A0A077S9K7_MICMU Loading...

Lysozyme A

AlphaFold DB , UniProt , Accession A0A077S9K7, Species MICMU (Microcebus murinus, Gray mouse lemur), Gene LYZA, Length 145 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
1M40.2Very low54.3Low247 Ų247140.2 Ų140.2100%1.21782%0.816SS**  0117.90-72.8174.5-102.400107.5
2K43.3Very low54.6Low210 Ų210137.9 Ų137.991%0.91381%0.811SS**  trans-91121.4-175.4-64.9177177.2179.20108.1
3A47.2Very low54.9Low94 Ų94138.2 Ų138.278%0.77781%0.806SS**  trans-117.791.9170.700000108.1V5A3-V5 PolarHBondContact O-N 3.17Å
4S52.8Low55.2Low109 Ų109137.8 Ų137.876%0.76281%0.806SS**  trans-77.8105.8170.1-630000108V6S4-V6 PolarHBondContact O-N 3.43Å
5V54.6Low55.2Low127 Ų127139.8 Ų139.877%0.7780%0.801SS**  trans-82100.9171.4178.20000107.5A3 L7A3-V5 PolarHBondContact O-N 3.17Å; V5-L7 PolarHBondContact O-N 3.33Å
6V58Low55.1Low129 Ų129138.6 Ų138.678%0.78280%0.8SS**  trans-79.4106.2171.1178.70000107.5S4 S8S4-V6 PolarHBondContact O-N 3.43Å; V6-S8 PolarHBondContact O-N 3.14Å; V6-S8 VanDerWaalsContact O-N 3.14Å
7L56.1Low55.2Low154 Ų154136.9 Ų136.981%0.80680%0.798SS**  trans-73.2101.1174.6-154.279.8000108.3V5 L9V5-L7 PolarHBondContact O-N 3.33Å; L7-L9 PolarHBondContact O-N 3.39Å
8S60.6Low55.4Low95 Ų95133.6 Ų133.666%0.66478%0.784SS**  trans-70.2108.8178.8-167.80000110.1V6 I10V6-S8 PolarHBondContact O-N 3.14Å; V6-S8 VanDerWaalsContact O-N 3.14Å; S8-I10 PolarHBondContact O-N 2.72Å; S8-I10 VanDerWaalsContact O-N 3.08Å
9L59.3Low55.6Low166 Ų166130.1 Ų130.187%0.86977%0.772SS**  trans-73.192.1170.6-78.1162.6000108.8L7 G11L7-L9 PolarHBondContact O-N 3.39Å; L9-G11 VanDerWaalsContact C-N 3.32Å; L9-G11 PolarHBondContact O-N 3.01Å
10I63.2Low56.8Low147 Ų147132.8 Ų132.875%0.75477%0.768SS**  trans-7690.9169.7-59143.1000106.8S8 C12S8-I10 PolarHBondContact O-N 2.72Å; S8-I10 VanDerWaalsContact O-N 3.08Å; I10-C12 PolarHBondContact O-N 3.2Å; I10-C12 VanDerWaalsContact O-N 3.14Å
11G61.8Low58.4Low64 Ų64131.2 Ų131.266%0.6676%0.756SS**  trans-66.7105.8169.300000109.5L9 L13L9-G11 VanDerWaalsContact C-N 3.32Å; L9-G11 PolarHBondContact O-N 3.01Å; G11-L13 VanDerWaalsContact C-N 3.34Å; G11-L13 PolarHBondContact O-N 3.24Å
12C58.4Low61Low113 Ų113120.4 Ų120.476%0.76470%0.703SS**  trans-61.499.3163.3-81.70000108.2I10 V14I10-C12 PolarHBondContact O-N 3.2Å; I10-C12 VanDerWaalsContact O-N 3.14Å; C12-V14 PolarHBondContact O-N 3.15Å
13L57.9Low63.6Low142 Ų142112.5 Ų112.574%0.74368%0.68SS**  trans-64.294.7162-69172.3000106.7G11 F15G11-L13 VanDerWaalsContact C-N 3.34Å; G11-L13 PolarHBondContact O-N 3.24Å; L13-F15 HydrophobicContact CB-CE2 4.43Å; L13-F15 WeakPolarHBondContact O-CD2 3.47Å; L13-F15 PolarHBondContact O-N 3.15Å
14V58.8Low66Low132 Ų132111.6 Ų111.680%0.866%0.657SS**  trans-66.894.1166.1-1670000105.3C12 P16C12-V14 PolarHBondContact O-N 3.15Å; V14-P16 WeakPolarHBondContact O-CD 3.42Å
15F56.2Low68.2Low168 Ų168108.4 Ų108.474%0.73763%0.634SS**PPolyproline II helixtrans-56.5124.2171.3-71.8-86000107.1L13 S17L13-F15 HydrophobicContact CB-CE2 4.43Å; L13-F15 WeakPolarHBondContact O-CD2 3.47Å; L13-F15 PolarHBondContact O-N 3.15Å; F15-S17 PolarHBondContact O-N 2.75Å; F15-S17 VanDerWaalsContact O-N 3.07Å
16P52.7Low70.2Confident120 Ų120105.7 Ų105.778%0.77962%0.618SS**PPolyproline II helixtrans-55.3123.4177.117.3-25.7000107.8V14 S18V14-P16 WeakPolarHBondContact O-CD 3.42Å; P16-S18 PolarHBondContact O-N 3.18Å
17S57.2Low72.2Confident110 Ų11099.5 Ų99.577%0.76958%0.581SS**PPolyproline II helixtrans-52.1117.5179.6630000107.8F15 A19F15-S17 PolarHBondContact O-N 2.75Å; F15-S17 VanDerWaalsContact O-N 3.07Å; S17-A19 PolarHBondContact O-N 2.04Å; S17-A19 VanDerWaalsContact O-N 3.12Å
18S58.5Low74.2Confident78 Ų7892.2 Ų92.255%0.54554%0.542SS..  trans-45.4123.1-179.8-146.20000108.9P16 R20 Q101P16-S18 PolarHBondContact O-N 3.18Å; S18-R20 PolarHBondContact O-N 3.43Å; S18-Q101 PolarHBondContact OG-NE2 3.24Å; S18-Q101 PolarHBondContact OG-OE1 3.01Å
19A58.8Low76Confident67 Ų6791.9 Ų91.955%0.55453%0.529SS*.  trans-50.8117.5-177.200000108.6S17 I21 Q101S17-A19 PolarHBondContact O-N 2.04Å; S17-A19 VanDerWaalsContact O-N 3.12Å; A19-I21 PolarHBondContact O-N 3.11Å; A19-Q101 PolarHBondContact O-NE2 3.16Å
20R79.6Confident77.9Confident183 Ų18386.8 Ų86.869%0.69150%0.5SS*.SBendtrans-61.8-28.6-175.5-68.7-173.5-177.4172.6-0.1111.4S18 N58 P59S18-R20 PolarHBondContact O-N 3.43Å; R20-N58 VanDerWaalsContact O-CA 3.27Å; R20-N58 WeakPolarHBondContact O-CA 3.28Å; R20-N58 PolarHBondContact O-OD1 3.05Å; R20-P59 VanDerWaalsContact O-CD 3.26Å; R20-P59 WeakPolarHBondContact O-CD 3.35Å
21I92.2Very high79.6Confident101 Ų10179.8 Ų79.852%0.51846%0.464SS..SBendtrans-103.2129.6178.1-63.5165.4000108.7A19 K56 F57 N58A19-I21 PolarHBondContact O-N 3.11Å; I21-K56 WeakPolarHBondContact CG2-O 3.33Å; I21-F57 HydrophobicContact CG2-CB 4.31Å; I21-N58 HydrophobicContact CG1-CB 4.06Å
22I94.4Very high81.3Confident20 Ų2080.3 Ų80.310%0.10345%0.449CS..  trans-104.3149.5173.455.7168.5000110.4V27 K30 F57 P59I22-V27 HydrophobicContact CD1-CG2 3.6Å; I22-V27 HydrophobicContact CG1-CG2 3.58Å; I22-K30 HydrophobicContact CD1-CD 4.19Å; I22-F57 WeakPolarHBondContact CG1-O 3.48Å; I22-F57 PolarHBondContact N-O 3.07Å; I22-F57 WeakPolarHBondContact O-CB 3.02Å; I22-P59 HydrophobicContact CD1-CG 4.29Å; I22-P59 HydrophobicContact CG1-CG 4.28Å; I22-P59 HydrophobicContact CG2-CG 4.42Å
23G96.6Very high83.2Confident43 Ų4381.2 Ų81.244%0.44344%0.442SS..  trans-65.4149.8-174.400000113.5C25 T26 V27G23-C25 VanDerWaalsContact C-N 3.34Å; G23-C25 PolarHBondContact O-N 3.1Å; G23-T26 WeakPolarHBondContact O-CA 3.37Å; G23-T26 VanDerWaalsContact O-CB 3.29Å; G23-T26 WeakPolarHBondContact O-CB 3.03Å; G23-T26 PolarHBondContact O-N 3.08Å; G23-V27 PolarHBondContact O-N 2.9Å
24R98.1Very high85.1Confident76 Ų7675.5 Ų75.529%0.28742%0.417SS..Hα-helixtrans-46.8-51.2179.4178.6179.458.787.2-0.2113.2T26 V27 A28 V48 F57 W139 D141 C143R24-T26 VanDerWaalsContact C-N 3.32Å; R24-T26 PolarHBondContact O-N 3.39Å; R24-V27 WeakPolarHBondContact O-CB 3.41Å; R24-V27 PolarHBondContact O-N 2.82Å; R24-A28 PolarHBondContact O-N 3.48Å; R24-V48 HydrophobicContact CG-CG1 3.95Å; R24-F57 HydrophobicContact CB-CD2 4.46Å; R24-F57 HydrophobicContact CB-CE2 3.75Å; R24-F57 HydrophobicContact CB-CZ 4.05Å; R24-F57 HydrophobicContact CG-CE2 4.14Å; R24-F57 HydrophobicContact CG-CZ 3.96Å; R24-W139 WeakPolarHBondContact CD-O 3.37Å; R24-W139 HydrophobicContact CG-CE3 4.36Å; R24-W139 VanDerWaalsContact NH1-C 3.26Å; R24-W139 PolarHBondContact NH1-O 3.06Å; R24-D141 PolarHBondContact NH1-O 3.1Å; R24-D141 PolarHBondContact NH2-O 3.04Å; R24-C143 PolarHBondContact NH1-SG 3.05Å
25C98.6Very high87Confident41 Ų4171 Ų7128%0.27740%0.397SS..Hα-helixtrans-71.1-27.2-179.6-62.90000113.4G23 K29 C143G23-C25 VanDerWaalsContact C-N 3.34Å; G23-C25 PolarHBondContact O-N 3.1Å; C25-K29 WeakPolarHBondContact O-CB 3.39Å; C25-K29 PolarHBondContact O-N 3.21Å; C25-C143 WeakPolarHBondContact CA-SG 3.43Å; C25-C143 HydrophobicContact CB-CB 3.7Å; C25-C143 WeakPolarHBondContact CB-SG 3.25Å; C25-C143 WeakPolarHBondContact SG-CA 3.44Å; C25-C143 WeakPolarHBondContact SG-CB 3.38Å; C25-C143 CovalentContact SG-SG 2.05Å; C25-C143 PolarHBondContact SG-SG 3.04Å
26T98Very high89.1Confident70 Ų7063 Ų6343%0.42936%0.362SS..Hα-helixtrans-67.4-42.2171.5-53.30000110.8G23 R24 K30G23-T26 WeakPolarHBondContact O-CA 3.37Å; G23-T26 VanDerWaalsContact O-CB 3.29Å; G23-T26 WeakPolarHBondContact O-CB 3.03Å; G23-T26 PolarHBondContact O-N 3.08Å; R24-T26 VanDerWaalsContact C-N 3.32Å; R24-T26 PolarHBondContact O-N 3.39Å; T26-K30 HydrophobicContact CG2-CD 4.28Å; T26-K30 WeakPolarHBondContact O-CG 3.38Å; T26-K30 PolarHBondContact O-N 3.11Å
27V98.3Very high91.2Very high0 Ų059.6 Ų59.60%034%0.34CS..Hα-helixtrans-59.4-54.4171.6174.20000109.7I22 G23 R24 K29 K30 L31 A51 F57 L75I22-V27 HydrophobicContact CD1-CG2 3.6Å; I22-V27 HydrophobicContact CG1-CG2 3.58Å; G23-V27 PolarHBondContact O-N 2.9Å; R24-V27 WeakPolarHBondContact O-CB 3.41Å; R24-V27 PolarHBondContact O-N 2.82Å; V27-K29 VanDerWaalsContact C-N 3.3Å; V27-K29 PolarHBondContact O-N 3.3Å; V27-K30 PolarHBondContact O-N 3.46Å; V27-K30 VanDerWaalsContact O-N 3.09Å; V27-L31 HydrophobicContact CG1-CD1 3.53Å; V27-L31 HydrophobicContact CG1-CG 4Å; V27-L31 VanDerWaalsContact O-CG 3.28Å; V27-L31 WeakPolarHBondContact O-CG 3.33Å; V27-L31 PolarHBondContact O-N 3.42Å; V27-A51 HydrophobicContact CG1-CB 4.18Å; V27-F57 HydrophobicContact CB-CD1 4.26Å; V27-F57 HydrophobicContact CG1-CD1 4.18Å; V27-F57 HydrophobicContact CG1-CE1 4.38Å; V27-F57 HydrophobicContact CG2-CB 3.91Å; V27-F57 HydrophobicContact CG2-CD1 3.8Å; V27-F57 HydrophobicContact CG2-CG 4.03Å; V27-L75 HydrophobicContact CG1-CD2 4.1Å; V27-L75 HydrophobicContact CG2-CD1 4.46Å
28A98.8Very high93.2Very high0 Ų062.3 Ų62.30%033%0.334CS..Hα-helixtrans-52.8-47.5-179.800000112.3R24 K30 L31 H32 V48 L140 L145R24-A28 PolarHBondContact O-N 3.48Å; A28-K30 PolarHBondContact O-N 3.26Å; A28-L31 PolarHBondContact O-N 3.31Å; A28-H32 VanDerWaalsContact O-CB 3.26Å; A28-H32 WeakPolarHBondContact O-CB 3.42Å; A28-H32 PolarHBondContact O-N 3.37Å; A28-V48 HydrophobicContact CB-CG2 3.79Å; A28-L140 HydrophobicContact CB-CD2 3.41Å; A28-L140 VanDerWaalsContact CB-CD2 3.41Å; A28-L145 HydrophobicContact CB-CD2 3.78Å
29K98.7Very high95.1Very high89 Ų8960.8 Ų60.839%0.38732%0.317SS..Hα-helixtrans-61.6-44.8177.6-174.3170.2-173.1170.80112.6C25 V27 H32 Q33 L145C25-K29 WeakPolarHBondContact O-CB 3.39Å; C25-K29 PolarHBondContact O-N 3.21Å; V27-K29 VanDerWaalsContact C-N 3.3Å; V27-K29 PolarHBondContact O-N 3.3Å; K29-H32 WeakPolarHBondContact O-CB 3.07Å; K29-H32 PolarHBondContact O-N 2.05Å; K29-Q33 HydrophobicContact CG-CG 4.42Å; K29-Q33 WeakPolarHBondContact O-CB 3.19Å; K29-Q33 WeakPolarHBondContact O-CG 3.43Å; K29-Q33 PolarHBondContact O-N 3.16Å; K29-L145 HydrophobicContact CB-CD2 4.45Å
30K98.4Very high97Very high58 Ų5862.3 Ų62.325%0.25231%0.312SS..Hα-helixtrans-64-42.4177.9-74.7171.6172.8-78.40112.2I22 T26 V27 A28 Q33 G34 Q101 L103I22-K30 HydrophobicContact CD1-CD 4.19Å; T26-K30 HydrophobicContact CG2-CD 4.28Å; T26-K30 WeakPolarHBondContact O-CG 3.38Å; T26-K30 PolarHBondContact O-N 3.11Å; V27-K30 PolarHBondContact O-N 3.46Å; V27-K30 VanDerWaalsContact O-N 3.09Å; A28-K30 PolarHBondContact O-N 3.26Å; K30-Q33 PolarHBondContact O-N 2.89Å; K30-G34 PolarHBondContact O-N 3.45Å; K30-Q101 VanDerWaalsContact CE-O 3.31Å; K30-Q101 WeakPolarHBondContact CE-O 3.31Å; K30-Q101 PolarHBondContact NZ-O 3.44Å; K30-L103 HydrophobicContact CB-CD1 3.93Å; K30-L103 HydrophobicContact CD-CD1 3.92Å; K30-L103 HydrophobicContact CD-CG 4.45Å
31L98.8Very high97.8Very high0 Ų056.6 Ų56.60%031%0.31CS..Hα-helixtrans-68.3-38.2177.8-60.9178.8000111.5V27 A28 G34 G35 L36 L44 W47 V48 L75 F76 L103 I107V27-L31 HydrophobicContact CG1-CD1 3.53Å; V27-L31 HydrophobicContact CG1-CG 4Å; V27-L31 VanDerWaalsContact O-CG 3.28Å; V27-L31 WeakPolarHBondContact O-CG 3.33Å; V27-L31 PolarHBondContact O-N 3.42Å; A28-L31 PolarHBondContact O-N 3.31Å; L31-G34 PolarHBondContact O-N 2.93Å; L31-G35 PolarHBondContact O-N 2.94Å; L31-L36 HydrophobicContact CB-CD1 4.16Å; L31-L36 HydrophobicContact CD2-CD1 3.71Å; L31-L36 HydrophobicContact CG-CD1 4.42Å; L31-L36 WeakPolarHBondContact O-CB 3.23Å; L31-L36 PolarHBondContact O-N 3.25Å; L31-L44 HydrophobicContact CB-CD1 3.72Å; L31-W47 HydrophobicContact CD1-CB 3.9Å; L31-V48 HydrophobicContact CD1-CG2 4.23Å; L31-L75 HydrophobicContact CD2-CD2 4.23Å; L31-F76 HydrophobicContact CD1-CZ 4.01Å; L31-F76 HydrophobicContact CD2-CE2 3.92Å; L31-F76 HydrophobicContact CD2-CZ 3.7Å; L31-L103 HydrophobicContact CD2-CD1 4.3Å; L31-I107 HydrophobicContact CD2-CD1 4.18Å; L31-I107 HydrophobicContact CD2-CG1 4.14Å
32H98.6Very high98.1Very high75 Ų7554.1 Ų54.135%0.34730%0.295SS..Hα-helixtrans-59.7-52.8172.117972.3000111.3A28 K29 G34 G35 T37 L44 L145A28-H32 VanDerWaalsContact O-CB 3.26Å; A28-H32 WeakPolarHBondContact O-CB 3.42Å; A28-H32 PolarHBondContact O-N 3.37Å; K29-H32 WeakPolarHBondContact O-CB 3.07Å; K29-H32 PolarHBondContact O-N 2.05Å; H32-G34 VanDerWaalsContact C-N 3.25Å; H32-G34 PolarHBondContact O-N 2.98Å; H32-G35 WeakPolarHBondContact O-CA 3.4Å; H32-G35 PolarHBondContact O-N 3.47Å; H32-T37 PolarHBondContact ND1-OG1 2.94Å; H32-L44 HydrophobicContact CB-CD1 4.37Å; H32-L44 HydrophobicContact CB-CD2 3.83Å; H32-L145 HydrophobicContact CB-CD2 4.5Å
33Q98.5Very high98.3Very high132 Ų13254 Ų5462%0.61730%0.296SS*.Hα-helixtrans-61.9-31.9177.5-72.1175.2-24.700112.8K29 K30 G35K29-Q33 HydrophobicContact CG-CG 4.42Å; K29-Q33 WeakPolarHBondContact O-CB 3.19Å; K29-Q33 WeakPolarHBondContact O-CG 3.43Å; K29-Q33 PolarHBondContact O-N 3.16Å; K30-Q33 PolarHBondContact O-N 2.89Å; Q33-G35 PolarHBondContact O-N 3.14Å
34G98.4Very high98.4Very high22 Ų2252.1 Ų52.123%0.22728%0.276CS..THydrogen-bonded Turntrans-74.60.8172.100000114.5K30 L31 H32 K111K30-G34 PolarHBondContact O-N 3.45Å; L31-G34 PolarHBondContact O-N 2.93Å; H32-G34 VanDerWaalsContact C-N 3.25Å; H32-G34 PolarHBondContact O-N 2.98Å; G34-K111 WeakPolarHBondContact O-CE 3.47Å; G34-K111 PolarHBondContact O-NZ 3.28Å
35G98.4Very high98.5Very high37 Ų3750.4 Ų50.438%0.38127%0.271SS..THydrogen-bonded Turntrans70.139.5176.700000113.3L31 H32 Q33 K111L31-G35 PolarHBondContact O-N 2.94Å; H32-G35 WeakPolarHBondContact O-CA 3.4Å; H32-G35 PolarHBondContact O-N 3.47Å; Q33-G35 PolarHBondContact O-N 3.14Å; G35-K111 WeakPolarHBondContact O-CE 3.32Å; G35-K111 PolarHBondContact O-NZ 3.46Å
36L98.8Very high98.5Very high0 Ų049.3 Ų49.30%026%0.262CS..  trans-92.7-8.6171.9-67.9177.3000113.4L31 Y38 Y39 W47 I107 V110 K111L31-L36 HydrophobicContact CB-CD1 4.16Å; L31-L36 HydrophobicContact CD2-CD1 3.71Å; L31-L36 HydrophobicContact CG-CD1 4.42Å; L31-L36 WeakPolarHBondContact O-CB 3.23Å; L31-L36 PolarHBondContact O-N 3.25Å; L36-Y38 PolarHBondContact O-N 3.14Å; L36-Y38 VanDerWaalsContact O-N 3.11Å; L36-Y39 HydrophobicContact CD2-CD1 4.37Å; L36-Y39 HydrophobicContact CD2-CG 4.33Å; L36-Y39 PolarHBondContact O-N 3.22Å; L36-Y39 VanDerWaalsContact O-N 3.16Å; L36-W47 HydrophobicContact CB-CD2 4.25Å; L36-W47 HydrophobicContact CB-CG 4.14Å; L36-W47 HydrophobicContact CD1-CD2 4.08Å; L36-W47 HydrophobicContact CD1-CE3 4.13Å; L36-W47 HydrophobicContact CD1-CG 4.39Å; L36-W47 HydrophobicContact CD2-CD2 4.47Å; L36-W47 HydrophobicContact CD2-CH2 4.11Å; L36-W47 HydrophobicContact CD2-CZ2 3.89Å; L36-W47 PolarHBondContact O-NE1 3.08Å; L36-I107 HydrophobicContact CD1-CG1 4.12Å; L36-I107 HydrophobicContact CD1-CG2 4.15Å; L36-I107 HydrophobicContact CD2-CG2 4.24Å; L36-I107 HydrophobicContact CG-CG2 4.05Å; L36-V110 HydrophobicContact CD1-CG2 4.28Å; L36-V110 HydrophobicContact CD2-CG2 4.35Å; L36-K111 HydrophobicContact CD2-CD 4.35Å; L36-K111 HydrophobicContact CD2-CG 3.73Å
37T98.4Very high98.5Very high50 Ų5046 Ų4631%0.30724%0.242SC..THydrogen-bonded Turntrans-61114.2174.2-46.40000109.9H32 Y39 L44H32-T37 PolarHBondContact ND1-OG1 2.94Å; T37-Y39 PolarHBondContact O-N 3.16Å; T37-L44 HydrophobicContact CG2-CB 4.39Å
38Y98.2Very high98.5Very high167 Ų16746 Ų4666%0.65524%0.242SC*.THydrogen-bonded Turntrans59.520.1-176.2-62.8-69.9000115.2L36 E40 G41 Y42L36-Y38 PolarHBondContact O-N 3.14Å; L36-Y38 VanDerWaalsContact O-N 3.11Å; Y38-E40 PolarHBondContact O-N 2.49Å; Y38-G41 PolarHBondContact O-N 2.91Å; Y38-G41 VanDerWaalsContact O-N 3.13Å; Y38-Y42 CarbonylContact C-O 3.53Å; Y38-Y42 WeakPolarHBondContact CA-O 3.09Å; Y38-Y42 PolarHBondContact N-O 2.93Å
39Y98.6Very high98.5Very high45 Ų4546 Ų4618%0.17624%0.242CC..BIsolated β-bridgetrans-66.2125.6175.1-170.9-96.9000110.4L36 T37 G41 Y42 W47 K111 V114 K115L36-Y39 HydrophobicContact CD2-CD1 4.37Å; L36-Y39 HydrophobicContact CD2-CG 4.33Å; L36-Y39 PolarHBondContact O-N 3.22Å; L36-Y39 VanDerWaalsContact O-N 3.16Å; T37-Y39 PolarHBondContact O-N 3.16Å; Y39-G41 PolarHBondContact O-N 3.1Å; Y39-G41 VanDerWaalsContact O-N 3.16Å; Y39-Y42 PolarHBondContact O-N 3.4Å; Y39-Y42 VanDerWaalsContact O-N 3.1Å; Y39-W47 HydrophobicContact CD1-CZ2 4.33Å; Y39-K111 HydrophobicContact CD1-CG 3.96Å; Y39-K111 HydrophobicContact CD2-CD 4.3Å; Y39-K111 HydrophobicContact CD2-CG 4.42Å; Y39-K111 HydrophobicContact CE1-CB 3.68Å; Y39-K111 HydrophobicContact CE1-CD 4.27Å; Y39-K111 HydrophobicContact CE1-CG 3.53Å; Y39-K111 HydrophobicContact CE2-CD 3.85Å; Y39-K111 HydrophobicContact CE2-CG 4.04Å; Y39-K111 HydrophobicContact CG-CG 4.38Å; Y39-K111 WeakPolarHBondContact OH-CB 3.09Å; Y39-V114 HydrophobicContact CD1-CG2 3.73Å; Y39-V114 HydrophobicContact CE1-CG2 3.61Å; Y39-K115 WeakPolarHBondContact OH-CE 3.29Å; Y39-K115 PolarHBondContact OH-NZ 3.38Å
40E98Very high98.5Very high99 Ų9941.7 Ų41.746%0.46322%0.223SC..THydrogen-bonded Turntrans51.331-171.8-57.1-62.1153.200113.1Y38 Y42 V114 K115Y38-E40 PolarHBondContact O-N 2.49Å; E40-Y42 VanDerWaalsContact C-N 3.33Å; E40-Y42 HydrophobicContact CB-CD2 4.15Å; E40-Y42 HydrophobicContact CB-CE2 4.26Å; E40-Y42 WeakPolarHBondContact O-CD2 3.28Å; E40-Y42 PolarHBondContact O-N 2.98Å; E40-V114 HydrophobicContact CB-CG2 4.43Å; E40-V114 HydrophobicContact CG-CG2 4.02Å; E40-K115 HydrophobicContact CG-CG 4.22Å; E40-K115 VanDerWaalsContact OE1-CE 3.25Å; E40-K115 WeakPolarHBondContact OE1-CE 3.42Å; E40-K115 WeakPolarHBondContact OE1-CG 3.42Å
41G97.7Very high98.5Very high63 Ų6339 Ų3965%0.64921%0.211SC*.THydrogen-bonded Turntrans83.2-1.317900000115.4Y38 Y39Y38-G41 PolarHBondContact O-N 2.91Å; Y38-G41 VanDerWaalsContact O-N 3.13Å; Y39-G41 PolarHBondContact O-N 3.1Å; Y39-G41 VanDerWaalsContact O-N 3.16Å
42Y98.5Very high98.5Very high49 Ų4943.1 Ų43.119%0.19223%0.228CC..BIsolated β-bridgetrans-88.6122.8179.3-61.1-73000112.1Y38 Y39 E40 G119 M120 W126Y38-Y42 CarbonylContact C-O 3.53Å; Y38-Y42 WeakPolarHBondContact CA-O 3.09Å; Y38-Y42 PolarHBondContact N-O 2.93Å; Y39-Y42 PolarHBondContact O-N 3.4Å; Y39-Y42 VanDerWaalsContact O-N 3.1Å; E40-Y42 VanDerWaalsContact C-N 3.33Å; E40-Y42 HydrophobicContact CB-CD2 4.15Å; E40-Y42 HydrophobicContact CB-CE2 4.26Å; E40-Y42 WeakPolarHBondContact O-CD2 3.28Å; E40-Y42 PolarHBondContact O-N 2.98Å; Y42-G119 WeakPolarHBondContact OH-CA 3.04Å; Y42-M120 HydrophobicContact CD1-CB 4.24Å; Y42-M120 HydrophobicContact CD1-CG 3.81Å; Y42-M120 HydrophobicContact CD1-SD 3.45Å; Y42-M120 WeakPolarHBondContact CD1-SD 3.13Å; Y42-M120 HydrophobicContact CD2-CG 3.7Å; Y42-M120 HydrophobicContact CD2-SD 3.97Å; Y42-M120 HydrophobicContact CE1-CB 3.84Å; Y42-M120 HydrophobicContact CE1-CG 3.84Å; Y42-M120 HydrophobicContact CE1-SD 4.05Å; Y42-M120 HydrophobicContact CE2-CB 4.23Å; Y42-M120 HydrophobicContact CE2-CG 3.72Å; Y42-M120 HydrophobicContact CE2-SD 4.5Å; Y42-M120 HydrophobicContact CG-CG 3.73Å; Y42-M120 HydrophobicContact CG-SD 3.4Å; Y42-M120 PolarHBondContact OH-N 3.3Å; Y42-M120 VanDerWaalsContact OH-N 3.08Å; Y42-W126 HydrophobicContact CD1-CH2 4.5Å; Y42-W126 AromaticContact CD1-CZ2 3.94Å; Y42-W126 HydrophobicContact CD1-CZ2 3.94Å; Y42-W126 AromaticContact CE1-CH2 3.68Å; Y42-W126 HydrophobicContact CE1-CH2 3.68Å; Y42-W126 AromaticContact CE1-CZ2 3.56Å; Y42-W126 HydrophobicContact CE1-CZ2 3.56Å
43S98.5Very high98.5Very high17 Ų1742.6 Ų42.612%0.11923%0.225CC..  trans-63.2159.3177.182.90000112E45 N46 W47S43-E45 WeakPolarHBondContact CB-OE2 3.33Å; S43-E45 PolarHBondContact O-N 3.42Å; S43-E45 PolarHBondContact OG-OE2 3.45Å; S43-N46 WeakPolarHBondContact O-CB 3.44Å; S43-N46 PolarHBondContact O-N 3.26Å; S43-N46 VanDerWaalsContact O-N 3.1Å; S43-N46 PolarHBondContact OG-ND2 3.33Å; S43-W47 VanDerWaalsContact O-CD1 3.24Å
44L98.8Very high98.5Very high4 Ų437.8 Ų37.82%0.02120%0.202CC..Hα-helixtrans-60.9-34.1-179-178.264.4000112.3L31 H32 T37 N46 W47 V48 L140 L145L31-L44 HydrophobicContact CB-CD1 3.72Å; H32-L44 HydrophobicContact CB-CD1 4.37Å; H32-L44 HydrophobicContact CB-CD2 3.83Å; T37-L44 HydrophobicContact CG2-CB 4.39Å; L44-N46 VanDerWaalsContact C-N 3.29Å; L44-N46 PolarHBondContact O-N 3.47Å; L44-W47 WeakPolarHBondContact O-CB 3.37Å; L44-W47 PolarHBondContact O-N 3.1Å; L44-W47 VanDerWaalsContact O-N 3.16Å; L44-V48 HydrophobicContact CG-CG2 4.45Å; L44-V48 WeakPolarHBondContact O-CG2 3.31Å; L44-V48 PolarHBondContact O-N 3.49Å; L44-L140 HydrophobicContact CB-CD1 4.14Å; L44-L140 HydrophobicContact CD2-CD1 3.96Å; L44-L140 HydrophobicContact CD2-CD2 4.04Å; L44-L140 HydrophobicContact CG-CD1 4.24Å; L44-L140 HydrophobicContact CG-CD2 4.33Å; L44-L145 HydrophobicContact CD2-CD1 3.51Å; L44-L145 HydrophobicContact CD2-CD2 4.17Å; L44-L145 HydrophobicContact CD2-CG 4.5Å
45E98.7Very high98.5Very high40 Ų4036.8 Ų36.819%0.18719%0.191CC..Hα-helixtrans-59.8-36.8176-57.978.1178.500112.5S43 W47 V48 C49 L136 W139 L140S43-E45 WeakPolarHBondContact CB-OE2 3.33Å; S43-E45 PolarHBondContact O-N 3.42Å; S43-E45 PolarHBondContact OG-OE2 3.45Å; E45-W47 VanDerWaalsContact C-N 3.3Å; E45-W47 PolarHBondContact O-N 2.8Å; E45-V48 PolarHBondContact O-N 3.34Å; E45-C49 VanDerWaalsContact O-CB 3.23Å; E45-C49 WeakPolarHBondContact O-CB 3.47Å; E45-C49 PolarHBondContact O-N 3.03Å; E45-L136 HydrophobicContact CB-CD1 4.31Å; E45-L136 HydrophobicContact CB-CD2 4.13Å; E45-L136 HydrophobicContact CB-CG 3.68Å; E45-L136 WeakPolarHBondContact CB-O 3.38Å; E45-L136 WeakPolarHBondContact CG-O 3.41Å; E45-W139 HydrophobicContact CB-CB 4.19Å; E45-W139 HydrophobicContact CG-CB 4.49Å; E45-L140 HydrophobicContact CG-CD1 3.8Å; E45-L140 HydrophobicContact CG-CG 3.9Å; E45-L140 VanDerWaalsContact OE1-CD1 3.28Å; E45-L140 WeakPolarHBondContact OE1-CD1 3.33Å
46N98.8Very high98.5Very high18 Ų1839.1 Ų39.110%0.09619%0.191CC..Hα-helixtrans-59.6-44.8175.1-82.6-78.8000110.9S43 L44 C49 L50 M120 W126 L136S43-N46 WeakPolarHBondContact O-CB 3.44Å; S43-N46 PolarHBondContact O-N 3.26Å; S43-N46 VanDerWaalsContact O-N 3.1Å; S43-N46 PolarHBondContact OG-ND2 3.33Å; L44-N46 VanDerWaalsContact C-N 3.29Å; L44-N46 PolarHBondContact O-N 3.47Å; N46-C49 PolarHBondContact O-N 2.99Å; N46-L50 WeakPolarHBondContact O-CB 3.33Å; N46-L50 PolarHBondContact O-N 2.95Å; N46-M120 HydrophobicContact CB-CE 4.21Å; N46-M120 HydrophobicContact CB-SD 3.8Å; N46-W126 PolarHBondContact OD1-NE1 3.43Å; N46-L136 WeakPolarHBondContact ND2-CD2 3.5Å
47W98.8Very high98.4Very high0 Ų039.9 Ų39.90%019%0.194CC..Hα-helixtrans-66.5-41.7178.3-63.2102.7000112.4L31 L36 Y39 S43 L44 E45 L50 A51 F76 V110 V114 M120L31-W47 HydrophobicContact CD1-CB 3.9Å; L36-W47 HydrophobicContact CB-CD2 4.25Å; L36-W47 HydrophobicContact CB-CG 4.14Å; L36-W47 HydrophobicContact CD1-CD2 4.08Å; L36-W47 HydrophobicContact CD1-CE3 4.13Å; L36-W47 HydrophobicContact CD1-CG 4.39Å; L36-W47 HydrophobicContact CD2-CD2 4.47Å; L36-W47 HydrophobicContact CD2-CH2 4.11Å; L36-W47 HydrophobicContact CD2-CZ2 3.89Å; L36-W47 PolarHBondContact O-NE1 3.08Å; Y39-W47 HydrophobicContact CD1-CZ2 4.33Å; S43-W47 VanDerWaalsContact O-CD1 3.24Å; L44-W47 WeakPolarHBondContact O-CB 3.37Å; L44-W47 PolarHBondContact O-N 3.1Å; L44-W47 VanDerWaalsContact O-N 3.16Å; E45-W47 VanDerWaalsContact C-N 3.3Å; E45-W47 PolarHBondContact O-N 2.8Å; W47-L50 PolarHBondContact O-N 3.3Å; W47-A51 WeakPolarHBondContact O-CB 3.43Å; W47-A51 PolarHBondContact O-N 3.04Å; W47-F76 HydrophobicContact CE3-CE1 4.35Å; W47-F76 HydrophobicContact CE3-CZ 4.15Å; W47-F76 WeakPolarHBondContact O-CE1 3.35Å; W47-V110 HydrophobicContact CH2-CB 4.35Å; W47-V110 HydrophobicContact CH2-CG2 4.14Å; W47-V110 HydrophobicContact CZ3-CB 3.92Å; W47-V110 HydrophobicContact CZ3-CG2 3.73Å; W47-V114 HydrophobicContact CH2-CB 4.24Å; W47-V114 HydrophobicContact CH2-CG1 3.44Å; W47-V114 VanDerWaalsContact CH2-CG1 3.44Å; W47-V114 HydrophobicContact CH2-CG2 3.85Å; W47-V114 HydrophobicContact CZ2-CG1 4.2Å; W47-V114 HydrophobicContact CZ2-CG2 4.16Å; W47-V114 HydrophobicContact CZ3-CG1 4.16Å; W47-M120 HydrophobicContact CD2-CE 3.82Å; W47-M120 HydrophobicContact CD2-SD 4.36Å; W47-M120 HydrophobicContact CE3-CE 3.67Å; W47-M120 HydrophobicContact CG-CE 4.31Å; W47-M120 HydrophobicContact CZ2-SD 4.48Å; W47-M120 HydrophobicContact CZ3-CE 4.07Å
48V98.8Very high98.4Very high0 Ų038.4 Ų38.40%019%0.185CC..Hα-helixtrans-66.1-41.5176.2179.30000110.7R24 A28 L31 L44 E45 A51 Y52 F57 W139 L140R24-V48 HydrophobicContact CG-CG1 3.95Å; A28-V48 HydrophobicContact CB-CG2 3.79Å; L31-V48 HydrophobicContact CD1-CG2 4.23Å; L44-V48 HydrophobicContact CG-CG2 4.45Å; L44-V48 WeakPolarHBondContact O-CG2 3.31Å; L44-V48 PolarHBondContact O-N 3.49Å; E45-V48 PolarHBondContact O-N 3.34Å; V48-A51 PolarHBondContact O-N 3.1Å; V48-Y52 PolarHBondContact O-N 2.89Å; V48-Y52 VanDerWaalsContact O-N 3.14Å; V48-F57 HydrophobicContact CG1-CE1 3.93Å; V48-F57 HydrophobicContact CG1-CZ 3.94Å; V48-F57 VanDerWaalsContact O-CE1 3.31Å; V48-F57 WeakPolarHBondContact O-CE1 3.27Å; V48-W139 HydrophobicContact CB-CB 4.16Å; V48-W139 HydrophobicContact CG1-CB 4Å; V48-W139 HydrophobicContact CG1-CD2 4.24Å; V48-W139 HydrophobicContact CG1-CE3 3.78Å; V48-W139 HydrophobicContact CG1-CG 4.36Å; V48-L140 HydrophobicContact CG2-CD2 4.21Å
49C98.8Very high98.4Very high0 Ų030.5 Ų30.50%015%0.154CC..Hα-helixtrans-58.6-51.4174.5-175.30000111.5E45 N46 A51 Y52 F53 C130 L136 W139E45-C49 VanDerWaalsContact O-CB 3.23Å; E45-C49 WeakPolarHBondContact O-CB 3.47Å; E45-C49 PolarHBondContact O-N 3.03Å; N46-C49 PolarHBondContact O-N 2.99Å; C49-A51 PolarHBondContact O-N 2.64Å; C49-Y52 WeakPolarHBondContact O-CB 3.39Å; C49-Y52 PolarHBondContact O-N 3.07Å; C49-Y52 VanDerWaalsContact O-N 3.14Å; C49-F53 WeakPolarHBondContact O-CD2 3.42Å; C49-F53 PolarHBondContact O-N 3.12Å; C49-F53 VanDerWaalsContact O-N 3.1Å; C49-C130 VanDerWaalsContact C-SG 3.56Å; C49-C130 HydrophobicContact CB-CB 3.82Å; C49-C130 WeakPolarHBondContact CB-SG 3.42Å; C49-C130 VanDerWaalsContact SG-CA 3.58Å; C49-C130 WeakPolarHBondContact SG-CB 3.34Å; C49-C130 CovalentContact SG-SG 2.04Å; C49-C130 PolarHBondContact SG-SG 3.42Å; C49-L136 HydrophobicContact CB-CD1 3.94Å; C49-W139 HydrophobicContact CB-CD2 4.32Å; C49-W139 HydrophobicContact CB-CG 4.26Å; C49-W139 HydrophobicContact CB-CZ2 4.38Å; C49-W139 VanDerWaalsContact CB-NE1 3.32Å; C49-W139 PolarHBondContact SG-NE1 2.86Å; C49-W139 VanDerWaalsContact SG-NE1 3.43Å
50L98.8Very high98.3Very high0 Ų030.7 Ų30.70%016%0.16CC..Hα-helixtrans-56.8-48.1177.617465.2000111.2N46 W47 Y52 F53 E54 F76 M120 W123 W126N46-L50 WeakPolarHBondContact O-CB 3.33Å; N46-L50 PolarHBondContact O-N 2.95Å; W47-L50 PolarHBondContact O-N 3.3Å; L50-Y52 PolarHBondContact O-N 2.9Å; L50-F53 PolarHBondContact O-N 3Å; L50-F53 VanDerWaalsContact O-N 3.16Å; L50-E54 HydrophobicContact CD1-CG 3.49Å; L50-E54 VanDerWaalsContact CD1-CG 3.49Å; L50-E54 HydrophobicContact CG-CG 4.12Å; L50-E54 WeakPolarHBondContact O-CB 3.05Å; L50-E54 WeakPolarHBondContact O-CG 3.36Å; L50-E54 PolarHBondContact O-N 2.97Å; L50-F76 HydrophobicContact CD2-CD1 3.79Å; L50-F76 HydrophobicContact CD2-CE1 4.16Å; L50-F76 HydrophobicContact CG-CD1 3.88Å; L50-F76 HydrophobicContact CG-CE1 4.27Å; L50-M120 HydrophobicContact CB-CE 3.92Å; L50-M120 HydrophobicContact CD2-CE 3.56Å; L50-M120 HydrophobicContact CG-CE 4.36Å; L50-W123 HydrophobicContact CD1-CB 3.52Å; L50-W123 HydrophobicContact CD1-CD2 4.22Å; L50-W123 HydrophobicContact CD1-CG 3.58Å; L50-W123 HydrophobicContact CD2-CD2 3.82Å; L50-W123 HydrophobicContact CD2-CE3 4Å; L50-W123 HydrophobicContact CD2-CG 4.08Å; L50-W123 HydrophobicContact CD2-CZ3 4.47Å; L50-W123 HydrophobicContact CG-CG 4.46Å; L50-W126 HydrophobicContact CD1-CB 3.83Å
51A98.7Very high98.3Very high0 Ų026.1 Ų26.10%014%0.139CC..Hα-helixtrans-57.3-35.6178.900000113V27 W47 V48 C49 S55 K56 F57 L75 F76V27-A51 HydrophobicContact CG1-CB 4.18Å; W47-A51 WeakPolarHBondContact O-CB 3.43Å; W47-A51 PolarHBondContact O-N 3.04Å; V48-A51 PolarHBondContact O-N 3.1Å; C49-A51 PolarHBondContact O-N 2.64Å; A51-S55 PolarHBondContact O-N 2.92Å; A51-S55 VanDerWaalsContact O-N 3.16Å; A51-S55 PolarHBondContact O-OG 3.25Å; A51-S55 VanDerWaalsContact O-OG 3.08Å; A51-K56 PolarHBondContact O-N 2.81Å; A51-F57 HydrophobicContact CB-CD1 3.88Å; A51-F57 HydrophobicContact CB-CE1 4Å; A51-F57 PolarHBondContact O-N 3.21Å; A51-L75 HydrophobicContact CB-CD1 4.05Å; A51-L75 HydrophobicContact CB-CD2 4.06Å; A51-L75 HydrophobicContact CB-CG 3.82Å; A51-F76 HydrophobicContact CB-CD1 4.24Å; A51-F76 HydrophobicContact CB-CE1 3.69Å; A51-F76 HydrophobicContact CB-CZ 4.39Å
52Y98.6Very high98.2Very high88 Ų8826.3 Ų26.335%0.34513%0.127SC..Hα-helixtrans-70.5-44.9176.3-179.2-102.5000112.7V48 C49 L50 K56 F57 W139V48-Y52 PolarHBondContact O-N 2.89Å; V48-Y52 VanDerWaalsContact O-N 3.14Å; C49-Y52 WeakPolarHBondContact O-CB 3.39Å; C49-Y52 PolarHBondContact O-N 3.07Å; C49-Y52 VanDerWaalsContact O-N 3.14Å; L50-Y52 PolarHBondContact O-N 2.9Å; Y52-K56 HydrophobicContact CD2-CD 4.17Å; Y52-K56 HydrophobicContact CE1-CD 4.22Å; Y52-K56 VanDerWaalsContact CE1-NZ 3.33Å; Y52-K56 HydrophobicContact CE2-CD 3.79Å; Y52-K56 WeakPolarHBondContact O-CA 3.32Å; Y52-K56 WeakPolarHBondContact O-CD 3.42Å; Y52-K56 PolarHBondContact O-N 2.87Å; Y52-K56 PolarHBondContact O-NZ 3.08Å; Y52-K56 VanDerWaalsContact O-NZ 3.14Å; Y52-F57 HydrophobicContact CD2-CD2 4Å; Y52-F57 AromaticContact CD2-CE2 3.58Å; Y52-F57 HydrophobicContact CD2-CE2 3.58Å; Y52-F57 AromaticContact CD2-CZ 3.92Å; Y52-F57 HydrophobicContact CD2-CZ 3.92Å; Y52-F57 HydrophobicContact CE2-CE2 4.46Å; Y52-F57 HydrophobicContact CG-CE2 4.32Å; Y52-F57 HydrophobicContact CG-CZ 4.2Å; Y52-W139 VanDerWaalsContact CB-CH2 3.47Å; Y52-W139 AromaticContact CD1-CH2 3.44Å; Y52-W139 HydrophobicContact CD1-CH2 3.44Å; Y52-W139 VanDerWaalsContact CD1-CH2 3.44Å; Y52-W139 HydrophobicContact CD1-CZ2 4.14Å; Y52-W139 HydrophobicContact CD1-CZ3 4.37Å; Y52-W139 HydrophobicContact CD2-CH2 4.05Å; Y52-W139 HydrophobicContact CD2-CZ3 4.21Å; Y52-W139 HydrophobicContact CE1-CH2 4.13Å; Y52-W139 AromaticContact CG-CH2 3.37Å; Y52-W139 HydrophobicContact CG-CH2 3.37Å; Y52-W139 HydrophobicContact CG-CZ2 4.34Å; Y52-W139 AromaticContact CG-CZ3 3.86Å; Y52-W139 HydrophobicContact CG-CZ3 3.86Å
53F98.4Very high98.1Very high64 Ų6429 Ų2928%0.28114%0.138SC..Hα-helixtrans-72.5-32.3-177.6-80-75.8000112.5C49 L50 F129 W139C49-F53 WeakPolarHBondContact O-CD2 3.42Å; C49-F53 PolarHBondContact O-N 3.12Å; C49-F53 VanDerWaalsContact O-N 3.1Å; L50-F53 PolarHBondContact O-N 3Å; L50-F53 VanDerWaalsContact O-N 3.16Å; F53-F129 HydrophobicContact CB-CD2 4.45Å; F53-F129 HydrophobicContact CD1-CB 4.01Å; F53-F129 HydrophobicContact CD1-CD1 4.4Å; F53-F129 AromaticContact CD1-CD2 3.54Å; F53-F129 HydrophobicContact CD1-CD2 3.54Å; F53-F129 HydrophobicContact CD1-CE2 4.06Å; F53-F129 AromaticContact CD1-CG 3.74Å; F53-F129 HydrophobicContact CD1-CG 3.74Å; F53-F129 HydrophobicContact CD2-CB 3.71Å; F53-F129 HydrophobicContact CD2-CG 4.36Å; F53-F129 HydrophobicContact CE1-CB 3.85Å; F53-F129 AromaticContact CE1-CD1 3.86Å; F53-F129 HydrophobicContact CE1-CD1 3.86Å; F53-F129 AromaticContact CE1-CD2 3.86Å; F53-F129 HydrophobicContact CE1-CD2 3.86Å; F53-F129 HydrophobicContact CE1-CE1 4.36Å; F53-F129 HydrophobicContact CE1-CE2 4.37Å; F53-F129 AromaticContact CE1-CG 3.59Å; F53-F129 HydrophobicContact CE1-CG 3.59Å; F53-F129 HydrophobicContact CE2-CB 3.54Å; F53-F129 HydrophobicContact CE2-CG 4.24Å; F53-F129 HydrophobicContact CG-CB 3.95Å; F53-F129 AromaticContact CG-CD2 3.94Å; F53-F129 HydrophobicContact CG-CD2 3.94Å; F53-F129 HydrophobicContact CG-CG 4.14Å; F53-F129 HydrophobicContact CZ-CB 3.61Å; F53-F129 HydrophobicContact CZ-CD1 4.14Å; F53-F129 AromaticContact CZ-CG 3.87Å; F53-F129 HydrophobicContact CZ-CG 3.87Å; F53-W139 HydrophobicContact CE2-CZ2 4.14Å
54E98.1Very high98Very high30 Ų3033.7 Ų33.714%0.1416%0.162CC..Hα-helixtrans-76.1-46.4177.7-73.3-59.1156.700113.4L50 Y63 Q77 W123 T125L50-E54 HydrophobicContact CD1-CG 3.49Å; L50-E54 VanDerWaalsContact CD1-CG 3.49Å; L50-E54 HydrophobicContact CG-CG 4.12Å; L50-E54 WeakPolarHBondContact O-CB 3.05Å; L50-E54 WeakPolarHBondContact O-CG 3.36Å; L50-E54 PolarHBondContact O-N 2.97Å; E54-Y63 WeakPolarHBondContact O-CE2 3.33Å; E54-Q77 HydrophobicContact CB-CB 4.29Å; E54-Q77 HydrophobicContact CB-CG 3.88Å; E54-Q77 WeakPolarHBondContact O-CG 3.23Å; E54-Q77 VanDerWaalsContact OE2-CB 3.24Å; E54-Q77 WeakPolarHBondContact OE2-CB 3.31Å; E54-Q77 WeakPolarHBondContact OE2-CG 3.49Å; E54-W123 VanDerWaalsContact OE1-CD1 3.31Å; E54-T125 WeakPolarHBondContact OE1-CB 3.43Å; E54-T125 WeakPolarHBondContact OE1-CG2 3.46Å; E54-T125 PolarHBondContact OE1-OG1 3.34Å
55S98.1Very high97.7Very high1 Ų136 Ų361%0.00717%0.174CC..Hα-helixtrans-134.81.1-168.867.50000115.4A51 F57 N58 L75A51-S55 PolarHBondContact O-N 2.92Å; A51-S55 VanDerWaalsContact O-N 3.16Å; A51-S55 PolarHBondContact O-OG 3.25Å; A51-S55 VanDerWaalsContact O-OG 3.08Å; S55-F57 PolarHBondContact O-N 2.78Å; S55-F57 PolarHBondContact OG-N 2.8Å; S55-N58 VanDerWaalsContact O-CB 3.23Å; S55-N58 WeakPolarHBondContact O-CB 3.26Å; S55-N58 PolarHBondContact O-N 3.29Å; S55-N58 VanDerWaalsContact O-N 3.11Å; S55-N58 PolarHBondContact OG-N 3.17Å; S55-L75 WeakPolarHBondContact CB-O 3.28Å; S55-L75 WeakPolarHBondContact OG-CA 3.35Å; S55-L75 PolarHBondContact OG-O 2.98Å
56K97.9Very high97.3Very high87 Ų8737.7 Ų37.738%0.37820%0.195SC..THydrogen-bonded Turntrans53.739-169.3-52.2-67.1162.2-146.30111.7I21 A51 Y52 N58I21-K56 WeakPolarHBondContact CG2-O 3.33Å; A51-K56 PolarHBondContact O-N 2.81Å; Y52-K56 HydrophobicContact CD2-CD 4.17Å; Y52-K56 HydrophobicContact CE1-CD 4.22Å; Y52-K56 VanDerWaalsContact CE1-NZ 3.33Å; Y52-K56 HydrophobicContact CE2-CD 3.79Å; Y52-K56 WeakPolarHBondContact O-CA 3.32Å; Y52-K56 WeakPolarHBondContact O-CD 3.42Å; Y52-K56 PolarHBondContact O-N 2.87Å; Y52-K56 PolarHBondContact O-NZ 3.08Å; Y52-K56 VanDerWaalsContact O-NZ 3.14Å; K56-N58 VanDerWaalsContact C-N 3.29Å; K56-N58 PolarHBondContact O-N 3.09Å
57F98.3Very high96.8Very high15 Ų1543.4 Ų43.47%0.06623%0.233CC..THydrogen-bonded Turntrans63.726.9-176.9-51-50.7000115.2I21 I22 R24 V27 V48 A51 Y52 S55 P59 W139I21-F57 HydrophobicContact CG2-CB 4.31Å; I22-F57 WeakPolarHBondContact CG1-O 3.48Å; I22-F57 PolarHBondContact N-O 3.07Å; I22-F57 WeakPolarHBondContact O-CB 3.02Å; R24-F57 HydrophobicContact CB-CD2 4.46Å; R24-F57 HydrophobicContact CB-CE2 3.75Å; R24-F57 HydrophobicContact CB-CZ 4.05Å; R24-F57 HydrophobicContact CG-CE2 4.14Å; R24-F57 HydrophobicContact CG-CZ 3.96Å; V27-F57 HydrophobicContact CB-CD1 4.26Å; V27-F57 HydrophobicContact CG1-CD1 4.18Å; V27-F57 HydrophobicContact CG1-CE1 4.38Å; V27-F57 HydrophobicContact CG2-CB 3.91Å; V27-F57 HydrophobicContact CG2-CD1 3.8Å; V27-F57 HydrophobicContact CG2-CG 4.03Å; V48-F57 HydrophobicContact CG1-CE1 3.93Å; V48-F57 HydrophobicContact CG1-CZ 3.94Å; V48-F57 VanDerWaalsContact O-CE1 3.31Å; V48-F57 WeakPolarHBondContact O-CE1 3.27Å; A51-F57 HydrophobicContact CB-CD1 3.88Å; A51-F57 HydrophobicContact CB-CE1 4Å; A51-F57 PolarHBondContact O-N 3.21Å; Y52-F57 HydrophobicContact CD2-CD2 4Å; Y52-F57 AromaticContact CD2-CE2 3.58Å; Y52-F57 HydrophobicContact CD2-CE2 3.58Å; Y52-F57 AromaticContact CD2-CZ 3.92Å; Y52-F57 HydrophobicContact CD2-CZ 3.92Å; Y52-F57 HydrophobicContact CE2-CE2 4.46Å; Y52-F57 HydrophobicContact CG-CE2 4.32Å; Y52-F57 HydrophobicContact CG-CZ 4.2Å; S55-F57 PolarHBondContact O-N 2.78Å; S55-F57 PolarHBondContact OG-N 2.8Å; F57-P59 WeakPolarHBondContact O-CD 3.35Å; F57-W139 HydrophobicContact CE2-CZ3 4.23Å; F57-W139 HydrophobicContact CZ-CE3 4.08Å; F57-W139 AromaticContact CZ-CZ3 3.66Å; F57-W139 HydrophobicContact CZ-CZ3 3.66Å
58N98Very high96.1Very high20 Ų2045.6 Ų45.611%0.10726%0.255CS..  trans-93.7101175.2-179.7-8.7000111R20 I21 S55 K56 T60 A61R20-N58 VanDerWaalsContact O-CA 3.27Å; R20-N58 WeakPolarHBondContact O-CA 3.28Å; R20-N58 PolarHBondContact O-OD1 3.05Å; I21-N58 HydrophobicContact CG1-CB 4.06Å; S55-N58 VanDerWaalsContact O-CB 3.23Å; S55-N58 WeakPolarHBondContact O-CB 3.26Å; S55-N58 PolarHBondContact O-N 3.29Å; S55-N58 VanDerWaalsContact O-N 3.11Å; S55-N58 PolarHBondContact OG-N 3.17Å; K56-N58 VanDerWaalsContact C-N 3.29Å; K56-N58 PolarHBondContact O-N 3.09Å; N58-T60 PolarHBondContact O-N 3.42Å; N58-T60 VanDerWaalsContact O-N 3.09Å; N58-T60 VanDerWaalsContact OD1-C 3.3Å; N58-T60 WeakPolarHBondContact OD1-CA 3.37Å; N58-T60 PolarHBondContact OD1-N 2.92Å; N58-T60 PolarHBondContact OD1-OG1 2.85Å; N58-A61 HydrophobicContact CB-CB 3.93Å; N58-A61 WeakPolarHBondContact O-CB 3.4Å; N58-A61 PolarHBondContact O-N 3.31Å; N58-A61 VanDerWaalsContact O-N 3.17Å; N58-A61 PolarHBondContact OD1-N 2.86Å; N58-A61 VanDerWaalsContact OD1-N 3.08Å
59P97.1Very high95.8Very high0 Ų048.5 Ų48.50%029%0.285CS..THydrogen-bonded Turntrans-64.5-11.1177.924.9-37.7000114.5R20 I22 F57 G74 L99 Q101 L103R20-P59 VanDerWaalsContact O-CD 3.26Å; R20-P59 WeakPolarHBondContact O-CD 3.35Å; I22-P59 HydrophobicContact CD1-CG 4.29Å; I22-P59 HydrophobicContact CG1-CG 4.28Å; I22-P59 HydrophobicContact CG2-CG 4.42Å; F57-P59 WeakPolarHBondContact O-CD 3.35Å; P59-G74 WeakPolarHBondContact O-CA 3.26Å; P59-L99 WeakPolarHBondContact O-CA 3.21Å; P59-Q101 HydrophobicContact CG-CB 4.33Å; P59-Q101 HydrophobicContact CG-CG 3.7Å; P59-L103 HydrophobicContact CB-CD2 3.88Å
60T96.9Very high95.5Very high49 Ų4951.2 Ų51.230%0.30130%0.296SS..THydrogen-bonded Turntrans-112.513.1179.659.50000112.7N58N58-T60 PolarHBondContact O-N 3.42Å; N58-T60 VanDerWaalsContact O-N 3.09Å; N58-T60 VanDerWaalsContact OD1-C 3.3Å; N58-T60 WeakPolarHBondContact OD1-CA 3.37Å; N58-T60 PolarHBondContact OD1-N 2.92Å; N58-T60 PolarHBondContact OD1-OG1 2.85Å
61A97.2Very high95.4Very high3 Ų352.7 Ų52.73%0.02531%0.305CS..  trans-66138.8179.100000111.8N58 Y63 G74 Q77N58-A61 HydrophobicContact CB-CB 3.93Å; N58-A61 WeakPolarHBondContact O-CB 3.4Å; N58-A61 PolarHBondContact O-N 3.31Å; N58-A61 VanDerWaalsContact O-N 3.17Å; N58-A61 PolarHBondContact OD1-N 2.86Å; N58-A61 VanDerWaalsContact OD1-N 3.08Å; A61-Y63 HydrophobicContact CB-CE1 4.48Å; A61-Y63 HydrophobicContact CB-CE2 4.02Å; A61-G74 PolarHBondContact O-N 3.17Å; A61-Q77 PolarHBondContact O-NE2 3.19Å
62V97.4Very high95.3Very high68 Ų6852.7 Ų52.741%0.41231%0.305SS..EExtended strand (participates in β ladder)trans-133.3117172.8-177.40000107.2T71 G72 Y73 L99V62-T71 HydrophobicContact CG1-CG2 3.49Å; V62-T71 VanDerWaalsContact CG1-CG2 3.49Å; V62-G72 WeakPolarHBondContact CA-O 3.34Å; V62-Y73 HydrophobicContact CG1-CE1 4.22Å; V62-Y73 HydrophobicContact CG2-CD1 4.18Å; V62-Y73 HydrophobicContact CG2-CE1 4.41Å; V62-L99 HydrophobicContact CG2-CD1 3.76Å; V62-L99 HydrophobicContact CG2-CD2 3.73Å; V62-L99 HydrophobicContact CG2-CG 4.42Å
63Y96.6Very high95.3Very high105 Ų10550.8 Ų50.841%0.41230%0.298SS..EExtended strand (participates in β ladder)trans-124.3127.8177.9-56.3-43.8000110.5E54 A61 N65 G72 Q77E54-Y63 WeakPolarHBondContact O-CE2 3.33Å; A61-Y63 HydrophobicContact CB-CE1 4.48Å; A61-Y63 HydrophobicContact CB-CE2 4.02Å; Y63-N65 PolarHBondContact O-ND2 3.13Å; Y63-G72 PolarHBondContact N-O 2.84Å; Y63-G72 PolarHBondContact O-N 3.29Å; Y63-Q77 VanDerWaalsContact CD2-CD 3.41Å; Y63-Q77 HydrophobicContact CD2-CG 4.13Å
64D95.9Very high95.3Very high115 Ų11547.8 Ų47.862%0.61528%0.284SS*.EExtended strand (participates in β ladder)trans-79.6131.2174.3-170.733.9000110.4T71D64-T71 PolarHBondContact OD1-OG1 3.31Å
65N91.5Very high95.3Very high53 Ų5346.3 Ų46.328%0.28328%0.278SS..EExtended strand (participates in β ladder)trans-118.973.1178.2-66.9-82000109.1Y63 P67 G68 G69 Y70Y63-N65 PolarHBondContact O-ND2 3.13Å; N65-P67 VanDerWaalsContact C-CD 3.43Å; N65-P67 VanDerWaalsContact C-N 3.33Å; N65-G68 CarbonylContact O-C 3.54Å; N65-G68 PolarHBondContact O-N 2.75Å; N65-G69 PolarHBondContact O-N 2.84Å; N65-Y70 CarbonylContact C-O 3.49Å; N65-Y70 WeakPolarHBondContact CA-O 3.4Å; N65-Y70 HydrophobicContact CB-CD1 4.38Å; N65-Y70 HydrophobicContact CB-CD2 4.2Å; N65-Y70 HydrophobicContact CB-CE1 4.07Å; N65-Y70 HydrophobicContact CB-CE2 3.86Å; N65-Y70 HydrophobicContact CB-CG 4.44Å; N65-Y70 VanDerWaalsContact CB-O 3.31Å; N65-Y70 WeakPolarHBondContact CB-O 3.24Å; N65-Y70 PolarHBondContact N-O 3.13Å; N65-Y70 VanDerWaalsContact ND2-CE2 3.35Å; N65-Y70 WeakPolarHBondContact ND2-CE2 3.48Å; N65-Y70 PolarHBondContact O-N 2.9Å
66A89.9Confident95.3Very high76 Ų7646.3 Ų46.363%0.62828%0.277SS*.G310 helixtrans-50.7-42.2179.400000114.1G68 G69A66-G68 VanDerWaalsContact C-N 3.26Å; A66-G68 PolarHBondContact O-N 3.27Å; A66-G69 PolarHBondContact O-N 3.37Å; A66-G69 VanDerWaalsContact O-N 3.14Å
67P88.6Confident95.3Very high138 Ų13842.5 Ų42.590%0.89626%0.261SS*.G310 helixtrans-63.2-30.5177.7-23.235000113.9N65N65-P67 VanDerWaalsContact C-CD 3.43Å; N65-P67 VanDerWaalsContact C-N 3.33Å
68G85.2Confident95.3Very high45 Ų4541.9 Ų41.946%0.46426%0.258SS..G310 helixtrans-91.8-7.4177.400000113.8N65 A66 Y70N65-G68 CarbonylContact O-C 3.54Å; N65-G68 PolarHBondContact O-N 2.75Å; A66-G68 VanDerWaalsContact C-N 3.26Å; A66-G68 PolarHBondContact O-N 3.27Å; G68-Y70 VanDerWaalsContact C-N 3.31Å; G68-Y70 WeakPolarHBondContact O-CD1 3.4Å; G68-Y70 PolarHBondContact O-N 3.14Å
69G91.5Very high95.2Very high61 Ų6144.1 Ų44.163%0.62927%0.265SS*.THydrogen-bonded Turntrans64.131.4-177.700000113.9N65 A66N65-G69 PolarHBondContact O-N 2.84Å; A66-G69 PolarHBondContact O-N 3.37Å; A66-G69 VanDerWaalsContact O-N 3.14Å
70Y92.9Very high95Very high57 Ų5746 Ų4622%0.22428%0.279CS..EExtended strand (participates in β ladder)trans-142.6160.2178.570.7-93.8000112.3N65 G68 R79N65-Y70 CarbonylContact C-O 3.49Å; N65-Y70 WeakPolarHBondContact CA-O 3.4Å; N65-Y70 HydrophobicContact CB-CD1 4.38Å; N65-Y70 HydrophobicContact CB-CD2 4.2Å; N65-Y70 HydrophobicContact CB-CE1 4.07Å; N65-Y70 HydrophobicContact CB-CE2 3.86Å; N65-Y70 HydrophobicContact CB-CG 4.44Å; N65-Y70 VanDerWaalsContact CB-O 3.31Å; N65-Y70 WeakPolarHBondContact CB-O 3.24Å; N65-Y70 PolarHBondContact N-O 3.13Å; N65-Y70 VanDerWaalsContact ND2-CE2 3.35Å; N65-Y70 WeakPolarHBondContact ND2-CE2 3.48Å; N65-Y70 PolarHBondContact O-N 2.9Å; G68-Y70 VanDerWaalsContact C-N 3.31Å; G68-Y70 WeakPolarHBondContact O-CD1 3.4Å; G68-Y70 PolarHBondContact O-N 3.14Å; Y70-R79 HydrophobicContact CD1-CG 4.35Å; Y70-R79 HydrophobicContact CD2-CB 3.6Å; Y70-R79 HydrophobicContact CD2-CG 3.48Å; Y70-R79 VanDerWaalsContact CD2-CG 3.48Å; Y70-R79 HydrophobicContact CE1-CG 4.32Å; Y70-R79 HydrophobicContact CE2-CB 4.14Å; Y70-R79 HydrophobicContact CE2-CG 3.47Å; Y70-R79 VanDerWaalsContact CE2-CG 3.47Å; Y70-R79 HydrophobicContact CG-CB 3.87Å; Y70-R79 HydrophobicContact CG-CG 3.96Å; Y70-R79 VanDerWaalsContact CZ-CD 3.48Å
71T96.4Very high94.6Very high31 Ų3147.6 Ų47.619%0.1929%0.285CS..EExtended strand (participates in β ladder)trans-107134.6168.1-52.60000108.7V62 D64 Y73 S80V62-T71 HydrophobicContact CG1-CG2 3.49Å; V62-T71 VanDerWaalsContact CG1-CG2 3.49Å; D64-T71 PolarHBondContact OD1-OG1 3.31Å; T71-Y73 HydrophobicContact CG2-CD2 4.34Å; T71-Y73 HydrophobicContact CG2-CE2 3.6Å; T71-Y73 VanDerWaalsContact O-CD2 3.31Å; T71-Y73 WeakPolarHBondContact O-CD2 3.42Å; T71-Y73 VanDerWaalsContact O-CE2 3.31Å; T71-Y73 WeakPolarHBondContact O-CE2 3.28Å; T71-S80 PolarHBondContact N-OG 3Å; T71-S80 PolarHBondContact O-N 2.98Å; T71-S80 PolarHBondContact O-OG 3.24Å
72G97.2Very high94.1Very high0 Ų050 Ų500%030%0.297CS..EExtended strand (participates in β ladder)trans-91.4137.5176.400000111.3V62 Y63 Q77V62-G72 WeakPolarHBondContact CA-O 3.34Å; Y63-G72 PolarHBondContact N-O 2.84Å; Y63-G72 PolarHBondContact O-N 3.29Å; G72-Q77 PolarHBondContact O-OE1 3.03Å
73Y97.9Very high94Very high49 Ų4947.8 Ų47.819%0.19228%0.282CS..EExtended strand (participates in β ladder)trans-122.7134.8-176.1-66.9-100.7000113.3V62 T71 Q77 I78 C95 L99V62-Y73 HydrophobicContact CG1-CE1 4.22Å; V62-Y73 HydrophobicContact CG2-CD1 4.18Å; V62-Y73 HydrophobicContact CG2-CE1 4.41Å; T71-Y73 HydrophobicContact CG2-CD2 4.34Å; T71-Y73 HydrophobicContact CG2-CE2 3.6Å; T71-Y73 VanDerWaalsContact O-CD2 3.31Å; T71-Y73 WeakPolarHBondContact O-CD2 3.42Å; T71-Y73 VanDerWaalsContact O-CE2 3.31Å; T71-Y73 WeakPolarHBondContact O-CE2 3.28Å; Y73-Q77 WeakPolarHBondContact O-CA 3.43Å; Y73-Q77 PolarHBondContact O-N 3.18Å; Y73-I78 PolarHBondContact N-O 3.1Å; Y73-I78 PolarHBondContact O-N 3.39Å; Y73-C95 HydrophobicContact CD1-CB 3.61Å; Y73-C95 HydrophobicContact CD2-CB 3.79Å; Y73-C95 HydrophobicContact CE1-CB 3.67Å; Y73-C95 HydrophobicContact CE2-CB 3.87Å; Y73-C95 HydrophobicContact CG-CB 3.67Å; Y73-L99 HydrophobicContact CD1-CD1 4.25Å; Y73-L99 HydrophobicContact CD1-CD2 4.1Å; Y73-L99 HydrophobicContact CD1-CG 4.28Å
74G97.9Very high93.9Very high0 Ų042.9 Ų42.90%026%0.263CS..THydrogen-bonded Turntrans70.8-160.2168.900000114.2P59 A61 F76 Q77P59-G74 WeakPolarHBondContact O-CA 3.26Å; A61-G74 PolarHBondContact O-N 3.17Å; G74-F76 PolarHBondContact O-N 3.39Å; G74-F76 VanDerWaalsContact O-N 3.13Å; G74-Q77 PolarHBondContact O-N 3.02Å; G74-Q77 VanDerWaalsContact O-N 3.13Å; G74-Q77 PolarHBondContact O-NE2 3.39Å
75L98.4Very high93.7Very high0 Ų038.1 Ų38.10%024%0.241CC..THydrogen-bonded Turntrans-56-35.9-169.5-170.870.2000113.8V27 L31 A51 S55 L103 T106V27-L75 HydrophobicContact CG1-CD2 4.1Å; V27-L75 HydrophobicContact CG2-CD1 4.46Å; L31-L75 HydrophobicContact CD2-CD2 4.23Å; A51-L75 HydrophobicContact CB-CD1 4.05Å; A51-L75 HydrophobicContact CB-CD2 4.06Å; A51-L75 HydrophobicContact CB-CG 3.82Å; S55-L75 WeakPolarHBondContact CB-O 3.28Å; S55-L75 WeakPolarHBondContact OG-CA 3.35Å; S55-L75 PolarHBondContact OG-O 2.98Å; L75-L103 HydrophobicContact CB-CD2 3.91Å; L75-L103 HydrophobicContact CD2-CD1 3.66Å; L75-L103 HydrophobicContact CD2-CD2 3.82Å; L75-L103 HydrophobicContact CD2-CG 4.42Å; L75-L103 HydrophobicContact CG-CD2 4.42Å; L75-T106 HydrophobicContact CB-CG2 4.26Å
76F98.5Very high93Very high0 Ų043.7 Ų43.70%027%0.265CS..THydrogen-bonded Turntrans-111.915-176.3-61.1-61.9000113.2L31 W47 L50 A51 G74 I78 T106 V110 W123L31-F76 HydrophobicContact CD1-CZ 4.01Å; L31-F76 HydrophobicContact CD2-CE2 3.92Å; L31-F76 HydrophobicContact CD2-CZ 3.7Å; W47-F76 HydrophobicContact CE3-CE1 4.35Å; W47-F76 HydrophobicContact CE3-CZ 4.15Å; W47-F76 WeakPolarHBondContact O-CE1 3.35Å; L50-F76 HydrophobicContact CD2-CD1 3.79Å; L50-F76 HydrophobicContact CD2-CE1 4.16Å; L50-F76 HydrophobicContact CG-CD1 3.88Å; L50-F76 HydrophobicContact CG-CE1 4.27Å; A51-F76 HydrophobicContact CB-CD1 4.24Å; A51-F76 HydrophobicContact CB-CE1 3.69Å; A51-F76 HydrophobicContact CB-CZ 4.39Å; G74-F76 PolarHBondContact O-N 3.39Å; G74-F76 VanDerWaalsContact O-N 3.13Å; F76-I78 VanDerWaalsContact C-N 3.29Å; F76-I78 HydrophobicContact CB-CG1 4.41Å; F76-I78 PolarHBondContact O-N 2.78Å; F76-T106 HydrophobicContact CD2-CG2 3.53Å; F76-T106 HydrophobicContact CE2-CG2 4.07Å; F76-V110 HydrophobicContact CB-CG1 3.95Å; F76-V110 HydrophobicContact CD2-CB 4.43Å; F76-V110 HydrophobicContact CD2-CG1 3.41Å; F76-V110 VanDerWaalsContact CD2-CG1 3.41Å; F76-V110 HydrophobicContact CD2-CG2 4.32Å; F76-V110 HydrophobicContact CE2-CG1 4.12Å; F76-V110 HydrophobicContact CE2-CG2 4.2Å; F76-V110 HydrophobicContact CG-CG1 3.9Å; F76-W123 HydrophobicContact CB-CZ2 4.26Å; F76-W123 PolarHBondContact O-NE1 3.17Å
77Q98.1Very high92.2Very high8 Ų843.7 Ų43.74%0.03727%0.272CS..THydrogen-bonded Turntrans48.148.9177.2-64.4-62.6-66.400113.5E54 A61 Y63 G72 Y73 G74 R79E54-Q77 HydrophobicContact CB-CB 4.29Å; E54-Q77 HydrophobicContact CB-CG 3.88Å; E54-Q77 WeakPolarHBondContact O-CG 3.23Å; E54-Q77 VanDerWaalsContact OE2-CB 3.24Å; E54-Q77 WeakPolarHBondContact OE2-CB 3.31Å; E54-Q77 WeakPolarHBondContact OE2-CG 3.49Å; A61-Q77 PolarHBondContact O-NE2 3.19Å; Y63-Q77 VanDerWaalsContact CD2-CD 3.41Å; Y63-Q77 HydrophobicContact CD2-CG 4.13Å; G72-Q77 PolarHBondContact O-OE1 3.03Å; Y73-Q77 WeakPolarHBondContact O-CA 3.43Å; Y73-Q77 PolarHBondContact O-N 3.18Å; G74-Q77 PolarHBondContact O-N 3.02Å; G74-Q77 VanDerWaalsContact O-N 3.13Å; G74-Q77 PolarHBondContact O-NE2 3.39Å; Q77-R79 PolarHBondContact O-N 3.16Å
78I97.7Very high91.4Very high2 Ų247.3 Ų47.31%0.0127%0.274CS..EExtended strand (participates in β ladder)trans-63.3129.8-179.6-66.3162.6000109.1Y73 F76 W83 L98 T106 C109 V110 I113Y73-I78 PolarHBondContact N-O 3.1Å; Y73-I78 PolarHBondContact O-N 3.39Å; F76-I78 VanDerWaalsContact C-N 3.29Å; F76-I78 HydrophobicContact CB-CG1 4.41Å; F76-I78 PolarHBondContact O-N 2.78Å; I78-W83 HydrophobicContact CG2-CB 3.42Å; I78-W83 VanDerWaalsContact CG2-CB 3.42Å; I78-W83 HydrophobicContact CG2-CG 4.2Å; I78-L98 HydrophobicContact CB-CD1 3.76Å; I78-L98 HydrophobicContact CD1-CD1 3.82Å; I78-L98 HydrophobicContact CD1-CD2 4.08Å; I78-L98 HydrophobicContact CD1-CG 4.49Å; I78-L98 HydrophobicContact CG1-CD1 4.39Å; I78-L98 HydrophobicContact CG2-CD1 3.73Å; I78-T106 HydrophobicContact CD1-CG2 4.21Å; I78-C109 HydrophobicContact CD1-CB 3.99Å; I78-V110 HydrophobicContact CD1-CG1 4.09Å; I78-V110 HydrophobicContact CG1-CG1 4.37Å; I78-I113 HydrophobicContact CG1-CD1 4.24Å; I78-I113 HydrophobicContact CG2-CD1 4.42Å
79R95.6Very high91.6Very high67 Ų6745.6 Ų45.625%0.25325%0.254SS..EExtended strand (participates in β ladder)trans-78.9133.9-170.5-46.4-169.5-68.2-125.3-0.5112.9Y70 Q77 N81 D82 W83Y70-R79 HydrophobicContact CD1-CG 4.35Å; Y70-R79 HydrophobicContact CD2-CB 3.6Å; Y70-R79 HydrophobicContact CD2-CG 3.48Å; Y70-R79 VanDerWaalsContact CD2-CG 3.48Å; Y70-R79 HydrophobicContact CE1-CG 4.32Å; Y70-R79 HydrophobicContact CE2-CB 4.14Å; Y70-R79 HydrophobicContact CE2-CG 3.47Å; Y70-R79 VanDerWaalsContact CE2-CG 3.47Å; Y70-R79 HydrophobicContact CG-CB 3.87Å; Y70-R79 HydrophobicContact CG-CG 3.96Å; Y70-R79 VanDerWaalsContact CZ-CD 3.48Å; Q77-R79 PolarHBondContact O-N 3.16Å; R79-N81 VanDerWaalsContact C-N 3.35Å; R79-N81 VanDerWaalsContact CB-OD1 3.31Å; R79-N81 WeakPolarHBondContact CB-OD1 3.45Å; R79-N81 PolarHBondContact O-N 2.84Å; R79-D82 IonicContact CZ-OD2 3.43Å; R79-D82 IonicContact NE-OD2 3.24Å; R79-D82 PolarHBondContact NE-OD2 3.29Å; R79-D82 IonicContact NH2-OD2 2.79Å; R79-D82 PolarHBondContact NH2-OD2 3.49Å; R79-W83 PolarHBondContact O-N 3.14Å; R79-W83 VanDerWaalsContact O-N 3.12Å
80S94.1Very high91.7Very high40 Ų4049.8 Ų49.828%0.2825%0.251SS..THydrogen-bonded Turntrans-70.6-18.8179.452.10000116.5T71 C84T71-S80 PolarHBondContact N-OG 3Å; T71-S80 PolarHBondContact O-N 2.98Å; T71-S80 PolarHBondContact O-OG 3.24Å; S80-C84 CarbonylContact C-O 3.58Å
81N87.4Confident91.8Very high82 Ų8247.9 Ų47.944%0.43925%0.246SC..THydrogen-bonded Turntrans-81-26.8-178.259.3-11.9000112.9R79R79-N81 VanDerWaalsContact C-N 3.35Å; R79-N81 VanDerWaalsContact CB-OD1 3.31Å; R79-N81 WeakPolarHBondContact CB-OD1 3.45Å; R79-N81 PolarHBondContact O-N 2.84Å
82D87.9Confident91.7Very high52 Ų5254.6 Ų54.628%0.27828%0.275SS..THydrogen-bonded Turntrans-116.3-38.3-172.2-63.3-37000113.4R79 R90R79-D82 IonicContact CZ-OD2 3.43Å; R79-D82 IonicContact NE-OD2 3.24Å; R79-D82 PolarHBondContact NE-OD2 3.29Å; R79-D82 IonicContact NH2-OD2 2.79Å; R79-D82 PolarHBondContact NH2-OD2 3.49Å; D82-R90 WeakPolarHBondContact O-CG 3.45Å; D82-R90 PolarHBondContact O-N 2.87Å
83W95.3Very high91.5Very high22 Ų2255.6 Ų55.68%0.08328%0.281CS..THydrogen-bonded Turntrans-115.3-30.4-157.8-61.7110.4000114.6I78 R79 S89 R90 C91 I112 I113I78-W83 HydrophobicContact CG2-CB 3.42Å; I78-W83 VanDerWaalsContact CG2-CB 3.42Å; I78-W83 HydrophobicContact CG2-CG 4.2Å; R79-W83 PolarHBondContact O-N 3.14Å; R79-W83 VanDerWaalsContact O-N 3.12Å; W83-S89 PolarHBondContact O-OG 3.08Å; W83-R90 HydrophobicContact CE3-CB 3.61Å; W83-R90 HydrophobicContact CE3-CG 4.41Å; W83-R90 HydrophobicContact CZ3-CB 3.83Å; W83-R90 HydrophobicContact CZ3-CG 4.43Å; W83-C91 WeakPolarHBondContact O-CB 3.37Å; W83-C91 PolarHBondContact O-N 3.2Å; W83-I112 HydrophobicContact CZ3-CG2 4.24Å; W83-I113 HydrophobicContact CD2-CD1 3.9Å; W83-I113 HydrophobicContact CD2-CG1 3.56Å; W83-I113 HydrophobicContact CE3-CD1 4.26Å; W83-I113 HydrophobicContact CE3-CG1 3.52Å; W83-I113 HydrophobicContact CG-CD1 4.01Å; W83-I113 HydrophobicContact CG-CG1 4.22Å; W83-I113 HydrophobicContact CH2-CB 4.17Å; W83-I113 HydrophobicContact CH2-CG1 3.84Å; W83-I113 HydrophobicContact CH2-CG2 4.23Å; W83-I113 HydrophobicContact CZ2-CB 4.29Å; W83-I113 HydrophobicContact CZ2-CG1 3.89Å; W83-I113 HydrophobicContact CZ2-CG2 3.94Å; W83-I113 HydrophobicContact CZ3-CB 4.36Å; W83-I113 HydrophobicContact CZ3-CG1 3.66Å
84C95Very high91.4Very high3 Ų356.8 Ų56.82%0.0229%0.288CS..SBendtrans-140.9162.2-179.766.80000111.7S80 S89 T93 C95 L98S80-C84 CarbonylContact C-O 3.58Å; C84-S89 WeakPolarHBondContact CA-OG 3.09Å; C84-T93 CarbonylContact C-O 3.59Å; C84-T93 WeakPolarHBondContact CA-O 3.19Å; C84-T93 HydrophobicContact CB-CG2 4.28Å; C84-C95 HydrophobicContact CB-CB 3.97Å; C84-C95 WeakPolarHBondContact CB-SG 3.35Å; C84-C95 PolarHBondContact O-SG 2.98Å; C84-C95 WeakPolarHBondContact SG-CA 3.31Å; C84-C95 WeakPolarHBondContact SG-CB 3.49Å; C84-C95 CovalentContact SG-SG 2.05Å; C84-C95 PolarHBondContact SG-SG 2.88Å; C84-L98 HydrophobicContact CB-CD1 3.73Å
85G90Very high91.3Very high15 Ų1557.3 Ų57.316%0.15529%0.292CS..SBendtrans108.3-178.7176.400000113.3G87 S89 T93 C95G85-G87 PolarHBondContact O-N 3.02Å; G85-S89 WeakPolarHBondContact O-CB 3.5Å; G85-T93 PolarHBondContact N-O 3.08Å; G85-C95 PolarHBondContact N-SG 3.47Å
86H76.9Confident91.2Very high170 Ų17061.4 Ų61.479%0.78732%0.321SS*.SBendtrans-61.9133.8-173.9-61.2-47000112.6E94H86-E94 IonicContact CE1-OE1 3.48Å; H86-E94 PolarHBondContact CE1-OE1 3.09Å; H86-E94 IonicContact CE1-OE2 3.29Å; H86-E94 PolarHBondContact CE1-OE2 3.06Å; H86-E94 VanDerWaalsContact CE1-OE2 3.29Å; H86-E94 IonicContact CG-OE1 3.88Å; H86-E94 IonicContact CG-OE2 3.82Å; H86-E94 PolarHBondContact N-OE2 3.43Å; H86-E94 IonicContact ND1-OE1 2.82Å; H86-E94 PolarHBondContact ND1-OE1 3.5Å; H86-E94 IonicContact ND1-OE2 3.12Å; H86-E94 PolarHBondContact ND1-OE2 3.23Å; H86-E94 VanDerWaalsContact ND1-OE2 3.12Å
87G73.5Confident91.1Very high75 Ų7563 Ų6377%0.77333%0.334SS*.SBendtrans97.3-130173.800000114.4G85 S89G85-G87 PolarHBondContact O-N 3.02Å; G87-S89 PolarHBondContact O-N 2.92Å
88K72.3Confident91Very high214 Ų21462.7 Ų62.793%0.9333%0.332SS*.SBendtrans-80.638.6-171-63.8-176.8179.5178.70113.8R90K88-R90 PolarHBondContact O-N 3.14Å
89S89.1Confident91Very high9 Ų965.1 Ų65.16%0.06335%0.345CS..  trans-60127176.1143.30000110.8W83 C84 G85 G87 C91 H92 T93W83-S89 PolarHBondContact O-OG 3.08Å; C84-S89 WeakPolarHBondContact CA-OG 3.09Å; G85-S89 WeakPolarHBondContact O-CB 3.5Å; G87-S89 PolarHBondContact O-N 2.92Å; S89-C91 VanDerWaalsContact C-N 3.3Å; S89-C91 PolarHBondContact O-N 3.22Å; S89-C91 PolarHBondContact OG-N 3.5Å; S89-H92 PolarHBondContact O-N 2.82Å; S89-H92 PolarHBondContact OG-N 3.09Å; S89-H92 VanDerWaalsContact OG-N 3.1Å; S89-T93 PolarHBondContact OG-N 3.14Å; S89-T93 PolarHBondContact OG-O 3.12Å
90R94.1Very high90.9Very high150 Ų15066.1 Ų66.157%0.56636%0.355SS*.THydrogen-bonded Turntrans-67.4-25.6179.3-69.2176.8177.6-174.70.8114.2D82 W83 K88 H92D82-R90 WeakPolarHBondContact O-CG 3.45Å; D82-R90 PolarHBondContact O-N 2.87Å; W83-R90 HydrophobicContact CE3-CB 3.61Å; W83-R90 HydrophobicContact CE3-CG 4.41Å; W83-R90 HydrophobicContact CZ3-CB 3.83Å; W83-R90 HydrophobicContact CZ3-CG 4.43Å; K88-R90 PolarHBondContact O-N 3.14Å; R90-H92 VanDerWaalsContact C-N 3.31Å
91C95.6Very high90.9Very high16 Ų1667 Ų6711%0.10836%0.355CS..THydrogen-bonded Turntrans-90.34.6173.4-61.20000113.2W83 S89 T93 C109 I112W83-C91 WeakPolarHBondContact O-CB 3.37Å; W83-C91 PolarHBondContact O-N 3.2Å; S89-C91 VanDerWaalsContact C-N 3.3Å; S89-C91 PolarHBondContact O-N 3.22Å; S89-C91 PolarHBondContact OG-N 3.5Å; C91-T93 HydrophobicContact CB-CG2 4.04Å; C91-T93 PolarHBondContact O-N 3.3Å; C91-T93 VanDerWaalsContact O-N 3.15Å; C91-C109 HydrophobicContact CB-CB 3.59Å; C91-C109 WeakPolarHBondContact CB-SG 3.29Å; C91-C109 WeakPolarHBondContact SG-CA 3.42Å; C91-C109 WeakPolarHBondContact SG-CB 3.5Å; C91-C109 CovalentContact SG-SG 2.03Å; C91-C109 PolarHBondContact SG-SG 3.19Å; C91-I112 HydrophobicContact CB-CD1 4.4Å
92H93.4Very high91.2Very high172 Ų17267.6 Ų67.680%0.79636%0.358SS*.  trans46.542.8-177.9-57.1-71.1000113.6S89 R90S89-H92 PolarHBondContact O-N 2.82Å; S89-H92 PolarHBondContact OG-N 3.09Å; S89-H92 VanDerWaalsContact OG-N 3.1Å; R90-H92 VanDerWaalsContact C-N 3.31Å
93T93.4Very high91.6Very high21 Ų2165.1 Ų65.113%0.12935%0.345CS..SBendtrans-144.6149.3-176.4-158.10000111.8C84 G85 S89 C91 L98C84-T93 CarbonylContact C-O 3.59Å; C84-T93 WeakPolarHBondContact CA-O 3.19Å; C84-T93 HydrophobicContact CB-CG2 4.28Å; G85-T93 PolarHBondContact N-O 3.08Å; S89-T93 PolarHBondContact OG-N 3.14Å; S89-T93 PolarHBondContact OG-O 3.12Å; C91-T93 HydrophobicContact CB-CG2 4.04Å; C91-T93 PolarHBondContact O-N 3.3Å; C91-T93 VanDerWaalsContact O-N 3.15Å; T93-L98 HydrophobicContact CG2-CD2 3.97Å; T93-L98 HydrophobicContact CG2-CG 4.35Å
94E95.1Very high91.7Very high75 Ų7569.4 Ų69.435%0.3537%0.366SS..  trans-73142.6172.3-66.9-59.9157.100110.5H86 S96 A97H86-E94 IonicContact CE1-OE1 3.48Å; H86-E94 PolarHBondContact CE1-OE1 3.09Å; H86-E94 IonicContact CE1-OE2 3.29Å; H86-E94 PolarHBondContact CE1-OE2 3.06Å; H86-E94 VanDerWaalsContact CE1-OE2 3.29Å; H86-E94 IonicContact CG-OE1 3.88Å; H86-E94 IonicContact CG-OE2 3.82Å; H86-E94 PolarHBondContact N-OE2 3.43Å; H86-E94 IonicContact ND1-OE1 2.82Å; H86-E94 PolarHBondContact ND1-OE1 3.5Å; H86-E94 IonicContact ND1-OE2 3.12Å; H86-E94 PolarHBondContact ND1-OE2 3.23Å; H86-E94 VanDerWaalsContact ND1-OE2 3.12Å; E94-S96 PolarHBondContact O-N 2.89Å; E94-A97 VanDerWaalsContact O-CB 3.29Å; E94-A97 WeakPolarHBondContact O-CB 3.42Å; E94-A97 PolarHBondContact O-N 2.91Å
95C96.5Very high91.9Very high10 Ų1073.5 Ų73.57%0.06838%0.384CS..G310 helixtrans-61.5-29.7-178.2-64.30000113.1Y73 C84 G85 A97 L98Y73-C95 HydrophobicContact CD1-CB 3.61Å; Y73-C95 HydrophobicContact CD2-CB 3.79Å; Y73-C95 HydrophobicContact CE1-CB 3.67Å; Y73-C95 HydrophobicContact CE2-CB 3.87Å; Y73-C95 HydrophobicContact CG-CB 3.67Å; C84-C95 HydrophobicContact CB-CB 3.97Å; C84-C95 WeakPolarHBondContact CB-SG 3.35Å; C84-C95 PolarHBondContact O-SG 2.98Å; C84-C95 WeakPolarHBondContact SG-CA 3.31Å; C84-C95 WeakPolarHBondContact SG-CB 3.49Å; C84-C95 CovalentContact SG-SG 2.05Å; C84-C95 PolarHBondContact SG-SG 2.88Å; G85-C95 PolarHBondContact N-SG 3.47Å; C95-A97 PolarHBondContact O-N 3.39Å; C95-L98 WeakPolarHBondContact O-CB 3.4Å; C95-L98 PolarHBondContact O-N 2.93Å; C95-L98 VanDerWaalsContact O-N 3.13Å
96S95.6Very high92.3Very high87 Ų8772.9 Ų72.961%0.60838%0.377SS*.G310 helixtrans-62.5-29.5174.657.50000112.9E94 L98 L99E94-S96 PolarHBondContact O-N 2.89Å; S96-L98 PolarHBondContact O-N 3.33Å; S96-L99 WeakPolarHBondContact O-CB 3.31Å; S96-L99 PolarHBondContact O-N 3.33Å; S96-L99 VanDerWaalsContact O-N 3.14Å
97A95.8Very high93.3Very high34 Ų3465.3 Ų65.328%0.28134%0.342SS..G310 helixtrans-68.4-19.2177.300000112.8E94 C95 L99 K105E94-A97 VanDerWaalsContact O-CB 3.29Å; E94-A97 WeakPolarHBondContact O-CB 3.42Å; E94-A97 PolarHBondContact O-N 2.91Å; C95-A97 PolarHBondContact O-N 3.39Å; A97-L99 VanDerWaalsContact C-N 3.33Å; A97-K105 HydrophobicContact CB-CG 4.44Å
98L97.3Very high94.5Very high0 Ų065.5 Ų65.50%032%0.323CS..G310 helixtrans-81.4-13.8176.4-53.5177.5000112.8I78 C84 T93 C95 S96 N100 K105 T106 C109I78-L98 HydrophobicContact CB-CD1 3.76Å; I78-L98 HydrophobicContact CD1-CD1 3.82Å; I78-L98 HydrophobicContact CD1-CD2 4.08Å; I78-L98 HydrophobicContact CD1-CG 4.49Å; I78-L98 HydrophobicContact CG1-CD1 4.39Å; I78-L98 HydrophobicContact CG2-CD1 3.73Å; C84-L98 HydrophobicContact CB-CD1 3.73Å; T93-L98 HydrophobicContact CG2-CD2 3.97Å; T93-L98 HydrophobicContact CG2-CG 4.35Å; C95-L98 WeakPolarHBondContact O-CB 3.4Å; C95-L98 PolarHBondContact O-N 2.93Å; C95-L98 VanDerWaalsContact O-N 3.13Å; S96-L98 PolarHBondContact O-N 3.33Å; L98-N100 PolarHBondContact O-N 3.06Å; L98-N100 VanDerWaalsContact O-N 3.09Å; L98-K105 HydrophobicContact CD2-CB 4.24Å; L98-T106 PolarHBondContact O-OG1 3.37Å; L98-C109 HydrophobicContact CD2-CB 4.42Å
99L96.9Very high95.7Very high54 Ų5455.4 Ų55.428%0.28328%0.279SS..SBendtrans-86.455.8179.2-55-178.9000110.8P59 V62 Y73 S96 A97P59-L99 WeakPolarHBondContact O-CA 3.21Å; V62-L99 HydrophobicContact CG2-CD1 3.76Å; V62-L99 HydrophobicContact CG2-CD2 3.73Å; V62-L99 HydrophobicContact CG2-CG 4.42Å; Y73-L99 HydrophobicContact CD1-CD1 4.25Å; Y73-L99 HydrophobicContact CD1-CD2 4.1Å; Y73-L99 HydrophobicContact CD1-CG 4.28Å; S96-L99 WeakPolarHBondContact O-CB 3.31Å; S96-L99 PolarHBondContact O-N 3.33Å; S96-L99 VanDerWaalsContact O-N 3.14Å; A97-L99 VanDerWaalsContact C-N 3.33Å
100N93.8Very high96.2Very high87 Ų8755 Ų5547%0.46528%0.276SS..  trans-138.6129.5-171-166.6-35.2000112.5L98 N102 L103L98-N100 PolarHBondContact O-N 3.06Å; L98-N100 VanDerWaalsContact O-N 3.09Å; N100-N102 PolarHBondContact O-N 3.11Å; N100-N102 WeakPolarHBondContact OD1-CB 3.35Å; N100-N102 PolarHBondContact OD1-N 2.84Å; N100-L103 PolarHBondContact O-N 3.24Å; N100-L103 VanDerWaalsContact O-N 3.12Å
101Q93.5Very high96.4Very high58 Ų5850.3 Ų50.327%0.27126%0.26SS..THydrogen-bonded Turntrans-65.7-17.2178.1-63-178.1-2.500114.2S18 A19 K30 P59 L103S18-Q101 PolarHBondContact OG-NE2 3.24Å; S18-Q101 PolarHBondContact OG-OE1 3.01Å; A19-Q101 PolarHBondContact O-NE2 3.16Å; K30-Q101 VanDerWaalsContact CE-O 3.31Å; K30-Q101 WeakPolarHBondContact CE-O 3.31Å; K30-Q101 PolarHBondContact NZ-O 3.44Å; P59-Q101 HydrophobicContact CG-CB 4.33Å; P59-Q101 HydrophobicContact CG-CG 3.7Å; Q101-L103 VanDerWaalsContact C-N 3.26Å; Q101-L103 PolarHBondContact O-N 3.03Å
102N93.7Very high96.5Very high95 Ų9553.1 Ų53.151%0.50827%0.273SS..THydrogen-bonded Turntrans-66.3-30.6173.2-174.3-54.8000111.4N100 Q104N100-N102 PolarHBondContact O-N 3.11Å; N100-N102 WeakPolarHBondContact OD1-CB 3.35Å; N100-N102 PolarHBondContact OD1-N 2.84Å; N102-Q104 PolarHBondContact O-N 2.79Å; N102-Q104 VanDerWaalsContact O-N 3.16Å; N102-Q104 WeakPolarHBondContact OD1-CB 3.27Å; N102-Q104 PolarHBondContact OD1-N 3.1Å
103L97.3Very high96.7Very high1 Ų145 Ų451%0.00524%0.236CC..  trans63.9-2.2-178.5-56.2177.2000116.2K30 L31 P59 L75 N100 Q101 K105 T106 I107K30-L103 HydrophobicContact CB-CD1 3.93Å; K30-L103 HydrophobicContact CD-CD1 3.92Å; K30-L103 HydrophobicContact CD-CG 4.45Å; L31-L103 HydrophobicContact CD2-CD1 4.3Å; P59-L103 HydrophobicContact CB-CD2 3.88Å; L75-L103 HydrophobicContact CB-CD2 3.91Å; L75-L103 HydrophobicContact CD2-CD1 3.66Å; L75-L103 HydrophobicContact CD2-CD2 3.82Å; L75-L103 HydrophobicContact CD2-CG 4.42Å; L75-L103 HydrophobicContact CG-CD2 4.42Å; N100-L103 PolarHBondContact O-N 3.24Å; N100-L103 VanDerWaalsContact O-N 3.12Å; Q101-L103 VanDerWaalsContact C-N 3.26Å; Q101-L103 PolarHBondContact O-N 3.03Å; L103-K105 PolarHBondContact O-N 3.22Å; L103-T106 HydrophobicContact CD2-CG2 4.4Å; L103-T106 CarbonylContact O-C 3.59Å; L103-T106 WeakPolarHBondContact O-CB 3.31Å; L103-T106 PolarHBondContact O-N 3.33Å; L103-T106 VanDerWaalsContact O-N 3.15Å; L103-I107 HydrophobicContact CB-CD1 4.02Å; L103-I107 HydrophobicContact CB-CG1 4.21Å; L103-I107 WeakPolarHBondContact O-CB 3.43Å; L103-I107 VanDerWaalsContact O-CG1 3.27Å; L103-I107 WeakPolarHBondContact O-CG1 3.4Å; L103-I107 PolarHBondContact O-N 3.45Å
104Q97.8Very high96.9Very high111 Ų11144.3 Ų44.352%0.51923%0.231SC..Hα-helixtrans-50.9-55.7-179.3179.7179.61400113.2N102 T106 I107 E108N102-Q104 PolarHBondContact O-N 2.79Å; N102-Q104 VanDerWaalsContact O-N 3.16Å; N102-Q104 WeakPolarHBondContact OD1-CB 3.27Å; N102-Q104 PolarHBondContact OD1-N 3.1Å; Q104-T106 VanDerWaalsContact C-N 3.32Å; Q104-T106 PolarHBondContact O-N 2.88Å; Q104-I107 PolarHBondContact O-N 3.34Å; Q104-E108 WeakPolarHBondContact CG-OE1 3.48Å; Q104-E108 PolarHBondContact NE2-OE1 3.16Å; Q104-E108 WeakPolarHBondContact O-CG 3.36Å; Q104-E108 PolarHBondContact O-N 3.31Å
105K97.8Very high97Very high90 Ų9047.2 Ų47.239%0.39124%0.243SC..Hα-helixtrans-64.7-36.7179.4-68.3-69.9165.2-1550112.9A97 L98 L103 E108 C109A97-K105 HydrophobicContact CB-CG 4.44Å; L98-K105 HydrophobicContact CD2-CB 4.24Å; L103-K105 PolarHBondContact O-N 3.22Å; K105-E108 WeakPolarHBondContact CD-OE2 3.46Å; K105-E108 IonicContact NZ-OE1 3.95Å; K105-E108 IonicContact NZ-OE2 2.78Å; K105-E108 PolarHBondContact NZ-OE2 3.34Å; K105-C109 WeakPolarHBondContact O-CB 3.5Å; K105-C109 PolarHBondContact O-N 3.13Å
106T98.4Very high97Very high1 Ų148.4 Ų48.41%0.00626%0.257CS..Hα-helixtrans-59.9-46.5173.4-52.90000111.4L75 F76 I78 L98 L103 Q104 C109 V110L75-T106 HydrophobicContact CB-CG2 4.26Å; F76-T106 HydrophobicContact CD2-CG2 3.53Å; F76-T106 HydrophobicContact CE2-CG2 4.07Å; I78-T106 HydrophobicContact CD1-CG2 4.21Å; L98-T106 PolarHBondContact O-OG1 3.37Å; L103-T106 HydrophobicContact CD2-CG2 4.4Å; L103-T106 CarbonylContact O-C 3.59Å; L103-T106 WeakPolarHBondContact O-CB 3.31Å; L103-T106 PolarHBondContact O-N 3.33Å; L103-T106 VanDerWaalsContact O-N 3.15Å; Q104-T106 VanDerWaalsContact C-N 3.32Å; Q104-T106 PolarHBondContact O-N 2.88Å; T106-C109 PolarHBondContact O-N 3.04Å; T106-V110 PolarHBondContact O-N 3.48Å
107I98.8Very high97Very high12 Ų1253.6 Ų53.66%0.06227%0.268CS..Hα-helixtrans-67.9-44.4-179.8-67.6171.8000110.9L31 L36 L103 Q104 C109 V110 K111L31-I107 HydrophobicContact CD2-CD1 4.18Å; L31-I107 HydrophobicContact CD2-CG1 4.14Å; L36-I107 HydrophobicContact CD1-CG1 4.12Å; L36-I107 HydrophobicContact CD1-CG2 4.15Å; L36-I107 HydrophobicContact CD2-CG2 4.24Å; L36-I107 HydrophobicContact CG-CG2 4.05Å; L103-I107 HydrophobicContact CB-CD1 4.02Å; L103-I107 HydrophobicContact CB-CG1 4.21Å; L103-I107 WeakPolarHBondContact O-CB 3.43Å; L103-I107 VanDerWaalsContact O-CG1 3.27Å; L103-I107 WeakPolarHBondContact O-CG1 3.4Å; L103-I107 PolarHBondContact O-N 3.45Å; Q104-I107 PolarHBondContact O-N 3.34Å; I107-C109 VanDerWaalsContact C-N 3.28Å; I107-C109 PolarHBondContact O-N 3.14Å; I107-V110 WeakPolarHBondContact O-CG2 3.34Å; I107-V110 PolarHBondContact O-N 3.13Å; I107-K111 HydrophobicContact CG2-CD 4.44Å; I107-K111 WeakPolarHBondContact O-CG 3.39Å; I107-K111 PolarHBondContact O-N 3.39Å; I107-K111 VanDerWaalsContact O-N 3.17Å
108E98.4Very high97Very high79 Ų7956.3 Ų56.337%0.36928%0.278SS..Hα-helixtrans-54.2-46.3173.9-74.7169.2-166.800111Q104 K105Q104-E108 WeakPolarHBondContact CG-OE1 3.48Å; Q104-E108 PolarHBondContact NE2-OE1 3.16Å; Q104-E108 WeakPolarHBondContact O-CG 3.36Å; Q104-E108 PolarHBondContact O-N 3.31Å; K105-E108 WeakPolarHBondContact CD-OE2 3.46Å; K105-E108 IonicContact NZ-OE1 3.95Å; K105-E108 IonicContact NZ-OE2 2.78Å; K105-E108 PolarHBondContact NZ-OE2 3.34Å
109C98.1Very high97.1Very high2 Ų256.6 Ų56.61%0.01428%0.281CS..Hα-helixtrans-69.5-46.4-178.5-174.80000113.1I78 C91 L98 K105 T106 I107 K111 I112 I113I78-C109 HydrophobicContact CD1-CB 3.99Å; C91-C109 HydrophobicContact CB-CB 3.59Å; C91-C109 WeakPolarHBondContact CB-SG 3.29Å; C91-C109 WeakPolarHBondContact SG-CA 3.42Å; C91-C109 WeakPolarHBondContact SG-CB 3.5Å; C91-C109 CovalentContact SG-SG 2.03Å; C91-C109 PolarHBondContact SG-SG 3.19Å; L98-C109 HydrophobicContact CD2-CB 4.42Å; K105-C109 WeakPolarHBondContact O-CB 3.5Å; K105-C109 PolarHBondContact O-N 3.13Å; T106-C109 PolarHBondContact O-N 3.04Å; I107-C109 VanDerWaalsContact C-N 3.28Å; I107-C109 PolarHBondContact O-N 3.14Å; C109-K111 PolarHBondContact O-N 3.33Å; C109-I112 WeakPolarHBondContact O-CB 3.33Å; C109-I112 PolarHBondContact O-N 2.98Å; C109-I113 WeakPolarHBondContact O-CG1 3.34Å; C109-I113 PolarHBondContact O-N 3.27Å; C109-I113 VanDerWaalsContact O-N 3.08Å
110V98.4Very high97.1Very high0 Ų054 Ų540%027%0.268CS..Hα-helixtrans-64.8-29.7-179.5-61.70000113.1L36 W47 F76 I78 T106 I107 I112 I113 V114 W123L36-V110 HydrophobicContact CD1-CG2 4.28Å; L36-V110 HydrophobicContact CD2-CG2 4.35Å; W47-V110 HydrophobicContact CH2-CB 4.35Å; W47-V110 HydrophobicContact CH2-CG2 4.14Å; W47-V110 HydrophobicContact CZ3-CB 3.92Å; W47-V110 HydrophobicContact CZ3-CG2 3.73Å; F76-V110 HydrophobicContact CB-CG1 3.95Å; F76-V110 HydrophobicContact CD2-CB 4.43Å; F76-V110 HydrophobicContact CD2-CG1 3.41Å; F76-V110 VanDerWaalsContact CD2-CG1 3.41Å; F76-V110 HydrophobicContact CD2-CG2 4.32Å; F76-V110 HydrophobicContact CE2-CG1 4.12Å; F76-V110 HydrophobicContact CE2-CG2 4.2Å; F76-V110 HydrophobicContact CG-CG1 3.9Å; I78-V110 HydrophobicContact CD1-CG1 4.09Å; I78-V110 HydrophobicContact CG1-CG1 4.37Å; T106-V110 PolarHBondContact O-N 3.48Å; I107-V110 WeakPolarHBondContact O-CG2 3.34Å; I107-V110 PolarHBondContact O-N 3.13Å; V110-I112 VanDerWaalsContact C-N 3.27Å; V110-I112 PolarHBondContact O-N 2.05Å; V110-I113 PolarHBondContact O-N 2.93Å; V110-V114 WeakPolarHBondContact O-CG2 3.49Å; V110-V114 PolarHBondContact O-N 2.8Å; V110-W123 HydrophobicContact CB-CH2 4.09Å; V110-W123 HydrophobicContact CG1-CH2 3.92Å; V110-W123 HydrophobicContact CG1-CZ2 3.94Å
111K98.6Very high97.3Very high52 Ų5251.2 Ų51.223%0.22626%0.259CS..Hα-helixtrans-60.5-37.4171.6-77.1-173.8176.7178.70112.3G34 G35 L36 Y39 I107 C109 K115G34-K111 WeakPolarHBondContact O-CE 3.47Å; G34-K111 PolarHBondContact O-NZ 3.28Å; G35-K111 WeakPolarHBondContact O-CE 3.32Å; G35-K111 PolarHBondContact O-NZ 3.46Å; L36-K111 HydrophobicContact CD2-CD 4.35Å; L36-K111 HydrophobicContact CD2-CG 3.73Å; Y39-K111 HydrophobicContact CD1-CG 3.96Å; Y39-K111 HydrophobicContact CD2-CD 4.3Å; Y39-K111 HydrophobicContact CD2-CG 4.42Å; Y39-K111 HydrophobicContact CE1-CB 3.68Å; Y39-K111 HydrophobicContact CE1-CD 4.27Å; Y39-K111 HydrophobicContact CE1-CG 3.53Å; Y39-K111 HydrophobicContact CE2-CD 3.85Å; Y39-K111 HydrophobicContact CE2-CG 4.04Å; Y39-K111 HydrophobicContact CG-CG 4.38Å; Y39-K111 WeakPolarHBondContact OH-CB 3.09Å; I107-K111 HydrophobicContact CG2-CD 4.44Å; I107-K111 WeakPolarHBondContact O-CG 3.39Å; I107-K111 PolarHBondContact O-N 3.39Å; I107-K111 VanDerWaalsContact O-N 3.17Å; C109-K111 PolarHBondContact O-N 3.33Å; K111-K115 WeakPolarHBondContact O-CG 3.08Å; K111-K115 PolarHBondContact O-N 3.16Å
112I97.9Very high97.5Very high74 Ų7449.5 Ų49.538%0.37925%0.254SS..Hα-helixtrans-68.4-43.4174.2-60.7167.4000110.1W83 C91 C109 V110 K115W83-I112 HydrophobicContact CZ3-CG2 4.24Å; C91-I112 HydrophobicContact CB-CD1 4.4Å; C109-I112 WeakPolarHBondContact O-CB 3.33Å; C109-I112 PolarHBondContact O-N 2.98Å; V110-I112 VanDerWaalsContact C-N 3.27Å; V110-I112 PolarHBondContact O-N 2.05Å; I112-K115 PolarHBondContact O-N 3.04Å
113I97.6Very high97.6Very high3 Ų345.8 Ų45.82%0.01523%0.232CC..Hα-helixtrans-60.8-51-178.4-61.9171.5000111.2I78 W83 C109 V110 K115 G116 W123I78-I113 HydrophobicContact CG1-CD1 4.24Å; I78-I113 HydrophobicContact CG2-CD1 4.42Å; W83-I113 HydrophobicContact CD2-CD1 3.9Å; W83-I113 HydrophobicContact CD2-CG1 3.56Å; W83-I113 HydrophobicContact CE3-CD1 4.26Å; W83-I113 HydrophobicContact CE3-CG1 3.52Å; W83-I113 HydrophobicContact CG-CD1 4.01Å; W83-I113 HydrophobicContact CG-CG1 4.22Å; W83-I113 HydrophobicContact CH2-CB 4.17Å; W83-I113 HydrophobicContact CH2-CG1 3.84Å; W83-I113 HydrophobicContact CH2-CG2 4.23Å; W83-I113 HydrophobicContact CZ2-CB 4.29Å; W83-I113 HydrophobicContact CZ2-CG1 3.89Å; W83-I113 HydrophobicContact CZ2-CG2 3.94Å; W83-I113 HydrophobicContact CZ3-CB 4.36Å; W83-I113 HydrophobicContact CZ3-CG1 3.66Å; C109-I113 WeakPolarHBondContact O-CG1 3.34Å; C109-I113 PolarHBondContact O-N 3.27Å; C109-I113 VanDerWaalsContact O-N 3.08Å; V110-I113 PolarHBondContact O-N 2.93Å; I113-K115 PolarHBondContact O-N 3.22Å; I113-G116 WeakPolarHBondContact O-CA 3.47Å; I113-G116 PolarHBondContact O-N 3.38Å; I113-W123 HydrophobicContact CB-CH2 3.7Å; I113-W123 HydrophobicContact CB-CZ3 4.19Å; I113-W123 HydrophobicContact CD1-CH2 3.73Å; I113-W123 HydrophobicContact CD1-CZ2 3.77Å; I113-W123 HydrophobicContact CG1-CH2 4.29Å; I113-W123 HydrophobicContact CG2-CE3 4.43Å; I113-W123 HydrophobicContact CG2-CH2 3.4Å; I113-W123 HydrophobicContact CG2-CZ2 4.21Å; I113-W123 HydrophobicContact CG2-CZ3 3.51Å
114V98.1Very high97.6Very high5 Ų550.3 Ų50.33%0.0326%0.262CS..Hα-helixtrans-73.2-14-174.9-61.70000114.4Y39 E40 W47 V110 G116 G119 M120 W123Y39-V114 HydrophobicContact CD1-CG2 3.73Å; Y39-V114 HydrophobicContact CE1-CG2 3.61Å; E40-V114 HydrophobicContact CB-CG2 4.43Å; E40-V114 HydrophobicContact CG-CG2 4.02Å; W47-V114 HydrophobicContact CH2-CB 4.24Å; W47-V114 HydrophobicContact CH2-CG1 3.44Å; W47-V114 VanDerWaalsContact CH2-CG1 3.44Å; W47-V114 HydrophobicContact CH2-CG2 3.85Å; W47-V114 HydrophobicContact CZ2-CG1 4.2Å; W47-V114 HydrophobicContact CZ2-CG2 4.16Å; W47-V114 HydrophobicContact CZ3-CG1 4.16Å; V110-V114 WeakPolarHBondContact O-CG2 3.49Å; V110-V114 PolarHBondContact O-N 2.8Å; V114-G116 PolarHBondContact O-N 3.02Å; V114-G119 WeakPolarHBondContact O-CA 3.39Å; V114-M120 HydrophobicContact CG1-CG 3.82Å; V114-W123 HydrophobicContact CG1-CH2 4.44Å; V114-W123 HydrophobicContact CG1-CZ3 3.79Å
115K97.8Very high97.5Very high137 Ų13746.7 Ų46.760%0.59625%0.247SC*.THydrogen-bonded Turntrans-72.9-14.7167-80.8177.7161.7178.70113Y39 E40 K111 I112 I113Y39-K115 WeakPolarHBondContact OH-CE 3.29Å; Y39-K115 PolarHBondContact OH-NZ 3.38Å; E40-K115 HydrophobicContact CG-CG 4.22Å; E40-K115 VanDerWaalsContact OE1-CE 3.25Å; E40-K115 WeakPolarHBondContact OE1-CE 3.42Å; E40-K115 WeakPolarHBondContact OE1-CG 3.42Å; K111-K115 WeakPolarHBondContact O-CG 3.08Å; K111-K115 PolarHBondContact O-N 3.16Å; I112-K115 PolarHBondContact O-N 3.04Å; I113-K115 PolarHBondContact O-N 3.22Å
116G95.8Very high97.5Very high35 Ų3543 Ų4336%0.36123%0.231SC..SBendtrans-67163.7172.100000111.9I113 V114 D118 G119I113-G116 WeakPolarHBondContact O-CA 3.47Å; I113-G116 PolarHBondContact O-N 3.38Å; V114-G116 PolarHBondContact O-N 3.02Å; G116-D118 PolarHBondContact O-N 3.42Å; G116-G119 PolarHBondContact O-N 3.35Å
117K95.3Very high97.5Very high196 Ų19645.1 Ų45.185%0.85225%0.246SC*.THydrogen-bonded Turntrans-51.1-29.2-17758.2165.2-166.8171.20115.3
118D96.8Very high97.5Very high91 Ų9154 Ų5449%0.48728%0.279SS..THydrogen-bonded Turntrans-93.7-7.7-173.4-55.9-43.3000112.4G116 M120 G121G116-D118 PolarHBondContact O-N 3.42Å; D118-M120 PolarHBondContact O-N 3.15Å; D118-G121 WeakPolarHBondContact O-CA 3.02Å; D118-G121 PolarHBondContact O-N 3.12Å
119G98Very high97.4Very high6 Ų654.2 Ų54.26%0.06228%0.279CS..G310 helixtrans55.5-138.3-177.800000112.8Y42 V114 G116 G121 S122Y42-G119 WeakPolarHBondContact OH-CA 3.04Å; V114-G119 WeakPolarHBondContact O-CA 3.39Å; G116-G119 PolarHBondContact O-N 3.35Å; G119-G121 PolarHBondContact O-N 3.06Å; G119-S122 WeakPolarHBondContact O-CB 3.36Å; G119-S122 PolarHBondContact O-N 2.89Å; G119-S122 PolarHBondContact O-OG 2.03Å
120M98.1Very high97.4Very high0 Ų054.2 Ų54.20%028%0.278CS..G310 helixtrans-66.8-14170.1-71.4-169.990.800113.4Y42 N46 W47 L50 V114 D118 S122 W123 W126Y42-M120 HydrophobicContact CD1-CB 4.24Å; Y42-M120 HydrophobicContact CD1-CG 3.81Å; Y42-M120 HydrophobicContact CD1-SD 3.45Å; Y42-M120 WeakPolarHBondContact CD1-SD 3.13Å; Y42-M120 HydrophobicContact CD2-CG 3.7Å; Y42-M120 HydrophobicContact CD2-SD 3.97Å; Y42-M120 HydrophobicContact CE1-CB 3.84Å; Y42-M120 HydrophobicContact CE1-CG 3.84Å; Y42-M120 HydrophobicContact CE1-SD 4.05Å; Y42-M120 HydrophobicContact CE2-CB 4.23Å; Y42-M120 HydrophobicContact CE2-CG 3.72Å; Y42-M120 HydrophobicContact CE2-SD 4.5Å; Y42-M120 HydrophobicContact CG-CG 3.73Å; Y42-M120 HydrophobicContact CG-SD 3.4Å; Y42-M120 PolarHBondContact OH-N 3.3Å; Y42-M120 VanDerWaalsContact OH-N 3.08Å; N46-M120 HydrophobicContact CB-CE 4.21Å; N46-M120 HydrophobicContact CB-SD 3.8Å; W47-M120 HydrophobicContact CD2-CE 3.82Å; W47-M120 HydrophobicContact CD2-SD 4.36Å; W47-M120 HydrophobicContact CE3-CE 3.67Å; W47-M120 HydrophobicContact CG-CE 4.31Å; W47-M120 HydrophobicContact CZ2-SD 4.48Å; W47-M120 HydrophobicContact CZ3-CE 4.07Å; L50-M120 HydrophobicContact CB-CE 3.92Å; L50-M120 HydrophobicContact CD2-CE 3.56Å; L50-M120 HydrophobicContact CG-CE 4.36Å; V114-M120 HydrophobicContact CG1-CG 3.82Å; D118-M120 PolarHBondContact O-N 3.15Å; M120-S122 PolarHBondContact O-N 3.42Å; M120-S122 VanDerWaalsContact O-N 3.14Å; M120-W123 PolarHBondContact O-N 3.08Å; M120-W126 HydrophobicContact CB-CD2 3.48Å; M120-W126 VanDerWaalsContact CB-CD2 3.48Å; M120-W126 HydrophobicContact CB-CE3 3.62Å; M120-W126 HydrophobicContact CB-CG 4.01Å; M120-W126 HydrophobicContact CB-CH2 4.06Å; M120-W126 HydrophobicContact CB-CZ2 3.94Å; M120-W126 HydrophobicContact CB-CZ3 3.91Å; M120-W126 HydrophobicContact CE-CG 4.38Å; M120-W126 HydrophobicContact SD-CZ2 4.48Å
121G97.8Very high97.4Very high28 Ų2857.4 Ų57.429%0.28929%0.293SS..G310 helixtrans-64.1-11.617100000113.7D118 G119 W123D118-G121 WeakPolarHBondContact O-CA 3.02Å; D118-G121 PolarHBondContact O-N 3.12Å; G119-G121 PolarHBondContact O-N 3.06Å; G121-W123 PolarHBondContact O-N 2.99Å; G121-W123 VanDerWaalsContact O-N 3.1Å
122S96.6Very high97.2Very high22 Ų2264.3 Ų64.315%0.15432%0.319CS..G310 helixtrans-55.8-21.3165.9-580000113G119 M120G119-S122 WeakPolarHBondContact O-CB 3.36Å; G119-S122 PolarHBondContact O-N 2.89Å; G119-S122 PolarHBondContact O-OG 2.03Å; M120-S122 PolarHBondContact O-N 3.42Å; M120-S122 VanDerWaalsContact O-N 3.14Å
123W97.3Very high97.1Very high16 Ų1662.3 Ų62.36%0.06131%0.312CS..SBendtrans-107.5104.9170.6-68.2-91.7000110.7L50 E54 F76 V110 I113 V114 M120 G121 T125 W126 S127L50-W123 HydrophobicContact CD1-CB 3.52Å; L50-W123 HydrophobicContact CD1-CD2 4.22Å; L50-W123 HydrophobicContact CD1-CG 3.58Å; L50-W123 HydrophobicContact CD2-CD2 3.82Å; L50-W123 HydrophobicContact CD2-CE3 4Å; L50-W123 HydrophobicContact CD2-CG 4.08Å; L50-W123 HydrophobicContact CD2-CZ3 4.47Å; L50-W123 HydrophobicContact CG-CG 4.46Å; E54-W123 VanDerWaalsContact OE1-CD1 3.31Å; F76-W123 HydrophobicContact CB-CZ2 4.26Å; F76-W123 PolarHBondContact O-NE1 3.17Å; V110-W123 HydrophobicContact CB-CH2 4.09Å; V110-W123 HydrophobicContact CG1-CH2 3.92Å; V110-W123 HydrophobicContact CG1-CZ2 3.94Å; I113-W123 HydrophobicContact CB-CH2 3.7Å; I113-W123 HydrophobicContact CB-CZ3 4.19Å; I113-W123 HydrophobicContact CD1-CH2 3.73Å; I113-W123 HydrophobicContact CD1-CZ2 3.77Å; I113-W123 HydrophobicContact CG1-CH2 4.29Å; I113-W123 HydrophobicContact CG2-CE3 4.43Å; I113-W123 HydrophobicContact CG2-CH2 3.4Å; I113-W123 HydrophobicContact CG2-CZ2 4.21Å; I113-W123 HydrophobicContact CG2-CZ3 3.51Å; V114-W123 HydrophobicContact CG1-CH2 4.44Å; V114-W123 HydrophobicContact CG1-CZ3 3.79Å; M120-W123 PolarHBondContact O-N 3.08Å; G121-W123 PolarHBondContact O-N 2.99Å; G121-W123 VanDerWaalsContact O-N 3.1Å; W123-T125 PolarHBondContact O-N 2.75Å; W123-T125 VanDerWaalsContact O-N 3.1Å; W123-W126 HydrophobicContact CB-CB 4.22Å; W123-W126 PolarHBondContact O-N 3.18Å; W123-S127 PolarHBondContact O-N 3.26Å
124P96.1Very high97Very high96 Ų9669.4 Ų69.462%0.62335%0.35SS*.Hα-helixtrans-57.4-28.2177.7-27.435.8000113.9S127 R128P124-S127 PolarHBondContact O-N 3.47Å; P124-R128 WeakPolarHBondContact O-CB 3.07Å; P124-R128 PolarHBondContact O-N 3.37Å
125T96.4Very high96.8Very high36 Ų3672 Ų7222%0.22137%0.366CS..Hα-helixtrans-63.6-39.3175.258.50000112.1E54 W123 R128 F129E54-T125 WeakPolarHBondContact OE1-CB 3.43Å; E54-T125 WeakPolarHBondContact OE1-CG2 3.46Å; E54-T125 PolarHBondContact OE1-OG1 3.34Å; W123-T125 PolarHBondContact O-N 2.75Å; W123-T125 VanDerWaalsContact O-N 3.1Å; T125-R128 PolarHBondContact O-N 3.43Å; T125-F129 WeakPolarHBondContact O-CB 3.38Å; T125-F129 VanDerWaalsContact O-CD2 3.25Å; T125-F129 WeakPolarHBondContact O-CD2 3.48Å; T125-F129 PolarHBondContact O-N 3.45Å
126W98.4Very high96.8Very high11 Ų1166.8 Ų66.84%0.04234%0.344CS..Hα-helixtrans-67.1-45.4177.3168.487.4000111Y42 N46 L50 M120 W123 R128 F129 C130 Q131Y42-W126 HydrophobicContact CD1-CH2 4.5Å; Y42-W126 AromaticContact CD1-CZ2 3.94Å; Y42-W126 HydrophobicContact CD1-CZ2 3.94Å; Y42-W126 AromaticContact CE1-CH2 3.68Å; Y42-W126 HydrophobicContact CE1-CH2 3.68Å; Y42-W126 AromaticContact CE1-CZ2 3.56Å; Y42-W126 HydrophobicContact CE1-CZ2 3.56Å; N46-W126 PolarHBondContact OD1-NE1 3.43Å; L50-W126 HydrophobicContact CD1-CB 3.83Å; M120-W126 HydrophobicContact CB-CD2 3.48Å; M120-W126 VanDerWaalsContact CB-CD2 3.48Å; M120-W126 HydrophobicContact CB-CE3 3.62Å; M120-W126 HydrophobicContact CB-CG 4.01Å; M120-W126 HydrophobicContact CB-CH2 4.06Å; M120-W126 HydrophobicContact CB-CZ2 3.94Å; M120-W126 HydrophobicContact CB-CZ3 3.91Å; M120-W126 HydrophobicContact CE-CG 4.38Å; M120-W126 HydrophobicContact SD-CZ2 4.48Å; W123-W126 HydrophobicContact CB-CB 4.22Å; W123-W126 PolarHBondContact O-N 3.18Å; W126-R128 PolarHBondContact O-N 3.43Å; W126-F129 PolarHBondContact O-N 2.99Å; W126-C130 HydrophobicContact CB-CB 4.47Å; W126-C130 HydrophobicContact CG-CB 3.98Å; W126-C130 WeakPolarHBondContact O-CA 3.34Å; W126-C130 WeakPolarHBondContact O-CB 3.38Å; W126-C130 PolarHBondContact O-N 2.93Å; W126-Q131 HydrophobicContact CD2-CB 4.25Å; W126-Q131 HydrophobicContact CE3-CB 4.21Å; W126-Q131 HydrophobicContact CH2-CB 3.78Å; W126-Q131 VanDerWaalsContact CH2-CD 3.49Å; W126-Q131 HydrophobicContact CH2-CG 3.43Å; W126-Q131 VanDerWaalsContact CH2-CG 3.43Å; W126-Q131 HydrophobicContact CZ2-CB 3.8Å; W126-Q131 HydrophobicContact CZ2-CG 3.81Å; W126-Q131 HydrophobicContact CZ3-CB 3.99Å; W126-Q131 HydrophobicContact CZ3-CG 3.87Å; W126-Q131 PolarHBondContact O-N 2.98Å
127S97.8Very high96.8Very high46 Ų4668.3 Ų68.332%0.32235%0.354SS..Hα-helixtrans-58.8-38.2175.1-69.10000111.8W123 P124 Q131W123-S127 PolarHBondContact O-N 3.26Å; P124-S127 PolarHBondContact O-N 3.47Å; S127-Q131 PolarHBondContact OG-OE1 3.49Å
128R97.6Very high97Very high198 Ų19866.9 Ų66.975%0.74734%0.343SS*.Hα-helixtrans-74.7-39-179.2-174.9172.8179.5171.61.2114.1P124 T125 W126P124-R128 WeakPolarHBondContact O-CB 3.07Å; P124-R128 PolarHBondContact O-N 3.37Å; T125-R128 PolarHBondContact O-N 3.43Å; W126-R128 PolarHBondContact O-N 3.43Å
129F97.7Very high97Very high85 Ų8564.7 Ų64.737%0.37333%0.328SS..Hα-helixtrans-117.5-15-166.6-61.5-65000115F53 T125 W126F53-F129 HydrophobicContact CB-CD2 4.45Å; F53-F129 HydrophobicContact CD1-CB 4.01Å; F53-F129 HydrophobicContact CD1-CD1 4.4Å; F53-F129 AromaticContact CD1-CD2 3.54Å; F53-F129 HydrophobicContact CD1-CD2 3.54Å; F53-F129 HydrophobicContact CD1-CE2 4.06Å; F53-F129 AromaticContact CD1-CG 3.74Å; F53-F129 HydrophobicContact CD1-CG 3.74Å; F53-F129 HydrophobicContact CD2-CB 3.71Å; F53-F129 HydrophobicContact CD2-CG 4.36Å; F53-F129 HydrophobicContact CE1-CB 3.85Å; F53-F129 AromaticContact CE1-CD1 3.86Å; F53-F129 HydrophobicContact CE1-CD1 3.86Å; F53-F129 AromaticContact CE1-CD2 3.86Å; F53-F129 HydrophobicContact CE1-CD2 3.86Å; F53-F129 HydrophobicContact CE1-CE1 4.36Å; F53-F129 HydrophobicContact CE1-CE2 4.37Å; F53-F129 AromaticContact CE1-CG 3.59Å; F53-F129 HydrophobicContact CE1-CG 3.59Å; F53-F129 HydrophobicContact CE2-CB 3.54Å; F53-F129 HydrophobicContact CE2-CG 4.24Å; F53-F129 HydrophobicContact CG-CB 3.95Å; F53-F129 AromaticContact CG-CD2 3.94Å; F53-F129 HydrophobicContact CG-CD2 3.94Å; F53-F129 HydrophobicContact CG-CG 4.14Å; F53-F129 HydrophobicContact CZ-CB 3.61Å; F53-F129 HydrophobicContact CZ-CD1 4.14Å; F53-F129 AromaticContact CZ-CG 3.87Å; F53-F129 HydrophobicContact CZ-CG 3.87Å; T125-F129 WeakPolarHBondContact O-CB 3.38Å; T125-F129 VanDerWaalsContact O-CD2 3.25Å; T125-F129 WeakPolarHBondContact O-CD2 3.48Å; T125-F129 PolarHBondContact O-N 3.45Å; W126-F129 PolarHBondContact O-N 2.99Å
130C98.2Very high97Very high1 Ų165.8 Ų65.81%0.00733%0.332CS..THydrogen-bonded Turntrans-123.4-43.8-170.1-55.70000113.4C49 W126 Y132 S133 L136C49-C130 VanDerWaalsContact C-SG 3.56Å; C49-C130 HydrophobicContact CB-CB 3.82Å; C49-C130 WeakPolarHBondContact CB-SG 3.42Å; C49-C130 VanDerWaalsContact SG-CA 3.58Å; C49-C130 WeakPolarHBondContact SG-CB 3.34Å; C49-C130 CovalentContact SG-SG 2.04Å; C49-C130 PolarHBondContact SG-SG 3.42Å; W126-C130 HydrophobicContact CB-CB 4.47Å; W126-C130 HydrophobicContact CG-CB 3.98Å; W126-C130 WeakPolarHBondContact O-CA 3.34Å; W126-C130 WeakPolarHBondContact O-CB 3.38Å; W126-C130 PolarHBondContact O-N 2.93Å; C130-Y132 PolarHBondContact O-N 3.28Å; C130-S133 WeakPolarHBondContact O-CB 3.5Å; C130-S133 PolarHBondContact O-N 3.29Å; C130-L136 HydrophobicContact CB-CD1 4.41Å
131Q96.8Very high97.1Very high67 Ų6770 Ų7031%0.31336%0.355SS..THydrogen-bonded Turntrans-53.9-34.5-166.8-177.9172.913.300115W126 S127W126-Q131 HydrophobicContact CD2-CB 4.25Å; W126-Q131 HydrophobicContact CE3-CB 4.21Å; W126-Q131 HydrophobicContact CH2-CB 3.78Å; W126-Q131 VanDerWaalsContact CH2-CD 3.49Å; W126-Q131 HydrophobicContact CH2-CG 3.43Å; W126-Q131 VanDerWaalsContact CH2-CG 3.43Å; W126-Q131 HydrophobicContact CZ2-CB 3.8Å; W126-Q131 HydrophobicContact CZ2-CG 3.81Å; W126-Q131 HydrophobicContact CZ3-CB 3.99Å; W126-Q131 HydrophobicContact CZ3-CG 3.87Å; W126-Q131 PolarHBondContact O-N 2.98Å; S127-Q131 PolarHBondContact OG-OE1 3.49Å
132Y95.2Very high97.1Very high197 Ų19772.5 Ų72.577%0.77338%0.381SS*.THydrogen-bonded Turntrans-126.125.6179.6-55.3-64000112.4C130 D134C130-Y132 PolarHBondContact O-N 3.28Å; Y132-D134 PolarHBondContact O-N 3.12Å
133S95.5Very high97.1Very high32 Ų3272.5 Ų72.522%0.22438%0.381CS..  trans-68.4125.3178.5-179.60000110.7C130 T135 L136C130-S133 WeakPolarHBondContact O-CB 3.5Å; C130-S133 PolarHBondContact O-N 3.29Å; S133-T135 PolarHBondContact O-N 3.48Å; S133-T135 PolarHBondContact OG-N 3.48Å; S133-T135 PolarHBondContact OG-OG1 3.48Å; S133-L136 PolarHBondContact OG-N 2.92Å
134D95.6Very high97.1Very high152 Ų15280.8 Ų80.881%0.81342%0.417SS*.THydrogen-bonded Turntrans-70.9-17.2171.964.4-22.2000113.1Y132Y132-D134 PolarHBondContact O-N 3.12Å
135T95.3Very high97Very high59 Ų5980.6 Ų80.636%0.36241%0.41SS..THydrogen-bonded Turntrans-106.913-176.544.30000112.6S133 A137 R138S133-T135 PolarHBondContact O-N 3.48Å; S133-T135 PolarHBondContact OG-N 3.48Å; S133-T135 PolarHBondContact OG-OG1 3.48Å; T135-A137 VanDerWaalsContact C-N 3.28Å; T135-A137 PolarHBondContact O-N 2.82Å; T135-R138 VanDerWaalsContact O-CB 3.28Å; T135-R138 WeakPolarHBondContact O-CB 3.39Å; T135-R138 WeakPolarHBondContact O-CG 3.25Å; T135-R138 PolarHBondContact O-N 3.31Å
136L96.6Very high97Very high28 Ų2882.9 Ų82.915%0.14742%0.42CS..G310 helixtrans-57-40.2-175.7-165.173.2000112.5E45 N46 C49 C130 S133 R138 W139E45-L136 HydrophobicContact CB-CD1 4.31Å; E45-L136 HydrophobicContact CB-CD2 4.13Å; E45-L136 HydrophobicContact CB-CG 3.68Å; E45-L136 WeakPolarHBondContact CB-O 3.38Å; E45-L136 WeakPolarHBondContact CG-O 3.41Å; N46-L136 WeakPolarHBondContact ND2-CD2 3.5Å; C49-L136 HydrophobicContact CB-CD1 3.94Å; C130-L136 HydrophobicContact CB-CD1 4.41Å; S133-L136 PolarHBondContact OG-N 2.92Å; L136-R138 PolarHBondContact O-N 3.47Å; L136-R138 VanDerWaalsContact O-N 3.08Å; L136-W139 WeakPolarHBondContact O-CB 3.08Å; L136-W139 PolarHBondContact O-N 3.15Å; L136-W139 VanDerWaalsContact O-N 3.1Å
137A96.9Very high96.9Very high68 Ų6886.6 Ų86.656%0.56244%0.44SS*.G310 helixtrans-53.5-32177.200000113.3T135 W139 L140T135-A137 VanDerWaalsContact C-N 3.28Å; T135-A137 PolarHBondContact O-N 2.82Å; A137-W139 PolarHBondContact O-N 2.78Å; A137-W139 VanDerWaalsContact O-N 3.07Å; A137-L140 PolarHBondContact O-N 3Å; A137-L140 VanDerWaalsContact O-N 3.11Å
138R97.6Very high96.9Very high166 Ų16688.9 Ų88.963%0.62645%0.446SS*.G310 helixtrans-64.5-17.9-177-58.6-178.567.3-179.4-1.1113.3T135 L136 L140 D141T135-R138 VanDerWaalsContact O-CB 3.28Å; T135-R138 WeakPolarHBondContact O-CB 3.39Å; T135-R138 WeakPolarHBondContact O-CG 3.25Å; T135-R138 PolarHBondContact O-N 3.31Å; L136-R138 PolarHBondContact O-N 3.47Å; L136-R138 VanDerWaalsContact O-N 3.08Å; R138-L140 PolarHBondContact O-N 3.32Å; R138-L140 VanDerWaalsContact O-N 3.15Å; R138-D141 WeakPolarHBondContact CA-OD2 3.36Å; R138-D141 PolarHBondContact O-N 3.36Å
139W98.3Very high96.8Very high44 Ų4482.5 Ų82.517%0.16743%0.429CS..G310 helixtrans-62.6-18.1175.4-74.8111.9000113.5R24 E45 V48 C49 Y52 F53 F57 L136 A137R24-W139 WeakPolarHBondContact CD-O 3.37Å; R24-W139 HydrophobicContact CG-CE3 4.36Å; R24-W139 VanDerWaalsContact NH1-C 3.26Å; R24-W139 PolarHBondContact NH1-O 3.06Å; E45-W139 HydrophobicContact CB-CB 4.19Å; E45-W139 HydrophobicContact CG-CB 4.49Å; V48-W139 HydrophobicContact CB-CB 4.16Å; V48-W139 HydrophobicContact CG1-CB 4Å; V48-W139 HydrophobicContact CG1-CD2 4.24Å; V48-W139 HydrophobicContact CG1-CE3 3.78Å; V48-W139 HydrophobicContact CG1-CG 4.36Å; C49-W139 HydrophobicContact CB-CD2 4.32Å; C49-W139 HydrophobicContact CB-CG 4.26Å; C49-W139 HydrophobicContact CB-CZ2 4.38Å; C49-W139 VanDerWaalsContact CB-NE1 3.32Å; C49-W139 PolarHBondContact SG-NE1 2.86Å; C49-W139 VanDerWaalsContact SG-NE1 3.43Å; Y52-W139 VanDerWaalsContact CB-CH2 3.47Å; Y52-W139 AromaticContact CD1-CH2 3.44Å; Y52-W139 HydrophobicContact CD1-CH2 3.44Å; Y52-W139 VanDerWaalsContact CD1-CH2 3.44Å; Y52-W139 HydrophobicContact CD1-CZ2 4.14Å; Y52-W139 HydrophobicContact CD1-CZ3 4.37Å; Y52-W139 HydrophobicContact CD2-CH2 4.05Å; Y52-W139 HydrophobicContact CD2-CZ3 4.21Å; Y52-W139 HydrophobicContact CE1-CH2 4.13Å; Y52-W139 AromaticContact CG-CH2 3.37Å; Y52-W139 HydrophobicContact CG-CH2 3.37Å; Y52-W139 HydrophobicContact CG-CZ2 4.34Å; Y52-W139 AromaticContact CG-CZ3 3.86Å; Y52-W139 HydrophobicContact CG-CZ3 3.86Å; F53-W139 HydrophobicContact CE2-CZ2 4.14Å; F57-W139 HydrophobicContact CE2-CZ3 4.23Å; F57-W139 HydrophobicContact CZ-CE3 4.08Å; F57-W139 AromaticContact CZ-CZ3 3.66Å; F57-W139 HydrophobicContact CZ-CZ3 3.66Å; L136-W139 WeakPolarHBondContact O-CB 3.08Å; L136-W139 PolarHBondContact O-N 3.15Å; L136-W139 VanDerWaalsContact O-N 3.1Å; A137-W139 PolarHBondContact O-N 2.78Å; A137-W139 VanDerWaalsContact O-N 3.07Å
140L98.5Very high96.8Very high30 Ų3082.3 Ų82.316%0.15743%0.432CS..G310 helixtrans-113.62.8177-63.7-179.6000114.4A28 L44 E45 V48 A137 R138 G142 C143 L145A28-L140 HydrophobicContact CB-CD2 3.41Å; A28-L140 VanDerWaalsContact CB-CD2 3.41Å; L44-L140 HydrophobicContact CB-CD1 4.14Å; L44-L140 HydrophobicContact CD2-CD1 3.96Å; L44-L140 HydrophobicContact CD2-CD2 4.04Å; L44-L140 HydrophobicContact CG-CD1 4.24Å; L44-L140 HydrophobicContact CG-CD2 4.33Å; E45-L140 HydrophobicContact CG-CD1 3.8Å; E45-L140 HydrophobicContact CG-CG 3.9Å; E45-L140 VanDerWaalsContact OE1-CD1 3.28Å; E45-L140 WeakPolarHBondContact OE1-CD1 3.33Å; V48-L140 HydrophobicContact CG2-CD2 4.21Å; A137-L140 PolarHBondContact O-N 3Å; A137-L140 VanDerWaalsContact O-N 3.11Å; R138-L140 PolarHBondContact O-N 3.32Å; R138-L140 VanDerWaalsContact O-N 3.15Å; L140-G142 PolarHBondContact O-N 3.36Å; L140-C143 WeakPolarHBondContact O-CB 3.41Å; L140-C143 PolarHBondContact O-N 3.29Å; L140-L145 HydrophobicContact CD1-CD1 4.29Å
141D98.3Very high96.7Very high87 Ų8787.7 Ų87.747%0.46546%0.46SS..THydrogen-bonded Turntrans-52.2124.9177.7-73.9-9.7000110.9R24 R138 C143R24-D141 PolarHBondContact NH1-O 3.1Å; R24-D141 PolarHBondContact NH2-O 3.04Å; R138-D141 WeakPolarHBondContact CA-OD2 3.36Å; R138-D141 PolarHBondContact O-N 3.36Å; D141-C143 PolarHBondContact O-N 3.45Å
142G97.8Very high96.7Very high81 Ų8189.2 Ų89.284%0.83547%0.471SS*.THydrogen-bonded Turntrans70.44.2179.200000115.9L140L140-G142 PolarHBondContact O-N 3.36Å
143C98.1Very high96.8Very high23 Ų2380.9 Ų80.916%0.15545%0.448CS..  trans-80.4134.2174.6-61.70000111.6R24 C25 L140 D141 L145R24-C143 PolarHBondContact NH1-SG 3.05Å; C25-C143 WeakPolarHBondContact CA-SG 3.43Å; C25-C143 HydrophobicContact CB-CB 3.7Å; C25-C143 WeakPolarHBondContact CB-SG 3.25Å; C25-C143 WeakPolarHBondContact SG-CA 3.44Å; C25-C143 WeakPolarHBondContact SG-CB 3.38Å; C25-C143 CovalentContact SG-SG 2.05Å; C25-C143 PolarHBondContact SG-SG 3.04Å; L140-C143 WeakPolarHBondContact O-CB 3.41Å; L140-C143 PolarHBondContact O-N 3.29Å; D141-C143 PolarHBondContact O-N 3.45Å; C143-L145 HydrophobicContact CB-CD2 4.33Å
144K96.4Very high96.9Very high190 Ų19085 Ų8583%0.82647%0.466SS*.  trans-103105.8171.1-59.5-177.4-177.3-177.30108
145L93.3Very high97Very high92 Ų9278.9 Ų78.948%0.48244%0.435SS..  trans-86.10-175.6-59.1178.7000111A28 K29 H32 L44 L140 C143A28-L145 HydrophobicContact CB-CD2 3.78Å; K29-L145 HydrophobicContact CB-CD2 4.45Å; H32-L145 HydrophobicContact CB-CD2 4.5Å; L44-L145 HydrophobicContact CD2-CD1 3.51Å; L44-L145 HydrophobicContact CD2-CD2 4.17Å; L44-L145 HydrophobicContact CD2-CG 4.5Å; L140-L145 HydrophobicContact CD1-CD1 4.29Å; C143-L145 HydrophobicContact CB-CD2 4.33Å

Retrieved 145 of 145 residues in 82.2 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).