-I1080 HydrophobicContact CG-CD1 3.61Å; R1076-I1080 HydrophobicContact CG-CG1 4.35Å; R1076-I1080 WeakPolarHBondContact O-CB 3.48Å; R1076-I1080 VanDerWaalsContact O-CG1 3.28Å; R1076-I1080 WeakPolarHBondContact O-CG1 3.42Å; R1076-I1080 PolarHBondContact O-N 2.92Å; R1076-Y1102 HydrophobicContact CB-CD2 3.92Å; R1076-Y1102 HydrophobicContact CB-CE1 4.35Å; R1076-Y1102 HydrophobicContact CB-CE2 3.61Å; R1076-Y1102 HydrophobicContact CB-CG 4.42Å; R1076-Y1102 VanDerWaalsContact CD-CD1 3.42Å; R1076-Y1102 HydrophobicContact CG-CD2 4.44Å; R1076-Y1102 HydrophobicContact CG-CE1 4.48Å; R1076-Y1102 HydrophobicContact CG-CE2 4.44Å; R1076-Y1102 HydrophobicContact CG-CG 4.47Å
1077Q74.7Confident73.6Confident107 Ų10794.3 Ų94.350%0.545%0.454SS..Hα-helixtrans-64.3-34.5179-165.367.35.800111.8D1073 K1074 T1081D1073-Q1077 PolarHBondContact O-N 3.38Å; K1074-Q1077 PolarHBondContact O-N 3.25Å; K1074-Q1077 VanDerWaalsContact O-N 3.08Å; Q1077-T1081 WeakPolarHBondContact O-CB 3.41Å; Q1077-T1081 PolarHBondContact O-N 3.27Å; Q1077-T1081 VanDerWaalsContact O-N 3.11Å; Q1077-T1081 PolarHBondContact O-OG1 3.02Å
1078E75.8Confident72.3Confident87 Ų8797.9 Ų97.941%0.40747%0.467SS..Hα-helixtrans-63.8-56.4172-69.9163.1168.600111.1K1074 R1076 I1080 T1081 E1082K1074-E1078 WeakPolarHBondContact CE-OE1 3.39Å; K1074-E1078 IonicContact NZ-OE1 3.05Å; K1074-E1078 PolarHBondContact NZ-OE1 3.49Å; K1074-E1078 WeakPolarHBondContact O-CG 2.96Å; K1074-E1078 PolarHBondContact O-N 2.8Å; R1076-E1078 VanDerWaalsContact C-N 3.26Å; R1076-E1078 PolarHBondContact O-N 2.91Å; E1078-I1080 VanDerWaalsContact C-N 3.3Å; E1078-I1080 PolarHBondContact O-N 2.81Å; E1078-T1081 WeakPolarHBondContact O-CB 3.34Å; E1078-T1081 PolarHBondContact O-N 2.77Å; E1078-E1082 PolarHBondContact O-N 3.47Å; E1078-E1082 VanDerWaalsContact O-N 3.11Å
1079K70.3Confident70.8Confident79 Ų79103.4 Ų103.434%0.34351%0.506SS..Hα-helixtrans-52.1-43.9175.1-76.3-179.7175.9-178.40112.8K1075 R1076 T1081 E1082 A1083 E1105K1075-K1079 WeakPolarHBondContact O-CG 3.47Å; K1075-K1079 PolarHBondContact O-N 3.17Å; R1076-K1079 PolarHBondContact O-N 2.84Å; K1079-T1081 VanDerWaalsContact C-N 3.28Å; K1079-T1081 PolarHBondContact O-N 3.02Å; K1079-E1082 PolarHBondContact O-N 3.26Å; K1079-A1083 PolarHBondContact O-N 3.43Å; K1079-A1083 VanDerWaalsContact O-N 3.13Å; K1079-E1105 IonicContact NZ-OE1 2.6Å; K1079-E1105 PolarHBondContact NZ-OE1 3.4Å; K1079-E1105 IonicContact NZ-OE2 3.96Å; K1079-E1105 PolarHBondContact NZ-OE2 3.18Å
1080I69Low69.5Low39 Ų39103.6 Ų103.620%0.251%0.509CS..Hα-helixtrans-66.7-28.9178.6-72.6171.3000112R1076 E1078 K1084 M1098R1076-I1080 HydrophobicContact CG-CD1 3.61Å; R1076-I1080 HydrophobicContact CG-CG1 4.35Å; R1076-I1080 WeakPolarHBondContact O-CB 3.48Å; R1076-I1080 VanDerWaalsContact O-CG1 3.28Å; R1076-I1080 WeakPolarHBondContact O-CG1 3.42Å; R1076-I1080 PolarHBondContact O-N 2.92Å; E1078-I1080 VanDerWaalsContact C-N 3.3Å; E1078-I1080 PolarHBondContact O-N 2.81Å; I1080-K1084 WeakPolarHBondContact O-CG 3.46Å; I1080-K1084 PolarHBondContact O-N 2.69Å; I1080-M1098 HydrophobicContact CG1-SD 3.94Å
1081T68.3Low68.1Low86 Ų8699.7 Ų99.753%0.52849%0.494SS..Hα-helixtrans-78.5-37.2179.7-56.90000111.4Q1077 E1078 K1079Q1077-T1081 WeakPolarHBondContact O-CB 3.41Å; Q1077-T1081 PolarHBondContact O-N 3.27Å; Q1077-T1081 VanDerWaalsContact O-N 3.11Å; Q1077-T1081 PolarHBondContact O-OG1 3.02Å; E1078-T1081 WeakPolarHBondContact O-CB 3.34Å; E1078-T1081 PolarHBondContact O-N 2.77Å; K1079-T1081 VanDerWaalsContact C-N 3.28Å; K1079-T1081 PolarHBondContact O-N 3.02Å
1082E66.1Low66.9Low146 Ų146102.3 Ų102.368%0.68251%0.508SS*.Hα-helixtrans-61.6-45.9169.4-70.7-175.6117.800111.7E1078 K1079 K1084 S1085E1078-E1082 PolarHBondContact O-N 3.47Å; E1078-E1082 VanDerWaalsContact O-N 3.11Å; K1079-E1082 PolarHBondContact O-N 3.26Å; E1082-K1084 PolarHBondContact O-N 2.7Å; E1082-S1085 WeakPolarHBondContact O-CB 3.35Å; E1082-S1085 PolarHBondContact O-N 3.11Å; E1082-S1085 VanDerWaalsContact O-N 3.07Å; E1082-S1085 PolarHBondContact O-OG 2.94Å
1083A62.8Low65.8Low41 Ų41110.2 Ų110.234%0.33955%0.545SS..Hα-helixtrans-60-31.3-177.700000114K1079 S1085 K1086 M1098K1079-A1083 PolarHBondContact O-N 3.43Å; K1079-A1083 VanDerWaalsContact O-N 3.13Å; A1083-S1085 PolarHBondContact O-N 3.25Å; A1083-S1085 VanDerWaalsContact O-N 3.08Å; A1083-K1086 PolarHBondContact O-N 3.25Å; A1083-M1098 HydrophobicContact CB-CE 3.88Å
1084K61.3Low64.9Low145 Ų145112.1 Ų112.163%0.6355%0.551SS**THydrogen-bonded Turntrans-66-5176.4-76173.5-180179.90114.9I1080 E1082I1080-K1084 WeakPolarHBondContact O-CG 3.46Å; I1080-K1084 PolarHBondContact O-N 2.69Å; E1082-K1084 PolarHBondContact O-N 2.7Å
1085S59.9Low63.9Low100 Ų100110.5 Ų110.570%0.69954%0.544SS*.THydrogen-bonded Turntrans-87.20.5175.367.90000114.4E1082 A1083E1082-S1085 WeakPolarHBondContact O-CB 3.35Å; E1082-S1085 PolarHBondContact O-N 3.11Å; E1082-S1085 VanDerWaalsContact O-N 3.07Å; E1082-S1085 PolarHBondContact O-OG 2.94Å; A1083-S1085 PolarHBondContact O-N 3.25Å; A1083-S1085 VanDerWaalsContact O-N 3.08Å
1086K59.3Low63.1Low167 Ų167109.7 Ų109.773%0.72655%0.548SS*.SBendtrans-118.3169.5-179.8-69.6-175.6178.3178.60112.8A1083A1083-K1086 PolarHBondContact O-N 3.25Å
1087D58.2Low62.6Low135 Ų135112.1 Ų112.172%0.72256%0.563SS**  trans-72.1150.8-155.2-151.4-12.5000114.6S1089D1087-S1089 VanDerWaalsContact C-N 3.3Å; D1087-S1089 PolarHBondContact O-N 3.41Å; D1087-S1089 VanDerWaalsContact O-N 3.15Å
1088K58.4Low62.2Low177 Ų177110 Ų11077%0.7755%0.553SS**THydrogen-bonded Turntrans-69.3-16.6-161.2-96.4178.6174.71760115.7M1091K1088-M1091 HydrophobicContact CB-CE 4.4Å; K1088-M1091 HydrophobicContact CG-CE 3.81Å
1089S54.6Low61.7Low120 Ų120109 Ų10984%0.83955%0.55SS**THydrogen-bonded Turntrans-92.7-11.7-168.2-161.70000115.8D1087D1087-S1089 VanDerWaalsContact C-N 3.3Å; D1087-S1089 PolarHBondContact O-N 3.41Å; D1087-S1089 VanDerWaalsContact O-N 3.15Å
1090Q54.2Low61.7Low136 Ų136112.6 Ų112.664%0.63656%0.561SS**SBendtrans-99.1-0.8176.3-65-179.9-75.600112.6E1092 E1094Q1090-E1092 PolarHBondContact O-N 2.72Å; Q1090-E1094 PolarHBondContact O-N 3.3Å
1091M55.3Low62Low81 Ų81113.2 Ų113.240%0.39957%0.569SS.*THydrogen-bonded Turntrans-76.9-15.4-156.7-149.3-158.8-52.500116.3K1088 K1095K1088-M1091 HydrophobicContact CB-CE 4.4Å; K1088-M1091 HydrophobicContact CG-CE 3.81Å; M1091-K1095 WeakPolarHBondContact O-CB 3.11Å
1092E57.3Low62.5Low125 Ų125110.3 Ų110.358%0.58455%0.549SS*.THydrogen-bonded Turntrans-85.9-38.7179.2-79.4-68.599.800112.6Q1090 K1095 T1096Q1090-E1092 PolarHBondContact O-N 2.72Å; E1092-K1095 IonicContact OE1-NZ 2.72Å; E1092-K1095 PolarHBondContact OE1-NZ 3.21Å; E1092-K1095 IonicContact OE2-NZ 2.95Å; E1092-T1096 WeakPolarHBondContact O-CB 3.49Å; E1092-T1096 PolarHBondContact O-N 2.97Å; E1092-T1096 PolarHBondContact O-OG1 2.83Å
1093E58.3Low62.8Low170 Ų170107.9 Ų107.979%0.79454%0.54SS*.Hα-helixtrans-77.2-49.4-176.3-152.8162.3-148.400110.5K1095 T1096 E1097E1093-K1095 VanDerWaalsContact C-N 3.28Å; E1093-K1095 PolarHBondContact O-N 2.76Å; E1093-T1096 WeakPolarHBondContact O-CB 3.35Å; E1093-T1096 PolarHBondContact O-N 3.43Å; E1093-T1096 VanDerWaalsContact O-N 3.07Å; E1093-E1097 PolarHBondContact O-N 2.83Å
1094E59.9Low63.3Low105 Ų105111.6 Ų111.649%0.49155%0.55SS..Hα-helixtrans-57.4-39173.8-68.7-171152.700112.6Q1090 E1097 M1098Q1090-E1094 PolarHBondContact O-N 3.3Å; E1094-E1097 PolarHBondContact O-N 3.24Å; E1094-M1098 WeakPolarHBondContact O-CB 3.17Å; E1094-M1098 PolarHBondContact O-N 3.04Å
1095K62Low64.2Low98 Ų98107.7 Ų107.743%0.42653%0.534SS..Hα-helixtrans-66-37.2177.1168.7-176.5157.8-157.10112M1091 E1092 E1093 I1099M1091-K1095 WeakPolarHBondContact O-CB 3.11Å; E1092-K1095 IonicContact OE1-NZ 2.72Å; E1092-K1095 PolarHBondContact OE1-NZ 3.21Å; E1092-K1095 IonicContact OE2-NZ 2.95Å; E1093-K1095 VanDerWaalsContact C-N 3.28Å; E1093-K1095 PolarHBondContact O-N 2.76Å; K1095-I1099 HydrophobicContact CG-CD1 4.33Å; K1095-I1099 WeakPolarHBondContact O-CB 3.27Å; K1095-I1099 WeakPolarHBondContact O-CD1 3.39Å; K1095-I1099 VanDerWaalsContact O-CG1 3.23Å; K1095-I1099 WeakPolarHBondContact O-CG1 3.38Å; K1095-I1099 PolarHBondContact O-N 3.29Å
1096T62.1Low65.1Low77 Ų77104.2 Ų104.247%0.47251%0.509SS..Hα-helixtrans-70.9-41.7177.1-590000110.9E1092 E1093 I1099 R1100E1092-T1096 WeakPolarHBondContact O-CB 3.49Å; E1092-T1096 PolarHBondContact O-N 2.97Å; E1092-T1096 PolarHBondContact O-OG1 2.83Å; E1093-T1096 WeakPolarHBondContact O-CB 3.35Å; E1093-T1096 PolarHBondContact O-N 3.43Å; E1093-T1096 VanDerWaalsContact O-N 3.07Å; T1096-I1099 PolarHBondContact O-N 2.84Å; T1096-R1100 PolarHBondContact O-N 3.22Å
1097E67.8Low65.9Low134 Ų134100.6 Ų100.663%0.62650%0.5SS*.Hα-helixtrans-67.4-40.7173.6-175.1160-141.600112.4E1093 E1094 I1099 R1100 S1101E1093-E1097 PolarHBondContact O-N 2.83Å; E1094-E1097 PolarHBondContact O-N 3.24Å; E1097-I1099 VanDerWaalsContact C-N 3.31Å; E1097-I1099 PolarHBondContact O-N 2.65Å; E1097-R1100 PolarHBondContact O-N 2.84Å; E1097-R1100 VanDerWaalsContact O-N 3.17Å; E1097-S1101 VanDerWaalsContact O-CB 3.31Å; E1097-S1101 WeakPolarHBondContact O-CB 3.36Å; E1097-S1101 PolarHBondContact O-N 3.49Å
1098M65.1Low67.1Low61 Ų6199.2 Ų99.230%0.349%0.49SS..Hα-helixtrans-60.8-38.6174.8-173.1-174.6-57.500112.1I1080 A1083 E1094 Y1102I1080-M1098 HydrophobicContact CG1-SD 3.94Å; A1083-M1098 HydrophobicContact CB-CE 3.88Å; E1094-M1098 WeakPolarHBondContact O-CB 3.17Å; E1094-M1098 PolarHBondContact O-N 3.04Å; M1098-Y1102 VanDerWaalsContact O-CB 3.31Å; M1098-Y1102 WeakPolarHBondContact O-CB 3.35Å; M1098-Y1102 PolarHBondContact O-N 2.88Å
1099I65.6Low68.2Low67 Ų6793.3 Ų93.334%0.34446%0.463SS..Hα-helixtrans-66.4-45.2173.9-72.7165.5000110.7K1095 T1096 E1097 Y1102 I1103K1095-I1099 HydrophobicContact CG-CD1 4.33Å; K1095-I1099 WeakPolarHBondContact O-CB 3.27Å; K1095-I1099 WeakPolarHBondContact O-CD1 3.39Å; K1095-I1099 VanDerWaalsContact O-CG1 3.23Å; K1095-I1099 WeakPolarHBondContact O-CG1 3.38Å; K1095-I1099 PolarHBondContact O-N 3.29Å; T1096-I1099 PolarHBondContact O-N 2.84Å; E1097-I1099 VanDerWaalsContact C-N 3.31Å; E1097-I1099 PolarHBondContact O-N 2.65Å; I1099-Y1102 PolarHBondContact O-N 3.1Å; I1099-I1103 HydrophobicContact CG2-CD1 3.88Å; I1099-I1103 VanDerWaalsContact O-CG1 3.29Å; I1099-I1103 WeakPolarHBondContact O-CG1 3.4Å; I1099-I1103 PolarHBondContact O-N 3.06Å
1100R71Confident69.5Low154 Ų15490.7 Ų90.758%0.58144%0.439SS*.Hα-helixtrans-60.8-45.1176.9-173.6-176.8-68.7160.4-1.4111.7T1096 E1097 I1103 Q1104T1096-R1100 PolarHBondContact O-N 3.22Å; E1097-R1100 PolarHBondContact O-N 2.84Å; E1097-R1100 VanDerWaalsContact O-N 3.17Å; R1100-I1103 PolarHBondContact O-N 3.37Å; R1100-Q1104 WeakPolarHBondContact O-CG 3.44Å; R1100-Q1104 PolarHBondContact O-N 3.05Å; R1100-Q1104 VanDerWaalsContact O-N 3.1Å
1101S74.9Confident70.8Confident53 Ų5390.4 Ų90.437%0.37144%0.435SS..Hα-helixtrans-62.9-46176.4179.90000111.8E1097 I1103 Q1104 E1105E1097-S1101 VanDerWaalsContact O-CB 3.31Å; E1097-S1101 WeakPolarHBondContact O-CB 3.36Å; E1097-S1101 PolarHBondContact O-N 3.49Å; S1101-I1103 VanDerWaalsContact C-N 3.35Å; S1101-I1103 PolarHBondContact O-N 3.46Å; S1101-Q1104 CarbonylContact O-C 3.6Å; S1101-Q1104 PolarHBondContact O-N 3.23Å; S1101-Q1104 VanDerWaalsContact O-N 3.12Å; S1101-E1105 PolarHBondContact O-N 3.3Å
1102Y78.1Confident72.2Confident25 Ų2591.9 Ų91.910%0.09844%0.436CS..Hα-helixtrans-60.5-41175.3176.6-107.3000112.9M1072 D1073 R1076 M1098 I1099 Q1104 E1105 V1106M1072-Y1102 HydrophobicContact CB-CE2 4.22Å; M1072-Y1102 HydrophobicContact CE-CE2 4.11Å; M1072-Y1102 PolarHBondContact O-OH 3.29Å; D1073-Y1102 VanDerWaalsContact CA-OH 3.31Å; D1073-Y1102 WeakPolarHBondContact CA-OH 3.32Å; D1073-Y1102 PolarHBondContact N-OH 3.21Å; D1073-Y1102 VanDerWaalsContact N-OH 3.15Å; D1073-Y1102 PolarHBondContact OD1-OH 2.96Å; R1076-Y1102 HydrophobicContact CB-CD2 3.92Å; R1076-Y1102 HydrophobicContact CB-CE1 4.35Å; R1076-Y1102 HydrophobicContact CB-CE2 3.61Å; R1076-Y1102 HydrophobicContact CB-CG 4.42Å; R1076-Y1102 VanDerWaalsContact CD-CD1 3.42Å; R1076-Y1102 HydrophobicContact CG-CD2 4.44Å; R1076-Y1102 HydrophobicContact CG-CE1 4.48Å; R1076-Y1102 HydrophobicContact CG-CE2 4.44Å; R1076-Y1102 HydrophobicContact CG-CG 4.47Å; M1098-Y1102 VanDerWaalsContact O-CB 3.31Å; M1098-Y1102 WeakPolarHBondContact O-CB 3.35Å; M1098-Y1102 PolarHBondContact O-N 2.88Å; I1099-Y1102 PolarHBondContact O-N 3.1Å; Y1102-Q1104 VanDerWaalsContact C-N 3.3Å; Y1102-Q1104 PolarHBondContact O-N 2.93Å; Y1102-E1105 PolarHBondContact O-N 2.87Å; Y1102-V1106 HydrophobicContact CD1-CG2 4.17Å; Y1102-V1106 HydrophobicContact CD2-CG2 4.04Å; Y1102-V1106 HydrophobicContact CE1-CG2 3.72Å; Y1102-V1106 HydrophobicContact CE2-CG2 3.53Å; Y1102-V1106 HydrophobicContact CG-CG2 4.35Å; Y1102-V1106 WeakPolarHBondContact O-CB 3.37Å; Y1102-V1106 WeakPolarHBondContact O-CG2 3.26Å; Y1102-V1106 PolarHBondContact O-N 3.04Å
1103I71.7Confident73.5Confident95 Ų9586 Ų8649%0.48741%0.409SS..Hα-helixtrans-61.7-41.1175.8-69.6164.2000110.2I1099 R1100 S1101 V1106 V1107I1099-I1103 HydrophobicContact CG2-CD1 3.88Å; I1099-I1103 VanDerWaalsContact O-CG1 3.29Å; I1099-I1103 WeakPolarHBondContact O-CG1 3.4Å; I1099-I1103 PolarHBondContact O-N 3.06Å; R1100-I1103 PolarHBondContact O-N 3.37Å; S1101-I1103 VanDerWaalsContact C-N 3.35Å; S1101-I1103 PolarHBondContact O-N 3.46Å; I1103-V1106 PolarHBondContact O-N 2.82Å; I1103-V1107 HydrophobicContact CG2-CG2 4.48Å; I1103-V1107 WeakPolarHBondContact O-CB 3.45Å; I1103-V1107 VanDerWaalsContact O-CG2 3.27Å; I1103-V1107 WeakPolarHBondContact O-CG2 3.16Å; I1103-V1107 PolarHBondContact O-N 3.42Å
1104Q75.2Confident74.8Confident118 Ų11881.9 Ų81.955%0.55139%0.39SS*.Hα-helixtrans-67.4-41.3175.1-69.6177.3-6.100112.8R1100 S1101 Y1102 Q1108R1100-Q1104 WeakPolarHBondContact O-CG 3.44Å; R1100-Q1104 PolarHBondContact O-N 3.05Å; R1100-Q1104 VanDerWaalsContact O-N 3.1Å; S1101-Q1104 CarbonylContact O-C 3.6Å; S1101-Q1104 PolarHBondContact O-N 3.23Å; S1101-Q1104 VanDerWaalsContact O-N 3.12Å; Y1102-Q1104 VanDerWaalsContact C-N 3.3Å; Y1102-Q1104 PolarHBondContact O-N 2.93Å; Q1104-Q1108 WeakPolarHBondContact O-CG 3.11Å; Q1104-Q1108 PolarHBondContact O-N 2.88Å
1105E79.8Confident76.1Confident63 Ų6380.8 Ų80.829%0.29439%0.385SS..Hα-helixtrans-56.6-52171.6-73.7-176.6156.300110.4M1072 K1079 S1101 Y1102 V1107 Q1108 Y1109M1072-E1105 HydrophobicContact CE-CB 3.97Å; K1079-E1105 IonicContact NZ-OE1 2.6Å; K1079-E1105 PolarHBondContact NZ-OE1 3.4Å; K1079-E1105 IonicContact NZ-OE2 3.96Å; K1079-E1105 PolarHBondContact NZ-OE2 3.18Å; S1101-E1105 PolarHBondContact O-N 3.3Å; Y1102-E1105 PolarHBondContact O-N 2.87Å; E1105-V1107 PolarHBondContact O-N 2.93Å; E1105-Q1108 PolarHBondContact O-N 3.27Å; E1105-Y1109 VanDerWaalsContact O-CD2 3.24Å; E1105-Y1109 WeakPolarHBondContact O-CD2 3.42Å; E1105-Y1109 PolarHBondContact O-N 3.43Å
1106V79.4Confident77.2Confident28 Ų2877.4 Ų77.417%0.1738%0.375CS..Hα-helixtrans-61.8-44.9-178.7168.90000112.1M1072 Y1102 I1103 Q1108 Y1109 I1110M1072-V1106 HydrophobicContact CB-CG2 4.15Å; M1072-V1106 HydrophobicContact CE-CG2 3.74Å; M1072-V1106 HydrophobicContact CG-CG2 4.43Å; Y1102-V1106 HydrophobicContact CD1-CG2 4.17Å; Y1102-V1106 HydrophobicContact CD2-CG2 4.04Å; Y1102-V1106 HydrophobicContact CE1-CG2 3.72Å; Y1102-V1106 HydrophobicContact CE2-CG2 3.53Å; Y1102-V1106 HydrophobicContact CG-CG2 4.35Å; Y1102-V1106 WeakPolarHBondContact O-CB 3.37Å; Y1102-V1106 WeakPolarHBondContact O-CG2 3.26Å; Y1102-V1106 PolarHBondContact O-N 3.04Å; I1103-V1106 PolarHBondContact O-N 2.82Å; V1106-Q1108 VanDerWaalsContact C-N 3.32Å; V1106-Q1108 PolarHBondContact O-N 2.95Å; V1106-Y1109 PolarHBondContact O-N 3.25Å; V1106-I1110 HydrophobicContact CG1-CD1 3.64Å; V1106-I1110 HydrophobicContact CG1-CG1 4.29Å; V1106-I1110 WeakPolarHBondContact O-CB 3.4Å; V1106-I1110 WeakPolarHBondContact O-CG1 3.38Å; V1106-I1110 PolarHBondContact O-N 3.06Å
1107V76.1Confident78.5Confident91 Ų9174.3 Ų74.355%0.55236%0.355SS*.Hα-helixtrans-62.1-39.7177.3168.50000111.3I1103 E1105 K1111I1103-V1107 HydrophobicContact CG2-CG2 4.48Å; I1103-V1107 WeakPolarHBondContact O-CB 3.45Å; I1103-V1107 VanDerWaalsContact O-CG2 3.27Å; I1103-V1107 WeakPolarHBondContact O-CG2 3.16Å; I1103-V1107 PolarHBondContact O-N 3.42Å; E1105-V1107 PolarHBondContact O-N 2.93Å; V1107-K1111 WeakPolarHBondContact O-CB 3.35Å; V1107-K1111 PolarHBondContact O-N 3.4Å
1108Q81.7Confident79.4Confident106 Ų10670.7 Ų70.750%0.49534%0.344SS..Hα-helixtrans-66-43.7174.4-73.4-170.633.500112.8Q1104 E1105 V1106 K1111 R1112Q1104-Q1108 WeakPolarHBondContact O-CG 3.11Å; Q1104-Q1108 PolarHBondContact O-N 2.88Å; E1105-Q1108 PolarHBondContact O-N 3.27Å; V1106-Q1108 VanDerWaalsContact C-N 3.32Å; V1106-Q1108 PolarHBondContact O-N 2.95Å; Q1108-K1111 PolarHBondContact O-N 3.18Å; Q1108-R1112 WeakPolarHBondContact O-CG 3.46Å; Q1108-R1112 PolarHBondContact O-N 3.06Å; Q1108-R1112 VanDerWaalsContact OE1-NH2 3.14Å
1109Y82.6Confident80.5Confident52 Ų5273.4 Ų73.420%0.20436%0.355CS..Hα-helixtrans-67.4-38.7179.2-84.5-71.2000112.5L897 I898 M1072 E1105 V1106 L1113L897-Y1109 HydrophobicContact CB-CE1 4.25Å; I898-Y1109 HydrophobicContact CD1-CD1 4.09Å; I898-Y1109 HydrophobicContact CG1-CD1 4.21Å; M1072-Y1109 HydrophobicContact CE-CD2 3.72Å; M1072-Y1109 HydrophobicContact CE-CE2 4.22Å; M1072-Y1109 HydrophobicContact SD-CD2 3.95Å; M1072-Y1109 HydrophobicContact SD-CE2 4.32Å; M1072-Y1109 HydrophobicContact SD-CG 4.43Å; E1105-Y1109 VanDerWaalsContact O-CD2 3.24Å; E1105-Y1109 WeakPolarHBondContact O-CD2 3.42Å; E1105-Y1109 PolarHBondContact O-N 3.43Å; V1106-Y1109 PolarHBondContact O-N 3.25Å; Y1109-L1113 WeakPolarHBondContact O-CB 3.5Å; Y1109-L1113 PolarHBondContact O-N 3.19Å
1110I81.6Confident81.6Confident65 Ų6571.9 Ų71.933%0.33334%0.344SS..Hα-helixtrans-61.8-50172.8-70171.1000110V1106 R1112 L1113 E1114V1106-I1110 HydrophobicContact CG1-CD1 3.64Å; V1106-I1110 HydrophobicContact CG1-CG1 4.29Å; V1106-I1110 WeakPolarHBondContact O-CB 3.4Å; V1106-I1110 WeakPolarHBondContact O-CG1 3.38Å; V1106-I1110 PolarHBondContact O-N 3.06Å; I1110-R1112 VanDerWaalsContact C-N 3.35Å; I1110-R1112 PolarHBondContact O-N 2.86Å; I1110-L1113 WeakPolarHBondContact O-CB 3.37Å; I1110-L1113 PolarHBondContact O-N 2.89Å; I1110-L1113 VanDerWaalsContact O-N 3.13Å; I1110-E1114 HydrophobicContact CG2-CG 4.37Å; I1110-E1114 WeakPolarHBondContact O-CG 3.33Å; I1110-E1114 PolarHBondContact O-N 3.34Å
1111K81.2Confident82.6Confident130 Ų13068.4 Ų68.457%0.56534%0.335SS*.Hα-helixtrans-58.6-44.4-179.8-171.8-176.4-179.9-160.90112.3V1107 Q1108 E1114 E1115V1107-K1111 WeakPolarHBondContact O-CB 3.35Å; V1107-K1111 PolarHBondContact O-N 3.4Å; Q1108-K1111 PolarHBondContact O-N 3.18Å; K1111-E1114 PolarHBondContact O-N 2.97Å; K1111-E1115 WeakPolarHBondContact CE-OE1 3.3Å; K1111-E1115 IonicContact NZ-OE1 2.62Å; K1111-E1115 WeakPolarHBondContact O-CG 3.46Å; K1111-E1115 PolarHBondContact O-N 2.91Å
1112R84.3Confident83.2Confident112 Ų11271 Ų7142%0.42334%0.341SS..Hα-helixtrans-66.5-35.9177.1-68.7-177.7-150.6175.47.9112.7I898 Q1108 I1110 A1116I898-R1112 HydrophobicContact CD1-CB 3.35Å; I898-R1112 HydrophobicContact CD1-CG 4.44Å; Q1108-R1112 WeakPolarHBondContact O-CG 3.46Å; Q1108-R1112 PolarHBondContact O-N 3.06Å; Q1108-R1112 VanDerWaalsContact OE1-NH2 3.14Å; I1110-R1112 VanDerWaalsContact C-N 3.35Å; I1110-R1112 PolarHBondContact O-N 2.86Å; R1112-A1116 WeakPolarHBondContact O-CB 3.38Å; R1112-A1116 PolarHBondContact O-N 2.88Å
1113L85.8Confident83.8Confident1 Ų177.3 Ų77.31%0.00537%0.369CS..Hα-helixtrans-63.3-43.5171.9175.564.5000110.6I898 L902 E1064 K1065 L1068 Y1109 I1110 A1116 Q1117I898-L1113 HydrophobicContact CG1-CB 4.5Å; I898-L1113 HydrophobicContact CG2-CB 4.49Å; I898-L1113 HydrophobicContact CG2-CD1 4Å; L902-L1113 HydrophobicContact CD2-CD1 3.92Å; L902-L1113 HydrophobicContact CG-CD1 4.4Å; E1064-L1113 HydrophobicContact CB-CD2 4.43Å; K1065-L1113 HydrophobicContact CB-CD2 4.49Å; K1065-L1113 HydrophobicContact CG-CD2 3.82Å; L1068-L1113 HydrophobicContact CB-CD2 4.21Å; L1068-L1113 HydrophobicContact CD2-CB 3.82Å; L1068-L1113 HydrophobicContact CD2-CD2 3.57Å; L1068-L1113 HydrophobicContact CD2-CG 4.26Å; Y1109-L1113 WeakPolarHBondContact O-CB 3.5Å; Y1109-L1113 PolarHBondContact O-N 3.19Å; I1110-L1113 WeakPolarHBondContact O-CB 3.37Å; I1110-L1113 PolarHBondContact O-N 2.89Å; I1110-L1113 VanDerWaalsContact O-N 3.13Å; L1113-A1116 PolarHBondContact O-N 2.94Å; L1113-Q1117 HydrophobicContact CD1-CG 4.08Å; L1113-Q1117 HydrophobicContact CG-CG 4.26Å; L1113-Q1117 WeakPolarHBondContact O-CB 3.46Å; L1113-Q1117 VanDerWaalsContact O-CG 3.27Å; L1113-Q1117 WeakPolarHBondContact O-CG 3.41Å; L1113-Q1117 PolarHBondContact O-N 3.15Å
1114E84.9Confident84.6Confident84 Ų8473.1 Ų73.139%0.39335%0.348SS..Hα-helixtrans-65.7-40178.5-70.4177.2150.800112.1K1065 I1110 K1111 A1116 Q1117 S1118K1065-E1114 WeakPolarHBondContact CE-OE1 3.48Å; K1065-E1114 IonicContact NZ-OE1 2.67Å; K1065-E1114 PolarHBondContact NZ-OE1 3.47Å; I1110-E1114 HydrophobicContact CG2-CG 4.37Å; I1110-E1114 WeakPolarHBondContact O-CG 3.33Å; I1110-E1114 PolarHBondContact O-N 3.34Å; K1111-E1114 PolarHBondContact O-N 2.97Å; E1114-A1116 VanDerWaalsContact C-N 3.31Å; E1114-A1116 PolarHBondContact O-N 3.34Å; E1114-Q1117 PolarHBondContact O-N 2.87Å; E1114-S1118 WeakPolarHBondContact O-CB 3.46Å; E1114-S1118 PolarHBondContact O-N 2.64Å
1115E86.6Confident85.4Confident83 Ų8370.5 Ų70.539%0.38834%0.34SS..Hα-helixtrans-61.5-36.4171-73.2174.3-159.500112.5K1111 K1119K1111-E1115 WeakPolarHBondContact CE-OE1 3.3Å; K1111-E1115 IonicContact NZ-OE1 2.62Å; K1111-E1115 WeakPolarHBondContact O-CG 3.46Å; K1111-E1115 PolarHBondContact O-N 2.91Å; E1115-K1119 WeakPolarHBondContact O-CD 3.5Å; E1115-K1119 WeakPolarHBondContact O-CG 3.28Å; E1115-K1119 PolarHBondContact O-N 2.91Å
1116A86.8Confident85.9Confident27 Ų2771.7 Ų71.722%0.22335%0.345CS..Hα-helixtrans-74.4-39.6175.700000112.6I898 L902 R1112 L1113 E1114 K1119 R1120I898-A1116 HydrophobicContact CG2-CB 4.3Å; L902-A1116 HydrophobicContact CD1-CB 3.97Å; L902-A1116 HydrophobicContact CD2-CB 4.43Å; R1112-A1116 WeakPolarHBondContact O-CB 3.38Å; R1112-A1116 PolarHBondContact O-N 2.88Å; L1113-A1116 PolarHBondContact O-N 2.94Å; E1114-A1116 VanDerWaalsContact C-N 3.31Å; E1114-A1116 PolarHBondContact O-N 3.34Å; A1116-K1119 PolarHBondContact O-N 2.82Å; A1116-R1120 PolarHBondContact O-N 3.33Å
1117Q88.4Confident86.4Confident12 Ų1274.6 Ų74.66%0.05636%0.356CS..Hα-helixtrans-63.1-41.1174.9-74.4177.9-14.300111.3L902 C1061 E1064 L1113 E1114 R1120 Q1121L902-Q1117 HydrophobicContact CD2-CG 4.36Å; C1061-Q1117 VanDerWaalsContact CA-NE2 3.29Å; C1061-Q1117 HydrophobicContact CB-CG 4.36Å; C1061-Q1117 PolarHBondContact O-NE2 2.64Å; E1064-Q1117 PolarHBondContact OE2-NE2 2.94Å; L1113-Q1117 HydrophobicContact CD1-CG 4.08Å; L1113-Q1117 HydrophobicContact CG-CG 4.26Å; L1113-Q1117 WeakPolarHBondContact O-CB 3.46Å; L1113-Q1117 VanDerWaalsContact O-CG 3.27Å; L1113-Q1117 WeakPolarHBondContact O-CG 3.41Å; L1113-Q1117 PolarHBondContact O-N 3.15Å; E1114-Q1117 PolarHBondContact O-N 2.87Å; Q1117-R1120 PolarHBondContact O-N 3.29Å; Q1117-Q1121 PolarHBondContact O-N 3.48Å
1118S86.9Confident87.2Confident57 Ų5770.6 Ų70.640%0.39933%0.331SS..Hα-helixtrans-59.5-53.3173.3-162.10000111.1E1114 R1120 Q1121 E1122E1114-S1118 WeakPolarHBondContact O-CB 3.46Å; E1114-S1118 PolarHBondContact O-N 2.64Å; S1118-R1120 VanDerWaalsContact C-N 3.25Å; S1118-R1120 PolarHBondContact O-N 3.39Å; S1118-Q1121 CarbonylContact O-C 3.51Å; S1118-Q1121 WeakPolarHBondContact O-CA 3.45Å; S1118-Q1121 WeakPolarHBondContact O-CB 3.49Å; S1118-Q1121 PolarHBondContact O-N 3.4Å; S1118-E1122 WeakPolarHBondContact CB-OE1 3.41Å; S1118-E1122 VanDerWaalsContact O-CG 3.31Å; S1118-E1122 WeakPolarHBondContact O-CG 3.41Å; S1118-E1122 PolarHBondContact O-N 3.46Å; S1118-E1122 PolarHBondContact OG-OE1 2.96Å
1119K87.7Confident87.7Confident119 Ų11971 Ų7152%0.51733%0.331SS..Hα-helixtrans-59.2-32.1178.3-72.4166.4-175.8163.40113.5E1115 A1116 K1123E1115-K1119 WeakPolarHBondContact O-CD 3.5Å; E1115-K1119 WeakPolarHBondContact O-CG 3.28Å; E1115-K1119 PolarHBondContact O-N 2.91Å; A1116-K1119 PolarHBondContact O-N 2.82Å; K1119-K1123 WeakPolarHBondContact O-CG 3.48Å; K1119-K1123 PolarHBondContact O-N 2.98Å
1120R89.5Confident88.1Confident34 Ų3473.4 Ų73.413%0.12834%0.344CS..Hα-helixtrans-71-42.8172.7-176.5177.760.7-160-4.6111.7T903 L1057 C1061 E1064 A1116 Q1117 S1118 K1123 L1124T903-R1120 PolarHBondContact O-NH1 3.45Å; L1057-R1120 HydrophobicContact CD1-CG 4.48Å; C1061-R1120 PolarHBondContact SG-NH2 2.79Å; E1064-R1120 IonicContact OE1-CZ 3.06Å; E1064-R1120 IonicContact OE1-NH1 2.81Å; E1064-R1120 PolarHBondContact OE1-NH1 3.27Å; E1064-R1120 IonicContact OE1-NH2 2.74Å; E1064-R1120 PolarHBondContact OE1-NH2 3.12Å; E1064-R1120 IonicContact OE2-CZ 3.21Å; E1064-R1120 IonicContact OE2-NH1 2.74Å; E1064-R1120 PolarHBondContact OE2-NH1 3.06Å; E1064-R1120 IonicContact OE2-NH2 2.7Å; E1064-R1120 PolarHBondContact OE2-NH2 3.08Å; A1116-R1120 PolarHBondContact O-N 3.33Å; Q1117-R1120 PolarHBondContact O-N 3.29Å; S1118-R1120 VanDerWaalsContact C-N 3.25Å; S1118-R1120 PolarHBondContact O-N 3.39Å; R1120-K1123 PolarHBondContact O-N 3.43Å; R1120-L1124 PolarHBondContact O-N 3.48Å; R1120-L1124 VanDerWaalsContact O-N 3.1Å
1121Q90.5Very high88.5Confident82 Ų8271.2 Ų71.238%0.38333%0.333SS..Hα-helixtrans-64.3-43.9176.3-172.4179.8-60.900111.6L1054 L1057 Q1117 S1118 K1123 L1124 V1125L1054-Q1121 HydrophobicContact CD2-CG 4.24Å; L1057-Q1121 HydrophobicContact CD2-CB 3.92Å; L1057-Q1121 HydrophobicContact CD2-CG 4.03Å; Q1117-Q1121 PolarHBondContact O-N 3.48Å; S1118-Q1121 CarbonylContact O-C 3.51Å; S1118-Q1121 WeakPolarHBondContact O-CA 3.45Å; S1118-Q1121 WeakPolarHBondContact O-CB 3.49Å; S1118-Q1121 PolarHBondContact O-N 3.4Å; Q1121-K1123 PolarHBondContact O-N 3.36Å; Q1121-L1124 PolarHBondContact O-N 3.4Å; Q1121-V1125 HydrophobicContact CG-CG2 4.49Å; Q1121-V1125 WeakPolarHBondContact O-CG2 3.37Å; Q1121-V1125 PolarHBondContact O-N 3.01Å
1122E89.2Confident88.9Confident106 Ų10669 Ų6950%0.49532%0.321SS..Hα-helixtrans-56.4-49.4175.2-70.7153-140.700111.6S1118 L1124 V1125 E1126S1118-E1122 WeakPolarHBondContact CB-OE1 3.41Å; S1118-E1122 VanDerWaalsContact O-CG 3.31Å; S1118-E1122 WeakPolarHBondContact O-CG 3.41Å; S1118-E1122 PolarHBondContact O-N 3.46Å; S1118-E1122 PolarHBondContact OG-OE1 2.96Å; E1122-L1124 VanDerWaalsContact C-N 3.34Å; E1122-L1124 PolarHBondContact O-N 2.68Å; E1122-V1125 PolarHBondContact O-N 2.98Å; E1122-E1126 PolarHBondContact O-N 2.63Å
1123K89Confident89.1Confident159 Ų15968.4 Ų68.469%0.69132%0.323SS*.Hα-helixtrans-59.6-39.7175.7-77.4177.9176.3-173.30113.3K1119 R1120 Q1121 K1127K1119-K1123 WeakPolarHBondContact O-CG 3.48Å; K1119-K1123 PolarHBondContact O-N 2.98Å; R1120-K1123 PolarHBondContact O-N 3.43Å; Q1121-K1123 PolarHBondContact O-N 3.36Å; K1123-K1127 PolarHBondContact O-N 2.87Å; K1123-K1127 VanDerWaalsContact O-N 3.16Å
1124L90.5Very high89.4Confident6 Ų673.2 Ų73.23%0.03135%0.345CS..Hα-helixtrans-68.5-41.9178.5-174.365.2000111.1V905 A907 L1054 L1057 R1120 Q1121 E1122 K1127 H1128V905-L1124 HydrophobicContact CG1-CD2 4.25Å; A907-L1124 HydrophobicContact CB-CD1 4.03Å; L1054-L1124 HydrophobicContact CD2-CD2 4.26Å; L1057-L1124 HydrophobicContact CD2-CD2 3.97Å; R1120-L1124 PolarHBondContact O-N 3.48Å; R1120-L1124 VanDerWaalsContact O-N 3.1Å; Q1121-L1124 PolarHBondContact O-N 3.4Å; E1122-L1124 VanDerWaalsContact C-N 3.34Å; E1122-L1124 PolarHBondContact O-N 2.68Å; L1124-K1127 PolarHBondContact O-N 3.12Å; L1124-H1128 WeakPolarHBondContact O-CB 3.12Å; L1124-H1128 PolarHBondContact O-CD2 2.66Å; L1124-H1128 PolarHBondContact O-N 2.94Å
1125V90.6Very high89.7Confident64 Ų6469.2 Ų69.239%0.38833%0.327SS..Hα-helixtrans-65.6-37.1177.6170.30000111.9L1054 Q1121 E1122 H1128 K1129L1054-V1125 HydrophobicContact CD2-CG2 4.04Å; Q1121-V1125 HydrophobicContact CG-CG2 4.49Å; Q1121-V1125 WeakPolarHBondContact O-CG2 3.37Å; Q1121-V1125 PolarHBondContact O-N 3.01Å; E1122-V1125 PolarHBondContact O-N 2.98Å; V1125-H1128 WeakPolarHBondContact O-CB 3.27Å; V1125-H1128 PolarHBondContact O-N 3.49Å; V1125-K1129 WeakPolarHBondContact O-CB 3.4Å; V1125-K1129 PolarHBondContact O-N 2.85Å
1126E91Very high89.7Confident88 Ų8869.7 Ų69.741%0.41133%0.332SS..Hα-helixtrans-69.5-42.7175.9-163.562.8-158.400111.4E1122 H1128 K1129 E1130E1122-E1126 PolarHBondContact O-N 2.63Å; E1126-H1128 VanDerWaalsContact C-N 3.31Å; E1126-H1128 PolarHBondContact O-N 3.47Å; E1126-K1129 WeakPolarHBondContact O-CB 3.46Å; E1126-K1129 PolarHBondContact O-N 3.15Å; E1126-K1129 VanDerWaalsContact O-N 3.08Å; E1126-K1129 IonicContact OE1-NZ 3.45Å; E1126-K1129 PolarHBondContact OE1-NZ 3.11Å; E1126-K1129 IonicContact OE2-NZ 3.67Å; E1126-K1129 PolarHBondContact OE2-NZ 3.35Å; E1126-E1130 WeakPolarHBondContact O-CG 3.48Å; E1126-E1130 PolarHBondContact O-N 3.35Å
1127K89.9Confident89.8Confident89 Ų8971.6 Ų71.639%0.38734%0.338SS..Hα-helixtrans-56.6-42.7169-79.1-168.9173.8-171.40111.9E906 A907 K1123 L1124 K1129 E1130 I1131E906-K1127 IonicContact OE1-NZ 2.71Å; E906-K1127 PolarHBondContact OE1-NZ 2.68Å; A907-K1127 HydrophobicContact CB-CB 3.85Å; A907-K1127 HydrophobicContact CB-CD 4.15Å; K1123-K1127 PolarHBondContact O-N 2.87Å; K1123-K1127 VanDerWaalsContact O-N 3.16Å; L1124-K1127 PolarHBondContact O-N 3.12Å; K1127-K1129 VanDerWaalsContact C-N 3.25Å; K1127-K1129 PolarHBondContact O-N 2.93Å; K1127-E1130 PolarHBondContact O-N 3.22Å; K1127-I1131 WeakPolarHBondContact O-CD1 3.28Å; K1127-I1131 WeakPolarHBondContact O-CG1 3.01Å; K1127-I1131 PolarHBondContact O-N 3.16Å
1128H93.3Very high89.8Confident6 Ų673.3 Ų73.33%0.02835%0.346CS..Hα-helixtrans-60.1-34.3176.4-72.8-179.1000112.9Q1050 Q1053 L1124 V1125 E1126 R1132Q1050-H1128 HydrophobicContact CG-CB 4.04Å; Q1050-H1128 PolarHBondContact NE2-O 3.04Å; Q1053-H1128 PolarHBondContact OE1-NE2 3.4Å; L1124-H1128 WeakPolarHBondContact O-CB 3.12Å; L1124-H1128 PolarHBondContact O-CD2 2.66Å; L1124-H1128 PolarHBondContact O-N 2.94Å; V1125-H1128 WeakPolarHBondContact O-CB 3.27Å; V1125-H1128 PolarHBondContact O-N 3.49Å; E1126-H1128 VanDerWaalsContact C-N 3.31Å; E1126-H1128 PolarHBondContact O-N 3.47Å; H1128-R1132 WeakPolarHBondContact O-CD 3.27Å; H1128-R1132 VanDerWaalsContact O-CG 3.28Å; H1128-R1132 WeakPolarHBondContact O-CG 3.45Å; H1128-R1132 PolarHBondContact O-N 2.87Å; H1128-R1132 VanDerWaalsContact O-N 3.17Å
1129K90.5Very high89.7Confident115 Ų11574.8 Ų74.850%0.535%0.345SS..Hα-helixtrans-76.2-39.2176.9171.7177.9159-129.80112.5V1125 E1126 K1127 R1132 Q1133V1125-K1129 WeakPolarHBondContact O-CB 3.4Å; V1125-K1129 PolarHBondContact O-N 2.85Å; E1126-K1129 WeakPolarHBondContact O-CB 3.46Å; E1126-K1129 PolarHBondContact O-N 3.15Å; E1126-K1129 VanDerWaalsContact O-N 3.08Å; E1126-K1129 IonicContact OE1-NZ 3.45Å; E1126-K1129 PolarHBondContact OE1-NZ 3.11Å; E1126-K1129 IonicContact OE2-NZ 3.67Å; E1126-K1129 PolarHBondContact OE2-NZ 3.35Å; K1127-K1129 VanDerWaalsContact C-N 3.25Å; K1127-K1129 PolarHBondContact O-N 2.93Å; K1129-R1132 PolarHBondContact O-N 3.3Å; K1129-Q1133 PolarHBondContact O-N 3.25Å
1130E91.2Very high89.6Confident102 Ų10272.5 Ų72.548%0.47734%0.343SS..Hα-helixtrans-57.2-48.3170.7-69.3171.5164.300111.3E1126 K1127 R1132 Q1133 Q1134E1126-E1130 WeakPolarHBondContact O-CG 3.48Å; E1126-E1130 PolarHBondContact O-N 3.35Å; K1127-E1130 PolarHBondContact O-N 3.22Å; E1130-R1132 PolarHBondContact O-N 2.83Å; E1130-Q1133 PolarHBondContact O-N 2.62Å; E1130-Q1134 WeakPolarHBondContact O-CG 3.44Å; E1130-Q1134 PolarHBondContact O-N 2.77Å
1131I91.4Very high89.7Confident19 Ų1976.5 Ų76.510%0.09736%0.361CS..Hα-helixtrans-61.1-42.7177.6-67.7157.1000111.4A907 Q908 I910 L913 K1127 Q1133 Q1134 I1135A907-I1131 HydrophobicContact CB-CD1 3.71Å; Q908-I1131 WeakPolarHBondContact O-CD1 3.08Å; I910-I1131 HydrophobicContact CG1-CG2 3.97Å; L913-I1131 HydrophobicContact CD1-CG2 3.98Å; K1127-I1131 WeakPolarHBondContact O-CD1 3.28Å; K1127-I1131 WeakPolarHBondContact O-CG1 3.01Å; K1127-I1131 PolarHBondContact O-N 3.16Å; I1131-Q1133 PolarHBondContact O-N 3.09Å; I1131-Q1134 PolarHBondContact O-N 3.23Å; I1131-I1135 HydrophobicContact CG2-CD1 3.98Å; I1131-I1135 WeakPolarHBondContact O-CG1 3.31Å; I1131-I1135 PolarHBondContact O-N 3.4Å
1132R88.5Confident89.6Confident83 Ų8375.6 Ų75.631%0.31336%0.358SS..Hα-helixtrans-60.5-42.9175.2-77.1165.6176.9-102-3.6112.1E1047 Q1050 H1128 K1129 E1130 I1135 L1136E1047-R1132 IonicContact OE1-CZ 2.88Å; E1047-R1132 IonicContact OE1-NH1 3.59Å; E1047-R1132 PolarHBondContact OE1-NH1 2.97Å; E1047-R1132 IonicContact OE1-NH2 2.95Å; E1047-R1132 PolarHBondContact OE1-NH2 2.75Å; Q1050-R1132 VanDerWaalsContact OE1-NH2 3.1Å; H1128-R1132 WeakPolarHBondContact O-CD 3.27Å; H1128-R1132 VanDerWaalsContact O-CG 3.28Å; H1128-R1132 WeakPolarHBondContact O-CG 3.45Å; H1128-R1132 PolarHBondContact O-N 2.87Å; H1128-R1132 VanDerWaalsContact O-N 3.17Å; K1129-R1132 PolarHBondContact O-N 3.3Å; E1130-R1132 PolarHBondContact O-N 2.83Å; R1132-I1135 PolarHBondContact O-N 2.73Å; R1132-L1136 WeakPolarHBondContact O-CG 3.35Å; R1132-L1136 PolarHBondContact O-N 3.14Å; R1132-L1136 VanDerWaalsContact O-N 3.12Å
1133Q89.7Confident89.5Confident100 Ų10073.4 Ų73.447%0.46735%0.348SS..Hα-helixtrans-64-44.8178.3-172.359.853.100111.1K1129 E1130 I1131 I1135 L1136 D1137K1129-Q1133 PolarHBondContact O-N 3.25Å; E1130-Q1133 PolarHBondContact O-N 2.62Å; I1131-Q1133 PolarHBondContact O-N 3.09Å; Q1133-I1135 VanDerWaalsContact C-N 3.31Å; Q1133-I1135 PolarHBondContact O-N 3.34Å; Q1133-L1136 WeakPolarHBondContact O-CB 3.41Å; Q1133-L1136 PolarHBondContact O-N 3.33Å; Q1133-L1136 VanDerWaalsContact O-N 3.09Å; Q1133-D1137 PolarHBondContact NE2-OD1 3.07Å; Q1133-D1137 PolarHBondContact O-N 3.26Å
1134Q91.3Very high89.6Confident102 Ų10270.7 Ų70.748%0.47734%0.344SS..Hα-helixtrans-58.2-41176.5-70.617117.100112.5I910 E1130 I1131 D1137 E1138I910-Q1134 HydrophobicContact CD1-CB 3.55Å; E1130-Q1134 WeakPolarHBondContact O-CG 3.44Å; E1130-Q1134 PolarHBondContact O-N 2.77Å; I1131-Q1134 PolarHBondContact O-N 3.23Å; Q1134-D1137 PolarHBondContact O-N 3.12Å; Q1134-E1138 PolarHBondContact O-N 3.3Å; Q1134-E1138 VanDerWaalsContact O-N 3.12Å
1135I91.3Very high89.6Confident1 Ų176.1 Ų76.11%0.00537%0.37CS..Hα-helixtrans-63.3-39.6175-67.7164.9000111.7I910 L913 I1039 L1042 A1046 I1131 R1132 Q1133 D1137I910-I1135 HydrophobicContact CD1-CG1 4.02Å; I910-I1135 HydrophobicContact CG1-CG1 4.23Å; L913-I1135 HydrophobicContact CD1-CD1 4.43Å; I1039-I1135 HydrophobicContact CG2-CG2 4.43Å; L1042-I1135 HydrophobicContact CB-CG2 4.43Å; L1042-I1135 HydrophobicContact CD2-CD1 4.5Å; L1042-I1135 HydrophobicContact CD2-CG1 4.05Å; L1042-I1135 HydrophobicContact CD2-CG2 4.13Å; L1042-I1135 HydrophobicContact CG-CD1 4.12Å; L1042-I1135 HydrophobicContact CG-CG1 4.21Å; L1042-I1135 HydrophobicContact CG-CG2 4.19Å; A1046-I1135 HydrophobicContact CB-CD1 3.82Å; I1131-I1135 HydrophobicContact CG2-CD1 3.98Å; I1131-I1135 WeakPolarHBondContact O-CG1 3.31Å; I1131-I1135 PolarHBondContact O-N 3.4Å; R1132-I1135 PolarHBondContact O-N 2.73Å; Q1133-I1135 VanDerWaalsContact C-N 3.31Å; Q1133-I1135 PolarHBondContact O-N 3.34Å; I1135-D1137 VanDerWaalsContact C-N 3.35Å
1136L86.3Confident89.7Confident93 Ų9373.7 Ų73.749%0.48735%0.354SS..Hα-helixtrans-67.4-36.5175-67.1172.1000111.9R1132 Q1133 E1138 K1139 P1140R1132-L1136 WeakPolarHBondContact O-CG 3.35Å; R1132-L1136 PolarHBondContact O-N 3.14Å; R1132-L1136 VanDerWaalsContact O-N 3.12Å; Q1133-L1136 WeakPolarHBondContact O-CB 3.41Å; Q1133-L1136 PolarHBondContact O-N 3.33Å; Q1133-L1136 VanDerWaalsContact O-N 3.09Å; L1136-E1138 VanDerWaalsContact C-N 3.33Å; L1136-E1138 PolarHBondContact O-N 3.48Å; L1136-K1139 WeakPolarHBondContact O-CB 3.4Å; L1136-K1139 PolarHBondContact O-N 3.2Å; L1136-P1140 VanDerWaalsContact O-CD 3.26Å; L1136-P1140 WeakPolarHBondContact O-CD 3.38Å
1137D89.2Confident89.6Confident66 Ų6674.2 Ų74.235%0.35336%0.357SS..Hα-helixtrans-74.4-15.7-180-64.3-14.1000113.8Q1133 Q1134 I1135 K1141Q1133-D1137 PolarHBondContact NE2-OD1 3.07Å; Q1133-D1137 PolarHBondContact O-N 3.26Å; Q1134-D1137 PolarHBondContact O-N 3.12Å; I1135-D1137 VanDerWaalsContact C-N 3.35Å; D1137-K1141 VanDerWaalsContact O-CD 3.29Å; D1137-K1141 WeakPolarHBondContact O-CD 3.24Å; D1137-K1141 WeakPolarHBondContact O-CE 3.47Å; D1137-K1141 WeakPolarHBondContact O-CG 3.45Å
1138E87.9Confident89.7Confident48 Ų4874.6 Ų74.622%0.22436%0.36CS..Hα-helixtrans-69.6-36.5169.9-74.3-169.5173.600112.1K914 I1039 Q1134 L1136 K1141 L1142K914-E1138 WeakPolarHBondContact CE-OE2 3.47Å; K914-E1138 IonicContact NZ-OE1 2.74Å; K914-E1138 PolarHBondContact NZ-OE1 3.42Å; K914-E1138 IonicContact NZ-OE2 3.89Å; K914-E1138 PolarHBondContact NZ-OE2 2.75Å; I1039-E1138 HydrophobicContact CD1-CB 3.84Å; Q1134-E1138 PolarHBondContact O-N 3.3Å; Q1134-E1138 VanDerWaalsContact O-N 3.12Å; L1136-E1138 VanDerWaalsContact C-N 3.33Å; L1136-E1138 PolarHBondContact O-N 3.48Å; E1138-K1141 PolarHBondContact O-N 2.7Å; E1138-L1142 HydrophobicContact CB-CD1 4.42Å; E1138-L1142 WeakPolarHBondContact O-CG 3.17Å; E1138-L1142 PolarHBondContact O-N 3.02Å
1139K85.3Confident89.7Confident88 Ų8876.7 Ų76.738%0.38337%0.37SS..Hα-helixtrans-56.1-50.6-175.5-175.7-179.4173.2-175.60114.6I1039 L1136 Q1143I1039-K1139 HydrophobicContact CD1-CB 4.45Å; I1039-K1139 HydrophobicContact CG1-CB 4.1Å; I1039-K1139 HydrophobicContact CG1-CG 4.49Å; I1039-K1139 HydrophobicContact CG2-CB 4.25Å; I1039-K1139 HydrophobicContact CG2-CD 4.45Å; L1136-K1139 WeakPolarHBondContact O-CB 3.4Å; L1136-K1139 PolarHBondContact O-N 3.2Å; K1139-Q1143 WeakPolarHBondContact O-CG 3.2Å; K1139-Q1143 PolarHBondContact O-N 3.36Å
1140P86.5Confident89.7Confident72 Ų7271.2 Ų71.247%0.46835%0.346SS..Hα-helixtrans-67.6-34.1179.126-34.4000112.5L1136 Q1143 V1144L1136-P1140 VanDerWaalsContact O-CD 3.26Å; L1136-P1140 WeakPolarHBondContact O-CD 3.38Å; P1140-Q1143 PolarHBondContact O-N 3.49Å; P1140-V1144 WeakPolarHBondContact O-CG2 3.25Å; P1140-V1144 PolarHBondContact O-N 3.23Å
1141K89.9Confident89.7Confident118 Ų11870.6 Ų70.651%0.51334%0.343SS..Hα-helixtrans-62.1-54.5178.6-61.7168.3-169.9160.70110.6D1137 E1138 Q1143 V1144 E1145D1137-K1141 VanDerWaalsContact O-CD 3.29Å; D1137-K1141 WeakPolarHBondContact O-CD 3.24Å; D1137-K1141 WeakPolarHBondContact O-CE 3.47Å; D1137-K1141 WeakPolarHBondContact O-CG 3.45Å; E1138-K1141 PolarHBondContact O-N 2.7Å; K1141-Q1143 PolarHBondContact O-N 3.14Å; K1141-V1144 PolarHBondContact O-N 3.08Å; K1141-E1145 WeakPolarHBondContact O-CG 3.14Å; K1141-E1145 PolarHBondContact O-N 3.41Å
1142L89.7Confident89.6Confident62 Ų6272.1 Ų72.133%0.32535%0.352SS..Hα-helixtrans-59.9-29.1177.1-65.9170.9000112.9I1035 I1039 E1138 L1146I1035-L1142 HydrophobicContact CD1-CB 4.16Å; I1035-L1142 HydrophobicContact CG1-CB 4.47Å; I1035-L1142 HydrophobicContact CG2-CB 3.94Å; I1035-L1142 HydrophobicContact CG2-CD1 4.16Å; I1039-L1142 HydrophobicContact CD1-CD1 4.3Å; E1138-L1142 HydrophobicContact CB-CD1 4.42Å; E1138-L1142 WeakPolarHBondContact O-CG 3.17Å; E1138-L1142 PolarHBondContact O-N 3.02Å; L1142-L1146 VanDerWaalsContact O-CB 3.25Å; L1142-L1146 WeakPolarHBondContact O-CB 3.23Å; L1142-L1146 PolarHBondContact O-N 3.08Å; L1142-L1146 VanDerWaalsContact O-N 3.09Å
1143Q86.7Confident89.7Confident60 Ų6069.9 Ų69.928%0.2834%0.344SS..Hα-helixtrans-76.8-35.8175.2-75-174.6-5.200113.2K1139 P1140 K1141 E1147K1139-Q1143 WeakPolarHBondContact O-CG 3.2Å; K1139-Q1143 PolarHBondContact O-N 3.36Å; P1140-Q1143 PolarHBondContact O-N 3.49Å; K1141-Q1143 PolarHBondContact O-N 3.14Å; Q1143-E1147 WeakPolarHBondContact O-CB 3.1Å; Q1143-E1147 PolarHBondContact O-N 3.12Å
1144V90.8Very high89.7Confident102 Ų10267.1 Ų67.162%0.61833%0.33SS*.Hα-helixtrans-70.1-42.8173.6171.10000110.9P1140 K1141 L1146 E1147 Q1148P1140-V1144 WeakPolarHBondContact O-CG2 3.25Å; P1140-V1144 PolarHBondContact O-N 3.23Å; K1141-V1144 PolarHBondContact O-N 3.08Å; V1144-L1146 PolarHBondContact O-N 3.1Å; V1144-E1147 PolarHBondContact O-N 3.44Å; V1144-Q1148 PolarHBondContact O-N 3.39Å
1145E91.3Very high89.5Confident120 Ų12067.9 Ų67.956%0.56133%0.332SS*.Hα-helixtrans-59.1-46174.6-71.4162.4-161.800111.5K1141 E1147 Q1148 E1149K1141-E1145 WeakPolarHBondContact O-CG 3.14Å; K1141-E1145 PolarHBondContact O-N 3.41Å; E1145-E1147 PolarHBondContact O-N 3.39Å; E1145-Q1148 PolarHBondContact O-N 3.05Å; E1145-E1149 WeakPolarHBondContact O-CB 2.98Å; E1145-E1149 PolarHBondContact O-N 3.4Å
1146L92.3Very high89.5Confident13 Ų1375.6 Ų75.67%0.06836%0.361CS..Hα-helixtrans-63.6-38.9175.518066.9000112.9K1031 R1032 I1035 L1142 V1144 Y1150K1031-L1146 HydrophobicContact CB-CD1 3.69Å; K1031-L1146 HydrophobicContact CB-CD2 3.98Å; K1031-L1146 HydrophobicContact CD-CD1 3.53Å; K1031-L1146 HydrophobicContact CG-CD1 4.28Å; R1032-L1146 HydrophobicContact CB-CD2 3.86Å; I1035-L1146 HydrophobicContact CD1-CB 4.24Å; I1035-L1146 HydrophobicContact CD1-CD2 3.87Å; L1142-L1146 VanDerWaalsContact O-CB 3.25Å; L1142-L1146 WeakPolarHBondContact O-CB 3.23Å; L1142-L1146 PolarHBondContact O-N 3.08Å; L1142-L1146 VanDerWaalsContact O-N 3.09Å; V1144-L1146 PolarHBondContact O-N 3.1Å; L1146-Y1150 HydrophobicContact CD1-CD2 3.63Å; L1146-Y1150 HydrophobicContact CD1-CE2 3.54Å; L1146-Y1150 HydrophobicContact CG-CD2 4.4Å; L1146-Y1150 WeakPolarHBondContact O-CD2 3.45Å; L1146-Y1150 PolarHBondContact O-N 3.38Å
1147E89.6Confident89.7Confident99 Ų9971.2 Ų71.246%0.46334%0.338SS..Hα-helixtrans-64.6-44.6178.2-170.457.3-138.300110.5K1028 Q1143 V1144 E1145 Q1151K1028-E1147 WeakPolarHBondContact CE-OE2 3.44Å; K1028-E1147 IonicContact NZ-OE1 2.78Å; K1028-E1147 PolarHBondContact NZ-OE1 2.99Å; K1028-E1147 IonicContact NZ-OE2 2.81Å; K1028-E1147 PolarHBondContact NZ-OE2 3.4Å; Q1143-E1147 WeakPolarHBondContact O-CB 3.1Å; Q1143-E1147 PolarHBondContact O-N 3.12Å; V1144-E1147 PolarHBondContact O-N 3.44Å; E1145-E1147 PolarHBondContact O-N 3.39Å; E1147-Q1151 VanDerWaalsContact O-CB 3.32Å; E1147-Q1151 WeakPolarHBondContact O-CB 3.31Å; E1147-Q1151 PolarHBondContact O-N 3.08Å
1148Q92.1Very high89.6Confident97 Ų9770.7 Ų70.745%0.45334%0.339SS..Hα-helixtrans-63.6-47.4176.2-170.66546.400112.3V1144 E1145 Y1150 Q1151 D1152V1144-Q1148 PolarHBondContact O-N 3.39Å; E1145-Q1148 PolarHBondContact O-N 3.05Å; Q1148-Y1150 VanDerWaalsContact C-N 3.3Å; Q1148-Y1150 PolarHBondContact O-N 3Å; Q1148-Q1151 PolarHBondContact O-N 2.93Å; Q1148-Q1151 VanDerWaalsContact O-N 3.16Å; Q1148-D1152 PolarHBondContact NE2-OD1 2.76Å; Q1148-D1152 PolarHBondContact NE2-OD2 3.15Å; Q1148-D1152 PolarHBondContact O-N 3.29Å
1149E91.8Very high89.6Confident51 Ų5173.6 Ų73.624%0.23836%0.355CS..Hα-helixtrans-50.9-50.7178.9-170.7-150.5149.500111.1K1031 E1145 K1153K1031-E1149 IonicContact NZ-OE1 2.82Å; K1031-E1149 PolarHBondContact NZ-OE1 2.9Å; K1031-E1149 IonicContact NZ-OE2 2.74Å; K1031-E1149 PolarHBondContact NZ-OE2 3.31Å; E1145-E1149 WeakPolarHBondContact O-CB 2.98Å; E1145-E1149 PolarHBondContact O-N 3.4Å; E1149-K1153 HydrophobicContact CG-CD 4.42Å; E1149-K1153 WeakPolarHBondContact O-CG 3.4Å; E1149-K1153 PolarHBondContact O-N 3.1Å; E1149-K1153 VanDerWaalsContact O-N 3.16Å; E1149-K1153 IonicContact OE1-NZ 2.86Å; E1149-K1153 PolarHBondContact OE1-NZ 2.8Å
1150Y91.7Very high89.7Confident0 Ų072.1 Ų72.10%035%0.35CS..Hα-helixtrans-78.6-30.8-178.5-78.3-90.8000112.8Y1024 E1027 K1028 K1031 L1146 Q1148 D1152 K1153 F1154Y1024-Y1150 WeakPolarHBondContact O-CD1 3.29Å; Y1024-Y1150 WeakPolarHBondContact O-CE1 3.5Å; E1027-Y1150 HydrophobicContact CB-CE1 4.04Å; E1027-Y1150 WeakPolarHBondContact CB-OH 3.28Å; E1027-Y1150 PolarHBondContact OE2-OH 3.09Å; K1028-Y1150 HydrophobicContact CB-CD1 3.79Å; K1028-Y1150 HydrophobicContact CB-CD2 4Å; K1028-Y1150 HydrophobicContact CB-CE1 4.1Å; K1028-Y1150 HydrophobicContact CB-CE2 4.3Å; K1028-Y1150 HydrophobicContact CB-CG 3.75Å; K1028-Y1150 HydrophobicContact CD-CD2 4.5Å; K1028-Y1150 HydrophobicContact CD-CG 3.98Å; K1028-Y1150 HydrophobicContact CG-CD1 4.37Å; K1028-Y1150 HydrophobicContact CG-CD2 3.95Å; K1028-Y1150 HydrophobicContact CG-CG 3.83Å; K1031-Y1150 HydrophobicContact CD-CE2 3.7Å; K1031-Y1150 WeakPolarHBondContact CE-OH 3.31Å; K1031-Y1150 PolarHBondContact NZ-OH 2.97Å; K1031-Y1150 VanDerWaalsContact NZ-OH 3.09Å; L1146-Y1150 HydrophobicContact CD1-CD2 3.63Å; L1146-Y1150 HydrophobicContact CD1-CE2 3.54Å; L1146-Y1150 HydrophobicContact CG-CD2 4.4Å; L1146-Y1150 WeakPolarHBondContact O-CD2 3.45Å; L1146-Y1150 PolarHBondContact O-N 3.38Å; Q1148-Y1150 VanDerWaalsContact C-N 3.3Å; Q1148-Y1150 PolarHBondContact O-N 3Å; Y1150-D1152 VanDerWaalsContact C-N 3.28Å; Y1150-D1152 PolarHBondContact O-N 3.41Å; Y1150-K1153 PolarHBondContact O-N 3.02Å; Y1150-F1154 WeakPolarHBondContact O-CB 3.48Å; Y1150-F1154 WeakPolarHBondContact O-CD2 3.39Å; Y1150-F1154 PolarHBondContact O-N 2.9Å
1151Q90.6Very high89.8Confident89 Ų8968.7 Ų68.742%0.41633%0.328SS..Hα-helixtrans-60.5-40.5174.5-157.4-160.457.800111.1E1147 Q1148 K1155E1147-Q1151 VanDerWaalsContact O-CB 3.32Å; E1147-Q1151 WeakPolarHBondContact O-CB 3.31Å; E1147-Q1151 PolarHBondContact O-N 3.08Å; Q1148-Q1151 PolarHBondContact O-N 2.93Å; Q1148-Q1151 VanDerWaalsContact O-N 3.16Å; Q1151-K1155 VanDerWaalsContact O-CG 3.31Å; Q1151-K1155 WeakPolarHBondContact O-CG 3.29Å; Q1151-K1155 PolarHBondContact O-N 3.29Å
1152D89.4Confident89.5Confident51 Ų5165.8 Ų65.827%0.27332%0.317SS..Hα-helixtrans-75.9-33.9178-68.7-30.6000112.9Q1148 Y1150 K1155 R1156Q1148-D1152 PolarHBondContact NE2-OD1 2.76Å; Q1148-D1152 PolarHBondContact NE2-OD2 3.15Å; Q1148-D1152 PolarHBondContact O-N 3.29Å; Y1150-D1152 VanDerWaalsContact C-N 3.28Å; Y1150-D1152 PolarHBondContact O-N 3.41Å; D1152-K1155 PolarHBondContact O-N 2.99Å; D1152-K1155 IonicContact OD1-NZ 3.81Å; D1152-K1155 PolarHBondContact OD1-NZ 2.73Å; D1152-R1156 WeakPolarHBondContact O-CG 3.46Å; D1152-R1156 PolarHBondContact O-N 3.38Å
1153K90.1Very high89.2Confident35 Ų3568.7 Ų68.715%0.15233%0.329CS..Hα-helixtrans-62.7-41.7169.9-74.5176.8176.7177.70112.3Y1024 E1149 Y1150 K1155 R1156 L1157Y1024-K1153 HydrophobicContact CD2-CB 4.05Å; Y1024-K1153 HydrophobicContact CE2-CB 3.79Å; E1149-K1153 HydrophobicContact CG-CD 4.42Å; E1149-K1153 WeakPolarHBondContact O-CG 3.4Å; E1149-K1153 PolarHBondContact O-N 3.1Å; E1149-K1153 VanDerWaalsContact O-N 3.16Å; E1149-K1153 IonicContact OE1-NZ 2.86Å; E1149-K1153 PolarHBondContact OE1-NZ 2.8Å; Y1150-K1153 PolarHBondContact O-N 3.02Å; K1153-K1155 VanDerWaalsContact C-N 3.34Å; K1153-K1155 PolarHBondContact O-N 3.36Å; K1153-R1156 PolarHBondContact O-N 3.41Å; K1153-L1157 WeakPolarHBondContact O-CB 3.34Å; K1153-L1157 PolarHBondContact O-N 2.9Å
1154F89.1Confident89.1Confident42 Ų4268 Ų6818%0.18433%0.325CS..Hα-helixtrans-65.8-31.5175.1-79.8-62.7000113.4Q1021 Y1024 Y1025 Y1150Q1021-F1154 HydrophobicContact CB-CE1 4.25Å; Q1021-F1154 HydrophobicContact CG-CD1 4.38Å; Q1021-F1154 HydrophobicContact CG-CE1 4.21Å; Y1024-F1154 HydrophobicContact CD2-CD1 4.32Å; Y1024-F1154 HydrophobicContact CD2-CE1 4.37Å; Y1025-F1154 HydrophobicContact CD1-CE2 4.15Å; Y1025-F1154 AromaticContact CD1-CZ 3.64Å; Y1025-F1154 HydrophobicContact CD1-CZ 3.64Å; Y1025-F1154 HydrophobicContact CD2-CE1 4.11Å; Y1025-F1154 AromaticContact CD2-CZ 3.86Å; Y1025-F1154 HydrophobicContact CD2-CZ 3.86Å; Y1025-F1154 HydrophobicContact CE1-CE1 4.36Å; Y1025-F1154 AromaticContact CE1-CE2 3.97Å; Y1025-F1154 HydrophobicContact CE1-CE2 3.97Å; Y1025-F1154 AromaticContact CE1-CZ 3.61Å; Y1025-F1154 HydrophobicContact CE1-CZ 3.61Å; Y1025-F1154 AromaticContact CE2-CE1 3.85Å; Y1025-F1154 HydrophobicContact CE2-CE1 3.85Å; Y1025-F1154 AromaticContact CE2-CZ 3.83Å; Y1025-F1154 HydrophobicContact CE2-CZ 3.83Å; Y1025-F1154 HydrophobicContact CG-CE1 4.46Å; Y1025-F1154 AromaticContact CG-CZ 3.75Å; Y1025-F1154 HydrophobicContact CG-CZ 3.75Å; Y1025-F1154 AromaticContact CZ-CE1 3.98Å; Y1025-F1154 AromaticContact CZ-CZ 3.7Å; Y1150-F1154 WeakPolarHBondContact O-CB 3.48Å; Y1150-F1154 WeakPolarHBondContact O-CD2 3.39Å; Y1150-F1154 PolarHBondContact O-N 2.9Å
1155K88.9Confident88.8Confident119 Ų11963.2 Ų63.252%0.51730%0.296SS..Hα-helixtrans-68.4-37.5176-71.7166.5-158.2160.90113.1Q1151 D1152 K1153Q1151-K1155 VanDerWaalsContact O-CG 3.31Å; Q1151-K1155 WeakPolarHBondContact O-CG 3.29Å; Q1151-K1155 PolarHBondContact O-N 3.29Å; D1152-K1155 PolarHBondContact O-N 2.99Å; D1152-K1155 IonicContact OD1-NZ 3.81Å; D1152-K1155 PolarHBondContact OD1-NZ 2.73Å; K1153-K1155 VanDerWaalsContact C-N 3.34Å; K1153-K1155 PolarHBondContact O-N 3.36Å
1156R89.9Confident88.2Confident162 Ų16261.6 Ų61.661%0.61129%0.289SS*.Hα-helixtrans-81.4-34.8-176.4-64.2177.5-168.91725.4113.2D1152 K1153 P1158 L1159 E1160D1152-R1156 WeakPolarHBondContact O-CG 3.46Å; D1152-R1156 PolarHBondContact O-N 3.38Å; K1153-R1156 PolarHBondContact O-N 3.41Å; R1156-P1158 VanDerWaalsContact O-N 3.12Å; R1156-L1159 WeakPolarHBondContact O-CB 3.44Å; R1156-L1159 PolarHBondContact O-N 2.8Å; R1156-E1160 HydrophobicContact CB-CG 4.48Å; R1156-E1160 WeakPolarHBondContact CB-OE1 3.24Å; R1156-E1160 PolarHBondContact O-N 3.12Å
1157L90.3Very high87.4Confident1 Ų167.3 Ų67.31%0.00532%0.315CS..Hα-helixtrans-49.3-39.1-171.1-173.964.7000116.6L1017 R1020 Q1021 Y1024 K1153 L1159 I1161L1017-L1157 HydrophobicContact CD1-CD2 4.15Å; L1017-L1157 HydrophobicContact CD1-CG 4.07Å; R1020-L1157 HydrophobicContact CB-CD1 3.7Å; R1020-L1157 HydrophobicContact CB-CD2 3.71Å; R1020-L1157 HydrophobicContact CB-CG 4.2Å; R1020-L1157 HydrophobicContact CG-CD1 4.29Å; Q1021-L1157 HydrophobicContact CG-CD2 3.83Å; Y1024-L1157 HydrophobicContact CD2-CD2 3.94Å; Y1024-L1157 HydrophobicContact CE2-CB 4.13Å; Y1024-L1157 HydrophobicContact CE2-CD1 3.9Å; Y1024-L1157 HydrophobicContact CE2-CD2 3.91Å; Y1024-L1157 HydrophobicContact CE2-CG 4.2Å; K1153-L1157 WeakPolarHBondContact O-CB 3.34Å; K1153-L1157 PolarHBondContact O-N 2.9Å; L1157-L1159 VanDerWaalsContact C-N 3.29Å; L1157-L1159 PolarHBondContact O-N 2.86Å; L1157-I1161 HydrophobicContact CD1-CD1 3.7Å; L1157-I1161 HydrophobicContact CD1-CG1 4.15Å; L1157-I1161 HydrophobicContact CG-CD1 3.89Å; L1157-I1161 WeakPolarHBondContact O-CG1 3.43Å; L1157-I1161 PolarHBondContact O-N 3.1Å
1158P88.1Confident86.4Confident56 Ų5664.7 Ų64.736%0.36431%0.31SS..Hα-helixtrans-65.1-30.7178-21.834.8000113.7L1017 R1156 L1162L1017-P1158 HydrophobicContact CD1-CG 4.3Å; R1156-P1158 VanDerWaalsContact O-N 3.12Å; P1158-L1162 WeakPolarHBondContact O-CB 3.23Å; P1158-L1162 PolarHBondContact O-N 3.17Å
1159L87Confident84.9Confident108 Ų10862.6 Ų62.657%0.56530%0.301SS*.Hα-helixtrans-77.3-47.3177.2-63.4172.9000110.6R1156 L1157 I1161 L1162 E1163R1156-L1159 WeakPolarHBondContact O-CB 3.44Å; R1156-L1159 PolarHBondContact O-N 2.8Å; L1157-L1159 VanDerWaalsContact C-N 3.29Å; L1157-L1159 PolarHBondContact O-N 2.86Å; L1159-I1161 PolarHBondContact O-N 3.06Å; L1159-I1161 VanDerWaalsContact O-N 3.16Å; L1159-L1162 PolarHBondContact O-N 3.44Å; L1159-E1163 WeakPolarHBondContact O-CG 3.28Å; L1159-E1163 PolarHBondContact O-N 3.38Å
1160E88.1Confident83.4Confident57 Ų5766.7 Ų66.727%0.26632%0.318SS..Hα-helixtrans-50.5-42176.1-65.2168.4-163.400111.9R1020 R1156 F1164R1020-E1160 IonicContact NH2-OE2 3.6Å; R1156-E1160 HydrophobicContact CB-CG 4.48Å; R1156-E1160 WeakPolarHBondContact CB-OE1 3.24Å; R1156-E1160 PolarHBondContact O-N 3.12Å; E1160-F1164 WeakPolarHBondContact O-CB 3.19Å; E1160-F1164 PolarHBondContact O-N 3.04Å
1161I88.4Confident81.6Confident1 Ų168.8 Ų68.81%0.00534%0.34CS..Hα-helixtrans-78.8-35.1-178.5-70.2175.2000112.3Q1013 L1016 L1017 R1020 L1157 L1159 V1165Q1013-I1161 HydrophobicContact CG-CG2 3.97Å; L1016-I1161 HydrophobicContact CB-CG2 4.19Å; L1016-I1161 HydrophobicContact CD2-CG2 4.11Å; L1016-I1161 HydrophobicContact CG-CD1 4.16Å; L1016-I1161 HydrophobicContact CG-CG1 4.27Å; L1016-I1161 HydrophobicContact CG-CG2 4.09Å; L1017-I1161 VanDerWaalsContact CA-CD1 3.49Å; L1017-I1161 HydrophobicContact CB-CD1 4.15Å; L1017-I1161 HydrophobicContact CD1-CD1 4.06Å; R1020-I1161 HydrophobicContact CB-CD1 3.97Å; R1020-I1161 HydrophobicContact CG-CD1 4Å; L1157-I1161 HydrophobicContact CD1-CD1 3.7Å; L1157-I1161 HydrophobicContact CD1-CG1 4.15Å; L1157-I1161 HydrophobicContact CG-CD1 3.89Å; L1157-I1161 WeakPolarHBondContact O-CG1 3.43Å; L1157-I1161 PolarHBondContact O-N 3.1Å; L1159-I1161 PolarHBondContact O-N 3.06Å; L1159-I1161 VanDerWaalsContact O-N 3.16Å; I1161-V1165 WeakPolarHBondContact O-CB 3.43Å; I1161-V1165 VanDerWaalsContact O-CG2 3.32Å; I1161-V1165 WeakPolarHBondContact O-CG2 3.49Å; I1161-V1165 PolarHBondContact O-N 3.11Å; I1161-V1165 VanDerWaalsContact O-N 3.07Å
1162L83.3Confident79.8Confident56 Ų5667.9 Ų67.929%0.29334%0.335SS..Hα-helixtrans-64.8-41.4173.7175.862.8000111.3P1158 L1159 Q1166P1158-L1162 WeakPolarHBondContact O-CB 3.23Å; P1158-L1162 PolarHBondContact O-N 3.17Å; L1159-L1162 PolarHBondContact O-N 3.44Å; L1162-Q1166 VanDerWaalsContact CD1-NE2 3.34Å; L1162-Q1166 VanDerWaalsContact O-CG 3.28Å; L1162-Q1166 WeakPolarHBondContact O-CG 3.5Å; L1162-Q1166 PolarHBondContact O-N 3.41Å
1163E84.6Confident77.8Confident124 Ų12471.1 Ų71.158%0.57935%0.351SS*.Hα-helixtrans-65.6-51.3176.2-71175.4166.100110.9L1159 V1165 Q1166 E1167L1159-E1163 WeakPolarHBondContact O-CG 3.28Å; L1159-E1163 PolarHBondContact O-N 3.38Å; E1163-V1165 PolarHBondContact O-N 2.94Å; E1163-Q1166 WeakPolarHBondContact O-CB 3.49Å; E1163-Q1166 PolarHBondContact O-N 3.26Å; E1163-E1167 PolarHBondContact O-N 3.47Å
1164F84.9Confident75.4Confident46 Ų4673.6 Ų73.620%0.20237%0.372CS..Hα-helixtrans-54.2-46.7177.6176.8-98000113.3I945 L1016 E1160 Q1166 E1167 A1168 L1216I945-F1164 HydrophobicContact CD1-CE1 3.99Å; I945-F1164 HydrophobicContact CD1-CZ 3.82Å; I945-F1164 HydrophobicContact CG1-CE1 4.37Å; L1016-F1164 HydrophobicContact CD2-CD1 3.68Å; L1016-F1164 HydrophobicContact CD2-CE1 3.83Å; E1160-F1164 WeakPolarHBondContact O-CB 3.19Å; E1160-F1164 PolarHBondContact O-N 3.04Å; F1164-Q1166 VanDerWaalsContact C-N 3.31Å; F1164-Q1166 PolarHBondContact O-N 3.13Å; F1164-E1167 PolarHBondContact O-N 2.79Å; F1164-A1168 WeakPolarHBondContact O-CB 3.49Å; F1164-A1168 PolarHBondContact O-N 2.71Å; F1164-L1216 HydrophobicContact CB-CD1 3.98Å; F1164-L1216 HydrophobicContact CD2-CB 3.65Å; F1164-L1216 HydrophobicContact CD2-CD1 4.16Å; F1164-L1216 HydrophobicContact CD2-CG 4.34Å; F1164-L1216 HydrophobicContact CE2-CB 3.84Å; F1164-L1216 HydrophobicContact CG-CB 4.37Å; F1164-L1216 HydrophobicContact CG-CD1 4.06Å
1165V82.9Confident73.1Confident1 Ų179.5 Ų79.51%0.00640%0.401CS..Hα-helixtrans-67.9-30.6178.8173.70000111.7K1009 Q1013 L1016 I1161 E1163 M1169K1009-V1165 HydrophobicContact CD-CG1 4.49Å; K1009-V1165 HydrophobicContact CG-CG1 3.59Å; Q1013-V1165 HydrophobicContact CB-CG2 4.39Å; L1016-V1165 HydrophobicContact CD2-CG2 4.46Å; I1161-V1165 WeakPolarHBondContact O-CB 3.43Å; I1161-V1165 VanDerWaalsContact O-CG2 3.32Å; I1161-V1165 WeakPolarHBondContact O-CG2 3.49Å; I1161-V1165 PolarHBondContact O-N 3.11Å; I1161-V1165 VanDerWaalsContact O-N 3.07Å; E1163-V1165 PolarHBondContact O-N 2.94Å; V1165-M1169 WeakPolarHBondContact O-CG 2.96Å
1166Q78.4Confident70.7Confident85 Ų8580.2 Ų80.240%0.39741%0.41SS..Hα-helixtrans-72.9-41.8174-74.6-179.943.200113L1162 E1163 F1164 M1169 K1170L1162-Q1166 VanDerWaalsContact CD1-NE2 3.34Å; L1162-Q1166 VanDerWaalsContact O-CG 3.28Å; L1162-Q1166 WeakPolarHBondContact O-CG 3.5Å; L1162-Q1166 PolarHBondContact O-N 3.41Å; E1163-Q1166 WeakPolarHBondContact O-CB 3.49Å; E1163-Q1166 PolarHBondContact O-N 3.26Å; F1164-Q1166 VanDerWaalsContact C-N 3.31Å; F1164-Q1166 PolarHBondContact O-N 3.13Å; Q1166-M1169 PolarHBondContact O-N 3.11Å; Q1166-K1170 PolarHBondContact O-N 3.45Å; Q1166-K1170 VanDerWaalsContact O-N 3.17Å
1167E76.1Confident68Low134 Ų13476.1 Ų76.163%0.62641%0.407SS*.Hα-helixtrans-66.3-39.8178.4-65.9-157.5136.800112.3E1163 F1164 M1169 K1170 G1171E1163-E1167 PolarHBondContact O-N 3.47Å; F1164-E1167 PolarHBondContact O-N 2.79Å; E1167-M1169 PolarHBondContact O-N 2.6Å; E1167-M1169 VanDerWaalsContact O-N 3.11Å; E1167-K1170 PolarHBondContact O-N 2.98Å; E1167-K1170 VanDerWaalsContact O-N 3.1Å; E1167-G1171 PolarHBondContact O-N 3.07Å
1168A67.9Low65.2Low44 Ų4483 Ų8336%0.36444%0.444SS..Hα-helixtrans-58.6-23.2175.100000113.8F1164F1164-A1168 WeakPolarHBondContact O-CB 3.49Å; F1164-A1168 PolarHBondContact O-N 2.71Å
1169M61.5Low62.4Low52 Ų5290.5 Ų90.526%0.25647%0.473SS..Hα-helixtrans-89.7-36.1173.6-62.2-168.590.800113K1009 V1165 Q1166 E1167 G1171 K1172 I1173K1009-M1169 HydrophobicContact CB-SD 4.33Å; K1009-M1169 HydrophobicContact CD-SD 3.78Å; K1009-M1169 HydrophobicContact CG-SD 3.8Å; V1165-M1169 WeakPolarHBondContact O-CG 2.96Å; Q1166-M1169 PolarHBondContact O-N 3.11Å; E1167-M1169 PolarHBondContact O-N 2.6Å; E1167-M1169 VanDerWaalsContact O-N 3.11Å; M1169-G1171 VanDerWaalsContact C-N 3.28Å; M1169-G1171 PolarHBondContact O-N 2.8Å; M1169-K1172 PolarHBondContact O-N 3.48Å; M1169-I1173 WeakPolarHBondContact O-CG1 3.4Å; M1169-I1173 PolarHBondContact O-N 3.21Å
1170K59.2Low59.5Low137 Ų13788 Ų8860%0.59647%0.473SS*.Hα-helixtrans-57-41.2175.6-72.7175.7-175.2166.60112Q1166 E1167Q1166-K1170 PolarHBondContact O-N 3.45Å; Q1166-K1170 VanDerWaalsContact O-N 3.17Å; E1167-K1170 PolarHBondContact O-N 2.98Å; E1167-K1170 VanDerWaalsContact O-N 3.1Å
1171G54Low56.6Low45 Ų4591 Ų9146%0.46450%0.501SS..Hα-helixtrans-60.6-44176.300000113.2E1167 M1169 S1174E1167-G1171 PolarHBondContact O-N 3.07Å; M1169-G1171 VanDerWaalsContact C-N 3.28Å; M1169-G1171 PolarHBondContact O-N 2.8Å; G1171-S1174 PolarHBondContact O-N 3.29Å
1172K54.8Low53.7Low69 Ų6995.3 Ų95.330%0.354%0.536SS..Hα-helixtrans-76-32.5-175.5-66.3-176.7179.9-176.50113.9Y952 M1169 S1174 E1175Y952-K1172 HydrophobicContact CE1-CD 4.19Å; M1169-K1172 PolarHBondContact O-N 3.48Å; K1172-S1174 PolarHBondContact O-N 3.43Å; K1172-E1175 PolarHBondContact O-N 3.27Å
1173I46.2Very low52Low119 Ų11997.7 Ų97.761%0.6156%0.555SS**Hα-helixtrans-67.4-20.9175.3-66.3167.2000111.4M1169M1169-I1173 WeakPolarHBondContact O-CG1 3.4Å; M1169-I1173 PolarHBondContact O-N 3.21Å
1174S39.6Very low49.3Very low87 Ų8799.4 Ų99.461%0.60857%0.567SS**THydrogen-bonded Turntrans-85.5-10.5-177.8-1690000115.1G1171 K1172G1171-S1174 PolarHBondContact O-N 3.29Å; K1172-S1174 PolarHBondContact O-N 3.43Å
1175E40.3Very low46.7Very low166 Ų166101.8 Ų101.878%0.77659%0.59SS**THydrogen-bonded Turntrans-92.1-33.1-176.6-67.8-166.7126.300113.3K1172 S1177K1172-E1175 PolarHBondContact O-N 3.27Å; E1175-S1177 PolarHBondContact O-N 2.65Å
1176D40Very low44.1Very low134 Ų134108.9 Ų108.972%0.71763%0.627SS**SBendtrans-76.71.6179.2-89.8-30.7000113.9Q956Q956-D1176 PolarHBondContact NE2-OD2 3.08Å; Q956-D1176 VanDerWaalsContact NE2-OD2 3.17Å
1177S33.6Very low41.6Very low77 Ų77109.8 Ų109.854%0.53864%0.642SS.*SBendtrans-12341.2-170.879.60000115.9E1175E1175-S1177 PolarHBondContact O-N 2.65Å
1178N30.8Very low39.4Very low146 Ų146108.4 Ų108.478%0.78165%0.647SS**  trans-159.791.9160.8-109.6-35.6000116.4
1179H29.3Very low37.8Very low213 Ų213113.7 Ų113.799%0.98667%0.67SS**  trans-94.397.1150.8-91-31.7000108.9
1180G26.5Very low37.1Very low55 Ų55116.7 Ų116.757%0.56769%0.693SS**  trans176.776.3-178.400000116.7
1181S27.3Very low35.6Very low121 Ų121113.8 Ų113.885%0.84670%0.702SS**  trans25.1106.6154.356.50000120.5
1182A26.3Very low34.7Very low90 Ų90121.4 Ų121.474%0.74472%0.722SS**  trans-41.6-177.7143.500000115.6
1183P47.6Very low33.4Very low106 Ų106124.5 Ų124.569%0.68875%0.746SS**  cis-142.9-162.93.329.4-2.6000115.8
1184L27.5Very low32.5Very low161 Ų161124.8 Ų124.884%0.84375%0.749SS**  trans82.7143.9158.7-56.9172.2000117.8
1185S30.1Very low31.8Very low96 Ų96128.4 Ų128.467%0.67176%0.756SS**  cis-168.7-172.4-12.4570000109.2
1186L28.9Very low30.9Very low150 Ų150129.1 Ų129.179%0.78576%0.757SS**  cis-163.61779.3-139.4173.7000109.7
1187S26.9Very low30.1Very low103 Ų103128.6 Ų128.672%0.7276%0.758SS**  trans76.6139.8160.773.50000119.1
1188S29.8Very low30.5Very low105 Ų105130 Ų13073%0.73477%0.766SS**  cis-169.8120.2-19.3470000108.1
1189D34.8Very low30.4Very low155 Ų155128 Ų12883%0.82976%0.763SS**  61.2142.686.1-142.850.9000113.9
1190P46Very low30.2Very low116 Ų116122.3 Ų122.375%0.75375%0.747SS**  cis-140.9-178.320.445.2-27.4000118.1
1191G26.4Very low30.2Very low75 Ų75128.5 Ų128.577%0.77376%0.762SS**  trans127.1130.6140.600000119.4
1192K35.3Very low30.2Very low205 Ų205130.7 Ų130.789%0.89176%0.759SS**  trans-131.9147.3167.4-89.1-175.7175.3177.10110.4
1193V27.6Very low30.4Very low134 Ų134134 Ų13481%0.81276%0.763SS**  trans173.1156133.2147.90000111.2
1194N27.3Very low29.2Very low125 Ų125132.8 Ų132.867%0.66877%0.769SS**  trans-25.5150.3173.2-46.3-17.5000117.1
1195H25.2Very low29.2Very low164 Ų164128.8 Ų128.876%0.75977%0.767SS**  -168146.552.7-106.1-71.5000114.3
1196K22.5Very low29.1Very low180 Ų180131.7 Ų131.778%0.78378%0.775SS**  trans41.5152.7135.2-122.1-175.4-176-173.90123.8
1197T23.3Very low29.2Very low123 Ų123131.5 Ų131.576%0.75577%0.774SS**  trans82.1159.8153.324.70000119
1198P42.1Very low29.4Very low107 Ų107132.5 Ų132.570%0.69578%0.777SS**  -142.1-176-129.441.2-18.3000118.9
1199S27Very low29.5Very low104 Ų104130.4 Ų130.473%0.72777%0.773SS**  trans66.5161.7141.364.70000124
1200S26.1Very low29.2Very low93 Ų93131.9 Ų131.965%0.6577%0.772SS**  trans74.2123.7155.743.40000121.4
1201E25.7Very low28.8Very low185 Ų185133.1 Ų133.186%0.86477%0.768SS**  trans66.6153.3149.9-73.6147.7-162.200118.1
1202E27.4Very low29.3Very low168 Ų168133.5 Ų133.579%0.78575%0.748SS**  cis-144.5-169.414.1-143.4-172.8171.800113.8
1203L30Very low29.3Very low160 Ų160129.3 Ų129.384%0.83874%0.735SS**  trans-50.4153.2-173.1-64.6153.1000117.7
1204G23.9Very low29.7Very low79 Ų79125.6 Ų125.681%0.81471%0.713SS**  trans-173.322177.900000122.9
1205G26.5Very low30.1Very low78 Ų78125 Ų12580%0.80472%0.716SS**  trans53.795.3161.100000120.5
1206D27.9Very low30.7Very low157 Ų157121.5 Ų121.584%0.8470%0.703SS**  trans-83.2127.1173.4-108.9-38.2000113.6
1207I31Very low31.1Very low146 Ų146118.6 Ų118.675%0.74970%0.699SS**  trans-89.6128.6170.1-60.8171.5000108.7G1209I1207-G1209 PolarHBondContact O-N 3.07Å
1208P31.6Very low31.5Very low123 Ų123118.4 Ų118.480%0.79970%0.696SS**SBendtrans-77.964.6-179.733.6-36.5000112
1209G31.1Very low30.9Very low62 Ų62119 Ų11964%0.63970%0.696SS**  trans-143.241.7-172.700000113.7I1207I1207-G1209 PolarHBondContact O-N 3.07Å
1210K29.1Very low31.1Very low185 Ų185119.9 Ų119.980%0.80469%0.694SS**  trans-115.2125169.5-78.6178.5177.1166.90110
1211E37.2Very low31.4Very low143 Ų143121.6 Ų121.667%0.66870%0.696SS**  trans-68.1150.2177.7-66175.19700111.2D1213E1211-D1213 PolarHBondContact O-N 3.31Å; E1211-D1213 VanDerWaalsContact O-N 3.08Å
1212F37.9Very low31.8Very low83 Ų83117.3 Ų117.336%0.36469%0.685SS.*  trans-83.445.8174.5-76.1-77.5000111.6Y927 M930 K931 T1214Y927-F1212 HydrophobicContact CD2-CE2 4.14Å; Y927-F1212 AromaticContact CD2-CZ 3.91Å; Y927-F1212 HydrophobicContact CD2-CZ 3.91Å; Y927-F1212 HydrophobicContact CE1-CZ 4.41Å; Y927-F1212 HydrophobicContact CE2-CE1 4.25Å; Y927-F1212 AromaticContact CE2-CE2 3.84Å; Y927-F1212 HydrophobicContact CE2-CE2 3.84Å; Y927-F1212 AromaticContact CE2-CZ 3.33Å; Y927-F1212 HydrophobicContact CE2-CZ 3.33Å; Y927-F1212 AromaticContact CZ-CZ 3.61Å; M930-F1212 HydrophobicContact CB-CE2 4.49Å; K931-F1212 HydrophobicContact CB-CE1 4.45Å; K931-F1212 HydrophobicContact CB-CZ 4.35Å; K931-F1212 HydrophobicContact CG-CE1 4.49Å; F1212-T1214 PolarHBondContact O-N 3.18Å; F1212-T1214 PolarHBondContact O-OG1 3.15Å
1213D34.5Very low32.1Very low116 Ų116113.7 Ų113.762%0.6268%0.678SS**  trans-67.1104.4173.3-87.210000108.8E1211 P1215E1211-D1213 PolarHBondContact O-N 3.31Å; E1211-D1213 VanDerWaalsContact O-N 3.08Å; D1213-P1215 WeakPolarHBondContact O-CD 3.4Å
1214T35.8Very low32.3Very low56 Ų56110.2 Ų110.234%0.34467%0.666SS.*  trans-100.7105.9174.5-36.40000105.8F1212F1212-T1214 PolarHBondContact O-N 3.18Å; F1212-T1214 PolarHBondContact O-OG1 3.15Å
1215P36.2Very low33Very low114 Ų114112.8 Ų112.874%0.7465%0.654SS**  trans-59.7155.616926.8-33.4000109.8D1213D1213-P1215 WeakPolarHBondContact O-CD 3.4Å
1216L37.2Very low33.6Very low90 Ų90115.9 Ų115.947%0.47164%0.64SS.*  trans-690-178.4-88.2161.7000112.7F1164F1164-L1216 HydrophobicContact CB-CD1 3.98Å; F1164-L1216 HydrophobicContact CD2-CB 3.65Å; F1164-L1216 HydrophobicContact CD2-CD1 4.16Å; F1164-L1216 HydrophobicContact CD2-CG 4.34Å; F1164-L1216 HydrophobicContact CE2-CB 3.84Å; F1164-L1216 HydrophobicContact CG-CB 4.37Å; F1164-L1216 HydrophobicContact CG-CD1 4.06Å

Retrieved 1,216 of 1,216 residues in 1344.8 ms (Link to these results)

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