A0A077ZCU1_TRITR Loading...

Sulfide:quinone oxidoreductase, mitochondrial

Catalyzes the oxidation of hydrogen sulfide with the help of a quinone, such as ubiquinone-10, giving rise to thiosulfate and ultimately to sulfane (molecular sulfur) atoms. Requires an additional electron acceptor; can use sulfite, sulfide or cyanide (in vitro). It is believed the in vivo electron acceptor is glutathione.

AlphaFold DB , UniProt , Accession A0A077ZCU1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 363 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
1M92.1Very high96.4Very high71 Ų7138.9 Ų38.935%0.3520%0.201SC..  0-49.90-159.6143.939.600111.6T3 L4 V5 A15 P335 W339M1-T3 VanDerWaalsContact C-N 3.27Å; M1-T3 PolarHBondContact O-N 3.35Å; M1-L4 WeakPolarHBondContact O-CA 3.33Å; M1-L4 WeakPolarHBondContact O-CB 3.44Å; M1-L4 PolarHBondContact O-N 2.95Å; M1-V5 PolarHBondContact O-N 3.29Å; M1-V5 VanDerWaalsContact O-N 3.1Å; M1-A15 HydrophobicContact CB-CB 4.25Å; M1-A15 VanDerWaalsContact CE-CA 3.41Å; M1-A15 HydrophobicContact CE-CB 3.9Å; M1-A15 HydrophobicContact CG-CB 3.7Å; M1-A15 HydrophobicContact SD-CB 4.09Å; M1-P335 HydrophobicContact SD-CB 4.26Å; M1-W339 HydrophobicContact CE-CZ2 4.37Å
2W97Very high96.3Very high77 Ų7738.3 Ų38.329%0.29220%0.198SC..Hα-helixtrans-59.7-29.5177.7-61.2-15.8000115.1L4 V5 G6 I12 I77 Y78 A83W2-L4 VanDerWaalsContact C-N 3.3Å; W2-L4 PolarHBondContact O-N 3.23Å; W2-V5 WeakPolarHBondContact O-CB 3.4Å; W2-V5 PolarHBondContact O-N 3.27Å; W2-G6 PolarHBondContact O-N 3.32Å; W2-I12 HydrophobicContact CG-CD1 4.44Å; W2-I77 WeakPolarHBondContact CB-O 3.5Å; W2-Y78 WeakPolarHBondContact CZ3-O 3.39Å; W2-A83 HydrophobicContact CB-CB 3.96Å; W2-A83 HydrophobicContact CG-CB 4.35Å
3T97.6Very high96.2Very high14 Ų1444.7 Ų44.79%0.08623%0.226CC..Hα-helixtrans-56.8-42167.1-50.30000112.8M1 G6 G7 I77 K115 L119 F294M1-T3 VanDerWaalsContact C-N 3.27Å; M1-T3 PolarHBondContact O-N 3.35Å; T3-G6 PolarHBondContact O-N 3.03Å; T3-G7 PolarHBondContact O-N 3.46Å; T3-I77 HydrophobicContact CG2-CD1 4.44Å; T3-K115 HydrophobicContact CG2-CB 3.58Å; T3-K115 HydrophobicContact CG2-CD 4.27Å; T3-L119 HydrophobicContact CG2-CD1 4.05Å; T3-F294 HydrophobicContact CG2-CD2 4.26Å
4L97.1Very high96Very high5 Ų547 Ų473%0.02624%0.239CC..Hα-helixtrans-71.6-34.3178.2-61.9176000111.1M1 W2 G7 G8 L9 Q10 F294 A331M1-L4 WeakPolarHBondContact O-CA 3.33Å; M1-L4 WeakPolarHBondContact O-CB 3.44Å; M1-L4 PolarHBondContact O-N 2.95Å; W2-L4 VanDerWaalsContact C-N 3.3Å; W2-L4 PolarHBondContact O-N 3.23Å; L4-G7 CarbonylContact O-C 3.6Å; L4-G7 PolarHBondContact O-N 3.11Å; L4-G8 PolarHBondContact O-N 2.98Å; L4-G8 VanDerWaalsContact O-N 3.15Å; L4-L9 HydrophobicContact CB-CB 4.21Å; L4-L9 HydrophobicContact CD2-CB 4.36Å; L4-L9 HydrophobicContact CD2-CD1 3.93Å; L4-L9 PolarHBondContact O-N 3.03Å; L4-Q10 HydrophobicContact CB-CB 3.99Å; L4-Q10 HydrophobicContact CB-CG 4.05Å; L4-Q10 HydrophobicContact CD1-CG 4.25Å; L4-Q10 PolarHBondContact O-N 3.04Å; L4-F294 HydrophobicContact CD1-CZ 4.24Å; L4-F294 HydrophobicContact CD2-CD1 4.02Å; L4-F294 HydrophobicContact CD2-CD2 4.15Å; L4-F294 HydrophobicContact CD2-CE1 3.85Å; L4-F294 HydrophobicContact CD2-CE2 3.99Å; L4-F294 HydrophobicContact CD2-CG 4.19Å; L4-F294 HydrophobicContact CD2-CZ 3.83Å; L4-F294 HydrophobicContact CG-CE2 4.28Å; L4-F294 HydrophobicContact CG-CZ 4.24Å; L4-A331 HydrophobicContact CD1-CB 3.92Å; L4-A331 HydrophobicContact CD2-CB 4.4Å
5V97.7Very high95.8Very high7 Ų744.7 Ų44.74%0.04223%0.23CC..Hα-helixtrans-62.1-50.5172.5177.40000110.4M1 W2 G7 G8 Q10 I12 A83 P84M1-V5 PolarHBondContact O-N 3.29Å; M1-V5 VanDerWaalsContact O-N 3.1Å; W2-V5 WeakPolarHBondContact O-CB 3.4Å; W2-V5 PolarHBondContact O-N 3.27Å; V5-G7 PolarHBondContact O-N 3.11Å; V5-G8 PolarHBondContact O-N 3.09Å; V5-Q10 WeakPolarHBondContact CA-O 3.43Å; V5-Q10 HydrophobicContact CG2-CB 4.04Å; V5-I12 HydrophobicContact CG1-CB 4.19Å; V5-I12 HydrophobicContact CG1-CD1 4.4Å; V5-I12 HydrophobicContact CG2-CD1 4.41Å; V5-A83 HydrophobicContact CG1-CB 4.45Å; V5-P84 HydrophobicContact CG1-CB 4.27Å; V5-P84 HydrophobicContact CG1-CG 3.9Å
6G97.7Very high95.6Very high0 Ų046.6 Ų46.60%024%0.244CC..Hα-helixtrans-63.4-25.3176.500000113.9W2 T3 A83 Y87 I116W2-G6 PolarHBondContact O-N 3.32Å; T3-G6 PolarHBondContact O-N 3.03Å; G6-A83 VanDerWaalsContact CA-O 3.25Å; G6-A83 WeakPolarHBondContact CA-O 3.42Å; G6-Y87 WeakPolarHBondContact O-CA 3.21Å; G6-Y87 WeakPolarHBondContact O-CB 3.27Å; G6-Y87 PolarHBondContact O-N 3.41Å; G6-I116 VanDerWaalsContact C-CD1 3.49Å
7G97.4Very high95.5Very high3 Ų352.1 Ų52.13%0.03126%0.261CS..THydrogen-bonded Turntrans-86.21.9172.100000115.1T3 L4 V5 L9T3-G7 PolarHBondContact O-N 3.46Å; L4-G7 CarbonylContact O-C 3.6Å; L4-G7 PolarHBondContact O-N 3.11Å; V5-G7 PolarHBondContact O-N 3.11Å; G7-L9 VanDerWaalsContact C-N 3.33Å; G7-L9 PolarHBondContact O-N 3.36Å
8G96.8Very high95.5Very high33 Ų3354 Ų5434%0.3428%0.278SS..THydrogen-bonded Turntrans71.421.1-17900000115.1L4 V5 Y87L4-G8 PolarHBondContact O-N 2.98Å; L4-G8 VanDerWaalsContact O-N 3.15Å; V5-G8 PolarHBondContact O-N 3.09Å; G8-Y87 VanDerWaalsContact CA-CD2 3.46Å
9L96.4Very high95.5Very high47 Ų4756.7 Ų56.725%0.24629%0.291CS..SBendtrans-103.8-8.6-177.1-57175000113.4L4 G7 L119 P297 F327L4-L9 HydrophobicContact CB-CB 4.21Å; L4-L9 HydrophobicContact CD2-CB 4.36Å; L4-L9 HydrophobicContact CD2-CD1 3.93Å; L4-L9 PolarHBondContact O-N 3.03Å; G7-L9 VanDerWaalsContact C-N 3.33Å; G7-L9 PolarHBondContact O-N 3.36Å; L9-L119 HydrophobicContact CD1-CD2 4.27Å; L9-P297 HydrophobicContact CD1-CB 3.84Å; L9-P297 HydrophobicContact CD1-CG 4.22Å; L9-P297 HydrophobicContact CD2-CB 3.8Å; L9-P297 HydrophobicContact CD2-CG 4.31Å; L9-P297 HydrophobicContact CG-CB 4.44Å; L9-F327 HydrophobicContact CD1-CE2 4.31Å; L9-F327 HydrophobicContact CD1-CZ 4.32Å
10Q95.7Very high95.5Very high39 Ų3958 Ų5818%0.18231%0.305CS..SBendtrans-148.7159.7177.6-86.3-59.9-33.500110.8L4 V5 N14L4-Q10 HydrophobicContact CB-CB 3.99Å; L4-Q10 HydrophobicContact CB-CG 4.05Å; L4-Q10 HydrophobicContact CD1-CG 4.25Å; L4-Q10 PolarHBondContact O-N 3.04Å; V5-Q10 WeakPolarHBondContact CA-O 3.43Å; V5-Q10 HydrophobicContact CG2-CB 4.04Å; Q10-N14 PolarHBondContact OE1-ND2 3.23Å
11H95Very high95.4Very high132 Ų13258.9 Ų58.961%0.61132%0.321SS*.  trans-95.5149.6172.4-69.2-78.4000110.8E13 N14H11-E13 VanDerWaalsContact C-N 3.26Å; H11-E13 WeakPolarHBondContact CB-OE2 3.37Å; H11-E13 PolarHBondContact O-N 2.9Å; H11-N14 PolarHBondContact O-N 3.29Å
12I95.3Very high95.6Very high32 Ų3257.1 Ų57.116%0.16432%0.315CS..SBendtrans-68.9-29.5-176.5-169.862.7000111.8W2 V5 N14 A15 P84W2-I12 HydrophobicContact CG-CD1 4.44Å; V5-I12 HydrophobicContact CG1-CB 4.19Å; V5-I12 HydrophobicContact CG1-CD1 4.4Å; V5-I12 HydrophobicContact CG2-CD1 4.41Å; I12-N14 VanDerWaalsContact C-N 3.3Å; I12-N14 PolarHBondContact O-N 3.17Å; I12-A15 HydrophobicContact CD1-CB 4.28Å; I12-A15 WeakPolarHBondContact O-CA 3.49Å; I12-A15 WeakPolarHBondContact O-CB 3.26Å; I12-A15 PolarHBondContact O-N 3.03Å; I12-P84 HydrophobicContact CB-CG 3.98Å; I12-P84 HydrophobicContact CG1-CG 4.3Å; I12-P84 HydrophobicContact CG2-CG 4.16Å
13E94.8Very high95.5Very high121 Ų12156.5 Ų56.557%0.56532%0.317SS*.G310 helixtrans-63-38178.4-60.873.9-161.500110.8H11 A15 T16H11-E13 VanDerWaalsContact C-N 3.26Å; H11-E13 WeakPolarHBondContact CB-OE2 3.37Å; H11-E13 PolarHBondContact O-N 2.9Å; E13-A15 PolarHBondContact O-N 2.8Å; E13-T16 PolarHBondContact O-N 3.45Å; E13-T16 PolarHBondContact O-OG1 3.32Å
14N93.6Very high95.3Very high77 Ų7760.9 Ų60.941%0.41234%0.336SS..G310 helixtrans-68.6-15.1173.8-66.9-21.2000112.8Q10 H11 I12Q10-N14 PolarHBondContact OE1-ND2 3.23Å; H11-N14 PolarHBondContact O-N 3.29Å; I12-N14 VanDerWaalsContact C-N 3.3Å; I12-N14 PolarHBondContact O-N 3.17Å
15A92.8Very high95.2Very high13 Ų1371.2 Ų71.211%0.10738%0.375CS..G310 helixtrans-88.5-2.1-179.200000114.1M1 I12 E13M1-A15 HydrophobicContact CB-CB 4.25Å; M1-A15 VanDerWaalsContact CE-CA 3.41Å; M1-A15 HydrophobicContact CE-CB 3.9Å; M1-A15 HydrophobicContact CG-CB 3.7Å; M1-A15 HydrophobicContact SD-CB 4.09Å; I12-A15 HydrophobicContact CD1-CB 4.28Å; I12-A15 WeakPolarHBondContact O-CA 3.49Å; I12-A15 WeakPolarHBondContact O-CB 3.26Å; I12-A15 PolarHBondContact O-N 3.03Å; E13-A15 PolarHBondContact O-N 2.8Å
16T92.6Very high95Very high74 Ų7476.7 Ų76.745%0.45440%0.404SS..  trans-135.9153.6-174.366.30000111.8E13E13-T16 PolarHBondContact O-N 3.45Å; E13-T16 PolarHBondContact O-OG1 3.32Å
17R94.3Very high94.9Very high141 Ų14180.2 Ų80.253%0.53243%0.427SS..  trans-140.5149.4171.1-68.4-65.6-173.7-147.62.5108.6M19 W339R17-M19 PolarHBondContact O-N 2.92Å; R17-W339 HydrophobicContact CB-CE3 4.36Å; R17-W339 HydrophobicContact CB-CH2 3.81Å; R17-W339 HydrophobicContact CB-CZ2 4.46Å; R17-W339 HydrophobicContact CB-CZ3 3.75Å; R17-W339 HydrophobicContact CG-CD2 3.93Å; R17-W339 HydrophobicContact CG-CE3 3.68Å; R17-W339 HydrophobicContact CG-CH2 3.58Å; R17-W339 HydrophobicContact CG-CZ2 3.81Å; R17-W339 HydrophobicContact CG-CZ3 3.51Å
18P95.2Very high94.8Very high86 Ų8685.9 Ų85.956%0.55847%0.467SS*.  trans-55.6136169.1-22.933.7000110.6S20 A21P18-S20 PolarHBondContact O-N 3.39Å; P18-A21 WeakPolarHBondContact O-CB 3.26Å; P18-A21 PolarHBondContact O-N 2.73Å
19M95.4Very high94.7Very high106 Ų10690 Ų9052%0.52247%0.472SS..G310 helixtrans-56.6-39.2-178.8-17858.373.500112.2R17 A21 C22 L23 W29R17-M19 PolarHBondContact O-N 2.92Å; M19-A21 PolarHBondContact O-N 3.45Å; M19-C22 WeakPolarHBondContact O-CB 3.39Å; M19-C22 PolarHBondContact O-N 3.45Å; M19-L23 HydrophobicContact CG-CD1 4.19Å; M19-L23 HydrophobicContact CG-CG 4.36Å; M19-L23 PolarHBondContact O-N 2.74Å; M19-L23 HydrophobicContact SD-CG 4.4Å; M19-W29 HydrophobicContact CB-CH2 3.97Å; M19-W29 HydrophobicContact CB-CZ2 3.91Å; M19-W29 HydrophobicContact CG-CH2 4.32Å; M19-W29 HydrophobicContact CG-CZ2 3.86Å
20S95.1Very high94.6Very high82 Ų8293.5 Ų93.557%0.57349%0.49SS*.G310 helixtrans-58-29.517751.90000113.6P18 C22P18-S20 PolarHBondContact O-N 3.39Å; S20-C22 VanDerWaalsContact C-N 3.3Å
21A94.3Very high94.6Very high77 Ų7799.7 Ų99.764%0.63652%0.516SS*.G310 helixtrans-79.7-13.317700000113.3P18 M19P18-A21 WeakPolarHBondContact O-CB 3.26Å; P18-A21 PolarHBondContact O-N 2.73Å; M19-A21 PolarHBondContact O-N 3.45Å
22C95.6Very high94.6Very high34 Ų3499.8 Ų99.823%0.2352%0.521CS..THydrogen-bonded Turntrans-99.3-17.4-178.1-61.20000113M19 S20 V343M19-C22 WeakPolarHBondContact O-CB 3.39Å; M19-C22 PolarHBondContact O-N 3.45Å; S20-C22 VanDerWaalsContact C-N 3.3Å; C22-V343 HydrophobicContact CB-CG1 3.76Å
23L94.6Very high94.6Very high64 Ų64102.9 Ų102.934%0.33555%0.545SS..SBendtrans-82.2143.1-179.7-67.9171.3000110.9M19 W29M19-L23 HydrophobicContact CG-CD1 4.19Å; M19-L23 HydrophobicContact CG-CG 4.36Å; M19-L23 PolarHBondContact O-N 2.74Å; M19-L23 HydrophobicContact SD-CG 4.4Å; L23-W29 HydrophobicContact CD1-CB 3.61Å; L23-W29 HydrophobicContact CD1-CD2 3.99Å; L23-W29 HydrophobicContact CD1-CE3 4.37Å; L23-W29 HydrophobicContact CD1-CG 3.66Å
24H94.6Very high94.5Very high105 Ų105100.9 Ų100.949%0.48654%0.542SS..  trans-66.4144.6168.6-165.6-98.3000109.4D26 C27H24-D26 IonicContact CE1-OD2 2.79Å; H24-D26 PolarHBondContact CE1-OD2 2.91Å; H24-D26 PolarHBondContact ND1-N 2.99Å; H24-D26 IonicContact ND1-OD2 3.21Å; H24-D26 PolarHBondContact ND1-OD2 3.46Å; H24-D26 PolarHBondContact O-N 3Å; H24-D26 VanDerWaalsContact O-N 3.08Å; H24-C27 WeakPolarHBondContact O-CB 3.15Å; H24-C27 PolarHBondContact O-N 3.35Å
25R93.7Very high94.5Very high222 Ų222103.4 Ų103.484%0.83856%0.559SS**THydrogen-bonded Turntrans-58.1-25.3-17864.2179.8-178.7-152.8-2.3114.1C27R25-C27 VanDerWaalsContact C-N 3.35Å
26D94.6Very high94.5Very high123 Ų123109.3 Ų109.366%0.65859%0.585SS**THydrogen-bonded Turntrans-88.6-2.7179.4-54.4-29.1000112.5H24H24-D26 IonicContact CE1-OD2 2.79Å; H24-D26 PolarHBondContact CE1-OD2 2.91Å; H24-D26 PolarHBondContact ND1-N 2.99Å; H24-D26 IonicContact ND1-OD2 3.21Å; H24-D26 PolarHBondContact ND1-OD2 3.46Å; H24-D26 PolarHBondContact O-N 3Å; H24-D26 VanDerWaalsContact O-N 3.08Å
27C95Very high94.6Very high73 Ų73106.8 Ų106.849%0.49357%0.567SS.*  trans-88.2130.8177-66.90000110.8H24 R25H24-C27 WeakPolarHBondContact O-CB 3.15Å; H24-C27 PolarHBondContact O-N 3.35Å; R25-C27 VanDerWaalsContact C-N 3.35Å
28S94.9Very high94.4Very high122 Ų122102.4 Ų102.485%0.85355%0.554SS**  trans-80.5127.6168.5-66.50000110.5
29W95.5Very high94Very high120 Ų12098.9 Ų98.946%0.45553%0.532SS..  trans-97.8109.7176.2-174.419.2000111.4M19 L23 K31M19-W29 HydrophobicContact CB-CH2 3.97Å; M19-W29 HydrophobicContact CB-CZ2 3.91Å; M19-W29 HydrophobicContact CG-CH2 4.32Å; M19-W29 HydrophobicContact CG-CZ2 3.86Å; L23-W29 HydrophobicContact CD1-CB 3.61Å; L23-W29 HydrophobicContact CD1-CD2 3.99Å; L23-W29 HydrophobicContact CD1-CE3 4.37Å; L23-W29 HydrophobicContact CD1-CG 3.66Å; W29-K31 HydrophobicContact CD2-CB 4.13Å; W29-K31 HydrophobicContact CH2-CB 4.45Å; W29-K31 HydrophobicContact CH2-CD 3.59Å; W29-K31 HydrophobicContact CH2-CG 3.9Å; W29-K31 HydrophobicContact CZ2-CB 3.93Å; W29-K31 HydrophobicContact CZ2-CD 3.72Å; W29-K31 HydrophobicContact CZ2-CG 3.46Å; W29-K31 VanDerWaalsContact CZ2-CG 3.46Å; W29-K31 HydrophobicContact CZ3-CD 4.13Å; W29-K31 PolarHBondContact O-N 3.1Å
30I94.7Very high93.5Very high121 Ų121100.5 Ų100.562%0.62154%0.538SS*.  trans-85.1102.1164-56.6175000107D32I30-D32 HydrophobicContact CG2-CB 4.04Å; I30-D32 PolarHBondContact O-N 3Å
31K95.6Very high92.8Very high168 Ų168104.1 Ų104.173%0.7354%0.543SS*.  trans-81.866.7-179.9-170.5-179.2-179.8-170.60110.7W29W29-K31 HydrophobicContact CD2-CB 4.13Å; W29-K31 HydrophobicContact CH2-CB 4.45Å; W29-K31 HydrophobicContact CH2-CD 3.59Å; W29-K31 HydrophobicContact CH2-CG 3.9Å; W29-K31 HydrophobicContact CZ2-CB 3.93Å; W29-K31 HydrophobicContact CZ2-CD 3.72Å; W29-K31 HydrophobicContact CZ2-CG 3.46Å; W29-K31 VanDerWaalsContact CZ2-CG 3.46Å; W29-K31 HydrophobicContact CZ3-CD 4.13Å; W29-K31 PolarHBondContact O-N 3.1Å
32D94.6Very high91.8Very high135 Ų135102.7 Ų102.772%0.72253%0.525SS*.SBendtrans-142175.4179.7-148.2-27.4000110.5I30I30-D32 HydrophobicContact CG2-CB 4.04Å; I30-D32 PolarHBondContact O-N 3Å
33S95Very high90.6Very high96 Ų96108.7 Ų108.767%0.67155%0.552SS**  trans-105.6139.1176.1-60.90000110.9V35S33-V35 PolarHBondContact O-N 3.45Å
34V93.9Very high89.9Confident80 Ų80111.6 Ų111.649%0.48557%0.566SS.*  trans-70.7120.8170.9-177.10000108.5F37 V212V34-F37 HydrophobicContact CG1-CD1 4.38Å; V34-F37 HydrophobicContact CG1-CD2 4.5Å; V34-F37 HydrophobicContact CG1-CE1 3.98Å; V34-F37 HydrophobicContact CG1-CE2 4.1Å; V34-F37 HydrophobicContact CG1-CZ 3.82Å; V34-V212 HydrophobicContact CG1-CG2 3.99Å
35V93.5Very high89.3Confident129 Ų129117.7 Ų117.778%0.78259%0.585SS**  trans-99.3-24.7179.9-62.80000113.4S33 V212S33-V35 PolarHBondContact O-N 3.45Å; V35-V212 WeakPolarHBondContact O-CG2 3.34Å
36Q92.9Very high89.2Confident137 Ų137109.8 Ų109.864%0.6456%0.555SS**  trans-156.9145.9179.4-171.5176.14.700111.1
37F93Very high89Confident22 Ų22111.4 Ų111.410%0.09656%0.559CS.*  trans-102.5130.8164.6-66.1-79.2000110.7V34 M49 I51 I53 V212 L213 C216 L219V34-F37 HydrophobicContact CG1-CD1 4.38Å; V34-F37 HydrophobicContact CG1-CD2 4.5Å; V34-F37 HydrophobicContact CG1-CE1 3.98Å; V34-F37 HydrophobicContact CG1-CE2 4.1Å; V34-F37 HydrophobicContact CG1-CZ 3.82Å; F37-M49 HydrophobicContact CD1-CE 4.41Å; F37-M49 HydrophobicContact CD1-SD 4.3Å; F37-M49 HydrophobicContact CE1-SD 4.26Å; F37-I51 HydrophobicContact CD1-CD1 4.32Å; F37-I51 HydrophobicContact CE1-CD1 3.98Å; F37-I51 HydrophobicContact CE1-CG1 4.16Å; F37-I51 HydrophobicContact CZ-CD1 4.37Å; F37-I51 HydrophobicContact CZ-CG2 4.3Å; F37-I53 HydrophobicContact CE2-CD1 4.21Å; F37-I53 HydrophobicContact CZ-CD1 4.29Å; F37-V212 HydrophobicContact CD2-CG2 3.94Å; F37-V212 WeakPolarHBondContact CD2-O 3.27Å; F37-V212 HydrophobicContact CE2-CG1 4.07Å; F37-V212 HydrophobicContact CE2-CG2 3.96Å; F37-L213 HydrophobicContact CE2-CB 4.15Å; F37-L213 HydrophobicContact CE2-CD1 4.47Å; F37-C216 HydrophobicContact CB-CB 4.15Å; F37-C216 PolarHBondContact O-SG 3.41Å; F37-C216 VanDerWaalsContact O-SG 3.41Å; F37-L219 HydrophobicContact CB-CD1 3.53Å; F37-L219 HydrophobicContact CD1-CD1 4.06Å; F37-L219 HydrophobicContact CD2-CD1 4.28Å; F37-L219 HydrophobicContact CG-CD1 3.71Å
38N89.8Confident89Confident48 Ų48110.8 Ų110.826%0.25755%0.549SS..  trans-131.785169.8-167.9-32000109.5E40 K41 N42N38-E40 PolarHBondContact O-N 3.34Å; N38-E40 VanDerWaalsContact O-N 3.12Å; N38-E40 PolarHBondContact OD1-N 3.33Å; N38-K41 HydrophobicContact CB-CB 4.48Å; N38-K41 PolarHBondContact O-N 3.01Å; N38-K41 PolarHBondContact OD1-N 3.15Å; N38-K41 VanDerWaalsContact OD1-N 3.08Å; N38-N42 PolarHBondContact O-N 2.87Å
39P87.8Confident89Confident13 Ų13106.4 Ų106.48%0.08452%0.515CS..THydrogen-bonded Turntrans-65.8-13.1-174.527.8-36000113.8N42 A218 L219 Y238 I241P39-N42 PolarHBondContact O-OD1 3.03Å; P39-A218 HydrophobicContact CG-CB 4.09Å; P39-L219 HydrophobicContact CB-CD2 4.07Å; P39-L219 HydrophobicContact CG-CD2 4.01Å; P39-L219 HydrophobicContact CG-CG 4.17Å; P39-Y238 HydrophobicContact CB-CD1 4.12Å; P39-Y238 HydrophobicContact CB-CD2 3.96Å; P39-Y238 HydrophobicContact CB-CE1 3.9Å; P39-Y238 HydrophobicContact CB-CE2 3.78Å; P39-Y238 HydrophobicContact CB-CG 4.18Å; P39-Y238 HydrophobicContact CG-CD2 4.19Å; P39-Y238 HydrophobicContact CG-CE1 4.1Å; P39-Y238 HydrophobicContact CG-CE2 3.53Å; P39-Y238 VanDerWaalsContact CG-CZ 3.48Å; P39-I241 HydrophobicContact CB-CD1 3.61Å
40E85Confident89.1Confident139 Ų139103.9 Ų103.965%0.6551%0.513SS*.THydrogen-bonded Turntrans-92-32.6180-63.8-180-179.400112.6N38 K237 Y238N38-E40 PolarHBondContact O-N 3.34Å; N38-E40 VanDerWaalsContact O-N 3.12Å; N38-E40 PolarHBondContact OD1-N 3.33Å; E40-K237 IonicContact OE1-NZ 3.81Å; E40-Y238 HydrophobicContact CG-CE1 4.34Å; E40-Y238 PolarHBondContact OE1-OH 3.02Å
41K80.6Confident89.2Confident158 Ų15898.4 Ų98.469%0.68749%0.485SS*.THydrogen-bonded Turntrans-98-16-175.4-64.1-169.8-177.9-179.70114.9N38 M43N38-K41 HydrophobicContact CB-CB 4.48Å; N38-K41 PolarHBondContact O-N 3.01Å; N38-K41 PolarHBondContact OD1-N 3.15Å; N38-K41 VanDerWaalsContact OD1-N 3.08Å; K41-M43 VanDerWaalsContact C-N 3.3Å; K41-M43 HydrophobicContact CB-CG 4.41Å; K41-M43 PolarHBondContact O-N 3.3Å; K41-M43 VanDerWaalsContact O-N 3.16Å
42N72.5Confident89.3Confident47 Ų4793.4 Ų93.425%0.25148%0.475SS..  trans41.553179.4-63.2-22.3000113.5N38 P39 I44 R45 Y46N38-N42 PolarHBondContact O-N 2.87Å; P39-N42 PolarHBondContact O-OD1 3.03Å; N42-I44 VanDerWaalsContact C-N 3.26Å; N42-I44 CarbonylContact C-O 3.5Å; N42-I44 CarbonylContact O-C 3.55Å; N42-I44 PolarHBondContact O-N 3.04Å; N42-R45 PolarHBondContact O-N 3.11Å; N42-Y46 HydrophobicContact CB-CE1 4.41Å; N42-Y46 WeakPolarHBondContact OD1-CE1 2.84Å; N42-Y46 PolarHBondContact OD1-OH 2.94Å
43M71.2Confident89.5Confident160 Ų16090 Ų9079%0.78846%0.456SS*.SBendtrans-56.3-40.8-175.2-70.8-179.764.600112.4K41K41-M43 VanDerWaalsContact C-N 3.3Å; K41-M43 HydrophobicContact CB-CG 4.41Å; K41-M43 PolarHBondContact O-N 3.3Å; K41-M43 VanDerWaalsContact O-N 3.16Å
44I78.9Confident89.6Confident126 Ų12686.4 Ų86.465%0.64643%0.434SS*.SBendtrans-88.9113.3155.8-61.5175.6000105.5N42 Y46N42-I44 VanDerWaalsContact C-N 3.26Å; N42-I44 CarbonylContact C-O 3.5Å; N42-I44 CarbonylContact O-C 3.55Å; N42-I44 PolarHBondContact O-N 3.04Å; I44-Y46 WeakPolarHBondContact O-CD1 3.19Å; I44-Y46 PolarHBondContact O-N 3.32Å
45R83.8Confident89.7Confident233 Ų23383.2 Ų83.288%0.87942%0.415SS*.  trans-67.9125.3-179.6-70.8-173.6-179-1700.6109.5N42N42-R45 PolarHBondContact O-N 3.11Å
46Y91Very high89.9Confident55 Ų5580.3 Ų80.322%0.21639%0.392CS..  trans-136.3148.2171.956.4-98.7000109N42 I44 M49N42-Y46 HydrophobicContact CB-CE1 4.41Å; N42-Y46 WeakPolarHBondContact OD1-CE1 2.84Å; N42-Y46 PolarHBondContact OD1-OH 2.94Å; I44-Y46 WeakPolarHBondContact O-CD1 3.19Å; I44-Y46 PolarHBondContact O-N 3.32Å; Y46-M49 HydrophobicContact CD1-CB 4.41Å; Y46-M49 HydrophobicContact CD2-CB 3.67Å; Y46-M49 HydrophobicContact CE1-CB 4.38Å; Y46-M49 HydrophobicContact CE1-CE 4.29Å; Y46-M49 HydrophobicContact CE1-SD 4Å; Y46-M49 HydrophobicContact CE2-CB 3.61Å; Y46-M49 HydrophobicContact CE2-CE 4.37Å; Y46-M49 HydrophobicContact CG-CB 4.1Å
47E91Very high90.1Very high157 Ų15775.7 Ų75.773%0.73437%0.374SS*.SBendtrans-80.1-48.1168.1-66.4179.8178.400109.9N240E47-N240 VanDerWaalsContact O-CB 3.31Å; E47-N240 WeakPolarHBondContact O-CB 3.13Å; E47-N240 PolarHBondContact O-ND2 2.97Å
48H93.3Very high90.4Very high60 Ų6076.8 Ų76.828%0.27838%0.377SS..SBendtrans-128.8141.8176.2-62.3-77.8000110.8N240 Y242 L270 I273H48-N240 WeakPolarHBondContact CA-O 3.39Å; H48-Y242 AromaticContact ND1-CE2 3.95Å; H48-L270 HydrophobicContact CB-CD2 4.43Å; H48-I273 WeakPolarHBondContact NE2-CG2 3.33Å
49M95.2Very high90.7Very high31 Ų3175.2 Ų75.215%0.15337%0.369CS..EExtended strand (participates in β ladder)trans-121.9130176.6179.517257.800110.6F37 Y46 I51 N240 I241 Y242F37-M49 HydrophobicContact CD1-CE 4.41Å; F37-M49 HydrophobicContact CD1-SD 4.3Å; F37-M49 HydrophobicContact CE1-SD 4.26Å; Y46-M49 HydrophobicContact CD1-CB 4.41Å; Y46-M49 HydrophobicContact CD2-CB 3.67Å; Y46-M49 HydrophobicContact CE1-CB 4.38Å; Y46-M49 HydrophobicContact CE1-CE 4.29Å; Y46-M49 HydrophobicContact CE1-SD 4Å; Y46-M49 HydrophobicContact CE2-CB 3.61Å; Y46-M49 HydrophobicContact CE2-CE 4.37Å; Y46-M49 HydrophobicContact CG-CB 4.1Å; M49-I51 HydrophobicContact CE-CD1 3.89Å; M49-I51 HydrophobicContact CE-CG1 4.14Å; M49-I51 HydrophobicContact CG-CG1 4.06Å; M49-I51 HydrophobicContact SD-CD1 4.43Å; M49-I51 HydrophobicContact SD-CG1 4.13Å; M49-N240 PolarHBondContact N-O 2.77Å; M49-I241 HydrophobicContact CB-CG1 4.47Å; M49-I241 HydrophobicContact CE-CB 4.45Å; M49-I241 HydrophobicContact CE-CD1 3.5Å; M49-I241 VanDerWaalsContact CE-CD1 3.5Å; M49-I241 HydrophobicContact CE-CG1 3.75Å; M49-I241 HydrophobicContact CE-CG2 3.91Å; M49-I241 CarbonylContact O-C 3.5Å; M49-I241 WeakPolarHBondContact O-CA 3.35Å; M49-Y242 PolarHBondContact O-N 3.29Å
50V97.3Very high91.2Very high67 Ų6779.5 Ų79.541%0.40639%0.391SS..EExtended strand (participates in β ladder)trans-111.1114.9170.4-178.70000108.5Y242 I244 L266 L270V50-Y242 WeakPolarHBondContact CA-O 3.22Å; V50-I244 HydrophobicContact CG1-CG2 3.82Å; V50-L266 HydrophobicContact CG1-CD1 3.8Å; V50-L270 HydrophobicContact CG2-CD1 3.78Å
51I97.9Very high91.8Very high5 Ų577.5 Ų77.53%0.02638%0.383CS..EExtended strand (participates in β ladder)trans-91.1116.9177.8-59.1176.1000108.5F37 M49 I53 L219 L226 I241 Y242 G243 I244 C247F37-I51 HydrophobicContact CD1-CD1 4.32Å; F37-I51 HydrophobicContact CE1-CD1 3.98Å; F37-I51 HydrophobicContact CE1-CG1 4.16Å; F37-I51 HydrophobicContact CZ-CD1 4.37Å; F37-I51 HydrophobicContact CZ-CG2 4.3Å; M49-I51 HydrophobicContact CE-CD1 3.89Å; M49-I51 HydrophobicContact CE-CG1 4.14Å; M49-I51 HydrophobicContact CG-CG1 4.06Å; M49-I51 HydrophobicContact SD-CD1 4.43Å; M49-I51 HydrophobicContact SD-CG1 4.13Å; I51-I53 HydrophobicContact CG2-CD1 4.33Å; I51-I53 HydrophobicContact CG2-CG1 3.99Å; I51-I53 HydrophobicContact CG2-CG2 4.33Å; I51-L219 HydrophobicContact CD1-CD1 3.94Å; I51-L226 HydrophobicContact CB-CD2 3.68Å; I51-L226 HydrophobicContact CD1-CD1 3.73Å; I51-L226 HydrophobicContact CD1-CD2 4.06Å; I51-L226 HydrophobicContact CG1-CD2 4.36Å; I51-L226 HydrophobicContact CG2-CD2 3.99Å; I51-I241 HydrophobicContact CD1-CG2 3.97Å; I51-I241 HydrophobicContact CG1-CG2 4.43Å; I51-Y242 PolarHBondContact N-O 3.36Å; I51-G243 WeakPolarHBondContact O-CA 3.35Å; I51-I244 PolarHBondContact O-N 3.05Å; I51-C247 PolarHBondContact O-SG 2.84Å; I51-C247 VanDerWaalsContact O-SG 3.41Å
52A97.9Very high92.7Very high64 Ų6470.2 Ų70.253%0.52935%0.352SS..  trans-133.938-175.200000112.3G54 I244A52-G54 VanDerWaalsContact C-N 3.25Å; A52-G54 PolarHBondContact O-N 3.2Å; A52-I244 HydrophobicContact CB-CG2 3.48Å; A52-I244 VanDerWaalsContact CB-CG2 3.48Å
53I97.4Very high93.9Very high62 Ų6275.1 Ų75.132%0.31837%0.373SS..  trans-84.410-167.862.5170.1000114.6F37 I51 P210 V212 L213 C247F37-I53 HydrophobicContact CE2-CD1 4.21Å; F37-I53 HydrophobicContact CZ-CD1 4.29Å; I51-I53 HydrophobicContact CG2-CD1 4.33Å; I51-I53 HydrophobicContact CG2-CG1 3.99Å; I51-I53 HydrophobicContact CG2-CG2 4.33Å; I53-P210 HydrophobicContact CB-CG 4.42Å; I53-P210 HydrophobicContact CD1-CB 3.9Å; I53-P210 HydrophobicContact CD1-CG 3.74Å; I53-P210 HydrophobicContact CG1-CG 3.88Å; I53-V212 HydrophobicContact CD1-CG1 4.25Å; I53-L213 HydrophobicContact CD1-CB 3.66Å; I53-L213 HydrophobicContact CD1-CD2 4.02Å; I53-L213 HydrophobicContact CD1-CG 4.44Å; I53-L213 HydrophobicContact CG1-CD2 4.43Å; I53-C247 HydrophobicContact CG1-CB 3.79Å
54G97.6Very high95.2Very high21 Ų2168.6 Ų68.622%0.21635%0.347CS..  trans66-151.2176.300000114A52 P210 C247A52-G54 VanDerWaalsContact C-N 3.25Å; A52-G54 PolarHBondContact O-N 3.2Å; G54-P210 WeakPolarHBondContact O-CD 3.5Å; G54-C247 VanDerWaalsContact O-CA 3.22Å; G54-C247 WeakPolarHBondContact O-CA 3.38Å; G54-C247 WeakPolarHBondContact O-CB 3.09Å; G54-C247 PolarHBondContact O-N 3.22Å
55M97Very high96.2Very high14 Ų1462.6 Ų62.67%0.06932%0.316CS..  trans-134.5153.1175.865.6-168.7-48.300111.1E106 K108 F207 S208 D246 K254M55-E106 HydrophobicContact CE-CB 4.38Å; M55-K108 HydrophobicContact CG-CB 4.32Å; M55-K108 HydrophobicContact CG-CD 4.23Å; M55-K108 HydrophobicContact CG-CG 4.49Å; M55-K108 HydrophobicContact SD-CB 3.51Å; M55-K108 VanDerWaalsContact SD-CB 3.51Å; M55-K108 HydrophobicContact SD-CD 4.48Å; M55-K108 HydrophobicContact SD-CG 4.14Å; M55-K108 PolarHBondContact SD-N 3.46Å; M55-F207 HydrophobicContact CB-CD1 4.33Å; M55-F207 HydrophobicContact CE-CB 3.31Å; M55-F207 HydrophobicContact CE-CD1 4.16Å; M55-F207 HydrophobicContact CE-CG 3.86Å; M55-F207 HydrophobicContact CG-CB 4.5Å; M55-F207 HydrophobicContact CG-CD1 3.61Å; M55-F207 HydrophobicContact CG-CE1 4.19Å; M55-F207 HydrophobicContact CG-CG 4.31Å; M55-F207 HydrophobicContact SD-CB 4.39Å; M55-F207 HydrophobicContact SD-CD1 4.17Å; M55-F207 HydrophobicContact SD-CG 4.34Å; M55-S208 WeakPolarHBondContact CB-O 3.37Å; M55-D246 HydrophobicContact CB-CB 3.88Å; M55-D246 HydrophobicContact CG-CB 3.73Å; M55-D246 HydrophobicContact SD-CB 3.76Å; M55-K254 HydrophobicContact CE-CD 3.66Å; M55-K254 HydrophobicContact SD-CB 4.45Å; M55-K254 HydrophobicContact SD-CD 3.59Å; M55-K254 VanDerWaalsContact SD-CD 3.59Å
56Q97Very high96.8Very high68 Ų6857.1 Ų57.132%0.31830%0.301SS..EExtended strand (participates in β ladder)trans-103.5126.6-172.1179.7174.2-3.800110.3F207 S208Q56-F207 VanDerWaalsContact O-CA 3.26Å; Q56-F207 WeakPolarHBondContact O-CA 3.29Å; Q56-F207 VanDerWaalsContact O-CD1 3.31Å; Q56-F207 WeakPolarHBondContact O-CD1 3.46Å; Q56-S208 PolarHBondContact N-O 2.97Å; Q56-S208 PolarHBondContact O-N 2.67Å
57P97.7Very high97.2Very high39 Ų3960.4 Ų60.425%0.25332%0.318SS..EExtended strand (participates in β ladder)trans-66.9139.6168.729.1-32000109.8F79 P205 P206 F207P57-F79 HydrophobicContact CB-CE1 3.96Å; P57-F79 HydrophobicContact CB-CZ 3.65Å; P57-F79 HydrophobicContact CG-CE1 3.56Å; P57-F79 HydrophobicContact CG-CZ 3.82Å; P57-P205 HydrophobicContact CB-CB 4.19Å; P57-P205 HydrophobicContact CB-CG 3.79Å; P57-P206 CarbonylContact C-O 3.48Å; P57-P206 WeakPolarHBondContact CA-O 3.29Å; P57-F207 HydrophobicContact CB-CD1 4.16Å; P57-F207 HydrophobicContact CB-CE1 3.68Å; P57-F207 HydrophobicContact CB-CZ 3.92Å; P57-F207 HydrophobicContact CG-CE1 4.26Å
58R97.7Very high97.5Very high45 Ų4553 Ų5317%0.1728%0.283CS..  trans-118.968.9-175.4-67.2-62.9-59.2-76.6-2.1110.1D60 M61 P206 S208R58-D60 VanDerWaalsContact C-OD1 3.25Å; R58-D60 WeakPolarHBondContact CA-OD1 3.13Å; R58-D60 WeakPolarHBondContact CB-OD1 3.45Å; R58-D60 WeakPolarHBondContact CD-OD1 3.35Å; R58-D60 IonicContact CZ-OD1 2.8Å; R58-D60 IonicContact CZ-OD2 3.11Å; R58-D60 VanDerWaalsContact CZ-OD2 3.28Å; R58-D60 IonicContact NE-OD1 3.37Å; R58-D60 PolarHBondContact NE-OD1 3.41Å; R58-D60 IonicContact NE-OD2 3.85Å; R58-D60 PolarHBondContact NE-OD2 3.42Å; R58-D60 VanDerWaalsContact NE-OD2 3.11Å; R58-D60 IonicContact NH2-OD1 3.06Å; R58-D60 IonicContact NH2-OD2 3.73Å; R58-D60 PolarHBondContact NH2-OD2 3.32Å; R58-D60 PolarHBondContact O-N 3.36Å; R58-M61 HydrophobicContact CB-CB 4.41Å; R58-M61 HydrophobicContact CB-CG 3.84Å; R58-M61 HydrophobicContact CB-SD 3.6Å; R58-M61 VanDerWaalsContact CB-SD 3.6Å; R58-M61 HydrophobicContact CG-SD 4.12Å; R58-M61 WeakPolarHBondContact O-CB 3.36Å; R58-M61 PolarHBondContact O-N 3.09Å; R58-M61 VanDerWaalsContact O-N 3.14Å; R58-P206 HydrophobicContact CB-CB 4.29Å; R58-P206 PolarHBondContact N-O 2.95Å; R58-S208 WeakPolarHBondContact CG-OG 3.16Å; R58-S208 PolarHBondContact NH1-OG 3.07Å
59L97.9Very high97.7Very high15 Ų1550.1 Ų50.18%0.07927%0.27CS..G310 helixtrans-61.7-29.5175.5-72169000111.4M61 V62 A65 E66 L69 F79 I203 P205L59-M61 PolarHBondContact O-N 3.36Å; L59-M61 VanDerWaalsContact O-N 3.12Å; L59-V62 CarbonylContact O-C 3.53Å; L59-V62 PolarHBondContact O-N 3.48Å; L59-A65 HydrophobicContact CD2-CB 4.02Å; L59-E66 HydrophobicContact CB-CB 4.25Å; L59-E66 HydrophobicContact CD1-CB 4.33Å; L59-E66 HydrophobicContact CD1-CG 4.45Å; L59-L69 HydrophobicContact CD1-CD1 3.53Å; L59-L69 HydrophobicContact CD2-CD1 3.69Å; L59-L69 HydrophobicContact CG-CD1 4.29Å; L59-F79 HydrophobicContact CD1-CE1 4.05Å; L59-F79 HydrophobicContact CD1-CE2 4.15Å; L59-F79 HydrophobicContact CD1-CZ 3.5Å; L59-F79 HydrophobicContact CD2-CE2 4.36Å; L59-F79 HydrophobicContact CD2-CZ 4.22Å; L59-F79 HydrophobicContact CG-CE2 4.45Å; L59-F79 HydrophobicContact CG-CZ 3.83Å; L59-I203 HydrophobicContact CD2-CG2 4.41Å; L59-P205 HydrophobicContact CD2-CB 3.84Å; L59-P205 HydrophobicContact CG-CB 4.33Å
60D97.5Very high97.9Very high103 Ų10353.9 Ų53.955%0.55129%0.287SS*.G310 helixtrans-59.3-18.6173.964.6-62.4000113.9R58 V62R58-D60 VanDerWaalsContact C-OD1 3.25Å; R58-D60 WeakPolarHBondContact CA-OD1 3.13Å; R58-D60 WeakPolarHBondContact CB-OD1 3.45Å; R58-D60 WeakPolarHBondContact CD-OD1 3.35Å; R58-D60 IonicContact CZ-OD1 2.8Å; R58-D60 IonicContact CZ-OD2 3.11Å; R58-D60 VanDerWaalsContact CZ-OD2 3.28Å; R58-D60 IonicContact NE-OD1 3.37Å; R58-D60 PolarHBondContact NE-OD1 3.41Å; R58-D60 IonicContact NE-OD2 3.85Å; R58-D60 PolarHBondContact NE-OD2 3.42Å; R58-D60 VanDerWaalsContact NE-OD2 3.11Å; R58-D60 IonicContact NH2-OD1 3.06Å; R58-D60 IonicContact NH2-OD2 3.73Å; R58-D60 PolarHBondContact NH2-OD2 3.32Å; R58-D60 PolarHBondContact O-N 3.36Å; D60-V62 VanDerWaalsContact C-N 3.27Å
61M97.8Very high97.9Very high98 Ų9852.7 Ų52.748%0.48328%0.28SS..G310 helixtrans-80.9-4.8173-67.117872.800113.5R58 L59 T105 P206R58-M61 HydrophobicContact CB-CB 4.41Å; R58-M61 HydrophobicContact CB-CG 3.84Å; R58-M61 HydrophobicContact CB-SD 3.6Å; R58-M61 VanDerWaalsContact CB-SD 3.6Å; R58-M61 HydrophobicContact CG-SD 4.12Å; R58-M61 WeakPolarHBondContact O-CB 3.36Å; R58-M61 PolarHBondContact O-N 3.09Å; R58-M61 VanDerWaalsContact O-N 3.14Å; L59-M61 PolarHBondContact O-N 3.36Å; L59-M61 VanDerWaalsContact O-N 3.12Å; M61-T105 HydrophobicContact CE-CG2 4.05Å; M61-P206 HydrophobicContact CB-CB 4.24Å; M61-P206 HydrophobicContact CB-CG 4.03Å; M61-P206 HydrophobicContact CE-CB 4.46Å; M61-P206 HydrophobicContact SD-CB 3.88Å
62V98.7Very high97.9Very high4 Ų457.1 Ų57.12%0.02431%0.309CS..SBendtrans-126.2108.7177-177.20000107.9L59 D60 G64 A65 L171 V174 P206L59-V62 CarbonylContact O-C 3.53Å; L59-V62 PolarHBondContact O-N 3.48Å; D60-V62 VanDerWaalsContact C-N 3.27Å; V62-G64 PolarHBondContact O-N 3.3Å; V62-A65 HydrophobicContact CB-CB 3.68Å; V62-A65 HydrophobicContact CG1-CB 3.74Å; V62-A65 VanDerWaalsContact O-CB 3.25Å; V62-A65 WeakPolarHBondContact O-CB 3.37Å; V62-A65 PolarHBondContact O-N 3.4Å; V62-L171 HydrophobicContact CG1-CD2 3.81Å; V62-L171 HydrophobicContact CG1-CG 3.78Å; V62-V174 HydrophobicContact CG1-CG2 4.28Å; V62-P206 HydrophobicContact CG2-CG 3.87Å
63E98.8Very high97.8Very high150 Ų15054.1 Ų54.170%0.70128%0.284SS*.BIsolated β-bridgetrans-54.5127.2-177.2-177.9-172.5177.300111.1A65 V172 S173 V174E63-A65 VanDerWaalsContact C-N 3.26Å; E63-A65 PolarHBondContact O-N 3.14Å; E63-V172 PolarHBondContact N-O 2.92Å; E63-S173 CarbonylContact O-C 3.55Å; E63-S173 VanDerWaalsContact O-CA 3.23Å; E63-S173 WeakPolarHBondContact O-CA 3.4Å; E63-V174 PolarHBondContact O-N 2.9Å
64G98.5Very high97.9Very high23 Ų2351.1 Ų51.124%0.23727%0.269CS..THydrogen-bonded Turntrans74.90.5179.300000115.8V62 E67 A68V62-G64 PolarHBondContact O-N 3.3Å; G64-E67 WeakPolarHBondContact CA-OE2 3.37Å; G64-A68 WeakPolarHBondContact O-CB 3.23Å; G64-A68 PolarHBondContact O-N 3.38Å
65A98.5Very high97.9Very high0 Ų050.1 Ų50.10%026%0.259CS..Hα-helixtrans-69.5-34.3-174.500000114L59 V62 E63 L69 I203L59-A65 HydrophobicContact CD2-CB 4.02Å; V62-A65 HydrophobicContact CB-CB 3.68Å; V62-A65 HydrophobicContact CG1-CB 3.74Å; V62-A65 VanDerWaalsContact O-CB 3.25Å; V62-A65 WeakPolarHBondContact O-CB 3.37Å; V62-A65 PolarHBondContact O-N 3.4Å; E63-A65 VanDerWaalsContact C-N 3.26Å; E63-A65 PolarHBondContact O-N 3.14Å; A65-L69 WeakPolarHBondContact O-CG 3.49Å; A65-L69 PolarHBondContact O-N 2.99Å; A65-I203 HydrophobicContact CB-CD1 4.12Å
66E97.8Very high98Very high119 Ų11949.5 Ų49.556%0.55626%0.256SS*.Hα-helixtrans-68.9-49.5-180-175.5161.8-163.800111L59 A68 L69L59-E66 HydrophobicContact CB-CB 4.25Å; L59-E66 HydrophobicContact CD1-CB 4.33Å; L59-E66 HydrophobicContact CD1-CG 4.45Å; E66-A68 VanDerWaalsContact C-N 3.33Å; E66-A68 PolarHBondContact O-N 3.39Å; E66-L69 PolarHBondContact O-N 2.72Å
67E97.8Very high98.1Very high124 Ų12446.5 Ų46.558%0.57924%0.242SC*.Hα-helixtrans-62.5-41.9175.1-57.883.3174.400110.9G64 L69 E70G64-E67 WeakPolarHBondContact CA-OE2 3.37Å; E67-L69 VanDerWaalsContact C-N 3.28Å; E67-L69 PolarHBondContact O-N 3.37Å; E67-E70 WeakPolarHBondContact O-CB 3.16Å; E67-E70 PolarHBondContact O-N 3.22Å; E67-E70 VanDerWaalsContact O-N 3.11Å
68A98.5Very high98.1Very high0 Ų045.3 Ų45.30%023%0.232CC..Hα-helixtrans-59.7-37.3179.800000112.3G64 E66 E70 T71 V74 V174 P176G64-A68 WeakPolarHBondContact O-CB 3.23Å; G64-A68 PolarHBondContact O-N 3.38Å; E66-A68 VanDerWaalsContact C-N 3.33Å; E66-A68 PolarHBondContact O-N 3.39Å; A68-E70 PolarHBondContact O-N 3.1Å; A68-E70 VanDerWaalsContact O-N 3.12Å; A68-T71 WeakPolarHBondContact O-CB 3.46Å; A68-T71 PolarHBondContact O-N 3.32Å; A68-T71 PolarHBondContact O-OG1 3.35Å; A68-V74 HydrophobicContact CB-CG1 4.09Å; A68-V74 HydrophobicContact CB-CG2 4.25Å; A68-V74 VanDerWaalsContact O-CB 3.23Å; A68-V74 WeakPolarHBondContact O-CB 3.4Å; A68-V174 HydrophobicContact CB-CB 4.03Å; A68-V174 HydrophobicContact CB-CG1 3.52Å; A68-P176 HydrophobicContact CB-CB 4.08Å; A68-P176 HydrophobicContact CB-CG 4.17Å
69L98.3Very high98.1Very high0 Ų045 Ų450%023%0.232CC..Hα-helixtrans-61.2-20.9178.7-79.2166.6000113.9L59 A65 E66 E67 T71 V74 F79 Y82 K85 I203L59-L69 HydrophobicContact CD1-CD1 3.53Å; L59-L69 HydrophobicContact CD2-CD1 3.69Å; L59-L69 HydrophobicContact CG-CD1 4.29Å; A65-L69 WeakPolarHBondContact O-CG 3.49Å; A65-L69 PolarHBondContact O-N 2.99Å; E66-L69 PolarHBondContact O-N 2.72Å; E67-L69 VanDerWaalsContact C-N 3.28Å; E67-L69 PolarHBondContact O-N 3.37Å; L69-T71 VanDerWaalsContact C-N 3.33Å; L69-V74 HydrophobicContact CD2-CG1 4.14Å; L69-V74 HydrophobicContact CG-CG1 4.42Å; L69-F79 HydrophobicContact CD1-CE2 4.2Å; L69-Y82 HydrophobicContact CB-CD1 4.49Å; L69-Y82 HydrophobicContact CB-CD2 4.15Å; L69-Y82 HydrophobicContact CB-CE1 4.15Å; L69-Y82 HydrophobicContact CB-CE2 3.8Å; L69-Y82 HydrophobicContact CD1-CD2 4Å; L69-Y82 HydrophobicContact CD1-CE2 3.86Å; L69-Y82 HydrophobicContact CD2-CD2 4.06Å; L69-Y82 HydrophobicContact CD2-CG 4.27Å; L69-Y82 HydrophobicContact CG-CD2 4.31Å; L69-Y82 HydrophobicContact CG-CE2 4.29Å; L69-Y82 WeakPolarHBondContact O-CE1 3.43Å; L69-K85 PolarHBondContact O-NZ 3.36Å; L69-I203 HydrophobicContact CG-CD1 4.47Å
70E97.6Very high98Very high111 Ų11147 Ų4752%0.51925%0.248SC..Hα-helixtrans-79.6-16.5173.4-56.9-66.5178.500112.6E67 A68 K81 Y82E67-E70 WeakPolarHBondContact O-CB 3.16Å; E67-E70 PolarHBondContact O-N 3.22Å; E67-E70 VanDerWaalsContact O-N 3.11Å; A68-E70 PolarHBondContact O-N 3.1Å; A68-E70 VanDerWaalsContact O-N 3.12Å; E70-K81 IonicContact OE1-NZ 3.29Å; E70-K81 PolarHBondContact OE1-NZ 2.75Å; E70-K81 IonicContact OE2-NZ 3.57Å; E70-K81 PolarHBondContact OE2-NZ 2.91Å; E70-Y82 VanDerWaalsContact CD-OH 3.28Å; E70-Y82 PolarHBondContact OE1-OH 3.15Å
71T98Very high97.9Very high41 Ų4148.2 Ų48.225%0.25225%0.248SC..SBendtrans-92.6151.2-174.971.10000113.3A68 L69 V74 K85 P176A68-T71 WeakPolarHBondContact O-CB 3.46Å; A68-T71 PolarHBondContact O-N 3.32Å; A68-T71 PolarHBondContact O-OG1 3.35Å; L69-T71 VanDerWaalsContact C-N 3.33Å; T71-V74 PolarHBondContact O-N 2.96Å; T71-K85 PolarHBondContact O-NZ 2.78Å; T71-P176 HydrophobicContact CG2-CB 3.81Å; T71-P176 HydrophobicContact CG2-CG 4.33Å; T71-P176 WeakPolarHBondContact OG1-CB 3.39Å
72P97.3Very high97.9Very high98 Ų9844.7 Ų44.764%0.63623%0.229SC*.THydrogen-bonded Turntrans-54.4149.7177.3-26.235.4000113.6V74P72-V74 PolarHBondContact O-N 2.99Å; P72-V74 VanDerWaalsContact O-N 3.16Å
73G97.7Very high97.8Very high1 Ų144.5 Ų44.51%0.0123%0.228CC..THydrogen-bonded Turntrans76.6-19.1-178.200000116.2E89 D199 I200 L201G73-E89 PolarHBondContact N-OE2 2.97Å; G73-D199 WeakPolarHBondContact CA-O 3.45Å; G73-I200 CarbonylContact O-C 3.53Å; G73-I200 VanDerWaalsContact O-CA 3.23Å; G73-I200 WeakPolarHBondContact O-CA 3.43Å; G73-L201 PolarHBondContact O-N 3.24Å
74V98.6Very high97.8Very high0 Ų039.7 Ų39.70%021%0.21CC..EExtended strand (participates in β ladder)trans-100.3125.2177.7-171.40000110.9A68 L69 T71 P72 K85 Y198 L201 I203A68-V74 HydrophobicContact CB-CG1 4.09Å; A68-V74 HydrophobicContact CB-CG2 4.25Å; A68-V74 VanDerWaalsContact O-CB 3.23Å; A68-V74 WeakPolarHBondContact O-CB 3.4Å; L69-V74 HydrophobicContact CD2-CG1 4.14Å; L69-V74 HydrophobicContact CG-CG1 4.42Å; T71-V74 PolarHBondContact O-N 2.96Å; P72-V74 PolarHBondContact O-N 2.99Å; P72-V74 VanDerWaalsContact O-N 3.16Å; V74-K85 WeakPolarHBondContact O-CD 3.49Å; V74-K85 VanDerWaalsContact O-CE 3.26Å; V74-K85 WeakPolarHBondContact O-CE 3.49Å; V74-K85 PolarHBondContact O-NZ 3.24Å; V74-Y198 HydrophobicContact CG2-CE2 3.56Å; V74-Y198 WeakPolarHBondContact CG2-OH 3.38Å; V74-L201 CarbonylContact C-O 3.57Å; V74-L201 WeakPolarHBondContact CA-O 3.29Å; V74-L201 HydrophobicContact CG1-CB 4.46Å; V74-L201 HydrophobicContact CG1-CD2 4.25Å; V74-L201 HydrophobicContact CG2-CB 4.41Å; V74-I203 HydrophobicContact CG1-CD1 3.67Å; V74-I203 HydrophobicContact CG1-CG1 4.15Å
75C98.3Very high97.7Very high0 Ų039.6 Ų39.60%020%0.203CC..EExtended strand (participates in β ladder)trans-139.6167.6-173.2-56.10000112.6V86 E89 L201 H202 I203C75-V86 HydrophobicContact CB-CB 4.37Å; C75-V86 HydrophobicContact CB-CG2 3.52Å; C75-E89 VanDerWaalsContact SG-CG 3.55Å; C75-L201 PolarHBondContact N-O 3.2Å; C75-H202 CarbonylContact O-C 3.31Å; C75-H202 WeakPolarHBondContact O-CA 3.45Å; C75-I203 PolarHBondContact O-N 3.49Å
76S98.5Very high97.7Very high0 Ų039.7 Ų39.70%020%0.204CC..  trans-157.7130.8168.6-177.80000111.5Y78 Y82 A83 I203S76-Y78 PolarHBondContact O-N 2.87Å; S76-Y78 PolarHBondContact OG-N 3.1Å; S76-Y82 CarbonylContact O-C 3.26Å; S76-Y82 VanDerWaalsContact O-C 3.31Å; S76-Y82 WeakPolarHBondContact O-CB 3.38Å; S76-A83 PolarHBondContact O-N 3.4Å; S76-I203 WeakPolarHBondContact CB-O 3.43Å; S76-I203 PolarHBondContact OG-O 3.11Å
77I98.4Very high97.7Very high6 Ų638.2 Ų38.23%0.03119%0.194CC..THydrogen-bonded Turntrans-75.2-2172.167.6-178.1000113.4W2 T3 F79 V86 A112 I116 H202W2-I77 WeakPolarHBondContact CB-O 3.5Å; T3-I77 HydrophobicContact CG2-CD1 4.44Å; I77-F79 VanDerWaalsContact C-N 3.31Å; I77-V86 HydrophobicContact CG2-CG2 3.88Å; I77-A112 HydrophobicContact CD1-CB 3.83Å; I77-A112 WeakPolarHBondContact CD1-O 3.48Å; I77-I116 HydrophobicContact CD1-CB 4.03Å; I77-I116 HydrophobicContact CD1-CG2 3.98Å; I77-I116 HydrophobicContact CG2-CB 4.27Å; I77-I116 HydrophobicContact CG2-CD1 4.05Å; I77-I116 HydrophobicContact CG2-CG1 3.85Å; I77-H202 WeakPolarHBondContact CG1-NE2 3.42Å; I77-H202 PolarHBondContact N-NE2 3Å
78Y97.9Very high97.7Very high13 Ų1339.6 Ų39.65%0.05119%0.194CC..THydrogen-bonded Turntrans-87.2-1.3-177.6-76.4-87.1000113.9W2 S76 I107 K108 C109 P113 A204 P205 F207W2-Y78 WeakPolarHBondContact CZ3-O 3.39Å; S76-Y78 PolarHBondContact O-N 2.87Å; S76-Y78 PolarHBondContact OG-N 3.1Å; Y78-I107 HydrophobicContact CE1-CD1 3.97Å; Y78-I107 HydrophobicContact CE1-CG1 3.87Å; Y78-I107 HydrophobicContact CE2-CD1 4.08Å; Y78-I107 VanDerWaalsContact CZ-CD1 3.49Å; Y78-I107 WeakPolarHBondContact OH-CD1 3.41Å; Y78-I107 WeakPolarHBondContact OH-CG1 3.48Å; Y78-K108 HydrophobicContact CD1-CG 4.11Å; Y78-K108 HydrophobicContact CE1-CG 3.86Å; Y78-K108 VanDerWaalsContact CE1-O 3.28Å; Y78-K108 WeakPolarHBondContact CE1-O 3.23Å; Y78-K108 PolarHBondContact OH-O 2.58Å; Y78-C109 PolarHBondContact OH-O 2.75Å; Y78-P113 HydrophobicContact CE2-CG 4.12Å; Y78-P113 WeakPolarHBondContact OH-CD 3.33Å; Y78-P113 WeakPolarHBondContact OH-CG 3.34Å; Y78-A204 HydrophobicContact CD2-CB 4.39Å; Y78-A204 HydrophobicContact CE2-CB 3.87Å; Y78-P205 HydrophobicContact CG-CG 4.44Å; Y78-F207 AromaticContact CD1-CE2 3.71Å; Y78-F207 HydrophobicContact CD1-CE2 3.71Å; Y78-F207 AromaticContact CD1-CZ 3.46Å; Y78-F207 HydrophobicContact CD1-CZ 3.46Å; Y78-F207 VanDerWaalsContact CD1-CZ 3.46Å; Y78-F207 AromaticContact CE1-CE2 3.94Å; Y78-F207 HydrophobicContact CE1-CE2 3.94Å; Y78-F207 HydrophobicContact CE1-CZ 4.06Å; Y78-F207 HydrophobicContact CG-CE2 4.26Å; Y78-F207 HydrophobicContact CG-CZ 4.09Å
79F97.3Very high97.7Very high39 Ų3940.9 Ų40.917%0.17120%0.2CC..SBendtrans-130.1133.9177.9-55.9-93.3000109.2P57 L59 L69 I77 K81 Y82 A83 P205P57-F79 HydrophobicContact CB-CE1 3.96Å; P57-F79 HydrophobicContact CB-CZ 3.65Å; P57-F79 HydrophobicContact CG-CE1 3.56Å; P57-F79 HydrophobicContact CG-CZ 3.82Å; L59-F79 HydrophobicContact CD1-CE1 4.05Å; L59-F79 HydrophobicContact CD1-CE2 4.15Å; L59-F79 HydrophobicContact CD1-CZ 3.5Å; L59-F79 HydrophobicContact CD2-CE2 4.36Å; L59-F79 HydrophobicContact CD2-CZ 4.22Å; L59-F79 HydrophobicContact CG-CE2 4.45Å; L59-F79 HydrophobicContact CG-CZ 3.83Å; L69-F79 HydrophobicContact CD1-CE2 4.2Å; I77-F79 VanDerWaalsContact C-N 3.31Å; F79-K81 PolarHBondContact O-N 2.95Å; F79-Y82 HydrophobicContact CB-CD2 3.6Å; F79-Y82 HydrophobicContact CB-CE2 4.32Å; F79-Y82 HydrophobicContact CB-CG 4.37Å; F79-Y82 AromaticContact CD2-CD2 3.95Å; F79-Y82 HydrophobicContact CD2-CD2 3.95Å; F79-Y82 AromaticContact CG-CD2 3.83Å; F79-Y82 HydrophobicContact CG-CD2 3.83Å; F79-Y82 HydrophobicContact CG-CE2 4.32Å; F79-Y82 PolarHBondContact O-N 3.14Å; F79-A83 WeakPolarHBondContact O-CB 3.49Å; F79-A83 PolarHBondContact O-N 2.82Å; F79-P205 HydrophobicContact CE2-CG 3.91Å; F79-P205 HydrophobicContact CZ-CG 4.09Å
80S95.7Very high97.7Very high58 Ų5840.9 Ų40.941%0.40620%0.2SC..THydrogen-bonded Turntrans-56.8-40.6177.551.70000112.1Y82 P84S80-Y82 PolarHBondContact O-N 2.8Å; S80-P84 VanDerWaalsContact O-CD 3.22Å; S80-P84 WeakPolarHBondContact O-CD 3.41Å
81K95.9Very high97.7Very high127 Ų12739 Ų3955%0.55219%0.191SC*.THydrogen-bonded Turntrans-58.9-42.7177.7-177.6-178.8171.3-169.10112.6E70 F79E70-K81 IonicContact OE1-NZ 3.29Å; E70-K81 PolarHBondContact OE1-NZ 2.75Å; E70-K81 IonicContact OE2-NZ 3.57Å; E70-K81 PolarHBondContact OE2-NZ 2.91Å; F79-K81 PolarHBondContact O-N 2.95Å
82Y97.8Very high97.6Very high24 Ų2440 Ų409%0.09420%0.204CC..THydrogen-bonded Turntrans-98.6-14.8-172.1-53.3-54.9000114.1L69 E70 S76 F79 S80 K85L69-Y82 HydrophobicContact CB-CD1 4.49Å; L69-Y82 HydrophobicContact CB-CD2 4.15Å; L69-Y82 HydrophobicContact CB-CE1 4.15Å; L69-Y82 HydrophobicContact CB-CE2 3.8Å; L69-Y82 HydrophobicContact CD1-CD2 4Å; L69-Y82 HydrophobicContact CD1-CE2 3.86Å; L69-Y82 HydrophobicContact CD2-CD2 4.06Å; L69-Y82 HydrophobicContact CD2-CG 4.27Å; L69-Y82 HydrophobicContact CG-CD2 4.31Å; L69-Y82 HydrophobicContact CG-CE2 4.29Å; L69-Y82 WeakPolarHBondContact O-CE1 3.43Å; E70-Y82 VanDerWaalsContact CD-OH 3.28Å; E70-Y82 PolarHBondContact OE1-OH 3.15Å; S76-Y82 CarbonylContact O-C 3.26Å; S76-Y82 VanDerWaalsContact O-C 3.31Å; S76-Y82 WeakPolarHBondContact O-CB 3.38Å; F79-Y82 HydrophobicContact CB-CD2 3.6Å; F79-Y82 HydrophobicContact CB-CE2 4.32Å; F79-Y82 HydrophobicContact CB-CG 4.37Å; F79-Y82 AromaticContact CD2-CD2 3.95Å; F79-Y82 HydrophobicContact CD2-CD2 3.95Å; F79-Y82 AromaticContact CG-CD2 3.83Å; F79-Y82 HydrophobicContact CG-CD2 3.83Å; F79-Y82 HydrophobicContact CG-CE2 4.32Å; F79-Y82 PolarHBondContact O-N 3.14Å; S80-Y82 PolarHBondContact O-N 2.8Å; Y82-K85 WeakPolarHBondContact O-CB 3.3Å; Y82-K85 PolarHBondContact O-N 3.22Å; Y82-K85 VanDerWaalsContact O-N 3.09Å
83A97.8Very high97.6Very high0 Ų036.2 Ų36.20%018%0.179CC..Hα-helixtrans-59.1-44.4-179.200000113.6W2 V5 G6 S76 F79 K85 V86W2-A83 HydrophobicContact CB-CB 3.96Å; W2-A83 HydrophobicContact CG-CB 4.35Å; V5-A83 HydrophobicContact CG1-CB 4.45Å; G6-A83 VanDerWaalsContact CA-O 3.25Å; G6-A83 WeakPolarHBondContact CA-O 3.42Å; S76-A83 PolarHBondContact O-N 3.4Å; F79-A83 WeakPolarHBondContact O-CB 3.49Å; F79-A83 PolarHBondContact O-N 2.82Å; A83-K85 PolarHBondContact O-N 3.08Å; A83-V86 PolarHBondContact O-N 2.89Å
84P97.3Very high97.6Very high50 Ų5040.9 Ų40.933%0.32520%0.2SC..Hα-helixtrans-63.6-28.5175.5-22.134.2000113.5V5 I12 S80 V86 Y87 R88V5-P84 HydrophobicContact CG1-CB 4.27Å; V5-P84 HydrophobicContact CG1-CG 3.9Å; I12-P84 HydrophobicContact CB-CG 3.98Å; I12-P84 HydrophobicContact CG1-CG 4.3Å; I12-P84 HydrophobicContact CG2-CG 4.16Å; S80-P84 VanDerWaalsContact O-CD 3.22Å; S80-P84 WeakPolarHBondContact O-CD 3.41Å; P84-V86 PolarHBondContact O-N 2.83Å; P84-Y87 PolarHBondContact O-N 3.19Å; P84-R88 PolarHBondContact O-N 3.16Å
85K97.6Very high97.5Very high20 Ų2043.8 Ų43.89%0.08722%0.221CC..Hα-helixtrans-58.2-38.3-179.3-162.9-178.2177.2-174.40111.2L69 T71 V74 Y82 A83 Y87 R88 E89L69-K85 PolarHBondContact O-NZ 3.36Å; T71-K85 PolarHBondContact O-NZ 2.78Å; V74-K85 WeakPolarHBondContact O-CD 3.49Å; V74-K85 VanDerWaalsContact O-CE 3.26Å; V74-K85 WeakPolarHBondContact O-CE 3.49Å; V74-K85 PolarHBondContact O-NZ 3.24Å; Y82-K85 WeakPolarHBondContact O-CB 3.3Å; Y82-K85 PolarHBondContact O-N 3.22Å; Y82-K85 VanDerWaalsContact O-N 3.09Å; A83-K85 PolarHBondContact O-N 3.08Å; K85-Y87 PolarHBondContact O-N 3.46Å; K85-R88 WeakPolarHBondContact O-CB 3.15Å; K85-R88 PolarHBondContact O-N 3.41Å; K85-R88 VanDerWaalsContact O-N 3.14Å; K85-E89 HydrophobicContact CG-CG 3.97Å; K85-E89 WeakPolarHBondContact O-CG 3.23Å; K85-E89 PolarHBondContact O-N 3.41Å
86V98.3Very high97.5Very high2 Ų244.8 Ų44.81%0.01223%0.231CC..Hα-helixtrans-53.9-52.6-179-176.70000111.5C75 I77 A83 P84 R88 E89 V90 I116C75-V86 HydrophobicContact CB-CB 4.37Å; C75-V86 HydrophobicContact CB-CG2 3.52Å; I77-V86 HydrophobicContact CG2-CG2 3.88Å; A83-V86 PolarHBondContact O-N 2.89Å; P84-V86 PolarHBondContact O-N 2.83Å; V86-R88 VanDerWaalsContact C-N 3.31Å; V86-R88 PolarHBondContact O-N 3.3Å; V86-E89 PolarHBondContact O-N 3.02Å; V86-V90 HydrophobicContact CG1-CG2 4.29Å; V86-V90 WeakPolarHBondContact O-CB 3.31Å; V86-V90 VanDerWaalsContact O-CG2 3.23Å; V86-V90 WeakPolarHBondContact O-CG2 3.44Å; V86-V90 PolarHBondContact O-N 3.13Å; V86-I116 HydrophobicContact CG1-CD1 3.8Å; V86-I116 HydrophobicContact CG1-CG1 3.76Å
87Y98Very high97.6Very high88 Ų8847.1 Ų47.135%0.34524%0.243SC..Hα-helixtrans-62.2-42.3-178.2-175.2-118.1000111.1G6 G8 P84 K85 V90 Q91 I123G6-Y87 WeakPolarHBondContact O-CA 3.21Å; G6-Y87 WeakPolarHBondContact O-CB 3.27Å; G6-Y87 PolarHBondContact O-N 3.41Å; G8-Y87 VanDerWaalsContact CA-CD2 3.46Å; P84-Y87 PolarHBondContact O-N 3.19Å; K85-Y87 PolarHBondContact O-N 3.46Å; Y87-V90 PolarHBondContact O-N 3.2Å; Y87-Q91 HydrophobicContact CD1-CG 4.27Å; Y87-Q91 HydrophobicContact CD2-CG 4.25Å; Y87-Q91 HydrophobicContact CE1-CG 3.94Å; Y87-Q91 HydrophobicContact CE2-CG 3.92Å; Y87-Q91 VanDerWaalsContact CE2-NE2 3.3Å; Y87-Q91 HydrophobicContact CG-CG 4.42Å; Y87-Q91 WeakPolarHBondContact O-CB 3.3Å; Y87-Q91 WeakPolarHBondContact O-CG 3.44Å; Y87-Q91 PolarHBondContact O-N 3.26Å; Y87-Q91 PolarHBondContact OH-NE2 3.45Å; Y87-I123 HydrophobicContact CD2-CD1 3.69Å; Y87-I123 HydrophobicContact CE2-CD1 3.86Å; Y87-I123 HydrophobicContact CE2-CG1 4.28Å
88R97.5Very high97.6Very high153 Ų15346.8 Ų46.858%0.57724%0.242SC*.Hα-helixtrans-60.3-50.5178.5-174.3-172.569.7-176.15.6112.3P84 K85 V86 Q91 A92P84-R88 PolarHBondContact O-N 3.16Å; K85-R88 WeakPolarHBondContact O-CB 3.15Å; K85-R88 PolarHBondContact O-N 3.41Å; K85-R88 VanDerWaalsContact O-N 3.14Å; V86-R88 VanDerWaalsContact C-N 3.31Å; V86-R88 PolarHBondContact O-N 3.3Å; R88-Q91 PolarHBondContact O-N 3.47Å; R88-A92 PolarHBondContact O-N 2.9Å; R88-A92 VanDerWaalsContact O-N 3.17Å
89E98.1Very high97.6Very high28 Ų2846.2 Ų46.213%0.13124%0.239CC..Hα-helixtrans-65.9-40.7-179.2-56.2-60.8140.300110.9G73 C75 K85 V86 Q91 A92 V93 I200G73-E89 PolarHBondContact N-OE2 2.97Å; C75-E89 VanDerWaalsContact SG-CG 3.55Å; K85-E89 HydrophobicContact CG-CG 3.97Å; K85-E89 WeakPolarHBondContact O-CG 3.23Å; K85-E89 PolarHBondContact O-N 3.41Å; V86-E89 PolarHBondContact O-N 3.02Å; E89-Q91 VanDerWaalsContact C-N 3.3Å; E89-Q91 PolarHBondContact O-N 2.92Å; E89-A92 PolarHBondContact O-N 3.43Å; E89-V93 PolarHBondContact O-N 3.34Å; E89-I200 HydrophobicContact CB-CD1 4.03Å; E89-I200 HydrophobicContact CB-CG1 4.41Å
90V97.8Very high97.7Very high0 Ų044.4 Ų44.40%023%0.232CC..Hα-helixtrans-66.9-29.3177.21750000112.2V86 Y87 A92 T120 I123 L124 R127 I200V86-V90 HydrophobicContact CG1-CG2 4.29Å; V86-V90 WeakPolarHBondContact O-CB 3.31Å; V86-V90 VanDerWaalsContact O-CG2 3.23Å; V86-V90 WeakPolarHBondContact O-CG2 3.44Å; V86-V90 PolarHBondContact O-N 3.13Å; Y87-V90 PolarHBondContact O-N 3.2Å; V90-A92 VanDerWaalsContact C-N 3.33Å; V90-T120 HydrophobicContact CB-CG2 4.46Å; V90-T120 HydrophobicContact CG1-CG2 3.75Å; V90-T120 HydrophobicContact CG2-CG2 3.73Å; V90-I123 HydrophobicContact CG1-CB 3.88Å; V90-I123 HydrophobicContact CG1-CD1 4.09Å; V90-I123 HydrophobicContact CG1-CG2 3.6Å; V90-L124 HydrophobicContact CG1-CD2 4.38Å; V90-L124 HydrophobicContact CG1-CG 4.44Å; V90-R127 PolarHBondContact O-NH1 2.81Å; V90-I200 HydrophobicContact CB-CD1 4.26Å; V90-I200 HydrophobicContact CG2-CD1 3.66Å
91Q97.1Very high97.9Very high70 Ų7041.7 Ų41.733%0.32721%0.213SC..Hα-helixtrans-73.6-23.5171.1-72.9-66.1-43.100112.8Y87 R88 E89 R127Y87-Q91 HydrophobicContact CD1-CG 4.27Å; Y87-Q91 HydrophobicContact CD2-CG 4.25Å; Y87-Q91 HydrophobicContact CE1-CG 3.94Å; Y87-Q91 HydrophobicContact CE2-CG 3.92Å; Y87-Q91 VanDerWaalsContact CE2-NE2 3.3Å; Y87-Q91 HydrophobicContact CG-CG 4.42Å; Y87-Q91 WeakPolarHBondContact O-CB 3.3Å; Y87-Q91 WeakPolarHBondContact O-CG 3.44Å; Y87-Q91 PolarHBondContact O-N 3.26Å; Y87-Q91 PolarHBondContact OH-NE2 3.45Å; R88-Q91 PolarHBondContact O-N 3.47Å; E89-Q91 VanDerWaalsContact C-N 3.3Å; E89-Q91 PolarHBondContact O-N 2.92Å; Q91-R127 VanDerWaalsContact C-NH1 3.35Å; Q91-R127 PolarHBondContact O-NE 2.8Å; Q91-R127 PolarHBondContact O-NH1 2.75Å; Q91-R127 VanDerWaalsContact O-NH1 3.11Å; Q91-R127 PolarHBondContact O-NH2 2.97Å
92A96.8Very high98Very high64 Ų6436.6 Ų36.653%0.52919%0.191SC..Hα-helixtrans-89-35.1-178.300000113.1R88 E89 V90 Q94R88-A92 PolarHBondContact O-N 2.9Å; R88-A92 VanDerWaalsContact O-N 3.17Å; E89-A92 PolarHBondContact O-N 3.43Å; V90-A92 VanDerWaalsContact C-N 3.33Å; A92-Q94 PolarHBondContact O-NE2 3.49Å
93V97.3Very high98Very high17 Ų1735.7 Ų35.710%0.10319%0.187CC..  trans-60138.5-175.171.50000111.9E89 S95 L124 R127 N129 D199 I200E89-V93 PolarHBondContact O-N 3.34Å; V93-S95 WeakPolarHBondContact CG2-O 3.26Å; V93-L124 HydrophobicContact CG1-CD2 3.73Å; V93-R127 PolarHBondContact O-NH1 2.91Å; V93-R127 PolarHBondContact O-NH2 3.35Å; V93-N129 PolarHBondContact O-ND2 3.42Å; V93-D199 HydrophobicContact CG2-CB 4.14Å; V93-I200 HydrophobicContact CB-CD1 3.99Å; V93-I200 HydrophobicContact CB-CG1 4.5Å; V93-I200 HydrophobicContact CG1-CD1 3.87Å
94Q96.9Very high97.9Very high99 Ų9942.2 Ų42.246%0.46322%0.216SC..  trans-106.5-35.6179.1-63.8-58.3-43.900112.6A92 R127 N129A92-Q94 PolarHBondContact O-NE2 3.49Å; Q94-R127 VanDerWaalsContact NE2-NH2 3.15Å; Q94-N129 PolarHBondContact O-ND2 3.42Å
95S98.2Very high97.8Very high62 Ų6241.7 Ų41.743%0.43421%0.212SC..SBendtrans-160.1168.2-178.455.80000109.5V93 R132V93-S95 WeakPolarHBondContact CG2-O 3.26Å; S95-R132 CarbonylContact C-O 3.57Å; S95-R132 WeakPolarHBondContact CA-O 3.5Å; S95-R132 VanDerWaalsContact CB-O 3.27Å; S95-R132 WeakPolarHBondContact CB-O 3.27Å
96G98.3Very high97.6Very high21 Ų2144.4 Ų44.422%0.21623%0.225CC..EExtended strand (participates in β ladder)trans115.2-159.5167.300000114.8R132 C133 N134 D199G96-R132 PolarHBondContact N-O 2.87Å; G96-C133 CarbonylContact O-C 3.48Å; G96-C133 VanDerWaalsContact O-CA 3.26Å; G96-C133 WeakPolarHBondContact O-CA 3.49Å; G96-N134 PolarHBondContact O-N 2.76Å; G96-D199 WeakPolarHBondContact CA-OD2 3.46Å
97N98.7Very high97.5Very high48 Ų4845 Ų4526%0.25723%0.228SC..EExtended strand (participates in β ladder)trans-96.5124.8-170.2-67-45.2000111.6N134 P197 D199 I200N97-N134 WeakPolarHBondContact CA-O 3.3Å; N97-N134 WeakPolarHBondContact OD1-CB 3.47Å; N97-N134 PolarHBondContact OD1-ND2 3.05Å; N97-P197 WeakPolarHBondContact CB-O 3.12Å; N97-P197 PolarHBondContact ND2-O 3.01Å; N97-D199 PolarHBondContact N-OD2 3.24Å; N97-D199 WeakPolarHBondContact O-CA 3.19Å; N97-D199 PolarHBondContact O-N 3.19Å; N97-I200 PolarHBondContact O-N 3.42Å; N97-I200 VanDerWaalsContact O-N 3.1Å
98L98.9Very high97.4Very high0 Ų043.5 Ų43.50%022%0.223CC..EExtended strand (participates in β ladder)trans-110.9115.1171.5-65.284.3000108.9F100 T120 L124 C133 N134 I135 N136 I200L98-F100 HydrophobicContact CB-CE2 3.93Å; L98-T120 HydrophobicContact CD2-CG2 3.43Å; L98-T120 VanDerWaalsContact CD2-CG2 3.43Å; L98-L124 HydrophobicContact CD1-CD1 4.22Å; L98-L124 HydrophobicContact CD2-CD1 3.87Å; L98-C133 HydrophobicContact CD1-CB 3.75Å; L98-N134 PolarHBondContact N-O 3.29Å; L98-I135 HydrophobicContact CB-CG1 4.35Å; L98-I135 WeakPolarHBondContact O-CA 3.2Å; L98-N136 PolarHBondContact O-N 2.95Å; L98-I200 CarbonylContact C-O 3.5Å; L98-I200 WeakPolarHBondContact CA-O 3.07Å; L98-I200 HydrophobicContact CB-CB 4.45Å; L98-I200 HydrophobicContact CD2-CB 4.2Å; L98-I200 HydrophobicContact CD2-CD1 3.9Å; L98-I200 HydrophobicContact CD2-CG1 4.39Å; L98-I200 HydrophobicContact CG-CB 3.96Å; L98-I200 HydrophobicContact CG-CD1 4.35Å; L98-I200 HydrophobicContact CG-CG1 4.34Å
99V98.9Very high97.3Very high0 Ų037.8 Ų37.80%021%0.206CC..EExtended strand (participates in β ladder)trans-109.6122.5-175.5-176.80000109.4T101 N136 F183 F196 I200 L201 H202V99-T101 HydrophobicContact CG1-CG2 4.4Å; V99-N136 CarbonylContact C-O 3.58Å; V99-N136 WeakPolarHBondContact CA-O 3.38Å; V99-F183 HydrophobicContact CG1-CE2 4.07Å; V99-F183 HydrophobicContact CG1-CZ 3.73Å; V99-F196 HydrophobicContact CG2-CB 4.23Å; V99-I200 PolarHBondContact N-O 3.35Å; V99-L201 HydrophobicContact CB-CD1 3.85Å; V99-L201 HydrophobicContact CG1-CD1 3.83Å; V99-L201 CarbonylContact O-C 3.39Å; V99-L201 WeakPolarHBondContact O-CA 3.26Å; V99-H202 PolarHBondContact O-N 3.23Å
100F98.9Very high97.2Very high1 Ų137.3 Ų37.30%0.00421%0.209CC..EExtended strand (participates in β ladder)trans-112.2134.5175.5-65.1-94.2000108.7L98 I116 M117 T120 I135 N136 Y137 N138 H202L98-F100 HydrophobicContact CB-CE2 3.93Å; F100-I116 HydrophobicContact CD1-CG2 3.88Å; F100-I116 HydrophobicContact CE1-CG1 4.4Å; F100-I116 HydrophobicContact CE1-CG2 3.97Å; F100-M117 HydrophobicContact CB-CB 4.33Å; F100-M117 HydrophobicContact CD1-CB 3.91Å; F100-M117 HydrophobicContact CD2-CB 3.91Å; F100-M117 HydrophobicContact CD2-CG 3.86Å; F100-M117 HydrophobicContact CE1-CB 4.22Å; F100-M117 HydrophobicContact CE2-CB 4.2Å; F100-M117 HydrophobicContact CE2-CG 4.13Å; F100-M117 HydrophobicContact CG-CB 3.77Å; F100-M117 HydrophobicContact CG-CG 4.2Å; F100-M117 HydrophobicContact CZ-CB 4.36Å; F100-T120 HydrophobicContact CE2-CG2 4.35Å; F100-T120 HydrophobicContact CZ-CG2 3.77Å; F100-T120 WeakPolarHBondContact CZ-OG1 3.27Å; F100-I135 HydrophobicContact CD2-CG2 3.94Å; F100-I135 HydrophobicContact CE2-CG2 3.85Å; F100-N136 PolarHBondContact N-O 2.84Å; F100-Y137 HydrophobicContact CB-CD2 3.8Å; F100-Y137 CarbonylContact O-C 3.58Å; F100-Y137 WeakPolarHBondContact O-CA 3.22Å; F100-N138 PolarHBondContact O-N 3.01Å; F100-H202 HydrophobicContact CD1-CB 3.46Å; F100-H202 VanDerWaalsContact CD1-CB 3.46Å; F100-H202 AromaticContact CD1-CG 3.85Å; F100-H202 HydrophobicContact CE1-CB 3.75Å; F100-H202 HydrophobicContact CG-CB 4.24Å
101T98.9Very high97.1Very high2 Ų237.4 Ų37.41%0.01221%0.21CC..EExtended strand (participates in β ladder)trans-112.8157.2-174.174.20000113.2V99 P113 N138 L171 F183 L201 H202 I203 A204V99-T101 HydrophobicContact CG1-CG2 4.4Å; T101-P113 VanDerWaalsContact O-CB 3.29Å; T101-P113 WeakPolarHBondContact O-CB 3.48Å; T101-N138 CarbonylContact C-O 3.48Å; T101-N138 WeakPolarHBondContact CA-O 3.25Å; T101-L171 HydrophobicContact CG2-CB 4.25Å; T101-L171 HydrophobicContact CG2-CD2 4.07Å; T101-F183 HydrophobicContact CG2-CE1 3.81Å; T101-F183 HydrophobicContact CG2-CZ 3.67Å; T101-L201 HydrophobicContact CG2-CD1 3.88Å; T101-H202 PolarHBondContact N-O 2.9Å; T101-H202 VanDerWaalsContact N-O 3.07Å; T101-H202 PolarHBondContact OG1-O 2.83Å; T101-I203 WeakPolarHBondContact OG1-CA 3.42Å; T101-A204 WeakPolarHBondContact O-CB 3.4Å; T101-A204 PolarHBondContact OG1-N 3.12Å
102F98.7Very high97.2Very high20 Ų2034.3 Ų34.39%0.08820%0.196CC..EExtended strand (participates in β ladder)trans-137.3127165.6-175-72.4000108.9I107 G110 P113 Y137 N138 C139 A140 L141F102-I107 HydrophobicContact CE1-CG2 4.43Å; F102-I107 HydrophobicContact CE2-CG2 3.84Å; F102-I107 HydrophobicContact CZ-CG2 3.61Å; F102-G110 VanDerWaalsContact CE2-O 3.28Å; F102-G110 WeakPolarHBondContact CE2-O 3.47Å; F102-P113 HydrophobicContact CD2-CB 4.38Å; F102-P113 HydrophobicContact CD2-CG 3.91Å; F102-Y137 HydrophobicContact CB-CE2 4.17Å; F102-Y137 WeakPolarHBondContact CB-OH 3.47Å; F102-Y137 VanDerWaalsContact CD2-OH 3.26Å; F102-Y137 WeakPolarHBondContact CD2-OH 3.43Å; F102-N138 PolarHBondContact N-O 3.46Å; F102-C139 HydrophobicContact CB-CB 4.31Å; F102-A140 VanDerWaalsContact O-CB 3.23Å; F102-A140 WeakPolarHBondContact O-CB 3.1Å; F102-A140 PolarHBondContact O-N 3.41Å; F102-L141 HydrophobicContact CD1-CD1 4.18Å; F102-L141 HydrophobicContact CD1-CG 4.01Å; F102-L141 HydrophobicContact CE1-CD1 3.43Å; F102-L141 VanDerWaalsContact CE1-CD1 3.43Å; F102-L141 HydrophobicContact CE1-CD2 4.41Å; F102-L141 HydrophobicContact CE1-CG 3.66Å; F102-L141 HydrophobicContact CZ-CD1 3.83Å
103P97.9Very high97.3Very high4 Ų431.2 Ų31.23%0.02617%0.171CC..  trans-79.5163.4-172.335.9-39.3000112.8T105 I107 A140 P206P103-T105 VanDerWaalsContact C-N 3.28Å; P103-T105 PolarHBondContact O-N 3.14Å; P103-I107 HydrophobicContact CG-CB 4.49Å; P103-I107 HydrophobicContact CG-CD1 3.97Å; P103-A140 VanDerWaalsContact C-CB 3.44Å; P103-P206 HydrophobicContact CB-CB 4.27Å; P103-P206 HydrophobicContact CB-CG 4.04Å
104K95.2Very high97.3Very high137 Ų13730.4 Ų30.460%0.59617%0.166SC*.SBendtrans-72.4-17.6174.5-164.8173.3-177.1175.80113.9A140 N170K104-A140 HydrophobicContact CB-CB 3.92Å; K104-A140 VanDerWaalsContact N-CB 3.34Å; K104-N170 PolarHBondContact N-OD1 2.96Å
105T95.7Very high97.4Very high40 Ų4026 Ų2625%0.24515%0.145CC..SBendtrans-82.1173-179.565.80000112.1M61 P103 P206 F207M61-T105 HydrophobicContact CE-CG2 4.05Å; P103-T105 VanDerWaalsContact C-N 3.28Å; P103-T105 PolarHBondContact O-N 3.14Å; T105-P206 HydrophobicContact CG2-CB 3.86Å; T105-P206 VanDerWaalsContact OG1-CA 3.25Å; T105-P206 WeakPolarHBondContact OG1-CA 3.02Å; T105-F207 PolarHBondContact OG1-N 3.12Å
106E93.2Very high97.4Very high76 Ų7623 Ų2336%0.35512%0.124SC..  trans-57.2156.9161.2-61.7-168.5163.400111.3M55 F207 Y225 K254M55-E106 HydrophobicContact CE-CB 4.38Å; E106-F207 WeakPolarHBondContact O-CB 3.3Å; E106-Y225 WeakPolarHBondContact OE2-CE2 3.23Å; E106-Y225 PolarHBondContact OE2-OH 2.85Å; E106-K254 WeakPolarHBondContact OE2-CE 3.25Å; E106-K254 IonicContact OE2-NZ 3.97Å; E106-K254 PolarHBondContact OE2-NZ 3Å
107I96.3Very high97.4Very high15 Ų1522 Ų228%0.07711%0.114CC..  trans-151.4144.2-178.1-173.2161000110.8Y78 F102 P103 P113 A204 F207Y78-I107 HydrophobicContact CE1-CD1 3.97Å; Y78-I107 HydrophobicContact CE1-CG1 3.87Å; Y78-I107 HydrophobicContact CE2-CD1 4.08Å; Y78-I107 VanDerWaalsContact CZ-CD1 3.49Å; Y78-I107 WeakPolarHBondContact OH-CD1 3.41Å; Y78-I107 WeakPolarHBondContact OH-CG1 3.48Å; F102-I107 HydrophobicContact CE1-CG2 4.43Å; F102-I107 HydrophobicContact CE2-CG2 3.84Å; F102-I107 HydrophobicContact CZ-CG2 3.61Å; P103-I107 HydrophobicContact CG-CB 4.49Å; P103-I107 HydrophobicContact CG-CD1 3.97Å; I107-P113 HydrophobicContact CD1-CG 4.27Å; I107-A204 HydrophobicContact CD1-CB 3.91Å; I107-F207 HydrophobicContact CB-CD2 4.19Å; I107-F207 HydrophobicContact CD1-CD2 4.26Å; I107-F207 HydrophobicContact CD1-CE2 4.08Å; I107-F207 HydrophobicContact CG1-CD2 3.7Å; I107-F207 HydrophobicContact CG1-CE2 3.72Å
108K95.8Very high97.4Very high56 Ų5619.7 Ų19.724%0.24310%0.102CC..THydrogen-bonded Turntrans-71.1133.8169.158.9-170.5179.2-170.60110.5M55 Y78 F207M55-K108 HydrophobicContact CG-CB 4.32Å; M55-K108 HydrophobicContact CG-CD 4.23Å; M55-K108 HydrophobicContact CG-CG 4.49Å; M55-K108 HydrophobicContact SD-CB 3.51Å; M55-K108 VanDerWaalsContact SD-CB 3.51Å; M55-K108 HydrophobicContact SD-CD 4.48Å; M55-K108 HydrophobicContact SD-CG 4.14Å; M55-K108 PolarHBondContact SD-N 3.46Å; Y78-K108 HydrophobicContact CD1-CG 4.11Å; Y78-K108 HydrophobicContact CE1-CG 3.86Å; Y78-K108 VanDerWaalsContact CE1-O 3.28Å; Y78-K108 WeakPolarHBondContact CE1-O 3.23Å; Y78-K108 PolarHBondContact OH-O 2.58Å; K108-F207 HydrophobicContact CD-CE1 4.15Å; K108-F207 HydrophobicContact CD-CZ 4.37Å; K108-F207 HydrophobicContact CG-CE1 4.26Å; K108-F207 HydrophobicContact CG-CZ 4.15Å
109C96.4Very high97.4Very high34 Ų3419.7 Ų19.723%0.2310%0.102CC..THydrogen-bonded Turntrans48.568.3-178.6-175.90000112.1Y78 G111 A112 K115 K254Y78-C109 PolarHBondContact OH-O 2.75Å; C109-G111 PolarHBondContact O-N 2.79Å; C109-A112 HydrophobicContact CB-CB 4.36Å; C109-A112 VanDerWaalsContact O-CB 3.28Å; C109-A112 WeakPolarHBondContact O-CB 3.3Å; C109-A112 PolarHBondContact O-N 2.99Å; C109-K115 PolarHBondContact SG-NZ 3.27Å; C109-K254 PolarHBondContact N-O 3.05Å
110G94.4Very high97.4Very high18 Ų1819.7 Ų19.719%0.18610%0.102CC..THydrogen-bonded Turntrans-55.9-17-177.600000116F102 A112 P113F102-G110 VanDerWaalsContact CE2-O 3.28Å; F102-G110 WeakPolarHBondContact CE2-O 3.47Å; G110-A112 VanDerWaalsContact C-N 3.34Å; G110-P113 VanDerWaalsContact O-CD 3.31Å; G110-P113 WeakPolarHBondContact O-CD 3.43Å
111G97.3Very high97.4Very high1 Ų119.8 Ų19.81%0.0110%0.102CC..THydrogen-bonded Turntrans-75.5-17169.700000114.5C109 P113 Q114 K115C109-G111 PolarHBondContact O-N 2.79Å; G111-P113 VanDerWaalsContact C-CD 3.45Å; G111-Q114 WeakPolarHBondContact O-CG 3.33Å; G111-Q114 PolarHBondContact O-N 2.68Å; G111-K115 VanDerWaalsContact C-CE 3.43Å; G111-K115 WeakPolarHBondContact O-CE 3.29Å; G111-K115 WeakPolarHBondContact O-CG 3.4Å; G111-K115 PolarHBondContact O-N 2.93Å
112A98.2Very high97.3Very high5 Ų522.9 Ų22.94%0.04111%0.113CC..Hα-helixtrans-62.7-36.2-171.500000114.9I77 C109 G110 Q114 K115 I116I77-A112 HydrophobicContact CD1-CB 3.83Å; I77-A112 WeakPolarHBondContact CD1-O 3.48Å; C109-A112 HydrophobicContact CB-CB 4.36Å; C109-A112 VanDerWaalsContact O-CB 3.28Å; C109-A112 WeakPolarHBondContact O-CB 3.3Å; C109-A112 PolarHBondContact O-N 2.99Å; G110-A112 VanDerWaalsContact C-N 3.34Å; A112-Q114 PolarHBondContact O-N 2.82Å; A112-K115 WeakPolarHBondContact O-CB 3.49Å; A112-K115 PolarHBondContact O-N 3.34Å; A112-I116 PolarHBondContact O-N 3.12Å
113P98.4Very high97.3Very high0 Ų022 Ų220%011%0.11CC..Hα-helixtrans-63-40.9178.6-24.937.7000113.4Y78 T101 F102 I107 G110 G111 I116 M117 Y137 A204Y78-P113 HydrophobicContact CE2-CG 4.12Å; Y78-P113 WeakPolarHBondContact OH-CD 3.33Å; Y78-P113 WeakPolarHBondContact OH-CG 3.34Å; T101-P113 VanDerWaalsContact O-CB 3.29Å; T101-P113 WeakPolarHBondContact O-CB 3.48Å; F102-P113 HydrophobicContact CD2-CB 4.38Å; F102-P113 HydrophobicContact CD2-CG 3.91Å; I107-P113 HydrophobicContact CD1-CG 4.27Å; G110-P113 VanDerWaalsContact O-CD 3.31Å; G110-P113 WeakPolarHBondContact O-CD 3.43Å; G111-P113 VanDerWaalsContact C-CD 3.45Å; P113-I116 WeakPolarHBondContact O-CG2 3.49Å; P113-M117 PolarHBondContact O-N 3.08Å; P113-Y137 HydrophobicContact CB-CE2 3.88Å; P113-A204 HydrophobicContact CB-CB 4.04Å; P113-A204 HydrophobicContact CG-CB 3.61Å
114Q97.9Very high97.3Very high0 Ų021.9 Ų21.90%011%0.109CC..Hα-helixtrans-75.4-31.8173.560.7-176.1-75.400112.8G111 A112 I116 M117 Y118 Y137 M144 L293G111-Q114 WeakPolarHBondContact O-CG 3.33Å; G111-Q114 PolarHBondContact O-N 2.68Å; A112-Q114 PolarHBondContact O-N 2.82Å; Q114-I116 VanDerWaalsContact C-N 3.32Å; Q114-I116 PolarHBondContact O-N 3.22Å; Q114-M117 HydrophobicContact CB-CE 4.26Å; Q114-M117 WeakPolarHBondContact O-CB 3.34Å; Q114-M117 PolarHBondContact O-N 3.13Å; Q114-Y118 HydrophobicContact CB-CE2 4.02Å; Q114-Y118 HydrophobicContact CG-CE2 4.16Å; Q114-Y118 WeakPolarHBondContact O-CD2 3.39Å; Q114-Y118 PolarHBondContact O-N 3.43Å; Q114-Y137 HydrophobicContact CB-CE1 4.41Å; Q114-Y137 HydrophobicContact CB-CE2 4.43Å; Q114-M144 PolarHBondContact NE2-O 3.47Å; Q114-L293 HydrophobicContact CG-CD2 4.21Å
115K98.6Very high97.5Very high5 Ų520.6 Ų20.62%0.02210%0.1CC..Hα-helixtrans-56.9-47.7175.4-71.8170.8-145.4-167.50111.3T3 C109 G111 A112 M117 Y118 L119 C291 P292 L293 F294T3-K115 HydrophobicContact CG2-CB 3.58Å; T3-K115 HydrophobicContact CG2-CD 4.27Å; C109-K115 PolarHBondContact SG-NZ 3.27Å; G111-K115 VanDerWaalsContact C-CE 3.43Å; G111-K115 WeakPolarHBondContact O-CE 3.29Å; G111-K115 WeakPolarHBondContact O-CG 3.4Å; G111-K115 PolarHBondContact O-N 2.93Å; A112-K115 WeakPolarHBondContact O-CB 3.49Å; A112-K115 PolarHBondContact O-N 3.34Å; K115-M117 VanDerWaalsContact C-N 3.3Å; K115-M117 PolarHBondContact O-N 3.29Å; K115-Y118 PolarHBondContact O-N 3.42Å; K115-L119 WeakPolarHBondContact O-CG 3.43Å; K115-L119 PolarHBondContact O-N 3.1Å; K115-C291 VanDerWaalsContact CE-SG 3.53Å; K115-C291 PolarHBondContact NZ-SG 2.73Å; K115-P292 VanDerWaalsContact CD-O 3.27Å; K115-P292 WeakPolarHBondContact CD-O 3.49Å; K115-P292 WeakPolarHBondContact CE-O 3.13Å; K115-P292 PolarHBondContact NZ-O 3.05Å; K115-L293 HydrophobicContact CG-CD2 4.49Å; K115-F294 HydrophobicContact CB-CB 4.41Å; K115-F294 HydrophobicContact CD-CD2 3.93Å; K115-F294 HydrophobicContact CG-CB 4.35Å
116I98.6Very high97.5Very high0 Ų026.2 Ų26.20%012%0.121CC..Hα-helixtrans-70.4-29.6-179.1-168.962.7000112.3G6 I77 V86 F100 A112 P113 Q114 T120G6-I116 VanDerWaalsContact C-CD1 3.49Å; I77-I116 HydrophobicContact CD1-CB 4.03Å; I77-I116 HydrophobicContact CD1-CG2 3.98Å; I77-I116 HydrophobicContact CG2-CB 4.27Å; I77-I116 HydrophobicContact CG2-CD1 4.05Å; I77-I116 HydrophobicContact CG2-CG1 3.85Å; V86-I116 HydrophobicContact CG1-CD1 3.8Å; V86-I116 HydrophobicContact CG1-CG1 3.76Å; F100-I116 HydrophobicContact CD1-CG2 3.88Å; F100-I116 HydrophobicContact CE1-CG1 4.4Å; F100-I116 HydrophobicContact CE1-CG2 3.97Å; A112-I116 PolarHBondContact O-N 3.12Å; P113-I116 WeakPolarHBondContact O-CG2 3.49Å; Q114-I116 VanDerWaalsContact C-N 3.32Å; Q114-I116 PolarHBondContact O-N 3.22Å; I116-T120 VanDerWaalsContact O-CB 3.3Å; I116-T120 WeakPolarHBondContact O-CB 3.18Å; I116-T120 PolarHBondContact O-N 2.77Å; I116-T120 PolarHBondContact O-OG1 3.49Å
117M98.7Very high97.7Very high0 Ų026 Ų260%012%0.117CC..Hα-helixtrans-58.9-51.4168177.9-164.360.400110.9F100 P113 Q114 K115 L119 T120 D121 I135 Y137 M144 L163F100-M117 HydrophobicContact CB-CB 4.33Å; F100-M117 HydrophobicContact CD1-CB 3.91Å; F100-M117 HydrophobicContact CD2-CB 3.91Å; F100-M117 HydrophobicContact CD2-CG 3.86Å; F100-M117 HydrophobicContact CE1-CB 4.22Å; F100-M117 HydrophobicContact CE2-CB 4.2Å; F100-M117 HydrophobicContact CE2-CG 4.13Å; F100-M117 HydrophobicContact CG-CB 3.77Å; F100-M117 HydrophobicContact CG-CG 4.2Å; F100-M117 HydrophobicContact CZ-CB 4.36Å; P113-M117 PolarHBondContact O-N 3.08Å; Q114-M117 HydrophobicContact CB-CE 4.26Å; Q114-M117 WeakPolarHBondContact O-CB 3.34Å; Q114-M117 PolarHBondContact O-N 3.13Å; K115-M117 VanDerWaalsContact C-N 3.3Å; K115-M117 PolarHBondContact O-N 3.29Å; M117-L119 PolarHBondContact O-N 3.09Å; M117-T120 WeakPolarHBondContact O-CB 3.35Å; M117-T120 PolarHBondContact O-N 3.14Å; M117-T120 VanDerWaalsContact O-N 3.14Å; M117-D121 PolarHBondContact O-N 2.64Å; M117-I135 HydrophobicContact CG-CG2 3.6Å; M117-I135 HydrophobicContact SD-CG2 4.1Å; M117-Y137 VanDerWaalsContact SD-CB 3.57Å; M117-Y137 HydrophobicContact SD-CG 4.19Å; M117-M144 HydrophobicContact CE-CE 4.39Å; M117-L163 HydrophobicContact CE-CB 4.47Å; M117-L163 HydrophobicContact CE-CD1 3.74Å; M117-L163 HydrophobicContact CG-CD1 4.28Å; M117-L163 HydrophobicContact SD-CB 4.11Å; M117-L163 HydrophobicContact SD-CD1 4.01Å
118Y98.7Very high97.7Very high0 Ų028 Ų280%014%0.142CC..Hα-helixtrans-62.3-40.1179.7-61-52.4000113Q114 K115 T120 D121 W122 M144 L154 I157 A158 L163 T295Q114-Y118 HydrophobicContact CB-CE2 4.02Å; Q114-Y118 HydrophobicContact CG-CE2 4.16Å; Q114-Y118 WeakPolarHBondContact O-CD2 3.39Å; Q114-Y118 PolarHBondContact O-N 3.43Å; K115-Y118 PolarHBondContact O-N 3.42Å; Y118-T120 VanDerWaalsContact C-N 3.32Å; Y118-D121 PolarHBondContact O-N 2.73Å; Y118-W122 PolarHBondContact O-N 3.22Å; Y118-W122 VanDerWaalsContact O-N 3.11Å; Y118-M144 WeakPolarHBondContact OH-CE 3.43Å; Y118-L154 HydrophobicContact CE2-CD2 4.12Å; Y118-L154 PolarHBondContact OH-O 2.93Å; Y118-I157 HydrophobicContact CD1-CG2 4.29Å; Y118-I157 HydrophobicContact CE1-CG2 3.89Å; Y118-A158 HydrophobicContact CE1-CB 4.34Å; Y118-L163 HydrophobicContact CD1-CD1 3.69Å; Y118-L163 HydrophobicContact CE1-CD1 3.9Å; Y118-T295 WeakPolarHBondContact CB-O 3.2Å; Y118-T295 HydrophobicContact CD2-CG2 4.16Å; Y118-T295 HydrophobicContact CE2-CG2 4.24Å
119L98.6Very high97.8Very high0 Ų025.5 Ų25.50%013%0.131CC..Hα-helixtrans-66.1-36.6175.3-65-179.6000111.6T3 L9 K115 M117 W122 I123 F294 S296 P297T3-L119 HydrophobicContact CG2-CD1 4.05Å; L9-L119 HydrophobicContact CD1-CD2 4.27Å; K115-L119 WeakPolarHBondContact O-CG 3.43Å; K115-L119 PolarHBondContact O-N 3.1Å; M117-L119 PolarHBondContact O-N 3.09Å; L119-W122 PolarHBondContact O-N 3.41Å; L119-I123 WeakPolarHBondContact O-CD1 3.04Å; L119-I123 VanDerWaalsContact O-CG1 3.26Å; L119-I123 WeakPolarHBondContact O-CG1 3.33Å; L119-I123 PolarHBondContact O-N 2.91Å; L119-F294 HydrophobicContact CD1-CB 4.43Å; L119-F294 HydrophobicContact CD2-CB 4.34Å; L119-F294 HydrophobicContact CG-CB 4.48Å; L119-S296 VanDerWaalsContact CD2-C 3.44Å; L119-P297 HydrophobicContact CD2-CG 4.05Å
120T98.6Very high97.8Very high0 Ų024.4 Ų24.40%012%0.122CC..Hα-helixtrans-65.2-46.5175.2-61.40000111.7V90 L98 F100 I116 M117 Y118 W122 I123 L124V90-T120 HydrophobicContact CB-CG2 4.46Å; V90-T120 HydrophobicContact CG1-CG2 3.75Å; V90-T120 HydrophobicContact CG2-CG2 3.73Å; L98-T120 HydrophobicContact CD2-CG2 3.43Å; L98-T120 VanDerWaalsContact CD2-CG2 3.43Å; F100-T120 HydrophobicContact CE2-CG2 4.35Å; F100-T120 HydrophobicContact CZ-CG2 3.77Å; F100-T120 WeakPolarHBondContact CZ-OG1 3.27Å; I116-T120 VanDerWaalsContact O-CB 3.3Å; I116-T120 WeakPolarHBondContact O-CB 3.18Å; I116-T120 PolarHBondContact O-N 2.77Å; I116-T120 PolarHBondContact O-OG1 3.49Å; M117-T120 WeakPolarHBondContact O-CB 3.35Å; M117-T120 PolarHBondContact O-N 3.14Å; M117-T120 VanDerWaalsContact O-N 3.14Å; Y118-T120 VanDerWaalsContact C-N 3.32Å; T120-W122 VanDerWaalsContact C-N 3.28Å; T120-W122 PolarHBondContact O-N 3Å; T120-I123 PolarHBondContact O-N 3.28Å; T120-I123 VanDerWaalsContact O-N 3.1Å; T120-L124 HydrophobicContact CG2-CD1 4.04Å; T120-L124 HydrophobicContact CG2-CG 4.41Å; T120-L124 WeakPolarHBondContact O-CG 3.3Å; T120-L124 PolarHBondContact O-N 3.16Å
121D98.6Very high98Very high2 Ų230.9 Ų30.91%0.01115%0.153CC..Hα-helixtrans-53.1-47173.5172.371.1000111.1M117 Y118 I123 L124 R125 R130 I135 L163M117-D121 PolarHBondContact O-N 2.64Å; Y118-D121 PolarHBondContact O-N 2.73Å; D121-I123 PolarHBondContact O-N 3.46Å; D121-L124 PolarHBondContact O-N 2.83Å; D121-R125 VanDerWaalsContact CG-NE 3.34Å; D121-R125 WeakPolarHBondContact O-CG 3.04Å; D121-R125 PolarHBondContact O-N 2.77Å; D121-R125 IonicContact OD1-CZ 3.65Å; D121-R125 IonicContact OD1-NE 3.14Å; D121-R125 PolarHBondContact OD1-NE 3.42Å; D121-R125 IonicContact OD1-NH2 3.05Å; D121-R125 PolarHBondContact OD1-NH2 3.41Å; D121-R125 IonicContact OD2-CZ 2.8Å; D121-R125 IonicContact OD2-NE 2.69Å; D121-R125 PolarHBondContact OD2-NE 3.33Å; D121-R125 IonicContact OD2-NH2 2.58Å; D121-R130 WeakPolarHBondContact OD1-CD 3.46Å; D121-R130 IonicContact OD1-CZ 3.89Å; D121-R130 IonicContact OD1-NE 3.94Å; D121-R130 PolarHBondContact OD1-NE 3.48Å; D121-R130 IonicContact OD1-NH2 3.8Å; D121-I135 HydrophobicContact CB-CD1 3.89Å; D121-L163 HydrophobicContact CB-CD1 4.39Å; D121-L163 HydrophobicContact CB-CD2 3.95Å
122W98.1Very high98.1Very high67 Ų6737.7 Ų37.725%0.25418%0.178SC..Hα-helixtrans-62-42.9176.9-178.293.8000112.9Y118 L119 T120 L124 R125 K126 P297 H298Y118-W122 PolarHBondContact O-N 3.22Å; Y118-W122 VanDerWaalsContact O-N 3.11Å; L119-W122 PolarHBondContact O-N 3.41Å; T120-W122 VanDerWaalsContact C-N 3.28Å; T120-W122 PolarHBondContact O-N 3Å; W122-L124 VanDerWaalsContact C-N 3.33Å; W122-L124 PolarHBondContact O-N 3.2Å; W122-R125 PolarHBondContact O-N 2.92Å; W122-K126 HydrophobicContact CE3-CB 4.4Å; W122-K126 HydrophobicContact CE3-CD 4.43Å; W122-K126 HydrophobicContact CH2-CD 3.28Å; W122-K126 HydrophobicContact CH2-CG 4.48Å; W122-K126 HydrophobicContact CZ2-CD 3.83Å; W122-K126 HydrophobicContact CZ3-CB 4.37Å; W122-K126 HydrophobicContact CZ3-CD 3.6Å; W122-K126 WeakPolarHBondContact O-CB 3.38Å; W122-K126 PolarHBondContact O-N 3.29Å; W122-P297 HydrophobicContact CB-CG 4.42Å; W122-P297 HydrophobicContact CD2-CB 4.48Å; W122-P297 VanDerWaalsContact CD2-CD 3.48Å; W122-P297 HydrophobicContact CD2-CG 3.37Å; W122-P297 HydrophobicContact CE3-CG 3.44Å; W122-P297 VanDerWaalsContact CE3-CG 3.44Å; W122-P297 HydrophobicContact CG-CG 3.83Å; W122-P297 HydrophobicContact CH2-CB 4.38Å; W122-P297 HydrophobicContact CH2-CG 3.97Å; W122-P297 HydrophobicContact CZ2-CB 4.3Å; W122-P297 HydrophobicContact CZ2-CG 3.97Å; W122-P297 HydrophobicContact CZ3-CG 3.74Å; W122-H298 AromaticContact CZ2-NE2 3.97Å
123I98Very high98.1Very high3 Ų337.8 Ų37.82%0.01518%0.178CC..Hα-helixtrans-60.7-45.6179.4-69.1160.7000110.1Y87 V90 L119 T120 D121 K126 R127Y87-I123 HydrophobicContact CD2-CD1 3.69Å; Y87-I123 HydrophobicContact CE2-CD1 3.86Å; Y87-I123 HydrophobicContact CE2-CG1 4.28Å; V90-I123 HydrophobicContact CG1-CB 3.88Å; V90-I123 HydrophobicContact CG1-CD1 4.09Å; V90-I123 HydrophobicContact CG1-CG2 3.6Å; L119-I123 WeakPolarHBondContact O-CD1 3.04Å; L119-I123 VanDerWaalsContact O-CG1 3.26Å; L119-I123 WeakPolarHBondContact O-CG1 3.33Å; L119-I123 PolarHBondContact O-N 2.91Å; T120-I123 PolarHBondContact O-N 3.28Å; T120-I123 VanDerWaalsContact O-N 3.1Å; D121-I123 PolarHBondContact O-N 3.46Å; I123-K126 PolarHBondContact O-N 2.82Å; I123-R127 HydrophobicContact CG2-CG 4.48Å; I123-R127 WeakPolarHBondContact O-CB 3.18Å; I123-R127 WeakPolarHBondContact O-CG 3.48Å; I123-R127 PolarHBondContact O-N 3.22Å
124L98.5Very high98.1Very high0 Ų040.4 Ų40.40%019%0.192CC..Hα-helixtrans-65.3-39.5179.4-65.5171.3000112.1V90 V93 L98 T120 D121 W122 R127 G128 N129 R130 C133 I135V90-L124 HydrophobicContact CG1-CD2 4.38Å; V90-L124 HydrophobicContact CG1-CG 4.44Å; V93-L124 HydrophobicContact CG1-CD2 3.73Å; L98-L124 HydrophobicContact CD1-CD1 4.22Å; L98-L124 HydrophobicContact CD2-CD1 3.87Å; T120-L124 HydrophobicContact CG2-CD1 4.04Å; T120-L124 HydrophobicContact CG2-CG 4.41Å; T120-L124 WeakPolarHBondContact O-CG 3.3Å; T120-L124 PolarHBondContact O-N 3.16Å; D121-L124 PolarHBondContact O-N 2.83Å; W122-L124 VanDerWaalsContact C-N 3.33Å; W122-L124 PolarHBondContact O-N 3.2Å; L124-R127 CarbonylContact O-C 3.58Å; L124-R127 PolarHBondContact O-N 3.41Å; L124-G128 PolarHBondContact O-N 3.24Å; L124-G128 VanDerWaalsContact O-N 3.09Å; L124-N129 WeakPolarHBondContact CA-OD1 3.31Å; L124-N129 WeakPolarHBondContact CD2-OD1 3.48Å; L124-N129 PolarHBondContact O-N 3.38Å; L124-N129 VanDerWaalsContact O-N 3.11Å; L124-N129 PolarHBondContact O-OD1 3.19Å; L124-R130 HydrophobicContact CB-CB 4.08Å; L124-R130 PolarHBondContact O-N 3.49Å; L124-C133 HydrophobicContact CD1-CB 3.92Å; L124-I135 HydrophobicContact CD1-CD1 3.99Å; L124-I135 HydrophobicContact CD1-CG1 4.49Å
125R97.8Very high98.1Very high111 Ų11140.4 Ų40.442%0.41919%0.192SC..Hα-helixtrans-62-46.7173.7-72.4175.8-172.2-77.2-6.2111.2D121 W122 R127 G128 R130 R161D121-R125 VanDerWaalsContact CG-NE 3.34Å; D121-R125 WeakPolarHBondContact O-CG 3.04Å; D121-R125 PolarHBondContact O-N 2.77Å; D121-R125 IonicContact OD1-CZ 3.65Å; D121-R125 IonicContact OD1-NE 3.14Å; D121-R125 PolarHBondContact OD1-NE 3.42Å; D121-R125 IonicContact OD1-NH2 3.05Å; D121-R125 PolarHBondContact OD1-NH2 3.41Å; D121-R125 IonicContact OD2-CZ 2.8Å; D121-R125 IonicContact OD2-NE 2.69Å; D121-R125 PolarHBondContact OD2-NE 3.33Å; D121-R125 IonicContact OD2-NH2 2.58Å; W122-R125 PolarHBondContact O-N 2.92Å; R125-R127 PolarHBondContact O-N 2.86Å; R125-G128 PolarHBondContact O-N 3.07Å; R125-R130 HydrophobicContact CB-CB 4.49Å; R125-R130 HydrophobicContact CG-CB 3.73Å; R125-R130 HydrophobicContact CG-CG 3.75Å; R125-R161 PolarHBondContact NH2-O 2.87Å
126K96.8Very high98.1Very high157 Ų15740.7 Ų40.768%0.68319%0.194SC*.Hα-helixtrans-60.8-33.2176.9-179.2172176.8-177.40112.5W122 I123 G128W122-K126 HydrophobicContact CE3-CB 4.4Å; W122-K126 HydrophobicContact CE3-CD 4.43Å; W122-K126 HydrophobicContact CH2-CD 3.28Å; W122-K126 HydrophobicContact CH2-CG 4.48Å; W122-K126 HydrophobicContact CZ2-CD 3.83Å; W122-K126 HydrophobicContact CZ3-CB 4.37Å; W122-K126 HydrophobicContact CZ3-CD 3.6Å; W122-K126 WeakPolarHBondContact O-CB 3.38Å; W122-K126 PolarHBondContact O-N 3.29Å; I123-K126 PolarHBondContact O-N 2.82Å; K126-G128 VanDerWaalsContact C-N 3.32Å
127R96.7Very high98.2Very high71 Ų7140.7 Ų40.727%0.26819%0.194SC..THydrogen-bonded Turntrans-81.9-6.4176.7-70.5179.267.7-134-12.3113.8V90 Q91 V93 Q94 I123 L124 R125 N129V90-R127 PolarHBondContact O-NH1 2.81Å; Q91-R127 VanDerWaalsContact C-NH1 3.35Å; Q91-R127 PolarHBondContact O-NE 2.8Å; Q91-R127 PolarHBondContact O-NH1 2.75Å; Q91-R127 VanDerWaalsContact O-NH1 3.11Å; Q91-R127 PolarHBondContact O-NH2 2.97Å; V93-R127 PolarHBondContact O-NH1 2.91Å; V93-R127 PolarHBondContact O-NH2 3.35Å; Q94-R127 VanDerWaalsContact NE2-NH2 3.15Å; I123-R127 HydrophobicContact CG2-CG 4.48Å; I123-R127 WeakPolarHBondContact O-CB 3.18Å; I123-R127 WeakPolarHBondContact O-CG 3.48Å; I123-R127 PolarHBondContact O-N 3.22Å; L124-R127 CarbonylContact O-C 3.58Å; L124-R127 PolarHBondContact O-N 3.41Å; R125-R127 PolarHBondContact O-N 2.86Å; R127-N129 VanDerWaalsContact C-N 3.32Å; R127-N129 PolarHBondContact NH1-ND2 2.87Å; R127-N129 PolarHBondContact O-N 2.85Å
128G97.4Very high98.2Very high59 Ų5940.7 Ų40.761%0.60819%0.194SC*.THydrogen-bonded Turntrans70.224.3-179.900000114.1L124 R125 K126L124-G128 PolarHBondContact O-N 3.24Å; L124-G128 VanDerWaalsContact O-N 3.09Å; R125-G128 PolarHBondContact O-N 3.07Å; K126-G128 VanDerWaalsContact C-N 3.32Å
129N96.5Very high98.1Very high2 Ų240.8 Ų40.81%0.01120%0.195CC..  trans-125.510.6-179.971.1-20.3000114.4V93 Q94 L124 R127 D131 R132 C133V93-N129 PolarHBondContact O-ND2 3.42Å; Q94-N129 PolarHBondContact O-ND2 3.42Å; L124-N129 WeakPolarHBondContact CA-OD1 3.31Å; L124-N129 WeakPolarHBondContact CD2-OD1 3.48Å; L124-N129 PolarHBondContact O-N 3.38Å; L124-N129 VanDerWaalsContact O-N 3.11Å; L124-N129 PolarHBondContact O-OD1 3.19Å; R127-N129 VanDerWaalsContact C-N 3.32Å; R127-N129 PolarHBondContact NH1-ND2 2.87Å; R127-N129 PolarHBondContact O-N 2.85Å; N129-D131 VanDerWaalsContact C-N 3.27Å; N129-D131 PolarHBondContact O-N 3.17Å; N129-R132 VanDerWaalsContact CB-NH2 3.34Å; N129-R132 PolarHBondContact O-N 3.38Å; N129-R132 VanDerWaalsContact O-N 3.15Å; N129-C133 PolarHBondContact O-SG 3.02Å; N129-C133 VanDerWaalsContact O-SG 3.33Å
130R98.2Very high98.1Very high11 Ų1141.3 Ų41.34%0.04220%0.199CC..G310 helixtrans-55.7-39.3177.3176.657.8-176.677.94.9113.4D121 L124 R125 R132 C133 R161 D162D121-R130 WeakPolarHBondContact OD1-CD 3.46Å; D121-R130 IonicContact OD1-CZ 3.89Å; D121-R130 IonicContact OD1-NE 3.94Å; D121-R130 PolarHBondContact OD1-NE 3.48Å; D121-R130 IonicContact OD1-NH2 3.8Å; L124-R130 HydrophobicContact CB-CB 4.08Å; L124-R130 PolarHBondContact O-N 3.49Å; R125-R130 HydrophobicContact CB-CB 4.49Å; R125-R130 HydrophobicContact CG-CB 3.73Å; R125-R130 HydrophobicContact CG-CG 3.75Å; R130-R132 PolarHBondContact O-N 3.28Å; R130-C133 PolarHBondContact NH1-O 2.74Å; R130-C133 PolarHBondContact O-N 3.23Å; R130-C133 VanDerWaalsContact O-O 3.06Å; R130-R161 PolarHBondContact NH2-O 2.8Å; R130-D162 PolarHBondContact NH2-O 2.85Å; R130-D162 IonicContact NH2-OD2 2.94Å
131D97.9Very high98Very high155 Ų15544.4 Ų44.483%0.82922%0.215SC*.G310 helixtrans-69.6-15.6-176.4-54.5-24.3000112.8N129N129-D131 VanDerWaalsContact C-N 3.27Å; N129-D131 PolarHBondContact O-N 3.17Å
132R98.3Very high97.8Very high143 Ų14346.2 Ų46.254%0.5424%0.235SC..G310 helixtrans-95.12.3175-63.7-179.8-78.5170-5.2112.6S95 G96 N129 R130S95-R132 CarbonylContact C-O 3.57Å; S95-R132 WeakPolarHBondContact CA-O 3.5Å; S95-R132 VanDerWaalsContact CB-O 3.27Å; S95-R132 WeakPolarHBondContact CB-O 3.27Å; G96-R132 PolarHBondContact N-O 2.87Å; N129-R132 VanDerWaalsContact CB-NH2 3.34Å; N129-R132 PolarHBondContact O-N 3.38Å; N129-R132 VanDerWaalsContact O-N 3.15Å; R130-R132 PolarHBondContact O-N 3.28Å
133C98.7Very high97.7Very high7 Ų746 Ų465%0.04724%0.238CC..EExtended strand (participates in β ladder)trans-120.8133.4-174.5-63.80000110.5G96 L98 L124 N129 R130G96-C133 CarbonylContact O-C 3.48Å; G96-C133 VanDerWaalsContact O-CA 3.26Å; G96-C133 WeakPolarHBondContact O-CA 3.49Å; L98-C133 HydrophobicContact CD1-CB 3.75Å; L124-C133 HydrophobicContact CD1-CB 3.92Å; N129-C133 PolarHBondContact O-SG 3.02Å; N129-C133 VanDerWaalsContact O-SG 3.33Å; R130-C133 PolarHBondContact NH1-O 2.74Å; R130-C133 PolarHBondContact O-N 3.23Å; R130-C133 VanDerWaalsContact O-O 3.06Å
134N98.7Very high97.5Very high55 Ų5546.2 Ų46.229%0.29424%0.239SC..EExtended strand (participates in β ladder)trans-104.1117.5174177.527.4000109.7G96 N97 L98 N136 H164G96-N134 PolarHBondContact O-N 2.76Å; N97-N134 WeakPolarHBondContact CA-O 3.3Å; N97-N134 WeakPolarHBondContact OD1-CB 3.47Å; N97-N134 PolarHBondContact OD1-ND2 3.05Å; L98-N134 PolarHBondContact N-O 3.29Å; N134-N136 PolarHBondContact ND2-ND2 3.44Å; N134-N136 PolarHBondContact OD1-ND2 3.02Å; N134-H164 PolarHBondContact OD1-CD2 2.89Å; N134-H164 PolarHBondContact OD1-NE2 3.09Å
135I98.8Very high97.4Very high0 Ų046.8 Ų46.80%024%0.241CC..EExtended strand (participates in β ladder)trans-103.6115.1-176.8-59.3178000109.6L98 F100 M117 D121 L124 L163 H164L98-I135 HydrophobicContact CB-CG1 4.35Å; L98-I135 WeakPolarHBondContact O-CA 3.2Å; F100-I135 HydrophobicContact CD2-CG2 3.94Å; F100-I135 HydrophobicContact CE2-CG2 3.85Å; M117-I135 HydrophobicContact CG-CG2 3.6Å; M117-I135 HydrophobicContact SD-CG2 4.1Å; D121-I135 HydrophobicContact CB-CD1 3.89Å; L124-I135 HydrophobicContact CD1-CD1 3.99Å; L124-I135 HydrophobicContact CD1-CG1 4.49Å; I135-L163 HydrophobicContact CB-CD2 3.81Å; I135-L163 HydrophobicContact CD1-CD2 3.7Å; I135-L163 HydrophobicContact CG1-CD2 4.3Å; I135-L163 HydrophobicContact CG2-CD2 3.9Å; I135-H164 WeakPolarHBondContact O-CB 3.22Å; I135-H164 PolarHBondContact O-N 2.85Å
136N98.8Very high97.2Very high12 Ų1245 Ų456%0.06425%0.246CC..EExtended strand (participates in β ladder)trans-110.4128.8176.6-67.6-95.2000110.4L98 V99 F100 N134 H164 N166L98-N136 PolarHBondContact O-N 2.95Å; V99-N136 CarbonylContact C-O 3.58Å; V99-N136 WeakPolarHBondContact CA-O 3.38Å; F100-N136 PolarHBondContact N-O 2.84Å; N134-N136 PolarHBondContact ND2-ND2 3.44Å; N134-N136 PolarHBondContact OD1-ND2 3.02Å; N136-H164 CarbonylContact C-O 3.56Å; N136-H164 WeakPolarHBondContact CA-O 3.47Å; N136-N166 PolarHBondContact OD1-ND2 2.99Å
137Y98.9Very high97.2Very high0 Ų037.7 Ų37.70%021%0.214CC..EExtended strand (participates in β ladder)trans-106.9101.1166.5-177.5-122.2000109.5F100 F102 P113 Q114 M117 C139 M144 H164 V165 N166F100-Y137 HydrophobicContact CB-CD2 3.8Å; F100-Y137 CarbonylContact O-C 3.58Å; F100-Y137 WeakPolarHBondContact O-CA 3.22Å; F102-Y137 HydrophobicContact CB-CE2 4.17Å; F102-Y137 WeakPolarHBondContact CB-OH 3.47Å; F102-Y137 VanDerWaalsContact CD2-OH 3.26Å; F102-Y137 WeakPolarHBondContact CD2-OH 3.43Å; P113-Y137 HydrophobicContact CB-CE2 3.88Å; Q114-Y137 HydrophobicContact CB-CE1 4.41Å; Q114-Y137 HydrophobicContact CB-CE2 4.43Å; M117-Y137 VanDerWaalsContact SD-CB 3.57Å; M117-Y137 HydrophobicContact SD-CG 4.19Å; Y137-C139 HydrophobicContact CD1-CB 4.2Å; Y137-C139 HydrophobicContact CE1-CB 3.81Å; Y137-C139 PolarHBondContact O-N 2.92Å; Y137-M144 HydrophobicContact CD1-CE 4.38Å; Y137-M144 HydrophobicContact CD1-SD 3.86Å; Y137-M144 HydrophobicContact CE1-SD 3.78Å; Y137-H164 PolarHBondContact N-O 3Å; Y137-V165 HydrophobicContact CD1-CG1 4.1Å; Y137-V165 HydrophobicContact CD1-CG2 4.47Å; Y137-N166 PolarHBondContact O-N 3.28Å
138N98.8Very high97.2Very high0 Ų038.5 Ų38.50%023%0.229CC..EExtended strand (participates in β ladder)trans-91.7101.3-179.9-70.5-2.1000108.5F100 T101 F102 N166 H169 F183F100-N138 PolarHBondContact O-N 3.01Å; T101-N138 CarbonylContact C-O 3.48Å; T101-N138 WeakPolarHBondContact CA-O 3.25Å; F102-N138 PolarHBondContact N-O 3.46Å; N138-N166 WeakPolarHBondContact OD1-CB 3.33Å; N138-N166 PolarHBondContact OD1-ND2 2.93Å; N138-H169 CarbonylContact C-O 3.56Å; N138-H169 HydrophobicContact CB-CB 3.79Å; N138-F183 HydrophobicContact CB-CD1 3.76Å; N138-F183 HydrophobicContact CB-CE1 3.27Å; N138-F183 HydrophobicContact CB-CE2 4.45Å; N138-F183 HydrophobicContact CB-CZ 3.68Å; N138-F183 WeakPolarHBondContact ND2-CE2 3.43Å; N138-F183 WeakPolarHBondContact ND2-CZ 3.34Å
139C98.2Very high97.1Very high2 Ų239.8 Ų39.81%0.01422%0.219CC..EExtended strand (participates in β ladder)trans-103.3125.4-175.5-173.50000110.3F102 Y137 L141 N166 F167 F168 H169F102-C139 HydrophobicContact CB-CB 4.31Å; Y137-C139 HydrophobicContact CD1-CB 4.2Å; Y137-C139 HydrophobicContact CE1-CB 3.81Å; Y137-C139 PolarHBondContact O-N 2.92Å; C139-L141 PolarHBondContact O-N 3.17Å; C139-N166 PolarHBondContact N-O 3.12Å; C139-F167 HydrophobicContact CB-CD1 4.24Å; C139-F167 CarbonylContact O-C 3.54Å; C139-F167 VanDerWaalsContact O-C 3.29Å; C139-F167 WeakPolarHBondContact O-CA 3.47Å; C139-F168 WeakPolarHBondContact O-CA 3.18Å; C139-F168 PolarHBondContact O-N 2.81Å; C139-H169 CarbonylContact C-O 3.54Å; C139-H169 VanDerWaalsContact C-O 3.26Å; C139-H169 PolarHBondContact O-N 3.01Å
140A97.7Very high97.2Very high11 Ų1139.7 Ų39.79%0.09122%0.219CC..SBendtrans-65-19.9175.600000113.4F102 P103 K104 H169 N170F102-A140 VanDerWaalsContact O-CB 3.23Å; F102-A140 WeakPolarHBondContact O-CB 3.1Å; F102-A140 PolarHBondContact O-N 3.41Å; P103-A140 VanDerWaalsContact C-CB 3.44Å; K104-A140 HydrophobicContact CB-CB 3.92Å; K104-A140 VanDerWaalsContact N-CB 3.34Å; A140-H169 PolarHBondContact N-O 3.49Å; A140-N170 HydrophobicContact CB-CB 3.75Å
141L95.8Very high97.1Very high64 Ų6439.5 Ų39.534%0.33522%0.22SC..SBendtrans-88.9162.9-179.3-53.3-176.1000111.6F102 C139 I143 F167 F168F102-L141 HydrophobicContact CD1-CD1 4.18Å; F102-L141 HydrophobicContact CD1-CG 4.01Å; F102-L141 HydrophobicContact CE1-CD1 3.43Å; F102-L141 VanDerWaalsContact CE1-CD1 3.43Å; F102-L141 HydrophobicContact CE1-CD2 4.41Å; F102-L141 HydrophobicContact CE1-CG 3.66Å; F102-L141 HydrophobicContact CZ-CD1 3.83Å; C139-L141 PolarHBondContact O-N 3.17Å; L141-I143 HydrophobicContact CB-CG2 4.48Å; L141-I143 PolarHBondContact O-N 3.14Å; L141-F167 WeakPolarHBondContact O-CB 3.42Å; L141-F167 VanDerWaalsContact O-CD1 3.25Å; L141-F167 WeakPolarHBondContact O-CD1 3.06Å; L141-F168 PolarHBondContact O-N 2.99Å; L141-F168 VanDerWaalsContact O-N 3.17Å
142G96Very high97.1Very high41 Ų4138.9 Ų38.942%0.42321%0.209SC..SBendtrans-83.58.217100000114.6F168G142-F168 VanDerWaalsContact CA-CE1 3.43Å
143I95.6Very high97.1Very high62 Ų6233.1 Ų33.132%0.31819%0.19SC..SBendtrans-144.5147.2-174-162.5169.3000111.2L141 F145 A151 F167L141-I143 HydrophobicContact CB-CG2 4.48Å; L141-I143 PolarHBondContact O-N 3.14Å; I143-F145 WeakPolarHBondContact CD1-O 3.16Å; I143-F145 VanDerWaalsContact CG1-O 3.25Å; I143-F145 WeakPolarHBondContact CG1-O 3.4Å; I143-A151 HydrophobicContact CD1-CB 4.14Å; I143-A151 HydrophobicContact CG1-CB 3.98Å; I143-F167 VanDerWaalsContact C-CE1 3.41Å
144M93.9Very high97.1Very high7 Ų732.8 Ų32.83%0.03419%0.188CC..SBendtrans-73.4-30.9-179.4-166.866.6148.700112.8Q114 M117 Y118 Y137 A151 L154 A158 V165 F167Q114-M144 PolarHBondContact NE2-O 3.47Å; M117-M144 HydrophobicContact CE-CE 4.39Å; Y118-M144 WeakPolarHBondContact OH-CE 3.43Å; Y137-M144 HydrophobicContact CD1-CE 4.38Å; Y137-M144 HydrophobicContact CD1-SD 3.86Å; Y137-M144 HydrophobicContact CE1-SD 3.78Å; M144-A151 HydrophobicContact CB-CB 4.5Å; M144-L154 HydrophobicContact CG-CB 3.95Å; M144-A158 HydrophobicContact CE-CB 3.68Å; M144-V165 HydrophobicContact CE-CG2 3.56Å; M144-V165 HydrophobicContact SD-CG1 3.87Å; M144-V165 HydrophobicContact SD-CG2 4.05Å; M144-F167 HydrophobicContact CB-CE1 4.34Å; M144-F167 HydrophobicContact CB-CZ 4.3Å
145F96.6Very high97Very high12 Ų1234.2 Ų34.25%0.05319%0.19CC..SBendtrans-154.9149.9-178.6-164.9-105.6000110I143 V147 Y150 A151 L154 C291 L293 A303 F305I143-F145 WeakPolarHBondContact CD1-O 3.16Å; I143-F145 VanDerWaalsContact CG1-O 3.25Å; I143-F145 WeakPolarHBondContact CG1-O 3.4Å; F145-V147 HydrophobicContact CD1-CB 4.16Å; F145-V147 HydrophobicContact CE1-CB 4.3Å; F145-V147 HydrophobicContact CE1-CG2 4.39Å; F145-V147 PolarHBondContact O-N 2.91Å; F145-V147 VanDerWaalsContact O-N 3.1Å; F145-Y150 HydrophobicContact CD1-CD2 4.36Å; F145-Y150 HydrophobicContact CE1-CD2 4.09Å; F145-A151 HydrophobicContact CB-CB 3.89Å; F145-A151 WeakPolarHBondContact O-CB 3.32Å; F145-L154 HydrophobicContact CB-CD1 3.69Å; F145-L154 HydrophobicContact CD2-CD1 4.08Å; F145-L154 HydrophobicContact CG-CD1 3.86Å; F145-C291 HydrophobicContact CE2-CB 4.14Å; F145-C291 HydrophobicContact CZ-CB 3.83Å; F145-L293 HydrophobicContact CD2-CD2 4.18Å; F145-L293 HydrophobicContact CE2-CD1 4.2Å; F145-L293 HydrophobicContact CE2-CD2 4.03Å; F145-L293 HydrophobicContact CZ-CD1 4.31Å; F145-A303 HydrophobicContact CE1-CB 3.72Å; F145-A303 HydrophobicContact CZ-CB 3.82Å; F145-F305 HydrophobicContact CE1-CD1 4.49Å; F145-F305 AromaticContact CE1-CE1 3.66Å; F145-F305 HydrophobicContact CE1-CE1 3.66Å; F145-F305 HydrophobicContact CE1-CZ 4.16Å; F145-F305 AromaticContact CZ-CE1 3.82Å; F145-F305 HydrophobicContact CZ-CE1 3.82Å; F145-F305 HydrophobicContact CZ-CZ 4.2Å
146S93.2Very high97Very high73 Ų7339 Ų3951%0.5121%0.212SC..SBendtrans-65.5-18.1-171.359.20000114.7
147V96.3Very high96.9Very high4 Ų438.9 Ų38.92%0.02421%0.211CC..SBendtrans-112.4114.2179.91790000108.7F145 H149 Y150 A151 F305 I311F145-V147 HydrophobicContact CD1-CB 4.16Å; F145-V147 HydrophobicContact CE1-CB 4.3Å; F145-V147 HydrophobicContact CE1-CG2 4.39Å; F145-V147 PolarHBondContact O-N 2.91Å; F145-V147 VanDerWaalsContact O-N 3.1Å; V147-H149 HydrophobicContact CG1-CB 4.14Å; V147-H149 PolarHBondContact O-N 3.42Å; V147-H149 VanDerWaalsContact O-N 3.1Å; V147-Y150 HydrophobicContact CB-CD2 3.86Å; V147-Y150 HydrophobicContact CB-CE2 4.43Å; V147-Y150 HydrophobicContact CG1-CD2 3.77Å; V147-Y150 HydrophobicContact CG1-CE2 4.05Å; V147-Y150 PolarHBondContact O-N 3.23Å; V147-Y150 VanDerWaalsContact O-N 3.11Å; V147-A151 WeakPolarHBondContact O-CB 3.37Å; V147-A151 PolarHBondContact O-N 2.9Å; V147-F305 HydrophobicContact CG2-CB 4.17Å; V147-F305 HydrophobicContact CG2-CD1 3.71Å; V147-F305 HydrophobicContact CG2-CD2 3.65Å; V147-F305 HydrophobicContact CG2-CE1 3.91Å; V147-F305 HydrophobicContact CG2-CE2 3.83Å; V147-F305 HydrophobicContact CG2-CG 3.58Å; V147-F305 HydrophobicContact CG2-CZ 3.95Å; V147-I311 HydrophobicContact CG1-CD1 3.72Å
148P96Very high96.9Very high89 Ų8938.9 Ų38.958%0.57821%0.211SC*.Hα-helixtrans-52.3-36.7-174.7-30.936.1000114.4Y150 A151 K152P148-Y150 PolarHBondContact O-N 3Å; P148-A151 PolarHBondContact O-N 3.31Å; P148-K152 PolarHBondContact O-N 3.14Å
149H96.3Very high96.9Very high86 Ų8644.3 Ų44.340%0.39824%0.237SC..Hα-helixtrans-53.3-51.8178-176.372.3000112.3V147 I311 N320V147-H149 HydrophobicContact CG1-CB 4.14Å; V147-H149 PolarHBondContact O-N 3.42Å; V147-H149 VanDerWaalsContact O-N 3.1Å; H149-I311 HydrophobicContact CB-CD1 3.98Å; H149-N320 PolarHBondContact CD2-ND2 2.91Å; H149-N320 VanDerWaalsContact CD2-ND2 3.3Å; H149-N320 PolarHBondContact CE1-ND2 3.02Å; H149-N320 VanDerWaalsContact NE2-CB 3.32Å; H149-N320 WeakPolarHBondContact NE2-CB 3.4Å; H149-N320 PolarHBondContact NE2-ND2 2.82Å; H149-N320 VanDerWaalsContact NE2-ND2 3.11Å; H149-N320 PolarHBondContact O-ND2 3.17Å
150Y97.9Very high96.9Very high0 Ų048.7 Ų48.70%027%0.267CS..Hα-helixtrans-80.5-31177.5-52-70.7000112.3F145 V147 P148 K152 T153 L154 V301 A303 E304 F305 I311 E313 N320F145-Y150 HydrophobicContact CD1-CD2 4.36Å; F145-Y150 HydrophobicContact CE1-CD2 4.09Å; V147-Y150 HydrophobicContact CB-CD2 3.86Å; V147-Y150 HydrophobicContact CB-CE2 4.43Å; V147-Y150 HydrophobicContact CG1-CD2 3.77Å; V147-Y150 HydrophobicContact CG1-CE2 4.05Å; V147-Y150 PolarHBondContact O-N 3.23Å; V147-Y150 VanDerWaalsContact O-N 3.11Å; P148-Y150 PolarHBondContact O-N 3Å; Y150-K152 VanDerWaalsContact C-N 3.3Å; Y150-K152 PolarHBondContact O-N 3.42Å; Y150-T153 PolarHBondContact O-N 2.97Å; Y150-L154 WeakPolarHBondContact O-CD1 3.46Å; Y150-L154 VanDerWaalsContact O-CG 3.26Å; Y150-L154 WeakPolarHBondContact O-CG 3.43Å; Y150-L154 PolarHBondContact O-N 3.08Å; Y150-V301 HydrophobicContact CD1-CG1 4.23Å; Y150-A303 HydrophobicContact CD1-CB 3.96Å; Y150-A303 HydrophobicContact CD2-CB 3.48Å; Y150-A303 VanDerWaalsContact CD2-CB 3.48Å; Y150-A303 HydrophobicContact CE1-CB 4.11Å; Y150-A303 HydrophobicContact CE2-CB 3.65Å; Y150-A303 HydrophobicContact CG-CB 3.65Å; Y150-A303 VanDerWaalsContact CZ-CA 3.5Å; Y150-E304 PolarHBondContact OH-N 2.88Å; Y150-E304 PolarHBondContact OH-O 3.36Å; Y150-F305 HydrophobicContact CE2-CD1 4.13Å; Y150-I311 HydrophobicContact CD2-CD1 4.33Å; Y150-I311 HydrophobicContact CE2-CD1 3.51Å; Y150-E313 WeakPolarHBondContact OH-CG 3.43Å; Y150-N320 WeakPolarHBondContact CA-OD1 3.36Å; Y150-N320 HydrophobicContact CD1-CB 3.88Å; Y150-N320 WeakPolarHBondContact CD1-OD1 3.47Å; Y150-N320 HydrophobicContact CE1-CB 3.99Å
151A97.5Very high96.9Very high7 Ų749.9 Ų49.96%0.05827%0.27CS..Hα-helixtrans-58.2-42.4179.800000112.1I143 M144 F145 V147 P148 L154 Y155I143-A151 HydrophobicContact CD1-CB 4.14Å; I143-A151 HydrophobicContact CG1-CB 3.98Å; M144-A151 HydrophobicContact CB-CB 4.5Å; F145-A151 HydrophobicContact CB-CB 3.89Å; F145-A151 WeakPolarHBondContact O-CB 3.32Å; V147-A151 WeakPolarHBondContact O-CB 3.37Å; V147-A151 PolarHBondContact O-N 2.9Å; P148-A151 PolarHBondContact O-N 3.31Å; A151-L154 PolarHBondContact O-N 2.81Å; A151-Y155 WeakPolarHBondContact O-CB 3.48Å; A151-Y155 PolarHBondContact O-N 2.8Å
152K97.2Very high97Very high142 Ų14251.5 Ų51.562%0.61728%0.278SS*.Hα-helixtrans-57.7-51.1176.8-177.6-179.9178.1-178.60111.5P148 Y150 L154 Y155 Q156P148-K152 PolarHBondContact O-N 3.14Å; Y150-K152 VanDerWaalsContact C-N 3.3Å; Y150-K152 PolarHBondContact O-N 3.42Å; K152-L154 PolarHBondContact O-N 3.11Å; K152-Y155 PolarHBondContact O-N 2.58Å; K152-Q156 WeakPolarHBondContact O-CG 3.3Å; K152-Q156 PolarHBondContact O-N 2.99Å
153T97.8Very high97.1Very high21 Ų2149.9 Ų49.913%0.12926%0.26CS..Hα-helixtrans-61.1-45.7179.4-59.20000111.7Y150 Y155 Q156 I157 V301 N320Y150-T153 PolarHBondContact O-N 2.97Å; T153-Y155 VanDerWaalsContact C-N 3.32Å; T153-Y155 PolarHBondContact O-N 2.75Å; T153-Q156 PolarHBondContact O-N 3.19Å; T153-I157 HydrophobicContact CG2-CD1 3.93Å; T153-I157 HydrophobicContact CG2-CG1 4.5Å; T153-I157 VanDerWaalsContact O-CG1 3.3Å; T153-I157 WeakPolarHBondContact O-CG1 3.47Å; T153-I157 PolarHBondContact O-N 3.31Å; T153-V301 HydrophobicContact CG2-CG2 4.35Å; T153-N320 WeakPolarHBondContact CB-OD1 3.42Å; T153-N320 WeakPolarHBondContact CG2-O 3.35Å; T153-N320 PolarHBondContact OG1-ND2 3.14Å; T153-N320 VanDerWaalsContact OG1-ND2 3.11Å; T153-N320 PolarHBondContact OG1-OD1 2.95Å
154L98.4Very high97.2Very high0 Ų050.7 Ų50.70%026%0.262CS..Hα-helixtrans-64.7-37.1-179.6-66.7162.3000112.4Y118 M144 F145 Y150 A151 K152 I157 A158 L293 T295Y118-L154 HydrophobicContact CE2-CD2 4.12Å; Y118-L154 PolarHBondContact OH-O 2.93Å; M144-L154 HydrophobicContact CG-CB 3.95Å; F145-L154 HydrophobicContact CB-CD1 3.69Å; F145-L154 HydrophobicContact CD2-CD1 4.08Å; F145-L154 HydrophobicContact CG-CD1 3.86Å; Y150-L154 WeakPolarHBondContact O-CD1 3.46Å; Y150-L154 VanDerWaalsContact O-CG 3.26Å; Y150-L154 WeakPolarHBondContact O-CG 3.43Å; Y150-L154 PolarHBondContact O-N 3.08Å; A151-L154 PolarHBondContact O-N 2.81Å; K152-L154 PolarHBondContact O-N 3.11Å; L154-I157 PolarHBondContact O-N 2.87Å; L154-A158 PolarHBondContact O-N 3.3Å; L154-L293 HydrophobicContact CD1-CD1 3.7Å; L154-L293 HydrophobicContact CD1-CD2 4.02Å; L154-L293 HydrophobicContact CD1-CG 4.42Å; L154-L293 HydrophobicContact CD2-CB 4.07Å; L154-L293 HydrophobicContact CD2-CD1 4.04Å; L154-L293 HydrophobicContact CD2-CD2 4.18Å; L154-L293 HydrophobicContact CD2-CG 4.3Å; L154-L293 HydrophobicContact CG-CD1 4.34Å; L154-T295 HydrophobicContact CD2-CG2 4.29Å
155Y97.7Very high97.5Very high86 Ų8651.4 Ų51.434%0.33727%0.267SS..Hα-helixtrans-66.5-43.6174.1-171.4-105.6000111.5A151 K152 T153 I157 A158 Q159 V165 F167A151-Y155 WeakPolarHBondContact O-CB 3.48Å; A151-Y155 PolarHBondContact O-N 2.8Å; K152-Y155 PolarHBondContact O-N 2.58Å; T153-Y155 VanDerWaalsContact C-N 3.32Å; T153-Y155 PolarHBondContact O-N 2.75Å; Y155-I157 VanDerWaalsContact C-N 3.33Å; Y155-I157 PolarHBondContact O-N 3.12Å; Y155-A158 WeakPolarHBondContact O-CB 3.34Å; Y155-A158 PolarHBondContact O-N 3.32Å; Y155-A158 VanDerWaalsContact O-N 3.14Å; Y155-Q159 HydrophobicContact CD1-CG 4.18Å; Y155-Q159 HydrophobicContact CE1-CG 3.88Å; Y155-Q159 WeakPolarHBondContact O-CG 3.4Å; Y155-Q159 PolarHBondContact O-N 2.68Å; Y155-V165 HydrophobicContact CD2-CB 4.43Å; Y155-V165 HydrophobicContact CD2-CG2 4.45Å; Y155-V165 HydrophobicContact CE2-CB 4.07Å; Y155-V165 HydrophobicContact CE2-CG1 4.36Å; Y155-V165 HydrophobicContact CE2-CG2 4.45Å; Y155-F167 HydrophobicContact CD2-CE2 4.29Å; Y155-F167 HydrophobicContact CD2-CZ 4.05Å; Y155-F167 AromaticContact CE2-CE2 3.89Å; Y155-F167 HydrophobicContact CE2-CE2 3.89Å; Y155-F167 HydrophobicContact CE2-CZ 4.08Å
156Q97.9Very high97.6Very high99 Ų9952.7 Ų52.746%0.46327%0.274SS..Hα-helixtrans-61.3-39.8174.6-71.9174.2-27.100112.6K152 T153 A158 Q159 S160K152-Q156 WeakPolarHBondContact O-CG 3.3Å; K152-Q156 PolarHBondContact O-N 2.99Å; T153-Q156 PolarHBondContact O-N 3.19Å; Q156-A158 VanDerWaalsContact C-N 3.34Å; Q156-Q159 PolarHBondContact O-N 3.24Å; Q156-S160 WeakPolarHBondContact O-CB 3.23Å; Q156-S160 PolarHBondContact O-N 3.44Å; Q156-S160 PolarHBondContact O-OG 3.46Å
157I98.2Very high97.8Very high11 Ų1151.8 Ų51.86%0.05626%0.261CS..Hα-helixtrans-63.6-40.5174.2-69.3169000111Y118 T153 L154 Y155 S160 R161 T295 V301 E322Y118-I157 HydrophobicContact CD1-CG2 4.29Å; Y118-I157 HydrophobicContact CE1-CG2 3.89Å; T153-I157 HydrophobicContact CG2-CD1 3.93Å; T153-I157 HydrophobicContact CG2-CG1 4.5Å; T153-I157 VanDerWaalsContact O-CG1 3.3Å; T153-I157 WeakPolarHBondContact O-CG1 3.47Å; T153-I157 PolarHBondContact O-N 3.31Å; L154-I157 PolarHBondContact O-N 2.87Å; Y155-I157 VanDerWaalsContact C-N 3.33Å; Y155-I157 PolarHBondContact O-N 3.12Å; I157-S160 PolarHBondContact O-OG 2.93Å; I157-S160 VanDerWaalsContact O-OG 3.13Å; I157-R161 VanDerWaalsContact O-CG 3.31Å; I157-R161 WeakPolarHBondContact O-CG 3.5Å; I157-R161 PolarHBondContact O-N 3.11Å; I157-T295 HydrophobicContact CD1-CG2 3.87Å; I157-T295 HydrophobicContact CG2-CG2 4.46Å; I157-V301 HydrophobicContact CD1-CG2 4.02Å; I157-E322 HydrophobicContact CD1-CG 3.56Å; I157-E322 HydrophobicContact CG1-CG 4.39Å
158A98.4Very high97.8Very high0 Ų055.3 Ų55.30%028%0.277CS..Hα-helixtrans-64.4-47176.400000111.3Y118 M144 L154 Y155 Q156 R161 D162 L163 V165Y118-A158 HydrophobicContact CE1-CB 4.34Å; M144-A158 HydrophobicContact CE-CB 3.68Å; L154-A158 PolarHBondContact O-N 3.3Å; Y155-A158 WeakPolarHBondContact O-CB 3.34Å; Y155-A158 PolarHBondContact O-N 3.32Å; Y155-A158 VanDerWaalsContact O-N 3.14Å; Q156-A158 VanDerWaalsContact C-N 3.34Å; A158-R161 CarbonylContact O-C 3.29Å; A158-R161 PolarHBondContact O-N 3.19Å; A158-D162 PolarHBondContact O-N 3.31Å; A158-L163 HydrophobicContact CB-CB 4.08Å; A158-L163 WeakPolarHBondContact O-CB 3.44Å; A158-L163 PolarHBondContact O-N 2.94Å; A158-V165 HydrophobicContact CB-CG2 3.85Å
159Q97.8Very high98Very high114 Ų11451.9 Ų51.953%0.53325%0.253SS..Hα-helixtrans-61.9-44.9178.5-70.4-174.7-59.500112.7Y155 Q156 R161 D162Y155-Q159 HydrophobicContact CD1-CG 4.18Å; Y155-Q159 HydrophobicContact CE1-CG 3.88Å; Y155-Q159 WeakPolarHBondContact O-CG 3.4Å; Y155-Q159 PolarHBondContact O-N 2.68Å; Q156-Q159 PolarHBondContact O-N 3.24Å; Q159-R161 PolarHBondContact O-N 3.04Å; Q159-R161 VanDerWaalsContact O-N 3.1Å; Q159-D162 PolarHBondContact O-N 3Å; Q159-D162 VanDerWaalsContact O-N 3.12Å
160S97.9Very high98.1Very high94 Ų9449.1 Ų49.166%0.65724%0.241SC*.Hα-helixtrans-65.6-15.2-179.769.10000113.7Q156 I157Q156-S160 WeakPolarHBondContact O-CB 3.23Å; Q156-S160 PolarHBondContact O-N 3.44Å; Q156-S160 PolarHBondContact O-OG 3.46Å; I157-S160 PolarHBondContact O-OG 2.93Å; I157-S160 VanDerWaalsContact O-OG 3.13Å
161R97.9Very high98.1Very high36 Ų3649.5 Ų49.514%0.13624%0.243CC..THydrogen-bonded Turntrans-111.213.5179.5-61.4178.8-168-173.78113.1R125 R130 I157 A158 Q159 L163 T295 E322R125-R161 PolarHBondContact NH2-O 2.87Å; R130-R161 PolarHBondContact NH2-O 2.8Å; I157-R161 VanDerWaalsContact O-CG 3.31Å; I157-R161 WeakPolarHBondContact O-CG 3.5Å; I157-R161 PolarHBondContact O-N 3.11Å; A158-R161 CarbonylContact O-C 3.29Å; A158-R161 PolarHBondContact O-N 3.19Å; Q159-R161 PolarHBondContact O-N 3.04Å; Q159-R161 VanDerWaalsContact O-N 3.1Å; R161-L163 VanDerWaalsContact C-N 3.26Å; R161-L163 HydrophobicContact CB-CD1 4.18Å; R161-L163 HydrophobicContact CB-CD2 4.49Å; R161-L163 HydrophobicContact CB-CG 3.92Å; R161-L163 PolarHBondContact O-N 2.89Å; R161-T295 PolarHBondContact NH1-O 3.31Å; R161-E322 IonicContact CZ-OE2 2.77Å; R161-E322 IonicContact NH2-OE1 2.74Å; R161-E322 PolarHBondContact NH2-OE1 3.18Å; R161-E322 IonicContact NH2-OE2 3.79Å; R161-E322 PolarHBondContact NH2-OE2 3.19Å
162D98.1Very high98.1Very high97 Ų9751 Ų5152%0.51925%0.251SS..THydrogen-bonded Turntrans55.941.4178.6-171.950.8000112.3R130 A158 Q159 H164R130-D162 PolarHBondContact NH2-O 2.85Å; R130-D162 IonicContact NH2-OD2 2.94Å; A158-D162 PolarHBondContact O-N 3.31Å; Q159-D162 PolarHBondContact O-N 3Å; Q159-D162 VanDerWaalsContact O-N 3.12Å; D162-H164 IonicContact OD1-NE2 3.95Å
163L98.6Very high98.2Very high7 Ų745.2 Ų45.24%0.03723%0.229CC..  trans-97.6118176.8-50.5-178.9000108.7M117 Y118 D121 I135 A158 R161 V165M117-L163 HydrophobicContact CE-CB 4.47Å; M117-L163 HydrophobicContact CE-CD1 3.74Å; M117-L163 HydrophobicContact CG-CD1 4.28Å; M117-L163 HydrophobicContact SD-CB 4.11Å; M117-L163 HydrophobicContact SD-CD1 4.01Å; Y118-L163 HydrophobicContact CD1-CD1 3.69Å; Y118-L163 HydrophobicContact CE1-CD1 3.9Å; D121-L163 HydrophobicContact CB-CD1 4.39Å; D121-L163 HydrophobicContact CB-CD2 3.95Å; I135-L163 HydrophobicContact CB-CD2 3.81Å; I135-L163 HydrophobicContact CD1-CD2 3.7Å; I135-L163 HydrophobicContact CG1-CD2 4.3Å; I135-L163 HydrophobicContact CG2-CD2 3.9Å; A158-L163 HydrophobicContact CB-CB 4.08Å; A158-L163 WeakPolarHBondContact O-CB 3.44Å; A158-L163 PolarHBondContact O-N 2.94Å; R161-L163 VanDerWaalsContact C-N 3.26Å; R161-L163 HydrophobicContact CB-CD1 4.18Å; R161-L163 HydrophobicContact CB-CD2 4.49Å; R161-L163 HydrophobicContact CB-CG 3.92Å; R161-L163 PolarHBondContact O-N 2.89Å; L163-V165 PolarHBondContact O-N 2.69Å
164H98.5Very high98.3Very high79 Ų7944.5 Ų44.537%0.36622%0.224SC..EExtended strand (participates in β ladder)trans-80.4108.3-173.6-63.6-111.1000110N134 I135 N136 Y137 D162N134-H164 PolarHBondContact OD1-CD2 2.89Å; N134-H164 PolarHBondContact OD1-NE2 3.09Å; I135-H164 WeakPolarHBondContact O-CB 3.22Å; I135-H164 PolarHBondContact O-N 2.85Å; N136-H164 CarbonylContact C-O 3.56Å; N136-H164 WeakPolarHBondContact CA-O 3.47Å; Y137-H164 PolarHBondContact N-O 3Å; D162-H164 IonicContact OD1-NE2 3.95Å
165V98.5Very high98.3Very high22 Ų2246.4 Ų46.413%0.13323%0.234CC..EExtended strand (participates in β ladder)trans-96.7112178.1-179.60000109.6Y137 M144 Y155 A158 L163 F167Y137-V165 HydrophobicContact CD1-CG1 4.1Å; Y137-V165 HydrophobicContact CD1-CG2 4.47Å; M144-V165 HydrophobicContact CE-CG2 3.56Å; M144-V165 HydrophobicContact SD-CG1 3.87Å; M144-V165 HydrophobicContact SD-CG2 4.05Å; Y155-V165 HydrophobicContact CD2-CB 4.43Å; Y155-V165 HydrophobicContact CD2-CG2 4.45Å; Y155-V165 HydrophobicContact CE2-CB 4.07Å; Y155-V165 HydrophobicContact CE2-CG1 4.36Å; Y155-V165 HydrophobicContact CE2-CG2 4.45Å; A158-V165 HydrophobicContact CB-CG2 3.85Å; L163-V165 PolarHBondContact O-N 2.69Å; V165-F167 HydrophobicContact CG1-CD1 4.1Å; V165-F167 HydrophobicContact CG1-CD2 4.49Å; V165-F167 HydrophobicContact CG1-CE1 3.58Å; V165-F167 HydrophobicContact CG1-CE2 4.02Å; V165-F167 HydrophobicContact CG1-CZ 3.55Å
166N98.4Very high98.3Very high39 Ų3944.2 Ų44.221%0.20923%0.231CC..EExtended strand (participates in β ladder)trans-104.7104.1177.7-58.7-53.1000109.1N136 Y137 N138 C139N136-N166 PolarHBondContact OD1-ND2 2.99Å; Y137-N166 PolarHBondContact O-N 3.28Å; N138-N166 WeakPolarHBondContact OD1-CB 3.33Å; N138-N166 PolarHBondContact OD1-ND2 2.93Å; C139-N166 PolarHBondContact N-O 3.12Å
167F97.8Very high98.3Very high54 Ų5444 Ų4424%0.23725%0.246CC..EExtended strand (participates in β ladder)trans-75.5159.5175.4-64.8-58000112.1C139 L141 I143 M144 Y155 V165 H169C139-F167 HydrophobicContact CB-CD1 4.24Å; C139-F167 CarbonylContact O-C 3.54Å; C139-F167 VanDerWaalsContact O-C 3.29Å; C139-F167 WeakPolarHBondContact O-CA 3.47Å; L141-F167 WeakPolarHBondContact O-CB 3.42Å; L141-F167 VanDerWaalsContact O-CD1 3.25Å; L141-F167 WeakPolarHBondContact O-CD1 3.06Å; I143-F167 VanDerWaalsContact C-CE1 3.41Å; M144-F167 HydrophobicContact CB-CE1 4.34Å; M144-F167 HydrophobicContact CB-CZ 4.3Å; Y155-F167 HydrophobicContact CD2-CE2 4.29Å; Y155-F167 HydrophobicContact CD2-CZ 4.05Å; Y155-F167 AromaticContact CE2-CE2 3.89Å; Y155-F167 HydrophobicContact CE2-CE2 3.89Å; Y155-F167 HydrophobicContact CE2-CZ 4.08Å; V165-F167 HydrophobicContact CG1-CD1 4.1Å; V165-F167 HydrophobicContact CG1-CD2 4.49Å; V165-F167 HydrophobicContact CG1-CE1 3.58Å; V165-F167 HydrophobicContact CG1-CE2 4.02Å; V165-F167 HydrophobicContact CG1-CZ 3.55Å; F167-H169 PolarHBondContact O-N 3.31Å; F167-H169 PolarHBondContact O-ND1 3.23Å
168F97.9Very high98.3Very high79 Ų7950.5 Ų50.535%0.34627%0.27SS..THydrogen-bonded Turntrans56.231.5-178.2-50.3-68.5000114.5C139 L141 G142 V185 G186 N187C139-F168 WeakPolarHBondContact O-CA 3.18Å; C139-F168 PolarHBondContact O-N 2.81Å; L141-F168 PolarHBondContact O-N 2.99Å; L141-F168 VanDerWaalsContact O-N 3.17Å; G142-F168 VanDerWaalsContact CA-CE1 3.43Å; F168-V185 VanDerWaalsContact O-CA 3.29Å; F168-V185 WeakPolarHBondContact O-CA 3.48Å; F168-G186 PolarHBondContact O-N 3.18Å; F168-G186 VanDerWaalsContact O-N 3.07Å; F168-N187 HydrophobicContact CB-CB 4.44Å; F168-N187 HydrophobicContact CD1-CB 3.4Å; F168-N187 VanDerWaalsContact CD1-CB 3.4Å; F168-N187 HydrophobicContact CD2-CB 4.1Å; F168-N187 HydrophobicContact CE1-CB 3.44Å; F168-N187 VanDerWaalsContact CE1-CB 3.44Å; F168-N187 HydrophobicContact CE2-CB 4.14Å; F168-N187 HydrophobicContact CG-CB 3.73Å; F168-N187 HydrophobicContact CZ-CB 3.82Å
169H98.6Very high98.3Very high16 Ų1655.4 Ų55.47%0.07429%0.288CS..EExtended strand (participates in β ladder)trans-110.7100.4174.6-7459.8000109.5N138 C139 A140 F167 F183 E184 V185 F196N138-H169 CarbonylContact C-O 3.56Å; N138-H169 HydrophobicContact CB-CB 3.79Å; C139-H169 CarbonylContact C-O 3.54Å; C139-H169 VanDerWaalsContact C-O 3.26Å; C139-H169 PolarHBondContact O-N 3.01Å; A140-H169 PolarHBondContact N-O 3.49Å; F167-H169 PolarHBondContact O-N 3.31Å; F167-H169 PolarHBondContact O-ND1 3.23Å; H169-F183 HydrophobicContact CB-CB 4.34Å; H169-F183 HydrophobicContact CB-CD1 3.97Å; H169-F183 HydrophobicContact CB-CG 4.38Å; H169-E184 WeakPolarHBondContact CA-O 3.38Å; H169-V185 VanDerWaalsContact CD2-CG2 3.41Å; H169-V185 WeakPolarHBondContact CD2-CG2 3.5Å; H169-V185 VanDerWaalsContact CE1-CG1 3.42Å; H169-V185 WeakPolarHBondContact CE1-CG1 3.28Å; H169-F196 AromaticContact CD2-CE2 3.77Å; H169-F196 AromaticContact CD2-CZ 3.89Å
170N98.1Very high98.3Very high28 Ų2850.7 Ų50.715%0.1527%0.267CS..EExtended strand (participates in β ladder)trans-97.6124177.5-176.955.2000110.6K104 A140 V172 F183 E184K104-N170 PolarHBondContact N-OD1 2.96Å; A140-N170 HydrophobicContact CB-CB 3.75Å; N170-V172 PolarHBondContact O-N 2.65Å; N170-F183 CarbonylContact O-C 3.59Å; N170-F183 WeakPolarHBondContact O-CA 3.5Å; N170-E184 PolarHBondContact N-O 2.85Å; N170-E184 PolarHBondContact O-N 3.03Å
171L98.8Very high98.3Very high9 Ų946.2 Ų46.25%0.04724%0.236CC..EExtended strand (participates in β ladder)trans-66.3127.9176.7-177.972.1000109.6V62 T101 V174 A181 F183 I203V62-L171 HydrophobicContact CG1-CD2 3.81Å; V62-L171 HydrophobicContact CG1-CG 3.78Å; T101-L171 HydrophobicContact CG2-CB 4.25Å; T101-L171 HydrophobicContact CG2-CD2 4.07Å; L171-V174 HydrophobicContact CD1-CG2 4.11Å; L171-V174 HydrophobicContact CD2-CG2 3.94Å; L171-V174 HydrophobicContact CG-CG2 4.38Å; L171-A181 HydrophobicContact CD1-CB 3.78Å; L171-F183 HydrophobicContact CB-CD1 4.06Å; L171-F183 HydrophobicContact CB-CE1 3.7Å; L171-F183 HydrophobicContact CB-CZ 4.25Å; L171-F183 HydrophobicContact CD1-CD1 4.44Å; L171-F183 HydrophobicContact CD1-CD2 4.38Å; L171-F183 HydrophobicContact CD1-CE1 3.97Å; L171-F183 HydrophobicContact CD1-CE2 3.9Å; L171-F183 HydrophobicContact CD1-CZ 3.67Å; L171-F183 HydrophobicContact CG-CE1 4.44Å; L171-I203 HydrophobicContact CD2-CD1 4.49Å; L171-I203 HydrophobicContact CD2-CG1 4.2Å; L171-I203 HydrophobicContact CD2-CG2 4.15Å
172V98.4Very high98.4Very high37 Ų3745 Ų4522%0.22423%0.232CC..EExtended strand (participates in β ladder)trans-123-26.8-179.3-660000113.8E63 N170 T182 E184E63-V172 PolarHBondContact N-O 2.92Å; N170-V172 PolarHBondContact O-N 2.65Å; V172-T182 HydrophobicContact CG2-CG2 4.24Å; V172-T182 WeakPolarHBondContact CG2-O 3.5Å; V172-T182 PolarHBondContact N-O 3.44Å; V172-E184 HydrophobicContact CG1-CB 3.74Å
173S98.8Very high98.4Very high21 Ų2140.3 Ų40.315%0.14721%0.207CC..EExtended strand (participates in β ladder)trans-149.2155.4171.778.10000113.2E63 T182E63-S173 CarbonylContact O-C 3.55Å; E63-S173 VanDerWaalsContact O-CA 3.23Å; E63-S173 WeakPolarHBondContact O-CA 3.4Å; S173-T182 PolarHBondContact N-O 2.94Å; S173-T182 PolarHBondContact O-N 2.87Å; S173-T182 VanDerWaalsContact OG-CB 3.29Å; S173-T182 WeakPolarHBondContact OG-CB 3.37Å; S173-T182 PolarHBondContact OG-OG1 3.45Å
174V98.9Very high98.4Very high6 Ų643 Ų434%0.03622%0.219CC..EExtended strand (participates in β ladder)trans-129.9122174-175.10000108.9V62 E63 A68 L171 P176 Y198 L201 I203V62-V174 HydrophobicContact CG1-CG2 4.28Å; E63-V174 PolarHBondContact O-N 2.9Å; A68-V174 HydrophobicContact CB-CB 4.03Å; A68-V174 HydrophobicContact CB-CG1 3.52Å; L171-V174 HydrophobicContact CD1-CG2 4.11Å; L171-V174 HydrophobicContact CD2-CG2 3.94Å; L171-V174 HydrophobicContact CG-CG2 4.38Å; V174-P176 VanDerWaalsContact O-CD 3.3Å; V174-P176 WeakPolarHBondContact O-CD 3.47Å; V174-Y198 HydrophobicContact CG1-CE1 4.08Å; V174-Y198 WeakPolarHBondContact CG1-OH 3.39Å; V174-L201 HydrophobicContact CB-CD2 4.38Å; V174-L201 HydrophobicContact CG1-CD2 3.68Å; V174-L201 HydrophobicContact CG2-CD2 3.69Å; V174-I203 HydrophobicContact CG2-CD1 4.05Å
175D98.6Very high98.4Very high40 Ų4040.6 Ų40.621%0.21421%0.21CC..EExtended strand (participates in β ladder)trans-102.4100.7170.2-173.9-36.1000108.5A177 R178 R179 V180D175-A177 VanDerWaalsContact C-N 3.33Å; D175-A177 PolarHBondContact OD1-N 2.93Å; D175-R178 PolarHBondContact OD1-N 3.25Å; D175-R178 IonicContact OD2-CZ 3.55Å; D175-R178 IonicContact OD2-NE 3.05Å; D175-R178 PolarHBondContact OD2-NE 3.07Å; D175-R178 IonicContact OD2-NH2 2.82Å; D175-R178 PolarHBondContact OD2-NH2 2.84Å; D175-R179 VanDerWaalsContact O-CA 3.3Å; D175-R179 WeakPolarHBondContact O-CA 3.43Å; D175-R179 PolarHBondContact O-N 3.4Å; D175-V180 PolarHBondContact N-O 2.82Å; D175-V180 PolarHBondContact O-N 3.34Å
176P97.7Very high98.3Very high40 Ų4040.9 Ų40.926%0.2622%0.218SC..THydrogen-bonded Turntrans-71.8-25.9-179.228-33.9000113.3A68 T71 V174 R179 Y198A68-P176 HydrophobicContact CB-CB 4.08Å; A68-P176 HydrophobicContact CB-CG 4.17Å; T71-P176 HydrophobicContact CG2-CB 3.81Å; T71-P176 HydrophobicContact CG2-CG 4.33Å; T71-P176 WeakPolarHBondContact OG1-CB 3.39Å; V174-P176 VanDerWaalsContact O-CD 3.3Å; V174-P176 WeakPolarHBondContact O-CD 3.47Å; P176-R179 PolarHBondContact O-N 2.94Å; P176-Y198 WeakPolarHBondContact CA-OH 3.22Å
177A97.5Very high97.8Very high94 Ų9445.2 Ų45.278%0.77724%0.241SC*.THydrogen-bonded Turntrans-69.9-42.5179.600000111.3D175D175-A177 VanDerWaalsContact C-N 3.33Å; D175-A177 PolarHBondContact OD1-N 2.93Å
178R98.1Very high96.9Very high148 Ų14844.7 Ų44.756%0.55825%0.251SS*.THydrogen-bonded Turntrans-87.3-8.1174.3-66.7-174.1-67.4139.44113.6D175 V180D175-R178 PolarHBondContact OD1-N 3.25Å; D175-R178 IonicContact OD2-CZ 3.55Å; D175-R178 IonicContact OD2-NE 3.05Å; D175-R178 PolarHBondContact OD2-NE 3.07Å; D175-R178 IonicContact OD2-NH2 2.82Å; D175-R178 PolarHBondContact OD2-NH2 2.84Å; R178-V180 VanDerWaalsContact C-N 3.35Å; R178-V180 HydrophobicContact CB-CG2 4.15Å; R178-V180 PolarHBondContact O-N 3.48Å
179R98.4Very high95.9Very high104 Ų10450.7 Ų50.739%0.39228%0.28SS..THydrogen-bonded Turntrans52.250.1-172.1-59176.971.2166.810.2112.4D175 P176 P197 Y198 D199D175-R179 VanDerWaalsContact O-CA 3.3Å; D175-R179 WeakPolarHBondContact O-CA 3.43Å; D175-R179 PolarHBondContact O-N 3.4Å; P176-R179 PolarHBondContact O-N 2.94Å; R179-P197 WeakPolarHBondContact O-CA 3.29Å; R179-Y198 HydrophobicContact CB-CD2 4.36Å; R179-Y198 HydrophobicContact CB-CE1 4.49Å; R179-Y198 HydrophobicContact CB-CE2 4.05Å; R179-Y198 HydrophobicContact CG-CE2 4.42Å; R179-Y198 PolarHBondContact NE-O 2.83Å; R179-Y198 VanDerWaalsContact O-CD1 3.29Å; R179-Y198 WeakPolarHBondContact O-CD1 3.18Å; R179-Y198 PolarHBondContact O-N 3.32Å; R179-D199 VanDerWaalsContact NH2-CA 3.28Å; R179-D199 PolarHBondContact NH2-O 3.22Å
180V98.8Very high95.4Very high14 Ų1456 Ų569%0.08531%0.314CS..EExtended strand (participates in β ladder)trans-122.5131-179.8173.40000110.4D175 R178 Q195 Y198D175-V180 PolarHBondContact N-O 2.82Å; D175-V180 PolarHBondContact O-N 3.34Å; R178-V180 VanDerWaalsContact C-N 3.35Å; R178-V180 HydrophobicContact CB-CG2 4.15Å; R178-V180 PolarHBondContact O-N 3.48Å; V180-Q195 HydrophobicContact CG1-CB 3.65Å; V180-Q195 HydrophobicContact CG1-CG 3.72Å; V180-Y198 VanDerWaalsContact C-CE1 3.5Å
181A98.9Very high95.3Very high0 Ų056.8 Ų56.80%032%0.32CS..EExtended strand (participates in β ladder)trans-103.1126.2170.600000109.4L171 F183 Q195 F196 Y198 L201L171-A181 HydrophobicContact CD1-CB 3.78Å; A181-F183 HydrophobicContact CB-CD2 4.46Å; A181-F183 HydrophobicContact CB-CE2 3.65Å; A181-F183 HydrophobicContact CB-CZ 4.3Å; A181-Q195 WeakPolarHBondContact O-CA 3.44Å; A181-F196 PolarHBondContact N-O 2.8Å; A181-F196 PolarHBondContact O-N 2.79Å; A181-Y198 HydrophobicContact CB-CD1 3.99Å; A181-Y198 HydrophobicContact CB-CE1 4.25Å; A181-L201 HydrophobicContact CB-CD1 4.1Å; A181-L201 HydrophobicContact CB-CD2 4.1Å
182T98.9Very high95.2Very high10 Ų1060.7 Ų60.76%0.06134%0.344CS..EExtended strand (participates in β ladder)trans-100.6128.6177.5-520000110V172 S173 K193 Q195V172-T182 HydrophobicContact CG2-CG2 4.24Å; V172-T182 WeakPolarHBondContact CG2-O 3.5Å; V172-T182 PolarHBondContact N-O 3.44Å; S173-T182 PolarHBondContact N-O 2.94Å; S173-T182 PolarHBondContact O-N 2.87Å; S173-T182 VanDerWaalsContact OG-CB 3.29Å; S173-T182 WeakPolarHBondContact OG-CB 3.37Å; S173-T182 PolarHBondContact OG-OG1 3.45Å; T182-K193 HydrophobicContact CG2-CB 4.08Å; T182-K193 HydrophobicContact CG2-CD 4.27Å; T182-K193 HydrophobicContact CG2-CG 4.35Å; T182-Q195 HydrophobicContact CG2-CG 4.35Å
183F98.8Very high95.2Very high0 Ų067.1 Ų67.10%037%0.369CS..EExtended strand (participates in β ladder)trans-111.9138.6177.4-66-99.4000110.3V99 T101 N138 H169 N170 L171 A181 V185 K193 K194 F196V99-F183 HydrophobicContact CG1-CE2 4.07Å; V99-F183 HydrophobicContact CG1-CZ 3.73Å; T101-F183 HydrophobicContact CG2-CE1 3.81Å; T101-F183 HydrophobicContact CG2-CZ 3.67Å; N138-F183 HydrophobicContact CB-CD1 3.76Å; N138-F183 HydrophobicContact CB-CE1 3.27Å; N138-F183 HydrophobicContact CB-CE2 4.45Å; N138-F183 HydrophobicContact CB-CZ 3.68Å; N138-F183 WeakPolarHBondContact ND2-CE2 3.43Å; N138-F183 WeakPolarHBondContact ND2-CZ 3.34Å; H169-F183 HydrophobicContact CB-CB 4.34Å; H169-F183 HydrophobicContact CB-CD1 3.97Å; H169-F183 HydrophobicContact CB-CG 4.38Å; N170-F183 CarbonylContact O-C 3.59Å; N170-F183 WeakPolarHBondContact O-CA 3.5Å; L171-F183 HydrophobicContact CB-CD1 4.06Å; L171-F183 HydrophobicContact CB-CE1 3.7Å; L171-F183 HydrophobicContact CB-CZ 4.25Å; L171-F183 HydrophobicContact CD1-CD1 4.44Å; L171-F183 HydrophobicContact CD1-CD2 4.38Å; L171-F183 HydrophobicContact CD1-CE1 3.97Å; L171-F183 HydrophobicContact CD1-CE2 3.9Å; L171-F183 HydrophobicContact CD1-CZ 3.67Å; L171-F183 HydrophobicContact CG-CE1 4.44Å; A181-F183 HydrophobicContact CB-CD2 4.46Å; A181-F183 HydrophobicContact CB-CE2 3.65Å; A181-F183 HydrophobicContact CB-CZ 4.3Å; F183-V185 HydrophobicContact CB-CG2 4.2Å; F183-K193 CarbonylContact O-C 3.57Å; F183-K193 WeakPolarHBondContact O-CA 3.37Å; F183-K194 PolarHBondContact N-O 3.14Å; F183-K194 PolarHBondContact O-N 3.29Å; F183-F196 HydrophobicContact CD2-CB 4.47Å; F183-F196 AromaticContact CD2-CD2 3.58Å; F183-F196 HydrophobicContact CD2-CD2 3.58Å; F183-F196 HydrophobicContact CD2-CE2 4.15Å; F183-F196 HydrophobicContact CD2-CG 4.29Å; F183-F196 HydrophobicContact CE2-CB 4.16Å; F183-F196 AromaticContact CE2-CD2 3.98Å; F183-F196 HydrophobicContact CE2-CD2 3.98Å; F183-F196 HydrophobicContact CE2-CG 4.24Å; F183-F196 HydrophobicContact CG-CD2 4.46Å
184E98Very high95.2Very high62 Ų6271 Ų7129%0.2938%0.383SS..EExtended strand (participates in β ladder)trans-77.5126.3157.8-177.2177.8-115.100108.6H169 N170 V172 T191 T192H169-E184 WeakPolarHBondContact CA-O 3.38Å; N170-E184 PolarHBondContact N-O 2.85Å; N170-E184 PolarHBondContact O-N 3.03Å; V172-E184 HydrophobicContact CG1-CB 3.74Å; E184-T191 VanDerWaalsContact CD-OG1 3.31Å; E184-T191 HydrophobicContact CG-CG2 3.63Å; E184-T191 VanDerWaalsContact CG-OG1 3.3Å; E184-T191 WeakPolarHBondContact CG-OG1 3.47Å; E184-T191 PolarHBondContact OE1-OG1 2.81Å; E184-T192 CarbonylContact C-O 3.56Å; E184-T192 WeakPolarHBondContact CA-O 3.31Å
185V98.3Very high95.1Very high29 Ų2975.9 Ų75.918%0.17641%0.406CS..EExtended strand (participates in β ladder)trans-120.5118.5-174.7-174.90000110.1F168 H169 F183 T191 T192 K194F168-V185 VanDerWaalsContact O-CA 3.29Å; F168-V185 WeakPolarHBondContact O-CA 3.48Å; H169-V185 VanDerWaalsContact CD2-CG2 3.41Å; H169-V185 WeakPolarHBondContact CD2-CG2 3.5Å; H169-V185 VanDerWaalsContact CE1-CG1 3.42Å; H169-V185 WeakPolarHBondContact CE1-CG1 3.28Å; F183-V185 HydrophobicContact CB-CG2 4.2Å; V185-T191 WeakPolarHBondContact O-CA 3.49Å; V185-T192 PolarHBondContact N-O 2.81Å; V185-T192 PolarHBondContact O-N 2.7Å; V185-T192 PolarHBondContact O-OG1 2.6Å; V185-K194 HydrophobicContact CG2-CB 3.68Å
186G96Very high95.1Very high29 Ų2975 Ų7530%0.29940%0.4SS..  trans151.3158.1-18000000112.8F168F168-G186 PolarHBondContact O-N 3.18Å; F168-G186 VanDerWaalsContact O-N 3.07Å
187N88.8Confident95.2Very high130 Ų13076.6 Ų76.670%0.69541%0.411SS*.SBendtrans-111.310.6-176.467.5-9.7000113.8F168F168-N187 HydrophobicContact CB-CB 4.44Å; F168-N187 HydrophobicContact CD1-CB 3.4Å; F168-N187 VanDerWaalsContact CD1-CB 3.4Å; F168-N187 HydrophobicContact CD2-CB 4.1Å; F168-N187 HydrophobicContact CE1-CB 3.44Å; F168-N187 VanDerWaalsContact CE1-CB 3.44Å; F168-N187 HydrophobicContact CE2-CB 4.14Å; F168-N187 HydrophobicContact CG-CB 3.73Å; F168-N187 HydrophobicContact CZ-CB 3.82Å
188G78Confident95.3Very high43 Ų4372.4 Ų72.444%0.44338%0.375SS..SBendtrans-148.3-155.1-173.400000112.9T190G188-T190 VanDerWaalsContact C-N 3.33Å
189E78.5Confident95.3Very high205 Ų20567.8 Ų67.896%0.95836%0.361SS*.SBendtrans-68.2-32.3-178.1-64.7-178.6167.300112.7
190T87.6Confident95.3Very high126 Ų12663 Ų6377%0.77334%0.343SS*.  trans-96119.2176.7-48.70000110.3G188G188-T190 VanDerWaalsContact C-N 3.33Å
191T95Very high95.3Very high46 Ų4662.4 Ų62.428%0.28234%0.339SS..  trans-123156.2175.762.60000110.5E184 V185E184-T191 VanDerWaalsContact CD-OG1 3.31Å; E184-T191 HydrophobicContact CG-CG2 3.63Å; E184-T191 VanDerWaalsContact CG-OG1 3.3Å; E184-T191 WeakPolarHBondContact CG-OG1 3.47Å; E184-T191 PolarHBondContact OE1-OG1 2.81Å; V185-T191 WeakPolarHBondContact O-CA 3.49Å
192T97.3Very high95.3Very high91 Ų9162.4 Ų62.456%0.55834%0.339SS*.EExtended strand (participates in β ladder)trans-116.1157.5172.658.10000109.9E184 V185E184-T192 CarbonylContact C-O 3.56Å; E184-T192 WeakPolarHBondContact CA-O 3.31Å; V185-T192 PolarHBondContact N-O 2.81Å; V185-T192 PolarHBondContact O-N 2.7Å; V185-T192 PolarHBondContact O-OG1 2.6Å
193K97.9Very high95.3Very high171 Ų17162 Ų6274%0.74334%0.337SS*.EExtended strand (participates in β ladder)trans-95.4128.7171.4-70.2-172.5178.6-176.50109.7T182 F183T182-K193 HydrophobicContact CG2-CB 4.08Å; T182-K193 HydrophobicContact CG2-CD 4.27Å; T182-K193 HydrophobicContact CG2-CG 4.35Å; F183-K193 CarbonylContact O-C 3.57Å; F183-K193 WeakPolarHBondContact O-CA 3.37Å
194K98.4Very high95.3Very high103 Ų10362.1 Ų62.145%0.44834%0.338SS..EExtended strand (participates in β ladder)trans-124.9132.1174.4-170.1172.7176.4-179.90110.4F183 V185 F196F183-K194 PolarHBondContact N-O 3.14Å; F183-K194 PolarHBondContact O-N 3.29Å; V185-K194 HydrophobicContact CG2-CB 3.68Å; K194-F196 HydrophobicContact CB-CE2 4.24Å; K194-F196 HydrophobicContact CD-CE2 3.71Å; K194-F196 HydrophobicContact CD-CZ 4.05Å; K194-F196 HydrophobicContact CG-CD2 4.28Å; K194-F196 HydrophobicContact CG-CE2 3.72Å; K194-F196 HydrophobicContact CG-CZ 4.49Å
195Q98.6Very high95.3Very high109 Ų10959.1 Ų59.151%0.50932%0.324SS..EExtended strand (participates in β ladder)trans-96.7139.8179.2-74.2179.1-4.500110.9V180 A181 T182V180-Q195 HydrophobicContact CG1-CB 3.65Å; V180-Q195 HydrophobicContact CG1-CG 3.72Å; A181-Q195 WeakPolarHBondContact O-CA 3.44Å; T182-Q195 HydrophobicContact CG2-CG 4.35Å
196F98.7Very high95.3Very high21 Ų2158.2 Ų58.29%0.09232%0.318CS..EExtended strand (participates in β ladder)trans-125.6107.3174.4-75.5-106.2000108.5V99 H169 A181 F183 K194V99-F196 HydrophobicContact CG2-CB 4.23Å; H169-F196 AromaticContact CD2-CE2 3.77Å; H169-F196 AromaticContact CD2-CZ 3.89Å; A181-F196 PolarHBondContact N-O 2.8Å; A181-F196 PolarHBondContact O-N 2.79Å; F183-F196 HydrophobicContact CD2-CB 4.47Å; F183-F196 AromaticContact CD2-CD2 3.58Å; F183-F196 HydrophobicContact CD2-CD2 3.58Å; F183-F196 HydrophobicContact CD2-CE2 4.15Å; F183-F196 HydrophobicContact CD2-CG 4.29Å; F183-F196 HydrophobicContact CE2-CB 4.16Å; F183-F196 AromaticContact CE2-CD2 3.98Å; F183-F196 HydrophobicContact CE2-CD2 3.98Å; F183-F196 HydrophobicContact CE2-CG 4.24Å; F183-F196 HydrophobicContact CG-CD2 4.46Å; K194-F196 HydrophobicContact CB-CE2 4.24Å; K194-F196 HydrophobicContact CD-CE2 3.71Å; K194-F196 HydrophobicContact CD-CZ 4.05Å; K194-F196 HydrophobicContact CG-CD2 4.28Å; K194-F196 HydrophobicContact CG-CE2 3.72Å; K194-F196 HydrophobicContact CG-CZ 4.49Å
197P98.6Very high95.4Very high74 Ų7457 Ų5748%0.48131%0.305SS..EExtended strand (participates in β ladder)trans-60.2141.9166.6-19.632.2000110.1N97 R179N97-P197 WeakPolarHBondContact CB-O 3.12Å; N97-P197 PolarHBondContact ND2-O 3.01Å; R179-P197 WeakPolarHBondContact O-CA 3.29Å
198Y98.8Very high95.8Very high6 Ų651.8 Ų51.82%0.02428%0.279CS..  trans-135143.2-178.265.3-99.5000113.3V74 V174 P176 R179 V180 A181 L201V74-Y198 HydrophobicContact CG2-CE2 3.56Å; V74-Y198 WeakPolarHBondContact CG2-OH 3.38Å; V174-Y198 HydrophobicContact CG1-CE1 4.08Å; V174-Y198 WeakPolarHBondContact CG1-OH 3.39Å; P176-Y198 WeakPolarHBondContact CA-OH 3.22Å; R179-Y198 HydrophobicContact CB-CD2 4.36Å; R179-Y198 HydrophobicContact CB-CE1 4.49Å; R179-Y198 HydrophobicContact CB-CE2 4.05Å; R179-Y198 HydrophobicContact CG-CE2 4.42Å; R179-Y198 PolarHBondContact NE-O 2.83Å; R179-Y198 VanDerWaalsContact O-CD1 3.29Å; R179-Y198 WeakPolarHBondContact O-CD1 3.18Å; R179-Y198 PolarHBondContact O-N 3.32Å; V180-Y198 VanDerWaalsContact C-CE1 3.5Å; A181-Y198 HydrophobicContact CB-CD1 3.99Å; A181-Y198 HydrophobicContact CB-CE1 4.25Å; Y198-L201 HydrophobicContact CD1-CB 4.03Å; Y198-L201 HydrophobicContact CD1-CD2 4.21Å; Y198-L201 HydrophobicContact CD2-CB 3.68Å; Y198-L201 HydrophobicContact CE1-CB 4.26Å; Y198-L201 HydrophobicContact CE1-CD2 3.9Å; Y198-L201 HydrophobicContact CE2-CB 3.95Å; Y198-L201 HydrophobicContact CG-CB 3.75Å
199D98.6Very high96.7Very high50 Ų5049.8 Ų49.827%0.26726%0.258SS..SBendtrans-91.5-39.9162.7-67.2-90.8000109.9G73 V93 G96 N97 R179G73-D199 WeakPolarHBondContact CA-O 3.45Å; V93-D199 HydrophobicContact CG2-CB 4.14Å; G96-D199 WeakPolarHBondContact CA-OD2 3.46Å; N97-D199 PolarHBondContact N-OD2 3.24Å; N97-D199 WeakPolarHBondContact O-CA 3.19Å; N97-D199 PolarHBondContact O-N 3.19Å; R179-D199 VanDerWaalsContact NH2-CA 3.28Å; R179-D199 PolarHBondContact NH2-O 3.22Å
200I98.7Very high97.6Very high5 Ų540.9 Ų40.93%0.02622%0.218CC..EExtended strand (participates in β ladder)trans-128.6131.3168.6-58.9-178000109.6G73 E89 V90 V93 N97 L98 V99G73-I200 CarbonylContact O-C 3.53Å; G73-I200 VanDerWaalsContact O-CA 3.23Å; G73-I200 WeakPolarHBondContact O-CA 3.43Å; E89-I200 HydrophobicContact CB-CD1 4.03Å; E89-I200 HydrophobicContact CB-CG1 4.41Å; V90-I200 HydrophobicContact CB-CD1 4.26Å; V90-I200 HydrophobicContact CG2-CD1 3.66Å; V93-I200 HydrophobicContact CB-CD1 3.99Å; V93-I200 HydrophobicContact CB-CG1 4.5Å; V93-I200 HydrophobicContact CG1-CD1 3.87Å; N97-I200 PolarHBondContact O-N 3.42Å; N97-I200 VanDerWaalsContact O-N 3.1Å; L98-I200 CarbonylContact C-O 3.5Å; L98-I200 WeakPolarHBondContact CA-O 3.07Å; L98-I200 HydrophobicContact CB-CB 4.45Å; L98-I200 HydrophobicContact CD2-CB 4.2Å; L98-I200 HydrophobicContact CD2-CD1 3.9Å; L98-I200 HydrophobicContact CD2-CG1 4.39Å; L98-I200 HydrophobicContact CG-CB 3.96Å; L98-I200 HydrophobicContact CG-CD1 4.35Å; L98-I200 HydrophobicContact CG-CG1 4.34Å; V99-I200 PolarHBondContact N-O 3.35Å
201L98.9Very high98Very high0 Ų040 Ų400%021%0.205CC..EExtended strand (participates in β ladder)trans-117.4116.4170176.965.7000109.4G73 V74 C75 V99 T101 V174 A181 Y198 I203G73-L201 PolarHBondContact O-N 3.24Å; V74-L201 CarbonylContact C-O 3.57Å; V74-L201 WeakPolarHBondContact CA-O 3.29Å; V74-L201 HydrophobicContact CG1-CB 4.46Å; V74-L201 HydrophobicContact CG1-CD2 4.25Å; V74-L201 HydrophobicContact CG2-CB 4.41Å; C75-L201 PolarHBondContact N-O 3.2Å; V99-L201 HydrophobicContact CB-CD1 3.85Å; V99-L201 HydrophobicContact CG1-CD1 3.83Å; V99-L201 CarbonylContact O-C 3.39Å; V99-L201 WeakPolarHBondContact O-CA 3.26Å; T101-L201 HydrophobicContact CG2-CD1 3.88Å; V174-L201 HydrophobicContact CB-CD2 4.38Å; V174-L201 HydrophobicContact CG1-CD2 3.68Å; V174-L201 HydrophobicContact CG2-CD2 3.69Å; A181-L201 HydrophobicContact CB-CD1 4.1Å; A181-L201 HydrophobicContact CB-CD2 4.1Å; Y198-L201 HydrophobicContact CD1-CB 4.03Å; Y198-L201 HydrophobicContact CD1-CD2 4.21Å; Y198-L201 HydrophobicContact CD2-CB 3.68Å; Y198-L201 HydrophobicContact CE1-CB 4.26Å; Y198-L201 HydrophobicContact CE1-CD2 3.9Å; Y198-L201 HydrophobicContact CE2-CB 3.95Å; Y198-L201 HydrophobicContact CG-CB 3.75Å; L201-I203 HydrophobicContact CD2-CD1 4.03Å; L201-I203 HydrophobicContact CD2-CG1 3.87Å; L201-I203 HydrophobicContact CG-CG1 3.84Å
202H98.9Very high98.1Very high0 Ų039 Ų390%020%0.198CC..EExtended strand (participates in β ladder)trans-97.2109.4168.4176.8-78.8000110.3C75 I77 V99 F100 T101C75-H202 CarbonylContact O-C 3.31Å; C75-H202 WeakPolarHBondContact O-CA 3.45Å; I77-H202 WeakPolarHBondContact CG1-NE2 3.42Å; I77-H202 PolarHBondContact N-NE2 3Å; V99-H202 PolarHBondContact O-N 3.23Å; F100-H202 HydrophobicContact CD1-CB 3.46Å; F100-H202 VanDerWaalsContact CD1-CB 3.46Å; F100-H202 AromaticContact CD1-CG 3.85Å; F100-H202 HydrophobicContact CE1-CB 3.75Å; F100-H202 HydrophobicContact CG-CB 4.24Å; T101-H202 PolarHBondContact N-O 2.9Å; T101-H202 VanDerWaalsContact N-O 3.07Å; T101-H202 PolarHBondContact OG1-O 2.83Å
203I98.8Very high98.1Very high1 Ų134.6 Ų34.61%0.00517%0.172CC..  trans-87.1115.9179-55.7179000109.9L59 A65 L69 V74 C75 S76 T101 L171 V174 L201 P205L59-I203 HydrophobicContact CD2-CG2 4.41Å; A65-I203 HydrophobicContact CB-CD1 4.12Å; L69-I203 HydrophobicContact CG-CD1 4.47Å; V74-I203 HydrophobicContact CG1-CD1 3.67Å; V74-I203 HydrophobicContact CG1-CG1 4.15Å; C75-I203 PolarHBondContact O-N 3.49Å; S76-I203 WeakPolarHBondContact CB-O 3.43Å; S76-I203 PolarHBondContact OG-O 3.11Å; T101-I203 WeakPolarHBondContact OG1-CA 3.42Å; L171-I203 HydrophobicContact CD2-CD1 4.49Å; L171-I203 HydrophobicContact CD2-CG1 4.2Å; L171-I203 HydrophobicContact CD2-CG2 4.15Å; V174-I203 HydrophobicContact CG2-CD1 4.05Å; L201-I203 HydrophobicContact CD2-CD1 4.03Å; L201-I203 HydrophobicContact CD2-CG1 3.87Å; L201-I203 HydrophobicContact CG-CG1 3.84Å; I203-P205 WeakPolarHBondContact O-CD 3.38Å
204A98.6Very high97.9Very high3 Ų329.8 Ų29.83%0.02515%0.149CC..  trans-87.4105.715600000107.8Y78 T101 I107 P113Y78-A204 HydrophobicContact CD2-CB 4.39Å; Y78-A204 HydrophobicContact CE2-CB 3.87Å; T101-A204 WeakPolarHBondContact O-CB 3.4Å; T101-A204 PolarHBondContact OG1-N 3.12Å; I107-A204 HydrophobicContact CD1-CB 3.91Å; P113-A204 HydrophobicContact CB-CB 4.04Å; P113-A204 HydrophobicContact CG-CB 3.61Å
205P98.3Very high97.8Very high0 Ų028.5 Ų28.50%015%0.153CC..  trans-69.4153-173.330.2-35000110.1P57 L59 Y78 F79 I203 F207P57-P205 HydrophobicContact CB-CB 4.19Å; P57-P205 HydrophobicContact CB-CG 3.79Å; L59-P205 HydrophobicContact CD2-CB 3.84Å; L59-P205 HydrophobicContact CG-CB 4.33Å; Y78-P205 HydrophobicContact CG-CG 4.44Å; F79-P205 HydrophobicContact CE2-CG 3.91Å; F79-P205 HydrophobicContact CZ-CG 4.09Å; I203-P205 WeakPolarHBondContact O-CD 3.38Å; P205-F207 HydrophobicContact CG-CD2 4.41Å; P205-F207 HydrophobicContact CG-CE2 3.65Å; P205-F207 HydrophobicContact CG-CZ 3.89Å; P205-F207 WeakPolarHBondContact O-CD2 3.22Å; P205-F207 VanDerWaalsContact O-CE2 3.29Å; P205-F207 WeakPolarHBondContact O-CE2 3.42Å
206P98Very high97.6Very high9 Ų924 Ų246%0.05813%0.133CC..  trans-53.8155.4160.5-23.235.1000110.7P57 R58 M61 V62 P103 T105P57-P206 CarbonylContact C-O 3.48Å; P57-P206 WeakPolarHBondContact CA-O 3.29Å; R58-P206 HydrophobicContact CB-CB 4.29Å; R58-P206 PolarHBondContact N-O 2.95Å; M61-P206 HydrophobicContact CB-CB 4.24Å; M61-P206 HydrophobicContact CB-CG 4.03Å; M61-P206 HydrophobicContact CE-CB 4.46Å; M61-P206 HydrophobicContact SD-CB 3.88Å; V62-P206 HydrophobicContact CG2-CG 3.87Å; P103-P206 HydrophobicContact CB-CB 4.27Å; P103-P206 HydrophobicContact CB-CG 4.04Å; T105-P206 HydrophobicContact CG2-CB 3.86Å; T105-P206 VanDerWaalsContact OG1-CA 3.25Å; T105-P206 WeakPolarHBondContact OG1-CA 3.02Å
207F98Very high97.5Very high5 Ų528.8 Ų28.82%0.02217%0.165CC..EExtended strand (participates in β ladder)trans-134.3154175.5-75.7-97.5000111.7M55 Q56 P57 Y78 T105 E106 I107 K108 P205M55-F207 HydrophobicContact CB-CD1 4.33Å; M55-F207 HydrophobicContact CE-CB 3.31Å; M55-F207 HydrophobicContact CE-CD1 4.16Å; M55-F207 HydrophobicContact CE-CG 3.86Å; M55-F207 HydrophobicContact CG-CB 4.5Å; M55-F207 HydrophobicContact CG-CD1 3.61Å; M55-F207 HydrophobicContact CG-CE1 4.19Å; M55-F207 HydrophobicContact CG-CG 4.31Å; M55-F207 HydrophobicContact SD-CB 4.39Å; M55-F207 HydrophobicContact SD-CD1 4.17Å; M55-F207 HydrophobicContact SD-CG 4.34Å; Q56-F207 VanDerWaalsContact O-CA 3.26Å; Q56-F207 WeakPolarHBondContact O-CA 3.29Å; Q56-F207 VanDerWaalsContact O-CD1 3.31Å; Q56-F207 WeakPolarHBondContact O-CD1 3.46Å; P57-F207 HydrophobicContact CB-CD1 4.16Å; P57-F207 HydrophobicContact CB-CE1 3.68Å; P57-F207 HydrophobicContact CB-CZ 3.92Å; P57-F207 HydrophobicContact CG-CE1 4.26Å; Y78-F207 AromaticContact CD1-CE2 3.71Å; Y78-F207 HydrophobicContact CD1-CE2 3.71Å; Y78-F207 AromaticContact CD1-CZ 3.46Å; Y78-F207 HydrophobicContact CD1-CZ 3.46Å; Y78-F207 VanDerWaalsContact CD1-CZ 3.46Å; Y78-F207 AromaticContact CE1-CE2 3.94Å; Y78-F207 HydrophobicContact CE1-CE2 3.94Å; Y78-F207 HydrophobicContact CE1-CZ 4.06Å; Y78-F207 HydrophobicContact CG-CE2 4.26Å; Y78-F207 HydrophobicContact CG-CZ 4.09Å; T105-F207 PolarHBondContact OG1-N 3.12Å; E106-F207 WeakPolarHBondContact O-CB 3.3Å; I107-F207 HydrophobicContact CB-CD2 4.19Å; I107-F207 HydrophobicContact CD1-CD2 4.26Å; I107-F207 HydrophobicContact CD1-CE2 4.08Å; I107-F207 HydrophobicContact CG1-CD2 3.7Å; I107-F207 HydrophobicContact CG1-CE2 3.72Å; K108-F207 HydrophobicContact CD-CE1 4.15Å; K108-F207 HydrophobicContact CD-CZ 4.37Å; K108-F207 HydrophobicContact CG-CE1 4.26Å; K108-F207 HydrophobicContact CG-CZ 4.15Å; P205-F207 HydrophobicContact CG-CD2 4.41Å; P205-F207 HydrophobicContact CG-CE2 3.65Å; P205-F207 HydrophobicContact CG-CZ 3.89Å; P205-F207 WeakPolarHBondContact O-CD2 3.22Å; P205-F207 VanDerWaalsContact O-CE2 3.29Å; P205-F207 WeakPolarHBondContact O-CE2 3.42Å
208S97.3Very high97.3Very high20 Ų2026.8 Ų26.814%0.1415%0.154CC..EExtended strand (participates in β ladder)trans-138.3171.716867.50000110.9M55 Q56 R58M55-S208 WeakPolarHBondContact CB-O 3.37Å; Q56-S208 PolarHBondContact N-O 2.97Å; Q56-S208 PolarHBondContact O-N 2.67Å; R58-S208 WeakPolarHBondContact CG-OG 3.16Å; R58-S208 PolarHBondContact NH1-OG 3.07Å
209A97.2Very high97.2Very high1 Ų126.5 Ų26.51%0.00815%0.153CC..SBendtrans-55.4149.6159.600000110.2L213 R214 K224 Y225A209-L213 HydrophobicContact CB-CD2 4.18Å; A209-R214 HydrophobicContact CB-CB 4.47Å; A209-K224 VanDerWaalsContact CB-O 3.25Å; A209-K224 WeakPolarHBondContact CB-O 3.1Å; A209-Y225 HydrophobicContact CB-CD1 3.72Å; A209-Y225 HydrophobicContact CB-CE1 3.92Å; A209-Y225 HydrophobicContact CB-CG 4.23Å
210P97.2Very high97.2Very high17 Ų1725.4 Ų25.411%0.1115%0.147CC..  trans-57.2146.7176-26.637.5000112.2I53 G54 V212 L213 R214I53-P210 HydrophobicContact CB-CG 4.42Å; I53-P210 HydrophobicContact CD1-CB 3.9Å; I53-P210 HydrophobicContact CD1-CG 3.74Å; I53-P210 HydrophobicContact CG1-CG 3.88Å; G54-P210 WeakPolarHBondContact O-CD 3.5Å; P210-V212 VanDerWaalsContact C-N 3.33Å; P210-V212 HydrophobicContact CB-CG1 4.42Å; P210-V212 PolarHBondContact O-N 3.06Å; P210-L213 PolarHBondContact O-N 2.92Å; P210-R214 PolarHBondContact O-N 3.43Å
211E96.2Very high97Very high107 Ų10725.9 Ų25.950%0.515%0.153SC..Hα-helixtrans-46.7-51.5-176.5179.9146.9-135.700114.3L213 R214 S215E211-L213 PolarHBondContact O-N 2.95Å; E211-L213 VanDerWaalsContact O-N 3.14Å; E211-R214 VanDerWaalsContact O-CG 3.23Å; E211-R214 WeakPolarHBondContact O-CG 3.35Å; E211-R214 PolarHBondContact O-N 2.85Å; E211-R214 VanDerWaalsContact O-N 3.17Å; E211-R214 IonicContact OE1-CZ 2.78Å; E211-R214 IonicContact OE1-NH1 3.94Å; E211-R214 IonicContact OE1-NH2 3.59Å; E211-R214 PolarHBondContact OE1-NH2 2.95Å; E211-R214 IonicContact OE2-NH2 3.5Å; E211-R214 PolarHBondContact OE2-NH2 3.41Å; E211-S215 WeakPolarHBondContact O-CB 3.29Å; E211-S215 PolarHBondContact O-N 3.26Å; E211-S215 PolarHBondContact O-OG 2.75Å; E211-S215 VanDerWaalsContact O-OG 3.11Å
212V96.4Very high96.6Very high25 Ų2535.2 Ų35.215%0.15220%0.197CC..Hα-helixtrans-56.9-30.1-179.261.80000113.8V34 V35 F37 I53 P210 S215V34-V212 HydrophobicContact CG1-CG2 3.99Å; V35-V212 WeakPolarHBondContact O-CG2 3.34Å; F37-V212 HydrophobicContact CD2-CG2 3.94Å; F37-V212 WeakPolarHBondContact CD2-O 3.27Å; F37-V212 HydrophobicContact CE2-CG1 4.07Å; F37-V212 HydrophobicContact CE2-CG2 3.96Å; I53-V212 HydrophobicContact CD1-CG1 4.25Å; P210-V212 VanDerWaalsContact C-N 3.33Å; P210-V212 HydrophobicContact CB-CG1 4.42Å; P210-V212 PolarHBondContact O-N 3.06Å; V212-S215 PolarHBondContact O-OG 3.36Å
213L97.2Very high96.3Very high0 Ų041.1 Ų41.10%022%0.224CC..Hα-helixtrans-84.4-48175.7174.562.2000111F37 I53 A209 P210 E211 S215 C216 L219 I220 L226 C247F37-L213 HydrophobicContact CE2-CB 4.15Å; F37-L213 HydrophobicContact CE2-CD1 4.47Å; I53-L213 HydrophobicContact CD1-CB 3.66Å; I53-L213 HydrophobicContact CD1-CD2 4.02Å; I53-L213 HydrophobicContact CD1-CG 4.44Å; I53-L213 HydrophobicContact CG1-CD2 4.43Å; A209-L213 HydrophobicContact CB-CD2 4.18Å; P210-L213 PolarHBondContact O-N 2.92Å; E211-L213 PolarHBondContact O-N 2.95Å; E211-L213 VanDerWaalsContact O-N 3.14Å; L213-S215 PolarHBondContact O-N 3.26Å; L213-C216 PolarHBondContact O-N 3.11Å; L213-L219 HydrophobicContact CD1-CB 4.15Å; L213-L219 HydrophobicContact CD1-CD1 4.47Å; L213-I220 HydrophobicContact CD1-CG2 4.04Å; L213-I220 HydrophobicContact CG-CG2 4.09Å; L213-I220 VanDerWaalsContact O-CG2 3.22Å; L213-I220 WeakPolarHBondContact O-CG2 3.26Å; L213-L226 HydrophobicContact CD1-CB 4.1Å; L213-L226 HydrophobicContact CD1-CD1 4.07Å; L213-L226 HydrophobicContact CD2-CB 3.86Å; L213-C247 HydrophobicContact CD2-CB 3.81Å
214R95.2Very high96.1Very high70 Ų7047.2 Ų47.226%0.26425%0.251SS..Hα-helixtrans-65.3-18.5-179.464.5176.917878.41.3113.9A209 P210 E211 I220 K224A209-R214 HydrophobicContact CB-CB 4.47Å; P210-R214 PolarHBondContact O-N 3.43Å; E211-R214 VanDerWaalsContact O-CG 3.23Å; E211-R214 WeakPolarHBondContact O-CG 3.35Å; E211-R214 PolarHBondContact O-N 2.85Å; E211-R214 VanDerWaalsContact O-N 3.17Å; E211-R214 IonicContact OE1-CZ 2.78Å; E211-R214 IonicContact OE1-NH1 3.94Å; E211-R214 IonicContact OE1-NH2 3.59Å; E211-R214 PolarHBondContact OE1-NH2 2.95Å; E211-R214 IonicContact OE2-NH2 3.5Å; E211-R214 PolarHBondContact OE2-NH2 3.41Å; R214-I220 WeakPolarHBondContact O-CD1 3.39Å; R214-K224 HydrophobicContact CB-CB 4.25Å
215S94.8Very high96.1Very high75 Ų7547.6 Ų47.652%0.52425%0.252SS..THydrogen-bonded Turntrans-84.5-18173.664.50000113.2E211 V212 L213 T217E211-S215 WeakPolarHBondContact O-CB 3.29Å; E211-S215 PolarHBondContact O-N 3.26Å; E211-S215 PolarHBondContact O-OG 2.75Å; E211-S215 VanDerWaalsContact O-OG 3.11Å; V212-S215 PolarHBondContact O-OG 3.36Å; L213-S215 PolarHBondContact O-N 3.26Å; S215-T217 PolarHBondContact O-N 3.27Å
216C95.5Very high96.1Very high15 Ų1547.6 Ų47.610%0.10125%0.252CS..  trans-88.585.3179.1-1710000110.7F37 L213 A218 L219 I220F37-C216 HydrophobicContact CB-CB 4.15Å; F37-C216 PolarHBondContact O-SG 3.41Å; F37-C216 VanDerWaalsContact O-SG 3.41Å; L213-C216 PolarHBondContact O-N 3.11Å; C216-A218 PolarHBondContact O-N 3.42Å; C216-L219 HydrophobicContact CB-CB 4.47Å; C216-L219 PolarHBondContact O-N 3.06Å; C216-I220 PolarHBondContact O-N 3.12Å
217T95.2Very high96.1Very high122 Ų12249.2 Ų49.275%0.74826%0.26SS*.THydrogen-bonded Turntrans-55.8-25.3-178.254.80000114.1S215 L219S215-T217 PolarHBondContact O-N 3.27Å; T217-L219 VanDerWaalsContact C-N 3.31Å; T217-L219 PolarHBondContact O-N 3.38Å
218A95.7Very high96.1Very high31 Ų3149.1 Ų49.126%0.25626%0.26SS..THydrogen-bonded Turntrans-68.7-26.1176.600000114P39 C216 Y238P39-A218 HydrophobicContact CG-CB 4.09Å; C216-A218 PolarHBondContact O-N 3.42Å; A218-Y238 HydrophobicContact CB-CE2 4.24Å; A218-Y238 WeakPolarHBondContact O-CE2 3.28Å
219L96.8Very high96.1Very high0 Ų050.9 Ų50.90%027%0.268CS..THydrogen-bonded Turntrans-103-12.1-174.8-70.8-177.1000114.1F37 P39 I51 L213 C216 T217 L226 N227 H235 Y238 I241F37-L219 HydrophobicContact CB-CD1 3.53Å; F37-L219 HydrophobicContact CD1-CD1 4.06Å; F37-L219 HydrophobicContact CD2-CD1 4.28Å; F37-L219 HydrophobicContact CG-CD1 3.71Å; P39-L219 HydrophobicContact CB-CD2 4.07Å; P39-L219 HydrophobicContact CG-CD2 4.01Å; P39-L219 HydrophobicContact CG-CG 4.17Å; I51-L219 HydrophobicContact CD1-CD1 3.94Å; L213-L219 HydrophobicContact CD1-CB 4.15Å; L213-L219 HydrophobicContact CD1-CD1 4.47Å; C216-L219 HydrophobicContact CB-CB 4.47Å; C216-L219 PolarHBondContact O-N 3.06Å; T217-L219 VanDerWaalsContact C-N 3.31Å; T217-L219 PolarHBondContact O-N 3.38Å; L219-L226 HydrophobicContact CB-CD1 4Å; L219-L226 HydrophobicContact CD2-CD1 4.45Å; L219-L226 WeakPolarHBondContact O-CA 3.48Å; L219-L226 WeakPolarHBondContact O-CD1 3.36Å; L219-N227 PolarHBondContact O-N 3.05Å; L219-H235 WeakPolarHBondContact CA-NE2 3.47Å; L219-H235 PolarHBondContact O-NE2 2.79Å; L219-Y238 HydrophobicContact CD2-CD2 3.66Å; L219-Y238 HydrophobicContact CD2-CE2 3.92Å; L219-I241 HydrophobicContact CD2-CD1 3.83Å
220I97.6Very high96.1Very high27 Ų2752.5 Ų52.514%0.13828%0.278CS..BIsolated β-bridgetrans-107.6154.1-171.161.1167.9000113L213 R214 C216 K224 Y225L213-I220 HydrophobicContact CD1-CG2 4.04Å; L213-I220 HydrophobicContact CG-CG2 4.09Å; L213-I220 VanDerWaalsContact O-CG2 3.22Å; L213-I220 WeakPolarHBondContact O-CG2 3.26Å; R214-I220 WeakPolarHBondContact O-CD1 3.39Å; C216-I220 PolarHBondContact O-N 3.12Å; I220-K224 HydrophobicContact CD1-CB 4.08Å; I220-K224 HydrophobicContact CD1-CG 4.15Å; I220-Y225 WeakPolarHBondContact CA-O 3.44Å; I220-Y225 WeakPolarHBondContact CB-O 3.47Å
221G94.1Very high96.1Very high16 Ų1655.9 Ų55.917%0.16529%0.291CS..  trans-92.6-171.2168.900000111.6Q223 K224 Y225G221-Q223 PolarHBondContact O-N 3.29Å; G221-K224 WeakPolarHBondContact O-CA 3.48Å; G221-K224 PolarHBondContact O-N 3.08Å; G221-Y225 PolarHBondContact N-O 3.41Å
222E92.1Very high96.1Very high196 Ų19652 Ų5292%0.91628%0.275SS*.THydrogen-bonded Turntrans-56.3-37.9179.1-65.2-177.3168.100113.1K224E222-K224 PolarHBondContact O-N 2.87Å; E222-K224 VanDerWaalsContact O-N 3.15Å
223Q91.4Very high96.2Very high123 Ų12350.9 Ų50.958%0.57527%0.268SS*.THydrogen-bonded Turntrans-73.80.8178.2-62.1172.3-2.500113.5G221 Y225G221-Q223 PolarHBondContact O-N 3.29Å; Q223-Y225 HydrophobicContact CB-CD2 4.09Å; Q223-Y225 VanDerWaalsContact O-CD2 3.22Å; Q223-Y225 WeakPolarHBondContact O-CD2 3.25Å; Q223-Y225 PolarHBondContact O-N 3.11Å
224K96.2Very high96.2Very high129 Ų12956.6 Ų56.656%0.56129%0.289SS*.SBendtrans60.924-177.9-51.8-175.5179.4178.30115.1A209 R214 I220 G221 E222A209-K224 VanDerWaalsContact CB-O 3.25Å; A209-K224 WeakPolarHBondContact CB-O 3.1Å; R214-K224 HydrophobicContact CB-CB 4.25Å; I220-K224 HydrophobicContact CD1-CB 4.08Å; I220-K224 HydrophobicContact CD1-CG 4.15Å; G221-K224 WeakPolarHBondContact O-CA 3.48Å; G221-K224 PolarHBondContact O-N 3.08Å; E222-K224 PolarHBondContact O-N 2.87Å; E222-K224 VanDerWaalsContact O-N 3.15Å
225Y98Very high96.3Very high11 Ų1153.5 Ų53.54%0.04328%0.278CS..SBendtrans-101.3161.2166.6-73.2-89.2000110.3E106 A209 I220 G221 Q223 N227 D246 C247E106-Y225 WeakPolarHBondContact OE2-CE2 3.23Å; E106-Y225 PolarHBondContact OE2-OH 2.85Å; A209-Y225 HydrophobicContact CB-CD1 3.72Å; A209-Y225 HydrophobicContact CB-CE1 3.92Å; A209-Y225 HydrophobicContact CB-CG 4.23Å; I220-Y225 WeakPolarHBondContact CA-O 3.44Å; I220-Y225 WeakPolarHBondContact CB-O 3.47Å; G221-Y225 PolarHBondContact N-O 3.41Å; Q223-Y225 HydrophobicContact CB-CD2 4.09Å; Q223-Y225 VanDerWaalsContact O-CD2 3.22Å; Q223-Y225 WeakPolarHBondContact O-CD2 3.25Å; Q223-Y225 PolarHBondContact O-N 3.11Å; Y225-N227 PolarHBondContact O-N 3.3Å; Y225-D246 WeakPolarHBondContact CE1-O 3.41Å; Y225-C247 WeakPolarHBondContact CD1-O 3.33Å
226L98.4Very high96.4Very high0 Ų053.9 Ų53.90%028%0.277CS..BIsolated β-bridgetrans-55.5125175.9178.370.1000109.8I51 L213 L219 V228 C247 N249I51-L226 HydrophobicContact CB-CD2 3.68Å; I51-L226 HydrophobicContact CD1-CD1 3.73Å; I51-L226 HydrophobicContact CD1-CD2 4.06Å; I51-L226 HydrophobicContact CG1-CD2 4.36Å; I51-L226 HydrophobicContact CG2-CD2 3.99Å; L213-L226 HydrophobicContact CD1-CB 4.1Å; L213-L226 HydrophobicContact CD1-CD1 4.07Å; L213-L226 HydrophobicContact CD2-CB 3.86Å; L219-L226 HydrophobicContact CB-CD1 4Å; L219-L226 HydrophobicContact CD2-CD1 4.45Å; L219-L226 WeakPolarHBondContact O-CA 3.48Å; L219-L226 WeakPolarHBondContact O-CD1 3.36Å; L226-V228 HydrophobicContact CD2-CG1 4.05Å; L226-V228 HydrophobicContact CG-CG1 3.95Å; L226-V228 PolarHBondContact O-N 3.28Å; L226-C247 WeakPolarHBondContact CB-O 3.29Å; L226-C247 PolarHBondContact N-O 3.08Å; L226-N249 PolarHBondContact O-N 2.94Å; L226-N249 PolarHBondContact O-OD1 3.05Å
227N98.2Very high96.4Very high43 Ų4359 Ų5923%0.2330%0.298CS..  trans-87.296.9-171.4-162.90.1000111.5L219 Y225 H235 V236 N249L219-N227 PolarHBondContact O-N 3.05Å; Y225-N227 PolarHBondContact O-N 3.3Å; N227-H235 WeakPolarHBondContact O-CA 3.49Å; N227-H235 PolarHBondContact O-CD2 2.84Å; N227-H235 PolarHBondContact O-NE2 3.2Å; N227-V236 HydrophobicContact CB-CG2 4.03Å; N227-V236 WeakPolarHBondContact ND2-CG2 3.29Å; N227-V236 PolarHBondContact O-N 3.3Å; N227-N249 PolarHBondContact OD1-ND2 3.13Å
228V98.3Very high96.4Very high3 Ų354.3 Ų54.32%0.01827%0.266CS..BIsolated β-bridgetrans-115.9152.2179.9-58.40000111.4L226 R234 A248 N249 V250L226-V228 HydrophobicContact CD2-CG1 4.05Å; L226-V228 HydrophobicContact CG-CG1 3.95Å; L226-V228 PolarHBondContact O-N 3.28Å; V228-R234 CarbonylContact C-O 3.45Å; V228-R234 VanDerWaalsContact CA-O 3.29Å; V228-R234 WeakPolarHBondContact CA-O 3.45Å; V228-R234 WeakPolarHBondContact CB-O 3.01Å; V228-A248 HydrophobicContact CG2-CB 3.95Å; V228-N249 WeakPolarHBondContact CG2-OD1 3.5Å; V228-N249 PolarHBondContact N-OD1 3.1Å; V228-N249 PolarHBondContact O-OD1 3.32Å; V228-V250 HydrophobicContact CG2-CG2 3.79Å
229D97.5Very high96.3Very high58 Ų5857 Ų5731%0.3128%0.281SS..  trans-63125.8163170.2-79.9000108.5F231 T232 L233 R234D229-F231 PolarHBondContact O-N 2.83Å; D229-F231 WeakPolarHBondContact OD1-CA 3.28Å; D229-F231 WeakPolarHBondContact OD1-CB 3.18Å; D229-F231 PolarHBondContact OD1-N 2.87Å; D229-T232 WeakPolarHBondContact CB-OG1 3.36Å; D229-T232 VanDerWaalsContact CG-OG1 3.31Å; D229-T232 PolarHBondContact O-N 2.74Å; D229-T232 WeakPolarHBondContact OD1-CB 3.5Å; D229-T232 WeakPolarHBondContact OD1-CG2 3.2Å; D229-T232 PolarHBondContact OD1-N 3.13Å; D229-T232 PolarHBondContact OD1-OG1 3.25Å; D229-L233 VanDerWaalsContact O-CA 3.28Å; D229-L233 WeakPolarHBondContact O-CA 3.24Å; D229-L233 PolarHBondContact O-N 3.12Å; D229-R234 PolarHBondContact N-O 3.28Å
230P97.2Very high96.1Very high35 Ų3558.9 Ų58.923%0.22729%0.291CS..THydrogen-bonded Turntrans-66-26.2-170.824.4-33.5000112.7P251 Y285 Y307P230-P251 HydrophobicContact CB-CG 4.24Å; P230-Y285 WeakPolarHBondContact O-CD1 3.32Å; P230-Y307 WeakPolarHBondContact CB-OH 3.42Å; P230-Y307 PolarHBondContact O-OH 3.16Å
231F96.9Very high96Very high88 Ų8857.6 Ų57.639%0.38628%0.284SS..THydrogen-bonded Turntrans-87.2-35.5-176.4-59.8-79.6000112.9D229 K284 Y285 Y307D229-F231 PolarHBondContact O-N 2.83Å; D229-F231 WeakPolarHBondContact OD1-CA 3.28Å; D229-F231 WeakPolarHBondContact OD1-CB 3.18Å; D229-F231 PolarHBondContact OD1-N 2.87Å; F231-K284 HydrophobicContact CB-CB 4.07Å; F231-K284 HydrophobicContact CB-CD 4.23Å; F231-K284 HydrophobicContact CB-CG 4.12Å; F231-K284 HydrophobicContact CD1-CB 4.33Å; F231-K284 HydrophobicContact CG-CD 4.5Å; F231-K284 WeakPolarHBondContact O-CA 3.32Å; F231-Y285 VanDerWaalsContact CD1-O 3.28Å; F231-Y285 WeakPolarHBondContact CD1-O 3.25Å; F231-Y285 PolarHBondContact O-N 3.15Å; F231-Y307 HydrophobicContact CD1-CE2 4.09Å; F231-Y307 HydrophobicContact CE1-CD2 4.02Å; F231-Y307 AromaticContact CE1-CE2 3.84Å; F231-Y307 HydrophobicContact CE1-CE2 3.84Å; F231-Y307 HydrophobicContact CZ-CE2 4.46Å
232T96Very high96.2Very high26 Ų2657.1 Ų57.116%0.1628%0.278CS..THydrogen-bonded Turntrans-105.5-16.9-173.563.30000113.1D229 R234D229-T232 WeakPolarHBondContact CB-OG1 3.36Å; D229-T232 VanDerWaalsContact CG-OG1 3.31Å; D229-T232 PolarHBondContact O-N 2.74Å; D229-T232 WeakPolarHBondContact OD1-CB 3.5Å; D229-T232 WeakPolarHBondContact OD1-CG2 3.2Å; D229-T232 PolarHBondContact OD1-N 3.13Å; D229-T232 PolarHBondContact OD1-OG1 3.25Å; T232-R234 PolarHBondContact O-N 2.86Å; T232-R234 VanDerWaalsContact O-N 3.17Å
233L97.9Very high96.5Very high0 Ų047.8 Ų47.80%023%0.234CC..  trans63.610.7-177.7-55.5171.6000114.4D229 Y242 G243 V250 Q262 V265 L266 Y285D229-L233 VanDerWaalsContact O-CA 3.28Å; D229-L233 WeakPolarHBondContact O-CA 3.24Å; D229-L233 PolarHBondContact O-N 3.12Å; L233-Y242 CarbonylContact O-C 3.18Å; L233-Y242 VanDerWaalsContact O-CA 3.29Å; L233-Y242 WeakPolarHBondContact O-CA 3.23Å; L233-G243 WeakPolarHBondContact CB-O 3.49Å; L233-G243 PolarHBondContact O-N 3.22Å; L233-V250 HydrophobicContact CD2-CG2 3.68Å; L233-Q262 HydrophobicContact CD1-CB 3.54Å; L233-Q262 HydrophobicContact CD1-CG 3.86Å; L233-Q262 WeakPolarHBondContact CD1-O 3.25Å; L233-Q262 HydrophobicContact CD2-CG 4.21Å; L233-V265 HydrophobicContact CD1-CB 4.14Å; L233-V265 HydrophobicContact CD1-CG1 4.12Å; L233-V265 HydrophobicContact CG-CG1 4.44Å; L233-L266 HydrophobicContact CB-CD2 3.63Å; L233-L266 HydrophobicContact CB-CG 4.25Å; L233-L266 HydrophobicContact CD1-CD2 4.14Å; L233-L266 HydrophobicContact CD1-CG 3.88Å; L233-Y285 HydrophobicContact CD2-CD1 4.45Å
234R97.2Very high96.8Very high120 Ų12042.9 Ų42.945%0.45321%0.212SC..BIsolated β-bridgetrans-81.1141.5174.1-174.5176.159.4174.6-1.9109.5V228 D229 T232 V236 P239 Y242V228-R234 CarbonylContact C-O 3.45Å; V228-R234 VanDerWaalsContact CA-O 3.29Å; V228-R234 WeakPolarHBondContact CA-O 3.45Å; V228-R234 WeakPolarHBondContact CB-O 3.01Å; D229-R234 PolarHBondContact N-O 3.28Å; T232-R234 PolarHBondContact O-N 2.86Å; T232-R234 VanDerWaalsContact O-N 3.17Å; R234-V236 PolarHBondContact O-N 3.41Å; R234-P239 WeakPolarHBondContact CD-O 3.49Å; R234-Y242 HydrophobicContact CB-CD1 3.82Å; R234-Y242 HydrophobicContact CB-CE1 3.77Å; R234-Y242 HydrophobicContact CG-CD1 4.16Å; R234-Y242 HydrophobicContact CG-CE1 3.84Å
235H97.6Very high96.9Very high5 Ų537.1 Ų37.12%0.02319%0.189CC..BIsolated β-bridgetrans-60.1137.7174.9-170.2-94.2000110.6L219 N227 K237 Y238 I241L219-H235 WeakPolarHBondContact CA-NE2 3.47Å; L219-H235 PolarHBondContact O-NE2 2.79Å; N227-H235 WeakPolarHBondContact O-CA 3.49Å; N227-H235 PolarHBondContact O-CD2 2.84Å; N227-H235 PolarHBondContact O-NE2 3.2Å; H235-K237 VanDerWaalsContact C-N 3.27Å; H235-K237 PolarHBondContact ND1-N 3.27Å; H235-K237 VanDerWaalsContact ND1-N 3.18Å; H235-K237 PolarHBondContact O-N 2.93Å; H235-Y238 AromaticContact CE1-CD2 3.47Å; H235-Y238 VanDerWaalsContact CE1-CD2 3.47Å; H235-Y238 WeakPolarHBondContact CE1-CD2 3.38Å; H235-Y238 AromaticContact ND1-CD2 3.32Å; H235-Y238 VanDerWaalsContact ND1-CD2 3.32Å; H235-Y238 WeakPolarHBondContact ND1-CD2 3.38Å; H235-Y238 AromaticContact ND1-CG 3.94Å; H235-Y238 PolarHBondContact ND1-N 3.25Å; H235-Y238 VanDerWaalsContact ND1-N 3.18Å; H235-I241 HydrophobicContact CB-CB 3.84Å; H235-I241 HydrophobicContact CB-CG2 3.97Å; H235-I241 WeakPolarHBondContact CB-O 3.47Å; H235-I241 PolarHBondContact N-O 2.73Å
236V97Very high96.9Very high83 Ų8337.6 Ų37.650%0.50319%0.192SC..SBendtrans-65.9-29.2-172.5-60.70000113.3N227 R234N227-V236 HydrophobicContact CB-CG2 4.03Å; N227-V236 WeakPolarHBondContact ND2-CG2 3.29Å; N227-V236 PolarHBondContact O-N 3.3Å; R234-V236 PolarHBondContact O-N 3.41Å
237K95.8Very high96.9Very high123 Ų12337.6 Ų37.654%0.53519%0.192SC..SBendtrans-102.6-30.6-179.3-175.4-177.2174.1-164.90113.9E40 H235E40-K237 IonicContact OE1-NZ 3.81Å; H235-K237 VanDerWaalsContact C-N 3.27Å; H235-K237 PolarHBondContact ND1-N 3.27Å; H235-K237 VanDerWaalsContact ND1-N 3.18Å; H235-K237 PolarHBondContact O-N 2.93Å
238Y95.2Very high96.9Very high24 Ų2435.6 Ų35.69%0.09418%0.182CC..  trans-117.7101.8-167.8-65.9-70.6000109.2P39 E40 A218 L219 H235 N240 I241P39-Y238 HydrophobicContact CB-CD1 4.12Å; P39-Y238 HydrophobicContact CB-CD2 3.96Å; P39-Y238 HydrophobicContact CB-CE1 3.9Å; P39-Y238 HydrophobicContact CB-CE2 3.78Å; P39-Y238 HydrophobicContact CB-CG 4.18Å; P39-Y238 HydrophobicContact CG-CD2 4.19Å; P39-Y238 HydrophobicContact CG-CE1 4.1Å; P39-Y238 HydrophobicContact CG-CE2 3.53Å; P39-Y238 VanDerWaalsContact CG-CZ 3.48Å; E40-Y238 HydrophobicContact CG-CE1 4.34Å; E40-Y238 PolarHBondContact OE1-OH 3.02Å; A218-Y238 HydrophobicContact CB-CE2 4.24Å; A218-Y238 WeakPolarHBondContact O-CE2 3.28Å; L219-Y238 HydrophobicContact CD2-CD2 3.66Å; L219-Y238 HydrophobicContact CD2-CE2 3.92Å; H235-Y238 AromaticContact CE1-CD2 3.47Å; H235-Y238 VanDerWaalsContact CE1-CD2 3.47Å; H235-Y238 WeakPolarHBondContact CE1-CD2 3.38Å; H235-Y238 AromaticContact ND1-CD2 3.32Å; H235-Y238 VanDerWaalsContact ND1-CD2 3.32Å; H235-Y238 WeakPolarHBondContact ND1-CD2 3.38Å; H235-Y238 AromaticContact ND1-CG 3.94Å; H235-Y238 PolarHBondContact ND1-N 3.25Å; H235-Y238 VanDerWaalsContact ND1-N 3.18Å; Y238-N240 PolarHBondContact O-N 2.83Å; Y238-N240 VanDerWaalsContact O-N 3.12Å; Y238-I241 HydrophobicContact CD2-CD1 4.03Å; Y238-I241 HydrophobicContact CG-CD1 3.84Å; Y238-I241 PolarHBondContact O-N 2.86Å
239P92.8Very high96.9Very high86 Ų8637.1 Ų37.156%0.55819%0.189SC*.THydrogen-bonded Turntrans-67.8-18.1-16625.5-34.8000114.4R234 Y242R234-P239 WeakPolarHBondContact CD-O 3.49Å; P239-Y242 PolarHBondContact O-OH 2.92Å
240N93.1Very high96.9Very high40 Ų4034.8 Ų34.821%0.21418%0.177CC..THydrogen-bonded Turntrans-98.63177.469.3-33.2000113.7E47 H48 M49 Y238E47-N240 VanDerWaalsContact O-CB 3.31Å; E47-N240 WeakPolarHBondContact O-CB 3.13Å; E47-N240 PolarHBondContact O-ND2 2.97Å; H48-N240 WeakPolarHBondContact CA-O 3.39Å; M49-N240 PolarHBondContact N-O 2.77Å; Y238-N240 PolarHBondContact O-N 2.83Å; Y238-N240 VanDerWaalsContact O-N 3.12Å
241I96Very high96.8Very high0 Ų037.3 Ų37.30%019%0.194CC..EExtended strand (participates in β ladder)trans-105.4138.2176-58.4-178.9000109P39 M49 I51 L219 H235 Y238P39-I241 HydrophobicContact CB-CD1 3.61Å; M49-I241 HydrophobicContact CB-CG1 4.47Å; M49-I241 HydrophobicContact CE-CB 4.45Å; M49-I241 HydrophobicContact CE-CD1 3.5Å; M49-I241 VanDerWaalsContact CE-CD1 3.5Å; M49-I241 HydrophobicContact CE-CG1 3.75Å; M49-I241 HydrophobicContact CE-CG2 3.91Å; M49-I241 CarbonylContact O-C 3.5Å; M49-I241 WeakPolarHBondContact O-CA 3.35Å; I51-I241 HydrophobicContact CD1-CG2 3.97Å; I51-I241 HydrophobicContact CG1-CG2 4.43Å; L219-I241 HydrophobicContact CD2-CD1 3.83Å; H235-I241 HydrophobicContact CB-CB 3.84Å; H235-I241 HydrophobicContact CB-CG2 3.97Å; H235-I241 WeakPolarHBondContact CB-O 3.47Å; H235-I241 PolarHBondContact N-O 2.73Å; Y238-I241 HydrophobicContact CD2-CD1 4.03Å; Y238-I241 HydrophobicContact CG-CD1 3.84Å; Y238-I241 PolarHBondContact O-N 2.86Å
242Y97.6Very high96.8Very high7 Ų734.5 Ų34.53%0.02718%0.184CC..EExtended strand (participates in β ladder)trans-134157179.4-57.2-98.3000110H48 M49 V50 I51 L233 R234 P239 L266 T269 L270H48-Y242 AromaticContact ND1-CE2 3.95Å; M49-Y242 PolarHBondContact O-N 3.29Å; V50-Y242 WeakPolarHBondContact CA-O 3.22Å; I51-Y242 PolarHBondContact N-O 3.36Å; L233-Y242 CarbonylContact O-C 3.18Å; L233-Y242 VanDerWaalsContact O-CA 3.29Å; L233-Y242 WeakPolarHBondContact O-CA 3.23Å; R234-Y242 HydrophobicContact CB-CD1 3.82Å; R234-Y242 HydrophobicContact CB-CE1 3.77Å; R234-Y242 HydrophobicContact CG-CD1 4.16Å; R234-Y242 HydrophobicContact CG-CE1 3.84Å; P239-Y242 PolarHBondContact O-OH 2.92Å; Y242-L266 HydrophobicContact CD1-CD2 3.71Å; Y242-L266 HydrophobicContact CG-CD2 4.07Å; Y242-T269 HydrophobicContact CE1-CG2 4Å; Y242-L270 HydrophobicContact CD2-CD2 3.92Å; Y242-L270 HydrophobicContact CE1-CD2 4.21Å; Y242-L270 HydrophobicContact CE2-CD2 3.4Å; Y242-L270 VanDerWaalsContact CE2-CD2 3.4Å; Y242-L270 HydrophobicContact CE2-CG 4.42Å
243G98Very high96.9Very high0 Ų034.6 Ų34.60%019%0.186CC..EExtended strand (participates in β ladder)trans-128.3144.2179.200000112.4I51 L233I51-G243 WeakPolarHBondContact O-CA 3.35Å; L233-G243 WeakPolarHBondContact CB-O 3.49Å; L233-G243 PolarHBondContact O-N 3.22Å
244I98.3Very high96.8Very high20 Ų2035.6 Ų35.610%0.10319%0.19CC..  trans-141.5143.7174.4-175.1168.9000111.4V50 I51 A52 C247 I259 Q262 L266V50-I244 HydrophobicContact CG1-CG2 3.82Å; I51-I244 PolarHBondContact O-N 3.05Å; A52-I244 HydrophobicContact CB-CG2 3.48Å; A52-I244 VanDerWaalsContact CB-CG2 3.48Å; I244-C247 PolarHBondContact O-SG 3.38Å; I244-I259 HydrophobicContact CD1-CG2 3.82Å; I244-I259 HydrophobicContact CG1-CG2 3.9Å; I244-Q262 HydrophobicContact CD1-CB 3.9Å; I244-Q262 HydrophobicContact CG1-CB 3.77Å; I244-L266 HydrophobicContact CB-CD1 3.81Å; I244-L266 HydrophobicContact CD1-CD1 4.22Å; I244-L266 HydrophobicContact CG1-CD1 4.49Å; I244-L266 HydrophobicContact CG2-CD1 4.24Å
245G98.2Very high96.9Very high8 Ų830.3 Ų30.38%0.08217%0.171CC..G310 helixtrans72-148.5174.500000114C247 A248G245-C247 PolarHBondContact O-N 3.43Å; G245-C247 VanDerWaalsContact O-N 3.15Å; G245-A248 PolarHBondContact O-N 3.41Å
246D98.3Very high96.8Very high21 Ų2134 Ų3411%0.11219%0.191CC..G310 helixtrans-67.3-21.6-159.8-57-6.8000113.9M55 Y225 A248 K254M55-D246 HydrophobicContact CB-CB 3.88Å; M55-D246 HydrophobicContact CG-CB 3.73Å; M55-D246 HydrophobicContact SD-CB 3.76Å; Y225-D246 WeakPolarHBondContact CE1-O 3.41Å; D246-A248 VanDerWaalsContact C-N 3.31Å; D246-A248 PolarHBondContact O-N 2.71Å; D246-K254 HydrophobicContact CB-CB 4.35Å; D246-K254 HydrophobicContact CB-CD 4.05Å; D246-K254 HydrophobicContact CB-CG 4.47Å; D246-K254 PolarHBondContact O-NZ 3.17Å; D246-K254 WeakPolarHBondContact OD1-CB 3.42Å
247C98Very high96.9Very high0 Ų031 Ų310%018%0.175CC..G310 helixtrans-77-14.4179.862.90000114I51 I53 G54 L213 Y225 L226 I244 G245I51-C247 PolarHBondContact O-SG 2.84Å; I51-C247 VanDerWaalsContact O-SG 3.41Å; I53-C247 HydrophobicContact CG1-CB 3.79Å; G54-C247 VanDerWaalsContact O-CA 3.22Å; G54-C247 WeakPolarHBondContact O-CA 3.38Å; G54-C247 WeakPolarHBondContact O-CB 3.09Å; G54-C247 PolarHBondContact O-N 3.22Å; L213-C247 HydrophobicContact CD2-CB 3.81Å; Y225-C247 WeakPolarHBondContact CD1-O 3.33Å; L226-C247 WeakPolarHBondContact CB-O 3.29Å; L226-C247 PolarHBondContact N-O 3.08Å; I244-C247 PolarHBondContact O-SG 3.38Å; G245-C247 PolarHBondContact O-N 3.43Å; G245-C247 VanDerWaalsContact O-N 3.15Å
248A98Very high97Very high1 Ų125.3 Ų25.31%0.00815%0.15CC..BIsolated β-bridgetrans-95.1151.8-176.700000112.3V228 G245 D246 V250 K254V228-A248 HydrophobicContact CG2-CB 3.95Å; G245-A248 PolarHBondContact O-N 3.41Å; D246-A248 VanDerWaalsContact C-N 3.31Å; D246-A248 PolarHBondContact O-N 2.71Å; A248-V250 HydrophobicContact CB-CG2 3.83Å; A248-V250 PolarHBondContact O-N 2.85Å; A248-K254 PolarHBondContact O-NZ 3.22Å
249N97.5Very high97.1Very high34 Ų3425.9 Ų25.918%0.18216%0.155CC..  trans-77.528.3177.470.4-22.5000113.6L226 N227 V228 P251L226-N249 PolarHBondContact O-N 2.94Å; L226-N249 PolarHBondContact O-OD1 3.05Å; N227-N249 PolarHBondContact OD1-ND2 3.13Å; V228-N249 WeakPolarHBondContact CG2-OD1 3.5Å; V228-N249 PolarHBondContact N-OD1 3.1Å; V228-N249 PolarHBondContact O-OD1 3.32Å; N249-P251 WeakPolarHBondContact O-CD 3.35Å
250V97.7Very high97.3Very high9 Ų922.1 Ų22.16%0.05513%0.13CC..  trans-70.1121.6-177.6-172.90000108.6V228 L233 A248 T252 Y285 Y307V228-V250 HydrophobicContact CG2-CG2 3.79Å; L233-V250 HydrophobicContact CD2-CG2 3.68Å; A248-V250 HydrophobicContact CB-CG2 3.83Å; A248-V250 PolarHBondContact O-N 2.85Å; V250-T252 HydrophobicContact CG1-CG2 4.01Å; V250-T252 PolarHBondContact O-N 3.24Å; V250-Y285 HydrophobicContact CG1-CD1 3.88Å; V250-Y285 HydrophobicContact CG1-CE1 3.55Å; V250-Y307 HydrophobicContact CG1-CE1 4.22Å; V250-Y307 VanDerWaalsContact CG1-OH 3.3Å; V250-Y307 WeakPolarHBondContact CG1-OH 3.38Å
251P96.2Very high97.5Very high89 Ų8920.8 Ų20.858%0.57812%0.123SC*.SBendtrans-79.264.8-168.231.8-35.4000111.9P230 N249 Y307P230-P251 HydrophobicContact CB-CG 4.24Å; N249-P251 WeakPolarHBondContact O-CD 3.35Å; P251-Y307 HydrophobicContact CG-CD1 4.07Å; P251-Y307 HydrophobicContact CG-CE1 3.68Å; P251-Y307 WeakPolarHBondContact O-CD1 3.15Å
252T96.8Very high97.6Very high28 Ų2821 Ų2117%0.17213%0.125CC..SBendtrans-149.8172.2177.3-171.50000109.8V250 K254 Y285 G287 T289V250-T252 HydrophobicContact CG1-CG2 4.01Å; V250-T252 PolarHBondContact O-N 3.24Å; T252-K254 PolarHBondContact O-N 3.14Å; T252-Y285 HydrophobicContact CG2-CE1 4.09Å; T252-Y285 WeakPolarHBondContact CG2-OH 3.29Å; T252-G287 WeakPolarHBondContact CB-O 3.22Å; T252-G287 PolarHBondContact OG1-O 3.09Å; T252-T289 WeakPolarHBondContact OG1-CG2 3.49Å
253S96.9Very high97.5Very high29 Ų2921.9 Ų21.920%0.20314%0.135CC..  trans-65.8127.9176.1-68.10000111.6T255 T289 F305S253-T255 PolarHBondContact O-N 2.8Å; S253-T289 PolarHBondContact O-OG1 3.16Å; S253-F305 WeakPolarHBondContact OG-CZ 3.45Å
254K97.7Very high97.4Very high20 Ų2023 Ų239%0.08714%0.14CC..  trans-70.792.7175.8-65.4-179-163.7-78.60110.9M55 E106 C109 D246 A248 T252M55-K254 HydrophobicContact CE-CD 3.66Å; M55-K254 HydrophobicContact SD-CB 4.45Å; M55-K254 HydrophobicContact SD-CD 3.59Å; M55-K254 VanDerWaalsContact SD-CD 3.59Å; E106-K254 WeakPolarHBondContact OE2-CE 3.25Å; E106-K254 IonicContact OE2-NZ 3.97Å; E106-K254 PolarHBondContact OE2-NZ 3Å; C109-K254 PolarHBondContact N-O 3.05Å; D246-K254 HydrophobicContact CB-CB 4.35Å; D246-K254 HydrophobicContact CB-CD 4.05Å; D246-K254 HydrophobicContact CB-CG 4.47Å; D246-K254 PolarHBondContact O-NZ 3.17Å; D246-K254 WeakPolarHBondContact OD1-CB 3.42Å; A248-K254 PolarHBondContact O-NZ 3.22Å; T252-K254 PolarHBondContact O-N 3.14Å
255T97.8Very high97.2Very high10 Ų1022.1 Ų22.16%0.06114%0.135CC..  trans-137.8156.8-176.275.30000111S253 A257 A258 I259 T289 S290S253-T255 PolarHBondContact O-N 2.8Å; T255-A257 PolarHBondContact O-N 3.26Å; T255-A257 PolarHBondContact OG1-N 3.02Å; T255-A258 WeakPolarHBondContact O-CB 3.37Å; T255-A258 PolarHBondContact O-N 3.18Å; T255-A258 VanDerWaalsContact O-N 3.1Å; T255-A258 PolarHBondContact OG1-N 3.2Å; T255-A258 VanDerWaalsContact OG1-N 3.13Å; T255-I259 WeakPolarHBondContact O-CG1 3.49Å; T255-I259 PolarHBondContact O-N 2.89Å; T255-I259 VanDerWaalsContact O-N 3.14Å; T255-T289 WeakPolarHBondContact CG2-OG1 3.47Å; T255-T289 PolarHBondContact OG1-OG1 3.36Å; T255-S290 WeakPolarHBondContact CG2-O 3.45Å; T255-S290 PolarHBondContact OG1-O 3.35Å
256L96.8Very high97.1Very high83 Ų8322.2 Ų22.244%0.43513%0.134SC..Hα-helixtrans-53.5-40.1170.3174.261.8000111.9A258 I259 T260 Y338 Y342L256-A258 VanDerWaalsContact C-N 3.31Å; L256-A258 PolarHBondContact O-N 2.85Å; L256-I259 WeakPolarHBondContact O-CB 3.04Å; L256-I259 PolarHBondContact O-N 2.79Å; L256-I259 VanDerWaalsContact O-N 3.08Å; L256-T260 HydrophobicContact CD1-CG2 4.32Å; L256-T260 HydrophobicContact CG-CG2 4.39Å; L256-T260 VanDerWaalsContact O-CG2 3.24Å; L256-T260 WeakPolarHBondContact O-CG2 3.47Å; L256-T260 PolarHBondContact O-N 3.13Å; L256-Y338 HydrophobicContact CD1-CD2 3.95Å; L256-Y338 HydrophobicContact CD1-CE2 3.74Å; L256-Y338 HydrophobicContact CD2-CD2 3.49Å; L256-Y338 VanDerWaalsContact CD2-CD2 3.49Å; L256-Y338 HydrophobicContact CD2-CE2 3.9Å; L256-Y338 HydrophobicContact CD2-CG 4.33Å; L256-Y338 HydrophobicContact CG-CD2 4.34Å; L256-Y338 HydrophobicContact CG-CE2 4.49Å; L256-Y342 HydrophobicContact CD1-CD1 3.99Å; L256-Y342 HydrophobicContact CD1-CE1 3.59Å
257A97.6Very high96.8Very high20 Ų2027.2 Ų27.217%0.16515%0.151CC..Hα-helixtrans-61.3-38.6179.500000112.5T255 T260 T261 Y288 S290T255-A257 PolarHBondContact O-N 3.26Å; T255-A257 PolarHBondContact OG1-N 3.02Å; A257-T260 PolarHBondContact O-N 3.13Å; A257-T260 PolarHBondContact O-OG1 3.03Å; A257-T261 PolarHBondContact O-N 3.18Å; A257-Y288 HydrophobicContact CB-CE1 4.2Å; A257-S290 VanDerWaalsContact CB-CB 3.49Å
258A98.1Very high96.6Very high2 Ų231.8 Ų31.82%0.01717%0.169CC..Hα-helixtrans-60.5-49.2170.700000111.2T255 L256 T260 T261 Q262 Y285 Y288T255-A258 WeakPolarHBondContact O-CB 3.37Å; T255-A258 PolarHBondContact O-N 3.18Å; T255-A258 VanDerWaalsContact O-N 3.1Å; T255-A258 PolarHBondContact OG1-N 3.2Å; T255-A258 VanDerWaalsContact OG1-N 3.13Å; L256-A258 VanDerWaalsContact C-N 3.31Å; L256-A258 PolarHBondContact O-N 2.85Å; A258-T260 PolarHBondContact O-N 3.49Å; A258-T261 PolarHBondContact O-N 2.8Å; A258-T261 VanDerWaalsContact O-N 3.09Å; A258-Q262 WeakPolarHBondContact O-CB 3.16Å; A258-Q262 VanDerWaalsContact O-CG 3.25Å; A258-Q262 WeakPolarHBondContact O-CG 3.34Å; A258-Q262 PolarHBondContact O-N 3.1Å; A258-Y285 WeakPolarHBondContact CB-OH 3.2Å; A258-Y288 WeakPolarHBondContact CA-O 3.38Å
259I97.8Very high96.3Very high37 Ų3732.5 Ų32.519%0.1917%0.173CC..Hα-helixtrans-57.4-37.9179.1-54.7173.7000111I244 T255 L256 T261 Q262 G263 Y342I244-I259 HydrophobicContact CD1-CG2 3.82Å; I244-I259 HydrophobicContact CG1-CG2 3.9Å; T255-I259 WeakPolarHBondContact O-CG1 3.49Å; T255-I259 PolarHBondContact O-N 2.89Å; T255-I259 VanDerWaalsContact O-N 3.14Å; L256-I259 WeakPolarHBondContact O-CB 3.04Å; L256-I259 PolarHBondContact O-N 2.79Å; L256-I259 VanDerWaalsContact O-N 3.08Å; I259-T261 PolarHBondContact O-N 2.84Å; I259-Q262 PolarHBondContact O-N 3.47Å; I259-G263 PolarHBondContact O-N 3.17Å; I259-Y342 WeakPolarHBondContact CG2-OH 3.48Å
260T96.9Very high96Very high7 Ų731.9 Ų31.94%0.04317%0.17CC..Hα-helixtrans-61.9-40.8178.269.90000113.1L256 A257 A258 K264 Y342 G349L256-T260 HydrophobicContact CD1-CG2 4.32Å; L256-T260 HydrophobicContact CG-CG2 4.39Å; L256-T260 VanDerWaalsContact O-CG2 3.24Å; L256-T260 WeakPolarHBondContact O-CG2 3.47Å; L256-T260 PolarHBondContact O-N 3.13Å; A257-T260 PolarHBondContact O-N 3.13Å; A257-T260 PolarHBondContact O-OG1 3.03Å; A258-T260 PolarHBondContact O-N 3.49Å; T260-K264 PolarHBondContact O-N 3.08Å; T260-Y342 HydrophobicContact CG2-CD2 3.65Å; T260-Y342 HydrophobicContact CG2-CE2 3.66Å; T260-Y342 HydrophobicContact CG2-CG 4.12Å; T260-G349 WeakPolarHBondContact OG1-CA 3.44Å
261T96.9Very high95.8Very high12 Ų1235 Ų357%0.07419%0.185CC..Hα-helixtrans-78.6-36.1178.3-56.60000111.5A257 A258 I259 G263 K264 V265 Y285 Y288A257-T261 PolarHBondContact O-N 3.18Å; A258-T261 PolarHBondContact O-N 2.8Å; A258-T261 VanDerWaalsContact O-N 3.09Å; I259-T261 PolarHBondContact O-N 2.84Å; T261-G263 VanDerWaalsContact C-N 3.33Å; T261-G263 PolarHBondContact O-N 3.24Å; T261-K264 WeakPolarHBondContact O-CB 3.17Å; T261-K264 PolarHBondContact O-N 3.33Å; T261-V265 PolarHBondContact O-N 3.1Å; T261-V265 VanDerWaalsContact O-N 3.15Å; T261-Y285 HydrophobicContact CG2-CD2 3.8Å; T261-Y285 HydrophobicContact CG2-CE2 3.86Å; T261-Y288 WeakPolarHBondContact OG1-CD1 3.47Å
262Q97.7Very high95.6Very high5 Ų532 Ų322%0.02317%0.166CC..Hα-helixtrans-61.2-41.4173.3-71.1170.9-400111.6L233 I244 A258 I259 K264 V265 L266 Y285L233-Q262 HydrophobicContact CD1-CB 3.54Å; L233-Q262 HydrophobicContact CD1-CG 3.86Å; L233-Q262 WeakPolarHBondContact CD1-O 3.25Å; L233-Q262 HydrophobicContact CD2-CG 4.21Å; I244-Q262 HydrophobicContact CD1-CB 3.9Å; I244-Q262 HydrophobicContact CG1-CB 3.77Å; A258-Q262 WeakPolarHBondContact O-CB 3.16Å; A258-Q262 VanDerWaalsContact O-CG 3.25Å; A258-Q262 WeakPolarHBondContact O-CG 3.34Å; A258-Q262 PolarHBondContact O-N 3.1Å; I259-Q262 PolarHBondContact O-N 3.47Å; Q262-K264 VanDerWaalsContact C-N 3.28Å; Q262-K264 PolarHBondContact O-N 2.76Å; Q262-V265 WeakPolarHBondContact O-CB 3.5Å; Q262-V265 PolarHBondContact O-N 3.27Å; Q262-L266 PolarHBondContact O-N 3.12Å; Q262-Y285 HydrophobicContact CG-CD1 4.12Å; Q262-Y285 HydrophobicContact CG-CD2 4.29Å; Q262-Y285 HydrophobicContact CG-CE1 3.89Å; Q262-Y285 HydrophobicContact CG-CE2 4.03Å; Q262-Y285 HydrophobicContact CG-CG 4.33Å
263G96.2Very high95.3Very high24 Ų2433 Ų3325%0.24717%0.17CC..Hα-helixtrans-60.4-37.9174.800000112.4I259 T261 V265 L266 R267I259-G263 PolarHBondContact O-N 3.17Å; T261-G263 VanDerWaalsContact C-N 3.33Å; T261-G263 PolarHBondContact O-N 3.24Å; G263-V265 VanDerWaalsContact C-N 3.32Å; G263-V265 PolarHBondContact O-N 3.41Å; G263-L266 PolarHBondContact O-N 2.91Å; G263-R267 VanDerWaalsContact O-CB 3.27Å; G263-R267 WeakPolarHBondContact O-CB 3.43Å; G263-R267 PolarHBondContact O-N 3.36Å
264K95.1Very high94.9Very high24 Ų2436.4 Ų36.410%0.10419%0.185CC..Hα-helixtrans-60.2-40.8172.2136172-129.4-162.30112.5T260 T261 Q262 R268 I283 E348 S351T260-K264 PolarHBondContact O-N 3.08Å; T261-K264 WeakPolarHBondContact O-CB 3.17Å; T261-K264 PolarHBondContact O-N 3.33Å; Q262-K264 VanDerWaalsContact C-N 3.28Å; Q262-K264 PolarHBondContact O-N 2.76Å; K264-R268 WeakPolarHBondContact O-CB 3.26Å; K264-R268 WeakPolarHBondContact O-CG 3.42Å; K264-R268 PolarHBondContact O-N 2.83Å; K264-R268 VanDerWaalsContact O-N 3.16Å; K264-R268 PolarHBondContact O-NH1 2.94Å; K264-I283 HydrophobicContact CD-CD1 4.02Å; K264-I283 HydrophobicContact CG-CD1 4.08Å; K264-E348 HydrophobicContact CB-CB 3.8Å; K264-E348 HydrophobicContact CB-CG 3.93Å; K264-E348 HydrophobicContact CD-CB 4.21Å; K264-S351 PolarHBondContact NZ-OG 3.18Å
265V95.5Very high94.7Very high1 Ų140 Ų401%0.00620%0.202CC..Hα-helixtrans-67.9-52.1179170.70000109.7L233 T261 Q262 G263 R267 R268 T269 I283L233-V265 HydrophobicContact CD1-CB 4.14Å; L233-V265 HydrophobicContact CD1-CG1 4.12Å; L233-V265 HydrophobicContact CG-CG1 4.44Å; T261-V265 PolarHBondContact O-N 3.1Å; T261-V265 VanDerWaalsContact O-N 3.15Å; Q262-V265 WeakPolarHBondContact O-CB 3.5Å; Q262-V265 PolarHBondContact O-N 3.27Å; G263-V265 VanDerWaalsContact C-N 3.32Å; G263-V265 PolarHBondContact O-N 3.41Å; V265-R267 VanDerWaalsContact C-N 3.34Å; V265-R267 PolarHBondContact O-N 3.25Å; V265-R268 PolarHBondContact O-N 3.03Å; V265-T269 PolarHBondContact O-N 3.4Å; V265-T269 PolarHBondContact O-OG1 2.9Å; V265-T269 VanDerWaalsContact O-OG1 3.07Å; V265-I283 HydrophobicContact CB-CG2 4.23Å; V265-I283 HydrophobicContact CG1-CG2 4.37Å; V265-I283 HydrophobicContact CG2-CG1 4.49Å; V265-I283 HydrophobicContact CG2-CG2 3.98Å
266L95.3Very high94.3Very high10 Ų1047.1 Ų47.15%0.05224%0.24CC..Hα-helixtrans-58.5-43.2177.1-72.2-171.7000112.7V50 L233 Y242 I244 Q262 G263 R268 T269 L270V50-L266 HydrophobicContact CG1-CD1 3.8Å; L233-L266 HydrophobicContact CB-CD2 3.63Å; L233-L266 HydrophobicContact CB-CG 4.25Å; L233-L266 HydrophobicContact CD1-CD2 4.14Å; L233-L266 HydrophobicContact CD1-CG 3.88Å; Y242-L266 HydrophobicContact CD1-CD2 3.71Å; Y242-L266 HydrophobicContact CG-CD2 4.07Å; I244-L266 HydrophobicContact CB-CD1 3.81Å; I244-L266 HydrophobicContact CD1-CD1 4.22Å; I244-L266 HydrophobicContact CG1-CD1 4.49Å; I244-L266 HydrophobicContact CG2-CD1 4.24Å; Q262-L266 PolarHBondContact O-N 3.12Å; G263-L266 PolarHBondContact O-N 2.91Å; L266-R268 PolarHBondContact O-N 3.14Å; L266-T269 PolarHBondContact O-N 3.36Å; L266-L270 HydrophobicContact CB-CD1 4.47Å; L266-L270 VanDerWaalsContact O-CB 3.31Å; L266-L270 WeakPolarHBondContact O-CB 3.09Å; L266-L270 WeakPolarHBondContact O-CG 3.31Å; L266-L270 PolarHBondContact O-N 3.02Å
267R93.2Very high93.8Very high126 Ų12648.9 Ų48.948%0.47524%0.244SC..Hα-helixtrans-59.3-45.5177.2-179.4-178.3175.1177.14.1111.9G263 V265 T269 L271 G345 E348G263-R267 VanDerWaalsContact O-CB 3.27Å; G263-R267 WeakPolarHBondContact O-CB 3.43Å; G263-R267 PolarHBondContact O-N 3.36Å; V265-R267 VanDerWaalsContact C-N 3.34Å; V265-R267 PolarHBondContact O-N 3.25Å; R267-T269 VanDerWaalsContact C-N 3.3Å; R267-T269 PolarHBondContact O-N 3.48Å; R267-L271 WeakPolarHBondContact O-CB 3.44Å; R267-L271 PolarHBondContact O-N 3.45Å; R267-G345 PolarHBondContact NH1-O 2.97Å; R267-E348 IonicContact NH1-OE1 2.82Å
268R92.5Very high92.9Very high97 Ų9753.6 Ų53.637%0.36627%0.273SS..Hα-helixtrans-71-26.3-180-77.5167.1176.475.9-2.1112.8K264 V265 L266 P272 I283 E348K264-R268 WeakPolarHBondContact O-CB 3.26Å; K264-R268 WeakPolarHBondContact O-CG 3.42Å; K264-R268 PolarHBondContact O-N 2.83Å; K264-R268 VanDerWaalsContact O-N 3.16Å; K264-R268 PolarHBondContact O-NH1 2.94Å; V265-R268 PolarHBondContact O-N 3.03Å; L266-R268 PolarHBondContact O-N 3.14Å; R268-P272 WeakPolarHBondContact O-CD 3.25Å; R268-P272 WeakPolarHBondContact O-CG 3.48Å; R268-I283 HydrophobicContact CB-CG2 3.67Å; R268-I283 HydrophobicContact CG-CG2 4.25Å; R268-E348 IonicContact CZ-OE1 3.28Å; R268-E348 IonicContact CZ-OE2 2.82Å; R268-E348 IonicContact NH1-OE1 3.84Å; R268-E348 PolarHBondContact NH1-OE1 2.99Å; R268-E348 IonicContact NH1-OE2 2.7Å; R268-E348 PolarHBondContact NH1-OE2 3.44Å; R268-E348 IonicContact NH2-OE1 2.65Å; R268-E348 IonicContact NH2-OE2 3.75Å; R268-E348 PolarHBondContact NH2-OE2 3.12Å
269T91.3Very high91.4Very high15 Ų1557.2 Ų57.29%0.09230%0.298CS..Hα-helixtrans-79.3-48.1174.5-60.40000111.9Y242 V265 L266 R267 I273Y242-T269 HydrophobicContact CE1-CG2 4Å; V265-T269 PolarHBondContact O-N 3.4Å; V265-T269 PolarHBondContact O-OG1 2.9Å; V265-T269 VanDerWaalsContact O-OG1 3.07Å; L266-T269 PolarHBondContact O-N 3.36Å; R267-T269 VanDerWaalsContact C-N 3.3Å; R267-T269 PolarHBondContact O-N 3.48Å; T269-I273 HydrophobicContact CG2-CD1 4.41Å; T269-I273 VanDerWaalsContact O-CD1 3.25Å; T269-I273 WeakPolarHBondContact O-CD1 3.45Å; T269-I273 WeakPolarHBondContact O-CG1 3.38Å
270L93Very high89.4Confident22 Ų2257.6 Ų57.612%0.11531%0.312CS..Hα-helixtrans-82.2-37.3-171.4-72.7171.5000113.6H48 V50 Y242 L266 I273 L274H48-L270 HydrophobicContact CB-CD2 4.43Å; V50-L270 HydrophobicContact CG2-CD1 3.78Å; Y242-L270 HydrophobicContact CD2-CD2 3.92Å; Y242-L270 HydrophobicContact CE1-CD2 4.21Å; Y242-L270 HydrophobicContact CE2-CD2 3.4Å; Y242-L270 VanDerWaalsContact CE2-CD2 3.4Å; Y242-L270 HydrophobicContact CE2-CG 4.42Å; L266-L270 HydrophobicContact CB-CD1 4.47Å; L266-L270 VanDerWaalsContact O-CB 3.31Å; L266-L270 WeakPolarHBondContact O-CB 3.09Å; L266-L270 WeakPolarHBondContact O-CG 3.31Å; L266-L270 PolarHBondContact O-N 3.02Å; L270-I273 WeakPolarHBondContact O-CB 3.27Å; L270-I273 PolarHBondContact O-N 3.41Å; L270-I273 VanDerWaalsContact O-N 3.15Å; L270-L274 WeakPolarHBondContact O-CG 3.3Å; L270-L274 PolarHBondContact O-N 3.28Å
271L92.1Very high87.6Confident74 Ų7463.3 Ų63.339%0.38735%0.352SS..Hα-helixtrans-60.8-44-174.2-177.563.9000113.1R267 I273 Q275R267-L271 WeakPolarHBondContact O-CB 3.44Å; R267-L271 PolarHBondContact O-N 3.45Å; L271-I273 VanDerWaalsContact C-N 3.34Å; L271-I273 PolarHBondContact O-N 2.83Å; L271-Q275 HydrophobicContact CD1-CG 4.29Å; L271-Q275 WeakPolarHBondContact O-CB 3.45Å; L271-Q275 VanDerWaalsContact O-CG 3.28Å; L271-Q275 WeakPolarHBondContact O-CG 3.35Å; L271-Q275 PolarHBondContact O-N 3.44Å; L271-Q275 VanDerWaalsContact O-N 3.13Å
272P91.5Very high86.4Confident27 Ų2766 Ų6618%0.17537%0.368CS..Hα-helixtrans-62-40.7174.2-2335.1000112.8R268 Q275 N276 K277R268-P272 WeakPolarHBondContact O-CD 3.25Å; R268-P272 WeakPolarHBondContact O-CG 3.48Å; P272-Q275 CarbonylContact O-C 3.42Å; P272-Q275 PolarHBondContact O-N 3.07Å; P272-Q275 VanDerWaalsContact O-N 3.15Å; P272-N276 PolarHBondContact O-N 2.87Å; P272-K277 HydrophobicContact CB-CB 4.26Å; P272-K277 PolarHBondContact O-N 3.39Å
273I90.7Very high86Confident47 Ų4768.1 Ų68.124%0.24138%0.379CS..Hα-helixtrans-60.4-51.1178.8-62.5170.7000110.2H48 T269 L270 L271 Q275 N276H48-I273 WeakPolarHBondContact NE2-CG2 3.33Å; T269-I273 HydrophobicContact CG2-CD1 4.41Å; T269-I273 VanDerWaalsContact O-CD1 3.25Å; T269-I273 WeakPolarHBondContact O-CD1 3.45Å; T269-I273 WeakPolarHBondContact O-CG1 3.38Å; L270-I273 WeakPolarHBondContact O-CB 3.27Å; L270-I273 PolarHBondContact O-N 3.41Å; L270-I273 VanDerWaalsContact O-N 3.15Å; L271-I273 VanDerWaalsContact C-N 3.34Å; L271-I273 PolarHBondContact O-N 2.83Å; I273-Q275 PolarHBondContact O-N 2.81Å; I273-N276 PolarHBondContact O-N 2.7Å
274L90Very high85.9Confident102 Ų10273.8 Ų73.853%0.53440%0.397SS..Hα-helixtrans-63.9-21.1178.4-66.2173.7000113.2L270L270-L274 WeakPolarHBondContact O-CG 3.3Å; L270-L274 PolarHBondContact O-N 3.28Å
275Q91.9Very high86Confident95 Ų9572.7 Ų72.744%0.44439%0.392SS..THydrogen-bonded Turntrans-95.16.2175.9-69.8-177.1-7.500113.1L271 P272 I273 K277L271-Q275 HydrophobicContact CD1-CG 4.29Å; L271-Q275 WeakPolarHBondContact O-CB 3.45Å; L271-Q275 VanDerWaalsContact O-CG 3.28Å; L271-Q275 WeakPolarHBondContact O-CG 3.35Å; L271-Q275 PolarHBondContact O-N 3.44Å; L271-Q275 VanDerWaalsContact O-N 3.13Å; P272-Q275 CarbonylContact O-C 3.42Å; P272-Q275 PolarHBondContact O-N 3.07Å; P272-Q275 VanDerWaalsContact O-N 3.15Å; I273-Q275 PolarHBondContact O-N 2.81Å; Q275-K277 HydrophobicContact CB-CD 4.1Å; Q275-K277 HydrophobicContact CB-CG 4.06Å; Q275-K277 PolarHBondContact O-N 2.82Å; Q275-K277 VanDerWaalsContact O-N 3.12Å
276N89.5Confident86.1Confident159 Ų15975.9 Ų75.985%0.8541%0.409SS*.THydrogen-bonded Turntrans50.732-172-63.5-51.2000113.2P272 I273P272-N276 PolarHBondContact O-N 2.87Å; I273-N276 PolarHBondContact O-N 2.7Å
277K87.2Confident86.2Confident120 Ų12075.4 Ų75.452%0.52241%0.407SS..  trans-92.5153.2175.1-72.7178.9-177.7165.80109.6P272 Q275 S279P272-K277 HydrophobicContact CB-CB 4.26Å; P272-K277 PolarHBondContact O-N 3.39Å; Q275-K277 HydrophobicContact CB-CD 4.1Å; Q275-K277 HydrophobicContact CB-CG 4.06Å; Q275-K277 PolarHBondContact O-N 2.82Å; Q275-K277 VanDerWaalsContact O-N 3.12Å; K277-S279 PolarHBondContact O-N 2.82Å
278P78.3Confident86.4Confident119 Ų11969.9 Ų69.977%0.77339%0.386SS*.  trans-50.5130.5169.9-2231.7000108.9G280P278-G280 PolarHBondContact O-N 3.29Å
279S67.9Low86.7Confident79 Ų7965.2 Ų65.255%0.55237%0.368SS*.  trans-59.894170.6-66.30000107.6K277K277-S279 PolarHBondContact O-N 2.82Å
280G55.8Low87Confident45 Ų4565.1 Ų65.146%0.46437%0.368SS..  trans-59.5170.8174.500000110.5P278 T282P278-G280 PolarHBondContact O-N 3.29Å; G280-T282 PolarHBondContact O-N 3.19Å
281S58.1Low87.3Confident127 Ų12764.2 Ų64.289%0.88836%0.364SS*.SBendtrans-34.4106.7177.2176.20000111.6I283S281-I283 PolarHBondContact O-N 3.38Å; S281-I283 VanDerWaalsContact O-N 3.08Å
282T71.8Confident87.5Confident69 Ų6962.4 Ų62.442%0.42336%0.356SS..  trans-70.8108.3-179.738.60000107.6G280 K284G280-T282 PolarHBondContact O-N 3.19Å; T282-K284 PolarHBondContact O-N 3.37Å
283I89.2Confident87.8Confident48 Ų4861.1 Ų61.125%0.24635%0.348CS..PPolyproline II helixtrans-56.5133170.9-173.8170.5000108.4K264 V265 R268 S281K264-I283 HydrophobicContact CD-CD1 4.02Å; K264-I283 HydrophobicContact CG-CD1 4.08Å; V265-I283 HydrophobicContact CB-CG2 4.23Å; V265-I283 HydrophobicContact CG1-CG2 4.37Å; V265-I283 HydrophobicContact CG2-CG1 4.49Å; V265-I283 HydrophobicContact CG2-CG2 3.98Å; R268-I283 HydrophobicContact CB-CG2 3.67Å; R268-I283 HydrophobicContact CG-CG2 4.25Å; S281-I283 PolarHBondContact O-N 3.38Å; S281-I283 VanDerWaalsContact O-N 3.08Å
284K94.5Very high88.2Confident143 Ų14359.4 Ų59.462%0.62234%0.339SS*.PPolyproline II helixtrans-95.5132.9174.2-67.8-172.8179.4-1760109.6F231 T282 N286F231-K284 HydrophobicContact CB-CB 4.07Å; F231-K284 HydrophobicContact CB-CD 4.23Å; F231-K284 HydrophobicContact CB-CG 4.12Å; F231-K284 HydrophobicContact CD1-CB 4.33Å; F231-K284 HydrophobicContact CG-CD 4.5Å; F231-K284 WeakPolarHBondContact O-CA 3.32Å; T282-K284 PolarHBondContact O-N 3.37Å; K284-N286 PolarHBondContact O-N 3.48Å
285Y97.4Very high88.6Confident1 Ų154.5 Ų54.50%0.00431%0.313CS..PPolyproline II helixtrans-65.2129.6166.6-176.2-132.9000108.9P230 F231 L233 V250 T252 A258 T261 Q262 G287 Y288 Y307P230-Y285 WeakPolarHBondContact O-CD1 3.32Å; F231-Y285 VanDerWaalsContact CD1-O 3.28Å; F231-Y285 WeakPolarHBondContact CD1-O 3.25Å; F231-Y285 PolarHBondContact O-N 3.15Å; L233-Y285 HydrophobicContact CD2-CD1 4.45Å; V250-Y285 HydrophobicContact CG1-CD1 3.88Å; V250-Y285 HydrophobicContact CG1-CE1 3.55Å; T252-Y285 HydrophobicContact CG2-CE1 4.09Å; T252-Y285 WeakPolarHBondContact CG2-OH 3.29Å; A258-Y285 WeakPolarHBondContact CB-OH 3.2Å; T261-Y285 HydrophobicContact CG2-CD2 3.8Å; T261-Y285 HydrophobicContact CG2-CE2 3.86Å; Q262-Y285 HydrophobicContact CG-CD1 4.12Å; Q262-Y285 HydrophobicContact CG-CD2 4.29Å; Q262-Y285 HydrophobicContact CG-CE1 3.89Å; Q262-Y285 HydrophobicContact CG-CE2 4.03Å; Q262-Y285 HydrophobicContact CG-CG 4.33Å; Y285-G287 VanDerWaalsContact CE1-CA 3.43Å; Y285-G287 VanDerWaalsContact CZ-CA 3.42Å; Y285-G287 VanDerWaalsContact OH-C 3.23Å; Y285-G287 PolarHBondContact OH-O 3.33Å; Y285-Y288 PolarHBondContact OH-O 2.77Å; Y285-Y307 AromaticContact CD1-CZ 3.99Å; Y285-Y307 WeakPolarHBondContact CD1-OH 3.4Å; Y285-Y307 WeakPolarHBondContact O-CE2 3.44Å
286N96.5Very high88.8Confident69 Ų6950.7 Ų50.737%0.36930%0.297SS..  trans-10118-178.667.1-12.6000112.7K284 Y288 G306 Y307K284-N286 PolarHBondContact O-N 3.48Å; N286-Y288 VanDerWaalsContact C-N 3.25Å; N286-Y288 PolarHBondContact O-N 2.87Å; N286-Y288 WeakPolarHBondContact OD1-CB 3.46Å; N286-Y288 PolarHBondContact OD1-N 3.07Å; N286-Y288 VanDerWaalsContact OD1-N 3.16Å; N286-G306 WeakPolarHBondContact O-CA 3.39Å; N286-Y307 VanDerWaalsContact C-CE2 3.49Å; N286-Y307 PolarHBondContact O-N 2.87Å
287G97.7Very high89.1Confident0 Ų043.2 Ų43.20%026%0.257CS..  trans77.74.9-177.700000114.6T252 Y285 T289 Y307T252-G287 WeakPolarHBondContact CB-O 3.22Å; T252-G287 PolarHBondContact OG1-O 3.09Å; Y285-G287 VanDerWaalsContact CE1-CA 3.43Å; Y285-G287 VanDerWaalsContact CZ-CA 3.42Å; Y285-G287 VanDerWaalsContact OH-C 3.23Å; Y285-G287 PolarHBondContact OH-O 3.33Å; G287-T289 PolarHBondContact O-N 2.9Å; G287-Y307 VanDerWaalsContact CA-CE1 3.47Å; G287-Y307 VanDerWaalsContact CA-CZ 3.47Å
288Y98.2Very high89.6Confident9 Ų942 Ų424%0.03525%0.253CS..  trans-51.1122.9-175.5170.8-90.7000112.6A257 A258 T261 Y285 N286 E304 F305 I312 P350A257-Y288 HydrophobicContact CB-CE1 4.2Å; A258-Y288 WeakPolarHBondContact CA-O 3.38Å; T261-Y288 WeakPolarHBondContact OG1-CD1 3.47Å; Y285-Y288 PolarHBondContact OH-O 2.77Å; N286-Y288 VanDerWaalsContact C-N 3.25Å; N286-Y288 PolarHBondContact O-N 2.87Å; N286-Y288 WeakPolarHBondContact OD1-CB 3.46Å; N286-Y288 PolarHBondContact OD1-N 3.07Å; N286-Y288 VanDerWaalsContact OD1-N 3.16Å; Y288-E304 HydrophobicContact CE2-CB 4.25Å; Y288-E304 HydrophobicContact CE2-CG 4.35Å; Y288-E304 VanDerWaalsContact CE2-OE1 3.3Å; Y288-E304 WeakPolarHBondContact CE2-OE1 2.69Å; Y288-E304 PolarHBondContact OH-OE1 3.05Å; Y288-F305 CarbonylContact C-O 3.56Å; Y288-F305 VanDerWaalsContact CA-O 3.32Å; Y288-F305 WeakPolarHBondContact CA-O 3.32Å; Y288-I312 HydrophobicContact CD2-CB 4.49Å; Y288-P350 HydrophobicContact CE1-CG 4.05Å; Y288-P350 HydrophobicContact CE2-CG 4.12Å; Y288-P350 VanDerWaalsContact CZ-CG 3.48Å; Y288-P350 WeakPolarHBondContact OH-CD 3.35Å; Y288-P350 WeakPolarHBondContact OH-CG 3.36Å
289T98.3Very high90.5Very high0 Ų036.9 Ų36.90%022%0.22CC..EExtended strand (participates in β ladder)trans-140.3163.5173.5-166.20000109.1T252 S253 T255 G287 E304 F305T252-T289 WeakPolarHBondContact OG1-CG2 3.49Å; S253-T289 PolarHBondContact O-OG1 3.16Å; T255-T289 WeakPolarHBondContact CG2-OG1 3.47Å; T255-T289 PolarHBondContact OG1-OG1 3.36Å; G287-T289 PolarHBondContact O-N 2.9Å; T289-E304 WeakPolarHBondContact O-CA 3.37Å; T289-F305 HydrophobicContact CG2-CD1 4.28Å; T289-F305 HydrophobicContact CG2-CD2 3.59Å; T289-F305 HydrophobicContact CG2-CE1 3.96Å; T289-F305 HydrophobicContact CG2-CE2 3.23Å; T289-F305 HydrophobicContact CG2-CG 4.12Å; T289-F305 HydrophobicContact CG2-CZ 3.43Å; T289-F305 VanDerWaalsContact CG2-CZ 3.43Å; T289-F305 PolarHBondContact N-O 3.46Å; T289-F305 PolarHBondContact O-N 2.74Å
290S97.9Very high91.9Very high13 Ų1333.1 Ų33.19%0.09119%0.194CC..EExtended strand (participates in β ladder)trans-141.1141.7176.7-178.70000111.1T255 A257 A303 E304T255-S290 WeakPolarHBondContact CG2-O 3.45Å; T255-S290 PolarHBondContact OG1-O 3.35Å; A257-S290 VanDerWaalsContact CB-CB 3.49Å; S290-A303 CarbonylContact C-O 3.5Å; S290-A303 WeakPolarHBondContact CA-O 3.47Å; S290-A303 PolarHBondContact OG-O 3.15Å; S290-E304 WeakPolarHBondContact OG-CG 3.43Å
291C97.9Very high94Very high3 Ų331 Ų312%0.0217%0.172CC..EExtended strand (participates in β ladder)trans-130.598.1174.2-163.70000109.7K115 F145 L293 A303K115-C291 VanDerWaalsContact CE-SG 3.53Å; K115-C291 PolarHBondContact NZ-SG 2.73Å; F145-C291 HydrophobicContact CE2-CB 4.14Å; F145-C291 HydrophobicContact CZ-CB 3.83Å; C291-L293 PolarHBondContact O-N 3.07Å; C291-A303 HydrophobicContact CB-CB 4.35Å; C291-A303 PolarHBondContact N-O 3.03Å; C291-A303 PolarHBondContact O-N 3.48Å; C291-A303 VanDerWaalsContact O-N 3.14Å
292P97.6Very high95.9Very high35 Ų3525.5 Ų25.523%0.22713%0.132CC..EExtended strand (participates in β ladder)trans-68100.516923.8-31.1000109.1K115 F294 V300 M302 A330K115-P292 VanDerWaalsContact CD-O 3.27Å; K115-P292 WeakPolarHBondContact CD-O 3.49Å; K115-P292 WeakPolarHBondContact CE-O 3.13Å; K115-P292 PolarHBondContact NZ-O 3.05Å; P292-F294 PolarHBondContact O-N 3.02Å; P292-V300 HydrophobicContact CB-CG1 3.92Å; P292-M302 HydrophobicContact CB-CE 3.95Å; P292-M302 HydrophobicContact CB-SD 3.59Å; P292-M302 VanDerWaalsContact CB-SD 3.59Å; P292-M302 HydrophobicContact CG-SD 4.32Å; P292-A330 HydrophobicContact CB-CB 3.58Å; P292-A330 HydrophobicContact CG-CB 4.25Å
293L98.2Very high97.1Very high0 Ų022.2 Ų22.20%011%0.112CC..EExtended strand (participates in β ladder)trans-83.893.1178.6-63.5137.7000108.6Q114 K115 F145 L154 C291 T295 V300 V301 A303Q114-L293 HydrophobicContact CG-CD2 4.21Å; K115-L293 HydrophobicContact CG-CD2 4.49Å; F145-L293 HydrophobicContact CD2-CD2 4.18Å; F145-L293 HydrophobicContact CE2-CD1 4.2Å; F145-L293 HydrophobicContact CE2-CD2 4.03Å; F145-L293 HydrophobicContact CZ-CD1 4.31Å; L154-L293 HydrophobicContact CD1-CD1 3.7Å; L154-L293 HydrophobicContact CD1-CD2 4.02Å; L154-L293 HydrophobicContact CD1-CG 4.42Å; L154-L293 HydrophobicContact CD2-CB 4.07Å; L154-L293 HydrophobicContact CD2-CD1 4.04Å; L154-L293 HydrophobicContact CD2-CD2 4.18Å; L154-L293 HydrophobicContact CD2-CG 4.3Å; L154-L293 HydrophobicContact CG-CD1 4.34Å; C291-L293 PolarHBondContact O-N 3.07Å; L293-T295 PolarHBondContact O-N 3.45Å; L293-V300 VanDerWaalsContact O-CA 3.27Å; L293-V300 WeakPolarHBondContact O-CA 3.47Å; L293-V301 HydrophobicContact CB-CB 4.29Å; L293-V301 VanDerWaalsContact CB-O 3.31Å; L293-V301 WeakPolarHBondContact CB-O 3.11Å; L293-V301 HydrophobicContact CD1-CB 4.48Å; L293-V301 HydrophobicContact CD1-CG1 4.34Å; L293-V301 PolarHBondContact N-O 3.24Å; L293-V301 PolarHBondContact O-N 2.81Å; L293-A303 HydrophobicContact CD1-CB 3.85Å
294F98Very high97.6Very high11 Ų1120.2 Ų20.25%0.04810%0.102CC..EExtended strand (participates in β ladder)trans-58.9103.2169.2-61.4-71.7000109.5T3 L4 K115 L119 P292 V300 F327 A330 A331T3-F294 HydrophobicContact CG2-CD2 4.26Å; L4-F294 HydrophobicContact CD1-CZ 4.24Å; L4-F294 HydrophobicContact CD2-CD1 4.02Å; L4-F294 HydrophobicContact CD2-CD2 4.15Å; L4-F294 HydrophobicContact CD2-CE1 3.85Å; L4-F294 HydrophobicContact CD2-CE2 3.99Å; L4-F294 HydrophobicContact CD2-CG 4.19Å; L4-F294 HydrophobicContact CD2-CZ 3.83Å; L4-F294 HydrophobicContact CG-CE2 4.28Å; L4-F294 HydrophobicContact CG-CZ 4.24Å; K115-F294 HydrophobicContact CB-CB 4.41Å; K115-F294 HydrophobicContact CD-CD2 3.93Å; K115-F294 HydrophobicContact CG-CB 4.35Å; L119-F294 HydrophobicContact CD1-CB 4.43Å; L119-F294 HydrophobicContact CD2-CB 4.34Å; L119-F294 HydrophobicContact CG-CB 4.48Å; P292-F294 PolarHBondContact O-N 3.02Å; F294-V300 HydrophobicContact CD1-CG2 3.3Å; F294-V300 HydrophobicContact CE1-CG2 3.55Å; F294-V300 HydrophobicContact CG-CG2 4.08Å; F294-V300 HydrophobicContact CZ-CG2 4.5Å; F294-F327 AromaticContact CD1-CD2 3.75Å; F294-F327 HydrophobicContact CD1-CD2 3.75Å; F294-F327 AromaticContact CD1-CE2 3.84Å; F294-F327 HydrophobicContact CD1-CE2 3.84Å; F294-F327 AromaticContact CE1-CD2 3.99Å; F294-F327 HydrophobicContact CE1-CD2 3.99Å; F294-F327 HydrophobicContact CE1-CE2 4.04Å; F294-A330 HydrophobicContact CE1-CB 3.81Å; F294-A330 HydrophobicContact CZ-CB 3.72Å; F294-A331 HydrophobicContact CE1-CB 3.96Å; F294-A331 HydrophobicContact CZ-CB 4.41Å
295T97.9Very high97.7Very high0 Ų013.7 Ų13.70%07%0.074CC..EExtended strand (participates in β ladder)trans-94.1-15.8175.452.10000110.7Y118 L154 I157 R161 L293 S299 V301 E322Y118-T295 WeakPolarHBondContact CB-O 3.2Å; Y118-T295 HydrophobicContact CD2-CG2 4.16Å; Y118-T295 HydrophobicContact CE2-CG2 4.24Å; L154-T295 HydrophobicContact CD2-CG2 4.29Å; I157-T295 HydrophobicContact CD1-CG2 3.87Å; I157-T295 HydrophobicContact CG2-CG2 4.46Å; R161-T295 PolarHBondContact NH1-O 3.31Å; L293-T295 PolarHBondContact O-N 3.45Å; T295-S299 PolarHBondContact N-O 3.03Å; T295-S299 VanDerWaalsContact N-O 3.14Å; T295-S299 PolarHBondContact OG1-O 3.41Å; T295-S299 PolarHBondContact OG1-OG 3.44Å; T295-V301 HydrophobicContact CG2-CG2 4.06Å; T295-E322 WeakPolarHBondContact CB-OE1 3.37Å; T295-E322 HydrophobicContact CG2-CG 4.48Å; T295-E322 PolarHBondContact OG1-OE1 3.15Å
296S97Very high97.7Very high14 Ų1413.8 Ų13.810%0.0988%0.075CC..EExtended strand (participates in β ladder)trans-156176.5165.276.60000110.2L119 H298 S299L119-S296 VanDerWaalsContact CD2-C 3.44Å; S296-H298 PolarHBondContact O-N 3.11Å; S296-H298 PolarHBondContact OG-N 2.8Å; S296-S299 WeakPolarHBondContact CB-OG 3.22Å; S296-S299 PolarHBondContact N-O 2.77Å; S296-S299 PolarHBondContact N-OG 3.34Å; S296-S299 PolarHBondContact O-N 2.98Å; S296-S299 PolarHBondContact OG-N 3.43Å; S296-S299 PolarHBondContact OG-OG 2.65Å
297P96.2Very high97.7Very high3 Ų311.8 Ų11.82%0.0196%0.062CC..THydrogen-bonded Turntrans-63-1.3168.1-29.341000115.8L9 L119 W122 F327L9-P297 HydrophobicContact CD1-CB 3.84Å; L9-P297 HydrophobicContact CD1-CG 4.22Å; L9-P297 HydrophobicContact CD2-CB 3.8Å; L9-P297 HydrophobicContact CD2-CG 4.31Å; L9-P297 HydrophobicContact CG-CB 4.44Å; L119-P297 HydrophobicContact CD2-CG 4.05Å; W122-P297 HydrophobicContact CB-CG 4.42Å; W122-P297 HydrophobicContact CD2-CB 4.48Å; W122-P297 VanDerWaalsContact CD2-CD 3.48Å; W122-P297 HydrophobicContact CD2-CG 3.37Å; W122-P297 HydrophobicContact CE3-CG 3.44Å; W122-P297 VanDerWaalsContact CE3-CG 3.44Å; W122-P297 HydrophobicContact CG-CG 3.83Å; W122-P297 HydrophobicContact CH2-CB 4.38Å; W122-P297 HydrophobicContact CH2-CG 3.97Å; W122-P297 HydrophobicContact CZ2-CB 4.3Å; W122-P297 HydrophobicContact CZ2-CG 3.97Å; W122-P297 HydrophobicContact CZ3-CG 3.74Å; P297-F327 WeakPolarHBondContact O-CE1 3.28Å; P297-F327 WeakPolarHBondContact O-CE2 3.37Å; P297-F327 WeakPolarHBondContact O-CZ 3.43Å
298H96.9Very high97.6Very high93 Ų9320 Ų2043%0.43111%0.106SC..THydrogen-bonded Turntrans-137.12.6-178-51.2-44.7000113W122 S296 R324W122-H298 AromaticContact CZ2-NE2 3.97Å; S296-H298 PolarHBondContact O-N 3.11Å; S296-H298 PolarHBondContact OG-N 2.8Å; H298-R324 WeakPolarHBondContact O-CA 3.48Å; H298-R324 VanDerWaalsContact O-CB 3.29Å; H298-R324 WeakPolarHBondContact O-CB 3.42Å; H298-R324 WeakPolarHBondContact O-CG 3.25Å
299S97.7Very high97.4Very high12 Ų1220.8 Ų20.88%0.08412%0.117CC..EExtended strand (participates in β ladder)trans-141.2145.9-178.258.50000112.6T295 S296 E322T295-S299 PolarHBondContact N-O 3.03Å; T295-S299 VanDerWaalsContact N-O 3.14Å; T295-S299 PolarHBondContact OG1-O 3.41Å; T295-S299 PolarHBondContact OG1-OG 3.44Å; S296-S299 WeakPolarHBondContact CB-OG 3.22Å; S296-S299 PolarHBondContact N-O 2.77Å; S296-S299 PolarHBondContact N-OG 3.34Å; S296-S299 PolarHBondContact O-N 2.98Å; S296-S299 PolarHBondContact OG-N 3.43Å; S296-S299 PolarHBondContact OG-OG 2.65Å; S299-E322 PolarHBondContact OG-OE1 3.2Å
300V98.1Very high97.3Very high0 Ų026.3 Ų26.30%014%0.141CC..EExtended strand (participates in β ladder)trans-134.6137.1174.3164.80000109.3P292 L293 F294 M302 R323 L326 F327 A330P292-V300 HydrophobicContact CB-CG1 3.92Å; L293-V300 VanDerWaalsContact O-CA 3.27Å; L293-V300 WeakPolarHBondContact O-CA 3.47Å; F294-V300 HydrophobicContact CD1-CG2 3.3Å; F294-V300 HydrophobicContact CE1-CG2 3.55Å; F294-V300 HydrophobicContact CG-CG2 4.08Å; F294-V300 HydrophobicContact CZ-CG2 4.5Å; V300-M302 HydrophobicContact CG1-CB 4.14Å; V300-M302 HydrophobicContact CG1-CE 4.2Å; V300-R323 PolarHBondContact N-O 2.92Å; V300-R323 PolarHBondContact O-N 3.35Å; V300-L326 HydrophobicContact CB-CB 4.14Å; V300-L326 HydrophobicContact CG1-CB 4.25Å; V300-F327 HydrophobicContact CG2-CB 4.06Å; V300-F327 HydrophobicContact CG2-CD2 4.17Å; V300-A330 HydrophobicContact CG2-CB 4.23Å
301V98.4Very high97.3Very high0 Ų028.7 Ų28.70%015%0.152CC..EExtended strand (participates in β ladder)trans-90.4115.7154.9175.80000107Y150 T153 I157 L293 T295 A303 E322Y150-V301 HydrophobicContact CD1-CG1 4.23Å; T153-V301 HydrophobicContact CG2-CG2 4.35Å; I157-V301 HydrophobicContact CD1-CG2 4.02Å; L293-V301 HydrophobicContact CB-CB 4.29Å; L293-V301 VanDerWaalsContact CB-O 3.31Å; L293-V301 WeakPolarHBondContact CB-O 3.11Å; L293-V301 HydrophobicContact CD1-CB 4.48Å; L293-V301 HydrophobicContact CD1-CG1 4.34Å; L293-V301 PolarHBondContact N-O 3.24Å; L293-V301 PolarHBondContact O-N 2.81Å; T295-V301 HydrophobicContact CG2-CG2 4.06Å; V301-A303 PolarHBondContact O-N 3.43Å; V301-E322 HydrophobicContact CG2-CG 4.12Å
302M97.9Very high97.2Very high13 Ų1329.1 Ų29.16%0.06415%0.154CC..EExtended strand (participates in β ladder)trans-97.693.2-175-174.878.670.600109.9P292 V300 E304 Q319 L326 A330P292-M302 HydrophobicContact CB-CE 3.95Å; P292-M302 HydrophobicContact CB-SD 3.59Å; P292-M302 VanDerWaalsContact CB-SD 3.59Å; P292-M302 HydrophobicContact CG-SD 4.32Å; V300-M302 HydrophobicContact CG1-CB 4.14Å; V300-M302 HydrophobicContact CG1-CE 4.2Å; M302-E304 HydrophobicContact CG-CG 4.21Å; M302-E304 PolarHBondContact O-N 3.06Å; M302-Q319 HydrophobicContact CB-CB 4.16Å; M302-Q319 PolarHBondContact N-O 3.18Å; M302-Q319 VanDerWaalsContact N-O 3.09Å; M302-Q319 VanDerWaalsContact O-CB 3.3Å; M302-Q319 WeakPolarHBondContact O-CB 3.48Å; M302-Q319 PolarHBondContact O-NE2 2.97Å; M302-L326 HydrophobicContact CB-CD1 3.67Å; M302-L326 HydrophobicContact CB-CG 4.47Å; M302-L326 HydrophobicContact CE-CB 4.35Å; M302-A330 HydrophobicContact CE-CB 4Å
303A98.2Very high97.1Very high0 Ų028.1 Ų28.10%015%0.146CC..EExtended strand (participates in β ladder)trans-74.9122176.500000110.6F145 Y150 S290 C291 L293 V301 F305F145-A303 HydrophobicContact CE1-CB 3.72Å; F145-A303 HydrophobicContact CZ-CB 3.82Å; Y150-A303 HydrophobicContact CD1-CB 3.96Å; Y150-A303 HydrophobicContact CD2-CB 3.48Å; Y150-A303 VanDerWaalsContact CD2-CB 3.48Å; Y150-A303 HydrophobicContact CE1-CB 4.11Å; Y150-A303 HydrophobicContact CE2-CB 3.65Å; Y150-A303 HydrophobicContact CG-CB 3.65Å; Y150-A303 VanDerWaalsContact CZ-CA 3.5Å; S290-A303 CarbonylContact C-O 3.5Å; S290-A303 WeakPolarHBondContact CA-O 3.47Å; S290-A303 PolarHBondContact OG-O 3.15Å; C291-A303 HydrophobicContact CB-CB 4.35Å; C291-A303 PolarHBondContact N-O 3.03Å; C291-A303 PolarHBondContact O-N 3.48Å; C291-A303 VanDerWaalsContact O-N 3.14Å; L293-A303 HydrophobicContact CD1-CB 3.85Å; V301-A303 PolarHBondContact O-N 3.43Å; A303-F305 HydrophobicContact CB-CD1 4.41Å; A303-F305 HydrophobicContact CB-CE1 4.24Å
304E98.2Very high97Very high5 Ų528.4 Ų28.42%0.02315%0.148CC..EExtended strand (participates in β ladder)trans-131.3129172.2-67.9-173.290.100110.4Y150 Y288 T289 S290 M302 I312 T314 Q319 R354Y150-E304 PolarHBondContact OH-N 2.88Å; Y150-E304 PolarHBondContact OH-O 3.36Å; Y288-E304 HydrophobicContact CE2-CB 4.25Å; Y288-E304 HydrophobicContact CE2-CG 4.35Å; Y288-E304 VanDerWaalsContact CE2-OE1 3.3Å; Y288-E304 WeakPolarHBondContact CE2-OE1 2.69Å; Y288-E304 PolarHBondContact OH-OE1 3.05Å; T289-E304 WeakPolarHBondContact O-CA 3.37Å; S290-E304 WeakPolarHBondContact OG-CG 3.43Å; M302-E304 HydrophobicContact CG-CG 4.21Å; M302-E304 PolarHBondContact O-N 3.06Å; E304-I312 WeakPolarHBondContact CB-O 3.31Å; E304-I312 PolarHBondContact O-N 2.76Å; E304-T314 VanDerWaalsContact CD-OG1 3.29Å; E304-T314 PolarHBondContact OE1-OG1 3.32Å; E304-T314 VanDerWaalsContact OE2-CB 3.29Å; E304-T314 WeakPolarHBondContact OE2-CB 3.3Å; E304-T314 PolarHBondContact OE2-N 3.47Å; E304-T314 PolarHBondContact OE2-OG1 3.33Å; E304-T314 VanDerWaalsContact OE2-OG1 3.12Å; E304-Q319 PolarHBondContact OE2-NE2 2.78Å; E304-Q319 PolarHBondContact OE2-OE1 3.23Å; E304-Q319 VanDerWaalsContact OE2-OE1 3.12Å; E304-R354 IonicContact OE1-NH2 3.33Å
305F97.6Very high96.9Very high7 Ų730 Ų303%0.03116%0.155CC..EExtended strand (participates in β ladder)trans-157.8162.2-174.253-85.6000111.8F145 V147 Y150 S253 Y288 T289 A303 K310F145-F305 HydrophobicContact CE1-CD1 4.49Å; F145-F305 AromaticContact CE1-CE1 3.66Å; F145-F305 HydrophobicContact CE1-CE1 3.66Å; F145-F305 HydrophobicContact CE1-CZ 4.16Å; F145-F305 AromaticContact CZ-CE1 3.82Å; F145-F305 HydrophobicContact CZ-CE1 3.82Å; F145-F305 HydrophobicContact CZ-CZ 4.2Å; V147-F305 HydrophobicContact CG2-CB 4.17Å; V147-F305 HydrophobicContact CG2-CD1 3.71Å; V147-F305 HydrophobicContact CG2-CD2 3.65Å; V147-F305 HydrophobicContact CG2-CE1 3.91Å; V147-F305 HydrophobicContact CG2-CE2 3.83Å; V147-F305 HydrophobicContact CG2-CG 3.58Å; V147-F305 HydrophobicContact CG2-CZ 3.95Å; Y150-F305 HydrophobicContact CE2-CD1 4.13Å; S253-F305 WeakPolarHBondContact OG-CZ 3.45Å; Y288-F305 CarbonylContact C-O 3.56Å; Y288-F305 VanDerWaalsContact CA-O 3.32Å; Y288-F305 WeakPolarHBondContact CA-O 3.32Å; T289-F305 HydrophobicContact CG2-CD1 4.28Å; T289-F305 HydrophobicContact CG2-CD2 3.59Å; T289-F305 HydrophobicContact CG2-CE1 3.96Å; T289-F305 HydrophobicContact CG2-CE2 3.23Å; T289-F305 HydrophobicContact CG2-CG 4.12Å; T289-F305 HydrophobicContact CG2-CZ 3.43Å; T289-F305 VanDerWaalsContact CG2-CZ 3.43Å; T289-F305 PolarHBondContact N-O 3.46Å; T289-F305 PolarHBondContact O-N 2.74Å; A303-F305 HydrophobicContact CB-CD1 4.41Å; A303-F305 HydrophobicContact CB-CE1 4.24Å; F305-K310 CarbonylContact C-O 3.57Å; F305-K310 WeakPolarHBondContact CA-O 3.21Å; F305-K310 WeakPolarHBondContact CB-O 3.41Å
306G97.4Very high96.6Very high3 Ų333.9 Ų33.93%0.03118%0.18CC..  trans-108.2-155.4174.200000112.4N286 G309 K310N286-G306 WeakPolarHBondContact O-CA 3.39Å; G306-G309 PolarHBondContact O-N 3.49Å; G306-K310 PolarHBondContact N-O 2.91Å
307Y97.2Very high96.5Very high27 Ų2736.5 Ų36.511%0.10619%0.19CC..G310 helixtrans-55.2150.3169.1-67.3-48.5000111.9P230 F231 V250 P251 Y285 N286 G287 G309 K310P230-Y307 WeakPolarHBondContact CB-OH 3.42Å; P230-Y307 PolarHBondContact O-OH 3.16Å; F231-Y307 HydrophobicContact CD1-CE2 4.09Å; F231-Y307 HydrophobicContact CE1-CD2 4.02Å; F231-Y307 AromaticContact CE1-CE2 3.84Å; F231-Y307 HydrophobicContact CE1-CE2 3.84Å; F231-Y307 HydrophobicContact CZ-CE2 4.46Å; V250-Y307 HydrophobicContact CG1-CE1 4.22Å; V250-Y307 VanDerWaalsContact CG1-OH 3.3Å; V250-Y307 WeakPolarHBondContact CG1-OH 3.38Å; P251-Y307 HydrophobicContact CG-CD1 4.07Å; P251-Y307 HydrophobicContact CG-CE1 3.68Å; P251-Y307 WeakPolarHBondContact O-CD1 3.15Å; Y285-Y307 AromaticContact CD1-CZ 3.99Å; Y285-Y307 WeakPolarHBondContact CD1-OH 3.4Å; Y285-Y307 WeakPolarHBondContact O-CE2 3.44Å; N286-Y307 VanDerWaalsContact C-CE2 3.49Å; N286-Y307 PolarHBondContact O-N 2.87Å; G287-Y307 VanDerWaalsContact CA-CE1 3.47Å; G287-Y307 VanDerWaalsContact CA-CZ 3.47Å; Y307-G309 PolarHBondContact O-N 2.96Å; Y307-K310 WeakPolarHBondContact O-CB 3.47Å; Y307-K310 PolarHBondContact O-N 3.19Å; Y307-K310 VanDerWaalsContact O-N 3.07Å
308D94.9Very high96.4Very high173 Ų17339.9 Ų39.993%0.92521%0.208SC*.G310 helixtrans57.120.7178.5-46.9-48.2000114.3K310D308-K310 PolarHBondContact O-N 3.07Å
309G94.6Very high96.4Very high25 Ų2535.5 Ų35.526%0.25819%0.187SC..G310 helixtrans71.214.4-178.400000114.4G306 Y307 I311G306-G309 PolarHBondContact O-N 3.49Å; Y307-G309 PolarHBondContact O-N 2.96Å; G309-I311 PolarHBondContact O-N 3.06Å
310K96.6Very high96.4Very high115 Ų11535.5 Ų35.550%0.519%0.187SC..  trans-54.3125.3173.6-179.2-178.9174.3-173.20109.2F305 G306 Y307 D308 I312 N363F305-K310 CarbonylContact C-O 3.57Å; F305-K310 WeakPolarHBondContact CA-O 3.21Å; F305-K310 WeakPolarHBondContact CB-O 3.41Å; G306-K310 PolarHBondContact N-O 2.91Å; Y307-K310 WeakPolarHBondContact O-CB 3.47Å; Y307-K310 PolarHBondContact O-N 3.19Å; Y307-K310 VanDerWaalsContact O-N 3.07Å; D308-K310 PolarHBondContact O-N 3.07Å; K310-I312 HydrophobicContact CG-CG1 4.4Å; K310-I312 WeakPolarHBondContact O-CG1 3.47Å; K310-I312 PolarHBondContact O-N 3.08Å; K310-N363 PolarHBondContact NZ-OXT 3.45Å
311I96.3Very high96.4Very high63 Ų6337.9 Ų37.932%0.32320%0.201SC..BIsolated β-bridgetrans-69.9128.9179.4-56.3-59.1000110.1V147 H149 Y150 G309 E313V147-I311 HydrophobicContact CG1-CD1 3.72Å; H149-I311 HydrophobicContact CB-CD1 3.98Å; Y150-I311 HydrophobicContact CD2-CD1 4.33Å; Y150-I311 HydrophobicContact CE2-CD1 3.51Å; G309-I311 PolarHBondContact O-N 3.06Å; I311-E313 HydrophobicContact CG2-CG 3.75Å
312I95.6Very high96.3Very high12 Ų1241.6 Ų41.66%0.06222%0.219CC..  trans-137.551-178.8-39-177.4000110.8Y288 E304 K310 R354Y288-I312 HydrophobicContact CD2-CB 4.49Å; E304-I312 WeakPolarHBondContact CB-O 3.31Å; E304-I312 PolarHBondContact O-N 2.76Å; K310-I312 HydrophobicContact CG-CG1 4.4Å; K310-I312 WeakPolarHBondContact O-CG1 3.47Å; K310-I312 PolarHBondContact O-N 3.08Å; I312-R354 VanDerWaalsContact CG2-NH1 3.26Å; I312-R354 VanDerWaalsContact O-CZ 3.3Å; I312-R354 PolarHBondContact O-NE 3.2Å; I312-R354 VanDerWaalsContact O-NE 3.13Å; I312-R354 PolarHBondContact O-NH2 3.5Å; I312-R354 VanDerWaalsContact O-NH2 3.13Å
313E96.1Very high96.3Very high15 Ų1544.6 Ų44.67%0.0723%0.229CC..  trans-58.5140.4177-70.9178.8158.400112.7Y150 I311 Q319 R354 R358Y150-E313 WeakPolarHBondContact OH-CG 3.43Å; I311-E313 HydrophobicContact CG2-CG 3.75Å; E313-Q319 HydrophobicContact CB-CG 4.07Å; E313-Q319 HydrophobicContact CG-CB 4.06Å; E313-Q319 HydrophobicContact CG-CG 3.86Å; E313-Q319 WeakPolarHBondContact OE1-CA 3.49Å; E313-Q319 VanDerWaalsContact OE1-CB 3.22Å; E313-Q319 WeakPolarHBondContact OE1-CB 3.14Å; E313-Q319 PolarHBondContact OE1-N 2.78Å; E313-Q319 VanDerWaalsContact OE1-N 3.08Å; E313-R354 WeakPolarHBondContact O-CD 3.44Å; E313-R354 PolarHBondContact O-NE 2.79Å; E313-R358 IonicContact OE2-NH1 3.78Å
314T95.9Very high96.3Very high5 Ų551.8 Ų51.83%0.03126%0.256CS..SBendtrans-80.8-40.2-178.3-66.40000112.2E304 Q319 P350 F353 R354 L357E304-T314 VanDerWaalsContact CD-OG1 3.29Å; E304-T314 PolarHBondContact OE1-OG1 3.32Å; E304-T314 VanDerWaalsContact OE2-CB 3.29Å; E304-T314 WeakPolarHBondContact OE2-CB 3.3Å; E304-T314 PolarHBondContact OE2-N 3.47Å; E304-T314 PolarHBondContact OE2-OG1 3.33Å; E304-T314 VanDerWaalsContact OE2-OG1 3.12Å; T314-Q319 VanDerWaalsContact N-OE1 3.08Å; T314-P350 HydrophobicContact CG2-CB 3.79Å; T314-P350 WeakPolarHBondContact OG1-CB 3.34Å; T314-P350 VanDerWaalsContact OG1-CG 3.29Å; T314-P350 WeakPolarHBondContact OG1-CG 3.25Å; T314-F353 HydrophobicContact CG2-CB 4.17Å; T314-R354 PolarHBondContact OG1-NH2 2.8Å; T314-L357 HydrophobicContact CG2-CD1 4.43Å
315F95.3Very high96.2Very high45 Ų4554.4 Ų54.420%0.19728%0.275CS..SBendtrans-88.4155.8-175.2-63.1-71.6000111.9F317 Q319 L326 I329 L357 R358F315-F317 HydrophobicContact CB-CD1 4.01Å; F315-F317 HydrophobicContact CB-CD2 4.08Å; F315-F317 HydrophobicContact CB-CE1 3.59Å; F315-F317 HydrophobicContact CB-CE2 3.66Å; F315-F317 HydrophobicContact CB-CG 4.24Å; F315-F317 HydrophobicContact CB-CZ 3.4Å; F315-F317 HydrophobicContact CD1-CE1 4.1Å; F315-F317 AromaticContact CD1-CZ 3.97Å; F315-F317 HydrophobicContact CD1-CZ 3.97Å; F315-F317 HydrophobicContact CD2-CE2 4.31Å; F315-F317 HydrophobicContact CD2-CZ 4.01Å; F315-F317 AromaticContact CG-CE1 3.94Å; F315-F317 HydrophobicContact CG-CE1 3.94Å; F315-F317 HydrophobicContact CG-CE2 4.07Å; F315-F317 AromaticContact CG-CZ 3.51Å; F315-F317 HydrophobicContact CG-CZ 3.51Å; F315-F317 PolarHBondContact O-N 3.37Å; F315-Q319 VanDerWaalsContact CD2-OE1 3.27Å; F315-L326 HydrophobicContact CD2-CD2 3.63Å; F315-L326 HydrophobicContact CE2-CD2 3.66Å; F315-I329 HydrophobicContact CE1-CD1 4.32Å; F315-I329 HydrophobicContact CE2-CD1 3.95Å; F315-I329 HydrophobicContact CZ-CD1 3.58Å; F315-L357 HydrophobicContact CD1-CD1 3.83Å; F315-L357 HydrophobicContact CE1-CD1 4.01Å; F315-R358 PolarHBondContact O-NH1 3.3Å; F315-R358 VanDerWaalsContact O-NH1 3.14Å
316P93Very high96.2Very high82 Ų8254.1 Ų54.153%0.53227%0.274SS..SBendtrans-81.55.3-178.633.4-34.4000113.5R358P316-R358 HydrophobicContact CB-CG 4.28Å
317F93.8Very high96.2Very high69 Ų6954.5 Ų54.530%0.30328%0.275SS..SBendtrans-114.9154.7176.851.7-105.2000110.1F315 Q319 L326F315-F317 HydrophobicContact CB-CD1 4.01Å; F315-F317 HydrophobicContact CB-CD2 4.08Å; F315-F317 HydrophobicContact CB-CE1 3.59Å; F315-F317 HydrophobicContact CB-CE2 3.66Å; F315-F317 HydrophobicContact CB-CG 4.24Å; F315-F317 HydrophobicContact CB-CZ 3.4Å; F315-F317 HydrophobicContact CD1-CE1 4.1Å; F315-F317 AromaticContact CD1-CZ 3.97Å; F315-F317 HydrophobicContact CD1-CZ 3.97Å; F315-F317 HydrophobicContact CD2-CE2 4.31Å; F315-F317 HydrophobicContact CD2-CZ 4.01Å; F315-F317 AromaticContact CG-CE1 3.94Å; F315-F317 HydrophobicContact CG-CE1 3.94Å; F315-F317 HydrophobicContact CG-CE2 4.07Å; F315-F317 AromaticContact CG-CZ 3.51Å; F315-F317 HydrophobicContact CG-CZ 3.51Å; F315-F317 PolarHBondContact O-N 3.37Å; F317-Q319 WeakPolarHBondContact O-CG 3.28Å; F317-Q319 PolarHBondContact O-N 3.14Å; F317-Q319 VanDerWaalsContact O-N 3.14Å; F317-L326 HydrophobicContact CE2-CD1 4.2Å; F317-L326 HydrophobicContact CE2-CD2 3.97Å; F317-L326 HydrophobicContact CE2-CG 4.2Å; F317-L326 HydrophobicContact CZ-CD2 4.14Å
318D94.4Very high96.2Very high74 Ų7458.3 Ų58.340%0.39629%0.29SS..  trans-57.4114.3179.3178.510.1000111.5N320 T321 R323D318-N320 VanDerWaalsContact C-N 3.35Å; D318-N320 WeakPolarHBondContact OD1-CA 3.4Å; D318-N320 WeakPolarHBondContact OD1-CB 3.36Å; D318-N320 PolarHBondContact OD1-N 3.11Å; D318-T321 PolarHBondContact O-OG1 3.12Å; D318-T321 WeakPolarHBondContact OD2-CG2 3.23Å; D318-R323 PolarHBondContact O-NE 3.49Å; D318-R323 PolarHBondContact O-NH2 2.87Å; D318-R323 VanDerWaalsContact O-NH2 3.09Å
319Q97.5Very high96.3Very high0 Ų051.7 Ų51.70%025%0.254CS..SBendtrans-89.5-4.4178.9-49.2-177.4179.300112.8M302 E304 E313 T314 F315 F317 T321 L326M302-Q319 HydrophobicContact CB-CB 4.16Å; M302-Q319 PolarHBondContact N-O 3.18Å; M302-Q319 VanDerWaalsContact N-O 3.09Å; M302-Q319 VanDerWaalsContact O-CB 3.3Å; M302-Q319 WeakPolarHBondContact O-CB 3.48Å; M302-Q319 PolarHBondContact O-NE2 2.97Å; E304-Q319 PolarHBondContact OE2-NE2 2.78Å; E304-Q319 PolarHBondContact OE2-OE1 3.23Å; E304-Q319 VanDerWaalsContact OE2-OE1 3.12Å; E313-Q319 HydrophobicContact CB-CG 4.07Å; E313-Q319 HydrophobicContact CG-CB 4.06Å; E313-Q319 HydrophobicContact CG-CG 3.86Å; E313-Q319 WeakPolarHBondContact OE1-CA 3.49Å; E313-Q319 VanDerWaalsContact OE1-CB 3.22Å; E313-Q319 WeakPolarHBondContact OE1-CB 3.14Å; E313-Q319 PolarHBondContact OE1-N 2.78Å; E313-Q319 VanDerWaalsContact OE1-N 3.08Å; T314-Q319 VanDerWaalsContact N-OE1 3.08Å; F315-Q319 VanDerWaalsContact CD2-OE1 3.27Å; F317-Q319 WeakPolarHBondContact O-CG 3.28Å; F317-Q319 PolarHBondContact O-N 3.14Å; F317-Q319 VanDerWaalsContact O-N 3.14Å; Q319-T321 PolarHBondContact O-N 2.84Å; Q319-L326 HydrophobicContact CB-CD1 4.07Å; Q319-L326 HydrophobicContact CG-CD1 4.31Å
320N97.5Very high96.4Very high13 Ų1351 Ų517%0.0725%0.245CC..SBendtrans-82.230.6173.4-165.320.6000113H149 Y150 T153 D318H149-N320 PolarHBondContact CD2-ND2 2.91Å; H149-N320 VanDerWaalsContact CD2-ND2 3.3Å; H149-N320 PolarHBondContact CE1-ND2 3.02Å; H149-N320 VanDerWaalsContact NE2-CB 3.32Å; H149-N320 WeakPolarHBondContact NE2-CB 3.4Å; H149-N320 PolarHBondContact NE2-ND2 2.82Å; H149-N320 VanDerWaalsContact NE2-ND2 3.11Å; H149-N320 PolarHBondContact O-ND2 3.17Å; Y150-N320 WeakPolarHBondContact CA-OD1 3.36Å; Y150-N320 HydrophobicContact CD1-CB 3.88Å; Y150-N320 WeakPolarHBondContact CD1-OD1 3.47Å; Y150-N320 HydrophobicContact CE1-CB 3.99Å; T153-N320 WeakPolarHBondContact CB-OD1 3.42Å; T153-N320 WeakPolarHBondContact CG2-O 3.35Å; T153-N320 PolarHBondContact OG1-ND2 3.14Å; T153-N320 VanDerWaalsContact OG1-ND2 3.11Å; T153-N320 PolarHBondContact OG1-OD1 2.95Å; D318-N320 VanDerWaalsContact C-N 3.35Å; D318-N320 WeakPolarHBondContact OD1-CA 3.4Å; D318-N320 WeakPolarHBondContact OD1-CB 3.36Å; D318-N320 PolarHBondContact OD1-N 3.11Å
321T97.1Very high96.4Very high50 Ų5045.6 Ų45.631%0.30722%0.223SC..SBendtrans-134.4151.6176.8490000109.4D318 Q319 R323D318-T321 PolarHBondContact O-OG1 3.12Å; D318-T321 WeakPolarHBondContact OD2-CG2 3.23Å; Q319-T321 PolarHBondContact O-N 2.84Å; T321-R323 PolarHBondContact O-N 3.13Å; T321-R323 VanDerWaalsContact O-N 3.08Å; T321-R323 PolarHBondContact OG1-NE 3.15Å; T321-R323 VanDerWaalsContact OG1-NE 3.14Å; T321-R323 PolarHBondContact OG1-NH2 3.18Å
322E98Very high96.3Very high78 Ų7849.4 Ų49.436%0.36423%0.233SC..  trans-66.4108.3177.3-67.7-159.470.800110.6I157 R161 T295 S299 V301I157-E322 HydrophobicContact CD1-CG 3.56Å; I157-E322 HydrophobicContact CG1-CG 4.39Å; R161-E322 IonicContact CZ-OE2 2.77Å; R161-E322 IonicContact NH2-OE1 2.74Å; R161-E322 PolarHBondContact NH2-OE1 3.18Å; R161-E322 IonicContact NH2-OE2 3.79Å; R161-E322 PolarHBondContact NH2-OE2 3.19Å; T295-E322 WeakPolarHBondContact CB-OE1 3.37Å; T295-E322 HydrophobicContact CG2-CG 4.48Å; T295-E322 PolarHBondContact OG1-OE1 3.15Å; S299-E322 PolarHBondContact OG-OE1 3.2Å; V301-E322 HydrophobicContact CG2-CG 4.12Å
323R98Very high96.3Very high76 Ų7652.6 Ų52.629%0.28725%0.25SC..BIsolated β-bridgetrans-121.1133.1-176.6-68.9-173.4-177.2-82.3-2.2113.8V300 D318 T321 L326 F327V300-R323 PolarHBondContact N-O 2.92Å; V300-R323 PolarHBondContact O-N 3.35Å; D318-R323 PolarHBondContact O-NE 3.49Å; D318-R323 PolarHBondContact O-NH2 2.87Å; D318-R323 VanDerWaalsContact O-NH2 3.09Å; T321-R323 PolarHBondContact O-N 3.13Å; T321-R323 VanDerWaalsContact O-N 3.08Å; T321-R323 PolarHBondContact OG1-NE 3.15Å; T321-R323 VanDerWaalsContact OG1-NE 3.14Å; T321-R323 PolarHBondContact OG1-NH2 3.18Å; R323-L326 HydrophobicContact CB-CB 4.05Å; R323-L326 HydrophobicContact CB-CD1 3.88Å; R323-L326 HydrophobicContact CB-CG 3.84Å; R323-L326 HydrophobicContact CG-CD1 4.28Å; R323-F327 PolarHBondContact O-N 3Å
324R97.5Very high96.2Very high151 Ų15155.2 Ų55.257%0.5726%0.263SS*.Hα-helixtrans-73.2-36174.9-175172.8179.4-171.7-2.1113.7H298 L326 F327 Y328H298-R324 WeakPolarHBondContact O-CA 3.48Å; H298-R324 VanDerWaalsContact O-CB 3.29Å; H298-R324 WeakPolarHBondContact O-CB 3.42Å; H298-R324 WeakPolarHBondContact O-CG 3.25Å; R324-L326 VanDerWaalsContact C-N 3.33Å; R324-L326 PolarHBondContact O-N 3.01Å; R324-F327 WeakPolarHBondContact O-CB 3.47Å; R324-F327 PolarHBondContact O-N 2.88Å; R324-Y328 HydrophobicContact CG-CD2 4.11Å; R324-Y328 HydrophobicContact CG-CE2 3.7Å; R324-Y328 PolarHBondContact NH2-OH 3.03Å; R324-Y328 WeakPolarHBondContact O-CD2 3.47Å; R324-Y328 PolarHBondContact O-N 3.03Å; R324-Y328 VanDerWaalsContact O-N 3.13Å
325S96.9Very high96.2Very high60 Ų6056.3 Ų56.342%0.4227%0.27SS..Hα-helixtrans-58.3-46.4173.252.10000111.5F327 Y328 I329S325-F327 VanDerWaalsContact C-N 3.3Å; S325-F327 PolarHBondContact O-N 3.29Å; S325-Y328 PolarHBondContact O-N 2.95Å; S325-I329 WeakPolarHBondContact O-CG1 3.29Å; S325-I329 PolarHBondContact O-N 3.24Å; S325-I329 VanDerWaalsContact O-N 3.08Å
326L97.2Very high96.1Very high0 Ų059 Ų590%029%0.285CS..Hα-helixtrans-67-31178.1-61.5-178.3000112.4V300 M302 F315 F317 Q319 R323 R324 I329 A330V300-L326 HydrophobicContact CB-CB 4.14Å; V300-L326 HydrophobicContact CG1-CB 4.25Å; M302-L326 HydrophobicContact CB-CD1 3.67Å; M302-L326 HydrophobicContact CB-CG 4.47Å; M302-L326 HydrophobicContact CE-CB 4.35Å; F315-L326 HydrophobicContact CD2-CD2 3.63Å; F315-L326 HydrophobicContact CE2-CD2 3.66Å; F317-L326 HydrophobicContact CE2-CD1 4.2Å; F317-L326 HydrophobicContact CE2-CD2 3.97Å; F317-L326 HydrophobicContact CE2-CG 4.2Å; F317-L326 HydrophobicContact CZ-CD2 4.14Å; Q319-L326 HydrophobicContact CB-CD1 4.07Å; Q319-L326 HydrophobicContact CG-CD1 4.31Å; R323-L326 HydrophobicContact CB-CB 4.05Å; R323-L326 HydrophobicContact CB-CD1 3.88Å; R323-L326 HydrophobicContact CB-CG 3.84Å; R323-L326 HydrophobicContact CG-CD1 4.28Å; R324-L326 VanDerWaalsContact C-N 3.33Å; R324-L326 PolarHBondContact O-N 3.01Å; L326-I329 HydrophobicContact CD2-CD1 4.09Å; L326-I329 PolarHBondContact O-N 3.26Å; L326-A330 VanDerWaalsContact O-CB 3.3Å; L326-A330 WeakPolarHBondContact O-CB 3.43Å; L326-A330 PolarHBondContact O-N 2.92Å
327F97.8Very high96.3Very high11 Ų1156.4 Ų56.45%0.04827%0.267CS..Hα-helixtrans-60.2-50.6169.4175.2-87.6000111.8L9 F294 P297 V300 R323 R324 S325 I329 A330 A331L9-F327 HydrophobicContact CD1-CE2 4.31Å; L9-F327 HydrophobicContact CD1-CZ 4.32Å; F294-F327 AromaticContact CD1-CD2 3.75Å; F294-F327 HydrophobicContact CD1-CD2 3.75Å; F294-F327 AromaticContact CD1-CE2 3.84Å; F294-F327 HydrophobicContact CD1-CE2 3.84Å; F294-F327 AromaticContact CE1-CD2 3.99Å; F294-F327 HydrophobicContact CE1-CD2 3.99Å; F294-F327 HydrophobicContact CE1-CE2 4.04Å; P297-F327 WeakPolarHBondContact O-CE1 3.28Å; P297-F327 WeakPolarHBondContact O-CE2 3.37Å; P297-F327 WeakPolarHBondContact O-CZ 3.43Å; V300-F327 HydrophobicContact CG2-CB 4.06Å; V300-F327 HydrophobicContact CG2-CD2 4.17Å; R323-F327 PolarHBondContact O-N 3Å; R324-F327 WeakPolarHBondContact O-CB 3.47Å; R324-F327 PolarHBondContact O-N 2.88Å; S325-F327 VanDerWaalsContact C-N 3.3Å; S325-F327 PolarHBondContact O-N 3.29Å; F327-I329 VanDerWaalsContact C-N 3.29Å; F327-I329 PolarHBondContact O-N 3.15Å; F327-A330 PolarHBondContact O-N 2.74Å; F327-A331 HydrophobicContact CD1-CB 4.31Å; F327-A331 HydrophobicContact CD2-CB 4.37Å; F327-A331 HydrophobicContact CE1-CB 3.82Å; F327-A331 HydrophobicContact CE2-CB 3.88Å; F327-A331 HydrophobicContact CZ-CB 3.56Å; F327-A331 VanDerWaalsContact O-CB 3.23Å; F327-A331 WeakPolarHBondContact O-CB 3.42Å; F327-A331 PolarHBondContact O-N 3.17Å
328Y96.9Very high96.4Very high108 Ų10856.6 Ų56.642%0.42427%0.266SS..Hα-helixtrans-60.5-40.7178.9-76.6-72.2000111.8R324 S325 R332 L333R324-Y328 HydrophobicContact CG-CD2 4.11Å; R324-Y328 HydrophobicContact CG-CE2 3.7Å; R324-Y328 PolarHBondContact NH2-OH 3.03Å; R324-Y328 WeakPolarHBondContact O-CD2 3.47Å; R324-Y328 PolarHBondContact O-N 3.03Å; R324-Y328 VanDerWaalsContact O-N 3.13Å; S325-Y328 PolarHBondContact O-N 2.95Å; Y328-R332 HydrophobicContact CD1-CG 4.25Å; Y328-R332 WeakPolarHBondContact O-CA 3.21Å; Y328-R332 VanDerWaalsContact O-CB 3.29Å; Y328-R332 WeakPolarHBondContact O-CB 3.22Å; Y328-R332 PolarHBondContact O-N 2.83Å; Y328-L333 PolarHBondContact O-N 2.85Å; Y328-L333 VanDerWaalsContact O-N 3.16Å
329I96.2Very high96.4Very high33 Ų3355.3 Ų55.317%0.16926%0.256CS..Iπ-helixtrans-59.1-55.2174.6-69.3161.5000110.1F315 S325 L326 F327 L333 M334F315-I329 HydrophobicContact CE1-CD1 4.32Å; F315-I329 HydrophobicContact CE2-CD1 3.95Å; F315-I329 HydrophobicContact CZ-CD1 3.58Å; S325-I329 WeakPolarHBondContact O-CG1 3.29Å; S325-I329 PolarHBondContact O-N 3.24Å; S325-I329 VanDerWaalsContact O-N 3.08Å; L326-I329 HydrophobicContact CD2-CD1 4.09Å; L326-I329 PolarHBondContact O-N 3.26Å; F327-I329 VanDerWaalsContact C-N 3.29Å; F327-I329 PolarHBondContact O-N 3.15Å; I329-L333 HydrophobicContact CG1-CD2 4.5Å; I329-L333 HydrophobicContact CG2-CD2 4.47Å; I329-L333 WeakPolarHBondContact O-CB 3.48Å; I329-L333 PolarHBondContact O-N 3.47Å; I329-M334 HydrophobicContact CG2-CE 3.65Å; I329-M334 HydrophobicContact CG2-CG 4.35Å; I329-M334 WeakPolarHBondContact O-CG 3.34Å; I329-M334 PolarHBondContact O-N 3.28Å
330A96.6Very high96.3Very high10 Ų1058.3 Ų58.38%0.08327%0.274CS..Iπ-helixtrans-67.9-40.2-175.100000113.8P292 F294 V300 M302 L326 F327P292-A330 HydrophobicContact CB-CB 3.58Å; P292-A330 HydrophobicContact CG-CB 4.25Å; F294-A330 HydrophobicContact CE1-CB 3.81Å; F294-A330 HydrophobicContact CZ-CB 3.72Å; V300-A330 HydrophobicContact CG2-CB 4.23Å; M302-A330 HydrophobicContact CE-CB 4Å; L326-A330 VanDerWaalsContact O-CB 3.3Å; L326-A330 WeakPolarHBondContact O-CB 3.43Å; L326-A330 PolarHBondContact O-N 2.92Å; F327-A330 PolarHBondContact O-N 2.74Å
331A95.8Very high96.2Very high3 Ų360.5 Ų60.53%0.02529%0.285CS..Iπ-helixtrans-90.7-26-172.100000114.1L4 F294 F327L4-A331 HydrophobicContact CD1-CB 3.92Å; L4-A331 HydrophobicContact CD2-CB 4.4Å; F294-A331 HydrophobicContact CE1-CB 3.96Å; F294-A331 HydrophobicContact CZ-CB 4.41Å; F327-A331 HydrophobicContact CD1-CB 4.31Å; F327-A331 HydrophobicContact CD2-CB 4.37Å; F327-A331 HydrophobicContact CE1-CB 3.82Å; F327-A331 HydrophobicContact CE2-CB 3.88Å; F327-A331 HydrophobicContact CZ-CB 3.56Å; F327-A331 VanDerWaalsContact O-CB 3.23Å; F327-A331 WeakPolarHBondContact O-CB 3.42Å; F327-A331 PolarHBondContact O-N 3.17Å
332R94.5Very high96.1Very high143 Ų14360.4 Ų60.454%0.5428%0.28SS..Iπ-helixtrans-117.9-50.9-174.9-55.2-64.6-175.5151.2-2.3112.4Y328 I336Y328-R332 HydrophobicContact CD1-CG 4.25Å; Y328-R332 WeakPolarHBondContact O-CA 3.21Å; Y328-R332 VanDerWaalsContact O-CB 3.29Å; Y328-R332 WeakPolarHBondContact O-CB 3.22Å; Y328-R332 PolarHBondContact O-N 2.83Å; R332-I336 WeakPolarHBondContact O-CD1 3.29Å; R332-I336 WeakPolarHBondContact O-CG1 3.5Å
333L95.7Very high95.9Very high78 Ų7858.6 Ų58.641%0.40827%0.274SS..Iπ-helixtrans-72.3-48.2-176.8-179.961.4000112.3Y328 I329 I336 L337Y328-L333 PolarHBondContact O-N 2.85Å; Y328-L333 VanDerWaalsContact O-N 3.16Å; I329-L333 HydrophobicContact CG1-CD2 4.5Å; I329-L333 HydrophobicContact CG2-CD2 4.47Å; I329-L333 WeakPolarHBondContact O-CB 3.48Å; I329-L333 PolarHBondContact O-N 3.47Å; L333-I336 WeakPolarHBondContact O-CB 3.48Å; L333-I336 PolarHBondContact O-N 3.21Å; L333-L337 HydrophobicContact CD1-CD1 4.14Å; L333-L337 HydrophobicContact CD1-CD2 4.22Å; L333-L337 HydrophobicContact CD1-CG 3.96Å; L333-L337 HydrophobicContact CD2-CD1 4.24Å; L333-L337 HydrophobicContact CG-CD1 3.78Å; L333-L337 HydrophobicContact CG-CG 4.05Å; L333-L337 WeakPolarHBondContact O-CG 3.46Å; L333-L337 PolarHBondContact O-N 2.96Å
334M95Very high95.7Very high70 Ų7063.2 Ų63.235%0.34529%0.292SS..Hα-helixtrans-60.2-41.3-175.4-70.9-61124.300114.1I329 I336 L337 Y338I329-M334 HydrophobicContact CG2-CE 3.65Å; I329-M334 HydrophobicContact CG2-CG 4.35Å; I329-M334 WeakPolarHBondContact O-CG 3.34Å; I329-M334 PolarHBondContact O-N 3.28Å; M334-I336 VanDerWaalsContact C-N 3.29Å; M334-I336 PolarHBondContact O-N 2.88Å; M334-L337 HydrophobicContact CE-CD1 3.48Å; M334-L337 VanDerWaalsContact CE-CD1 3.48Å; M334-L337 PolarHBondContact O-N 3.29Å; M334-L337 HydrophobicContact SD-CD1 4.13Å; M334-Y338 WeakPolarHBondContact O-CB 3.28Å; M334-Y338 PolarHBondContact O-N 2.95Å
335P94.6Very high95.5Very high29 Ų2958 Ų5819%0.18829%0.285CS..Hα-helixtrans-58.7-38.3172.7-27.436.1000113.6M1 W339M1-P335 HydrophobicContact SD-CB 4.26Å; P335-W339 PolarHBondContact O-N 2.99Å
336I95Very high95.4Very high100 Ų10063.1 Ų63.151%0.51330%0.296SS..Hα-helixtrans-65.4-53.9176.5-62.2168.4000109.1R332 L333 M334 Y338 W339 T340R332-I336 WeakPolarHBondContact O-CD1 3.29Å; R332-I336 WeakPolarHBondContact O-CG1 3.5Å; L333-I336 WeakPolarHBondContact O-CB 3.48Å; L333-I336 PolarHBondContact O-N 3.21Å; M334-I336 VanDerWaalsContact C-N 3.29Å; M334-I336 PolarHBondContact O-N 2.88Å; I336-Y338 PolarHBondContact O-N 2.73Å; I336-W339 PolarHBondContact O-N 3.28Å; I336-T340 HydrophobicContact CG2-CG2 4.1Å; I336-T340 WeakPolarHBondContact O-CB 3.48Å; I336-T340 WeakPolarHBondContact O-CG2 3.49Å; I336-T340 PolarHBondContact O-N 2.7Å; I336-T340 PolarHBondContact O-OG1 3.41Å
337L95.3Very high95.3Very high29 Ų2965 Ų6515%0.15230%0.303CS..Hα-helixtrans-58.6-35.5179.7-63.1177.3000112.5L333 M334 L341 Y342 W347L333-L337 HydrophobicContact CD1-CD1 4.14Å; L333-L337 HydrophobicContact CD1-CD2 4.22Å; L333-L337 HydrophobicContact CD1-CG 3.96Å; L333-L337 HydrophobicContact CD2-CD1 4.24Å; L333-L337 HydrophobicContact CG-CD1 3.78Å; L333-L337 HydrophobicContact CG-CG 4.05Å; L333-L337 WeakPolarHBondContact O-CG 3.46Å; L333-L337 PolarHBondContact O-N 2.96Å; M334-L337 HydrophobicContact CE-CD1 3.48Å; M334-L337 VanDerWaalsContact CE-CD1 3.48Å; M334-L337 PolarHBondContact O-N 3.29Å; M334-L337 HydrophobicContact SD-CD1 4.13Å; L337-L341 HydrophobicContact CD2-CD1 3.56Å; L337-L341 HydrophobicContact CD2-CG 4.31Å; L337-L341 WeakPolarHBondContact O-CA 3.46Å; L337-L341 WeakPolarHBondContact O-CB 3.16Å; L337-L341 PolarHBondContact O-N 3.02Å; L337-Y342 PolarHBondContact O-N 3.23Å; L337-W347 HydrophobicContact CD1-CH2 4.36Å; L337-W347 HydrophobicContact CD1-CZ3 4.28Å
338Y95.9Very high95.1Very high72 Ų7266.1 Ų66.128%0.28231%0.309SS..Iπ-helixtrans-58.5-54.8176174.6-101.2000111L256 M334 I336 Y342 V343L256-Y338 HydrophobicContact CD1-CD2 3.95Å; L256-Y338 HydrophobicContact CD1-CE2 3.74Å; L256-Y338 HydrophobicContact CD2-CD2 3.49Å; L256-Y338 VanDerWaalsContact CD2-CD2 3.49Å; L256-Y338 HydrophobicContact CD2-CE2 3.9Å; L256-Y338 HydrophobicContact CD2-CG 4.33Å; L256-Y338 HydrophobicContact CG-CD2 4.34Å; L256-Y338 HydrophobicContact CG-CE2 4.49Å; M334-Y338 WeakPolarHBondContact O-CB 3.28Å; M334-Y338 PolarHBondContact O-N 2.95Å; I336-Y338 PolarHBondContact O-N 2.73Å; Y338-Y342 AromaticContact CD2-CD1 3.57Å; Y338-Y342 HydrophobicContact CD2-CD1 3.57Å; Y338-Y342 HydrophobicContact CD2-CE1 4.36Å; Y338-Y342 HydrophobicContact CD2-CG 4.41Å; Y338-Y342 AromaticContact CE2-CD1 3.59Å; Y338-Y342 HydrophobicContact CE2-CD1 3.59Å; Y338-Y342 HydrophobicContact CE2-CE1 4Å; Y338-Y342 WeakPolarHBondContact O-CB 3.42Å; Y338-Y342 PolarHBondContact O-N 3.34Å; Y338-V343 HydrophobicContact CD1-CG2 4.24Å; Y338-V343 HydrophobicContact CE1-CG2 3.81Å; Y338-V343 HydrophobicContact CE2-CG2 4.14Å; Y338-V343 WeakPolarHBondContact O-CG2 3.35Å; Y338-V343 PolarHBondContact O-N 3.19Å
339W95.1Very high94.9Very high48 Ų4861.1 Ų61.118%0.18229%0.29CS..Iπ-helixtrans-74.8-36.9-176.6-67.6122.3000113.3M1 R17 P335 I336 V343M1-W339 HydrophobicContact CE-CZ2 4.37Å; R17-W339 HydrophobicContact CB-CE3 4.36Å; R17-W339 HydrophobicContact CB-CH2 3.81Å; R17-W339 HydrophobicContact CB-CZ2 4.46Å; R17-W339 HydrophobicContact CB-CZ3 3.75Å; R17-W339 HydrophobicContact CG-CD2 3.93Å; R17-W339 HydrophobicContact CG-CE3 3.68Å; R17-W339 HydrophobicContact CG-CH2 3.58Å; R17-W339 HydrophobicContact CG-CZ2 3.81Å; R17-W339 HydrophobicContact CG-CZ3 3.51Å; P335-W339 PolarHBondContact O-N 2.99Å; I336-W339 PolarHBondContact O-N 3.28Å; W339-V343 HydrophobicContact CE3-CG2 3.94Å; W339-V343 HydrophobicContact CZ3-CG2 4.2Å
340T94.7Very high94.8Very high62 Ų6260.2 Ų60.238%0.3829%0.286SS..Iπ-helixtrans-89-30.1-173.262.30000113.7I336 R344I336-T340 HydrophobicContact CG2-CG2 4.1Å; I336-T340 WeakPolarHBondContact O-CB 3.48Å; I336-T340 WeakPolarHBondContact O-CG2 3.49Å; I336-T340 PolarHBondContact O-N 2.7Å; I336-T340 PolarHBondContact O-OG1 3.41Å; T340-R344 WeakPolarHBondContact O-CD 3.37Å
341L95.8Very high94.6Very high59 Ų5961.2 Ų61.231%0.30929%0.293SS..Iπ-helixtrans-115.4-53.8-177.6-57.6-176.9000112.5L337 R344 G345 Y346 W347L337-L341 HydrophobicContact CD2-CD1 3.56Å; L337-L341 HydrophobicContact CD2-CG 4.31Å; L337-L341 WeakPolarHBondContact O-CA 3.46Å; L337-L341 WeakPolarHBondContact O-CB 3.16Å; L337-L341 PolarHBondContact O-N 3.02Å; L341-R344 CarbonylContact O-C 3.55Å; L341-R344 PolarHBondContact O-N 2.99Å; L341-G345 PolarHBondContact O-N 3.49Å; L341-G345 VanDerWaalsContact O-N 3.13Å; L341-Y346 PolarHBondContact O-N 3.27Å; L341-W347 HydrophobicContact CB-CB 3.96Å; L341-W347 HydrophobicContact CD1-CE3 4.31Å
342Y95.5Very high94.3Very high48 Ų4864.5 Ų64.519%0.18831%0.313CS..Iπ-helixtrans-67.7-51.3-170.2178.1-111.1000113.1L256 I259 T260 L337 Y338 R344 G345 W347L256-Y342 HydrophobicContact CD1-CD1 3.99Å; L256-Y342 HydrophobicContact CD1-CE1 3.59Å; I259-Y342 WeakPolarHBondContact CG2-OH 3.48Å; T260-Y342 HydrophobicContact CG2-CD2 3.65Å; T260-Y342 HydrophobicContact CG2-CE2 3.66Å; T260-Y342 HydrophobicContact CG2-CG 4.12Å; L337-Y342 PolarHBondContact O-N 3.23Å; Y338-Y342 AromaticContact CD2-CD1 3.57Å; Y338-Y342 HydrophobicContact CD2-CD1 3.57Å; Y338-Y342 HydrophobicContact CD2-CE1 4.36Å; Y338-Y342 HydrophobicContact CD2-CG 4.41Å; Y338-Y342 AromaticContact CE2-CD1 3.59Å; Y338-Y342 HydrophobicContact CE2-CD1 3.59Å; Y338-Y342 HydrophobicContact CE2-CE1 4Å; Y338-Y342 WeakPolarHBondContact O-CB 3.42Å; Y338-Y342 PolarHBondContact O-N 3.34Å; Y342-R344 PolarHBondContact O-N 3.03Å; Y342-R344 VanDerWaalsContact O-N 3.12Å; Y342-G345 PolarHBondContact O-N 3.05Å; Y342-W347 HydrophobicContact CD2-CB 4.26Å; Y342-W347 WeakPolarHBondContact CD2-O 3.47Å
343V94.4Very high94.2Very high40 Ų4062.7 Ų62.724%0.24231%0.309CS..THydrogen-bonded Turntrans-58.1-27.4176.5170.40000111.4C22 Y338 W339C22-V343 HydrophobicContact CB-CG1 3.76Å; Y338-V343 HydrophobicContact CD1-CG2 4.24Å; Y338-V343 HydrophobicContact CE1-CG2 3.81Å; Y338-V343 HydrophobicContact CE2-CG2 4.14Å; Y338-V343 WeakPolarHBondContact O-CG2 3.35Å; Y338-V343 PolarHBondContact O-N 3.19Å; W339-V343 HydrophobicContact CE3-CG2 3.94Å; W339-V343 HydrophobicContact CZ3-CG2 4.2Å
344R93.4Very high94.1Very high174 Ų17459.6 Ų59.666%0.65729%0.292SS*.THydrogen-bonded Turntrans-88.73.7175.9-60.7-169.4-180170.6-5.3114.4T340 L341 Y342 Y346T340-R344 WeakPolarHBondContact O-CD 3.37Å; L341-R344 CarbonylContact O-C 3.55Å; L341-R344 PolarHBondContact O-N 2.99Å; Y342-R344 PolarHBondContact O-N 3.03Å; Y342-R344 VanDerWaalsContact O-N 3.12Å; R344-Y346 HydrophobicContact CB-CD2 3.59Å; R344-Y346 HydrophobicContact CB-CE2 3.73Å; R344-Y346 WeakPolarHBondContact O-CD2 3.31Å; R344-Y346 WeakPolarHBondContact O-CE2 3.22Å
345G92.9Very high93.7Very high42 Ų4264.9 Ų64.943%0.43331%0.308SS..THydrogen-bonded Turntrans79.214.1177.200000116R267 L341 Y342R267-G345 PolarHBondContact NH1-O 2.97Å; L341-G345 PolarHBondContact O-N 3.49Å; L341-G345 VanDerWaalsContact O-N 3.13Å; Y342-G345 PolarHBondContact O-N 3.05Å
346Y94.3Very high93.6Very high166 Ų16672.1 Ų72.165%0.65133%0.333SS*.  trans-100.3-1.8-177.8-60.6-65.3000114.7L341 R344L341-Y346 PolarHBondContact O-N 3.27Å; R344-Y346 HydrophobicContact CB-CD2 3.59Å; R344-Y346 HydrophobicContact CB-CE2 3.73Å; R344-Y346 WeakPolarHBondContact O-CD2 3.31Å; R344-Y346 WeakPolarHBondContact O-CE2 3.22Å
347W95.3Very high93.4Very high40 Ų4070.8 Ų70.815%0.15233%0.326CS..  trans-116.5128.2178.5-179.2-97.6000111.8L337 L341 Y342 F353L337-W347 HydrophobicContact CD1-CH2 4.36Å; L337-W347 HydrophobicContact CD1-CZ3 4.28Å; L341-W347 HydrophobicContact CB-CB 3.96Å; L341-W347 HydrophobicContact CD1-CE3 4.31Å; Y342-W347 HydrophobicContact CD2-CB 4.26Å; Y342-W347 WeakPolarHBondContact CD2-O 3.47Å; W347-F353 HydrophobicContact CE3-CE2 4.44Å; W347-F353 AromaticContact CH2-CD2 3.88Å; W347-F353 HydrophobicContact CH2-CD2 3.88Å; W347-F353 AromaticContact CH2-CE2 3.42Å; W347-F353 HydrophobicContact CH2-CE2 3.42Å; W347-F353 VanDerWaalsContact CH2-CE2 3.42Å; W347-F353 HydrophobicContact CH2-CZ 4.24Å; W347-F353 HydrophobicContact CZ3-CD2 4.22Å; W347-F353 AromaticContact CZ3-CE2 3.31Å; W347-F353 HydrophobicContact CZ3-CE2 3.31Å; W347-F353 AromaticContact CZ3-CZ 3.89Å; W347-F353 HydrophobicContact CZ3-CZ 3.89Å
348E93.8Very high92.9Very high34 Ų3472.6 Ų72.616%0.15933%0.331CS..  trans-126.426.2-168.3-72.6-165.4150.800112.8K264 R267 R268K264-E348 HydrophobicContact CB-CB 3.8Å; K264-E348 HydrophobicContact CB-CG 3.93Å; K264-E348 HydrophobicContact CD-CB 4.21Å; R267-E348 IonicContact NH1-OE1 2.82Å; R268-E348 IonicContact CZ-OE1 3.28Å; R268-E348 IonicContact CZ-OE2 2.82Å; R268-E348 IonicContact NH1-OE1 3.84Å; R268-E348 PolarHBondContact NH1-OE1 2.99Å; R268-E348 IonicContact NH1-OE2 2.7Å; R268-E348 PolarHBondContact NH1-OE2 3.44Å; R268-E348 IonicContact NH2-OE1 2.65Å; R268-E348 IonicContact NH2-OE2 3.75Å; R268-E348 PolarHBondContact NH2-OE2 3.12Å
349G93.5Very high91.9Very high4 Ų473.3 Ų73.34%0.04134%0.344CS..  trans77.8170.6-172.700000113.1T260 S351T260-G349 WeakPolarHBondContact OG1-CA 3.44Å; G349-S351 PolarHBondContact O-N 3.18Å
350P94.6Very high90.9Very high13 Ų1380.6 Ų80.68%0.08438%0.378CS..THydrogen-bonded Turntrans-83.28.9-168.832.4-34.2000114.5Y288 T314 V352 F353 R354Y288-P350 HydrophobicContact CE1-CG 4.05Å; Y288-P350 HydrophobicContact CE2-CG 4.12Å; Y288-P350 VanDerWaalsContact CZ-CG 3.48Å; Y288-P350 WeakPolarHBondContact OH-CD 3.35Å; Y288-P350 WeakPolarHBondContact OH-CG 3.36Å; T314-P350 HydrophobicContact CG2-CB 3.79Å; T314-P350 WeakPolarHBondContact OG1-CB 3.34Å; T314-P350 VanDerWaalsContact OG1-CG 3.29Å; T314-P350 WeakPolarHBondContact OG1-CG 3.25Å; P350-V352 PolarHBondContact O-N 2.78Å; P350-V352 VanDerWaalsContact O-N 3.12Å; P350-F353 PolarHBondContact O-N 2.95Å; P350-R354 PolarHBondContact O-N 3.23Å
351S92Very high89.4Confident31 Ų3180.5 Ų80.522%0.21738%0.377CS..Hα-helixtrans-52.5-37.5-176.958.60000113.9K264 G349 R355K264-S351 PolarHBondContact NZ-OG 3.18Å; G349-S351 PolarHBondContact O-N 3.18Å; S351-R355 PolarHBondContact O-N 2.85Å
352V89.5Confident87.3Confident73 Ų7383.4 Ų83.444%0.44240%0.403SS..Hα-helixtrans-66.4-48.8176.6179.10000110.7P350 R354 R355 Y356P350-V352 PolarHBondContact O-N 2.78Å; P350-V352 VanDerWaalsContact O-N 3.12Å; V352-R354 VanDerWaalsContact C-N 3.33Å; V352-R354 PolarHBondContact O-N 3.28Å; V352-R355 WeakPolarHBondContact O-CB 3.37Å; V352-R355 PolarHBondContact O-N 3.43Å; V352-Y356 HydrophobicContact CG1-CD2 3.99Å; V352-Y356 HydrophobicContact CG1-CE2 3.65Å; V352-Y356 WeakPolarHBondContact O-CD2 3.38Å; V352-Y356 PolarHBondContact O-N 3.02Å
353F91.6Very high84.9Confident104 Ų10487.5 Ų87.546%0.45643%0.428SS..Hα-helixtrans-60.8-42.4177.9-63.4-85.9000111.8T314 W347 P350 R355 Y356 L357T314-F353 HydrophobicContact CG2-CB 4.17Å; W347-F353 HydrophobicContact CE3-CE2 4.44Å; W347-F353 AromaticContact CH2-CD2 3.88Å; W347-F353 HydrophobicContact CH2-CD2 3.88Å; W347-F353 AromaticContact CH2-CE2 3.42Å; W347-F353 HydrophobicContact CH2-CE2 3.42Å; W347-F353 VanDerWaalsContact CH2-CE2 3.42Å; W347-F353 HydrophobicContact CH2-CZ 4.24Å; W347-F353 HydrophobicContact CZ3-CD2 4.22Å; W347-F353 AromaticContact CZ3-CE2 3.31Å; W347-F353 HydrophobicContact CZ3-CE2 3.31Å; W347-F353 AromaticContact CZ3-CZ 3.89Å; W347-F353 HydrophobicContact CZ3-CZ 3.89Å; P350-F353 PolarHBondContact O-N 2.95Å; F353-R355 VanDerWaalsContact C-N 3.3Å; F353-R355 PolarHBondContact O-N 3.16Å; F353-Y356 PolarHBondContact O-N 3.05Å; F353-Y356 VanDerWaalsContact O-N 3.11Å; F353-L357 HydrophobicContact CB-CD1 4.34Å; F353-L357 WeakPolarHBondContact O-CB 3.38Å; F353-L357 VanDerWaalsContact O-CG 3.27Å; F353-L357 WeakPolarHBondContact O-CG 3.32Å; F353-L357 PolarHBondContact O-N 2.89Å
354R93.1Very high84.4Confident13 Ų1389.9 Ų89.95%0.04944%0.437CS..Hα-helixtrans-57.7-43.2177.3-170.1-179.2-51.1120.25.3112.1E304 I312 E313 T314 P350 V352 Y356 L357 R358E304-R354 IonicContact OE1-NH2 3.33Å; I312-R354 VanDerWaalsContact CG2-NH1 3.26Å; I312-R354 VanDerWaalsContact O-CZ 3.3Å; I312-R354 PolarHBondContact O-NE 3.2Å; I312-R354 VanDerWaalsContact O-NE 3.13Å; I312-R354 PolarHBondContact O-NH2 3.5Å; I312-R354 VanDerWaalsContact O-NH2 3.13Å; E313-R354 WeakPolarHBondContact O-CD 3.44Å; E313-R354 PolarHBondContact O-NE 2.79Å; T314-R354 PolarHBondContact OG1-NH2 2.8Å; P350-R354 PolarHBondContact O-N 3.23Å; V352-R354 VanDerWaalsContact C-N 3.33Å; V352-R354 PolarHBondContact O-N 3.28Å; R354-Y356 VanDerWaalsContact C-N 3.29Å; R354-Y356 PolarHBondContact O-N 3.26Å; R354-L357 PolarHBondContact O-N 3.33Å; R354-R358 WeakPolarHBondContact O-CB 3.47Å; R354-R358 PolarHBondContact O-N 3.08Å
355R88.6Confident84Confident181 Ų18185.4 Ų85.468%0.68343%0.425SS*.Hα-helixtrans-60.3-38.5177.3-174.4179.6178.1-177.8-0.1112.3S351 V352 F353S351-R355 PolarHBondContact O-N 2.85Å; V352-R355 WeakPolarHBondContact O-CB 3.37Å; V352-R355 PolarHBondContact O-N 3.43Å; F353-R355 VanDerWaalsContact C-N 3.3Å; F353-R355 PolarHBondContact O-N 3.16Å
356Y91.1Very high83.5Confident182 Ų18287.8 Ų87.871%0.71443%0.425SS*.Hα-helixtrans-78.9-38178.7-72.7-68.9000113.3V352 F353 R354V352-Y356 HydrophobicContact CG1-CD2 3.99Å; V352-Y356 HydrophobicContact CG1-CE2 3.65Å; V352-Y356 WeakPolarHBondContact O-CD2 3.38Å; V352-Y356 PolarHBondContact O-N 3.02Å; F353-Y356 PolarHBondContact O-N 3.05Å; F353-Y356 VanDerWaalsContact O-N 3.11Å; R354-Y356 VanDerWaalsContact C-N 3.29Å; R354-Y356 PolarHBondContact O-N 3.26Å
357L90.2Very high82.8Confident72 Ų7283.2 Ų83.238%0.37741%0.411SS..Hα-helixtrans-82.1-23.5-176.2-66.7175.4000113T314 F315 F353 R354 P359T314-L357 HydrophobicContact CG2-CD1 4.43Å; F315-L357 HydrophobicContact CD1-CD1 3.83Å; F315-L357 HydrophobicContact CE1-CD1 4.01Å; F353-L357 HydrophobicContact CB-CD1 4.34Å; F353-L357 WeakPolarHBondContact O-CB 3.38Å; F353-L357 VanDerWaalsContact O-CG 3.27Å; F353-L357 WeakPolarHBondContact O-CG 3.32Å; F353-L357 PolarHBondContact O-N 2.89Å; R354-L357 PolarHBondContact O-N 3.33Å; L357-P359 VanDerWaalsContact C-CD 3.46Å
358R85.9Confident82.1Confident66 Ų6685.9 Ų85.925%0.24943%0.428CS..  trans-127.664.4178.6-51.6-176.871.8143.31.6111E313 F315 P316 R354 F360 T361E313-R358 IonicContact OE2-NH1 3.78Å; F315-R358 PolarHBondContact O-NH1 3.3Å; F315-R358 VanDerWaalsContact O-NH1 3.14Å; P316-R358 HydrophobicContact CB-CG 4.28Å; R354-R358 WeakPolarHBondContact O-CB 3.47Å; R354-R358 PolarHBondContact O-N 3.08Å; R358-F360 PolarHBondContact O-N 3.33Å; R358-F360 VanDerWaalsContact O-N 3.08Å; R358-T361 HydrophobicContact CB-CG2 4.38Å; R358-T361 WeakPolarHBondContact CB-OG1 3.41Å; R358-T361 PolarHBondContact O-N 3.32Å; R358-T361 PolarHBondContact O-OG1 3.12Å; R358-T361 VanDerWaalsContact O-OG1 3.12Å
359P75.6Confident81.3Confident87 Ų8789.4 Ų89.457%0.56545%0.446SS*.THydrogen-bonded Turntrans-63-20.7-173.825.3-33.9000113.7L357L357-P359 VanDerWaalsContact C-CD 3.46Å
360F73.7Confident80.4Confident201 Ų20195.5 Ų95.588%0.88248%0.475SS*.THydrogen-bonded Turntrans-103.9-0.8-176.2-54.5-66.1000114.9R358R358-F360 PolarHBondContact O-N 3.33Å; R358-F360 VanDerWaalsContact O-N 3.08Å
361T63.2Low79.3Confident60 Ų60101.8 Ų101.837%0.36851%0.505SS..SBendtrans-91.6119.2172.649.80000109.9R358 N363R358-T361 HydrophobicContact CB-CG2 4.38Å; R358-T361 WeakPolarHBondContact CB-OG1 3.41Å; R358-T361 PolarHBondContact O-N 3.32Å; R358-T361 PolarHBondContact O-OG1 3.12Å; R358-T361 VanDerWaalsContact O-OG1 3.12Å; T361-N363 PolarHBondContact O-N 3.38Å
362S50.5Low78.3Confident121 Ų121107.8 Ų107.885%0.84653%0.529SS*.  trans-61.3122.5171.556.20000110
363N46.3Very low77.2Confident133 Ų133110.9 Ų110.971%0.71154%0.536SS*.  trans-60.10178.3-81.9-48000112.7K310 T361K310-N363 PolarHBondContact NZ-OXT 3.45Å; T361-N363 PolarHBondContact O-N 3.38Å

Retrieved 363 of 363 residues in 181.4 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).