A0A077YZB3_TRITR Loading...

dCMP cyt deam 1 domain containing protein

AlphaFold DB , UniProt , Accession A0A077YZB3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 157 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
1M60.8Low92.1Very high177 Ų17776.7 Ų76.787%0.87239%0.393SS*.  0150.90-137.4170.8-74.100106.9S3 V5 L9M1-S3 PolarHBondContact O-N 2.83Å; M1-V5 HydrophobicContact CG-CG1 4.21Å; M1-V5 HydrophobicContact SD-CG1 4.22Å; M1-L9 HydrophobicContact SD-CD1 4.16Å
2D80.9Confident92.6Very high101 Ų10170.3 Ų70.354%0.5436%0.36SS..  trans-62.2134.8170-168.4-25.8000108.4E4 V5 E6D2-E4 PolarHBondContact O-N 2.84Å; D2-E4 VanDerWaalsContact O-N 3.14Å; D2-E4 PolarHBondContact OD1-N 2.88Å; D2-V5 HydrophobicContact CB-CB 4.36Å; D2-V5 HydrophobicContact CB-CG2 4.08Å; D2-V5 PolarHBondContact O-N 3.21Å; D2-E6 PolarHBondContact O-N 3.25Å; D2-E6 VanDerWaalsContact O-N 3.13Å
3S89Confident93.1Very high91 Ų9167.7 Ų67.764%0.63635%0.351SS*.Hα-helixtrans-56.1-30.2-177.766.30000112.7M1 K7M1-S3 PolarHBondContact O-N 2.83Å; S3-K7 WeakPolarHBondContact O-CB 3.29Å; S3-K7 PolarHBondContact O-N 3.46Å; S3-K7 VanDerWaalsContact O-N 3.15Å
4E94.4Very high93.5Very high94 Ų9471.2 Ų71.244%0.43937%0.365SS..Hα-helixtrans-73.9-40.6176.5-70.7-162.592.200112.5D2 E6 K7 F8D2-E4 PolarHBondContact O-N 2.84Å; D2-E4 VanDerWaalsContact O-N 3.14Å; D2-E4 PolarHBondContact OD1-N 2.88Å; E4-E6 VanDerWaalsContact C-N 3.34Å; E4-E6 PolarHBondContact O-N 3.32Å; E4-K7 WeakPolarHBondContact O-CB 3.42Å; E4-K7 PolarHBondContact O-N 3.42Å; E4-F8 HydrophobicContact CB-CE2 4.22Å; E4-F8 WeakPolarHBondContact O-CD2 3.49Å; E4-F8 PolarHBondContact O-N 2.93Å; E4-F8 VanDerWaalsContact O-N 3.11Å
5V97.7Very high93.8Very high13 Ų1368.2 Ų68.28%0.07935%0.349CS..Hα-helixtrans-62.8-45.5178.5170.60000110.4M1 D2 F8 L9 Y79 Y101M1-V5 HydrophobicContact CG-CG1 4.21Å; M1-V5 HydrophobicContact SD-CG1 4.22Å; D2-V5 HydrophobicContact CB-CB 4.36Å; D2-V5 HydrophobicContact CB-CG2 4.08Å; D2-V5 PolarHBondContact O-N 3.21Å; V5-F8 PolarHBondContact O-N 3.22Å; V5-L9 HydrophobicContact CG1-CD1 3.92Å; V5-L9 WeakPolarHBondContact O-CG 3.09Å; V5-L9 PolarHBondContact O-N 3.4Å; V5-Y79 HydrophobicContact CB-CE1 4.26Å; V5-Y79 HydrophobicContact CG1-CE1 4.11Å; V5-Y79 HydrophobicContact CG2-CE1 4.24Å; V5-Y101 HydrophobicContact CG1-CD1 3.74Å; V5-Y101 HydrophobicContact CG1-CD2 4.45Å; V5-Y101 HydrophobicContact CG1-CE1 4.03Å; V5-Y101 HydrophobicContact CG1-CG 3.96Å; V5-Y101 HydrophobicContact CG2-CE1 4.12Å; V5-Y101 HydrophobicContact CG2-CE2 4.09Å
6E97.7Very high94.2Very high100 Ų10064.4 Ų64.447%0.46733%0.331SS..Hα-helixtrans-61.2-45.6177.4-175.1172.5178.400111.5D2 E4 F8 L9 L10D2-E6 PolarHBondContact O-N 3.25Å; D2-E6 VanDerWaalsContact O-N 3.13Å; E4-E6 VanDerWaalsContact C-N 3.34Å; E4-E6 PolarHBondContact O-N 3.32Å; E6-F8 VanDerWaalsContact C-N 3.34Å; E6-F8 PolarHBondContact O-N 3.47Å; E6-L9 PolarHBondContact O-N 2.92Å; E6-L10 HydrophobicContact CG-CD1 4.18Å; E6-L10 WeakPolarHBondContact O-CB 3.47Å; E6-L10 WeakPolarHBondContact O-CG 3.5Å; E6-L10 PolarHBondContact O-N 2.71Å
7K98.1Very high94.4Very high123 Ų12367.4 Ų67.454%0.53534%0.343SS..Hα-helixtrans-54.3-46.5176.1175.2-172.1173.4-1710112.7S3 E4 L11S3-K7 WeakPolarHBondContact O-CB 3.29Å; S3-K7 PolarHBondContact O-N 3.46Å; S3-K7 VanDerWaalsContact O-N 3.15Å; E4-K7 WeakPolarHBondContact O-CB 3.42Å; E4-K7 PolarHBondContact O-N 3.42Å; K7-L11 PolarHBondContact O-N 3.34Å; K7-L11 VanDerWaalsContact O-N 3.17Å
8F98.6Very high94.7Very high4 Ų468.8 Ų68.82%0.01835%0.347CS..Hα-helixtrans-77.3-29-177.6-62.8-54.7000113.4E4 V5 E6 A12 V33 G36 I38 Y79E4-F8 HydrophobicContact CB-CE2 4.22Å; E4-F8 WeakPolarHBondContact O-CD2 3.49Å; E4-F8 PolarHBondContact O-N 2.93Å; E4-F8 VanDerWaalsContact O-N 3.11Å; V5-F8 PolarHBondContact O-N 3.22Å; E6-F8 VanDerWaalsContact C-N 3.34Å; E6-F8 PolarHBondContact O-N 3.47Å; F8-A12 PolarHBondContact O-N 2.73Å; F8-A12 VanDerWaalsContact O-N 3.14Å; F8-V33 HydrophobicContact CB-CG2 4.4Å; F8-V33 HydrophobicContact CD1-CG2 3.63Å; F8-V33 HydrophobicContact CD2-CG1 4.36Å; F8-V33 HydrophobicContact CD2-CG2 4.04Å; F8-V33 HydrophobicContact CE1-CG1 4.23Å; F8-V33 HydrophobicContact CE1-CG2 3.81Å; F8-V33 HydrophobicContact CE2-CG1 3.82Å; F8-V33 HydrophobicContact CE2-CG2 4.21Å; F8-V33 HydrophobicContact CG-CG2 3.77Å; F8-V33 HydrophobicContact CZ-CG1 3.75Å; F8-V33 HydrophobicContact CZ-CG2 4.1Å; F8-G36 WeakPolarHBondContact CZ-O 3.46Å; F8-I38 HydrophobicContact CD1-CG1 4.19Å; F8-I38 HydrophobicContact CE1-CD1 4.33Å; F8-I38 HydrophobicContact CE1-CG1 3.83Å; F8-Y79 HydrophobicContact CB-CD1 3.61Å; F8-Y79 HydrophobicContact CB-CD2 3.6Å; F8-Y79 HydrophobicContact CB-CE1 3.83Å; F8-Y79 HydrophobicContact CB-CE2 3.83Å; F8-Y79 HydrophobicContact CB-CG 3.48Å; F8-Y79 VanDerWaalsContact CB-CG 3.48Å; F8-Y79 HydrophobicContact CD2-CD2 4.4Å; F8-Y79 HydrophobicContact CD2-CE1 4.19Å; F8-Y79 AromaticContact CD2-CE2 3.77Å; F8-Y79 HydrophobicContact CD2-CE2 3.77Å; F8-Y79 AromaticContact CD2-CZ 3.64Å; F8-Y79 HydrophobicContact CG-CD2 4.19Å; F8-Y79 HydrophobicContact CG-CE2 4.02Å
9L98.6Very high94.9Very high11 Ų1165.2 Ų65.26%0.05833%0.328CS..Hα-helixtrans-68-41.5170.1-74.9172.6000111.7M1 V5 E6 L11 A12 C13 Y79M1-L9 HydrophobicContact SD-CD1 4.16Å; V5-L9 HydrophobicContact CG1-CD1 3.92Å; V5-L9 WeakPolarHBondContact O-CG 3.09Å; V5-L9 PolarHBondContact O-N 3.4Å; E6-L9 PolarHBondContact O-N 2.92Å; L9-L11 VanDerWaalsContact C-N 3.3Å; L9-L11 PolarHBondContact O-N 3.14Å; L9-A12 WeakPolarHBondContact O-CB 3.26Å; L9-A12 PolarHBondContact O-N 3.05Å; L9-A12 VanDerWaalsContact O-N 3.07Å; L9-C13 PolarHBondContact O-N 2.96Å; L9-C13 PolarHBondContact O-SG 3.07Å; L9-C13 VanDerWaalsContact O-SG 3.36Å; L9-Y79 HydrophobicContact CD2-CD1 4.21Å; L9-Y79 HydrophobicContact CG-CD1 4.05Å
10L98.4Very high95.1Very high93 Ų9365.9 Ų65.949%0.48734%0.336SS..Hα-helixtrans-58.9-43174-74.2171.5000111.5E6 A12 C13 E14E6-L10 HydrophobicContact CG-CD1 4.18Å; E6-L10 WeakPolarHBondContact O-CB 3.47Å; E6-L10 WeakPolarHBondContact O-CG 3.5Å; E6-L10 PolarHBondContact O-N 2.71Å; L10-A12 VanDerWaalsContact C-N 3.29Å; L10-A12 PolarHBondContact O-N 3.44Å; L10-C13 WeakPolarHBondContact O-CB 3.45Å; L10-C13 PolarHBondContact O-N 2.67Å; L10-C13 VanDerWaalsContact O-N 3.11Å; L10-E14 WeakPolarHBondContact O-CG 3.46Å; L10-E14 PolarHBondContact O-N 3.17Å
11L98.5Very high95.2Very high37 Ų3770 Ų7019%0.19435%0.354CS..Hα-helixtrans-59.9-39174.1-18065.7000112.6K7 L9 C13 E14 E15 A31 I38 V41K7-L11 PolarHBondContact O-N 3.34Å; K7-L11 VanDerWaalsContact O-N 3.17Å; L9-L11 VanDerWaalsContact C-N 3.3Å; L9-L11 PolarHBondContact O-N 3.14Å; L11-C13 VanDerWaalsContact C-N 3.35Å; L11-E14 PolarHBondContact O-N 3.17Å; L11-E15 PolarHBondContact O-N 2.83Å; L11-E15 VanDerWaalsContact O-N 3.1Å; L11-A31 HydrophobicContact CD2-CB 4.29Å; L11-I38 HydrophobicContact CD2-CD1 3.45Å; L11-I38 VanDerWaalsContact CD2-CD1 3.45Å; L11-I38 HydrophobicContact CD2-CG1 4.07Å; L11-V41 HydrophobicContact CD1-CG2 4.28Å; L11-V41 HydrophobicContact CD2-CG2 3.83Å; L11-V41 HydrophobicContact CG-CG2 3.78Å
12A98.8Very high97Very high0 Ų065.5 Ų65.50%034%0.339CS..Hα-helixtrans-65.5-38.417500000111.6F8 L9 L10 A16 G29F8-A12 PolarHBondContact O-N 2.73Å; F8-A12 VanDerWaalsContact O-N 3.14Å; L9-A12 WeakPolarHBondContact O-CB 3.26Å; L9-A12 PolarHBondContact O-N 3.05Å; L9-A12 VanDerWaalsContact O-N 3.07Å; L10-A12 VanDerWaalsContact C-N 3.29Å; L10-A12 PolarHBondContact O-N 3.44Å; A12-A16 PolarHBondContact O-N 2.91Å; A12-G29 CarbonylContact O-C 3.58Å; A12-G29 VanDerWaalsContact O-CA 3.24Å; A12-G29 WeakPolarHBondContact O-CA 3.01Å
13C98.7Very high97.8Very high36 Ų3662.9 Ų62.924%0.24334%0.336CS..Hα-helixtrans-65.1-45.1173.6-63.90000112.2L9 L10 L11 E15 A16 E17L9-C13 PolarHBondContact O-N 2.96Å; L9-C13 PolarHBondContact O-SG 3.07Å; L9-C13 VanDerWaalsContact O-SG 3.36Å; L10-C13 WeakPolarHBondContact O-CB 3.45Å; L10-C13 PolarHBondContact O-N 2.67Å; L10-C13 VanDerWaalsContact O-N 3.11Å; L11-C13 VanDerWaalsContact C-N 3.35Å; C13-E15 VanDerWaalsContact C-N 3.31Å; C13-E15 PolarHBondContact O-N 3.49Å; C13-A16 WeakPolarHBondContact O-CA 3.41Å; C13-A16 VanDerWaalsContact O-CB 3.28Å; C13-A16 WeakPolarHBondContact O-CB 3.48Å; C13-A16 PolarHBondContact O-N 3.45Å; C13-E17 WeakPolarHBondContact O-CG 3.46Å; C13-E17 PolarHBondContact O-N 3.43Å
14E98.7Very high98.3Very high117 Ų11759.7 Ų59.755%0.54731%0.312SS..Hα-helixtrans-58.2-41.7176.9-72.4171.8-172.500112L10 L11 E17 K18L10-E14 WeakPolarHBondContact O-CG 3.46Å; L10-E14 PolarHBondContact O-N 3.17Å; L11-E14 PolarHBondContact O-N 3.17Å; E14-E17 PolarHBondContact O-N 2.82Å; E14-K18 WeakPolarHBondContact O-CB 3.44Å; E14-K18 PolarHBondContact O-N 3.33Å
15E98.8Very high98.4Very high26 Ų2655.8 Ų55.812%0.12130%0.296CS..Hα-helixtrans-69.1-35.7175-84.1-71146.700112.3L11 C13 E17 K18 G19 V41 H43L11-E15 PolarHBondContact O-N 2.83Å; L11-E15 VanDerWaalsContact O-N 3.1Å; C13-E15 VanDerWaalsContact C-N 3.31Å; C13-E15 PolarHBondContact O-N 3.49Å; E15-E17 VanDerWaalsContact C-N 3.35Å; E15-E17 PolarHBondContact O-N 3.02Å; E15-K18 PolarHBondContact O-N 3.21Å; E15-K18 WeakPolarHBondContact OE1-CD 3.48Å; E15-K18 IonicContact OE1-NZ 2.83Å; E15-K18 PolarHBondContact OE1-NZ 3.44Å; E15-K18 IonicContact OE2-NZ 3.83Å; E15-G19 PolarHBondContact O-N 3.1Å; E15-V41 HydrophobicContact CG-CG1 4.5Å; E15-V41 HydrophobicContact CG-CG2 3.7Å; E15-H43 HydrophobicContact CB-CB 4.4Å; E15-H43 WeakPolarHBondContact O-CB 3.32Å; E15-H43 IonicContact OE2-CE1 3.56Å; E15-H43 IonicContact OE2-CG 2.67Å; E15-H43 IonicContact OE2-ND1 2.73Å; E15-H43 PolarHBondContact OE2-ND1 3.48Å
16A98.8Very high98.4Very high8 Ų855.9 Ų55.97%0.06630%0.3CS..Hα-helixtrans-58.6-46.817300000111.5A12 C13 K18 G19 V20A12-A16 PolarHBondContact O-N 2.91Å; C13-A16 WeakPolarHBondContact O-CA 3.41Å; C13-A16 VanDerWaalsContact O-CB 3.28Å; C13-A16 WeakPolarHBondContact O-CB 3.48Å; C13-A16 PolarHBondContact O-N 3.45Å; A16-K18 PolarHBondContact O-N 2.8Å; A16-G19 PolarHBondContact O-N 2.94Å; A16-V20 PolarHBondContact O-N 2.83Å
17E98.8Very high98.4Very high115 Ų11553.7 Ų53.754%0.53730%0.295SS..Hα-helixtrans-59.6-45.6176.7-69.1173-167.200111.6C13 E14 E15 G19 V20 Q21C13-E17 WeakPolarHBondContact O-CG 3.46Å; C13-E17 PolarHBondContact O-N 3.43Å; E14-E17 PolarHBondContact O-N 2.82Å; E15-E17 VanDerWaalsContact C-N 3.35Å; E15-E17 PolarHBondContact O-N 3.02Å; E17-G19 PolarHBondContact O-N 3.27Å; E17-V20 PolarHBondContact O-N 3.23Å; E17-Q21 VanDerWaalsContact O-CG 3.26Å; E17-Q21 WeakPolarHBondContact O-CG 3.4Å; E17-Q21 PolarHBondContact O-N 3.05Å
18K98.8Very high98.4Very high92 Ų9248.7 Ų48.740%0.427%0.273SS..Hα-helixtrans-61.6-41.8177.2179.5-178.5168.2-168.20112.5E14 E15 A16 V20 Q21 C22E14-K18 WeakPolarHBondContact O-CB 3.44Å; E14-K18 PolarHBondContact O-N 3.33Å; E15-K18 PolarHBondContact O-N 3.21Å; E15-K18 WeakPolarHBondContact OE1-CD 3.48Å; E15-K18 IonicContact OE1-NZ 2.83Å; E15-K18 PolarHBondContact OE1-NZ 3.44Å; E15-K18 IonicContact OE2-NZ 3.83Å; A16-K18 PolarHBondContact O-N 2.8Å; K18-V20 VanDerWaalsContact C-N 3.29Å; K18-V20 PolarHBondContact O-N 2.89Å; K18-Q21 PolarHBondContact O-N 2.91Å; K18-C22 WeakPolarHBondContact O-CB 3.33Å; K18-C22 PolarHBondContact O-N 3.18Å
19G98.7Very high98.4Very high0 Ų048.5 Ų48.50%027%0.272CS..Hα-helixtrans-58.6-41.9177.300000112.5E15 A16 E17 G23 D24 H43E15-G19 PolarHBondContact O-N 3.1Å; A16-G19 PolarHBondContact O-N 2.94Å; E17-G19 PolarHBondContact O-N 3.27Å; G19-G23 PolarHBondContact O-N 3.02Å; G19-G23 VanDerWaalsContact O-N 3.17Å; G19-D24 PolarHBondContact O-N 3.17Å; G19-H43 WeakPolarHBondContact CA-CD2 3.48Å
20V98.5Very high98.4Very high80 Ų8048 Ų4849%0.48527%0.269SS..Hα-helixtrans-65.6-48.7173.7177.30000111.1A16 E17 K18 C22 G23 P27A16-V20 PolarHBondContact O-N 2.83Å; E17-V20 PolarHBondContact O-N 3.23Å; K18-V20 VanDerWaalsContact C-N 3.29Å; K18-V20 PolarHBondContact O-N 2.89Å; V20-C22 VanDerWaalsContact C-N 3.3Å; V20-C22 PolarHBondContact O-N 2.61Å; V20-G23 PolarHBondContact O-N 3.09Å; V20-G23 VanDerWaalsContact O-N 3.09Å; V20-P27 HydrophobicContact CG2-CB 3.68Å
21Q98.6Very high98.5Very high153 Ų15343.5 Ų43.572%0.71525%0.246SC*.Hα-helixtrans-59.8-38.9-177.6-73.7170.87.700112.8E17 K18E17-Q21 VanDerWaalsContact O-CG 3.26Å; E17-Q21 WeakPolarHBondContact O-CG 3.4Å; E17-Q21 PolarHBondContact O-N 3.05Å; K18-Q21 PolarHBondContact O-N 2.91Å
22C98.1Very high98.5Very high82 Ų8241.8 Ų41.855%0.55424%0.237SC*.Hα-helixtrans-83.1-11.6178.6-66.50000113.6K18 V20 D24K18-C22 WeakPolarHBondContact O-CB 3.33Å; K18-C22 PolarHBondContact O-N 3.18Å; V20-C22 VanDerWaalsContact C-N 3.3Å; V20-C22 PolarHBondContact O-N 2.61Å; C22-D24 VanDerWaalsContact C-N 3.29Å
23G98.2Very high98.5Very high46 Ų4642 Ų4247%0.47424%0.238SC..THydrogen-bonded Turntrans71.323.1-175.400000113.6G19 V20 G25G19-G23 PolarHBondContact O-N 3.02Å; G19-G23 VanDerWaalsContact O-N 3.17Å; V20-G23 PolarHBondContact O-N 3.09Å; V20-G23 VanDerWaalsContact O-N 3.09Å; G23-G25 VanDerWaalsContact C-N 3.34Å
24D98.6Very high98.5Very high24 Ų2443.1 Ų43.113%0.12824%0.239CC..SBendtrans-76.1-25.9-176.7-81.2-16.9000112G19 C22 H43 N44 E45 L47 K48G19-D24 PolarHBondContact O-N 3.17Å; C22-D24 VanDerWaalsContact C-N 3.29Å; D24-H43 WeakPolarHBondContact CB-NE2 3.35Å; D24-H43 IonicContact OD2-CE1 3.9Å; D24-H43 IonicContact OD2-NE2 3.14Å; D24-H43 PolarHBondContact OD2-NE2 2.97Å; D24-H43 VanDerWaalsContact OD2-NE2 3.14Å; D24-N44 CarbonylContact C-O 3.54Å; D24-E45 CarbonylContact O-C 3.51Å; D24-E45 VanDerWaalsContact O-C 3.25Å; D24-E45 WeakPolarHBondContact O-CA 3.27Å; D24-L47 WeakPolarHBondContact O-CB 3.49Å; D24-L47 PolarHBondContact O-N 2.95Å; D24-L47 VanDerWaalsContact O-N 3.12Å; D24-K48 HydrophobicContact CB-CB 4Å; D24-K48 HydrophobicContact CB-CD 4.16Å; D24-K48 VanDerWaalsContact CG-CD 3.48Å; D24-K48 WeakPolarHBondContact O-CB 3.2Å; D24-K48 PolarHBondContact O-N 3.35Å; D24-K48 VanDerWaalsContact OD1-CD 3.32Å; D24-K48 WeakPolarHBondContact OD1-CD 3.48Å; D24-K48 WeakPolarHBondContact OD1-CE 3.45Å; D24-K48 WeakPolarHBondContact OD1-CG 3.43Å; D24-K48 IonicContact OD1-NZ 3.6Å; D24-K48 WeakPolarHBondContact OD2-CE 3.32Å; D24-K48 IonicContact OD2-NZ 2.71Å; D24-K48 PolarHBondContact OD2-NZ 2.84Å
25G97.4Very high98.4Very high11 Ų1144.1 Ų44.111%0.11325%0.248CC..SBendtrans175.2-156.9-179.800000113.7G23 N44G23-G25 VanDerWaalsContact C-N 3.34Å; G25-N44 VanDerWaalsContact CA-O 3.29Å; G25-N44 WeakPolarHBondContact CA-O 3.29Å; G25-N44 WeakPolarHBondContact CA-OD1 3.42Å; G25-N44 PolarHBondContact N-O 3.07Å
26G96.4Very high98.3Very high15 Ų1544.5 Ų44.516%0.15526%0.259CS..SBendtrans-72.6174179.800000114.5F28 N44G26-F28 PolarHBondContact O-N 3.22Å; G26-N44 PolarHBondContact N-OD1 3.36Å
27P98.2Very high98.2Very high55 Ų5551.1 Ų51.136%0.35729%0.289SS..SBendtrans-78.252.4-175.136.5-38.1000113.1V20 F114V20-P27 HydrophobicContact CG2-CB 3.68Å; P27-F114 HydrophobicContact CG-CE2 3.77Å; P27-F114 HydrophobicContact CG-CZ 4.03Å
28F98.8Very high98.2Very high17 Ų1749.3 Ų49.38%0.07528%0.282CS..  trans-130.3136.3-176.6-49.7-75.6000111.6G26 H43 N44 A56 S81 C82 A109 F114G26-F28 PolarHBondContact O-N 3.22Å; F28-H43 CarbonylContact O-C 3.48Å; F28-H43 WeakPolarHBondContact O-CA 3.47Å; F28-H43 WeakPolarHBondContact O-CB 3.44Å; F28-N44 HydrophobicContact CB-CB 4.22Å; F28-N44 HydrophobicContact CD2-CB 4.33Å; F28-N44 PolarHBondContact O-N 3.06Å; F28-A56 HydrophobicContact CB-CB 4.13Å; F28-A56 WeakPolarHBondContact O-CB 3.39Å; F28-S81 WeakPolarHBondContact CA-OG 3.36Å; F28-C82 HydrophobicContact CD1-CB 3.71Å; F28-C82 HydrophobicContact CE1-CB 3.88Å; F28-A109 HydrophobicContact CE1-CB 4.45Å; F28-F114 AromaticContact CE2-CD1 3.88Å; F28-F114 HydrophobicContact CE2-CD1 3.88Å; F28-F114 HydrophobicContact CE2-CD2 4.12Å; F28-F114 AromaticContact CE2-CE1 3.68Å; F28-F114 HydrophobicContact CE2-CE1 3.68Å; F28-F114 AromaticContact CE2-CE2 3.94Å; F28-F114 HydrophobicContact CE2-CE2 3.94Å; F28-F114 HydrophobicContact CE2-CG 4.12Å; F28-F114 AromaticContact CE2-CZ 3.73Å; F28-F114 HydrophobicContact CE2-CZ 3.73Å; F28-F114 HydrophobicContact CZ-CD1 4.06Å; F28-F114 AromaticContact CZ-CD2 3.64Å; F28-F114 HydrophobicContact CZ-CD2 3.64Å; F28-F114 HydrophobicContact CZ-CE1 4.19Å; F28-F114 AromaticContact CZ-CE2 3.79Å; F28-F114 HydrophobicContact CZ-CE2 3.79Å; F28-F114 AromaticContact CZ-CG 3.81Å; F28-F114 HydrophobicContact CZ-CG 3.81Å; F28-F114 HydrophobicContact CZ-CZ 4.08Å
29G98.9Very high98.2Very high0 Ų045.6 Ų45.60%027%0.267CS..EExtended strand (participates in β ladder)trans-139.1154.8178.700000111A12 G42 S81A12-G29 CarbonylContact O-C 3.58Å; A12-G29 VanDerWaalsContact O-CA 3.24Å; A12-G29 WeakPolarHBondContact O-CA 3.01Å; G29-G42 WeakPolarHBondContact CA-O 3.01Å; G29-S81 PolarHBondContact N-OG 3.31Å; G29-S81 PolarHBondContact O-N 2.94Å; G29-S81 PolarHBondContact O-OG 3.47Å
30A98.9Very high98.2Very high0 Ų046.1 Ų46.10%027%0.271CS..EExtended strand (participates in β ladder)trans-151.6159.6-177.600000112.3V41 G42 A56 E57 V60 L78 Y79A30-V41 WeakPolarHBondContact O-CA 3.23Å; A30-V41 WeakPolarHBondContact O-CG2 3.19Å; A30-G42 PolarHBondContact N-O 3.31Å; A30-G42 PolarHBondContact O-N 3.48Å; A30-A56 HydrophobicContact CB-CB 3.93Å; A30-E57 HydrophobicContact CB-CG 4.45Å; A30-V60 HydrophobicContact CB-CG1 4.25Å; A30-V60 HydrophobicContact CB-CG2 3.61Å; A30-V60 WeakPolarHBondContact O-CG1 3.42Å; A30-L78 HydrophobicContact CB-CD1 4.24Å; A30-Y79 CarbonylContact C-O 3.56Å; A30-Y79 WeakPolarHBondContact CA-O 3.5Å; A30-Y79 WeakPolarHBondContact CB-O 3.35Å
31A98.9Very high98.3Very high0 Ų044.4 Ų44.40%026%0.261CS..EExtended strand (participates in β ladder)trans-139.3138.7173.700000110.7L11 A40 V41 L78 Y79L11-A31 HydrophobicContact CD2-CB 4.29Å; A31-A40 CarbonylContact C-O 3.55Å; A31-A40 WeakPolarHBondContact CA-O 3.42Å; A31-V41 HydrophobicContact CB-CG2 4.02Å; A31-L78 WeakPolarHBondContact O-CA 3.38Å; A31-Y79 PolarHBondContact N-O 2.63Å; A31-Y79 PolarHBondContact O-N 3.39Å
32V98.9Very high98.3Very high0 Ų037.1 Ų37.10%023%0.227CC..EExtended strand (participates in β ladder)trans-105.1126.1167.3177.70000108.3V39 A40 V60 A64 C76 V77 L78V32-V39 HydrophobicContact CG1-CB 4.27Å; V32-V39 WeakPolarHBondContact O-CB 3.38Å; V32-V39 PolarHBondContact O-N 3.34Å; V32-A40 PolarHBondContact N-O 2.91Å; V32-A40 PolarHBondContact O-N 3.29Å; V32-V60 HydrophobicContact CG2-CB 4.06Å; V32-V60 HydrophobicContact CG2-CG2 3.75Å; V32-A64 HydrophobicContact CB-CB 3.88Å; V32-A64 HydrophobicContact CG1-CB 3.72Å; V32-A64 HydrophobicContact CG2-CB 4.05Å; V32-C76 HydrophobicContact CG1-CB 3.67Å; V32-V77 WeakPolarHBondContact CA-O 3.2Å; V32-L78 HydrophobicContact CG2-CD1 3.83Å
33V98.8Very high98.3Very high6 Ų633.5 Ų33.54%0.03620%0.202CC..EExtended strand (participates in β ladder)trans-122.2140.5-177.7178.60000109.4F8 Q37 I38 C76 V77 Y79F8-V33 HydrophobicContact CB-CG2 4.4Å; F8-V33 HydrophobicContact CD1-CG2 3.63Å; F8-V33 HydrophobicContact CD2-CG1 4.36Å; F8-V33 HydrophobicContact CD2-CG2 4.04Å; F8-V33 HydrophobicContact CE1-CG1 4.23Å; F8-V33 HydrophobicContact CE1-CG2 3.81Å; F8-V33 HydrophobicContact CE2-CG1 3.82Å; F8-V33 HydrophobicContact CE2-CG2 4.21Å; F8-V33 HydrophobicContact CG-CG2 3.77Å; F8-V33 HydrophobicContact CZ-CG1 3.75Å; F8-V33 HydrophobicContact CZ-CG2 4.1Å; V33-Q37 CarbonylContact C-O 3.56Å; V33-Q37 VanDerWaalsContact CA-O 3.28Å; V33-Q37 WeakPolarHBondContact CA-O 3.14Å; V33-Q37 WeakPolarHBondContact CG1-O 3.08Å; V33-I38 HydrophobicContact CG2-CG1 4.43Å; V33-C76 CarbonylContact O-C 3.46Å; V33-C76 VanDerWaalsContact O-CA 3.23Å; V33-C76 WeakPolarHBondContact O-CA 3.23Å; V33-V77 PolarHBondContact N-O 3.43Å; V33-V77 PolarHBondContact O-N 3.45Å; V33-Y79 HydrophobicContact CB-CD2 4.32Å; V33-Y79 HydrophobicContact CB-CE2 3.86Å; V33-Y79 HydrophobicContact CG2-CD2 3.8Å; V33-Y79 HydrophobicContact CG2-CE2 3.72Å
34K98.4Very high98.3Very high59 Ų5931.7 Ų31.726%0.25718%0.182SC..EExtended strand (participates in β ladder)trans-131.7125.8173.5175.6172.3168.8168.10108.4G36 Q37 V39 L68 D75K34-G36 VanDerWaalsContact C-N 3.27Å; K34-G36 PolarHBondContact O-N 3.17Å; K34-Q37 PolarHBondContact N-O 3.12Å; K34-Q37 WeakPolarHBondContact O-CA 3.28Å; K34-Q37 WeakPolarHBondContact O-CB 3.44Å; K34-Q37 PolarHBondContact O-N 2.9Å; K34-V39 HydrophobicContact CB-CG2 3.56Å; K34-L68 HydrophobicContact CD-CD1 4.4Å; K34-D75 WeakPolarHBondContact CE-OD2 3.45Å; K34-D75 IonicContact NZ-OD1 4Å; K34-D75 IonicContact NZ-OD2 2.75Å; K34-D75 PolarHBondContact NZ-OD2 3.4Å
35D96.8Very high98.3Very high137 Ų13731.6 Ų31.673%0.73318%0.18SC*.THydrogen-bonded Turntrans50.544.1179.6-54.7-45.4000113.5Q37D35-Q37 PolarHBondContact O-N 3.31Å
36G96.5Very high98.4Very high35 Ų3532.8 Ų32.836%0.36119%0.185SC..THydrogen-bonded Turntrans72.62.9-177.900000115.1F8 K34F8-G36 WeakPolarHBondContact CZ-O 3.46Å; K34-G36 VanDerWaalsContact C-N 3.27Å; K34-G36 PolarHBondContact O-N 3.17Å
37Q98Very high98.5Very high147 Ų14737.6 Ų37.669%0.68721%0.207SC*.EExtended strand (participates in β ladder)trans-107.4134.1179.6-58.7-171.6-1.400112V33 K34 D35 V39V33-Q37 CarbonylContact C-O 3.56Å; V33-Q37 VanDerWaalsContact CA-O 3.28Å; V33-Q37 WeakPolarHBondContact CA-O 3.14Å; V33-Q37 WeakPolarHBondContact CG1-O 3.08Å; K34-Q37 PolarHBondContact N-O 3.12Å; K34-Q37 WeakPolarHBondContact O-CA 3.28Å; K34-Q37 WeakPolarHBondContact O-CB 3.44Å; K34-Q37 PolarHBondContact O-N 2.9Å; D35-Q37 PolarHBondContact O-N 3.31Å; Q37-V39 PolarHBondContact O-N 3.35Å
38I98.6Very high98.5Very high76 Ų7640.4 Ų40.439%0.3921%0.213SC..EExtended strand (participates in β ladder)trans-69.7115.7177-60.6158.6000109.1F8 L11 V33 V41F8-I38 HydrophobicContact CD1-CG1 4.19Å; F8-I38 HydrophobicContact CE1-CD1 4.33Å; F8-I38 HydrophobicContact CE1-CG1 3.83Å; L11-I38 HydrophobicContact CD2-CD1 3.45Å; L11-I38 VanDerWaalsContact CD2-CD1 3.45Å; L11-I38 HydrophobicContact CD2-CG1 4.07Å; V33-I38 HydrophobicContact CG2-CG1 4.43Å; I38-V41 HydrophobicContact CG2-CB 4.31Å
39V98.7Very high98.5Very high14 Ų1442.6 Ų42.69%0.08523%0.229CC..EExtended strand (participates in β ladder)trans-82.7-50.9174.5-1760000109.3V32 K34 Q37 A64 K67 L68V32-V39 HydrophobicContact CG1-CB 4.27Å; V32-V39 WeakPolarHBondContact O-CB 3.38Å; V32-V39 PolarHBondContact O-N 3.34Å; K34-V39 HydrophobicContact CB-CG2 3.56Å; Q37-V39 PolarHBondContact O-N 3.35Å; V39-A64 HydrophobicContact CB-CB 4.4Å; V39-A64 HydrophobicContact CG1-CB 3.78Å; V39-K67 HydrophobicContact CG1-CB 4.47Å; V39-K67 HydrophobicContact CG1-CD 3.95Å; V39-K67 WeakPolarHBondContact O-CD 3.48Å; V39-K67 PolarHBondContact O-NZ 2.76Å; V39-L68 HydrophobicContact CG1-CD1 3.92Å; V39-L68 HydrophobicContact CG1-CD2 4.17Å; V39-L68 HydrophobicContact CG1-CG 3.82Å; V39-L68 HydrophobicContact CG2-CD1 4.49Å
40A98.8Very high98.5Very high11 Ų1149.6 Ų49.69%0.09127%0.266CS..EExtended strand (participates in β ladder)trans-146.5150.4179.500000110.7A31 V32 V60 R63 A64A31-A40 CarbonylContact C-O 3.55Å; A31-A40 WeakPolarHBondContact CA-O 3.42Å; V32-A40 PolarHBondContact N-O 2.91Å; V32-A40 PolarHBondContact O-N 3.29Å; A40-V60 HydrophobicContact CB-CB 4.29Å; A40-R63 HydrophobicContact CB-CB 3.75Å; A40-A64 HydrophobicContact CB-CB 4.08Å
41V98.8Very high98.5Very high44 Ų4451.7 Ų51.727%0.26728%0.277SS..EExtended strand (participates in β ladder)trans-141.1153.4172.975.70000108.5L11 E15 A30 A31 I38 V60 R63L11-V41 HydrophobicContact CD1-CG2 4.28Å; L11-V41 HydrophobicContact CD2-CG2 3.83Å; L11-V41 HydrophobicContact CG-CG2 3.78Å; E15-V41 HydrophobicContact CG-CG1 4.5Å; E15-V41 HydrophobicContact CG-CG2 3.7Å; A30-V41 WeakPolarHBondContact O-CA 3.23Å; A30-V41 WeakPolarHBondContact O-CG2 3.19Å; A31-V41 HydrophobicContact CB-CG2 4.02Å; I38-V41 HydrophobicContact CG2-CB 4.31Å; V41-V60 VanDerWaalsContact C-CG1 3.45Å; V41-R63 PolarHBondContact O-NH1 2.91Å
42G98.8Very high98.4Very high1 Ų156.2 Ų56.21%0.0131%0.306CS..EExtended strand (participates in β ladder)trans172.4178.7177.200000112.6G29 A30 V60G29-G42 WeakPolarHBondContact CA-O 3.01Å; A30-G42 PolarHBondContact N-O 3.31Å; A30-G42 PolarHBondContact O-N 3.48Å; G42-V60 VanDerWaalsContact N-CG1 3.28Å
43H98.9Very high98.4Very high6 Ų658.2 Ų58.23%0.02832%0.319CS..EExtended strand (participates in β ladder)trans-124.9179.7-178.751.8-95.8000111.9E15 G19 D24 F28 E45E15-H43 HydrophobicContact CB-CB 4.4Å; E15-H43 WeakPolarHBondContact O-CB 3.32Å; E15-H43 IonicContact OE2-CE1 3.56Å; E15-H43 IonicContact OE2-CG 2.67Å; E15-H43 IonicContact OE2-ND1 2.73Å; E15-H43 PolarHBondContact OE2-ND1 3.48Å; G19-H43 WeakPolarHBondContact CA-CD2 3.48Å; D24-H43 WeakPolarHBondContact CB-NE2 3.35Å; D24-H43 IonicContact OD2-CE1 3.9Å; D24-H43 IonicContact OD2-NE2 3.14Å; D24-H43 PolarHBondContact OD2-NE2 2.97Å; D24-H43 VanDerWaalsContact OD2-NE2 3.14Å; F28-H43 CarbonylContact O-C 3.48Å; F28-H43 WeakPolarHBondContact O-CA 3.47Å; F28-H43 WeakPolarHBondContact O-CB 3.44Å; H43-E45 PolarHBondContact O-N 3.46Å
44N98.8Very high98.4Very high8 Ų858.1 Ų58.14%0.04332%0.318CS..  trans-63.2121.7172.7-177.2-66.7000109.8D24 G25 G26 F28 V46D24-N44 CarbonylContact C-O 3.54Å; G25-N44 VanDerWaalsContact CA-O 3.29Å; G25-N44 WeakPolarHBondContact CA-O 3.29Å; G25-N44 WeakPolarHBondContact CA-OD1 3.42Å; G25-N44 PolarHBondContact N-O 3.07Å; G26-N44 PolarHBondContact N-OD1 3.36Å; F28-N44 HydrophobicContact CB-CB 4.22Å; F28-N44 HydrophobicContact CD2-CB 4.33Å; F28-N44 PolarHBondContact O-N 3.06Å; N44-V46 WeakPolarHBondContact OD1-CB 3.27Å; N44-V46 VanDerWaalsContact OD1-CG2 3.32Å; N44-V46 WeakPolarHBondContact OD1-CG2 3.35Å; N44-V46 PolarHBondContact OD1-N 3.1Å
45E98.8Very high98.4Very high22 Ų2257 Ų5710%0.10331%0.314CS..  trans-116.222.7-177.2-68.8-179.7171.200111.6D24 H43 L47 K48 T49 A54 R63D24-E45 CarbonylContact O-C 3.51Å; D24-E45 VanDerWaalsContact O-C 3.25Å; D24-E45 WeakPolarHBondContact O-CA 3.27Å; H43-E45 PolarHBondContact O-N 3.46Å; E45-L47 VanDerWaalsContact C-N 3.32Å; E45-L47 PolarHBondContact O-N 2.84Å; E45-K48 HydrophobicContact CB-CB 4.34Å; E45-K48 HydrophobicContact CB-CD 4.44Å; E45-K48 HydrophobicContact CG-CD 4.23Å; E45-K48 PolarHBondContact O-N 2.9Å; E45-T49 HydrophobicContact CB-CG2 4.02Å; E45-T49 WeakPolarHBondContact O-CB 3.42Å; E45-T49 PolarHBondContact O-N 3.11Å; E45-T49 PolarHBondContact O-OG1 2.95Å; E45-A54 HydrophobicContact CB-CB 4.24Å; E45-A54 PolarHBondContact N-O 2.93Å; E45-R63 IonicContact OE1-CZ 2.88Å; E45-R63 IonicContact OE1-NH1 3.91Å; E45-R63 IonicContact OE1-NH2 2.96Å; E45-R63 PolarHBondContact OE1-NH2 2.9Å; E45-R63 IonicContact OE2-NH2 3.88Å; E45-R63 PolarHBondContact OE2-NH2 2.87Å
46V98.8Very high98.5Very high36 Ų3650.5 Ų50.522%0.21828%0.279CS..Hα-helixtrans-56.4-45.3-174.6168.80000111.7N44 N50 D51N44-V46 WeakPolarHBondContact OD1-CB 3.27Å; N44-V46 VanDerWaalsContact OD1-CG2 3.32Å; N44-V46 WeakPolarHBondContact OD1-CG2 3.35Å; N44-V46 PolarHBondContact OD1-N 3.1Å; V46-N50 WeakPolarHBondContact O-CA 3.28Å; V46-N50 PolarHBondContact O-N 3.28Å; V46-D51 WeakPolarHBondContact CA-O 3.21Å; V46-D51 PolarHBondContact O-N 3.43Å
47L98.4Very high98.7Very high116 Ų11649.2 Ų49.261%0.60726%0.264SS*.Hα-helixtrans-74.6-42.6-178.7-58.7178.9000111.2D24 E45 T49D24-L47 WeakPolarHBondContact O-CB 3.49Å; D24-L47 PolarHBondContact O-N 2.95Å; D24-L47 VanDerWaalsContact O-N 3.12Å; E45-L47 VanDerWaalsContact C-N 3.32Å; E45-L47 PolarHBondContact O-N 2.84Å; L47-T49 PolarHBondContact O-N 2.68Å
48K98.5Very high98.7Very high113 Ų11342.8 Ų42.849%0.49123%0.234SC..Hα-helixtrans-59.7-43.9-179.8-172.5-170.1-156.3153.10112.9D24 E45D24-K48 HydrophobicContact CB-CB 4Å; D24-K48 HydrophobicContact CB-CD 4.16Å; D24-K48 VanDerWaalsContact CG-CD 3.48Å; D24-K48 WeakPolarHBondContact O-CB 3.2Å; D24-K48 PolarHBondContact O-N 3.35Å; D24-K48 VanDerWaalsContact OD1-CD 3.32Å; D24-K48 WeakPolarHBondContact OD1-CD 3.48Å; D24-K48 WeakPolarHBondContact OD1-CE 3.45Å; D24-K48 WeakPolarHBondContact OD1-CG 3.43Å; D24-K48 IonicContact OD1-NZ 3.6Å; D24-K48 WeakPolarHBondContact OD2-CE 3.32Å; D24-K48 IonicContact OD2-NZ 2.71Å; D24-K48 PolarHBondContact OD2-NZ 2.84Å; E45-K48 HydrophobicContact CB-CB 4.34Å; E45-K48 HydrophobicContact CB-CD 4.44Å; E45-K48 HydrophobicContact CG-CD 4.23Å; E45-K48 PolarHBondContact O-N 2.9Å
49T98.3Very high98.7Very high64 Ų6439.6 Ų39.639%0.39322%0.219SC..Hα-helixtrans-99.6-7.6-170.259.40000113.5E45 L47 D51 A54E45-T49 HydrophobicContact CB-CG2 4.02Å; E45-T49 WeakPolarHBondContact O-CB 3.42Å; E45-T49 PolarHBondContact O-N 3.11Å; E45-T49 PolarHBondContact O-OG1 2.95Å; L47-T49 PolarHBondContact O-N 2.68Å; T49-D51 PolarHBondContact O-N 3.14Å; T49-D51 WeakPolarHBondContact OG1-CB 3.5Å; T49-D51 PolarHBondContact OG1-N 3.37Å; T49-A54 WeakPolarHBondContact OG1-CB 3.5Å
50N98.4Very high98.7Very high147 Ų14739 Ų3979%0.78622%0.215SC*.THydrogen-bonded Turntrans51.833.7-167.4-64.3-75.6000112.3V46V46-N50 WeakPolarHBondContact O-CA 3.28Å; V46-N50 PolarHBondContact O-N 3.28Å
51D98.7Very high98.7Very high44 Ų4439.2 Ų39.224%0.23521%0.214CC..  trans-115.4107.2177.21783.8000109V46 T49 T53 A54 R62V46-D51 WeakPolarHBondContact CA-O 3.21Å; V46-D51 PolarHBondContact O-N 3.43Å; T49-D51 PolarHBondContact O-N 3.14Å; T49-D51 WeakPolarHBondContact OG1-CB 3.5Å; T49-D51 PolarHBondContact OG1-N 3.37Å; D51-T53 PolarHBondContact O-N 3.07Å; D51-T53 WeakPolarHBondContact OD1-CA 3.18Å; D51-T53 VanDerWaalsContact OD1-CB 3.29Å; D51-T53 WeakPolarHBondContact OD1-CB 3.43Å; D51-T53 PolarHBondContact OD1-N 2.89Å; D51-T53 PolarHBondContact OD1-OG1 3.28Å; D51-T53 PolarHBondContact OD2-OG1 3.35Å; D51-A54 HydrophobicContact CB-CB 3.93Å; D51-A54 WeakPolarHBondContact O-CB 3.35Å; D51-A54 PolarHBondContact O-N 3.41Å; D51-R62 IonicContact OD2-NH1 3.05Å; D51-R62 PolarHBondContact OD2-NH1 2.98Å
52P98.4Very high98.7Very high94 Ų9443.3 Ų43.361%0.6123%0.225SC*.THydrogen-bonded Turntrans-64.1-11.6177.928.6-35.3000113
53T98.7Very high98.7Very high43 Ų4347.9 Ų47.926%0.26424%0.242SC..THydrogen-bonded Turntrans-90.1-7.6174.8770000113.4D51 H55 V58 R62 M87D51-T53 PolarHBondContact O-N 3.07Å; D51-T53 WeakPolarHBondContact OD1-CA 3.18Å; D51-T53 VanDerWaalsContact OD1-CB 3.29Å; D51-T53 WeakPolarHBondContact OD1-CB 3.43Å; D51-T53 PolarHBondContact OD1-N 2.89Å; D51-T53 PolarHBondContact OD1-OG1 3.28Å; D51-T53 PolarHBondContact OD2-OG1 3.35Å; T53-H55 PolarHBondContact O-N 3.45Å; T53-V58 VanDerWaalsContact O-CB 3.3Å; T53-V58 WeakPolarHBondContact O-CB 3.24Å; T53-V58 VanDerWaalsContact O-CG1 3.32Å; T53-V58 WeakPolarHBondContact O-CG1 3.39Å; T53-R62 PolarHBondContact OG1-NH2 2.97Å; T53-M87 HydrophobicContact CG2-SD 4.08Å
54A98.7Very high98.7Very high3 Ų347.6 Ų47.63%0.02524%0.241CC..  trans-76.645-177.700000113.4E45 T49 D51E45-A54 HydrophobicContact CB-CB 4.24Å; E45-A54 PolarHBondContact N-O 2.93Å; T49-A54 WeakPolarHBondContact OG1-CB 3.5Å; D51-A54 HydrophobicContact CB-CB 3.93Å; D51-A54 WeakPolarHBondContact O-CB 3.35Å; D51-A54 PolarHBondContact O-N 3.41Å
55H98.8Very high98.7Very high37 Ų3748.2 Ų48.217%0.17125%0.247CC..  trans-64.5157.3167.1-75-144.4000110.4T53 E57 V58 T59 M87 C88T53-H55 PolarHBondContact O-N 3.45Å; H55-E57 VanDerWaalsContact C-N 3.31Å; H55-E57 PolarHBondContact O-N 2.96Å; H55-V58 HydrophobicContact CB-CG2 4.48Å; H55-V58 PolarHBondContact O-N 3.45Å; H55-T59 VanDerWaalsContact O-CB 3.31Å; H55-T59 WeakPolarHBondContact O-CB 3.43Å; H55-T59 PolarHBondContact O-N 2.88Å; H55-T59 PolarHBondContact O-OG1 2.85Å; H55-M87 HydrophobicContact CB-CE 4.04Å; H55-M87 VanDerWaalsContact CD2-CE 3.45Å; H55-M87 WeakPolarHBondContact CD2-CE 3.31Å; H55-M87 VanDerWaalsContact CG-CE 3.44Å; H55-C88 WeakPolarHBondContact CB-SG 3.48Å
56A98.9Very high98.7Very high0 Ų051 Ų510%027%0.274CS..Hα-helixtrans-55.7-47.5-174.700000111.7F28 A30 T59 V60F28-A56 HydrophobicContact CB-CB 4.13Å; F28-A56 WeakPolarHBondContact O-CB 3.39Å; A30-A56 HydrophobicContact CB-CB 3.93Å; A56-T59 PolarHBondContact O-N 3.48Å; A56-V60 WeakPolarHBondContact O-CG2 3.38Å; A56-V60 PolarHBondContact O-N 3.03Å
57E98.9Very high98.7Very high8 Ų856.1 Ų56.14%0.03729%0.293CS..Hα-helixtrans-63.1-47.1-178.6-49.596.3111.400111.4A30 H55 T59 V60 I61 L78 P84 C88A30-E57 HydrophobicContact CB-CG 4.45Å; H55-E57 VanDerWaalsContact C-N 3.31Å; H55-E57 PolarHBondContact O-N 2.96Å; E57-T59 VanDerWaalsContact C-N 3.34Å; E57-T59 PolarHBondContact O-N 3.27Å; E57-V60 WeakPolarHBondContact O-CG2 3.3Å; E57-V60 PolarHBondContact O-N 3.37Å; E57-I61 VanDerWaalsContact O-CB 3.31Å; E57-I61 WeakPolarHBondContact O-CB 3.31Å; E57-I61 WeakPolarHBondContact O-CD1 3.5Å; E57-I61 WeakPolarHBondContact O-CG1 3.43Å; E57-I61 PolarHBondContact O-N 3.11Å; E57-L78 HydrophobicContact CB-CD2 4.13Å; E57-L78 HydrophobicContact CG-CD2 4.21Å; E57-P84 VanDerWaalsContact OE1-CA 3.26Å; E57-P84 WeakPolarHBondContact OE1-CA 3.15Å; E57-C88 HydrophobicContact CB-CB 3.94Å; E57-C88 HydrophobicContact CG-CB 4.14Å; E57-C88 WeakPolarHBondContact OE1-CB 3.45Å; E57-C88 PolarHBondContact OE1-SG 3.01Å; E57-C88 PolarHBondContact OE2-SG 3.31Å; E57-C88 VanDerWaalsContact OE2-SG 3.37Å
58V98.9Very high98.7Very high11 Ų1153.5 Ų53.57%0.06728%0.279CS..Hα-helixtrans-63-43.7177.5174.80000110.5T53 H55 I61 R62 M87 A91T53-V58 VanDerWaalsContact O-CB 3.3Å; T53-V58 WeakPolarHBondContact O-CB 3.24Å; T53-V58 VanDerWaalsContact O-CG1 3.32Å; T53-V58 WeakPolarHBondContact O-CG1 3.39Å; H55-V58 HydrophobicContact CB-CG2 4.48Å; H55-V58 PolarHBondContact O-N 3.45Å; V58-I61 PolarHBondContact O-N 3.35Å; V58-R62 HydrophobicContact CG1-CG 4.35Å; V58-R62 WeakPolarHBondContact O-CB 3.15Å; V58-R62 VanDerWaalsContact O-CG 3.3Å; V58-R62 WeakPolarHBondContact O-CG 3.49Å; V58-R62 PolarHBondContact O-N 3.49Å; V58-M87 HydrophobicContact CG2-CE 4.32Å; V58-A91 HydrophobicContact CG2-CB 4.15Å
59T98.9Very high98.7Very high10 Ų1051.7 Ų51.76%0.06129%0.292CS..Hα-helixtrans-60-48.8179.1-66.20000111.2H55 A56 E57 R62 R63H55-T59 VanDerWaalsContact O-CB 3.31Å; H55-T59 WeakPolarHBondContact O-CB 3.43Å; H55-T59 PolarHBondContact O-N 2.88Å; H55-T59 PolarHBondContact O-OG1 2.85Å; A56-T59 PolarHBondContact O-N 3.48Å; E57-T59 VanDerWaalsContact C-N 3.34Å; E57-T59 PolarHBondContact O-N 3.27Å; T59-R62 PolarHBondContact O-N 3.3Å; T59-R63 WeakPolarHBondContact O-CB 3.3Å; T59-R63 VanDerWaalsContact O-CG 3.27Å; T59-R63 WeakPolarHBondContact O-CG 3.28Å; T59-R63 PolarHBondContact O-N 2.82Å
60V98.9Very high98.7Very high0 Ų051.1 Ų51.10%029%0.289CS..Hα-helixtrans-72.7-32.8179.9-60.30000113.2A30 V32 A40 V41 G42 A56 E57 R63 A64 L78A30-V60 HydrophobicContact CB-CG1 4.25Å; A30-V60 HydrophobicContact CB-CG2 3.61Å; A30-V60 WeakPolarHBondContact O-CG1 3.42Å; V32-V60 HydrophobicContact CG2-CB 4.06Å; V32-V60 HydrophobicContact CG2-CG2 3.75Å; A40-V60 HydrophobicContact CB-CB 4.29Å; V41-V60 VanDerWaalsContact C-CG1 3.45Å; G42-V60 VanDerWaalsContact N-CG1 3.28Å; A56-V60 WeakPolarHBondContact O-CG2 3.38Å; A56-V60 PolarHBondContact O-N 3.03Å; E57-V60 WeakPolarHBondContact O-CG2 3.3Å; E57-V60 PolarHBondContact O-N 3.37Å; V60-R63 PolarHBondContact O-N 3.04Å; V60-A64 VanDerWaalsContact O-CB 3.23Å; V60-A64 WeakPolarHBondContact O-CB 3.32Å; V60-A64 PolarHBondContact O-N 3.41Å; V60-L78 HydrophobicContact CG2-CD1 3.62Å
61I98.9Very high98.6Very high16 Ų1648.7 Ų48.78%0.08227%0.269CS..Hα-helixtrans-62.4-48.4172.6-73.9166.3000110.2E57 V58 R63 A64 A65 L73 A91 T92 L97E57-I61 VanDerWaalsContact O-CB 3.31Å; E57-I61 WeakPolarHBondContact O-CB 3.31Å; E57-I61 WeakPolarHBondContact O-CD1 3.5Å; E57-I61 WeakPolarHBondContact O-CG1 3.43Å; E57-I61 PolarHBondContact O-N 3.11Å; V58-I61 PolarHBondContact O-N 3.35Å; I61-R63 PolarHBondContact O-N 3.3Å; I61-A64 PolarHBondContact O-N 2.92Å; I61-A65 VanDerWaalsContact O-CB 3.3Å; I61-A65 WeakPolarHBondContact O-CB 3.39Å; I61-A65 PolarHBondContact O-N 3.15Å; I61-L73 HydrophobicContact CB-CD1 4.48Å; I61-L73 HydrophobicContact CG1-CD1 4.48Å; I61-L73 HydrophobicContact CG2-CD1 4.06Å; I61-A91 HydrophobicContact CD1-CB 4.13Å; I61-T92 HydrophobicContact CD1-CG2 4.18Å; I61-L97 HydrophobicContact CD1-CD1 3.93Å; I61-L97 HydrophobicContact CG1-CD1 4.08Å
62R98.8Very high98.5Very high131 Ų13150.6 Ų50.649%0.49428%0.276SS..Hα-helixtrans-58.3-46.7176.7-74.8176.1178.2170.65111.2D51 T53 V58 T59 A66D51-R62 IonicContact OD2-NH1 3.05Å; D51-R62 PolarHBondContact OD2-NH1 2.98Å; T53-R62 PolarHBondContact OG1-NH2 2.97Å; V58-R62 HydrophobicContact CG1-CG 4.35Å; V58-R62 WeakPolarHBondContact O-CB 3.15Å; V58-R62 VanDerWaalsContact O-CG 3.3Å; V58-R62 WeakPolarHBondContact O-CG 3.49Å; V58-R62 PolarHBondContact O-N 3.49Å; T59-R62 PolarHBondContact O-N 3.3Å; R62-A66 WeakPolarHBondContact O-CB 3.46Å; R62-A66 PolarHBondContact O-N 3.13Å
63R98.8Very high98.5Very high97 Ų9746.1 Ų46.137%0.36625%0.247SC..Hα-helixtrans-63.2-43.9178.2-72.6172.1-176.9175.44.5112.1A40 V41 E45 T59 V60 I61 A66 K67A40-R63 HydrophobicContact CB-CB 3.75Å; V41-R63 PolarHBondContact O-NH1 2.91Å; E45-R63 IonicContact OE1-CZ 2.88Å; E45-R63 IonicContact OE1-NH1 3.91Å; E45-R63 IonicContact OE1-NH2 2.96Å; E45-R63 PolarHBondContact OE1-NH2 2.9Å; E45-R63 IonicContact OE2-NH2 3.88Å; E45-R63 PolarHBondContact OE2-NH2 2.87Å; T59-R63 WeakPolarHBondContact O-CB 3.3Å; T59-R63 VanDerWaalsContact O-CG 3.27Å; T59-R63 WeakPolarHBondContact O-CG 3.28Å; T59-R63 PolarHBondContact O-N 2.82Å; V60-R63 PolarHBondContact O-N 3.04Å; I61-R63 PolarHBondContact O-N 3.3Å; R63-A66 PolarHBondContact O-N 3.14Å; R63-K67 VanDerWaalsContact O-CB 3.29Å; R63-K67 WeakPolarHBondContact O-CB 3.19Å; R63-K67 PolarHBondContact O-N 3.47Å
64A98.9Very high98.4Very high0 Ų047.1 Ų47.10%026%0.256CS..Hα-helixtrans-64.8-46.8178.900000111.7V32 V39 A40 V60 I61 A66 K67 L68 L73V32-A64 HydrophobicContact CB-CB 3.88Å; V32-A64 HydrophobicContact CG1-CB 3.72Å; V32-A64 HydrophobicContact CG2-CB 4.05Å; V39-A64 HydrophobicContact CB-CB 4.4Å; V39-A64 HydrophobicContact CG1-CB 3.78Å; A40-A64 HydrophobicContact CB-CB 4.08Å; V60-A64 VanDerWaalsContact O-CB 3.23Å; V60-A64 WeakPolarHBondContact O-CB 3.32Å; V60-A64 PolarHBondContact O-N 3.41Å; I61-A64 PolarHBondContact O-N 2.92Å; A64-A66 PolarHBondContact O-N 2.94Å; A64-K67 PolarHBondContact O-N 2.66Å; A64-L68 WeakPolarHBondContact O-CB 3.33Å; A64-L68 WeakPolarHBondContact O-CG 3.43Å; A64-L68 PolarHBondContact O-N 3.07Å; A64-L73 HydrophobicContact CB-CD1 4.03Å; A64-L73 HydrophobicContact CB-CD2 4.22Å
65A98.7Very high98.4Very high21 Ų2150 Ų5017%0.17427%0.271CS..Hα-helixtrans-58-47176.600000111.8I61 L68 G69 T70I61-A65 VanDerWaalsContact O-CB 3.3Å; I61-A65 WeakPolarHBondContact O-CB 3.39Å; I61-A65 PolarHBondContact O-N 3.15Å; A65-L68 PolarHBondContact O-N 3.17Å; A65-G69 PolarHBondContact O-N 2.93Å; A65-T70 CarbonylContact C-O 3.45Å; A65-T70 WeakPolarHBondContact CA-O 3.5Å; A65-T70 WeakPolarHBondContact CB-O 3.47Å; A65-T70 PolarHBondContact O-N 2.85Å; A65-T70 VanDerWaalsContact O-N 3.1Å
66A98.7Very high98.4Very high81 Ų8148.2 Ų48.267%0.66926%0.263SS*.Hα-helixtrans-62.5-44.8176.500000112.2R62 R63 A64 L68 G69R62-A66 WeakPolarHBondContact O-CB 3.46Å; R62-A66 PolarHBondContact O-N 3.13Å; R63-A66 PolarHBondContact O-N 3.14Å; A64-A66 PolarHBondContact O-N 2.94Å; A66-L68 PolarHBondContact O-N 3.26Å; A66-G69 PolarHBondContact O-N 2.8Å
67K98.6Very high98.3Very high142 Ų14249.1 Ų49.162%0.61727%0.268SS*.Hα-helixtrans-64.1-38.7-179.9-172.1-178.4-174.3-175.10112.5V39 R63 A64V39-K67 HydrophobicContact CG1-CB 4.47Å; V39-K67 HydrophobicContact CG1-CD 3.95Å; V39-K67 WeakPolarHBondContact O-CD 3.48Å; V39-K67 PolarHBondContact O-NZ 2.76Å; R63-K67 VanDerWaalsContact O-CB 3.29Å; R63-K67 WeakPolarHBondContact O-CB 3.19Å; R63-K67 PolarHBondContact O-N 3.47Å; A64-K67 PolarHBondContact O-N 2.66Å
68L98.4Very high98.3Very high62 Ų6248.7 Ų48.733%0.32527%0.266SS..Hα-helixtrans-87.4-8.3-179.3-63.6176000113.1K34 V39 A64 A65 A66 T70 L73K34-L68 HydrophobicContact CD-CD1 4.4Å; V39-L68 HydrophobicContact CG1-CD1 3.92Å; V39-L68 HydrophobicContact CG1-CD2 4.17Å; V39-L68 HydrophobicContact CG1-CG 3.82Å; V39-L68 HydrophobicContact CG2-CD1 4.49Å; A64-L68 WeakPolarHBondContact O-CB 3.33Å; A64-L68 WeakPolarHBondContact O-CG 3.43Å; A64-L68 PolarHBondContact O-N 3.07Å; A65-L68 PolarHBondContact O-N 3.17Å; A66-L68 PolarHBondContact O-N 3.26Å; L68-T70 VanDerWaalsContact C-N 3.28Å; L68-T70 HydrophobicContact CB-CG2 3.69Å; L68-T70 PolarHBondContact O-N 2.85Å; L68-L73 HydrophobicContact CD1-CD2 3.89Å
69G98.2Very high98.3Very high74 Ų7449 Ų4976%0.76327%0.266SS*.THydrogen-bonded Turntrans65.229.1-177.400000113.5A65 A66A65-G69 PolarHBondContact O-N 2.93Å; A66-G69 PolarHBondContact O-N 2.8Å
70T97.8Very high98.3Very high53 Ų5348.5 Ų48.533%0.32526%0.264SS..  trans-143.9147.2-176.8176.90000111.3A65 L68 Q72A65-T70 CarbonylContact C-O 3.45Å; A65-T70 WeakPolarHBondContact CA-O 3.5Å; A65-T70 WeakPolarHBondContact CB-O 3.47Å; A65-T70 PolarHBondContact O-N 2.85Å; A65-T70 VanDerWaalsContact O-N 3.1Å; L68-T70 VanDerWaalsContact C-N 3.28Å; L68-T70 HydrophobicContact CB-CG2 3.69Å; L68-T70 PolarHBondContact O-N 2.85Å; T70-Q72 WeakPolarHBondContact CG2-O 3.37Å; T70-Q72 PolarHBondContact OG1-N 3.36Å; T70-Q72 PolarHBondContact OG1-O 2.97Å
71W96.2Very high98.3Very high95 Ų9548.8 Ų48.836%0.3627%0.265SS..SBendtrans-87.7-13.2170.958.7-94.9000112.8T155 P156 Y157W71-T155 HydrophobicContact CZ2-CG2 4.32Å; W71-P156 WeakPolarHBondContact CH2-O 3.18Å; W71-P156 WeakPolarHBondContact CZ2-O 3.44Å; W71-Y157 VanDerWaalsContact CH2-CB 3.45Å; W71-Y157 VanDerWaalsContact CZ3-CB 3.46Å; W71-Y157 WeakPolarHBondContact CZ3-OXT 3.28Å
72Q96.6Very high98.3Very high84 Ų8448.1 Ų48.139%0.39326%0.262SS..  trans-94.6121.3173.9-67.5-176.854.300110.2T70T70-Q72 WeakPolarHBondContact CG2-O 3.37Å; T70-Q72 PolarHBondContact OG1-N 3.36Å; T70-Q72 PolarHBondContact OG1-O 2.97Å
73L98.5Very high98.3Very high0 Ų044.3 Ų44.30%025%0.249CC..  trans-110.836.6176.1-58-177.9000110.6I61 A64 L68 D75 C76 S95 L97I61-L73 HydrophobicContact CB-CD1 4.48Å; I61-L73 HydrophobicContact CG1-CD1 4.48Å; I61-L73 HydrophobicContact CG2-CD1 4.06Å; A64-L73 HydrophobicContact CB-CD1 4.03Å; A64-L73 HydrophobicContact CB-CD2 4.22Å; L68-L73 HydrophobicContact CD1-CD2 3.89Å; L73-D75 PolarHBondContact O-N 3.04Å; L73-C76 HydrophobicContact CB-CB 3.98Å; L73-C76 WeakPolarHBondContact O-CA 3.46Å; L73-C76 VanDerWaalsContact O-CB 3.32Å; L73-C76 WeakPolarHBondContact O-CB 3.46Å; L73-C76 PolarHBondContact O-N 2.85Å; L73-S95 PolarHBondContact N-O 3.43Å; L73-L97 HydrophobicContact CB-CD2 3.8Å; L73-L97 HydrophobicContact CB-CG 4.26Å; L73-L97 HydrophobicContact CD1-CD2 4.26Å; L73-L97 WeakPolarHBondContact O-CA 3.32Å
74S97.8Very high98.3Very high64 Ų6440 Ų4045%0.44823%0.234SC..THydrogen-bonded Turntrans-70.8-14-171.149.90000115.6R96S74-R96 WeakPolarHBondContact CA-O 3.37Å
75D97.5Very high98.3Very high64 Ų6440.1 Ų40.134%0.34224%0.235SC..THydrogen-bonded Turntrans-101.18.4170.7565000112.5K34 L73K34-D75 WeakPolarHBondContact CE-OD2 3.45Å; K34-D75 IonicContact NZ-OD1 4Å; K34-D75 IonicContact NZ-OD2 2.75Å; K34-D75 PolarHBondContact NZ-OD2 3.4Å; L73-D75 PolarHBondContact O-N 3.04Å
76C98.8Very high98.2Very high0 Ų040 Ų400%023%0.232CC..EExtended strand (participates in β ladder)trans-111151.2-179.8-55.70000111.7V32 V33 L73 L97 Q98V32-C76 HydrophobicContact CG1-CB 3.67Å; V33-C76 CarbonylContact O-C 3.46Å; V33-C76 VanDerWaalsContact O-CA 3.23Å; V33-C76 WeakPolarHBondContact O-CA 3.23Å; L73-C76 HydrophobicContact CB-CB 3.98Å; L73-C76 WeakPolarHBondContact O-CA 3.46Å; L73-C76 VanDerWaalsContact O-CB 3.32Å; L73-C76 WeakPolarHBondContact O-CB 3.46Å; L73-C76 PolarHBondContact O-N 2.85Å; C76-L97 HydrophobicContact CB-CD2 3.81Å; C76-L97 WeakPolarHBondContact O-CD2 3.24Å; C76-Q98 VanDerWaalsContact O-CB 3.28Å; C76-Q98 WeakPolarHBondContact O-CB 3.38Å; C76-Q98 PolarHBondContact O-N 3.03Å
77V98.7Very high98.2Very high18 Ų1839.6 Ų39.611%0.10922%0.217CC..EExtended strand (participates in β ladder)trans-115.1137.2173.6179.50000108.9V32 V33 Y79 Q98 R99 Y101V32-V77 WeakPolarHBondContact CA-O 3.2Å; V33-V77 PolarHBondContact N-O 3.43Å; V33-V77 PolarHBondContact O-N 3.45Å; V77-Y79 HydrophobicContact CB-CE2 3.88Å; V77-Y79 HydrophobicContact CG1-CD2 4.15Å; V77-Y79 HydrophobicContact CG1-CE1 4.36Å; V77-Y79 HydrophobicContact CG1-CE2 3.51Å; V77-Q98 HydrophobicContact CG2-CB 4.35Å; V77-R99 HydrophobicContact CG1-CB 4.2Å; V77-R99 HydrophobicContact CG2-CB 4.42Å; V77-Y101 HydrophobicContact CG1-CD2 3.62Å; V77-Y101 HydrophobicContact CG1-CE2 3.78Å
78L98.9Very high98.2Very high0 Ų032.8 Ų32.80%019%0.188CC..EExtended strand (participates in β ladder)trans-97.1135.5172.3-178.774.3000110.1A30 A31 V32 E57 V60 T92 L97 R99 V100 Y101A30-L78 HydrophobicContact CB-CD1 4.24Å; A31-L78 WeakPolarHBondContact O-CA 3.38Å; V32-L78 HydrophobicContact CG2-CD1 3.83Å; E57-L78 HydrophobicContact CB-CD2 4.13Å; E57-L78 HydrophobicContact CG-CD2 4.21Å; V60-L78 HydrophobicContact CG2-CD1 3.62Å; L78-T92 HydrophobicContact CD2-CG2 3.62Å; L78-L97 HydrophobicContact CB-CD1 3.65Å; L78-L97 HydrophobicContact CB-CD2 4.39Å; L78-L97 HydrophobicContact CD2-CD1 4.07Å; L78-L97 HydrophobicContact CG-CD1 4.35Å; L78-R99 PolarHBondContact N-O 3.33Å; L78-V100 HydrophobicContact CB-CG1 4.42Å; L78-V100 HydrophobicContact CB-CG2 4.25Å; L78-V100 HydrophobicContact CD2-CG1 4.02Å; L78-V100 HydrophobicContact CD2-CG2 4.19Å; L78-V100 HydrophobicContact CG-CG1 4.39Å; L78-V100 CarbonylContact O-C 3.59Å; L78-V100 VanDerWaalsContact O-CA 3.3Å; L78-V100 WeakPolarHBondContact O-CA 3.3Å; L78-Y101 PolarHBondContact O-N 3.01Å
79Y98.8Very high98.2Very high16 Ų1634.3 Ų34.36%0.06319%0.192CC..EExtended strand (participates in β ladder)trans-117.6124.7170.5-62.1-92.5000107.3V5 F8 L9 A30 A31 V33 V77 Y101V5-Y79 HydrophobicContact CB-CE1 4.26Å; V5-Y79 HydrophobicContact CG1-CE1 4.11Å; V5-Y79 HydrophobicContact CG2-CE1 4.24Å; F8-Y79 HydrophobicContact CB-CD1 3.61Å; F8-Y79 HydrophobicContact CB-CD2 3.6Å; F8-Y79 HydrophobicContact CB-CE1 3.83Å; F8-Y79 HydrophobicContact CB-CE2 3.83Å; F8-Y79 HydrophobicContact CB-CG 3.48Å; F8-Y79 VanDerWaalsContact CB-CG 3.48Å; F8-Y79 HydrophobicContact CD2-CD2 4.4Å; F8-Y79 HydrophobicContact CD2-CE1 4.19Å; F8-Y79 AromaticContact CD2-CE2 3.77Å; F8-Y79 HydrophobicContact CD2-CE2 3.77Å; F8-Y79 AromaticContact CD2-CZ 3.64Å; F8-Y79 HydrophobicContact CG-CD2 4.19Å; F8-Y79 HydrophobicContact CG-CE2 4.02Å; L9-Y79 HydrophobicContact CD2-CD1 4.21Å; L9-Y79 HydrophobicContact CG-CD1 4.05Å; A30-Y79 CarbonylContact C-O 3.56Å; A30-Y79 WeakPolarHBondContact CA-O 3.5Å; A30-Y79 WeakPolarHBondContact CB-O 3.35Å; A31-Y79 PolarHBondContact N-O 2.63Å; A31-Y79 PolarHBondContact O-N 3.39Å; V33-Y79 HydrophobicContact CB-CD2 4.32Å; V33-Y79 HydrophobicContact CB-CE2 3.86Å; V33-Y79 HydrophobicContact CG2-CD2 3.8Å; V33-Y79 HydrophobicContact CG2-CE2 3.72Å; V77-Y79 HydrophobicContact CB-CE2 3.88Å; V77-Y79 HydrophobicContact CG1-CD2 4.15Å; V77-Y79 HydrophobicContact CG1-CE1 4.36Å; V77-Y79 HydrophobicContact CG1-CE2 3.51Å; Y79-Y101 WeakPolarHBondContact CA-O 3.27Å; Y79-Y101 AromaticContact CD1-CD2 3.93Å; Y79-Y101 HydrophobicContact CD1-CD2 3.93Å; Y79-Y101 HydrophobicContact CD1-CG 4.15Å; Y79-Y101 AromaticContact CE1-CD2 3.4Å; Y79-Y101 HydrophobicContact CE1-CD2 3.4Å; Y79-Y101 VanDerWaalsContact CE1-CD2 3.4Å; Y79-Y101 HydrophobicContact CE1-CE2 4.11Å; Y79-Y101 AromaticContact CE1-CG 3.93Å; Y79-Y101 HydrophobicContact CE1-CG 3.93Å; Y79-Y101 AromaticContact CZ-CD2 3.9Å
80S98.8Very high98.2Very high1 Ų131.9 Ų31.91%0.00717%0.166CC..EExtended strand (participates in β ladder)trans-127.6140-174.3-169.30000110.3C82 Y101 Y102 C103S80-C82 WeakPolarHBondContact CB-O 3.29Å; S80-C82 PolarHBondContact O-N 2.65Å; S80-C82 PolarHBondContact OG-O 2.83Å; S80-Y101 PolarHBondContact N-O 3.33Å; S80-Y102 WeakPolarHBondContact O-CA 3.39Å; S80-C103 PolarHBondContact O-N 2.81Å
81S98.7Very high98.3Very high5 Ų530.5 Ų30.54%0.03516%0.16CC..EExtended strand (participates in β ladder)trans-65.7-28.1176.566.90000111.8F28 G29 C103 L104F28-S81 WeakPolarHBondContact CA-OG 3.36Å; G29-S81 PolarHBondContact N-OG 3.31Å; G29-S81 PolarHBondContact O-N 2.94Å; G29-S81 PolarHBondContact O-OG 3.47Å; S81-C103 WeakPolarHBondContact O-CB 3.32Å; S81-L104 PolarHBondContact O-N 2.89Å
82C98.6Very high98.4Very high3 Ų326.3 Ų26.32%0.0215%0.146CC..EExtended strand (participates in β ladder)trans-132.2153.2176.7-169.60000110.9F28 S80 L104 D105F28-C82 HydrophobicContact CD1-CB 3.71Å; F28-C82 HydrophobicContact CE1-CB 3.88Å; S80-C82 WeakPolarHBondContact CB-O 3.29Å; S80-C82 PolarHBondContact O-N 2.65Å; S80-C82 PolarHBondContact OG-O 2.83Å; C82-L104 CarbonylContact C-O 3.25Å; C82-L104 WeakPolarHBondContact CA-O 3.44Å; C82-L104 HydrophobicContact CB-CB 4.21Å; C82-D105 PolarHBondContact SG-O 3.37Å
83K98.4Very high98.5Very high50 Ų5027 Ų2722%0.21715%0.151CC..PPolyproline II helixtrans-52.4131.4172.4177.9179.6161.2-163.90109C85 Y102 L104 D106K83-C85 PolarHBondContact O-N 2.88Å; K83-Y102 HydrophobicContact CB-CD1 4.45Å; K83-Y102 HydrophobicContact CB-CD2 3.73Å; K83-Y102 HydrophobicContact CB-CE2 3.9Å; K83-Y102 HydrophobicContact CB-CG 4.02Å; K83-Y102 HydrophobicContact CD-CE2 4.4Å; K83-Y102 HydrophobicContact CG-CE1 4.43Å; K83-Y102 HydrophobicContact CG-CE2 4.32Å; K83-L104 WeakPolarHBondContact CB-O 3.43Å; K83-L104 PolarHBondContact N-O 3.08Å; K83-D106 IonicContact NZ-OD1 2.7Å; K83-D106 PolarHBondContact NZ-OD1 2.96Å; K83-D106 IonicContact NZ-OD2 2.96Å
84P98.6Very high98.5Very high6 Ų634.2 Ų34.24%0.03918%0.179CC..PPolyproline II helixtrans-58.7130.8-177.9-26.134000112.9E57 C88 F89 T92 V100 Y120E57-P84 VanDerWaalsContact OE1-CA 3.26Å; E57-P84 WeakPolarHBondContact OE1-CA 3.15Å; P84-C88 HydrophobicContact CB-CB 3.64Å; P84-F89 HydrophobicContact CB-CB 4.27Å; P84-T92 HydrophobicContact CG-CG2 4.48Å; P84-V100 HydrophobicContact CG-CG1 3.95Å; P84-Y120 PolarHBondContact O-OH 3.27Å
85C98.4Very high98.5Very high3 Ų331.5 Ų31.52%0.0216%0.16CC..PPolyproline II helixtrans-61167.917088.10000110.6K83 M87 C88 F89 D116K83-C85 PolarHBondContact O-N 2.88Å; C85-M87 VanDerWaalsContact C-N 3.26Å; C85-M87 PolarHBondContact O-N 2.86Å; C85-M87 VanDerWaalsContact O-N 3.12Å; C85-C88 CarbonylContact O-C 3.49Å; C85-C88 PolarHBondContact O-N 3.05Å; C85-F89 WeakPolarHBondContact O-CB 3.3Å; C85-F89 PolarHBondContact O-N 2.96Å; C85-D116 HydrophobicContact CB-CB 4.34Å; C85-D116 WeakPolarHBondContact CB-OD2 3.48Å
86P97.9Very high98.5Very high19 Ų1934.2 Ų34.212%0.12317%0.165CC..Hα-helixtrans-58.3-32.5-176.1-28.336.9000115.7G90 F119 Y120 I123P86-G90 PolarHBondContact O-N 3.34Å; P86-F119 HydrophobicContact CG-CB 3.66Å; P86-Y120 HydrophobicContact CG-CD1 3.87Å; P86-Y120 HydrophobicContact CG-CD2 3.92Å; P86-Y120 HydrophobicContact CG-CE1 3.98Å; P86-Y120 HydrophobicContact CG-CE2 4.04Å; P86-Y120 HydrophobicContact CG-CG 3.83Å; P86-I123 HydrophobicContact CB-CD1 3.27Å; P86-I123 HydrophobicContact CG-CD1 3.91Å
87M98.5Very high98.5Very high72 Ų7235.2 Ų35.236%0.35517%0.17SC..Hα-helixtrans-64.1-52.3171.7174.1-177.867.100111T53 H55 V58 C85 F89 G90 A91T53-M87 HydrophobicContact CG2-SD 4.08Å; H55-M87 HydrophobicContact CB-CE 4.04Å; H55-M87 VanDerWaalsContact CD2-CE 3.45Å; H55-M87 WeakPolarHBondContact CD2-CE 3.31Å; H55-M87 VanDerWaalsContact CG-CE 3.44Å; V58-M87 HydrophobicContact CG2-CE 4.32Å; C85-M87 VanDerWaalsContact C-N 3.26Å; C85-M87 PolarHBondContact O-N 2.86Å; C85-M87 VanDerWaalsContact O-N 3.12Å; M87-F89 VanDerWaalsContact C-N 3.33Å; M87-F89 PolarHBondContact O-N 2.73Å; M87-G90 PolarHBondContact O-N 3.26Å; M87-A91 PolarHBondContact O-N 3.27Å
88C98.8Very high98.5Very high0 Ų040.6 Ų40.60%019%0.194CC..Hα-helixtrans-63.2-39.9-179.7-66.20000111.6H55 E57 P84 C85 G90 A91 T92H55-C88 WeakPolarHBondContact CB-SG 3.48Å; E57-C88 HydrophobicContact CB-CB 3.94Å; E57-C88 HydrophobicContact CG-CB 4.14Å; E57-C88 WeakPolarHBondContact OE1-CB 3.45Å; E57-C88 PolarHBondContact OE1-SG 3.01Å; E57-C88 PolarHBondContact OE2-SG 3.31Å; E57-C88 VanDerWaalsContact OE2-SG 3.37Å; P84-C88 HydrophobicContact CB-CB 3.64Å; C85-C88 CarbonylContact O-C 3.49Å; C85-C88 PolarHBondContact O-N 3.05Å; C88-G90 PolarHBondContact O-N 3.08Å; C88-A91 CarbonylContact O-C 3.49Å; C88-A91 WeakPolarHBondContact O-CA 3.42Å; C88-A91 WeakPolarHBondContact O-CB 3.26Å; C88-A91 PolarHBondContact O-N 3.44Å; C88-A91 VanDerWaalsContact O-N 3.08Å; C88-T92 VanDerWaalsContact O-CG2 3.24Å; C88-T92 WeakPolarHBondContact O-CG2 3.18Å; C88-T92 PolarHBondContact O-N 3.5Å
89F98.4Very high98.4Very high94 Ų9447.6 Ų47.641%0.41222%0.221SC..Hα-helixtrans-62-42.3174.3-175.8-119.7000111.7P84 C85 M87 A91 T92 L93P84-F89 HydrophobicContact CB-CB 4.27Å; C85-F89 WeakPolarHBondContact O-CB 3.3Å; C85-F89 PolarHBondContact O-N 2.96Å; M87-F89 VanDerWaalsContact C-N 3.33Å; M87-F89 PolarHBondContact O-N 2.73Å; F89-A91 VanDerWaalsContact C-N 3.31Å; F89-A91 PolarHBondContact O-N 3.41Å; F89-T92 PolarHBondContact O-N 3.39Å; F89-T92 PolarHBondContact O-OG1 3.36Å; F89-L93 HydrophobicContact CD1-CD1 4.14Å; F89-L93 HydrophobicContact CE1-CD1 3.76Å; F89-L93 HydrophobicContact CE2-CG 4.44Å; F89-L93 HydrophobicContact CZ-CD1 3.96Å; F89-L93 HydrophobicContact CZ-CD2 4.36Å; F89-L93 HydrophobicContact CZ-CG 4.31Å; F89-L93 WeakPolarHBondContact O-CG 3.48Å; F89-L93 PolarHBondContact O-N 2.89Å; F89-L93 VanDerWaalsContact O-N 3.12Å
90G98.4Very high98.4Very high22 Ų2248.8 Ų48.823%0.22723%0.23CC..Hα-helixtrans-56.8-45.2169.300000112P86 M87 C88 T92 L93 W94P86-G90 PolarHBondContact O-N 3.34Å; M87-G90 PolarHBondContact O-N 3.26Å; C88-G90 PolarHBondContact O-N 3.08Å; G90-T92 VanDerWaalsContact C-N 3.35Å; G90-T92 PolarHBondContact O-N 3.19Å; G90-L93 PolarHBondContact O-N 3.17Å; G90-W94 PolarHBondContact O-N 3.48Å
91A98.7Very high98.4Very high24 Ų2452 Ų5220%0.19824%0.242CC..Hα-helixtrans-62.9-36.7177.800000113V58 I61 M87 C88 F89 W94 S95V58-A91 HydrophobicContact CG2-CB 4.15Å; I61-A91 HydrophobicContact CD1-CB 4.13Å; M87-A91 PolarHBondContact O-N 3.27Å; C88-A91 CarbonylContact O-C 3.49Å; C88-A91 WeakPolarHBondContact O-CA 3.42Å; C88-A91 WeakPolarHBondContact O-CB 3.26Å; C88-A91 PolarHBondContact O-N 3.44Å; C88-A91 VanDerWaalsContact O-N 3.08Å; F89-A91 VanDerWaalsContact C-N 3.31Å; F89-A91 PolarHBondContact O-N 3.41Å; A91-W94 PolarHBondContact O-N 3.47Å; A91-S95 WeakPolarHBondContact O-CB 3.2Å; A91-S95 PolarHBondContact O-N 3.43Å; A91-S95 PolarHBondContact O-OG 3.49Å
92T98.6Very high98.4Very high8 Ų857.4 Ų57.45%0.04926%0.263CS..Hα-helixtrans-66.4-39.9175.772.10000111.9I61 L78 P84 C88 F89 G90 S95 R96 L97 V100I61-T92 HydrophobicContact CD1-CG2 4.18Å; L78-T92 HydrophobicContact CD2-CG2 3.62Å; P84-T92 HydrophobicContact CG-CG2 4.48Å; C88-T92 VanDerWaalsContact O-CG2 3.24Å; C88-T92 WeakPolarHBondContact O-CG2 3.18Å; C88-T92 PolarHBondContact O-N 3.5Å; F89-T92 PolarHBondContact O-N 3.39Å; F89-T92 PolarHBondContact O-OG1 3.36Å; G90-T92 VanDerWaalsContact C-N 3.35Å; G90-T92 PolarHBondContact O-N 3.19Å; T92-S95 WeakPolarHBondContact CA-OG 3.35Å; T92-S95 PolarHBondContact O-OG 2.81Å; T92-S95 VanDerWaalsContact O-OG 3.08Å; T92-R96 PolarHBondContact O-N 2.75Å; T92-R96 VanDerWaalsContact O-N 3.17Å; T92-L97 HydrophobicContact CG2-CD1 4.05Å; T92-L97 PolarHBondContact O-N 2.73Å; T92-V100 HydrophobicContact CG2-CG2 3.94Å
93L98.2Very high98.3Very high98 Ų9860.5 Ų60.551%0.51328%0.283SS..Hα-helixtrans-66.3-44.4175.9-65.9173.5000112.1F89 G90 S95 R96F89-L93 HydrophobicContact CD1-CD1 4.14Å; F89-L93 HydrophobicContact CE1-CD1 3.76Å; F89-L93 HydrophobicContact CE2-CG 4.44Å; F89-L93 HydrophobicContact CZ-CD1 3.96Å; F89-L93 HydrophobicContact CZ-CD2 4.36Å; F89-L93 HydrophobicContact CZ-CG 4.31Å; F89-L93 WeakPolarHBondContact O-CG 3.48Å; F89-L93 PolarHBondContact O-N 2.89Å; F89-L93 VanDerWaalsContact O-N 3.12Å; G90-L93 PolarHBondContact O-N 3.17Å; L93-S95 VanDerWaalsContact C-N 3.35Å; L93-R96 WeakPolarHBondContact O-CD 3.45Å; L93-R96 PolarHBondContact O-N 2.85Å
94W98.2Very high98.3Very high151 Ų15162.1 Ų62.157%0.57229%0.294SS*.Hα-helixtrans-67.7-33.3178.6-79.6116000113.1G90 A91 R96 Y157G90-W94 PolarHBondContact O-N 3.48Å; A91-W94 PolarHBondContact O-N 3.47Å; W94-R96 VanDerWaalsContact C-N 3.26Å; W94-R96 PolarHBondContact O-N 2.82Å; W94-Y157 HydrophobicContact CE3-CD2 4.12Å; W94-Y157 HydrophobicContact CE3-CE2 4.29Å; W94-Y157 HydrophobicContact CZ3-CD2 4.03Å; W94-Y157 HydrophobicContact CZ3-CE2 4.04Å
95S98.3Very high98.1Very high7 Ų764.7 Ų64.75%0.04931%0.307CS..THydrogen-bonded Turntrans-80.3-5.2174.6570000113.6L73 A91 T92 L93 L97L73-S95 PolarHBondContact N-O 3.43Å; A91-S95 WeakPolarHBondContact O-CB 3.2Å; A91-S95 PolarHBondContact O-N 3.43Å; A91-S95 PolarHBondContact O-OG 3.49Å; T92-S95 WeakPolarHBondContact CA-OG 3.35Å; T92-S95 PolarHBondContact O-OG 2.81Å; T92-S95 VanDerWaalsContact O-OG 3.08Å; L93-S95 VanDerWaalsContact C-N 3.35Å; S95-L97 PolarHBondContact O-N 2.76Å
96R98Very high97.8Very high121 Ų12165.6 Ų65.646%0.45731%0.312SS..THydrogen-bonded Turntrans61.525176.7-48.9-64.7179.2176.90.2114.2S74 T92 L93 W94 Q98 Y157S74-R96 WeakPolarHBondContact CA-O 3.37Å; T92-R96 PolarHBondContact O-N 2.75Å; T92-R96 VanDerWaalsContact O-N 3.17Å; L93-R96 WeakPolarHBondContact O-CD 3.45Å; L93-R96 PolarHBondContact O-N 2.85Å; W94-R96 VanDerWaalsContact C-N 3.26Å; W94-R96 PolarHBondContact O-N 2.82Å; R96-Q98 PolarHBondContact O-N 3Å; R96-Y157 PolarHBondContact NE-OXT 3.42Å; R96-Y157 PolarHBondContact NH2-OXT 3.33Å
97L98.5Very high97.6Very high21 Ų2168.1 Ų68.111%0.1133%0.329CS..  trans-48.8139.4179.7-78.5163.9000111.8I61 L73 C76 L78 T92 S95 R99I61-L97 HydrophobicContact CD1-CD1 3.93Å; I61-L97 HydrophobicContact CG1-CD1 4.08Å; L73-L97 HydrophobicContact CB-CD2 3.8Å; L73-L97 HydrophobicContact CB-CG 4.26Å; L73-L97 HydrophobicContact CD1-CD2 4.26Å; L73-L97 WeakPolarHBondContact O-CA 3.32Å; C76-L97 HydrophobicContact CB-CD2 3.81Å; C76-L97 WeakPolarHBondContact O-CD2 3.24Å; L78-L97 HydrophobicContact CB-CD1 3.65Å; L78-L97 HydrophobicContact CB-CD2 4.39Å; L78-L97 HydrophobicContact CD2-CD1 4.07Å; L78-L97 HydrophobicContact CG-CD1 4.35Å; T92-L97 HydrophobicContact CG2-CD1 4.05Å; T92-L97 PolarHBondContact O-N 2.73Å; S95-L97 PolarHBondContact O-N 2.76Å; L97-R99 VanDerWaalsContact C-N 3.31Å; L97-R99 PolarHBondContact O-N 3.12Å
98Q98Very high97.5Very high131 Ų13167.5 Ų67.561%0.61233%0.328SS*.SBendtrans-62.9-40.5-178.1-169.8-172.218.700111.7C76 V77 R96C76-Q98 VanDerWaalsContact O-CB 3.28Å; C76-Q98 WeakPolarHBondContact O-CB 3.38Å; C76-Q98 PolarHBondContact O-N 3.03Å; V77-Q98 HydrophobicContact CG2-CB 4.35Å; R96-Q98 PolarHBondContact O-N 3Å
99R98Very high97.4Very high147 Ų14767.7 Ų67.756%0.55533%0.329SS*.EExtended strand (participates in β ladder)trans-160.2156.4-178-173.6166.1-70.9170.3-1.3110.9V77 L78 L97 Y101V77-R99 HydrophobicContact CG1-CB 4.2Å; V77-R99 HydrophobicContact CG2-CB 4.42Å; L78-R99 PolarHBondContact N-O 3.33Å; L97-R99 VanDerWaalsContact C-N 3.31Å; L97-R99 PolarHBondContact O-N 3.12Å; R99-Y101 VanDerWaalsContact CD-CE2 3.47Å; R99-Y101 VanDerWaalsContact CD-OH 3.27Å; R99-Y101 WeakPolarHBondContact CD-OH 3.33Å; R99-Y101 HydrophobicContact CG-CD2 4.26Å; R99-Y101 HydrophobicContact CG-CE2 3.88Å; R99-Y101 PolarHBondContact NH1-OH 2.84Å
100V98.6Very high97.2Very high42 Ų4265 Ų6526%0.25532%0.324SS..EExtended strand (participates in β ladder)trans-121129.3168.1-174.50000109L78 P84 T92L78-V100 HydrophobicContact CB-CG1 4.42Å; L78-V100 HydrophobicContact CB-CG2 4.25Å; L78-V100 HydrophobicContact CD2-CG1 4.02Å; L78-V100 HydrophobicContact CD2-CG2 4.19Å; L78-V100 HydrophobicContact CG-CG1 4.39Å; L78-V100 CarbonylContact O-C 3.59Å; L78-V100 VanDerWaalsContact O-CA 3.3Å; L78-V100 WeakPolarHBondContact O-CA 3.3Å; P84-V100 HydrophobicContact CG-CG1 3.95Å; T92-V100 HydrophobicContact CG2-CG2 3.94Å
101Y98.5Very high97.1Very high67 Ų6771.1 Ų71.126%0.26335%0.347SS..EExtended strand (participates in β ladder)trans-107.7142.5165.7-68.6-82.1000109.2V5 V77 L78 Y79 S80 R99V5-Y101 HydrophobicContact CG1-CD1 3.74Å; V5-Y101 HydrophobicContact CG1-CD2 4.45Å; V5-Y101 HydrophobicContact CG1-CE1 4.03Å; V5-Y101 HydrophobicContact CG1-CG 3.96Å; V5-Y101 HydrophobicContact CG2-CE1 4.12Å; V5-Y101 HydrophobicContact CG2-CE2 4.09Å; V77-Y101 HydrophobicContact CG1-CD2 3.62Å; V77-Y101 HydrophobicContact CG1-CE2 3.78Å; L78-Y101 PolarHBondContact O-N 3.01Å; Y79-Y101 WeakPolarHBondContact CA-O 3.27Å; Y79-Y101 AromaticContact CD1-CD2 3.93Å; Y79-Y101 HydrophobicContact CD1-CD2 3.93Å; Y79-Y101 HydrophobicContact CD1-CG 4.15Å; Y79-Y101 AromaticContact CE1-CD2 3.4Å; Y79-Y101 HydrophobicContact CE1-CD2 3.4Å; Y79-Y101 VanDerWaalsContact CE1-CD2 3.4Å; Y79-Y101 HydrophobicContact CE1-CE2 4.11Å; Y79-Y101 AromaticContact CE1-CG 3.93Å; Y79-Y101 HydrophobicContact CE1-CG 3.93Å; Y79-Y101 AromaticContact CZ-CD2 3.9Å; S80-Y101 PolarHBondContact N-O 3.33Å; R99-Y101 VanDerWaalsContact CD-CE2 3.47Å; R99-Y101 VanDerWaalsContact CD-OH 3.27Å; R99-Y101 WeakPolarHBondContact CD-OH 3.33Å; R99-Y101 HydrophobicContact CG-CD2 4.26Å; R99-Y101 HydrophobicContact CG-CE2 3.88Å; R99-Y101 PolarHBondContact NH1-OH 2.84Å
102Y98.5Very high97Very high120 Ų12076.6 Ų76.647%0.47137%0.368SS..EExtended strand (participates in β ladder)trans-143.6156.5177.361.8-91.1000112.7S80 K83 L104S80-Y102 WeakPolarHBondContact O-CA 3.39Å; K83-Y102 HydrophobicContact CB-CD1 4.45Å; K83-Y102 HydrophobicContact CB-CD2 3.73Å; K83-Y102 HydrophobicContact CB-CE2 3.9Å; K83-Y102 HydrophobicContact CB-CG 4.02Å; K83-Y102 HydrophobicContact CD-CE2 4.4Å; K83-Y102 HydrophobicContact CG-CE1 4.43Å; K83-Y102 HydrophobicContact CG-CE2 4.32Å; Y102-L104 VanDerWaalsContact CD2-O 3.24Å; Y102-L104 WeakPolarHBondContact CD2-O 3.27Å
103C97.8Very high96.9Very high67 Ų6779.1 Ų79.145%0.45340%0.395SS..EExtended strand (participates in β ladder)trans-97.7-55.5179-70.70000113.2S80 S81S80-C103 PolarHBondContact O-N 2.81Å; S81-C103 WeakPolarHBondContact O-CB 3.32Å
104L98Very high96.8Very high85 Ų8577.6 Ų77.645%0.44539%0.385SS..EExtended strand (participates in β ladder)trans-98.5160.8-178.3-61.2175.2000111.6S81 C82 K83 Y102 D108S81-L104 PolarHBondContact O-N 2.89Å; C82-L104 CarbonylContact C-O 3.25Å; C82-L104 WeakPolarHBondContact CA-O 3.44Å; C82-L104 HydrophobicContact CB-CB 4.21Å; K83-L104 WeakPolarHBondContact CB-O 3.43Å; K83-L104 PolarHBondContact N-O 3.08Å; Y102-L104 VanDerWaalsContact CD2-O 3.24Å; Y102-L104 WeakPolarHBondContact CD2-O 3.27Å; L104-D108 VanDerWaalsContact CA-OD2 3.3Å; L104-D108 WeakPolarHBondContact CA-OD2 3.37Å; L104-D108 HydrophobicContact CB-CB 3.89Å; L104-D108 WeakPolarHBondContact CB-OD2 3.42Å; L104-D108 HydrophobicContact CD2-CB 4.19Å; L104-D108 WeakPolarHBondContact CD2-OD2 3.33Å; L104-D108 HydrophobicContact CG-CB 4.42Å
105D94.7Very high96.7Very high59 Ų5974.7 Ų74.732%0.31638%0.381SS..  trans-113.3-176.8178.576.220.7000114.1C82 C107 D108 A109C82-D105 PolarHBondContact SG-O 3.37Å; D105-C107 PolarHBondContact O-N 3.43Å; D105-C107 WeakPolarHBondContact OD1-CA 3.28Å; D105-C107 WeakPolarHBondContact OD1-CB 3.47Å; D105-C107 PolarHBondContact OD1-N 3.5Å; D105-D108 PolarHBondContact N-OD2 3.46Å; D105-D108 PolarHBondContact O-N 3.21Å; D105-D108 PolarHBondContact OD1-N 3.01Å; D105-D108 VanDerWaalsContact OD1-N 3.12Å; D105-A109 PolarHBondContact O-N 2.87Å
106D92Very high96.5Very high23 Ų2375 Ų7512%0.12338%0.382CS..Hα-helixtrans-69.5-16.9-179.450-57.2000113.8K83 A110 D116 Y120K83-D106 IonicContact NZ-OD1 2.7Å; K83-D106 PolarHBondContact NZ-OD1 2.96Å; K83-D106 IonicContact NZ-OD2 2.96Å; D106-A110 VanDerWaalsContact O-CB 3.26Å; D106-A110 WeakPolarHBondContact O-CB 3.47Å; D106-A110 PolarHBondContact O-N 2.93Å; D106-A110 VanDerWaalsContact O-N 3.16Å; D106-D116 HydrophobicContact CB-CB 4.24Å; D106-Y120 HydrophobicContact CB-CD2 4.43Å
107C92.6Very high96.3Very high72 Ų7270.9 Ų70.949%0.48637%0.371SS..Hα-helixtrans-74.9-46.3170.1-53.20000110.1D105 A109 A110 E111D105-C107 PolarHBondContact O-N 3.43Å; D105-C107 WeakPolarHBondContact OD1-CA 3.28Å; D105-C107 WeakPolarHBondContact OD1-CB 3.47Å; D105-C107 PolarHBondContact OD1-N 3.5Å; C107-A109 VanDerWaalsContact C-N 3.28Å; C107-A109 PolarHBondContact O-N 2.9Å; C107-A110 PolarHBondContact O-N 3.27Å; C107-A110 VanDerWaalsContact O-N 3.08Å; C107-E111 WeakPolarHBondContact O-CG 3.02Å; C107-E111 PolarHBondContact O-N 3.12Å
108D97.1Very high96.1Very high59 Ų5972.9 Ų72.932%0.31638%0.38SS..Hα-helixtrans-56.7-44177.1-63.9-55000111.2L104 D105L104-D108 VanDerWaalsContact CA-OD2 3.3Å; L104-D108 WeakPolarHBondContact CA-OD2 3.37Å; L104-D108 HydrophobicContact CB-CB 3.89Å; L104-D108 WeakPolarHBondContact CB-OD2 3.42Å; L104-D108 HydrophobicContact CD2-CB 4.19Å; L104-D108 WeakPolarHBondContact CD2-OD2 3.33Å; L104-D108 HydrophobicContact CG-CB 4.42Å; D105-D108 PolarHBondContact N-OD2 3.46Å; D105-D108 PolarHBondContact O-N 3.21Å; D105-D108 PolarHBondContact OD1-N 3.01Å; D105-D108 VanDerWaalsContact OD1-N 3.12Å
109A96.1Very high95.9Very high4 Ų470.3 Ų70.33%0.03337%0.367CS..Hα-helixtrans-64.9-42.2175.800000112.1F28 D105 C107 E111 Q112 G113 F114 D116F28-A109 HydrophobicContact CE1-CB 4.45Å; D105-A109 PolarHBondContact O-N 2.87Å; C107-A109 VanDerWaalsContact C-N 3.28Å; C107-A109 PolarHBondContact O-N 2.9Å; A109-E111 VanDerWaalsContact C-N 3.33Å; A109-E111 PolarHBondContact O-N 3.34Å; A109-Q112 PolarHBondContact O-N 3.11Å; A109-Q112 VanDerWaalsContact O-N 3.12Å; A109-G113 PolarHBondContact O-N 2.86Å; A109-F114 HydrophobicContact CB-CB 4.14Å; A109-F114 WeakPolarHBondContact O-CB 3.45Å; A109-F114 WeakPolarHBondContact O-CD2 3.49Å; A109-F114 PolarHBondContact O-N 2.92Å; A109-F114 VanDerWaalsContact O-N 3.12Å; A109-D116 HydrophobicContact CB-CB 4.46Å
110A95.1Very high95.8Very high36 Ų3665.4 Ų65.430%0.29835%0.349SS..Hα-helixtrans-64.8-34.4179.700000113D106 C107 Q112 G113 F114D106-A110 VanDerWaalsContact O-CB 3.26Å; D106-A110 WeakPolarHBondContact O-CB 3.47Å; D106-A110 PolarHBondContact O-N 2.93Å; D106-A110 VanDerWaalsContact O-N 3.16Å; C107-A110 PolarHBondContact O-N 3.27Å; C107-A110 VanDerWaalsContact O-N 3.08Å; A110-Q112 PolarHBondContact O-N 3.41Å; A110-G113 PolarHBondContact O-N 3.2Å; A110-F114 WeakPolarHBondContact CA-O 3.24Å
111E95.9Very high95.7Very high151 Ų15165 Ų6571%0.70635%0.345SS*.Hα-helixtrans-61.3-25.4174.4-72.6-178-177.800112.9C107 A109C107-E111 WeakPolarHBondContact O-CG 3.02Å; C107-E111 PolarHBondContact O-N 3.12Å; A109-E111 VanDerWaalsContact C-N 3.33Å; A109-E111 PolarHBondContact O-N 3.34Å
112Q96.1Very high95.5Very high140 Ų14064 Ų6465%0.65434%0.344SS*.THydrogen-bonded Turntrans-933.7175-52.4-51.8-52.900113.3A109 A110 F114A109-Q112 PolarHBondContact O-N 3.11Å; A109-Q112 VanDerWaalsContact O-N 3.12Å; A110-Q112 PolarHBondContact O-N 3.41Å; Q112-F114 HydrophobicContact CB-CD2 3.94Å; Q112-F114 HydrophobicContact CB-CE2 3.93Å
113G96Very high95.3Very high60 Ų6064.1 Ų64.162%0.61935%0.352SS*.THydrogen-bonded Turntrans8819.117800000115.3A109 A110A109-G113 PolarHBondContact O-N 2.86Å; A110-G113 PolarHBondContact O-N 3.2Å
114F96.7Very high95.1Very high67 Ų6764.4 Ų64.429%0.29435%0.354SS..  trans-88.1144.7172-63.3-79.3000112.2P27 F28 A109 A110 Q112 D116P27-F114 HydrophobicContact CG-CE2 3.77Å; P27-F114 HydrophobicContact CG-CZ 4.03Å; F28-F114 AromaticContact CE2-CD1 3.88Å; F28-F114 HydrophobicContact CE2-CD1 3.88Å; F28-F114 HydrophobicContact CE2-CD2 4.12Å; F28-F114 AromaticContact CE2-CE1 3.68Å; F28-F114 HydrophobicContact CE2-CE1 3.68Å; F28-F114 AromaticContact CE2-CE2 3.94Å; F28-F114 HydrophobicContact CE2-CE2 3.94Å; F28-F114 HydrophobicContact CE2-CG 4.12Å; F28-F114 AromaticContact CE2-CZ 3.73Å; F28-F114 HydrophobicContact CE2-CZ 3.73Å; F28-F114 HydrophobicContact CZ-CD1 4.06Å; F28-F114 AromaticContact CZ-CD2 3.64Å; F28-F114 HydrophobicContact CZ-CD2 3.64Å; F28-F114 HydrophobicContact CZ-CE1 4.19Å; F28-F114 AromaticContact CZ-CE2 3.79Å; F28-F114 HydrophobicContact CZ-CE2 3.79Å; F28-F114 AromaticContact CZ-CG 3.81Å; F28-F114 HydrophobicContact CZ-CG 3.81Å; F28-F114 HydrophobicContact CZ-CZ 4.08Å; A109-F114 HydrophobicContact CB-CB 4.14Å; A109-F114 WeakPolarHBondContact O-CB 3.45Å; A109-F114 WeakPolarHBondContact O-CD2 3.49Å; A109-F114 PolarHBondContact O-N 2.92Å; A109-F114 VanDerWaalsContact O-N 3.12Å; A110-F114 WeakPolarHBondContact CA-O 3.24Å; Q112-F114 HydrophobicContact CB-CD2 3.94Å; Q112-F114 HydrophobicContact CB-CE2 3.93Å; F114-D116 VanDerWaalsContact C-N 3.3Å; F114-D116 PolarHBondContact O-N 3.35Å
115D95.7Very high94.9Very high90 Ų9063 Ų6348%0.48136%0.36SS..  trans-85.58-170.4-67.9-40.6000114.6S117 E118 F119D115-S117 VanDerWaalsContact C-N 3.31Å; D115-S117 PolarHBondContact O-N 3.43Å; D115-E118 WeakPolarHBondContact O-CA 3.42Å; D115-E118 WeakPolarHBondContact O-CB 3.37Å; D115-E118 PolarHBondContact O-N 2.99Å; D115-F119 HydrophobicContact CB-CD1 4.14Å; D115-F119 HydrophobicContact CB-CD2 4.42Å; D115-F119 HydrophobicContact CB-CE1 3.56Å; D115-F119 HydrophobicContact CB-CE2 3.88Å; D115-F119 HydrophobicContact CB-CZ 3.41Å; D115-F119 VanDerWaalsContact CB-CZ 3.41Å; D115-F119 WeakPolarHBondContact O-CG 3.31Å; D115-F119 PolarHBondContact O-N 2.99Å
116D93.8Very high94.9Very high13 Ų1368.5 Ų68.57%0.0738%0.377CS..Hα-helixtrans-50.8-47.4-172.1-68.646000112.9C85 D106 A109 F114 F119 Y120C85-D116 HydrophobicContact CB-CB 4.34Å; C85-D116 WeakPolarHBondContact CB-OD2 3.48Å; D106-D116 HydrophobicContact CB-CB 4.24Å; A109-D116 HydrophobicContact CB-CB 4.46Å; F114-D116 VanDerWaalsContact C-N 3.3Å; F114-D116 PolarHBondContact O-N 3.35Å; D116-F119 PolarHBondContact O-N 3.05Å; D116-Y120 WeakPolarHBondContact O-CD2 3.44Å; D116-Y120 PolarHBondContact O-N 2.8Å
117S93.8Very high95Very high35 Ų3571.4 Ų71.425%0.24539%0.388CS..Hα-helixtrans-66.9-37.3178.261.60000112.5D115 Y120 D121D115-S117 VanDerWaalsContact C-N 3.31Å; D115-S117 PolarHBondContact O-N 3.43Å; S117-Y120 PolarHBondContact O-N 2.9Å; S117-D121 PolarHBondContact O-N 2.95Å
118E94.6Very high94.8Very high62 Ų6277 Ų7729%0.2940%0.399SS..Hα-helixtrans-64.8-40.8174.4169156.9151.800111.5D115 Y120 D121 I122 K127 K129D115-E118 WeakPolarHBondContact O-CA 3.42Å; D115-E118 WeakPolarHBondContact O-CB 3.37Å; D115-E118 PolarHBondContact O-N 2.99Å; E118-Y120 VanDerWaalsContact C-N 3.32Å; E118-Y120 PolarHBondContact O-N 3.12Å; E118-D121 WeakPolarHBondContact O-CB 3.2Å; E118-D121 PolarHBondContact O-N 3.34Å; E118-I122 HydrophobicContact CG-CD1 3.91Å; E118-I122 WeakPolarHBondContact O-CD1 3.48Å; E118-I122 WeakPolarHBondContact O-CG1 3.45Å; E118-I122 PolarHBondContact O-N 3.43Å; E118-K127 HydrophobicContact CG-CD 4.16Å; E118-K127 IonicContact OE2-NZ 2.75Å; E118-K127 PolarHBondContact OE2-NZ 3.23Å; E118-K129 IonicContact OE1-NZ 2.61Å
119F95.4Very high94.4Very high78 Ų7877.8 Ų77.834%0.34240%0.4SS..Hα-helixtrans-65.7-38.7177.4-60.9-16.4000111.4P86 D115 D116 I122 I123P86-F119 HydrophobicContact CG-CB 3.66Å; D115-F119 HydrophobicContact CB-CD1 4.14Å; D115-F119 HydrophobicContact CB-CD2 4.42Å; D115-F119 HydrophobicContact CB-CE1 3.56Å; D115-F119 HydrophobicContact CB-CE2 3.88Å; D115-F119 HydrophobicContact CB-CZ 3.41Å; D115-F119 VanDerWaalsContact CB-CZ 3.41Å; D115-F119 WeakPolarHBondContact O-CG 3.31Å; D115-F119 PolarHBondContact O-N 2.99Å; D116-F119 PolarHBondContact O-N 3.05Å; F119-I122 HydrophobicContact CD1-CD1 4.36Å; F119-I122 PolarHBondContact O-N 3.12Å; F119-I123 WeakPolarHBondContact O-CG1 3.34Å; F119-I123 PolarHBondContact O-N 3.33Å
120Y95.9Very high93.7Very high44 Ų4483.6 Ų83.617%0.17343%0.426CS..Hα-helixtrans-61.1-43.5171.2-88-61.8000112.1P84 P86 D106 D116 S117 E118 I122 I123 S124P84-Y120 PolarHBondContact O-OH 3.27Å; P86-Y120 HydrophobicContact CG-CD1 3.87Å; P86-Y120 HydrophobicContact CG-CD2 3.92Å; P86-Y120 HydrophobicContact CG-CE1 3.98Å; P86-Y120 HydrophobicContact CG-CE2 4.04Å; P86-Y120 HydrophobicContact CG-CG 3.83Å; D106-Y120 HydrophobicContact CB-CD2 4.43Å; D116-Y120 WeakPolarHBondContact O-CD2 3.44Å; D116-Y120 PolarHBondContact O-N 2.8Å; S117-Y120 PolarHBondContact O-N 2.9Å; E118-Y120 VanDerWaalsContact C-N 3.32Å; E118-Y120 PolarHBondContact O-N 3.12Å; Y120-I122 VanDerWaalsContact C-N 3.3Å; Y120-I122 PolarHBondContact O-N 3.42Å; Y120-I123 PolarHBondContact O-N 2.96Å; Y120-S124 VanDerWaalsContact O-CB 3.3Å; Y120-S124 WeakPolarHBondContact O-CB 3.49Å; Y120-S124 PolarHBondContact O-N 3.08Å; Y120-S124 PolarHBondContact O-OG 3.16Å
121D95.6Very high93.5Very high33 Ų3389.2 Ų89.218%0.17645%0.446CS..Hα-helixtrans-59.6-40.2176.2-76.6-16.7000112.9S117 E118 S124 G125 R126 K127S117-D121 PolarHBondContact O-N 2.95Å; E118-D121 WeakPolarHBondContact O-CB 3.2Å; E118-D121 PolarHBondContact O-N 3.34Å; D121-S124 PolarHBondContact O-OG 3.18Å; D121-G125 CarbonylContact O-C 3.53Å; D121-G125 PolarHBondContact O-N 2.81Å; D121-R126 HydrophobicContact CB-CB 4.1Å; D121-R126 WeakPolarHBondContact O-CA 3.41Å; D121-R126 PolarHBondContact O-N 2.97Å; D121-R126 IonicContact OD1-CZ 2.97Å; D121-R126 IonicContact OD1-NE 2.76Å; D121-R126 PolarHBondContact OD1-NE 2.94Å; D121-R126 IonicContact OD1-NH2 2.66Å; D121-R126 PolarHBondContact OD1-NH2 3.36Å; D121-K127 HydrophobicContact CB-CB 3.95Å; D121-K127 HydrophobicContact CB-CD 3.79Å; D121-K127 HydrophobicContact CB-CG 3.77Å; D121-K127 PolarHBondContact O-N 2.73Å; D121-K127 IonicContact OD2-NZ 3.8Å
122I94.8Very high93.2Very high45 Ų4590.2 Ų90.223%0.23145%0.445CS..Hα-helixtrans-64.3-48.5177.7-67.9158000110.2E118 F119 Y120 G125 K127 K129E118-I122 HydrophobicContact CG-CD1 3.91Å; E118-I122 WeakPolarHBondContact O-CD1 3.48Å; E118-I122 WeakPolarHBondContact O-CG1 3.45Å; E118-I122 PolarHBondContact O-N 3.43Å; F119-I122 HydrophobicContact CD1-CD1 4.36Å; F119-I122 PolarHBondContact O-N 3.12Å; Y120-I122 VanDerWaalsContact C-N 3.3Å; Y120-I122 PolarHBondContact O-N 3.42Å; I122-G125 PolarHBondContact O-N 3.12Å; I122-G125 VanDerWaalsContact O-N 3.16Å; I122-K127 WeakPolarHBondContact CA-O 3.3Å; I122-K127 HydrophobicContact CG1-CB 4.01Å; I122-K129 HydrophobicContact CD1-CD 3.84Å; I122-K129 HydrophobicContact CG2-CB 4.29Å
123I93.3Very high92.8Very high124 Ų12490.3 Ų90.364%0.63645%0.449SS*.Hα-helixtrans-71.7-32.6-175.8-69.8163.9000111.8P86 F119 Y120 G125P86-I123 HydrophobicContact CB-CD1 3.27Å; P86-I123 HydrophobicContact CG-CD1 3.91Å; F119-I123 WeakPolarHBondContact O-CG1 3.34Å; F119-I123 PolarHBondContact O-N 3.33Å; Y120-I123 PolarHBondContact O-N 2.96Å; I123-G125 PolarHBondContact O-N 3.29Å
124S94.5Very high92.6Very high72 Ų7292.4 Ų92.450%0.50345%0.453SS..THydrogen-bonded Turntrans-78.4-2.7174.477.10000113.2Y120 D121 R126Y120-S124 VanDerWaalsContact O-CB 3.3Å; Y120-S124 WeakPolarHBondContact O-CB 3.49Å; Y120-S124 PolarHBondContact O-N 3.08Å; Y120-S124 PolarHBondContact O-OG 3.16Å; D121-S124 PolarHBondContact O-OG 3.18Å; S124-R126 VanDerWaalsContact C-N 3.27Å; S124-R126 PolarHBondContact O-N 3.21Å; S124-R126 WeakPolarHBondContact OG-CG 3.43Å; S124-R126 PolarHBondContact OG-NE 2.78Å
125G93.6Very high92.4Very high56 Ų5694.9 Ų94.958%0.57748%0.477SS*.THydrogen-bonded Turntrans74.29.6-176.900000115D121 I122 I123D121-G125 CarbonylContact O-C 3.53Å; D121-G125 PolarHBondContact O-N 2.81Å; I122-G125 PolarHBondContact O-N 3.12Å; I122-G125 VanDerWaalsContact O-N 3.16Å; I123-G125 PolarHBondContact O-N 3.29Å
126R94.8Very high92.4Very high174 Ų17495.9 Ų95.966%0.65749%0.486SS*.SBendtrans-71.7-32.8174.1-72-172.6-60.2-154.14.4111.8D121 S124D121-R126 HydrophobicContact CB-CB 4.1Å; D121-R126 WeakPolarHBondContact O-CA 3.41Å; D121-R126 PolarHBondContact O-N 2.97Å; D121-R126 IonicContact OD1-CZ 2.97Å; D121-R126 IonicContact OD1-NE 2.76Å; D121-R126 PolarHBondContact OD1-NE 2.94Å; D121-R126 IonicContact OD1-NH2 2.66Å; D121-R126 PolarHBondContact OD1-NH2 3.36Å; S124-R126 VanDerWaalsContact C-N 3.27Å; S124-R126 PolarHBondContact O-N 3.21Å; S124-R126 WeakPolarHBondContact OG-CG 3.43Å; S124-R126 PolarHBondContact OG-NE 2.78Å
127K93Very high92.4Very high85 Ų85100.6 Ų100.637%0.3752%0.517SS..SBendtrans-116.7148.8168.8-76.3179.3-179.5176.60109.6E118 D121 I122E118-K127 HydrophobicContact CG-CD 4.16Å; E118-K127 IonicContact OE2-NZ 2.75Å; E118-K127 PolarHBondContact OE2-NZ 3.23Å; D121-K127 HydrophobicContact CB-CB 3.95Å; D121-K127 HydrophobicContact CB-CD 3.79Å; D121-K127 HydrophobicContact CB-CG 3.77Å; D121-K127 PolarHBondContact O-N 2.73Å; D121-K127 IonicContact OD2-NZ 3.8Å; I122-K127 WeakPolarHBondContact CA-O 3.3Å; I122-K127 HydrophobicContact CG1-CB 4.01Å
128R89.6Confident92.5Very high189 Ų189104.5 Ų104.571%0.71354%0.535SS*.  trans-111.2133177.1-58.2-152.5-55.5-89.4-1111.1E130R128-E130 HydrophobicContact CB-CG 4.34Å; R128-E130 VanDerWaalsContact CD-OE1 3.25Å; R128-E130 WeakPolarHBondContact CD-OE1 3.44Å; R128-E130 IonicContact CZ-OE2 2.73Å; R128-E130 IonicContact NE-OE1 3.98Å; R128-E130 PolarHBondContact NE-OE1 3.07Å; R128-E130 IonicContact NE-OE2 3.33Å; R128-E130 PolarHBondContact NE-OE2 3.34Å
129K88.5Confident92.6Very high76 Ų76108.1 Ų108.133%0.3355%0.552SS.*  trans-126.940.6172.2-127.9175.5-172.7162.40110.2E118 I122 H131 Y132E118-K129 IonicContact OE1-NZ 2.61Å; I122-K129 HydrophobicContact CD1-CD 3.84Å; I122-K129 HydrophobicContact CG2-CB 4.29Å; K129-H131 PolarHBondContact O-N 3.19Å; K129-Y132 WeakPolarHBondContact O-CA 3.47Å; K129-Y132 WeakPolarHBondContact O-CB 3.45Å; K129-Y132 PolarHBondContact O-N 3.13Å
130E82.1Confident92.7Very high126 Ų126115.1 Ų115.159%0.58958%0.576SS**G310 helixtrans-57.8-35.5-173.1-68.1160.2152.300112.8R128 Y132 L133R128-E130 HydrophobicContact CB-CG 4.34Å; R128-E130 VanDerWaalsContact CD-OE1 3.25Å; R128-E130 WeakPolarHBondContact CD-OE1 3.44Å; R128-E130 IonicContact CZ-OE2 2.73Å; R128-E130 IonicContact NE-OE1 3.98Å; R128-E130 PolarHBondContact NE-OE1 3.07Å; R128-E130 IonicContact NE-OE2 3.33Å; R128-E130 PolarHBondContact NE-OE2 3.34Å; E130-Y132 PolarHBondContact O-N 3.13Å; E130-L133 CarbonylContact O-C 3.51Å; E130-L133 PolarHBondContact O-N 2.9Å; E130-L133 VanDerWaalsContact O-N 3.15Å
131H89Confident92.7Very high153 Ų153116.4 Ų116.471%0.70860%0.596SS**G310 helixtrans-65.2-17.9175.469.7-89.6000113.6K129K129-H131 PolarHBondContact O-N 3.19Å
132Y89.7Confident92.7Very high173 Ų173120.4 Ų120.468%0.67861%0.611SS**G310 helixtrans-82.5-28.1176.6-169.8-94.6000111.9K129 E130K129-Y132 WeakPolarHBondContact O-CA 3.47Å; K129-Y132 WeakPolarHBondContact O-CB 3.45Å; K129-Y132 PolarHBondContact O-N 3.13Å; E130-Y132 PolarHBondContact O-N 3.13Å
133L88.3Confident92.9Very high142 Ų142120.2 Ų120.274%0.74362%0.617SS**SBendtrans-113.488.9-178.7-66.4178.7000111E130E130-L133 CarbonylContact O-C 3.51Å; E130-L133 PolarHBondContact O-N 2.9Å; E130-L133 VanDerWaalsContact O-N 3.15Å
134C92.7Very high93.1Very high104 Ų104117.6 Ų117.670%0.70361%0.614SS**  trans-91.3110.3179.7-62.60000111.5V136C134-V136 PolarHBondContact O-N 3.07Å
135C92Very high93.2Very high119 Ų119120.9 Ų120.980%0.80462%0.623SS**  trans-77.7120.5174.7-174.50000111.1
136V95.1Very high93.4Very high111 Ų111123.3 Ų123.367%0.67362%0.619SS**  trans-119.499171.9-176.30000108.3C134 L138C134-V136 PolarHBondContact O-N 3.07Å; V136-L138 PolarHBondContact O-N 3.18Å
137P93.7Very high93.5Very high111 Ų111121.4 Ų121.472%0.72162%0.619SS**  trans-73115.3-173.328.4-33.4000110.9
138L97.1Very high93.7Very high117 Ų117123 Ų12361%0.61362%0.623SS**  trans-116.2122.3172.3-64.6176.7000109.2V136 R140 A141V136-L138 PolarHBondContact O-N 3.18Å; L138-R140 PolarHBondContact O-N 2.88Å; L138-A141 HydrophobicContact CB-CB 4.46Å; L138-A141 WeakPolarHBondContact O-CB 3.16Å; L138-A141 PolarHBondContact O-N 3.34Å
139E95.7Very high94Very high138 Ų138123.4 Ų123.465%0.64563%0.625SS**G310 helixtrans-57.2-35.3178.4-76.8-57.9128.600112.3A141 K142E139-A141 PolarHBondContact O-N 3.2Å; E139-A141 VanDerWaalsContact O-N 3.13Å; E139-K142 VanDerWaalsContact CD-NZ 3.27Å; E139-K142 PolarHBondContact O-N 3.14Å; E139-K142 VanDerWaalsContact O-N 3.13Å; E139-K142 IonicContact OE1-NZ 3.02Å; E139-K142 PolarHBondContact OE1-NZ 3.39Å; E139-K142 IonicContact OE2-NZ 3.9Å; E139-K142 PolarHBondContact OE2-NZ 3.28Å
140R97Very high94.5Very high225 Ų225125.9 Ų125.985%0.84964%0.637SS**G310 helixtrans-58.3-25.4175-173173.7-179.9177.40.5113.3L138 K142 A143L138-R140 PolarHBondContact O-N 2.88Å; R140-K142 PolarHBondContact O-N 2.84Å; R140-A143 VanDerWaalsContact O-CB 3.24Å; R140-A143 WeakPolarHBondContact O-CB 3.33Å; R140-A143 PolarHBondContact O-N 2.93Å; R140-A143 VanDerWaalsContact O-N 3.07Å
141A96.5Very high95.2Very high71 Ų71123.9 Ų123.959%0.58763%0.627SS**G310 helixtrans-62.2-23.917900000112.8L138 E139 A143L138-A141 HydrophobicContact CB-CB 4.46Å; L138-A141 WeakPolarHBondContact O-CB 3.16Å; L138-A141 PolarHBondContact O-N 3.34Å; E139-A141 PolarHBondContact O-N 3.2Å; E139-A141 VanDerWaalsContact O-N 3.13Å; A141-A143 VanDerWaalsContact C-N 3.26Å; A141-A143 PolarHBondContact O-N 3.38Å
142K96.9Very high95.6Very high117 Ų117122.6 Ų122.651%0.50963%0.632SS.*Hα-helixtrans-72.3-16.8176.6-64.4174.4-173.4158.20113.3E139 R140 A144 M145 Q146E139-K142 VanDerWaalsContact CD-NZ 3.27Å; E139-K142 PolarHBondContact O-N 3.14Å; E139-K142 VanDerWaalsContact O-N 3.13Å; E139-K142 IonicContact OE1-NZ 3.02Å; E139-K142 PolarHBondContact OE1-NZ 3.39Å; E139-K142 IonicContact OE2-NZ 3.9Å; E139-K142 PolarHBondContact OE2-NZ 3.28Å; R140-K142 PolarHBondContact O-N 2.84Å; K142-A144 PolarHBondContact O-N 3.06Å; K142-M145 WeakPolarHBondContact O-CB 3.49Å; K142-M145 PolarHBondContact O-N 2.98Å; K142-M145 VanDerWaalsContact O-N 3.11Å; K142-Q146 PolarHBondContact O-N 3.22Å
143A97.8Very high95.9Very high42 Ų42119.3 Ų119.335%0.34763%0.626SS.*Hα-helixtrans-59.2-43.2-174.200000112.6R140 A141 M145 Q146 M147R140-A143 VanDerWaalsContact O-CB 3.24Å; R140-A143 WeakPolarHBondContact O-CB 3.33Å; R140-A143 PolarHBondContact O-N 2.93Å; R140-A143 VanDerWaalsContact O-N 3.07Å; A141-A143 VanDerWaalsContact C-N 3.26Å; A141-A143 PolarHBondContact O-N 3.38Å; A143-M145 VanDerWaalsContact C-N 3.32Å; A143-M145 PolarHBondContact O-N 3.15Å; A143-Q146 PolarHBondContact O-N 3.48Å; A143-M147 VanDerWaalsContact O-CG 3.31Å; A143-M147 WeakPolarHBondContact O-CG 3.13Å; A143-M147 PolarHBondContact O-N 3.33Å
144A97Very high96.3Very high69 Ų69115.9 Ų115.957%0.5761%0.605SS**Hα-helixtrans-63.6-38.1177.900000112.2K142 M147 W148K142-A144 PolarHBondContact O-N 3.06Å; A144-M147 PolarHBondContact O-N 2.75Å; A144-W148 WeakPolarHBondContact O-CB 3.24Å; A144-W148 PolarHBondContact O-N 2.91Å
145M96.4Very high96.4Very high141 Ų141115.2 Ų115.270%0.69560%0.598SS**Hα-helixtrans-67.1-37.2175.4-63.6-171.9177.300112K142 A143 R149K142-M145 WeakPolarHBondContact O-CB 3.49Å; K142-M145 PolarHBondContact O-N 2.98Å; K142-M145 VanDerWaalsContact O-N 3.11Å; A143-M145 VanDerWaalsContact C-N 3.32Å; A143-M145 PolarHBondContact O-N 3.15Å; M145-R149 WeakPolarHBondContact O-CB 3.47Å; M145-R149 PolarHBondContact O-N 3.48Å
146Q97.7Very high96.4Very high107 Ų107114.3 Ų114.350%0.559%0.591SS.*Hα-helixtrans-65.8-47.6174-178.2176.2-0.100111.1K142 A143 W148 R149 E150K142-Q146 PolarHBondContact O-N 3.22Å; A143-Q146 PolarHBondContact O-N 3.48Å; Q146-W148 VanDerWaalsContact C-N 3.3Å; Q146-W148 PolarHBondContact O-N 2.79Å; Q146-R149 WeakPolarHBondContact O-CA 3.26Å; Q146-R149 WeakPolarHBondContact O-CB 3.16Å; Q146-R149 PolarHBondContact O-N 2.7Å; Q146-E150 HydrophobicContact CG-CG 4.41Å; Q146-E150 WeakPolarHBondContact CG-OE1 3.47Å; Q146-E150 PolarHBondContact NE2-OE1 3.32Å; Q146-E150 WeakPolarHBondContact O-CG 3.3Å; Q146-E150 PolarHBondContact O-N 2.75Å
147M97.4Very high96.2Very high134 Ų134116.2 Ų116.266%0.6659%0.587SS**Hα-helixtrans-56.8-44.3175.3-70.1173.669.700111.6A143 A144 R149 E150 K151A143-M147 VanDerWaalsContact O-CG 3.31Å; A143-M147 WeakPolarHBondContact O-CG 3.13Å; A143-M147 PolarHBondContact O-N 3.33Å; A144-M147 PolarHBondContact O-N 2.75Å; M147-R149 PolarHBondContact O-N 3.2Å; M147-E150 PolarHBondContact O-N 2.88Å; M147-K151 WeakPolarHBondContact O-CB 3.33Å; M147-K151 PolarHBondContact O-N 3.21Å
148W97.6Very high96.3Very high117 Ų117116.5 Ų116.544%0.44358%0.58SS.*Hα-helixtrans-60.7-44.2174.7-176-105.8000111.8A144 Q146 E150 K151 K154 T155 Y157A144-W148 WeakPolarHBondContact O-CB 3.24Å; A144-W148 PolarHBondContact O-N 2.91Å; Q146-W148 VanDerWaalsContact C-N 3.3Å; Q146-W148 PolarHBondContact O-N 2.79Å; W148-E150 VanDerWaalsContact C-N 3.33Å; W148-E150 PolarHBondContact O-N 3.39Å; W148-K151 PolarHBondContact O-N 3.24Å; W148-K154 HydrophobicContact CD2-CB 4.37Å; W148-K154 HydrophobicContact CD2-CD 4.02Å; W148-K154 HydrophobicContact CE3-CB 4.22Å; W148-K154 HydrophobicContact CG-CD 4.32Å; W148-K154 HydrophobicContact CH2-CB 3.87Å; W148-K154 HydrophobicContact CZ2-CB 3.99Å; W148-K154 HydrophobicContact CZ2-CD 3.99Å; W148-K154 HydrophobicContact CZ2-CG 4.47Å; W148-K154 HydrophobicContact CZ3-CB 3.98Å; W148-K154 VanDerWaalsContact O-CD 3.28Å; W148-K154 WeakPolarHBondContact O-CD 3.25Å; W148-K154 WeakPolarHBondContact O-CE 3.46Å; W148-K154 PolarHBondContact O-NZ 3.32Å; W148-T155 VanDerWaalsContact CH2-O 3.27Å; W148-T155 WeakPolarHBondContact CH2-O 3.5Å; W148-Y157 HydrophobicContact CH2-CD1 4.39Å; W148-Y157 HydrophobicContact CH2-CE1 4.19Å; W148-Y157 HydrophobicContact CZ2-CE1 4.45Å
149R96.8Very high96.3Very high199 Ų199116.5 Ų116.575%0.75158%0.578SS**Hα-helixtrans-59.3-44.6177.6-172.4-175.2-58.3-155.7-0.2111.8M145 Q146 M147 K154M145-R149 WeakPolarHBondContact O-CB 3.47Å; M145-R149 PolarHBondContact O-N 3.48Å; Q146-R149 WeakPolarHBondContact O-CA 3.26Å; Q146-R149 WeakPolarHBondContact O-CB 3.16Å; Q146-R149 PolarHBondContact O-N 2.7Å; M147-R149 PolarHBondContact O-N 3.2Å; R149-K154 PolarHBondContact O-NZ 2.96Å
150E97.4Very high96.3Very high127 Ų127115.3 Ų115.359%0.59358%0.575SS**Hα-helixtrans-81-20.2-175.8-68.7169.5-177.200113.4Q146 M147 W148 P152Q146-E150 HydrophobicContact CG-CG 4.41Å; Q146-E150 WeakPolarHBondContact CG-OE1 3.47Å; Q146-E150 PolarHBondContact NE2-OE1 3.32Å; Q146-E150 WeakPolarHBondContact O-CG 3.3Å; Q146-E150 PolarHBondContact O-N 2.75Å; M147-E150 PolarHBondContact O-N 2.88Å; W148-E150 VanDerWaalsContact C-N 3.33Å; W148-E150 PolarHBondContact O-N 3.39Å; E150-P152 VanDerWaalsContact O-CD 3.28Å; E150-P152 WeakPolarHBondContact O-CD 3.46Å
151K97.5Very high96.3Very high84 Ų84108.8 Ų108.837%0.36556%0.559SS.*  trans-62.8116.2178.2-174.4169.7173.6570110.7M147 W148 D153 K154M147-K151 WeakPolarHBondContact O-CB 3.33Å; M147-K151 PolarHBondContact O-N 3.21Å; W148-K151 PolarHBondContact O-N 3.24Å; K151-D153 WeakPolarHBondContact CE-OD1 3.34Å; K151-D153 WeakPolarHBondContact CG-OD1 3.41Å; K151-D153 IonicContact NZ-OD1 3.67Å; K151-D153 PolarHBondContact NZ-OD1 3.16Å; K151-D153 IonicContact NZ-OD2 3.82Å; K151-D153 PolarHBondContact NZ-OD2 3.38Å; K151-K154 HydrophobicContact CB-CB 4.29Å; K151-K154 HydrophobicContact CD-CB 4.26Å; K151-K154 HydrophobicContact CG-CB 4.16Å; K151-K154 WeakPolarHBondContact O-CG 3.36Å; K151-K154 PolarHBondContact O-NZ 3.02Å
152P97Very high96.2Very high126 Ų126111.2 Ų111.282%0.81856%0.557SS**THydrogen-bonded Turntrans-76-30.5-175.229.1-33.9000112.9E150E150-P152 VanDerWaalsContact O-CD 3.28Å; E150-P152 WeakPolarHBondContact O-CD 3.46Å
153D97.1Very high96.2Very high104 Ų104110.8 Ų110.856%0.55656%0.56SS**THydrogen-bonded Turntrans-103.227.1-17664.1-41.2000112.4K151K151-D153 WeakPolarHBondContact CE-OD1 3.34Å; K151-D153 WeakPolarHBondContact CG-OD1 3.41Å; K151-D153 IonicContact NZ-OD1 3.67Å; K151-D153 PolarHBondContact NZ-OD1 3.16Å; K151-D153 IonicContact NZ-OD2 3.82Å; K151-D153 PolarHBondContact NZ-OD2 3.38Å
154K96.9Very high96.1Very high71 Ų71115.7 Ų115.731%0.30958%0.575SS.*  trans-69.1141.9175.559.5172156.9-74.60110.9W148 R149 K151 P156W148-K154 HydrophobicContact CD2-CB 4.37Å; W148-K154 HydrophobicContact CD2-CD 4.02Å; W148-K154 HydrophobicContact CE3-CB 4.22Å; W148-K154 HydrophobicContact CG-CD 4.32Å; W148-K154 HydrophobicContact CH2-CB 3.87Å; W148-K154 HydrophobicContact CZ2-CB 3.99Å; W148-K154 HydrophobicContact CZ2-CD 3.99Å; W148-K154 HydrophobicContact CZ2-CG 4.47Å; W148-K154 HydrophobicContact CZ3-CB 3.98Å; W148-K154 VanDerWaalsContact O-CD 3.28Å; W148-K154 WeakPolarHBondContact O-CD 3.25Å; W148-K154 WeakPolarHBondContact O-CE 3.46Å; W148-K154 PolarHBondContact O-NZ 3.32Å; R149-K154 PolarHBondContact O-NZ 2.96Å; K151-K154 HydrophobicContact CB-CB 4.29Å; K151-K154 HydrophobicContact CD-CB 4.26Å; K151-K154 HydrophobicContact CG-CB 4.16Å; K151-K154 WeakPolarHBondContact O-CG 3.36Å; K151-K154 PolarHBondContact O-NZ 3.02Å; K154-P156 WeakPolarHBondContact O-CD 3.45Å
155T94.2Very high96Very high90 Ų90119.3 Ų119.355%0.55258%0.576SS**  trans-95.2109.9167.6-53.10000108.5W71 W148W71-T155 HydrophobicContact CZ2-CG2 4.32Å; W148-T155 VanDerWaalsContact CH2-O 3.27Å; W148-T155 WeakPolarHBondContact CH2-O 3.5Å
156P91.6Very high96Very high100 Ų100117.5 Ų117.565%0.64957%0.566SS**  trans-65.5141.6172.228.7-32.8000109.7W71 K154W71-P156 WeakPolarHBondContact CH2-O 3.18Å; W71-P156 WeakPolarHBondContact CZ2-O 3.44Å; K154-P156 WeakPolarHBondContact O-CD 3.45Å
157Y90.6Very high95.8Very high151 Ų151118.5 Ų118.559%0.59257%0.572SS**  trans-137.70177.467.6-83.5000112.7W71 W94 R96 W148W71-Y157 VanDerWaalsContact CH2-CB 3.45Å; W71-Y157 VanDerWaalsContact CZ3-CB 3.46Å; W71-Y157 WeakPolarHBondContact CZ3-OXT 3.28Å; W94-Y157 HydrophobicContact CE3-CD2 4.12Å; W94-Y157 HydrophobicContact CE3-CE2 4.29Å; W94-Y157 HydrophobicContact CZ3-CD2 4.03Å; W94-Y157 HydrophobicContact CZ3-CE2 4.04Å; R96-Y157 PolarHBondContact NE-OXT 3.42Å; R96-Y157 PolarHBondContact NH2-OXT 3.33Å; W148-Y157 HydrophobicContact CH2-CD1 4.39Å; W148-Y157 HydrophobicContact CH2-CE1 4.19Å; W148-Y157 HydrophobicContact CZ2-CE1 4.45Å

Retrieved 157 of 157 residues in 47.8 ms (Link to these results)

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