PA1B3_HUMAN Loading...

Platelet-activating factor acetylhydrolase IB subunit alpha1

Alpha1 catalytic subunit of the cytosolic type I platelet-activating factor (PAF) acetylhydrolase (PAF-AH (I)) heterotetrameric enzyme that catalyzes the hydrolyze of the acetyl group at the sn-2 position of PAF and its analogs and modulates the action of PAF. The activity and substrate specificity of PAF-AH (I) are affected by its subunit composition. Both alpha1/alpha1 homodimer (PAFAH1B3/PAFAH1B3 homodimer) and alpha1/alpha2 heterodimer(PAFAH1B3/PAFAH1B2 heterodimer) hydrolyze 1-O-alkyl-2-acetyl-sn-glycero-3-phosphoric acid (AAGPA) more efficiently than PAF, but they have little hydrolytic activity towards 1-O-alkyl-2-acetyl-sn-glycero-3-phosphorylethanolamine (AAGPE). Plays an important role during the development of brain.

AlphaFold DB , UniProt , Accession Q15102, Species HUMAN (Homo sapiens, Human), Gene PAFAH1B3, Length 231 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
1M39.3Very low81.3Confident239 Ų23996.8 Ų96.8100%1.17754%0.541SS*.  01190-64.3-149.9-101.100106.4G3M1-G3 VanDerWaalsContact C-N 3.27Å; M1-G3 PolarHBondContact O-N 3.22Å
2S44.5Very low82.8Confident125 Ų12594 Ų9487%0.87453%0.528SS*.  trans-58.897.9167.846.70000106.4E4S2-E4 PolarHBondContact O-N 3.01Å
3G58.1Low84Confident66 Ų6690.2 Ų90.268%0.6851%0.51SS*.  trans-65.7110.2-175.800000107.8M1 E5M1-G3 VanDerWaalsContact C-N 3.27Å; M1-G3 PolarHBondContact O-N 3.22Å; G3-E5 PolarHBondContact O-N 2.95Å; G3-E5 VanDerWaalsContact O-N 3.17Å
4E73.3Confident85Confident195 Ų19587.3 Ų87.391%0.91150%0.495SS*.  trans-51.3124.7169.4-79-178.7161.200108.2S2 N6S2-E4 PolarHBondContact O-N 3.01Å; E4-N6 PolarHBondContact O-N 2.97Å
5E89.7Confident85.9Confident145 Ų14592 Ų9268%0.67851%0.511SS*.  trans-57.6132.6177.4-69.6175.9171.200109.1G3 P7 K10G3-E5 PolarHBondContact O-N 2.95Å; G3-E5 VanDerWaalsContact O-N 3.17Å; E5-P7 VanDerWaalsContact O-CD 3.29Å; E5-P7 WeakPolarHBondContact O-CD 3.38Å; E5-P7 VanDerWaalsContact O-N 3.14Å; E5-K10 IonicContact OE2-NZ 2.75Å
6N97.5Very high86.7Confident36 Ų3690.7 Ų90.719%0.19350%0.503CS..  trans-62.7115.6177.1169.620000109.8E4 A8 S9 K10 Q112E4-N6 PolarHBondContact O-N 2.97Å; N6-A8 PolarHBondContact O-N 3.31Å; N6-A8 VanDerWaalsContact O-N 3.17Å; N6-A8 WeakPolarHBondContact OD1-CB 3.31Å; N6-A8 PolarHBondContact OD1-N 2.99Å; N6-A8 VanDerWaalsContact OD1-N 3.12Å; N6-S9 WeakPolarHBondContact CB-OG 3.42Å; N6-S9 PolarHBondContact ND2-OG 3.37Å; N6-S9 PolarHBondContact O-N 3.31Å; N6-S9 PolarHBondContact O-OG 3.2Å; N6-K10 PolarHBondContact O-N 3.43Å; N6-Q112 PolarHBondContact ND2-O 3.43Å; N6-Q112 WeakPolarHBondContact OD1-CA 3.35Å; N6-Q112 WeakPolarHBondContact OD1-CB 3.47Å; N6-Q112 WeakPolarHBondContact OD1-CG 3.28Å
7P98.2Very high87.3Confident55 Ų5592.4 Ų92.436%0.35752%0.516SS..G310 helixtrans-63.3-26.8-175.625.6-35.2000112.7E5 S9 K10E5-P7 VanDerWaalsContact O-CD 3.29Å; E5-P7 WeakPolarHBondContact O-CD 3.38Å; E5-P7 VanDerWaalsContact O-N 3.14Å; P7-S9 PolarHBondContact O-N 3.18Å; P7-K10 PolarHBondContact O-N 3.35Å
8A98.6Very high87.9Confident0 Ų094.6 Ų94.60%052%0.522CS..G310 helixtrans-70.9-14.9176.600000113.5N6 T77 Q78 H108 Q112 G116N6-A8 PolarHBondContact O-N 3.31Å; N6-A8 VanDerWaalsContact O-N 3.17Å; N6-A8 WeakPolarHBondContact OD1-CB 3.31Å; N6-A8 PolarHBondContact OD1-N 2.99Å; N6-A8 VanDerWaalsContact OD1-N 3.12Å; A8-T77 WeakPolarHBondContact O-CB 3.44Å; A8-T77 PolarHBondContact O-OG1 3.35Å; A8-Q78 PolarHBondContact O-N 3.22Å; A8-H108 WeakPolarHBondContact CB-ND1 3.5Å; A8-Q112 HydrophobicContact CB-CB 4.23Å; A8-Q112 VanDerWaalsContact CB-O 3.24Å; A8-Q112 WeakPolarHBondContact CB-O 3.41Å; A8-G116 VanDerWaalsContact O-CA 3.29Å; A8-G116 WeakPolarHBondContact O-CA 3.37Å
9S98.5Very high88.5Confident38 Ų3893.2 Ų93.227%0.26653%0.531SS..G310 helixtrans-113.512.3177.3610000113.3N6 P7 P11 L81N6-S9 WeakPolarHBondContact CB-OG 3.42Å; N6-S9 PolarHBondContact ND2-OG 3.37Å; N6-S9 PolarHBondContact O-N 3.31Å; N6-S9 PolarHBondContact O-OG 3.2Å; P7-S9 PolarHBondContact O-N 3.18Å; S9-P11 WeakPolarHBondContact O-CD 3.48Å; S9-L81 VanDerWaalsContact O-CD2 3.31Å; S9-L81 WeakPolarHBondContact O-CD2 3.15Å
10K98.3Very high89Confident121 Ų12192.8 Ų92.853%0.52653%0.527SS..SBendtrans-97.2105.6176.3-176.9172.2-175.7162.10109.8E5 N6 P7 T12 Q78E5-K10 IonicContact OE2-NZ 2.75Å; N6-K10 PolarHBondContact O-N 3.43Å; P7-K10 PolarHBondContact O-N 3.35Å; K10-T12 PolarHBondContact O-N 2.88Å; K10-Q78 VanDerWaalsContact O-CB 3.32Å; K10-Q78 WeakPolarHBondContact O-CB 3.35Å
11P98.6Very high89.4Confident45 Ų4589.5 Ų89.529%0.29251%0.513SS..  trans-55.2125.4-174.9-13.921000111.5S9 L81 W82 E85S9-P11 WeakPolarHBondContact O-CD 3.48Å; P11-L81 HydrophobicContact CB-CD2 4.29Å; P11-L81 HydrophobicContact CB-CG 4.26Å; P11-L81 HydrophobicContact CG-CD2 3.62Å; P11-L81 HydrophobicContact CG-CG 3.91Å; P11-W82 HydrophobicContact CB-CB 4.07Å; P11-E85 WeakPolarHBondContact CB-OE2 3.44Å; P11-E85 VanDerWaalsContact CG-OE1 3.32Å; P11-E85 WeakPolarHBondContact CG-OE1 3.48Å; P11-E85 WeakPolarHBondContact CG-OE2 3.24Å
12T98.6Very high92.2Very high63 Ų6384.1 Ų84.139%0.38748%0.48SS..  trans-148.6141.9174-176.70000110.3K10 Q78 H79 W82K10-T12 PolarHBondContact O-N 2.88Å; T12-Q78 HydrophobicContact CG2-CB 4.18Å; T12-Q78 HydrophobicContact CG2-CG 3.58Å; T12-Q78 PolarHBondContact N-O 2.93Å; T12-H79 WeakPolarHBondContact O-CA 3.37Å; T12-H79 PolarHBondContact O-CD2 3.4Å; T12-W82 WeakPolarHBondContact O-CB 3.36Å
13P98.6Very high94.8Very high45 Ų4579.3 Ų79.329%0.29244%0.443SS..PPolyproline II helixtrans-72.7160.1171.131.6-31.9000110.2Q15 W23 M24 W82P13-Q15 PolarHBondContact O-N 3.48Å; P13-W23 HydrophobicContact CB-CE3 4.42Å; P13-W23 HydrophobicContact CB-CH2 3.74Å; P13-W23 HydrophobicContact CB-CZ3 3.53Å; P13-M24 HydrophobicContact CB-CE 4.46Å; P13-W82 HydrophobicContact CB-CD2 3.87Å; P13-W82 HydrophobicContact CB-CE3 4.16Å; P13-W82 HydrophobicContact CB-CG 4.37Å; P13-W82 HydrophobicContact CB-CH2 4.32Å; P13-W82 HydrophobicContact CB-CZ2 4.05Å; P13-W82 HydrophobicContact CB-CZ3 4.37Å; P13-W82 HydrophobicContact CG-CD2 4.44Å; P13-W82 HydrophobicContact CG-CZ2 4.27Å
14V98.5Very high96.7Very high49 Ų4979.2 Ų79.230%0.29743%0.425SS..PPolyproline II helixtrans-72.8120.4168.5178.60000108.5D16 W23 H79V14-D16 PolarHBondContact O-N 3.19Å; V14-W23 HydrophobicContact CB-CB 4.49Å; V14-W23 HydrophobicContact CB-CD2 3.78Å; V14-W23 HydrophobicContact CB-CE3 4.45Å; V14-W23 HydrophobicContact CB-CG 3.76Å; V14-W23 HydrophobicContact CB-CZ2 4.43Å; V14-W23 HydrophobicContact CG1-CG 4.46Å; V14-W23 HydrophobicContact CG2-CD2 4.11Å; V14-W23 HydrophobicContact CG2-CG 4.15Å; V14-W23 HydrophobicContact CG2-CZ2 4.07Å; V14-W23 VanDerWaalsContact CG2-NE1 3.25Å; V14-H79 HydrophobicContact CG2-CB 4.01Å; V14-H79 VanDerWaalsContact CG2-CG 3.43Å; V14-H79 WeakPolarHBondContact CG2-ND1 3.42Å
15Q98.2Very high98Very high158 Ų15873.3 Ų73.374%0.73841%0.406SS*.PPolyproline II helixtrans-66126.8174.1-174.4178.617.500110P13 V17P13-Q15 PolarHBondContact O-N 3.48Å; Q15-V17 HydrophobicContact CG-CG1 4.1Å; Q15-V17 PolarHBondContact O-N 3.02Å
16D98.4Very high98.4Very high71 Ų7168.1 Ų68.138%0.3838%0.382SS..  trans-75.9105172.3-177.414.9000110.4V14 Q18 G19 D20 G21V14-D16 PolarHBondContact O-N 3.19Å; D16-Q18 PolarHBondContact OD1-N 3.19Å; D16-G19 VanDerWaalsContact CG-N 3.33Å; D16-G19 PolarHBondContact OD1-N 3.48Å; D16-G19 VanDerWaalsContact OD2-C 3.28Å; D16-G19 VanDerWaalsContact OD2-CA 3.25Å; D16-G19 WeakPolarHBondContact OD2-CA 3.17Å; D16-G19 PolarHBondContact OD2-N 3.19Å; D16-D20 PolarHBondContact OD2-N 2.67Å; D16-D20 VanDerWaalsContact OD2-N 3.17Å; D16-G21 WeakPolarHBondContact OD2-CA 3.38Å; D16-G21 PolarHBondContact OD2-N 3Å
17V98.1Very high98.4Very high119 Ų11966.7 Ų66.772%0.72138%0.375SS*.SBendtrans-103.94.9174.7-59.50000112.4Q15Q15-V17 HydrophobicContact CG-CG1 4.1Å; Q15-V17 PolarHBondContact O-N 3.02Å
18Q98Very high98.5Very high133 Ų13369.6 Ų69.662%0.62138%0.383SS*.SBendtrans-108.2-26.9179.9-59.8-171.21300112.2D16 R22D16-Q18 PolarHBondContact OD1-N 3.19Å; Q18-R22 VanDerWaalsContact CD-NH2 3.34Å; Q18-R22 VanDerWaalsContact OE1-CZ 3.22Å
19G98Very high98.5Very high67 Ų6775.5 Ų75.569%0.69141%0.405SS*.SBendtrans94.38.9170.500000115.5D16D16-G19 VanDerWaalsContact CG-N 3.33Å; D16-G19 PolarHBondContact OD1-N 3.48Å; D16-G19 VanDerWaalsContact OD2-C 3.28Å; D16-G19 VanDerWaalsContact OD2-CA 3.25Å; D16-G19 WeakPolarHBondContact OD2-CA 3.17Å; D16-G19 PolarHBondContact OD2-N 3.19Å
20D98.4Very high98.5Very high85 Ų8573.8 Ų73.846%0.45539%0.393SS..SBendtrans-98.7-6.6-179.269.810.3000114D16 R22D16-D20 PolarHBondContact OD2-N 2.67Å; D16-D20 VanDerWaalsContact OD2-N 3.17Å; D20-R22 PolarHBondContact O-N 3.4Å; D20-R22 VanDerWaalsContact O-N 3.1Å; D20-R22 WeakPolarHBondContact OD1-CB 3.45Å; D20-R22 VanDerWaalsContact OD1-CG 3.24Å; D20-R22 WeakPolarHBondContact OD1-CG 3.44Å; D20-R22 PolarHBondContact OD1-N 3.32Å; D20-R22 IonicContact OD1-NH1 3.37Å; D20-R22 WeakPolarHBondContact OD2-CD 3.3Å; D20-R22 IonicContact OD2-CZ 2.8Å; D20-R22 IonicContact OD2-NE 2.81Å; D20-R22 IonicContact OD2-NH1 2.79Å; D20-R22 PolarHBondContact OD2-NH1 3.2Å
21G98.2Very high98.5Very high24 Ų2470.1 Ų70.125%0.24738%0.381CS..  trans6018179.600000114.7D16 W23 M24 S25D16-G21 WeakPolarHBondContact OD2-CA 3.38Å; D16-G21 PolarHBondContact OD2-N 3Å; G21-W23 VanDerWaalsContact C-N 3.32Å; G21-W23 PolarHBondContact O-N 3.06Å; G21-M24 PolarHBondContact O-N 2.86Å; G21-S25 WeakPolarHBondContact O-CB 3.48Å; G21-S25 PolarHBondContact O-N 2.86Å; G21-S25 PolarHBondContact O-OG 3.18Å
22R98.6Very high98.5Very high127 Ų12770 Ų7048%0.47938%0.384SS..Hα-helixtrans-65.1-33.9-169.472.2-179.4174.2-112.2-2113.6Q18 D20 S25 L26Q18-R22 VanDerWaalsContact CD-NH2 3.34Å; Q18-R22 VanDerWaalsContact OE1-CZ 3.22Å; D20-R22 PolarHBondContact O-N 3.4Å; D20-R22 VanDerWaalsContact O-N 3.1Å; D20-R22 WeakPolarHBondContact OD1-CB 3.45Å; D20-R22 VanDerWaalsContact OD1-CG 3.24Å; D20-R22 WeakPolarHBondContact OD1-CG 3.44Å; D20-R22 PolarHBondContact OD1-N 3.32Å; D20-R22 IonicContact OD1-NH1 3.37Å; D20-R22 WeakPolarHBondContact OD2-CD 3.3Å; D20-R22 IonicContact OD2-CZ 2.8Å; D20-R22 IonicContact OD2-NE 2.81Å; D20-R22 IonicContact OD2-NH1 2.79Å; D20-R22 PolarHBondContact OD2-NH1 3.2Å; R22-S25 PolarHBondContact O-N 3.07Å; R22-L26 WeakPolarHBondContact O-CG 3.34Å; R22-L26 PolarHBondContact O-N 3.15Å
23W98.8Very high98.5Very high24 Ų2468.6 Ų68.69%0.09137%0.374CS..Hα-helixtrans-64.4-46.7179.2-172.792.4000110.7P13 V14 G21 L26 H27 D75 H79 W82 R83P13-W23 HydrophobicContact CB-CE3 4.42Å; P13-W23 HydrophobicContact CB-CH2 3.74Å; P13-W23 HydrophobicContact CB-CZ3 3.53Å; V14-W23 HydrophobicContact CB-CB 4.49Å; V14-W23 HydrophobicContact CB-CD2 3.78Å; V14-W23 HydrophobicContact CB-CE3 4.45Å; V14-W23 HydrophobicContact CB-CG 3.76Å; V14-W23 HydrophobicContact CB-CZ2 4.43Å; V14-W23 HydrophobicContact CG1-CG 4.46Å; V14-W23 HydrophobicContact CG2-CD2 4.11Å; V14-W23 HydrophobicContact CG2-CG 4.15Å; V14-W23 HydrophobicContact CG2-CZ2 4.07Å; V14-W23 VanDerWaalsContact CG2-NE1 3.25Å; G21-W23 VanDerWaalsContact C-N 3.32Å; G21-W23 PolarHBondContact O-N 3.06Å; W23-L26 PolarHBondContact O-N 3.23Å; W23-H27 PolarHBondContact O-N 3.44Å; W23-D75 PolarHBondContact NE1-OD1 3.5Å; W23-H79 HydrophobicContact CZ2-CB 4.18Å; W23-W82 HydrophobicContact CH2-CD2 4.3Å; W23-W82 AromaticContact CH2-CE3 3.46Å; W23-W82 HydrophobicContact CH2-CE3 3.46Å; W23-W82 VanDerWaalsContact CH2-CE3 3.46Å; W23-W82 AromaticContact CH2-CZ3 3.69Å; W23-W82 HydrophobicContact CH2-CZ3 3.69Å; W23-W82 AromaticContact CZ3-CE3 3.95Å; W23-W82 HydrophobicContact CZ3-CE3 3.95Å; W23-W82 HydrophobicContact CZ3-CH2 4.39Å; W23-W82 AromaticContact CZ3-CZ3 3.7Å; W23-W82 HydrophobicContact CZ3-CZ3 3.7Å; W23-R83 HydrophobicContact CH2-CG 3.73Å; W23-R83 HydrophobicContact CZ2-CG 3.67Å
24M98.7Very high98.4Very high63 Ų6366.5 Ų66.531%0.3136%0.36SS..Hα-helixtrans-69.1-35.2177.1-164.5606800111.9P13 G21 L26 H27 H28 W82P13-M24 HydrophobicContact CB-CE 4.46Å; G21-M24 PolarHBondContact O-N 2.86Å; M24-L26 PolarHBondContact O-N 2.82Å; M24-H27 PolarHBondContact O-N 3.02Å; M24-H27 HydrophobicContact SD-CB 4.46Å; M24-H28 WeakPolarHBondContact O-CB 3.49Å; M24-H28 VanDerWaalsContact O-CG 3.26Å; M24-H28 PolarHBondContact O-N 3.19Å; M24-W82 HydrophobicContact CE-CH2 3.9Å; M24-W82 HydrophobicContact CE-CZ3 4.41Å; M24-W82 HydrophobicContact SD-CH2 4.15Å; M24-W82 HydrophobicContact SD-CZ3 4.49Å
25S98.8Very high98.3Very high72 Ų7271.1 Ų71.150%0.50338%0.376SS..Hα-helixtrans-60.7-42.4173.3-62.10000112.5G21 R22 R29G21-S25 WeakPolarHBondContact O-CB 3.48Å; G21-S25 PolarHBondContact O-N 2.86Å; G21-S25 PolarHBondContact O-OG 3.18Å; R22-S25 PolarHBondContact O-N 3.07Å; S25-R29 PolarHBondContact O-N 3.41Å; S25-R29 VanDerWaalsContact O-N 3.11Å
26L98.7Very high98.2Very high35 Ų3569.7 Ų69.718%0.18337%0.374CS..Hα-helixtrans-64.1-46.5174.7-74.1172.9000111.4R22 W23 M24 R29 F30 I72R22-L26 WeakPolarHBondContact O-CG 3.34Å; R22-L26 PolarHBondContact O-N 3.15Å; W23-L26 PolarHBondContact O-N 3.23Å; M24-L26 PolarHBondContact O-N 2.82Å; L26-R29 WeakPolarHBondContact O-CB 3.37Å; L26-R29 PolarHBondContact O-N 3.09Å; L26-F30 HydrophobicContact CB-CE2 4.33Å; L26-F30 VanDerWaalsContact O-CD2 3.29Å; L26-F30 WeakPolarHBondContact O-CD2 3.3Å; L26-F30 VanDerWaalsContact O-CG 3.28Å; L26-F30 WeakPolarHBondContact O-CG 3.35Å; L26-F30 PolarHBondContact O-N 3.35Å; L26-F30 VanDerWaalsContact O-N 3.08Å; L26-I72 HydrophobicContact CB-CD1 3.89Å; L26-I72 HydrophobicContact CB-CG1 4.36Å; L26-I72 HydrophobicContact CD1-CD1 4.45Å; L26-I72 HydrophobicContact CD1-CG1 4.29Å; L26-I72 HydrophobicContact CD1-CG2 4.02Å
27H98.8Very high98.2Very high6 Ų670.8 Ų70.83%0.02838%0.375CS..Hα-helixtrans-57.2-50.6176.4172.358.6000111.8W23 M24 R29 F30 V31 W82 N86 E88W23-H27 PolarHBondContact O-N 3.44Å; M24-H27 PolarHBondContact O-N 3.02Å; M24-H27 HydrophobicContact SD-CB 4.46Å; H27-R29 VanDerWaalsContact C-N 3.27Å; H27-R29 PolarHBondContact O-N 3.41Å; H27-F30 WeakPolarHBondContact O-CB 3.46Å; H27-F30 PolarHBondContact O-N 3.09Å; H27-V31 VanDerWaalsContact CE1-CG2 3.45Å; H27-V31 WeakPolarHBondContact CE1-CG2 3.5Å; H27-V31 WeakPolarHBondContact O-CG2 3.39Å; H27-V31 PolarHBondContact O-N 3.5Å; H27-W82 AromaticContact CD2-CZ3 3.63Å; H27-W82 AromaticContact CE1-CZ3 3.95Å; H27-W82 AromaticContact NE2-CH2 3.96Å; H27-W82 AromaticContact NE2-CZ3 3.56Å; H27-N86 PolarHBondContact CE1-O 2.83Å; H27-N86 VanDerWaalsContact CE1-O 3.29Å; H27-N86 PolarHBondContact NE2-O 3.3Å; H27-E88 IonicContact CE1-OE1 3.71Å; H27-E88 IonicContact CG-OE1 3.61Å; H27-E88 IonicContact ND1-OE1 3.76Å; H27-E88 PolarHBondContact ND1-OE1 3.14Å
28H98.7Very high98.1Very high116 Ų11673.9 Ų73.954%0.53738%0.382SS..Hα-helixtrans-59.1-37178-68.6164.1000112.9M24 F30 V31 A32M24-H28 WeakPolarHBondContact O-CB 3.49Å; M24-H28 VanDerWaalsContact O-CG 3.26Å; M24-H28 PolarHBondContact O-N 3.19Å; H28-F30 VanDerWaalsContact C-N 3.34Å; H28-V31 PolarHBondContact O-N 2.95Å; H28-A32 PolarHBondContact O-N 2.89Å
29R98.7Very high98.1Very high124 Ų12467.9 Ų67.947%0.46835%0.354SS..Hα-helixtrans-61.6-42.7173.2-177-17367.8-168.11.1111.4S25 L26 H27 A32 D33S25-R29 PolarHBondContact O-N 3.41Å; S25-R29 VanDerWaalsContact O-N 3.11Å; L26-R29 WeakPolarHBondContact O-CB 3.37Å; L26-R29 PolarHBondContact O-N 3.09Å; H27-R29 VanDerWaalsContact C-N 3.27Å; H27-R29 PolarHBondContact O-N 3.41Å; R29-A32 PolarHBondContact O-N 3.06Å; R29-D33 PolarHBondContact O-N 3.06Å
30F98.7Very high98.1Very high2 Ų267.7 Ų67.71%0.00934%0.335CS..Hα-helixtrans-69.6-35.8179.3-60-32.3000113.2L26 H27 H28 A32 D33 S34 N69 F70 I72 E88L26-F30 HydrophobicContact CB-CE2 4.33Å; L26-F30 VanDerWaalsContact O-CD2 3.29Å; L26-F30 WeakPolarHBondContact O-CD2 3.3Å; L26-F30 VanDerWaalsContact O-CG 3.28Å; L26-F30 WeakPolarHBondContact O-CG 3.35Å; L26-F30 PolarHBondContact O-N 3.35Å; L26-F30 VanDerWaalsContact O-N 3.08Å; H27-F30 WeakPolarHBondContact O-CB 3.46Å; H27-F30 PolarHBondContact O-N 3.09Å; H28-F30 VanDerWaalsContact C-N 3.34Å; F30-A32 VanDerWaalsContact C-N 3.34Å; F30-D33 PolarHBondContact O-N 3.26Å; F30-S34 WeakPolarHBondContact O-CB 3.43Å; F30-S34 PolarHBondContact O-N 3.44Å; F30-S34 PolarHBondContact O-OG 3.36Å; F30-N69 VanDerWaalsContact CE1-O 3.24Å; F30-N69 WeakPolarHBondContact CE1-O 3.16Å; F30-F70 HydrophobicContact CB-CD1 3.57Å; F30-F70 HydrophobicContact CB-CD2 4.47Å; F30-F70 HydrophobicContact CB-CE1 3.71Å; F30-F70 HydrophobicContact CB-CG 3.98Å; F30-F70 HydrophobicContact CB-CZ 4.23Å; F30-F70 AromaticContact CD1-CD1 3.31Å; F30-F70 HydrophobicContact CD1-CD1 3.31Å; F30-F70 AromaticContact CD1-CE1 3.78Å; F30-F70 HydrophobicContact CD1-CE1 3.78Å; F30-F70 HydrophobicContact CD1-CG 4.24Å; F30-F70 HydrophobicContact CD2-CB 3.96Å; F30-F70 HydrophobicContact CD2-CD1 4.09Å; F30-F70 HydrophobicContact CD2-CG 4.23Å; F30-F70 AromaticContact CE1-CD1 3.9Å; F30-F70 HydrophobicContact CE1-CD1 3.9Å; F30-F70 HydrophobicContact CE2-CB 4.19Å; F30-F70 HydrophobicContact CG-CB 4.17Å; F30-F70 AromaticContact CG-CD1 3.41Å; F30-F70 HydrophobicContact CG-CD1 3.41Å; F30-F70 VanDerWaalsContact CG-CD1 3.41Å; F30-F70 AromaticContact CG-CE1 3.96Å; F30-F70 HydrophobicContact CG-CE1 3.96Å; F30-F70 AromaticContact CG-CG 3.93Å; F30-F70 HydrophobicContact CG-CG 3.93Å; F30-I72 HydrophobicContact CD2-CD1 4.39Å; F30-I72 HydrophobicContact CE2-CD1 3.91Å; F30-I72 HydrophobicContact CE2-CG1 3.64Å; F30-I72 HydrophobicContact CZ-CG1 4.47Å; F30-E88 HydrophobicContact CB-CG 3.91Å
31V98.6Very high98.1Very high45 Ų4563.6 Ų63.627%0.27331%0.314SS..Hα-helixtrans-61.9-43.6170.3175.50000110.7H27 H28 S34 K35 E88H27-V31 VanDerWaalsContact CE1-CG2 3.45Å; H27-V31 WeakPolarHBondContact CE1-CG2 3.5Å; H27-V31 WeakPolarHBondContact O-CG2 3.39Å; H27-V31 PolarHBondContact O-N 3.5Å; H28-V31 PolarHBondContact O-N 2.95Å; V31-S34 PolarHBondContact O-N 3.23Å; V31-K35 PolarHBondContact O-N 2.79Å; V31-K35 VanDerWaalsContact O-N 3.15Å; V31-E88 HydrophobicContact CG2-CG 4.18Å
32A98.5Very high98.2Very high42 Ų4262.5 Ų62.535%0.34730%0.302SS..Hα-helixtrans-64.4-43.8174.800000112.3H28 R29 F30 S34 K35 D36H28-A32 PolarHBondContact O-N 2.89Å; R29-A32 PolarHBondContact O-N 3.06Å; F30-A32 VanDerWaalsContact C-N 3.34Å; A32-S34 VanDerWaalsContact C-N 3.27Å; A32-S34 PolarHBondContact O-N 3.21Å; A32-K35 WeakPolarHBondContact O-CB 3.13Å; A32-K35 PolarHBondContact O-N 3.03Å; A32-D36 PolarHBondContact O-N 3.03Å
33D98.2Very high98.2Very high34 Ų3456.5 Ų56.518%0.18228%0.279CS..Hα-helixtrans-58.5-39.4175.4-77.8-28.4000112.1R29 F30 K35 D36 K37 L68 F70R29-D33 PolarHBondContact O-N 3.06Å; F30-D33 PolarHBondContact O-N 3.26Å; D33-K35 VanDerWaalsContact C-N 3.28Å; D33-K35 PolarHBondContact O-N 3.18Å; D33-D36 PolarHBondContact O-N 3.37Å; D33-K37 HydrophobicContact CB-CD 4.37Å; D33-K37 VanDerWaalsContact CG-NZ 3.31Å; D33-K37 VanDerWaalsContact O-CB 3.26Å; D33-K37 WeakPolarHBondContact O-CB 3.21Å; D33-K37 PolarHBondContact O-N 3.48Å; D33-K37 VanDerWaalsContact O-N 3.1Å; D33-K37 IonicContact OD1-NZ 2.73Å; D33-K37 PolarHBondContact OD1-NZ 2.95Å; D33-K37 IonicContact OD2-NZ 3.74Å; D33-L68 HydrophobicContact CB-CD1 4.24Å; D33-F70 HydrophobicContact CB-CE1 4.11Å; D33-F70 HydrophobicContact CB-CZ 4.43Å
34S97Very high98.2Very high1 Ų155.3 Ų55.31%0.00728%0.275CS..Hα-helixtrans-67.1-31.5177-54.90000112F30 V31 A32 F70 E88 E90 H91 I92F30-S34 WeakPolarHBondContact O-CB 3.43Å; F30-S34 PolarHBondContact O-N 3.44Å; F30-S34 PolarHBondContact O-OG 3.36Å; V31-S34 PolarHBondContact O-N 3.23Å; A32-S34 VanDerWaalsContact C-N 3.27Å; A32-S34 PolarHBondContact O-N 3.21Å; S34-F70 WeakPolarHBondContact OG-CE2 3.31Å; S34-F70 VanDerWaalsContact OG-CZ 3.23Å; S34-F70 WeakPolarHBondContact OG-CZ 3.45Å; S34-E88 PolarHBondContact OG-O 3.11Å; S34-E90 WeakPolarHBondContact CB-O 3.42Å; S34-H91 WeakPolarHBondContact O-CB 3.49Å; S34-I92 WeakPolarHBondContact O-CG2 3.48Å
35K97.2Very high98.2Very high145 Ų14552.3 Ų52.363%0.6326%0.26SS*.Hα-helixtrans-74.3-37.5176.2-174.2179.8176-177.40113.2V31 A32 D33V31-K35 PolarHBondContact O-N 2.79Å; V31-K35 VanDerWaalsContact O-N 3.15Å; A32-K35 WeakPolarHBondContact O-CB 3.13Å; A32-K35 PolarHBondContact O-N 3.03Å; D33-K35 VanDerWaalsContact C-N 3.28Å; D33-K35 PolarHBondContact O-N 3.18Å
36D96.2Very high98.2Very high128 Ų12848.9 Ų48.968%0.68424%0.236SC*.Hα-helixtrans-99.9-4.9-168.5-64.3-24.1000113.8A32 D33A32-D36 PolarHBondContact O-N 3.03Å; D33-D36 PolarHBondContact O-N 3.37Å
37K96.8Very high98.2Very high94 Ų9447.5 Ų47.541%0.40923%0.229SC..  trans-133.5157.7-174.8-57.5172.3179.2156.10111.8D33 P39 L68D33-K37 HydrophobicContact CB-CD 4.37Å; D33-K37 VanDerWaalsContact CG-NZ 3.31Å; D33-K37 VanDerWaalsContact O-CB 3.26Å; D33-K37 WeakPolarHBondContact O-CB 3.21Å; D33-K37 PolarHBondContact O-N 3.48Å; D33-K37 VanDerWaalsContact O-N 3.1Å; D33-K37 IonicContact OD1-NZ 2.73Å; D33-K37 PolarHBondContact OD1-NZ 2.95Å; D33-K37 IonicContact OD2-NZ 3.74Å; K37-P39 WeakPolarHBondContact O-CD 3.19Å; K37-L68 HydrophobicContact CB-CD1 4.42Å; K37-L68 HydrophobicContact CD-CD1 4.46Å; K37-L68 HydrophobicContact CD-CD2 3.64Å
38E97.2Very high98.2Very high184 Ų18447.3 Ų47.386%0.8623%0.229SC*.  trans-121.479.1179.6-63.4-176.9152.100110.3
39P98.1Very high98.2Very high7 Ų741.9 Ų41.95%0.04520%0.203CC..  trans-74.8144.9-177.630.4-35.6000112.9K37 V42 H66 L68 I92 P94K37-P39 WeakPolarHBondContact O-CD 3.19Å; P39-V42 HydrophobicContact CB-CG2 4.12Å; P39-V42 HydrophobicContact CG-CG2 3.69Å; P39-H66 CarbonylContact C-O 3.48Å; P39-H66 WeakPolarHBondContact CA-O 3.46Å; P39-H66 WeakPolarHBondContact CB-O 3.41Å; P39-L68 HydrophobicContact CB-CB 4.41Å; P39-L68 HydrophobicContact CB-CD1 4.19Å; P39-L68 HydrophobicContact CB-CG 3.94Å; P39-L68 HydrophobicContact CG-CD1 3.81Å; P39-L68 HydrophobicContact CG-CG 4.13Å; P39-I92 HydrophobicContact CG-CB 4.11Å; P39-I92 HydrophobicContact CG-CD1 4.35Å; P39-I92 HydrophobicContact CG-CG2 3.9Å; P39-P94 WeakPolarHBondContact O-CA 3.42Å
40E98Very high98.2Very high63 Ų6338.4 Ų38.429%0.29419%0.193SC..SBendtrans-83.5-29164.7-69.8-164.6-149.100111.8H66 K95 I96E40-H66 HydrophobicContact CB-CB 4.38Å; E40-H66 HydrophobicContact CG-CB 4.37Å; E40-H66 PolarHBondContact N-O 3.07Å; E40-K95 HydrophobicContact CB-CD 4.35Å; E40-K95 HydrophobicContact CG-CD 4.29Å; E40-K95 PolarHBondContact O-N 2.86Å; E40-K95 VanDerWaalsContact OE2-CD 3.24Å; E40-K95 WeakPolarHBondContact OE2-CD 3.45Å; E40-K95 WeakPolarHBondContact OE2-CE 3.36Å; E40-I96 PolarHBondContact O-N 2.81Å; E40-I96 VanDerWaalsContact O-N 3.15Å
41V98.7Very high98.1Very high0 Ų039.8 Ų39.80%020%0.2CC..EExtended strand (participates in β ladder)trans-130132.3179.6-171.10000110.9F43 L65 A67 L68 I96 V98 L212 L216V41-F43 HydrophobicContact CB-CE2 4.22Å; V41-F43 HydrophobicContact CG1-CD2 3.86Å; V41-F43 HydrophobicContact CG1-CE2 3.41Å; V41-F43 VanDerWaalsContact CG1-CE2 3.41Å; V41-F43 HydrophobicContact CG1-CZ 4.19Å; V41-L65 HydrophobicContact CG2-CB 4.13Å; V41-A67 HydrophobicContact CB-CB 4.22Å; V41-A67 CarbonylContact O-C 3.55Å; V41-A67 WeakPolarHBondContact O-CA 3.28Å; V41-L68 PolarHBondContact O-N 3.33Å; V41-I96 VanDerWaalsContact CA-O 3.31Å; V41-I96 WeakPolarHBondContact CA-O 3.41Å; V41-I96 HydrophobicContact CG1-CB 4.29Å; V41-I96 HydrophobicContact CG2-CB 4.39Å; V41-V98 HydrophobicContact CG1-CG2 4.05Å; V41-L212 HydrophobicContact CG1-CD1 4.39Å; V41-L216 HydrophobicContact CG2-CD1 4.39Å
42V98.8Very high98.1Very high0 Ų037.7 Ų37.70%019%0.187CC..EExtended strand (participates in β ladder)trans-117.7126.4172.6176.60000109.3P39 F70 I92 P94 I96 V97 V98P39-V42 HydrophobicContact CB-CG2 4.12Å; P39-V42 HydrophobicContact CG-CG2 3.69Å; V42-F70 HydrophobicContact CG1-CD2 3.62Å; V42-F70 HydrophobicContact CG1-CE2 3.81Å; V42-F70 HydrophobicContact CG1-CG 4.39Å; V42-I92 HydrophobicContact CG2-CD1 3.78Å; V42-P94 HydrophobicContact CG2-CB 3.94Å; V42-P94 HydrophobicContact CG2-CG 4Å; V42-I96 PolarHBondContact N-O 3.3Å; V42-V97 CarbonylContact O-C 3.54Å; V42-V97 VanDerWaalsContact O-CA 3.32Å; V42-V97 WeakPolarHBondContact O-CA 3.1Å; V42-V98 PolarHBondContact O-N 3.31Å
43F98.9Very high98Very high1 Ų140.4 Ų40.40%0.00419%0.192CC..EExtended strand (participates in β ladder)trans-100.2129.4172.8-67.6-115.6000108.8V41 V49 M52 W58 F62 A67 L68 F70 V98 L208 L212V41-F43 HydrophobicContact CB-CE2 4.22Å; V41-F43 HydrophobicContact CG1-CD2 3.86Å; V41-F43 HydrophobicContact CG1-CE2 3.41Å; V41-F43 VanDerWaalsContact CG1-CE2 3.41Å; V41-F43 HydrophobicContact CG1-CZ 4.19Å; F43-V49 HydrophobicContact CB-CG1 3.74Å; F43-M52 HydrophobicContact CE1-SD 4.22Å; F43-W58 HydrophobicContact CB-CH2 4.26Å; F43-W58 HydrophobicContact CD1-CH2 4.3Å; F43-W58 HydrophobicContact CD1-CZ3 4.03Å; F43-W58 AromaticContact CD2-CH2 3.54Å; F43-W58 HydrophobicContact CD2-CH2 3.54Å; F43-W58 HydrophobicContact CD2-CZ3 4.08Å; F43-W58 HydrophobicContact CE1-CZ3 4.12Å; F43-W58 AromaticContact CE2-CH2 3.85Å; F43-W58 HydrophobicContact CE2-CH2 3.85Å; F43-W58 HydrophobicContact CE2-CZ3 4.21Å; F43-W58 AromaticContact CG-CH2 3.8Å; F43-W58 HydrophobicContact CG-CH2 3.8Å; F43-W58 AromaticContact CG-CZ3 4Å; F43-W58 HydrophobicContact CG-CZ3 4Å; F43-W58 HydrophobicContact CZ-CH2 4.34Å; F43-W58 HydrophobicContact CZ-CZ3 4.24Å; F43-F62 HydrophobicContact CE1-CD1 4.34Å; F43-F62 HydrophobicContact CE1-CE1 4.35Å; F43-F62 HydrophobicContact CE1-CG 4.47Å; F43-F62 HydrophobicContact CE2-CB 4.45Å; F43-F62 HydrophobicContact CE2-CD1 4.42Å; F43-F62 HydrophobicContact CE2-CG 4.47Å; F43-F62 HydrophobicContact CZ-CB 4.28Å; F43-F62 AromaticContact CZ-CD1 3.58Å; F43-F62 HydrophobicContact CZ-CD1 3.58Å; F43-F62 HydrophobicContact CZ-CD2 4.38Å; F43-F62 AromaticContact CZ-CE1 3.94Å; F43-F62 HydrophobicContact CZ-CE1 3.94Å; F43-F62 AromaticContact CZ-CG 3.83Å; F43-F62 HydrophobicContact CZ-CG 3.83Å; F43-F62 HydrophobicContact CZ-CZ 4.49Å; F43-A67 HydrophobicContact CD2-CB 4.17Å; F43-A67 HydrophobicContact CE2-CB 3.83Å; F43-L68 PolarHBondContact N-O 3.08Å; F43-F70 WeakPolarHBondContact O-CA 3.34Å; F43-F70 PolarHBondContact O-N 3.09Å; F43-V98 CarbonylContact C-O 3.54Å; F43-V98 WeakPolarHBondContact CA-O 3.35Å; F43-V98 HydrophobicContact CD1-CB 3.8Å; F43-V98 HydrophobicContact CD1-CG1 3.87Å; F43-V98 HydrophobicContact CD1-CG2 4.14Å; F43-V98 HydrophobicContact CE1-CB 4.19Å; F43-V98 HydrophobicContact CE1-CG1 4.16Å; F43-V98 HydrophobicContact CE1-CG2 4.06Å; F43-V98 HydrophobicContact CE2-CG2 4.43Å; F43-V98 HydrophobicContact CG-CB 4.05Å; F43-V98 HydrophobicContact CG-CG2 4.39Å; F43-V98 HydrophobicContact CZ-CG2 4.18Å; F43-L208 HydrophobicContact CD1-CD2 4.46Å; F43-L208 HydrophobicContact CE1-CD2 3.62Å; F43-L208 HydrophobicContact CZ-CD2 4.43Å; F43-L212 HydrophobicContact CE2-CD1 4.44Å; F43-L212 HydrophobicContact CZ-CD1 3.74Å
44I98.9Very high97.7Very high0 Ų045.7 Ų45.70%022%0.216CC..EExtended strand (participates in β ladder)trans-136.7139.4177-166171.7000110.9F70 V80 L84 V97 V98 V99 W100I44-F70 HydrophobicContact CB-CB 4.37Å; I44-F70 HydrophobicContact CG1-CB 4.11Å; I44-V80 HydrophobicContact CD1-CG1 3.79Å; I44-V80 HydrophobicContact CG1-CG1 3.95Å; I44-V80 HydrophobicContact CG2-CG1 4.46Å; I44-L84 HydrophobicContact CD1-CD1 4.15Å; I44-L84 HydrophobicContact CD1-CD2 3.3Å; I44-L84 HydrophobicContact CD1-CG 3.52Å; I44-V97 HydrophobicContact CG2-CG1 4.21Å; I44-V98 PolarHBondContact N-O 3.1Å; I44-V99 HydrophobicContact CG2-CG2 4.07Å; I44-V99 WeakPolarHBondContact O-CA 3.45Å; I44-W100 PolarHBondContact O-N 3.44Å
45G98.8Very high97.3Very high0 Ų046.8 Ų46.80%022%0.223CC..EExtended strand (participates in β ladder)trans163.4-151.2179.500000113.7G71 I72 R83 W100G45-G71 WeakPolarHBondContact O-CA 3.11Å; G45-I72 PolarHBondContact O-N 3.2Å; G45-R83 PolarHBondContact O-NH2 3.18Å; G45-W100 WeakPolarHBondContact CA-O 3.49Å
46D98.8Very high97.1Very high0 Ų045.7 Ų45.70%022%0.22CC..SBendtrans-91.9-154.5-176.564.839.5000113.5L48 V49 Q50 I72 W100 N104D46-L48 PolarHBondContact O-N 2.82Å; D46-L48 WeakPolarHBondContact OD1-CB 3.38Å; D46-L48 PolarHBondContact OD1-N 2.77Å; D46-V49 PolarHBondContact O-N 2.85Å; D46-V49 VanDerWaalsContact O-N 3.17Å; D46-Q50 PolarHBondContact O-N 2.87Å; D46-I72 CarbonylContact C-O 3.58Å; D46-I72 VanDerWaalsContact CA-O 3.27Å; D46-I72 WeakPolarHBondContact CA-O 3.35Å; D46-W100 PolarHBondContact N-O 3Å; D46-W100 VanDerWaalsContact N-O 3.11Å; D46-N104 WeakPolarHBondContact CB-ND2 3.45Å
47S98.6Very high96.9Very high5 Ų540.4 Ų40.44%0.03519%0.192CC..Hα-helixtrans-61.2-29.6179.348.10000113V49 Q50 L51 H195S47-V49 VanDerWaalsContact C-N 3.25Å; S47-V49 PolarHBondContact O-N 2.84Å; S47-Q50 PolarHBondContact O-N 2.96Å; S47-L51 VanDerWaalsContact O-CB 3.29Å; S47-L51 WeakPolarHBondContact O-CB 3.29Å; S47-L51 VanDerWaalsContact O-CG 3.25Å; S47-L51 WeakPolarHBondContact O-CG 3.31Å; S47-L51 PolarHBondContact O-N 3.43Å; S47-H195 WeakPolarHBondContact CB-NE2 3.16Å; S47-H195 PolarHBondContact OG-CD2 2.81Å; S47-H195 VanDerWaalsContact OG-CD2 3.31Å; S47-H195 PolarHBondContact OG-NE2 2.78Å
48L98.6Very high97Very high3 Ų336 Ų362%0.01617%0.173CC..Hα-helixtrans-66.2-31.7178.1-65.9172.8000111.6D46 W100 L196 Y201D46-L48 PolarHBondContact O-N 2.82Å; D46-L48 WeakPolarHBondContact OD1-CB 3.38Å; D46-L48 PolarHBondContact OD1-N 2.77Å; L48-W100 HydrophobicContact CB-CD2 3.88Å; L48-W100 HydrophobicContact CB-CE3 3.51Å; L48-W100 HydrophobicContact CB-CH2 3.79Å; L48-W100 HydrophobicContact CB-CZ2 4.16Å; L48-W100 HydrophobicContact CB-CZ3 3.46Å; L48-W100 VanDerWaalsContact CB-CZ3 3.46Å; L48-W100 HydrophobicContact CD1-CD2 4.3Å; L48-W100 HydrophobicContact CD1-CH2 4.16Å; L48-W100 HydrophobicContact CD1-CZ2 3.78Å; L48-W100 HydrophobicContact CD2-CH2 4.43Å; L48-W100 HydrophobicContact CG-CH2 4.36Å; L48-W100 HydrophobicContact CG-CZ2 4.46Å; L48-W100 HydrophobicContact CG-CZ3 4.49Å; L48-L196 HydrophobicContact CD2-CG 4.39Å; L48-Y201 WeakPolarHBondContact O-CE1 3.4Å; L48-Y201 PolarHBondContact O-OH 3.24Å; L48-Y201 VanDerWaalsContact O-OH 3.07Å
49V98.7Very high96.9Very high1 Ų136.8 Ų36.81%0.00617%0.168CC..Hα-helixtrans-75.5-48.6170.3178.90000110.4F43 D46 S47 L51 M52 N69 W100F43-V49 HydrophobicContact CB-CG1 3.74Å; D46-V49 PolarHBondContact O-N 2.85Å; D46-V49 VanDerWaalsContact O-N 3.17Å; S47-V49 VanDerWaalsContact C-N 3.25Å; S47-V49 PolarHBondContact O-N 2.84Å; V49-L51 PolarHBondContact O-N 2.87Å; V49-M52 WeakPolarHBondContact O-CB 3.48Å; V49-M52 PolarHBondContact O-N 3.4Å; V49-N69 PolarHBondContact O-ND2 2.92Å; V49-W100 HydrophobicContact CG2-CB 3.6Å; V49-W100 HydrophobicContact CG2-CE3 4.11Å; V49-W100 HydrophobicContact CG2-CG 4.47Å
50Q98.5Very high96.8Very high52 Ų5242.6 Ų42.624%0.24319%0.194CC..Hα-helixtrans-57.5-49.7-175.9-172.7-176.228.200112.3D46 S47 M52 H53 G71D46-Q50 PolarHBondContact O-N 2.87Å; S47-Q50 PolarHBondContact O-N 2.96Å; Q50-M52 VanDerWaalsContact C-N 3.31Å; Q50-M52 PolarHBondContact O-N 3Å; Q50-H53 WeakPolarHBondContact O-CB 3.38Å; Q50-H53 PolarHBondContact O-N 3.03Å; Q50-G71 WeakPolarHBondContact CB-O 3.32Å; Q50-G71 WeakPolarHBondContact CG-O 3.32Å
51L98.1Very high96.8Very high30 Ų3040.4 Ų40.416%0.15719%0.185CC..Hα-helixtrans-75.5-22.2-174.2-63.5176.1000112.1S47 V49 H53 Q54 C55 H195 Y201S47-L51 VanDerWaalsContact O-CB 3.29Å; S47-L51 WeakPolarHBondContact O-CB 3.29Å; S47-L51 VanDerWaalsContact O-CG 3.25Å; S47-L51 WeakPolarHBondContact O-CG 3.31Å; S47-L51 PolarHBondContact O-N 3.43Å; V49-L51 PolarHBondContact O-N 2.87Å; L51-H53 PolarHBondContact O-N 3.3Å; L51-Q54 WeakPolarHBondContact O-CB 3.32Å; L51-Q54 PolarHBondContact O-N 2.75Å; L51-C55 PolarHBondContact O-N 3.46Å; L51-C55 PolarHBondContact O-SG 2.93Å; L51-H195 HydrophobicContact CD1-CB 4.2Å; L51-Y201 HydrophobicContact CB-CE2 4.37Å; L51-Y201 WeakPolarHBondContact CB-OH 3.43Å
52M98.1Very high96.8Very high1 Ų140.4 Ų40.41%0.00519%0.185CC..Hα-helixtrans-55.9-40.2170.8-168.3-172-67.100110.9F43 V49 Q50 Q54 C55 W58 F62 W100 Y201 L208F43-M52 HydrophobicContact CE1-SD 4.22Å; V49-M52 WeakPolarHBondContact O-CB 3.48Å; V49-M52 PolarHBondContact O-N 3.4Å; Q50-M52 VanDerWaalsContact C-N 3.31Å; Q50-M52 PolarHBondContact O-N 3Å; M52-Q54 PolarHBondContact O-N 3.49Å; M52-C55 WeakPolarHBondContact O-CB 3.41Å; M52-C55 PolarHBondContact O-N 3.44Å; M52-C55 VanDerWaalsContact O-N 3.12Å; M52-W58 HydrophobicContact CB-CE3 4.4Å; M52-W58 HydrophobicContact CG-CE3 4Å; M52-W58 WeakPolarHBondContact O-CB 3.17Å; M52-W58 HydrophobicContact SD-CE3 4.07Å; M52-W58 HydrophobicContact SD-CZ3 4.09Å; M52-F62 HydrophobicContact CG-CE2 4.23Å; M52-F62 HydrophobicContact SD-CD2 3.95Å; M52-F62 HydrophobicContact SD-CE2 3.42Å; M52-F62 WeakPolarHBondContact SD-CE2 3.29Å; M52-F62 HydrophobicContact SD-CZ 4.15Å; M52-W100 HydrophobicContact CE-CE3 4.14Å; M52-W100 HydrophobicContact CE-CZ3 3.66Å; M52-Y201 HydrophobicContact CB-CD1 4.29Å; M52-Y201 HydrophobicContact CB-CE1 3.83Å; M52-Y201 HydrophobicContact CE-CD1 4.48Å; M52-Y201 HydrophobicContact CE-CE1 4.32Å; M52-Y201 HydrophobicContact CG-CD1 4.16Å; M52-Y201 HydrophobicContact CG-CE1 4.18Å; M52-L208 HydrophobicContact CE-CD2 4.38Å
53H96.2Very high96.7Very high100 Ų10043.1 Ų43.146%0.46320%0.203SC..THydrogen-bonded Turntrans-63.8-25.9177.9-169.961.9000113.7Q50 L51 C55 W58 N69Q50-H53 WeakPolarHBondContact O-CB 3.38Å; Q50-H53 PolarHBondContact O-N 3.03Å; L51-H53 PolarHBondContact O-N 3.3Å; H53-C55 VanDerWaalsContact C-N 3.34Å; H53-W58 HydrophobicContact CB-CD2 4.23Å; H53-W58 HydrophobicContact CB-CE3 4.39Å; H53-W58 HydrophobicContact CB-CG 4.5Å; H53-W58 AromaticContact CE1-CD1 3.74Å; H53-W58 AromaticContact CE1-CE2 3.97Å; H53-W58 AromaticContact CE1-NE1 3.43Å; H53-W58 PolarHBondContact CE1-NE1 2.95Å; H53-W58 AromaticContact ND1-CD1 3.25Å; H53-W58 AromaticContact ND1-CD2 3.51Å; H53-W58 AromaticContact ND1-CE2 3.17Å; H53-W58 AromaticContact ND1-CG 3.57Å; H53-W58 AromaticContact ND1-CZ2 3.82Å; H53-W58 AromaticContact ND1-NE1 3.01Å; H53-W58 PolarHBondContact ND1-NE1 2.9Å; H53-N69 HydrophobicContact CB-CB 4.25Å
54Q90.8Very high96.7Very high145 Ų14547 Ų4768%0.67823%0.228SC*.THydrogen-bonded Turntrans-82.9-14.6179-59.7-175.4-8.300112.5L51 M52L51-Q54 WeakPolarHBondContact O-CB 3.32Å; L51-Q54 PolarHBondContact O-N 2.75Å; M52-Q54 PolarHBondContact O-N 3.49Å
55C90.1Very high96.6Very high23 Ų2347.7 Ų47.716%0.15523%0.232CC..SBendtrans-83.2140.6176.7-64.40000110.5L51 M52 H53 I57 W58 Y201L51-C55 PolarHBondContact O-N 3.46Å; L51-C55 PolarHBondContact O-SG 2.93Å; M52-C55 WeakPolarHBondContact O-CB 3.41Å; M52-C55 PolarHBondContact O-N 3.44Å; M52-C55 VanDerWaalsContact O-N 3.12Å; H53-C55 VanDerWaalsContact C-N 3.34Å; C55-I57 HydrophobicContact CB-CG2 3.82Å; C55-I57 PolarHBondContact O-N 2.94Å; C55-W58 WeakPolarHBondContact O-CB 3.38Å; C55-W58 PolarHBondContact O-N 3.4Å; C55-Y201 WeakPolarHBondContact SG-CD2 3.42Å
56E91.4Very high96.5Very high122 Ų12253.6 Ų53.657%0.5726%0.26SS*.Hα-helixtrans-54.1-32.1179.5-170.2176.4-156.100113.1W58 R59 E60 R198E56-W58 PolarHBondContact O-N 2.89Å; E56-W58 VanDerWaalsContact O-N 3.14Å; E56-R59 PolarHBondContact O-N 3.14Å; E56-E60 PolarHBondContact O-N 2.93Å; E56-R198 IonicContact OE2-CZ 2.93Å; E56-R198 IonicContact OE2-NE 2.67Å; E56-R198 IonicContact OE2-NH2 2.67Å; E56-R198 PolarHBondContact OE2-NH2 2.92Å
57I93.5Very high96.5Very high17 Ų1754.5 Ų54.59%0.08727%0.267CS..Hα-helixtrans-58.4-25.2177-163.1163000113.6C55 E60 L61 T202 C205C55-I57 HydrophobicContact CB-CG2 3.82Å; C55-I57 PolarHBondContact O-N 2.94Å; I57-E60 PolarHBondContact O-N 3.09Å; I57-L61 HydrophobicContact CD1-CD1 3.83Å; I57-L61 HydrophobicContact CG1-CD1 3.54Å; I57-L61 HydrophobicContact CG1-CG 3.86Å; I57-L61 WeakPolarHBondContact O-CB 3.32Å; I57-L61 PolarHBondContact O-N 2.85Å; I57-T202 HydrophobicContact CD1-CG2 4.39Å; I57-C205 HydrophobicContact CD1-CB 3.6Å; I57-C205 HydrophobicContact CG1-CB 4.05Å; I57-C205 HydrophobicContact CG2-CB 4.35Å
58W97.4Very high96.5Very high2 Ų255 Ų551%0.00827%0.27CS..Hα-helixtrans-63-45.6174.4178.2-81.8000111.6F43 M52 H53 C55 E56 E60 F62 S63 A67 N69F43-W58 HydrophobicContact CB-CH2 4.26Å; F43-W58 HydrophobicContact CD1-CH2 4.3Å; F43-W58 HydrophobicContact CD1-CZ3 4.03Å; F43-W58 AromaticContact CD2-CH2 3.54Å; F43-W58 HydrophobicContact CD2-CH2 3.54Å; F43-W58 HydrophobicContact CD2-CZ3 4.08Å; F43-W58 HydrophobicContact CE1-CZ3 4.12Å; F43-W58 AromaticContact CE2-CH2 3.85Å; F43-W58 HydrophobicContact CE2-CH2 3.85Å; F43-W58 HydrophobicContact CE2-CZ3 4.21Å; F43-W58 AromaticContact CG-CH2 3.8Å; F43-W58 HydrophobicContact CG-CH2 3.8Å; F43-W58 AromaticContact CG-CZ3 4Å; F43-W58 HydrophobicContact CG-CZ3 4Å; F43-W58 HydrophobicContact CZ-CH2 4.34Å; F43-W58 HydrophobicContact CZ-CZ3 4.24Å; M52-W58 HydrophobicContact CB-CE3 4.4Å; M52-W58 HydrophobicContact CG-CE3 4Å; M52-W58 WeakPolarHBondContact O-CB 3.17Å; M52-W58 HydrophobicContact SD-CE3 4.07Å; M52-W58 HydrophobicContact SD-CZ3 4.09Å; H53-W58 HydrophobicContact CB-CD2 4.23Å; H53-W58 HydrophobicContact CB-CE3 4.39Å; H53-W58 HydrophobicContact CB-CG 4.5Å; H53-W58 AromaticContact CE1-CD1 3.74Å; H53-W58 AromaticContact CE1-CE2 3.97Å; H53-W58 AromaticContact CE1-NE1 3.43Å; H53-W58 PolarHBondContact CE1-NE1 2.95Å; H53-W58 AromaticContact ND1-CD1 3.25Å; H53-W58 AromaticContact ND1-CD2 3.51Å; H53-W58 AromaticContact ND1-CE2 3.17Å; H53-W58 AromaticContact ND1-CG 3.57Å; H53-W58 AromaticContact ND1-CZ2 3.82Å; H53-W58 AromaticContact ND1-NE1 3.01Å; H53-W58 PolarHBondContact ND1-NE1 2.9Å; C55-W58 WeakPolarHBondContact O-CB 3.38Å; C55-W58 PolarHBondContact O-N 3.4Å; E56-W58 PolarHBondContact O-N 2.89Å; E56-W58 VanDerWaalsContact O-N 3.14Å; W58-E60 VanDerWaalsContact C-N 3.25Å; W58-E60 PolarHBondContact O-N 3.41Å; W58-F62 HydrophobicContact CD2-CB 3.94Å; W58-F62 HydrophobicContact CD2-CD2 4.13Å; W58-F62 HydrophobicContact CE3-CB 4.02Å; W58-F62 AromaticContact CE3-CD2 3.59Å; W58-F62 HydrophobicContact CE3-CD2 3.59Å; W58-F62 HydrophobicContact CE3-CE2 4.49Å; W58-F62 HydrophobicContact CE3-CG 4.18Å; W58-F62 HydrophobicContact CG-CB 4.47Å; W58-F62 HydrophobicContact CH2-CB 4.3Å; W58-F62 HydrophobicContact CZ2-CB 4.24Å; W58-F62 HydrophobicContact CZ3-CB 4.19Å; W58-F62 HydrophobicContact CZ3-CD2 4.03Å; W58-F62 HydrophobicContact CZ3-CG 4.34Å; W58-F62 PolarHBondContact O-N 3.07Å; W58-S63 PolarHBondContact NE1-OG 3.41Å; W58-S63 PolarHBondContact O-N 2.95Å; W58-A67 HydrophobicContact CH2-CB 4.25Å; W58-A67 HydrophobicContact CZ2-CB 3.9Å; W58-N69 HydrophobicContact CH2-CB 3.64Å; W58-N69 WeakPolarHBondContact CH2-ND2 3.26Å; W58-N69 HydrophobicContact CZ2-CB 3.88Å; W58-N69 HydrophobicContact CZ3-CB 4.29Å; W58-N69 VanDerWaalsContact CZ3-ND2 3.25Å; W58-N69 WeakPolarHBondContact CZ3-ND2 3.4Å
59R96Very high96.5Very high200 Ų20055.9 Ų55.976%0.75527%0.274SS*.Hα-helixtrans-65.8-33.5-179.8-66.7-177.1177.8-173.4-1.1111.6E56E56-R59 PolarHBondContact O-N 3.14Å
60E96.8Very high96.5Very high129 Ų12955.9 Ų55.960%0.60327%0.274SS*.Hα-helixtrans-73.3-48.6178.2-171.7-173.5155.800112.1E56 I57 W58E56-E60 PolarHBondContact O-N 2.93Å; I57-E60 PolarHBondContact O-N 3.09Å; W58-E60 VanDerWaalsContact C-N 3.25Å; W58-E60 PolarHBondContact O-N 3.41Å
61L98.1Very high96.5Very high18 Ų1853.4 Ų53.49%0.09426%0.263CS..Hα-helixtrans-102.3-36.2-167.3-59.6-172.7000114.5I57 C205 R206 H209I57-L61 HydrophobicContact CD1-CD1 3.83Å; I57-L61 HydrophobicContact CG1-CD1 3.54Å; I57-L61 HydrophobicContact CG1-CG 3.86Å; I57-L61 WeakPolarHBondContact O-CB 3.32Å; I57-L61 PolarHBondContact O-N 2.85Å; L61-C205 HydrophobicContact CD1-CB 4.1Å; L61-R206 HydrophobicContact CD1-CG 4.44Å; L61-H209 HydrophobicContact CB-CB 4.27Å; L61-H209 HydrophobicContact CD1-CB 4.08Å; L61-H209 PolarHBondContact O-CD2 2.77Å; L61-H209 PolarHBondContact O-NE2 3.23Å
62F98.4Very high96.6Very high0 Ų052.2 Ų52.20%026%0.256CS..THydrogen-bonded Turntrans-109.6-30.4-168.8-56.3-54.9000113.6F43 M52 W58 L65 A67 C205 L208 H209 L212F43-F62 HydrophobicContact CE1-CD1 4.34Å; F43-F62 HydrophobicContact CE1-CE1 4.35Å; F43-F62 HydrophobicContact CE1-CG 4.47Å; F43-F62 HydrophobicContact CE2-CB 4.45Å; F43-F62 HydrophobicContact CE2-CD1 4.42Å; F43-F62 HydrophobicContact CE2-CG 4.47Å; F43-F62 HydrophobicContact CZ-CB 4.28Å; F43-F62 AromaticContact CZ-CD1 3.58Å; F43-F62 HydrophobicContact CZ-CD1 3.58Å; F43-F62 HydrophobicContact CZ-CD2 4.38Å; F43-F62 AromaticContact CZ-CE1 3.94Å; F43-F62 HydrophobicContact CZ-CE1 3.94Å; F43-F62 AromaticContact CZ-CG 3.83Å; F43-F62 HydrophobicContact CZ-CG 3.83Å; F43-F62 HydrophobicContact CZ-CZ 4.49Å; M52-F62 HydrophobicContact CG-CE2 4.23Å; M52-F62 HydrophobicContact SD-CD2 3.95Å; M52-F62 HydrophobicContact SD-CE2 3.42Å; M52-F62 WeakPolarHBondContact SD-CE2 3.29Å; M52-F62 HydrophobicContact SD-CZ 4.15Å; W58-F62 HydrophobicContact CD2-CB 3.94Å; W58-F62 HydrophobicContact CD2-CD2 4.13Å; W58-F62 HydrophobicContact CE3-CB 4.02Å; W58-F62 AromaticContact CE3-CD2 3.59Å; W58-F62 HydrophobicContact CE3-CD2 3.59Å; W58-F62 HydrophobicContact CE3-CE2 4.49Å; W58-F62 HydrophobicContact CE3-CG 4.18Å; W58-F62 HydrophobicContact CG-CB 4.47Å; W58-F62 HydrophobicContact CH2-CB 4.3Å; W58-F62 HydrophobicContact CZ2-CB 4.24Å; W58-F62 HydrophobicContact CZ3-CB 4.19Å; W58-F62 HydrophobicContact CZ3-CD2 4.03Å; W58-F62 HydrophobicContact CZ3-CG 4.34Å; W58-F62 PolarHBondContact O-N 3.07Å; F62-L65 HydrophobicContact CD1-CD1 4.25Å; F62-L65 WeakPolarHBondContact O-CB 3.42Å; F62-L65 PolarHBondContact O-N 3.41Å; F62-A67 HydrophobicContact CB-CB 4.44Å; F62-A67 VanDerWaalsContact O-CB 3.32Å; F62-A67 WeakPolarHBondContact O-CB 3.32Å; F62-C205 HydrophobicContact CE2-CB 3.82Å; F62-C205 HydrophobicContact CZ-CB 3.85Å; F62-L208 HydrophobicContact CE1-CD2 4.36Å; F62-L208 HydrophobicContact CE1-CG 4.22Å; F62-L208 HydrophobicContact CZ-CB 4.38Å; F62-L208 HydrophobicContact CZ-CD2 4.08Å; F62-L208 HydrophobicContact CZ-CG 4.25Å; F62-H209 HydrophobicContact CE1-CB 3.9Å; F62-H209 HydrophobicContact CZ-CB 4.39Å; F62-L212 HydrophobicContact CD1-CD1 4.06Å; F62-L212 HydrophobicContact CE1-CD1 3.92Å
63S97Very high96.6Very high56 Ų5653.9 Ų53.939%0.39227%0.274SS..G310 helixtrans-56.2-41.4172.3-75.60000113.6W58 L65 H66W58-S63 PolarHBondContact NE1-OG 3.41Å; W58-S63 PolarHBondContact O-N 2.95Å; S63-L65 PolarHBondContact O-N 3.05Å; S63-H66 PolarHBondContact O-N 2.73Å
64P97.6Very high96.7Very high82 Ų8251.3 Ų51.353%0.53227%0.274SS..G310 helixtrans-63.9-16.8175.3-23.936000114.5H66P64-H66 VanDerWaalsContact C-N 3.25Å; P64-H66 PolarHBondContact O-N 3.16Å
65L97.6Very high97.1Very high16 Ų1644.4 Ų44.48%0.08424%0.242CC..G310 helixtrans-88.213.8178.2-51.1-175.6000112.8V41 F62 S63 A67 L212 L213 L216V41-L65 HydrophobicContact CG2-CB 4.13Å; F62-L65 HydrophobicContact CD1-CD1 4.25Å; F62-L65 WeakPolarHBondContact O-CB 3.42Å; F62-L65 PolarHBondContact O-N 3.41Å; S63-L65 PolarHBondContact O-N 3.05Å; L65-A67 VanDerWaalsContact C-N 3.32Å; L65-A67 PolarHBondContact O-N 3.5Å; L65-L212 HydrophobicContact CD1-CB 4.12Å; L65-L212 HydrophobicContact CD1-CD1 3.99Å; L65-L213 HydrophobicContact CD2-CD2 3.86Å; L65-L216 HydrophobicContact CD1-CD1 4.36Å; L65-L216 HydrophobicContact CD2-CD1 3.98Å
66H97Very high97.5Very high124 Ų12443.4 Ų43.457%0.57424%0.235SC*.THydrogen-bonded Turntrans52.450.6-176.5-62.7-99000111.7P39 E40 S63 P64P39-H66 CarbonylContact C-O 3.48Å; P39-H66 WeakPolarHBondContact CA-O 3.46Å; P39-H66 WeakPolarHBondContact CB-O 3.41Å; E40-H66 HydrophobicContact CB-CB 4.38Å; E40-H66 HydrophobicContact CG-CB 4.37Å; E40-H66 PolarHBondContact N-O 3.07Å; S63-H66 PolarHBondContact O-N 2.73Å; P64-H66 VanDerWaalsContact C-N 3.25Å; P64-H66 PolarHBondContact O-N 3.16Å
67A98.3Very high97.8Very high19 Ų1937.6 Ų37.616%0.15721%0.208CC..EExtended strand (participates in β ladder)trans-93.3142.8-170.800000114.5V41 F43 W58 F62 L65V41-A67 HydrophobicContact CB-CB 4.22Å; V41-A67 CarbonylContact O-C 3.55Å; V41-A67 WeakPolarHBondContact O-CA 3.28Å; F43-A67 HydrophobicContact CD2-CB 4.17Å; F43-A67 HydrophobicContact CE2-CB 3.83Å; W58-A67 HydrophobicContact CH2-CB 4.25Å; W58-A67 HydrophobicContact CZ2-CB 3.9Å; F62-A67 HydrophobicContact CB-CB 4.44Å; F62-A67 VanDerWaalsContact O-CB 3.32Å; F62-A67 WeakPolarHBondContact O-CB 3.32Å; L65-A67 VanDerWaalsContact C-N 3.32Å; L65-A67 PolarHBondContact O-N 3.5Å
68L98.4Very high98.1Very high16 Ų1637.9 Ų37.98%0.08421%0.209CC..EExtended strand (participates in β ladder)trans-104.9150.1162.9-71.3-177.7000111.9D33 K37 P39 V41 F43 F70D33-L68 HydrophobicContact CB-CD1 4.24Å; K37-L68 HydrophobicContact CB-CD1 4.42Å; K37-L68 HydrophobicContact CD-CD1 4.46Å; K37-L68 HydrophobicContact CD-CD2 3.64Å; P39-L68 HydrophobicContact CB-CB 4.41Å; P39-L68 HydrophobicContact CB-CD1 4.19Å; P39-L68 HydrophobicContact CB-CG 3.94Å; P39-L68 HydrophobicContact CG-CD1 3.81Å; P39-L68 HydrophobicContact CG-CG 4.13Å; V41-L68 PolarHBondContact O-N 3.33Å; F43-L68 PolarHBondContact N-O 3.08Å; L68-F70 HydrophobicContact CB-CD1 4.44Å; L68-F70 HydrophobicContact CB-CE1 3.86Å; L68-F70 HydrophobicContact CB-CZ 4Å; L68-F70 HydrophobicContact CD1-CE1 3.89Å; L68-F70 HydrophobicContact CD1-CZ 3.54Å; L68-F70 HydrophobicContact CG-CE1 4.36Å; L68-F70 HydrophobicContact CG-CZ 4.36Å
69N98.7Very high98.1Very high21 Ų2139.3 Ų39.311%0.11222%0.216CC..EExtended strand (participates in β ladder)trans-123.7108.7178.2-170-56.8000110.8F30 V49 H53 W58 G71F30-N69 VanDerWaalsContact CE1-O 3.24Å; F30-N69 WeakPolarHBondContact CE1-O 3.16Å; V49-N69 PolarHBondContact O-ND2 2.92Å; H53-N69 HydrophobicContact CB-CB 4.25Å; W58-N69 HydrophobicContact CH2-CB 3.64Å; W58-N69 WeakPolarHBondContact CH2-ND2 3.26Å; W58-N69 HydrophobicContact CZ2-CB 3.88Å; W58-N69 HydrophobicContact CZ3-CB 4.29Å; W58-N69 VanDerWaalsContact CZ3-ND2 3.25Å; W58-N69 WeakPolarHBondContact CZ3-ND2 3.4Å; N69-G71 PolarHBondContact OD1-N 3.48Å
70F98.8Very high98.3Very high0 Ų029.8 Ų29.80%018%0.18CC..EExtended strand (participates in β ladder)trans-107.138.4178.1-57.7-20.4000111.4F30 D33 S34 V42 F43 I44 L68 R83 E88F30-F70 HydrophobicContact CB-CD1 3.57Å; F30-F70 HydrophobicContact CB-CD2 4.47Å; F30-F70 HydrophobicContact CB-CE1 3.71Å; F30-F70 HydrophobicContact CB-CG 3.98Å; F30-F70 HydrophobicContact CB-CZ 4.23Å; F30-F70 AromaticContact CD1-CD1 3.31Å; F30-F70 HydrophobicContact CD1-CD1 3.31Å; F30-F70 AromaticContact CD1-CE1 3.78Å; F30-F70 HydrophobicContact CD1-CE1 3.78Å; F30-F70 HydrophobicContact CD1-CG 4.24Å; F30-F70 HydrophobicContact CD2-CB 3.96Å; F30-F70 HydrophobicContact CD2-CD1 4.09Å; F30-F70 HydrophobicContact CD2-CG 4.23Å; F30-F70 AromaticContact CE1-CD1 3.9Å; F30-F70 HydrophobicContact CE1-CD1 3.9Å; F30-F70 HydrophobicContact CE2-CB 4.19Å; F30-F70 HydrophobicContact CG-CB 4.17Å; F30-F70 AromaticContact CG-CD1 3.41Å; F30-F70 HydrophobicContact CG-CD1 3.41Å; F30-F70 VanDerWaalsContact CG-CD1 3.41Å; F30-F70 AromaticContact CG-CE1 3.96Å; F30-F70 HydrophobicContact CG-CE1 3.96Å; F30-F70 AromaticContact CG-CG 3.93Å; F30-F70 HydrophobicContact CG-CG 3.93Å; D33-F70 HydrophobicContact CB-CE1 4.11Å; D33-F70 HydrophobicContact CB-CZ 4.43Å; S34-F70 WeakPolarHBondContact OG-CE2 3.31Å; S34-F70 VanDerWaalsContact OG-CZ 3.23Å; S34-F70 WeakPolarHBondContact OG-CZ 3.45Å; V42-F70 HydrophobicContact CG1-CD2 3.62Å; V42-F70 HydrophobicContact CG1-CE2 3.81Å; V42-F70 HydrophobicContact CG1-CG 4.39Å; F43-F70 WeakPolarHBondContact O-CA 3.34Å; F43-F70 PolarHBondContact O-N 3.09Å; I44-F70 HydrophobicContact CB-CB 4.37Å; I44-F70 HydrophobicContact CG1-CB 4.11Å; L68-F70 HydrophobicContact CB-CD1 4.44Å; L68-F70 HydrophobicContact CB-CE1 3.86Å; L68-F70 HydrophobicContact CB-CZ 4Å; L68-F70 HydrophobicContact CD1-CE1 3.89Å; L68-F70 HydrophobicContact CD1-CZ 3.54Å; L68-F70 HydrophobicContact CG-CE1 4.36Å; L68-F70 HydrophobicContact CG-CZ 4.36Å; F70-R83 PolarHBondContact O-NH1 2.76Å; F70-R83 PolarHBondContact O-NH2 2.98Å; F70-R83 VanDerWaalsContact O-NH2 3.16Å; F70-E88 HydrophobicContact CD2-CB 4.11Å; F70-E88 HydrophobicContact CE2-CB 4.24Å; F70-E88 WeakPolarHBondContact CE2-O 3.49Å
71G98.8Very high98.4Very high1 Ų123.9 Ų23.91%0.0115%0.153CC..EExtended strand (participates in β ladder)trans-76.4132.5172.600000112.2G45 Q50 N69G45-G71 WeakPolarHBondContact O-CA 3.11Å; Q50-G71 WeakPolarHBondContact CB-O 3.32Å; Q50-G71 WeakPolarHBondContact CG-O 3.32Å; N69-G71 PolarHBondContact OD1-N 3.48Å
72I98.8Very high98.4Very high4 Ų425.1 Ų25.12%0.02116%0.156CC..  trans-127.9120.5171.3-56.6-173.6000109.8L26 F30 G45 D46 G74 D75L26-I72 HydrophobicContact CB-CD1 3.89Å; L26-I72 HydrophobicContact CB-CG1 4.36Å; L26-I72 HydrophobicContact CD1-CD1 4.45Å; L26-I72 HydrophobicContact CD1-CG1 4.29Å; L26-I72 HydrophobicContact CD1-CG2 4.02Å; F30-I72 HydrophobicContact CD2-CD1 4.39Å; F30-I72 HydrophobicContact CE2-CD1 3.91Å; F30-I72 HydrophobicContact CE2-CG1 3.64Å; F30-I72 HydrophobicContact CZ-CG1 4.47Å; G45-I72 PolarHBondContact O-N 3.2Å; D46-I72 CarbonylContact C-O 3.58Å; D46-I72 VanDerWaalsContact CA-O 3.27Å; D46-I72 WeakPolarHBondContact CA-O 3.35Å; I72-G74 PolarHBondContact O-N 2.9Å; I72-D75 WeakPolarHBondContact O-CB 3.37Å; I72-D75 PolarHBondContact O-N 2.97Å
73G98.5Very high98.4Very high36 Ų3625.1 Ų25.137%0.37116%0.156SC..THydrogen-bonded Turntrans-56.813117700000113.1
74G98.1Very high98.5Very high46 Ų4622.5 Ų22.547%0.47414%0.138SC..THydrogen-bonded Turntrans88.4-6.1179.200000115.2I72 G76I72-G74 PolarHBondContact O-N 2.9Å; G74-G76 PolarHBondContact O-N 2.84Å
75D98.8Very high98.6Very high1 Ų122.2 Ų22.21%0.00513%0.129CC..  trans-60.6137.7177.3-89.810.1000111.9W23 I72 H79 V80 R83 N104W23-D75 PolarHBondContact NE1-OD1 3.5Å; I72-D75 WeakPolarHBondContact O-CB 3.37Å; I72-D75 PolarHBondContact O-N 2.97Å; D75-H79 HydrophobicContact CB-CB 4.23Å; D75-V80 HydrophobicContact CB-CG2 4.11Å; D75-R83 IonicContact OD2-CZ 3.93Å; D75-R83 IonicContact OD2-NE 3.85Å; D75-R83 PolarHBondContact OD2-NE 2.77Å; D75-R83 IonicContact OD2-NH2 3.97Å; D75-R83 PolarHBondContact OD2-NH2 2.77Å; D75-N104 WeakPolarHBondContact O-CB 3.37Å; D75-N104 PolarHBondContact O-ND2 3.4Å
76G98.8Very high98.6Very high1 Ų124.8 Ų24.81%0.0114%0.143CC..  trans-101173.6162.100000110.3G74 Q78 H79 V80 N105G74-G76 PolarHBondContact O-N 2.84Å; G76-Q78 VanDerWaalsContact C-N 3.27Å; G76-Q78 PolarHBondContact O-N 3.23Å; G76-H79 PolarHBondContact N-ND1 3.4Å; G76-H79 VanDerWaalsContact N-ND1 3.14Å; G76-H79 PolarHBondContact O-N 2.91Å; G76-V80 PolarHBondContact O-N 3.38Å; G76-N105 VanDerWaalsContact CA-OD1 3.3Å; G76-N105 WeakPolarHBondContact CA-OD1 3.35Å
77T98.9Very high98.7Very high0 Ų019.4 Ų19.40%012%0.121CC..Hα-helixtrans-52.5-41.5-17851.40000113.6A8 H79 V80 L81 V101 N105 V113 I117 I120A8-T77 WeakPolarHBondContact O-CB 3.44Å; A8-T77 PolarHBondContact O-OG1 3.35Å; T77-H79 VanDerWaalsContact C-N 3.3Å; T77-H79 PolarHBondContact O-N 3.42Å; T77-V80 PolarHBondContact O-N 2.94Å; T77-L81 WeakPolarHBondContact O-CB 3.31Å; T77-L81 PolarHBondContact O-N 2.98Å; T77-V101 HydrophobicContact CG2-CG1 4.09Å; T77-V101 HydrophobicContact CG2-CG2 4.38Å; T77-N105 PolarHBondContact N-ND2 2.97Å; T77-N105 PolarHBondContact N-OD1 3.03Å; T77-N105 PolarHBondContact OG1-ND2 3.38Å; T77-V113 HydrophobicContact CG2-CG1 4.39Å; T77-I117 HydrophobicContact CG2-CG1 3.84Å; T77-I120 HydrophobicContact CG2-CD1 4.26Å
78Q98.8Very high98.7Very high23 Ų2318.5 Ų18.511%0.10711%0.114CC..Hα-helixtrans-67.9-27.5-178.969.7-76.1-8.500114.1A8 K10 T12 G76 W82 N105A8-Q78 PolarHBondContact O-N 3.22Å; K10-Q78 VanDerWaalsContact O-CB 3.32Å; K10-Q78 WeakPolarHBondContact O-CB 3.35Å; T12-Q78 HydrophobicContact CG2-CB 4.18Å; T12-Q78 HydrophobicContact CG2-CG 3.58Å; T12-Q78 PolarHBondContact N-O 2.93Å; G76-Q78 VanDerWaalsContact C-N 3.27Å; G76-Q78 PolarHBondContact O-N 3.23Å; Q78-W82 PolarHBondContact O-N 3.29Å; Q78-N105 PolarHBondContact OE1-ND2 3.28Å
79H98.9Very high98.7Very high32 Ų3217.9 Ų17.915%0.14811%0.11CC..Hα-helixtrans-76.1-44.6176.6-50.8147.7000110.4T12 V14 W23 D75 G76 T77 L81 W82 R83T12-H79 WeakPolarHBondContact O-CA 3.37Å; T12-H79 PolarHBondContact O-CD2 3.4Å; V14-H79 HydrophobicContact CG2-CB 4.01Å; V14-H79 VanDerWaalsContact CG2-CG 3.43Å; V14-H79 WeakPolarHBondContact CG2-ND1 3.42Å; W23-H79 HydrophobicContact CZ2-CB 4.18Å; D75-H79 HydrophobicContact CB-CB 4.23Å; G76-H79 PolarHBondContact N-ND1 3.4Å; G76-H79 VanDerWaalsContact N-ND1 3.14Å; G76-H79 PolarHBondContact O-N 2.91Å; T77-H79 VanDerWaalsContact C-N 3.3Å; T77-H79 PolarHBondContact O-N 3.42Å; H79-L81 VanDerWaalsContact C-N 3.31Å; H79-L81 PolarHBondContact O-N 2.95Å; H79-W82 PolarHBondContact O-N 3.49Å; H79-R83 WeakPolarHBondContact O-CG 3.41Å; H79-R83 PolarHBondContact O-N 3.17Å
80V98.9Very high98.6Very high0 Ų020.3 Ų20.30%012%0.121CC..Hα-helixtrans-58.6-45.5173.21720000110.8I44 D75 G76 T77 W82 R83 L84 V101 I120I44-V80 HydrophobicContact CD1-CG1 3.79Å; I44-V80 HydrophobicContact CG1-CG1 3.95Å; I44-V80 HydrophobicContact CG2-CG1 4.46Å; D75-V80 HydrophobicContact CB-CG2 4.11Å; G76-V80 PolarHBondContact O-N 3.38Å; T77-V80 PolarHBondContact O-N 2.94Å; V80-W82 VanDerWaalsContact C-N 3.34Å; V80-W82 PolarHBondContact O-N 3.32Å; V80-R83 PolarHBondContact O-N 2.93Å; V80-L84 HydrophobicContact CG1-CD1 3.96Å; V80-L84 HydrophobicContact CG1-CG 4.43Å; V80-L84 WeakPolarHBondContact O-CG 3.39Å; V80-L84 PolarHBondContact O-N 3.11Å; V80-V101 HydrophobicContact CB-CG1 4.46Å; V80-V101 HydrophobicContact CG2-CB 4.04Å; V80-V101 HydrophobicContact CG2-CG1 4.14Å; V80-V101 HydrophobicContact CG2-CG2 3.78Å; V80-I120 HydrophobicContact CB-CD1 3.99Å; V80-I120 HydrophobicContact CG1-CD1 3.76Å; V80-I120 HydrophobicContact CG1-CG1 4.22Å; V80-I120 HydrophobicContact CG1-CG2 4.45Å
81L98.8Very high98.5Very high6 Ų627.2 Ų27.23%0.03115%0.153CC..Hα-helixtrans-58.4-46.6178.4-169.167.3000111.2S9 P11 T77 H79 R83 L84 E85 A119 I120 L123S9-L81 VanDerWaalsContact O-CD2 3.31Å; S9-L81 WeakPolarHBondContact O-CD2 3.15Å; P11-L81 HydrophobicContact CB-CD2 4.29Å; P11-L81 HydrophobicContact CB-CG 4.26Å; P11-L81 HydrophobicContact CG-CD2 3.62Å; P11-L81 HydrophobicContact CG-CG 3.91Å; T77-L81 WeakPolarHBondContact O-CB 3.31Å; T77-L81 PolarHBondContact O-N 2.98Å; H79-L81 VanDerWaalsContact C-N 3.31Å; H79-L81 PolarHBondContact O-N 2.95Å; L81-R83 PolarHBondContact O-N 3.44Å; L81-L84 PolarHBondContact O-N 2.94Å; L81-E85 WeakPolarHBondContact O-CG 3.48Å; L81-E85 PolarHBondContact O-N 2.83Å; L81-E85 VanDerWaalsContact O-N 3.08Å; L81-A119 HydrophobicContact CD1-CB 4.3Å; L81-A119 HydrophobicContact CD2-CB 4.08Å; L81-I120 HydrophobicContact CB-CG1 4.24Å; L81-I120 HydrophobicContact CD1-CG1 4.04Å; L81-L123 HydrophobicContact CD1-CB 4.04Å; L81-L123 HydrophobicContact CD1-CD2 3.62Å; L81-L123 HydrophobicContact CD1-CG 4.49Å; L81-L123 HydrophobicContact CG-CD2 4.44Å
82W98.9Very high98.5Very high44 Ų4427.7 Ų27.717%0.16716%0.155CC..Hα-helixtrans-59.1-45.2175.9-172.691.4000112.2P11 T12 P13 W23 M24 H27 Q78 H79 V80 L84 E85 N86P11-W82 HydrophobicContact CB-CB 4.07Å; T12-W82 WeakPolarHBondContact O-CB 3.36Å; P13-W82 HydrophobicContact CB-CD2 3.87Å; P13-W82 HydrophobicContact CB-CE3 4.16Å; P13-W82 HydrophobicContact CB-CG 4.37Å; P13-W82 HydrophobicContact CB-CH2 4.32Å; P13-W82 HydrophobicContact CB-CZ2 4.05Å; P13-W82 HydrophobicContact CB-CZ3 4.37Å; P13-W82 HydrophobicContact CG-CD2 4.44Å; P13-W82 HydrophobicContact CG-CZ2 4.27Å; W23-W82 HydrophobicContact CH2-CD2 4.3Å; W23-W82 AromaticContact CH2-CE3 3.46Å; W23-W82 HydrophobicContact CH2-CE3 3.46Å; W23-W82 VanDerWaalsContact CH2-CE3 3.46Å; W23-W82 AromaticContact CH2-CZ3 3.69Å; W23-W82 HydrophobicContact CH2-CZ3 3.69Å; W23-W82 AromaticContact CZ3-CE3 3.95Å; W23-W82 HydrophobicContact CZ3-CE3 3.95Å; W23-W82 HydrophobicContact CZ3-CH2 4.39Å; W23-W82 AromaticContact CZ3-CZ3 3.7Å; W23-W82 HydrophobicContact CZ3-CZ3 3.7Å; M24-W82 HydrophobicContact CE-CH2 3.9Å; M24-W82 HydrophobicContact CE-CZ3 4.41Å; M24-W82 HydrophobicContact SD-CH2 4.15Å; M24-W82 HydrophobicContact SD-CZ3 4.49Å; H27-W82 AromaticContact CD2-CZ3 3.63Å; H27-W82 AromaticContact CE1-CZ3 3.95Å; H27-W82 AromaticContact NE2-CH2 3.96Å; H27-W82 AromaticContact NE2-CZ3 3.56Å; Q78-W82 PolarHBondContact O-N 3.29Å; H79-W82 PolarHBondContact O-N 3.49Å; V80-W82 VanDerWaalsContact C-N 3.34Å; V80-W82 PolarHBondContact O-N 3.32Å; W82-L84 VanDerWaalsContact C-N 3.34Å; W82-L84 PolarHBondContact O-N 3.28Å; W82-E85 PolarHBondContact O-N 2.74Å; W82-N86 HydrophobicContact CD2-CB 4.31Å; W82-N86 HydrophobicContact CE3-CB 4.13Å; W82-N86 HydrophobicContact CH2-CB 3.98Å; W82-N86 HydrophobicContact CZ2-CB 4.13Å; W82-N86 HydrophobicContact CZ3-CB 3.98Å; W82-N86 PolarHBondContact NE1-ND2 2.81Å; W82-N86 WeakPolarHBondContact O-CB 3.38Å; W82-N86 PolarHBondContact O-N 3.43Å; W82-N86 PolarHBondContact O-ND2 3.42Å
83R98.9Very high98.5Very high0 Ų036 Ų360%019%0.187CC..Hα-helixtrans-60.7-42.6-179.8-75.5-169.1-58.9115.4-15.5112.9W23 G45 F70 D75 H79 V80 L81 N86 E88W23-R83 HydrophobicContact CH2-CG 3.73Å; W23-R83 HydrophobicContact CZ2-CG 3.67Å; G45-R83 PolarHBondContact O-NH2 3.18Å; F70-R83 PolarHBondContact O-NH1 2.76Å; F70-R83 PolarHBondContact O-NH2 2.98Å; F70-R83 VanDerWaalsContact O-NH2 3.16Å; D75-R83 IonicContact OD2-CZ 3.93Å; D75-R83 IonicContact OD2-NE 3.85Å; D75-R83 PolarHBondContact OD2-NE 2.77Å; D75-R83 IonicContact OD2-NH2 3.97Å; D75-R83 PolarHBondContact OD2-NH2 2.77Å; H79-R83 WeakPolarHBondContact O-CG 3.41Å; H79-R83 PolarHBondContact O-N 3.17Å; V80-R83 PolarHBondContact O-N 2.93Å; L81-R83 PolarHBondContact O-N 3.44Å; R83-N86 PolarHBondContact O-N 2.84Å; R83-E88 HydrophobicContact CB-CG 4.47Å; R83-E88 WeakPolarHBondContact CB-OE1 3.37Å; R83-E88 VanDerWaalsContact CD-OE1 3.29Å; R83-E88 WeakPolarHBondContact CD-OE1 3.31Å; R83-E88 IonicContact CZ-OE2 2.72Å; R83-E88 IonicContact NH1-OE1 2.84Å; R83-E88 PolarHBondContact NH1-OE1 2.82Å; R83-E88 IonicContact NH1-OE2 3.84Å; R83-E88 PolarHBondContact NH1-OE2 3.24Å; R83-E88 PolarHBondContact O-N 2.96Å
84L98.8Very high98.4Very high1 Ų134.3 Ų34.31%0.00517%0.169CC..Iπ-helixtrans-63.1-41.6175.9-68.9169.1000111.9I44 V80 L81 W82 N86 L89 I120 L123 V124I44-L84 HydrophobicContact CD1-CD1 4.15Å; I44-L84 HydrophobicContact CD1-CD2 3.3Å; I44-L84 HydrophobicContact CD1-CG 3.52Å; V80-L84 HydrophobicContact CG1-CD1 3.96Å; V80-L84 HydrophobicContact CG1-CG 4.43Å; V80-L84 WeakPolarHBondContact O-CG 3.39Å; V80-L84 PolarHBondContact O-N 3.11Å; L81-L84 PolarHBondContact O-N 2.94Å; W82-L84 VanDerWaalsContact C-N 3.34Å; W82-L84 PolarHBondContact O-N 3.28Å; L84-N86 VanDerWaalsContact C-N 3.28Å; L84-N86 PolarHBondContact O-N 2.83Å; L84-L89 HydrophobicContact CB-CD1 4.29Å; L84-L89 HydrophobicContact CB-CG 4.39Å; L84-L89 HydrophobicContact CD2-CD1 3.79Å; L84-L89 HydrophobicContact CD2-CD2 3.68Å; L84-L89 HydrophobicContact CD2-CG 3.49Å; L84-L89 VanDerWaalsContact CD2-CG 3.49Å; L84-I120 HydrophobicContact CD1-CG2 3.75Å; L84-L123 HydrophobicContact CB-CD2 3.5Å; L84-L123 HydrophobicContact CD1-CD2 4.32Å; L84-V124 HydrophobicContact CD1-CG2 4.14Å
85E98.5Very high98.4Very high75 Ų7534.7 Ų34.735%0.3516%0.157SC..Iπ-helixtrans-68.5-27177.8-70.7-177174.200113.3P11 L81 W82 L123P11-E85 WeakPolarHBondContact CB-OE2 3.44Å; P11-E85 VanDerWaalsContact CG-OE1 3.32Å; P11-E85 WeakPolarHBondContact CG-OE1 3.48Å; P11-E85 WeakPolarHBondContact CG-OE2 3.24Å; L81-E85 WeakPolarHBondContact O-CG 3.48Å; L81-E85 PolarHBondContact O-N 2.83Å; L81-E85 VanDerWaalsContact O-N 3.08Å; W82-E85 PolarHBondContact O-N 2.74Å; E85-L123 HydrophobicContact CB-CD2 4.5Å; E85-L123 HydrophobicContact CG-CD1 3.97Å; E85-L123 HydrophobicContact CG-CD2 3.45Å; E85-L123 VanDerWaalsContact CG-CD2 3.45Å; E85-L123 HydrophobicContact CG-CG 4.37Å
86N98.7Very high98.4Very high71 Ų7134.7 Ų34.738%0.3816%0.157SC..Iπ-helixtrans-107.731.5-170.2-69.5-91000113.4H27 W82 R83 L84H27-N86 PolarHBondContact CE1-O 2.83Å; H27-N86 VanDerWaalsContact CE1-O 3.29Å; H27-N86 PolarHBondContact NE2-O 3.3Å; W82-N86 HydrophobicContact CD2-CB 4.31Å; W82-N86 HydrophobicContact CE3-CB 4.13Å; W82-N86 HydrophobicContact CH2-CB 3.98Å; W82-N86 HydrophobicContact CZ2-CB 4.13Å; W82-N86 HydrophobicContact CZ3-CB 3.98Å; W82-N86 PolarHBondContact NE1-ND2 2.81Å; W82-N86 WeakPolarHBondContact O-CB 3.38Å; W82-N86 PolarHBondContact O-N 3.43Å; W82-N86 PolarHBondContact O-ND2 3.42Å; R83-N86 PolarHBondContact O-N 2.84Å; L84-N86 VanDerWaalsContact C-N 3.28Å; L84-N86 PolarHBondContact O-N 2.83Å
87G98.1Very high98.4Very high11 Ų1134.7 Ų34.711%0.11316%0.157CC..Iπ-helixtrans124.5-15.7161.500000116.3L89 E90G87-L89 PolarHBondContact O-N 3.47Å; G87-E90 WeakPolarHBondContact O-CB 3.18Å; G87-E90 PolarHBondContact O-N 3.37Å; G87-E90 VanDerWaalsContact O-N 3.11Å
88E98.5Very high98.4Very high0 Ų034.8 Ų34.80%016%0.158CC..Iπ-helixtrans-74.4-8.5-175.3-68.5-174.8-158.700114.4H27 F30 V31 S34 F70 R83H27-E88 IonicContact CE1-OE1 3.71Å; H27-E88 IonicContact CG-OE1 3.61Å; H27-E88 IonicContact ND1-OE1 3.76Å; H27-E88 PolarHBondContact ND1-OE1 3.14Å; F30-E88 HydrophobicContact CB-CG 3.91Å; V31-E88 HydrophobicContact CG2-CG 4.18Å; S34-E88 PolarHBondContact OG-O 3.11Å; F70-E88 HydrophobicContact CD2-CB 4.11Å; F70-E88 HydrophobicContact CE2-CB 4.24Å; F70-E88 WeakPolarHBondContact CE2-O 3.49Å; R83-E88 HydrophobicContact CB-CG 4.47Å; R83-E88 WeakPolarHBondContact CB-OE1 3.37Å; R83-E88 VanDerWaalsContact CD-OE1 3.29Å; R83-E88 WeakPolarHBondContact CD-OE1 3.31Å; R83-E88 IonicContact CZ-OE2 2.72Å; R83-E88 IonicContact NH1-OE1 2.84Å; R83-E88 PolarHBondContact NH1-OE1 2.82Å; R83-E88 IonicContact NH1-OE2 3.84Å; R83-E88 PolarHBondContact NH1-OE2 3.24Å; R83-E88 PolarHBondContact O-N 2.96Å
89L98Very high98.4Very high2 Ų233.7 Ų33.71%0.0115%0.153CC..THydrogen-bonded Turntrans-106.74.4169.9-68.1-174.8000113.2L84 G87 V124 R127 Q128L84-L89 HydrophobicContact CB-CD1 4.29Å; L84-L89 HydrophobicContact CB-CG 4.39Å; L84-L89 HydrophobicContact CD2-CD1 3.79Å; L84-L89 HydrophobicContact CD2-CD2 3.68Å; L84-L89 HydrophobicContact CD2-CG 3.49Å; L84-L89 VanDerWaalsContact CD2-CG 3.49Å; G87-L89 PolarHBondContact O-N 3.47Å; L89-V124 HydrophobicContact CD1-CG2 4.24Å; L89-R127 HydrophobicContact CB-CB 4.46Å; L89-R127 HydrophobicContact CD1-CB 3.88Å; L89-R127 HydrophobicContact CD1-CG 4.4Å; L89-Q128 HydrophobicContact CB-CG 4.37Å; L89-Q128 HydrophobicContact CD1-CG 4.25Å; L89-Q128 HydrophobicContact CD2-CG 4.23Å; L89-Q128 PolarHBondContact O-NE2 2.67Å
90E96.7Very high98.4Very high73 Ų7332.3 Ų32.334%0.34115%0.146SC..SBendtrans-86.2152.3-177.3-55.9-59.3144.600110.5S34 G87 I92 R127S34-E90 WeakPolarHBondContact CB-O 3.42Å; G87-E90 WeakPolarHBondContact O-CB 3.18Å; G87-E90 PolarHBondContact O-N 3.37Å; G87-E90 VanDerWaalsContact O-N 3.11Å; E90-I92 PolarHBondContact O-N 3.36Å; E90-R127 IonicContact OE1-NH1 3.51Å; E90-R127 PolarHBondContact OE1-NH1 3.38Å
91H97.6Very high98.4Very high145 Ų14532.4 Ų32.467%0.67115%0.147SC*.SBendtrans64.3-6.4177.9-50-60.1000117.3S34S34-H91 WeakPolarHBondContact O-CB 3.49Å
92I98.3Very high98.4Very high10 Ų1032.1 Ų32.15%0.05115%0.145CC..  trans-107.3160.8175.460.9-179.8000111.9S34 P39 V42 E90 Q128S34-I92 WeakPolarHBondContact O-CG2 3.48Å; P39-I92 HydrophobicContact CG-CB 4.11Å; P39-I92 HydrophobicContact CG-CD1 4.35Å; P39-I92 HydrophobicContact CG-CG2 3.9Å; V42-I92 HydrophobicContact CG2-CD1 3.78Å; E90-I92 PolarHBondContact O-N 3.36Å; I92-Q128 PolarHBondContact O-NE2 2.87Å; I92-Q128 PolarHBondContact O-OE1 2.89Å
93R98Very high98.4Very high180 Ų18030.3 Ų30.368%0.67914%0.139SC*.  trans-140.463.7174.3-164.9179.2176.3-90.20.8111.1Q130R93-Q130 HydrophobicContact CG-CG 3.97Å; R93-Q130 VanDerWaalsContact CG-NE2 3.31Å
94P98.2Very high98.4Very high0 Ų031.5 Ų31.50%015%0.146CC..  trans-62.8151.2-177.628.3-35.8000111.4P39 V42 V97 Q130 A131P39-P94 WeakPolarHBondContact O-CA 3.42Å; V42-P94 HydrophobicContact CG2-CB 3.94Å; V42-P94 HydrophobicContact CG2-CG 4Å; P94-V97 HydrophobicContact CG-CG2 3.85Å; P94-Q130 PolarHBondContact O-NE2 3.1Å; P94-Q130 VanDerWaalsContact O-NE2 3.09Å; P94-A131 WeakPolarHBondContact O-CB 3.23Å
95K98.3Very high98.4Very high53 Ų5331.6 Ų31.623%0.2315%0.146CC..SBendtrans-77.9-33.4169.1-64.8171.6-179.3-930110.8E40 A131 R132 L216 D219E40-K95 HydrophobicContact CB-CD 4.35Å; E40-K95 HydrophobicContact CG-CD 4.29Å; E40-K95 PolarHBondContact O-N 2.86Å; E40-K95 VanDerWaalsContact OE2-CD 3.24Å; E40-K95 WeakPolarHBondContact OE2-CD 3.45Å; E40-K95 WeakPolarHBondContact OE2-CE 3.36Å; K95-A131 CarbonylContact O-C 3.57Å; K95-A131 WeakPolarHBondContact O-CA 3.41Å; K95-R132 PolarHBondContact O-N 3.17Å; K95-L216 HydrophobicContact CB-CD2 3.96Å; K95-L216 HydrophobicContact CD-CD2 3.63Å; K95-L216 HydrophobicContact CG-CD2 4.47Å; K95-D219 WeakPolarHBondContact CD-OD2 3.25Å; K95-D219 WeakPolarHBondContact CG-OD2 3.39Å; K95-D219 IonicContact NZ-OD2 3.79Å; K95-D219 PolarHBondContact NZ-OD2 3.3Å
96I98.6Very high98.4Very high2 Ų232.8 Ų32.81%0.0115%0.151CC..EExtended strand (participates in β ladder)trans-135.7134.7-179-52.9176000111E40 V41 V42 V98 R132 V134 L212 L215 L216E40-I96 PolarHBondContact O-N 2.81Å; E40-I96 VanDerWaalsContact O-N 3.15Å; V41-I96 VanDerWaalsContact CA-O 3.31Å; V41-I96 WeakPolarHBondContact CA-O 3.41Å; V41-I96 HydrophobicContact CG1-CB 4.29Å; V41-I96 HydrophobicContact CG2-CB 4.39Å; V42-I96 PolarHBondContact N-O 3.3Å; I96-V98 HydrophobicContact CG2-CG2 4.21Å; I96-R132 CarbonylContact C-O 3.5Å; I96-R132 VanDerWaalsContact CA-O 3.29Å; I96-R132 WeakPolarHBondContact CA-O 3.42Å; I96-R132 HydrophobicContact CG1-CB 4.48Å; I96-V134 HydrophobicContact CG2-CG2 3.87Å; I96-L212 HydrophobicContact CB-CD2 4.39Å; I96-L212 HydrophobicContact CD1-CD2 3.81Å; I96-L212 HydrophobicContact CG2-CD2 3.68Å; I96-L215 HydrophobicContact CD1-CB 3.58Å; I96-L215 HydrophobicContact CD1-CD1 4.21Å; I96-L215 HydrophobicContact CG1-CB 4.5Å; I96-L216 HydrophobicContact CD1-CD2 3.95Å; I96-L216 HydrophobicContact CD1-CG 3.78Å; I96-L216 HydrophobicContact CG1-CD2 4.31Å
97V98.8Very high98.3Very high0 Ų033.3 Ų33.30%017%0.174CC..EExtended strand (participates in β ladder)trans-112121166.3-178.50000108.9V42 I44 P94 V99 V124 A131 R132 V133 V134V42-V97 CarbonylContact O-C 3.54Å; V42-V97 VanDerWaalsContact O-CA 3.32Å; V42-V97 WeakPolarHBondContact O-CA 3.1Å; I44-V97 HydrophobicContact CG2-CG1 4.21Å; P94-V97 HydrophobicContact CG-CG2 3.85Å; V97-V99 HydrophobicContact CG1-CG2 4.2Å; V97-V124 HydrophobicContact CB-CG1 3.91Å; V97-V124 HydrophobicContact CG1-CG1 4.22Å; V97-V124 HydrophobicContact CG1-CG2 4.24Å; V97-V124 HydrophobicContact CG2-CG1 3.81Å; V97-A131 HydrophobicContact CG2-CB 4.15Å; V97-R132 PolarHBondContact N-O 3.4Å; V97-V133 CarbonylContact O-C 3.59Å; V97-V133 WeakPolarHBondContact O-CA 3.46Å; V97-V134 PolarHBondContact O-N 3Å
98V98.9Very high98.3Very high2 Ų234.6 Ų34.61%0.01218%0.177CC..EExtended strand (participates in β ladder)trans-96.8121.9176.2-176.90000108.8V41 V42 F43 I44 I96 V134 L136 L208 L212V41-V98 HydrophobicContact CG1-CG2 4.05Å; V42-V98 PolarHBondContact O-N 3.31Å; F43-V98 CarbonylContact C-O 3.54Å; F43-V98 WeakPolarHBondContact CA-O 3.35Å; F43-V98 HydrophobicContact CD1-CB 3.8Å; F43-V98 HydrophobicContact CD1-CG1 3.87Å; F43-V98 HydrophobicContact CD1-CG2 4.14Å; F43-V98 HydrophobicContact CE1-CB 4.19Å; F43-V98 HydrophobicContact CE1-CG1 4.16Å; F43-V98 HydrophobicContact CE1-CG2 4.06Å; F43-V98 HydrophobicContact CE2-CG2 4.43Å; F43-V98 HydrophobicContact CG-CB 4.05Å; F43-V98 HydrophobicContact CG-CG2 4.39Å; F43-V98 HydrophobicContact CZ-CG2 4.18Å; I44-V98 PolarHBondContact N-O 3.1Å; I96-V98 HydrophobicContact CG2-CG2 4.21Å; V98-V134 CarbonylContact C-O 3.43Å; V98-V134 WeakPolarHBondContact CA-O 3.35Å; V98-V134 HydrophobicContact CG2-CB 4.4Å; V98-L136 HydrophobicContact CG1-CD1 3.39Å; V98-L208 HydrophobicContact CG1-CD1 4.26Å; V98-L208 HydrophobicContact CG1-CD2 4.17Å; V98-L208 HydrophobicContact CG2-CD1 4.49Å; V98-L212 HydrophobicContact CG2-CD1 4.39Å; V98-L212 HydrophobicContact CG2-CD2 3.81Å
99V98.9Very high98.3Very high1 Ų137.7 Ų37.71%0.00620%0.196CC..EExtended strand (participates in β ladder)trans-112.4124.8-178.9179.90000109.3I44 V97 V101 I120 V133 V134 V135 L136I44-V99 HydrophobicContact CG2-CG2 4.07Å; I44-V99 WeakPolarHBondContact O-CA 3.45Å; V97-V99 HydrophobicContact CG1-CG2 4.2Å; V99-V101 HydrophobicContact CG1-CG1 4.05Å; V99-I120 HydrophobicContact CG1-CG2 3.85Å; V99-I120 HydrophobicContact CG2-CG2 3.94Å; V99-V133 HydrophobicContact CG2-CG1 3.92Å; V99-V134 PolarHBondContact N-O 3.16Å; V99-V135 HydrophobicContact CB-CG2 4.36Å; V99-V135 WeakPolarHBondContact O-CA 3.31Å; V99-L136 PolarHBondContact O-N 2.91Å
100W98.9Very high98.4Very high2 Ų237.8 Ų37.81%0.00820%0.196CC..EExtended strand (participates in β ladder)trans-143.592.1173.9-163.624.9000111.1I44 G45 D46 L48 V49 M52 L136 G137 L139 L196 Y201 V204I44-W100 PolarHBondContact O-N 3.44Å; G45-W100 WeakPolarHBondContact CA-O 3.49Å; D46-W100 PolarHBondContact N-O 3Å; D46-W100 VanDerWaalsContact N-O 3.11Å; L48-W100 HydrophobicContact CB-CD2 3.88Å; L48-W100 HydrophobicContact CB-CE3 3.51Å; L48-W100 HydrophobicContact CB-CH2 3.79Å; L48-W100 HydrophobicContact CB-CZ2 4.16Å; L48-W100 HydrophobicContact CB-CZ3 3.46Å; L48-W100 VanDerWaalsContact CB-CZ3 3.46Å; L48-W100 HydrophobicContact CD1-CD2 4.3Å; L48-W100 HydrophobicContact CD1-CH2 4.16Å; L48-W100 HydrophobicContact CD1-CZ2 3.78Å; L48-W100 HydrophobicContact CD2-CH2 4.43Å; L48-W100 HydrophobicContact CG-CH2 4.36Å; L48-W100 HydrophobicContact CG-CZ2 4.46Å; L48-W100 HydrophobicContact CG-CZ3 4.49Å; V49-W100 HydrophobicContact CG2-CB 3.6Å; V49-W100 HydrophobicContact CG2-CE3 4.11Å; V49-W100 HydrophobicContact CG2-CG 4.47Å; M52-W100 HydrophobicContact CE-CE3 4.14Å; M52-W100 HydrophobicContact CE-CZ3 3.66Å; W100-L136 HydrophobicContact CB-CB 4Å; W100-L136 HydrophobicContact CD2-CB 3.99Å; W100-L136 HydrophobicContact CD2-CD2 3.63Å; W100-L136 HydrophobicContact CD2-CG 4.42Å; W100-L136 HydrophobicContact CE3-CD2 3.81Å; W100-L136 HydrophobicContact CG-CB 3.55Å; W100-L136 HydrophobicContact CG-CD2 4.03Å; W100-L136 HydrophobicContact CG-CG 4.32Å; W100-L136 HydrophobicContact CH2-CD2 4.27Å; W100-L136 HydrophobicContact CZ2-CD2 4.08Å; W100-L136 HydrophobicContact CZ3-CD2 4.12Å; W100-G137 PolarHBondContact NE1-O 2.69Å; W100-L139 HydrophobicContact CH2-CD1 3.96Å; W100-L139 HydrophobicContact CZ2-CD1 3.55Å; W100-L139 HydrophobicContact CZ2-CD2 4.49Å; W100-L139 HydrophobicContact CZ2-CG 3.76Å; W100-L196 HydrophobicContact CH2-CD1 4.02Å; W100-Y201 HydrophobicContact CZ3-CE1 4.38Å; W100-V204 HydrophobicContact CH2-CG1 3.82Å; W100-V204 HydrophobicContact CZ2-CG1 4.45Å; W100-V204 HydrophobicContact CZ3-CG1 4.38Å
101V98.9Very high98.5Very high2 Ų238.9 Ų38.91%0.01220%0.202CC..  trans-152.2148.2-177.560.90000109.9T77 V80 V99 I120T77-V101 HydrophobicContact CG2-CG1 4.09Å; T77-V101 HydrophobicContact CG2-CG2 4.38Å; V80-V101 HydrophobicContact CB-CG1 4.46Å; V80-V101 HydrophobicContact CG2-CB 4.04Å; V80-V101 HydrophobicContact CG2-CG1 4.14Å; V80-V101 HydrophobicContact CG2-CG2 3.78Å; V99-V101 HydrophobicContact CG1-CG1 4.05Å; V101-I120 HydrophobicContact CG1-CD1 3.61Å
102G98.8Very high98.5Very high0 Ų034.7 Ų34.70%018%0.182CC..  trans146.7-23.6171.400000113.7N104 N105G102-N104 PolarHBondContact O-N 3.48Å; G102-N105 WeakPolarHBondContact CA-OD1 3.16Å; G102-N105 WeakPolarHBondContact O-CB 3.37Å; G102-N105 PolarHBondContact O-N 3.06Å; G102-N105 VanDerWaalsContact O-N 3.16Å; G102-N105 PolarHBondContact O-OD1 3.33Å
103T98.8Very high98.5Very high7 Ų734.2 Ų34.24%0.04318%0.18CC..THydrogen-bonded Turntrans-66.1-24.4-176.6-160.70000112.6H106 R141 N152 L194T103-H106 PolarHBondContact O-CE1 3.27Å; T103-R141 PolarHBondContact O-NH1 2.93Å; T103-R141 WeakPolarHBondContact OG1-CD 3.44Å; T103-R141 PolarHBondContact OG1-NH1 2.93Å; T103-N152 PolarHBondContact OG1-ND2 2.78Å; T103-L194 HydrophobicContact CG2-CD1 4.32Å
104N98.8Very high98.6Very high25 Ų2526 Ų2613%0.13415%0.15CC..THydrogen-bonded Turntrans-92.6-0.4179-60-37.8000114.2D46 D75 G102 H106D46-N104 WeakPolarHBondContact CB-ND2 3.45Å; D75-N104 WeakPolarHBondContact O-CB 3.37Å; D75-N104 PolarHBondContact O-ND2 3.4Å; G102-N104 PolarHBondContact O-N 3.48Å; N104-H106 PolarHBondContact O-CD2 3.39Å; N104-H106 VanDerWaalsContact O-CD2 3.24Å; N104-H106 PolarHBondContact O-N 3.12Å
105N98.7Very high98.6Very high3 Ų327 Ų272%0.01616%0.16CC..  trans-75.458.6176.2-73.583000111.3G76 T77 Q78 G102 H108 V113 K151G76-N105 VanDerWaalsContact CA-OD1 3.3Å; G76-N105 WeakPolarHBondContact CA-OD1 3.35Å; T77-N105 PolarHBondContact N-ND2 2.97Å; T77-N105 PolarHBondContact N-OD1 3.03Å; T77-N105 PolarHBondContact OG1-ND2 3.38Å; Q78-N105 PolarHBondContact OE1-ND2 3.28Å; G102-N105 WeakPolarHBondContact CA-OD1 3.16Å; G102-N105 WeakPolarHBondContact O-CB 3.37Å; G102-N105 PolarHBondContact O-N 3.06Å; G102-N105 VanDerWaalsContact O-N 3.16Å; G102-N105 PolarHBondContact O-OD1 3.33Å; N105-H108 HydrophobicContact CB-CB 4.36Å; N105-H108 PolarHBondContact ND2-ND1 2.65Å; N105-H108 PolarHBondContact O-N 3.43Å; N105-V113 HydrophobicContact CB-CG2 3.47Å; N105-V113 VanDerWaalsContact CB-CG2 3.47Å; N105-K151 PolarHBondContact O-NZ 3.04Å
106H97.6Very high98.6Very high100 Ų10024.5 Ų24.546%0.46315%0.149SC..THydrogen-bonded Turntrans-60.1144.2174.2-54.9-58.9000109.9T103 N104 H108T103-H106 PolarHBondContact O-CE1 3.27Å; N104-H106 PolarHBondContact O-CD2 3.39Å; N104-H106 VanDerWaalsContact O-CD2 3.24Å; N104-H106 PolarHBondContact O-N 3.12Å; H106-H108 PolarHBondContact O-N 3.01Å
107G97.4Very high98.6Very high82 Ų8224.7 Ų24.785%0.84515%0.15SC*.THydrogen-bonded Turntrans80.7-20.3-176.300000115.8
108H98.4Very high98.6Very high38 Ų3830.2 Ų30.218%0.17617%0.174CC..SBendtrans-86.1149.1173.7-59.2158.7000112.4A8 N105 H106 Q112 V113 K151A8-H108 WeakPolarHBondContact CB-ND1 3.5Å; N105-H108 HydrophobicContact CB-CB 4.36Å; N105-H108 PolarHBondContact ND2-ND1 2.65Å; N105-H108 PolarHBondContact O-N 3.43Å; H106-H108 PolarHBondContact O-N 3.01Å; H108-Q112 HydrophobicContact CB-CB 4.01Å; H108-V113 HydrophobicContact CB-CG2 3.91Å; H108-K151 VanDerWaalsContact O-CE 3.26Å; H108-K151 WeakPolarHBondContact O-CE 3.25Å; H108-K151 PolarHBondContact O-NZ 2.67Å
109T98.5Very high98.6Very high65 Ų6531.3 Ų31.340%0.39918%0.183SC..  trans-73.3166.3171.680.70000111.6E111 Q112 V113T109-E111 VanDerWaalsContact C-N 3.26Å; T109-E111 WeakPolarHBondContact CB-OE2 3.42Å; T109-E111 PolarHBondContact O-N 3.31Å; T109-E111 PolarHBondContact OG1-N 2.64Å; T109-E111 PolarHBondContact OG1-OE2 3.35Å; T109-Q112 PolarHBondContact O-N 2.95Å; T109-Q112 PolarHBondContact OG1-N 3.28Å; T109-V113 WeakPolarHBondContact O-CG2 3.48Å; T109-V113 PolarHBondContact O-N 2.92Å
110A98.7Very high98.6Very high3 Ų331.2 Ų31.23%0.02518%0.183CC..Hα-helixtrans-61-36.5176.300000112.3V113 T114 K151 Q154 V155 L158A110-V113 PolarHBondContact O-N 3.36Å; A110-T114 WeakPolarHBondContact O-CB 3.23Å; A110-T114 PolarHBondContact O-N 3.46Å; A110-T114 PolarHBondContact O-OG1 3.11Å; A110-K151 HydrophobicContact CB-CG 4.37Å; A110-Q154 HydrophobicContact CB-CB 3.85Å; A110-Q154 HydrophobicContact CB-CG 3.8Å; A110-Q154 VanDerWaalsContact CB-OE1 3.27Å; A110-V155 HydrophobicContact CB-CG2 3.79Å; A110-L158 HydrophobicContact CB-CD1 4.46Å
111E98.6Very high98.5Very high97 Ų9731.4 Ų31.445%0.45318%0.184SC..Hα-helixtrans-67-42.2177.2-57.374.2-162.800111.3T109 T114 G115 Q154 L158T109-E111 VanDerWaalsContact C-N 3.26Å; T109-E111 WeakPolarHBondContact CB-OE2 3.42Å; T109-E111 PolarHBondContact O-N 3.31Å; T109-E111 PolarHBondContact OG1-N 2.64Å; T109-E111 PolarHBondContact OG1-OE2 3.35Å; E111-T114 WeakPolarHBondContact O-CB 3.41Å; E111-T114 PolarHBondContact O-N 3.02Å; E111-G115 PolarHBondContact O-N 3.42Å; E111-Q154 PolarHBondContact OE1-NE2 3.3Å; E111-L158 HydrophobicContact CG-CD1 4.1Å
112Q98.7Very high98.5Very high56 Ų5636.1 Ų36.126%0.26221%0.206SC..Hα-helixtrans-61.9-49.2175.2-74.6178.1-3400110.8N6 A8 H108 T109 T114 G115 G116N6-Q112 PolarHBondContact ND2-O 3.43Å; N6-Q112 WeakPolarHBondContact OD1-CA 3.35Å; N6-Q112 WeakPolarHBondContact OD1-CB 3.47Å; N6-Q112 WeakPolarHBondContact OD1-CG 3.28Å; A8-Q112 HydrophobicContact CB-CB 4.23Å; A8-Q112 VanDerWaalsContact CB-O 3.24Å; A8-Q112 WeakPolarHBondContact CB-O 3.41Å; H108-Q112 HydrophobicContact CB-CB 4.01Å; T109-Q112 PolarHBondContact O-N 2.95Å; T109-Q112 PolarHBondContact OG1-N 3.28Å; Q112-T114 VanDerWaalsContact C-N 3.3Å; Q112-T114 PolarHBondContact O-N 3.25Å; Q112-G115 WeakPolarHBondContact O-CA 3.4Å; Q112-G115 PolarHBondContact O-N 2.77Å; Q112-G115 VanDerWaalsContact O-N 3.08Å; Q112-G116 PolarHBondContact O-N 2.89Å
113V98.9Very high98.5Very high0 Ų036.7 Ų36.70%021%0.209CC..Hα-helixtrans-59.7-42.5176.8178.40000111.2T77 N105 H108 T109 A110 G115 G116 I117 L138 V155T77-V113 HydrophobicContact CG2-CG1 4.39Å; N105-V113 HydrophobicContact CB-CG2 3.47Å; N105-V113 VanDerWaalsContact CB-CG2 3.47Å; H108-V113 HydrophobicContact CB-CG2 3.91Å; T109-V113 WeakPolarHBondContact O-CG2 3.48Å; T109-V113 PolarHBondContact O-N 2.92Å; A110-V113 PolarHBondContact O-N 3.36Å; V113-G115 VanDerWaalsContact C-N 3.32Å; V113-G115 PolarHBondContact O-N 3.49Å; V113-G116 WeakPolarHBondContact O-CA 3.31Å; V113-G116 PolarHBondContact O-N 3.3Å; V113-G116 VanDerWaalsContact O-N 3.1Å; V113-I117 HydrophobicContact CG1-CD1 4.17Å; V113-I117 PolarHBondContact O-N 3.26Å; V113-L138 HydrophobicContact CG1-CD1 4.49Å; V113-V155 HydrophobicContact CB-CG2 3.94Å; V113-V155 HydrophobicContact CG1-CG1 4.05Å; V113-V155 HydrophobicContact CG1-CG2 4.01Å
114T98.7Very high98.4Very high9 Ų936.3 Ų36.36%0.05521%0.207CC..Hα-helixtrans-58.6-44.5173.9-59.80000111.4A110 E111 Q112 G116 I117 K118 L158 V159A110-T114 WeakPolarHBondContact O-CB 3.23Å; A110-T114 PolarHBondContact O-N 3.46Å; A110-T114 PolarHBondContact O-OG1 3.11Å; E111-T114 WeakPolarHBondContact O-CB 3.41Å; E111-T114 PolarHBondContact O-N 3.02Å; Q112-T114 VanDerWaalsContact C-N 3.3Å; Q112-T114 PolarHBondContact O-N 3.25Å; T114-G116 VanDerWaalsContact C-N 3.3Å; T114-G116 PolarHBondContact O-N 2.92Å; T114-I117 PolarHBondContact O-N 2.94Å; T114-K118 HydrophobicContact CG2-CD 4.06Å; T114-K118 HydrophobicContact CG2-CG 4.43Å; T114-K118 WeakPolarHBondContact O-CB 3.47Å; T114-K118 VanDerWaalsContact O-CG 3.31Å; T114-K118 WeakPolarHBondContact O-CG 3.44Å; T114-K118 PolarHBondContact O-N 3.44Å; T114-L158 HydrophobicContact CG2-CB 3.81Å; T114-L158 WeakPolarHBondContact OG1-CB 3.47Å; T114-V159 HydrophobicContact CG2-CG2 3.89Å
115G98.4Very high98.3Very high21 Ų2136 Ų3622%0.21621%0.206CC..Hα-helixtrans-60.5-38.2174.400000112.9E111 Q112 V113 K118 A119E111-G115 PolarHBondContact O-N 3.42Å; Q112-G115 WeakPolarHBondContact O-CA 3.4Å; Q112-G115 PolarHBondContact O-N 2.77Å; Q112-G115 VanDerWaalsContact O-N 3.08Å; V113-G115 VanDerWaalsContact C-N 3.32Å; V113-G115 PolarHBondContact O-N 3.49Å; G115-K118 PolarHBondContact O-N 3.35Å; G115-A119 WeakPolarHBondContact O-CB 3.44Å; G115-A119 PolarHBondContact O-N 3.43Å
116G98.7Very high98.3Very high0 Ų041.6 Ų41.60%023%0.231CC..Hα-helixtrans-62.9-46.4173.300000112.9A8 Q112 V113 T114 K118 A119 I120A8-G116 VanDerWaalsContact O-CA 3.29Å; A8-G116 WeakPolarHBondContact O-CA 3.37Å; Q112-G116 PolarHBondContact O-N 2.89Å; V113-G116 WeakPolarHBondContact O-CA 3.31Å; V113-G116 PolarHBondContact O-N 3.3Å; V113-G116 VanDerWaalsContact O-N 3.1Å; T114-G116 VanDerWaalsContact C-N 3.3Å; T114-G116 PolarHBondContact O-N 2.92Å; G116-K118 PolarHBondContact O-N 3.37Å; G116-A119 WeakPolarHBondContact O-CB 3.49Å; G116-A119 PolarHBondContact O-N 2.94Å; G116-I120 WeakPolarHBondContact O-CG1 3.45Å; G116-I120 PolarHBondContact O-N 3.05Å
117I98.8Very high98.3Very high6 Ų641.9 Ų41.93%0.03123%0.228CC..Hα-helixtrans-62.8-42.9175.7-67.3169000110.8T77 V113 T114 A119 I120 V121 V135 V155 V159T77-I117 HydrophobicContact CG2-CG1 3.84Å; V113-I117 HydrophobicContact CG1-CD1 4.17Å; V113-I117 PolarHBondContact O-N 3.26Å; T114-I117 PolarHBondContact O-N 2.94Å; I117-A119 VanDerWaalsContact C-N 3.32Å; I117-A119 PolarHBondContact O-N 3.45Å; I117-I120 WeakPolarHBondContact O-CB 3.49Å; I117-I120 PolarHBondContact O-N 3.43Å; I117-V121 WeakPolarHBondContact O-CG2 3.34Å; I117-V121 PolarHBondContact O-N 2.97Å; I117-V135 HydrophobicContact CG2-CG1 3.76Å; I117-V135 HydrophobicContact CG2-CG2 4.44Å; I117-V155 HydrophobicContact CD1-CG1 3.86Å; I117-V159 HydrophobicContact CB-CG2 4.29Å; I117-V159 HydrophobicContact CD1-CG2 3.86Å; I117-V159 HydrophobicContact CG2-CG1 4.14Å; I117-V159 HydrophobicContact CG2-CG2 4.12Å
118K98.3Very high98.3Very high115 Ų11538.5 Ų38.550%0.519%0.191SC..Hα-helixtrans-60.7-40.8175.4-73.2172.664.3-179.10112.1T114 G115 G116 I120 V121 Q122 A162T114-K118 HydrophobicContact CG2-CD 4.06Å; T114-K118 HydrophobicContact CG2-CG 4.43Å; T114-K118 WeakPolarHBondContact O-CB 3.47Å; T114-K118 VanDerWaalsContact O-CG 3.31Å; T114-K118 WeakPolarHBondContact O-CG 3.44Å; T114-K118 PolarHBondContact O-N 3.44Å; G115-K118 PolarHBondContact O-N 3.35Å; G116-K118 PolarHBondContact O-N 3.37Å; K118-I120 VanDerWaalsContact C-N 3.33Å; K118-V121 PolarHBondContact O-N 2.74Å; K118-Q122 WeakPolarHBondContact O-CB 3.46Å; K118-Q122 PolarHBondContact O-N 3.2Å; K118-A162 HydrophobicContact CD-CB 4.01Å; K118-A162 HydrophobicContact CG-CB 4.3Å
119A98.4Very high98.2Very high25 Ų2540 Ų4021%0.20720%0.204CC..Hα-helixtrans-62.7-40.2175.700000111.8L81 G115 G116 I117 Q122 L123L81-A119 HydrophobicContact CD1-CB 4.3Å; L81-A119 HydrophobicContact CD2-CB 4.08Å; G115-A119 WeakPolarHBondContact O-CB 3.44Å; G115-A119 PolarHBondContact O-N 3.43Å; G116-A119 WeakPolarHBondContact O-CB 3.49Å; G116-A119 PolarHBondContact O-N 2.94Å; I117-A119 VanDerWaalsContact C-N 3.32Å; I117-A119 PolarHBondContact O-N 3.45Å; A119-Q122 PolarHBondContact O-N 3.08Å; A119-L123 WeakPolarHBondContact O-CB 3.45Å; A119-L123 PolarHBondContact O-N 2.86Å
120I98.8Very high98.1Very high0 Ų039.1 Ų39.10%020%0.195CC..Hα-helixtrans-61.4-50.2173.8-68.2164.2000111T77 V80 L81 L84 V99 V101 G116 I117 K118 Q122 L123 V124T77-I120 HydrophobicContact CG2-CD1 4.26Å; V80-I120 HydrophobicContact CB-CD1 3.99Å; V80-I120 HydrophobicContact CG1-CD1 3.76Å; V80-I120 HydrophobicContact CG1-CG1 4.22Å; V80-I120 HydrophobicContact CG1-CG2 4.45Å; L81-I120 HydrophobicContact CB-CG1 4.24Å; L81-I120 HydrophobicContact CD1-CG1 4.04Å; L84-I120 HydrophobicContact CD1-CG2 3.75Å; V99-I120 HydrophobicContact CG1-CG2 3.85Å; V99-I120 HydrophobicContact CG2-CG2 3.94Å; V101-I120 HydrophobicContact CG1-CD1 3.61Å; G116-I120 WeakPolarHBondContact O-CG1 3.45Å; G116-I120 PolarHBondContact O-N 3.05Å; I117-I120 WeakPolarHBondContact O-CB 3.49Å; I117-I120 PolarHBondContact O-N 3.43Å; K118-I120 VanDerWaalsContact C-N 3.33Å; I120-Q122 VanDerWaalsContact C-N 3.29Å; I120-Q122 PolarHBondContact O-N 3.21Å; I120-L123 PolarHBondContact O-N 3.42Å; I120-V124 HydrophobicContact CG2-CG2 4.4Å; I120-V124 VanDerWaalsContact O-CG2 3.31Å; I120-V124 WeakPolarHBondContact O-CG2 3.15Å; I120-V124 PolarHBondContact O-N 2.84Å
121V98.5Very high98Very high6 Ų639 Ų394%0.03619%0.194CC..Hα-helixtrans-58.9-43.2178.9174.80000110.8I117 K118 V124 N125 V133 V135 L163 A169I117-V121 WeakPolarHBondContact O-CG2 3.34Å; I117-V121 PolarHBondContact O-N 2.97Å; K118-V121 PolarHBondContact O-N 2.74Å; V121-V124 PolarHBondContact O-N 3.46Å; V121-N125 VanDerWaalsContact O-CG 3.23Å; V121-N125 PolarHBondContact O-N 2.97Å; V121-N125 PolarHBondContact O-ND2 3.11Å; V121-V133 HydrophobicContact CG1-CB 4.48Å; V121-V133 HydrophobicContact CG1-CG1 4.47Å; V121-V133 HydrophobicContact CG2-CG1 4.07Å; V121-V135 HydrophobicContact CG2-CG2 3.6Å; V121-L163 HydrophobicContact CG1-CD2 4.34Å; V121-A169 HydrophobicContact CG1-CB 4.1Å
122Q97.6Very high98Very high100 Ų10036.5 Ų36.547%0.46718%0.18SC..Hα-helixtrans-60.7-50.3177.6-178.16225.100111.5K118 A119 I120 V124 N125 E126K118-Q122 WeakPolarHBondContact O-CB 3.46Å; K118-Q122 PolarHBondContact O-N 3.2Å; A119-Q122 PolarHBondContact O-N 3.08Å; I120-Q122 VanDerWaalsContact C-N 3.29Å; I120-Q122 PolarHBondContact O-N 3.21Å; Q122-V124 VanDerWaalsContact C-N 3.33Å; Q122-V124 PolarHBondContact O-N 2.84Å; Q122-N125 PolarHBondContact O-N 2.86Å; Q122-E126 WeakPolarHBondContact CG-OE1 3.44Å; Q122-E126 PolarHBondContact NE2-OE1 3.15Å; Q122-E126 WeakPolarHBondContact O-CG 3.46Å; Q122-E126 PolarHBondContact O-N 3.02Å
123L98.2Very high98Very high12 Ų1233.8 Ų33.86%0.06317%0.168CC..Hα-helixtrans-59.7-43.2178.2176.766.7000112L81 L84 E85 A119 I120 N125 E126 R127L81-L123 HydrophobicContact CD1-CB 4.04Å; L81-L123 HydrophobicContact CD1-CD2 3.62Å; L81-L123 HydrophobicContact CD1-CG 4.49Å; L81-L123 HydrophobicContact CG-CD2 4.44Å; L84-L123 HydrophobicContact CB-CD2 3.5Å; L84-L123 HydrophobicContact CD1-CD2 4.32Å; E85-L123 HydrophobicContact CB-CD2 4.5Å; E85-L123 HydrophobicContact CG-CD1 3.97Å; E85-L123 HydrophobicContact CG-CD2 3.45Å; E85-L123 VanDerWaalsContact CG-CD2 3.45Å; E85-L123 HydrophobicContact CG-CG 4.37Å; A119-L123 WeakPolarHBondContact O-CB 3.45Å; A119-L123 PolarHBondContact O-N 2.86Å; I120-L123 PolarHBondContact O-N 3.42Å; L123-N125 VanDerWaalsContact C-N 3.34Å; L123-N125 PolarHBondContact O-N 2.88Å; L123-E126 PolarHBondContact O-N 3.44Å; L123-R127 HydrophobicContact CD1-CG 3.92Å; L123-R127 HydrophobicContact CG-CG 4.46Å; L123-R127 PolarHBondContact O-N 3.04Å
124V98.4Very high98Very high0 Ų033.8 Ų33.80%017%0.168CC..Hα-helixtrans-61.3-44.8176.6174.10000110.5L84 L89 V97 I120 V121 Q122 E126 R127 Q128 V133L84-V124 HydrophobicContact CD1-CG2 4.14Å; L89-V124 HydrophobicContact CD1-CG2 4.24Å; V97-V124 HydrophobicContact CB-CG1 3.91Å; V97-V124 HydrophobicContact CG1-CG1 4.22Å; V97-V124 HydrophobicContact CG1-CG2 4.24Å; V97-V124 HydrophobicContact CG2-CG1 3.81Å; I120-V124 HydrophobicContact CG2-CG2 4.4Å; I120-V124 VanDerWaalsContact O-CG2 3.31Å; I120-V124 WeakPolarHBondContact O-CG2 3.15Å; I120-V124 PolarHBondContact O-N 2.84Å; V121-V124 PolarHBondContact O-N 3.46Å; Q122-V124 VanDerWaalsContact C-N 3.33Å; Q122-V124 PolarHBondContact O-N 2.84Å; V124-E126 VanDerWaalsContact C-N 3.28Å; V124-E126 PolarHBondContact O-N 3.41Å; V124-R127 PolarHBondContact O-N 3.3Å; V124-Q128 CarbonylContact O-C 3.56Å; V124-Q128 VanDerWaalsContact O-CA 3.32Å; V124-Q128 WeakPolarHBondContact O-CA 3.48Å; V124-Q128 WeakPolarHBondContact O-CB 3.33Å; V124-Q128 PolarHBondContact O-N 3.24Å; V124-V133 HydrophobicContact CB-CG2 4.1Å; V124-V133 HydrophobicContact CG1-CG2 3.57Å
125N96.6Very high98Very high19 Ų1933.5 Ų33.510%0.10217%0.166CC..Hα-helixtrans-65.1-31177.5-69.8-32.3000113V121 Q122 L123 P129 H166V121-N125 VanDerWaalsContact O-CG 3.23Å; V121-N125 PolarHBondContact O-N 2.97Å; V121-N125 PolarHBondContact O-ND2 3.11Å; Q122-N125 PolarHBondContact O-N 2.86Å; L123-N125 VanDerWaalsContact C-N 3.34Å; L123-N125 PolarHBondContact O-N 2.88Å; N125-P129 WeakPolarHBondContact O-CA 3.37Å; N125-P129 WeakPolarHBondContact O-CB 3.38Å; N125-H166 PolarHBondContact ND2-CE1 3.38Å; N125-H166 PolarHBondContact ND2-NE2 3.39Å
126E97.1Very high98Very high119 Ų11932.7 Ų32.756%0.55616%0.156SC*.Hα-helixtrans-73.1-45.1176.7-74172.3-171.900112.1Q122 L123 V124Q122-E126 WeakPolarHBondContact CG-OE1 3.44Å; Q122-E126 PolarHBondContact NE2-OE1 3.15Å; Q122-E126 WeakPolarHBondContact O-CG 3.46Å; Q122-E126 PolarHBondContact O-N 3.02Å; L123-E126 PolarHBondContact O-N 3.44Å; V124-E126 VanDerWaalsContact C-N 3.28Å; V124-E126 PolarHBondContact O-N 3.41Å
127R97.6Very high98Very high106 Ų10632.8 Ų32.840%0.416%0.157SC..Hα-helixtrans-83.2-31.6-177.4-64.8-63-177.592.38.4113.6L89 E90 L123 V124 P129L89-R127 HydrophobicContact CB-CB 4.46Å; L89-R127 HydrophobicContact CD1-CB 3.88Å; L89-R127 HydrophobicContact CD1-CG 4.4Å; E90-R127 IonicContact OE1-NH1 3.51Å; E90-R127 PolarHBondContact OE1-NH1 3.38Å; L123-R127 HydrophobicContact CD1-CG 3.92Å; L123-R127 HydrophobicContact CG-CG 4.46Å; L123-R127 PolarHBondContact O-N 3.04Å; V124-R127 PolarHBondContact O-N 3.3Å; R127-P129 VanDerWaalsContact C-CD 3.46Å
128Q97.6Very high98Very high12 Ų1232.8 Ų32.86%0.05616%0.157CC..  trans-130.362.1-175.5-62.2-67.5-17.700109.9L89 I92 V124 Q130 A131L89-Q128 HydrophobicContact CB-CG 4.37Å; L89-Q128 HydrophobicContact CD1-CG 4.25Å; L89-Q128 HydrophobicContact CD2-CG 4.23Å; L89-Q128 PolarHBondContact O-NE2 2.67Å; I92-Q128 PolarHBondContact O-NE2 2.87Å; I92-Q128 PolarHBondContact O-OE1 2.89Å; V124-Q128 CarbonylContact O-C 3.56Å; V124-Q128 VanDerWaalsContact O-CA 3.32Å; V124-Q128 WeakPolarHBondContact O-CA 3.48Å; V124-Q128 WeakPolarHBondContact O-CB 3.33Å; V124-Q128 PolarHBondContact O-N 3.24Å; Q128-Q130 PolarHBondContact O-N 2.9Å; Q128-A131 HydrophobicContact CB-CB 3.94Å; Q128-A131 WeakPolarHBondContact O-CB 3.48Å; Q128-A131 PolarHBondContact O-N 3.31Å
129P96.7Very high98.1Very high69 Ų6927.6 Ų27.645%0.44814%0.135SC..THydrogen-bonded Turntrans-62.8-20.3-171.325.1-35.7000114.7N125 R127 R168N125-P129 WeakPolarHBondContact O-CA 3.37Å; N125-P129 WeakPolarHBondContact O-CB 3.38Å; R127-P129 VanDerWaalsContact C-CD 3.46Å; P129-R168 PolarHBondContact O-NE 3.43Å
130Q96.1Very high98.1Very high46 Ų4627.1 Ų27.122%0.21513%0.13CC..THydrogen-bonded Turntrans-76.8-24.8172.680.2-68-24.400113.2R93 P94 Q128R93-Q130 HydrophobicContact CG-CG 3.97Å; R93-Q130 VanDerWaalsContact CG-NE2 3.31Å; P94-Q130 PolarHBondContact O-NE2 3.1Å; P94-Q130 VanDerWaalsContact O-NE2 3.09Å; Q128-Q130 PolarHBondContact O-N 2.9Å
131A97.9Very high98.1Very high0 Ų028.7 Ų28.70%014%0.136CC..  trans-72.5143.8-173.800000110.7P94 K95 V97 Q128P94-A131 WeakPolarHBondContact O-CB 3.23Å; K95-A131 CarbonylContact O-C 3.57Å; K95-A131 WeakPolarHBondContact O-CA 3.41Å; V97-A131 HydrophobicContact CG2-CB 4.15Å; Q128-A131 HydrophobicContact CB-CB 3.94Å; Q128-A131 WeakPolarHBondContact O-CB 3.48Å; Q128-A131 PolarHBondContact O-N 3.31Å
132R98.2Very high98.1Very high45 Ų4529.6 Ų29.617%0.1715%0.146CC..EExtended strand (participates in β ladder)trans-85.1143.6160.8-61-177.4-178.8-144.410.6109K95 I96 V97 R168 Q218K95-R132 PolarHBondContact O-N 3.17Å; I96-R132 CarbonylContact C-O 3.5Å; I96-R132 VanDerWaalsContact CA-O 3.29Å; I96-R132 WeakPolarHBondContact CA-O 3.42Å; I96-R132 HydrophobicContact CG1-CB 4.48Å; V97-R132 PolarHBondContact N-O 3.4Å; R132-R168 CarbonylContact C-O 3.53Å; R132-R168 VanDerWaalsContact CA-O 3.3Å; R132-R168 WeakPolarHBondContact CA-O 3.41Å; R132-Q218 VanDerWaalsContact CZ-OE1 3.28Å; R132-Q218 VanDerWaalsContact NH2-CB 3.33Å; R132-Q218 VanDerWaalsContact NH2-OE1 3.07Å
133V98.7Very high98.2Very high0 Ų028.6 Ų28.60%014%0.142CC..EExtended strand (participates in β ladder)trans-107125.8177.3-170.40000109.3V97 V99 V121 V124 V135 R168 A169 H170V97-V133 CarbonylContact O-C 3.59Å; V97-V133 WeakPolarHBondContact O-CA 3.46Å; V99-V133 HydrophobicContact CG2-CG1 3.92Å; V121-V133 HydrophobicContact CG1-CB 4.48Å; V121-V133 HydrophobicContact CG1-CG1 4.47Å; V121-V133 HydrophobicContact CG2-CG1 4.07Å; V124-V133 HydrophobicContact CB-CG2 4.1Å; V124-V133 HydrophobicContact CG1-CG2 3.57Å; V133-V135 HydrophobicContact CG1-CG2 4.16Å; V133-R168 PolarHBondContact N-O 3.28Å; V133-A169 HydrophobicContact CB-CB 4.37Å; V133-A169 CarbonylContact O-C 3.53Å; V133-A169 VanDerWaalsContact O-CA 3.28Å; V133-A169 WeakPolarHBondContact O-CA 3.44Å; V133-H170 PolarHBondContact O-N 3.49Å
134V98.8Very high98.2Very high0 Ų033 Ų330%016%0.162CC..EExtended strand (participates in β ladder)trans-109.2116.2171.9179.70000108.1I96 V97 V98 V99 L136 H170 L172 L208 L211 L212 L215I96-V134 HydrophobicContact CG2-CG2 3.87Å; V97-V134 PolarHBondContact O-N 3Å; V98-V134 CarbonylContact C-O 3.43Å; V98-V134 WeakPolarHBondContact CA-O 3.35Å; V98-V134 HydrophobicContact CG2-CB 4.4Å; V99-V134 PolarHBondContact N-O 3.16Å; V134-L136 HydrophobicContact CG1-CD1 4.17Å; V134-H170 CarbonylContact C-O 3.6Å; V134-H170 WeakPolarHBondContact CA-O 3.2Å; V134-H170 HydrophobicContact CG2-CB 4.37Å; V134-L172 HydrophobicContact CG1-CB 4.18Å; V134-L208 HydrophobicContact CG1-CD1 4.09Å; V134-L211 HydrophobicContact CG1-CD2 3.66Å; V134-L211 HydrophobicContact CG2-CD2 4.17Å; V134-L212 HydrophobicContact CG2-CD2 4.32Å; V134-L215 HydrophobicContact CG2-CD1 3.53Å
135V98.9Very high98.2Very high3 Ų337.5 Ų37.52%0.01819%0.191CC..EExtended strand (participates in β ladder)trans-101.7117.2175.9-176.50000108.8V99 I117 V121 V133 V159 L163 H170 F171 L172V99-V135 HydrophobicContact CB-CG2 4.36Å; V99-V135 WeakPolarHBondContact O-CA 3.31Å; I117-V135 HydrophobicContact CG2-CG1 3.76Å; I117-V135 HydrophobicContact CG2-CG2 4.44Å; V121-V135 HydrophobicContact CG2-CG2 3.6Å; V133-V135 HydrophobicContact CG1-CG2 4.16Å; V135-V159 HydrophobicContact CG1-CG1 3.99Å; V135-L163 HydrophobicContact CB-CD1 3.94Å; V135-L163 HydrophobicContact CG2-CD1 3.75Å; V135-H170 PolarHBondContact N-O 2.74Å; V135-F171 WeakPolarHBondContact O-CA 3.49Å; V135-L172 PolarHBondContact O-N 3.21Å
136L98.9Very high98.3Very high3 Ų338.9 Ų38.92%0.01620%0.199CC..EExtended strand (participates in β ladder)trans-78.7141.2173.4-83.174.6000110.6V98 V99 W100 V134 L172 A174 L208V98-L136 HydrophobicContact CG1-CD1 3.39Å; V99-L136 PolarHBondContact O-N 2.91Å; W100-L136 HydrophobicContact CB-CB 4Å; W100-L136 HydrophobicContact CD2-CB 3.99Å; W100-L136 HydrophobicContact CD2-CD2 3.63Å; W100-L136 HydrophobicContact CD2-CG 4.42Å; W100-L136 HydrophobicContact CE3-CD2 3.81Å; W100-L136 HydrophobicContact CG-CB 3.55Å; W100-L136 HydrophobicContact CG-CD2 4.03Å; W100-L136 HydrophobicContact CG-CG 4.32Å; W100-L136 HydrophobicContact CH2-CD2 4.27Å; W100-L136 HydrophobicContact CZ2-CD2 4.08Å; W100-L136 HydrophobicContact CZ3-CD2 4.12Å; V134-L136 HydrophobicContact CG1-CD1 4.17Å; L136-L172 CarbonylContact C-O 3.52Å; L136-L172 WeakPolarHBondContact CA-O 3.47Å; L136-L172 HydrophobicContact CG-CD2 4.44Å; L136-A174 HydrophobicContact CD2-CB 4.37Å; L136-L208 HydrophobicContact CD1-CD1 3.94Å; L136-L208 HydrophobicContact CD1-CD2 4.19Å; L136-L208 HydrophobicContact CD2-CD2 4.2Å
137G98.8Very high98.4Very high2 Ų238.5 Ų38.52%0.02121%0.207CC..PPolyproline II helixtrans-61.4145.6169.800000112.1W100 L139 N156 L172W100-G137 PolarHBondContact NE1-O 2.69Å; G137-L139 PolarHBondContact O-N 3.15Å; G137-N156 WeakPolarHBondContact CA-OD1 3.48Å; G137-L172 PolarHBondContact N-O 3.06Å
138L98.9Very high98.4Very high6 Ų636.1 Ų36.13%0.03120%0.201CC..PPolyproline II helixtrans-68.2124.9170.3-57-170.6000109.3V113 N152 V155 N156V113-L138 HydrophobicContact CG1-CD1 4.49Å; L138-N152 HydrophobicContact CB-CB 3.78Å; L138-N152 HydrophobicContact CD1-CB 4.4Å; L138-V155 HydrophobicContact CD1-CB 3.92Å; L138-V155 HydrophobicContact CD1-CG1 3.69Å; L138-V155 HydrophobicContact CD1-CG2 4.19Å; L138-V155 HydrophobicContact CG-CG1 4.16Å; L138-N156 PolarHBondContact N-OD1 3.4Å; L138-N156 PolarHBondContact O-ND2 2.84Å
139L98.9Very high98.5Very high6 Ų636.9 Ų36.93%0.03120%0.204CC..PPolyproline II helixtrans-71.3157.1178.8-66.2-179.7000111.9W100 G137 N152 D175 F178 M190 L196W100-L139 HydrophobicContact CH2-CD1 3.96Å; W100-L139 HydrophobicContact CZ2-CD1 3.55Å; W100-L139 HydrophobicContact CZ2-CD2 4.49Å; W100-L139 HydrophobicContact CZ2-CG 3.76Å; G137-L139 PolarHBondContact O-N 3.15Å; L139-N152 PolarHBondContact O-ND2 3.36Å; L139-D175 HydrophobicContact CD2-CB 3.89Å; L139-F178 HydrophobicContact CD1-CD2 4.48Å; L139-F178 HydrophobicContact CD1-CE2 3.91Å; L139-F178 HydrophobicContact CD2-CD2 4.16Å; L139-F178 HydrophobicContact CD2-CE2 3.92Å; L139-M190 HydrophobicContact CB-CE 4.15Å; L139-M190 HydrophobicContact CD1-CE 4.19Å; L139-L196 HydrophobicContact CD1-CD1 3.78Å; L139-L196 HydrophobicContact CD1-CD2 4.04Å; L139-L196 HydrophobicContact CD1-CG 4.09Å
140P98.8Very high98.6Very high15 Ų1537.8 Ų37.810%0.09720%0.202CC..PPolyproline II helixtrans-63.4154.1166.831.6-38000110.3R149 D175 F178 V179 I185 M190P140-R149 HydrophobicContact CB-CG 4.26Å; P140-D175 WeakPolarHBondContact CD-OD2 3.38Å; P140-D175 WeakPolarHBondContact CG-OD2 3.3Å; P140-F178 HydrophobicContact CG-CB 4.05Å; P140-V179 HydrophobicContact CB-CG2 3.64Å; P140-V179 HydrophobicContact CG-CG2 3.8Å; P140-I185 HydrophobicContact CB-CD1 3.96Å; P140-I185 HydrophobicContact CG-CD1 4.16Å; P140-M190 HydrophobicContact CG-CE 4.49Å; P140-M190 WeakPolarHBondContact O-CE 3.29Å
141R98.9Very high98.7Very high33 Ų3337 Ų3713%0.12520%0.198CC..  trans-145.7165.7179.563.9-173.9-71.1167.9-1111.9T103 N146 L148 R149 Y193 L194T103-R141 PolarHBondContact O-NH1 2.93Å; T103-R141 WeakPolarHBondContact OG1-CD 3.44Å; T103-R141 PolarHBondContact OG1-NH1 2.93Å; R141-N146 PolarHBondContact O-ND2 3.45Å; R141-L148 HydrophobicContact CG-CB 4.03Å; R141-R149 WeakPolarHBondContact O-CG 3.29Å; R141-R149 PolarHBondContact O-NE 3.08Å; R141-Y193 CarbonylContact C-O 3.53Å; R141-Y193 VanDerWaalsContact CA-O 3.29Å; R141-Y193 WeakPolarHBondContact CA-O 3.46Å; R141-Y193 WeakPolarHBondContact CB-O 3.38Å; R141-L194 HydrophobicContact CB-CD1 4.25Å; R141-L194 VanDerWaalsContact CZ-CD1 3.49Å
142G98.8Very high98.7Very high25 Ų2537.2 Ų37.226%0.25820%0.199SC..SBendtrans74.6146.2-174.300000112H144 R149 I185 Y193G142-H144 VanDerWaalsContact C-N 3.34Å; G142-H144 PolarHBondContact O-N 3.13Å; G142-R149 PolarHBondContact O-NH2 3.37Å; G142-I185 WeakPolarHBondContact O-CD1 3.36Å; G142-Y193 PolarHBondContact N-O 3.03Å
143Q98.8Very high98.8Very high80 Ų8041.2 Ų41.237%0.37421%0.214SC..SBendtrans-60.9-40.8-174.7-174.2177.84.100112.8R149 T184 I185 Y193Q143-R149 VanDerWaalsContact C-NH2 3.29Å; Q143-R149 PolarHBondContact O-NH2 2.84Å; Q143-T184 CarbonylContact O-C 3.42Å; Q143-T184 VanDerWaalsContact O-CA 3.22Å; Q143-T184 WeakPolarHBondContact O-CA 3.44Å; Q143-I185 PolarHBondContact O-N 2.7Å; Q143-Y193 HydrophobicContact CB-CD1 3.68Å; Q143-Y193 HydrophobicContact CB-CD2 4.09Å; Q143-Y193 HydrophobicContact CB-CE1 3.73Å; Q143-Y193 HydrophobicContact CB-CE2 4.13Å; Q143-Y193 HydrophobicContact CB-CG 3.86Å; Q143-Y193 HydrophobicContact CG-CD1 4.01Å; Q143-Y193 HydrophobicContact CG-CE1 3.61Å
144H98.8Very high98.8Very high103 Ų10344.2 Ų44.248%0.47723%0.228SC..SBendtrans-116.1167.8-177.3-63.2-68.5000111.6G142 N146 R149G142-H144 VanDerWaalsContact C-N 3.34Å; G142-H144 PolarHBondContact O-N 3.13Å; H144-N146 PolarHBondContact O-N 2.82Å; H144-N146 PolarHBondContact O-ND2 3.04Å; H144-R149 PolarHBondContact O-NH2 3.45Å
145P98.6Very high98.8Very high96 Ų9644.2 Ų44.262%0.62323%0.228SC*.  trans-50.9132.9173.3-27.736.9000112.1G183P145-G183 WeakPolarHBondContact CD-O 3.46Å
146N98.8Very high98.8Very high48 Ų4844.8 Ų44.826%0.25723%0.231SC..  trans-157163.9-176.367.281.1000111.1R141 H144 L148 R149R141-N146 PolarHBondContact O-ND2 3.45Å; H144-N146 PolarHBondContact O-N 2.82Å; H144-N146 PolarHBondContact O-ND2 3.04Å; N146-L148 PolarHBondContact O-N 3.03Å; N146-L148 VanDerWaalsContact O-N 3.14Å; N146-L148 WeakPolarHBondContact OD1-CA 3.44Å; N146-L148 VanDerWaalsContact OD1-CB 3.31Å; N146-L148 WeakPolarHBondContact OD1-CB 3.29Å; N146-L148 PolarHBondContact OD1-N 3.07Å; N146-R149 PolarHBondContact O-N 3.42Å; N146-R149 VanDerWaalsContact O-N 3.12Å; N146-R149 PolarHBondContact OD1-N 2.85Å
147P98.6Very high98.8Very high111 Ų11149.1 Ų49.172%0.72125%0.251SS*.Hα-helixtrans-59-25.6-176.9-27.536.3000115.5E150 K151P147-E150 PolarHBondContact O-N 3.3Å; P147-K151 WeakPolarHBondContact O-CB 3.43Å; P147-K151 PolarHBondContact O-N 3.47Å
148L98.7Very high98.8Very high55 Ų5552.1 Ų52.129%0.28827%0.266SS..Hα-helixtrans-74.5-28179.3-60177.9000112.4R141 N146 K151 N152R141-L148 HydrophobicContact CG-CB 4.03Å; N146-L148 PolarHBondContact O-N 3.03Å; N146-L148 VanDerWaalsContact O-N 3.14Å; N146-L148 WeakPolarHBondContact OD1-CA 3.44Å; N146-L148 VanDerWaalsContact OD1-CB 3.31Å; N146-L148 WeakPolarHBondContact OD1-CB 3.29Å; N146-L148 PolarHBondContact OD1-N 3.07Å; L148-K151 HydrophobicContact CD2-CD 4.49Å; L148-N152 WeakPolarHBondContact O-CB 3.49Å; L148-N152 VanDerWaalsContact O-CG 3.29Å; L148-N152 PolarHBondContact O-N 3.48Å; L148-N152 PolarHBondContact O-OD1 3.32Å
149R98.7Very high98.8Very high29 Ų2952 Ų5211%0.10927%0.266CS..Hα-helixtrans-64.9-44.5171-66.9-169.8-173.8176.83.9111.1P140 R141 G142 Q143 H144 N146 N152 R153 G183P140-R149 HydrophobicContact CB-CG 4.26Å; R141-R149 WeakPolarHBondContact O-CG 3.29Å; R141-R149 PolarHBondContact O-NE 3.08Å; G142-R149 PolarHBondContact O-NH2 3.37Å; Q143-R149 VanDerWaalsContact C-NH2 3.29Å; Q143-R149 PolarHBondContact O-NH2 2.84Å; H144-R149 PolarHBondContact O-NH2 3.45Å; N146-R149 PolarHBondContact O-N 3.42Å; N146-R149 VanDerWaalsContact O-N 3.12Å; N146-R149 PolarHBondContact OD1-N 2.85Å; R149-N152 PolarHBondContact O-N 3.27Å; R149-R153 WeakPolarHBondContact O-CB 3.24Å; R149-R153 PolarHBondContact O-N 2.74Å; R149-G183 PolarHBondContact NH1-O 3.29Å; R149-G183 PolarHBondContact NH2-O 3.19Å
150E98.6Very high98.7Very high88 Ų8856.5 Ų56.541%0.41128%0.282SS..Hα-helixtrans-60.4-50.1176.1-177.858.3-143.700110.9P147 N152 R153 Q154P147-E150 PolarHBondContact O-N 3.3Å; E150-N152 PolarHBondContact O-N 2.99Å; E150-R153 PolarHBondContact O-N 2.54Å; E150-R153 IonicContact OE1-CZ 3.73Å; E150-R153 IonicContact OE1-NE 2.64Å; E150-R153 IonicContact OE1-NH2 3.48Å; E150-R153 PolarHBondContact OE1-NH2 3.24Å; E150-R153 IonicContact OE2-CZ 3.57Å; E150-R153 IonicContact OE2-NE 3.28Å; E150-R153 IonicContact OE2-NH1 2.65Å; E150-R153 PolarHBondContact OE2-NH1 3.41Å; E150-R153 IonicContact OE2-NH2 3.09Å; E150-R153 PolarHBondContact OE2-NH2 2.9Å; E150-Q154 PolarHBondContact O-N 3.38Å
151K98.8Very high98.7Very high30 Ų3059.2 Ų59.213%0.1331%0.306CS..Hα-helixtrans-55.7-49.5176.3179-177.3166.6175.10112N105 H108 A110 P147 L148 R153 Q154 V155N105-K151 PolarHBondContact O-NZ 3.04Å; H108-K151 VanDerWaalsContact O-CE 3.26Å; H108-K151 WeakPolarHBondContact O-CE 3.25Å; H108-K151 PolarHBondContact O-NZ 2.67Å; A110-K151 HydrophobicContact CB-CG 4.37Å; P147-K151 WeakPolarHBondContact O-CB 3.43Å; P147-K151 PolarHBondContact O-N 3.47Å; L148-K151 HydrophobicContact CD2-CD 4.49Å; K151-R153 VanDerWaalsContact C-N 3.33Å; K151-R153 PolarHBondContact O-N 3.36Å; K151-Q154 PolarHBondContact O-N 3.48Å; K151-V155 WeakPolarHBondContact O-CG2 3.27Å; K151-V155 PolarHBondContact O-N 3.39Å
152N98.9Very high98.7Very high4 Ų459.8 Ų59.82%0.02132%0.318CS..Hα-helixtrans-63.6-39.8-178.7-76.87.5000111.4T103 L138 L139 L148 R149 E150 V155 N156T103-N152 PolarHBondContact OG1-ND2 2.78Å; L138-N152 HydrophobicContact CB-CB 3.78Å; L138-N152 HydrophobicContact CD1-CB 4.4Å; L139-N152 PolarHBondContact O-ND2 3.36Å; L148-N152 WeakPolarHBondContact O-CB 3.49Å; L148-N152 VanDerWaalsContact O-CG 3.29Å; L148-N152 PolarHBondContact O-N 3.48Å; L148-N152 PolarHBondContact O-OD1 3.32Å; R149-N152 PolarHBondContact O-N 3.27Å; E150-N152 PolarHBondContact O-N 2.99Å; N152-V155 PolarHBondContact O-N 3.1Å; N152-N156 PolarHBondContact O-N 3.43Å; N152-N156 PolarHBondContact O-ND2 2.66Å; N152-N156 PolarHBondContact O-OD1 3.49Å
153R98.7Very high98.6Very high129 Ų12959.3 Ų59.349%0.48731%0.309SS..Hα-helixtrans-60.3-47.4173.5-171.9-175.672.4-1500111.5R149 E150 K151 V155 N156 E157R149-R153 WeakPolarHBondContact O-CB 3.24Å; R149-R153 PolarHBondContact O-N 2.74Å; E150-R153 PolarHBondContact O-N 2.54Å; E150-R153 IonicContact OE1-CZ 3.73Å; E150-R153 IonicContact OE1-NE 2.64Å; E150-R153 IonicContact OE1-NH2 3.48Å; E150-R153 PolarHBondContact OE1-NH2 3.24Å; E150-R153 IonicContact OE2-CZ 3.57Å; E150-R153 IonicContact OE2-NE 3.28Å; E150-R153 IonicContact OE2-NH1 2.65Å; E150-R153 PolarHBondContact OE2-NH1 3.41Å; E150-R153 IonicContact OE2-NH2 3.09Å; E150-R153 PolarHBondContact OE2-NH2 2.9Å; K151-R153 VanDerWaalsContact C-N 3.33Å; K151-R153 PolarHBondContact O-N 3.36Å; R153-V155 VanDerWaalsContact C-N 3.34Å; R153-V155 PolarHBondContact O-N 2.91Å; R153-N156 WeakPolarHBondContact O-CB 3.29Å; R153-N156 PolarHBondContact O-N 2.86Å; R153-N156 VanDerWaalsContact O-N 3.11Å; R153-E157 IonicContact NE-OE1 3.48Å; R153-E157 WeakPolarHBondContact O-CG 3.2Å; R153-E157 PolarHBondContact O-N 2.98Å
154Q98.8Very high98.4Very high63 Ų6359.8 Ų59.829%0.29433%0.327SS..Hα-helixtrans-61.7-41.4178.3-167.8-172.53.100111.7A110 E111 E150 K151 N156 E157 L158A110-Q154 HydrophobicContact CB-CB 3.85Å; A110-Q154 HydrophobicContact CB-CG 3.8Å; A110-Q154 VanDerWaalsContact CB-OE1 3.27Å; E111-Q154 PolarHBondContact OE1-NE2 3.3Å; E150-Q154 PolarHBondContact O-N 3.38Å; K151-Q154 PolarHBondContact O-N 3.48Å; Q154-N156 VanDerWaalsContact C-N 3.33Å; Q154-N156 PolarHBondContact O-N 3.02Å; Q154-E157 PolarHBondContact O-N 3.31Å; Q154-L158 HydrophobicContact CG-CD1 4.21Å; Q154-L158 VanDerWaalsContact O-CG 3.28Å; Q154-L158 WeakPolarHBondContact O-CG 3.36Å; Q154-L158 PolarHBondContact O-N 3.41Å
155V98.9Very high97.8Very high0 Ų058.5 Ų58.50%034%0.342CS..Hα-helixtrans-57.8-47.1172.3173.20000110.6A110 V113 I117 L138 K151 N152 R153 E157 L158 V159A110-V155 HydrophobicContact CB-CG2 3.79Å; V113-V155 HydrophobicContact CB-CG2 3.94Å; V113-V155 HydrophobicContact CG1-CG1 4.05Å; V113-V155 HydrophobicContact CG1-CG2 4.01Å; I117-V155 HydrophobicContact CD1-CG1 3.86Å; L138-V155 HydrophobicContact CD1-CB 3.92Å; L138-V155 HydrophobicContact CD1-CG1 3.69Å; L138-V155 HydrophobicContact CD1-CG2 4.19Å; L138-V155 HydrophobicContact CG-CG1 4.16Å; K151-V155 WeakPolarHBondContact O-CG2 3.27Å; K151-V155 PolarHBondContact O-N 3.39Å; N152-V155 PolarHBondContact O-N 3.1Å; R153-V155 VanDerWaalsContact C-N 3.34Å; R153-V155 PolarHBondContact O-N 2.91Å; V155-E157 VanDerWaalsContact C-N 3.35Å; V155-E157 PolarHBondContact O-N 2.97Å; V155-L158 PolarHBondContact O-N 3.12Å; V155-V159 HydrophobicContact CG1-CG2 3.93Å; V155-V159 WeakPolarHBondContact O-CB 3.38Å; V155-V159 VanDerWaalsContact O-CG2 3.23Å; V155-V159 WeakPolarHBondContact O-CG2 3.28Å; V155-V159 PolarHBondContact O-N 3.42Å
156N98.8Very high97.5Very high15 Ų1556.7 Ų56.78%0.0833%0.325CS..Hα-helixtrans-60.9-42.2179.9-67.1-14.3000112.3G137 L138 N152 R153 Q154 R160 F171G137-N156 WeakPolarHBondContact CA-OD1 3.48Å; L138-N156 PolarHBondContact N-OD1 3.4Å; L138-N156 PolarHBondContact O-ND2 2.84Å; N152-N156 PolarHBondContact O-N 3.43Å; N152-N156 PolarHBondContact O-ND2 2.66Å; N152-N156 PolarHBondContact O-OD1 3.49Å; R153-N156 WeakPolarHBondContact O-CB 3.29Å; R153-N156 PolarHBondContact O-N 2.86Å; R153-N156 VanDerWaalsContact O-N 3.11Å; Q154-N156 VanDerWaalsContact C-N 3.33Å; Q154-N156 PolarHBondContact O-N 3.02Å; N156-R160 WeakPolarHBondContact O-CB 3.29Å; N156-R160 PolarHBondContact O-N 3.08Å; N156-F171 HydrophobicContact CB-CZ 3.85Å
157E98.7Very high97Very high94 Ų9459.2 Ų59.244%0.43934%0.344SS..Hα-helixtrans-60.9-49.3175.8-71.3168-169.200111.7R153 Q154 V155 R160 A161R153-E157 IonicContact NE-OE1 3.48Å; R153-E157 WeakPolarHBondContact O-CG 3.2Å; R153-E157 PolarHBondContact O-N 2.98Å; Q154-E157 PolarHBondContact O-N 3.31Å; V155-E157 VanDerWaalsContact C-N 3.35Å; V155-E157 PolarHBondContact O-N 2.97Å; E157-R160 PolarHBondContact O-N 2.98Å; E157-A161 WeakPolarHBondContact O-CB 3.46Å; E157-A161 PolarHBondContact O-N 3.44Å
158L98.7Very high96.8Very high64 Ų6459.2 Ų59.234%0.33533%0.329SS..Hα-helixtrans-67.5-41.5-178.9-66172.5000112.5A110 E111 T114 Q154 V155 A161 A162A110-L158 HydrophobicContact CB-CD1 4.46Å; E111-L158 HydrophobicContact CG-CD1 4.1Å; T114-L158 HydrophobicContact CG2-CB 3.81Å; T114-L158 WeakPolarHBondContact OG1-CB 3.47Å; Q154-L158 HydrophobicContact CG-CD1 4.21Å; Q154-L158 VanDerWaalsContact O-CG 3.28Å; Q154-L158 WeakPolarHBondContact O-CG 3.36Å; Q154-L158 PolarHBondContact O-N 3.41Å; V155-L158 PolarHBondContact O-N 3.12Å; L158-A161 PolarHBondContact O-N 2.94Å; L158-A162 VanDerWaalsContact O-CB 3.31Å; L158-A162 WeakPolarHBondContact O-CB 3.24Å; L158-A162 PolarHBondContact O-N 2.96Å
159V98.7Very high96.7Very high4 Ų456.8 Ų56.82%0.02432%0.317CS..Hα-helixtrans-66.3-45.4176.2173.60000110.4T114 I117 V135 V155 A161 A162 L163 F171T114-V159 HydrophobicContact CG2-CG2 3.89Å; I117-V159 HydrophobicContact CB-CG2 4.29Å; I117-V159 HydrophobicContact CD1-CG2 3.86Å; I117-V159 HydrophobicContact CG2-CG1 4.14Å; I117-V159 HydrophobicContact CG2-CG2 4.12Å; V135-V159 HydrophobicContact CG1-CG1 3.99Å; V155-V159 HydrophobicContact CG1-CG2 3.93Å; V155-V159 WeakPolarHBondContact O-CB 3.38Å; V155-V159 VanDerWaalsContact O-CG2 3.23Å; V155-V159 WeakPolarHBondContact O-CG2 3.28Å; V155-V159 PolarHBondContact O-N 3.42Å; V159-A161 VanDerWaalsContact C-N 3.32Å; V159-A161 PolarHBondContact O-N 3.16Å; V159-A162 PolarHBondContact O-N 2.93Å; V159-A162 VanDerWaalsContact O-N 3.16Å; V159-L163 HydrophobicContact CG1-CD1 3.88Å; V159-L163 HydrophobicContact CG1-CG 4.27Å; V159-L163 WeakPolarHBondContact O-CG 3.49Å; V159-L163 PolarHBondContact O-N 3.34Å; V159-F171 HydrophobicContact CB-CD2 4.33Å; V159-F171 HydrophobicContact CB-CE2 4.25Å; V159-F171 HydrophobicContact CG1-CD2 3.66Å; V159-F171 HydrophobicContact CG1-CE2 3.96Å
160R98.6Very high96.7Very high100 Ų10057.5 Ų57.538%0.37732%0.322SS..Hα-helixtrans-57-47.3176.4-175.6-173.4-64.5117-6.6110.9N156 E157 L163 A164 F171 D173N156-R160 WeakPolarHBondContact O-CB 3.29Å; N156-R160 PolarHBondContact O-N 3.08Å; E157-R160 PolarHBondContact O-N 2.98Å; R160-L163 PolarHBondContact O-N 3.44Å; R160-A164 PolarHBondContact O-N 2.92Å; R160-F171 HydrophobicContact CB-CD1 3.83Å; R160-F171 HydrophobicContact CB-CE1 4.12Å; R160-F171 HydrophobicContact CB-CG 4.05Å; R160-F171 HydrophobicContact CG-CD1 3.9Å; R160-F171 HydrophobicContact CG-CE1 4.45Å; R160-F171 HydrophobicContact CG-CG 4.37Å; R160-D173 IonicContact NH2-OD2 3.77Å; R160-D173 PolarHBondContact NH2-OD2 2.82Å
161A98.3Very high96.7Very high73 Ų7355.3 Ų55.360%0.60331%0.311SS*.Hα-helixtrans-62.1-42.4176.500000112.3E157 L158 V159 L163 A164E157-A161 WeakPolarHBondContact O-CB 3.46Å; E157-A161 PolarHBondContact O-N 3.44Å; L158-A161 PolarHBondContact O-N 2.94Å; V159-A161 VanDerWaalsContact C-N 3.32Å; V159-A161 PolarHBondContact O-N 3.16Å; A161-L163 VanDerWaalsContact C-N 3.28Å; A161-L163 PolarHBondContact O-N 3.22Å; A161-A164 PolarHBondContact O-N 3.49Å
162A97.4Very high96.7Very high45 Ų4555.1 Ų55.137%0.37231%0.311SS..Hα-helixtrans-65.2-29.4178.700000113.5K118 L158 V159K118-A162 HydrophobicContact CD-CB 4.01Å; K118-A162 HydrophobicContact CG-CB 4.3Å; L158-A162 VanDerWaalsContact O-CB 3.31Å; L158-A162 WeakPolarHBondContact O-CB 3.24Å; L158-A162 PolarHBondContact O-N 2.96Å; V159-A162 PolarHBondContact O-N 2.93Å; V159-A162 VanDerWaalsContact O-N 3.16Å
163L97.3Very high96.7Very high14 Ų1458.6 Ų58.67%0.07333%0.33CS..Hα-helixtrans-95.9-11.3-178.1-60.8-174.9000114.1V121 V135 V159 R160 A161 G165 H166 A169 F171V121-L163 HydrophobicContact CG1-CD2 4.34Å; V135-L163 HydrophobicContact CB-CD1 3.94Å; V135-L163 HydrophobicContact CG2-CD1 3.75Å; V159-L163 HydrophobicContact CG1-CD1 3.88Å; V159-L163 HydrophobicContact CG1-CG 4.27Å; V159-L163 WeakPolarHBondContact O-CG 3.49Å; V159-L163 PolarHBondContact O-N 3.34Å; R160-L163 PolarHBondContact O-N 3.44Å; A161-L163 VanDerWaalsContact C-N 3.28Å; A161-L163 PolarHBondContact O-N 3.22Å; L163-G165 PolarHBondContact O-N 3.46Å; L163-H166 WeakPolarHBondContact O-CB 3.41Å; L163-H166 PolarHBondContact O-N 3.21Å; L163-A169 HydrophobicContact CD2-CB 3.92Å; L163-F171 HydrophobicContact CD1-CB 4.27Å
164A94.4Very high96.7Very high90 Ų9052.7 Ų52.774%0.74431%0.309SS*.THydrogen-bonded Turntrans-57.1-25.6-17200000115.3R160 A161R160-A164 PolarHBondContact O-N 2.92Å; A161-A164 PolarHBondContact O-N 3.49Å
165G87.6Confident96.6Very high76 Ų7652.2 Ų52.278%0.78431%0.308SS*.THydrogen-bonded Turntrans-1073.6176.700000114.7L163 P167L163-G165 PolarHBondContact O-N 3.46Å; G165-P167 WeakPolarHBondContact O-CD 3.31Å
166H92Very high96.6Very high59 Ų5955.8 Ų55.827%0.27333%0.331SS..  trans-86.9113.5-172.7-166.6-71.9000110.6N125 L163 R168 A169N125-H166 PolarHBondContact ND2-CE1 3.38Å; N125-H166 PolarHBondContact ND2-NE2 3.39Å; L163-H166 WeakPolarHBondContact O-CB 3.41Å; L163-H166 PolarHBondContact O-N 3.21Å; H166-R168 PolarHBondContact ND1-N 3.43Å; H166-R168 PolarHBondContact O-N 3.18Å; H166-A169 HydrophobicContact CB-CB 3.89Å; H166-A169 WeakPolarHBondContact ND1-CB 3.32Å; H166-A169 PolarHBondContact ND1-N 3.36Å; H166-A169 PolarHBondContact O-N 3.19Å
167P88.7Confident96.6Very high101 Ų10157.2 Ų57.266%0.65635%0.35SS*.THydrogen-bonded Turntrans-65.4-22.7-166.425.3-35.4000114.4G165G165-P167 WeakPolarHBondContact O-CD 3.31Å
168R93.4Very high96.6Very high110 Ų11052.9 Ų52.942%0.41533%0.33SS..THydrogen-bonded Turntrans-119.910.9-179.5-66-167.1-69-84.81.9114P129 R132 V133 H166P129-R168 PolarHBondContact O-NE 3.43Å; R132-R168 CarbonylContact C-O 3.53Å; R132-R168 VanDerWaalsContact CA-O 3.3Å; R132-R168 WeakPolarHBondContact CA-O 3.41Å; V133-R168 PolarHBondContact N-O 3.28Å; H166-R168 PolarHBondContact ND1-N 3.43Å; H166-R168 PolarHBondContact O-N 3.18Å
169A97.6Very high96.6Very high4 Ų452.5 Ų52.53%0.03333%0.33CS..EExtended strand (participates in β ladder)trans-121.1133.4176.300000110V121 V133 L163 H166V121-A169 HydrophobicContact CG1-CB 4.1Å; V133-A169 HydrophobicContact CB-CB 4.37Å; V133-A169 CarbonylContact O-C 3.53Å; V133-A169 VanDerWaalsContact O-CA 3.28Å; V133-A169 WeakPolarHBondContact O-CA 3.44Å; L163-A169 HydrophobicContact CD2-CB 3.92Å; H166-A169 HydrophobicContact CB-CB 3.89Å; H166-A169 WeakPolarHBondContact ND1-CB 3.32Å; H166-A169 PolarHBondContact ND1-N 3.36Å; H166-A169 PolarHBondContact O-N 3.19Å
170H98.2Very high96.6Very high45 Ų4556 Ų5621%0.20835%0.345CS..EExtended strand (participates in β ladder)trans-126123.5-171.3-55-71.5000108.8V133 V134 V135 L215V133-H170 PolarHBondContact O-N 3.49Å; V134-H170 CarbonylContact C-O 3.6Å; V134-H170 WeakPolarHBondContact CA-O 3.2Å; V134-H170 HydrophobicContact CG2-CB 4.37Å; V135-H170 PolarHBondContact N-O 2.74Å; H170-L215 WeakPolarHBondContact NE2-CD2 3.35Å
171F98.7Very high96.5Very high41 Ų4157.8 Ų57.818%0.1837%0.373CS..EExtended strand (participates in β ladder)trans-86.3129.3168.6-176.8-98.5000109.6V135 N156 V159 R160 L163 D173V135-F171 WeakPolarHBondContact O-CA 3.49Å; N156-F171 HydrophobicContact CB-CZ 3.85Å; V159-F171 HydrophobicContact CB-CD2 4.33Å; V159-F171 HydrophobicContact CB-CE2 4.25Å; V159-F171 HydrophobicContact CG1-CD2 3.66Å; V159-F171 HydrophobicContact CG1-CE2 3.96Å; R160-F171 HydrophobicContact CB-CD1 3.83Å; R160-F171 HydrophobicContact CB-CE1 4.12Å; R160-F171 HydrophobicContact CB-CG 4.05Å; R160-F171 HydrophobicContact CG-CD1 3.9Å; R160-F171 HydrophobicContact CG-CE1 4.45Å; R160-F171 HydrophobicContact CG-CG 4.37Å; L163-F171 HydrophobicContact CD1-CB 4.27Å; F171-D173 HydrophobicContact CE1-CB 4.03Å
172L98.6Very high96.5Very high26 Ų2659.5 Ų59.514%0.13637%0.373CS..EExtended strand (participates in β ladder)trans-117.8113.1173.7177.965.2000109.8V134 V135 L136 G137 A174 L208 L211V134-L172 HydrophobicContact CG1-CB 4.18Å; V135-L172 PolarHBondContact O-N 3.21Å; L136-L172 CarbonylContact C-O 3.52Å; L136-L172 WeakPolarHBondContact CA-O 3.47Å; L136-L172 HydrophobicContact CG-CD2 4.44Å; G137-L172 PolarHBondContact N-O 3.06Å; L172-A174 HydrophobicContact CD2-CB 4.35Å; L172-A174 HydrophobicContact CG-CB 4.28Å; L172-A174 PolarHBondContact O-N 3.36Å; L172-L208 HydrophobicContact CD2-CB 3.94Å; L172-L208 HydrophobicContact CD2-CD1 3.79Å; L172-L208 HydrophobicContact CD2-CG 4.47Å; L172-L211 HydrophobicContact CB-CD2 3.97Å; L172-L211 HydrophobicContact CD1-CD2 4.26Å; L172-L211 HydrophobicContact CD2-CD2 4.11Å; L172-L211 HydrophobicContact CG-CD2 4.33Å
173D98.5Very high96.6Very high78 Ų7858 Ų5842%0.41736%0.362SS..  trans-80.8109.8163.5-157-24.6000108.5R160 F171 D175R160-D173 IonicContact NH2-OD2 3.77Å; R160-D173 PolarHBondContact NH2-OD2 2.82Å; F171-D173 HydrophobicContact CE1-CB 4.03Å; D173-D175 PolarHBondContact OD1-N 3.03Å
174A98.2Very high96.7Very high5 Ų558.7 Ų58.74%0.04137%0.367CS..  trans-105.37.7-174.800000112.8L136 L172 P176 V204L136-A174 HydrophobicContact CD2-CB 4.37Å; L172-A174 HydrophobicContact CD2-CB 4.35Å; L172-A174 HydrophobicContact CG-CB 4.28Å; L172-A174 PolarHBondContact O-N 3.36Å; A174-P176 VanDerWaalsContact O-CD 3.31Å; A174-P176 WeakPolarHBondContact O-CD 3.35Å; A174-V204 HydrophobicContact CB-CG1 3.99Å; A174-V204 WeakPolarHBondContact O-CG2 3.4Å
175D98.4Very high96.9Very high52 Ų5254.6 Ų54.628%0.27833%0.332SS..  trans-73.4115.1175.4-174.2-5000110.2L139 P140 D173 G177 F178L139-D175 HydrophobicContact CD2-CB 3.89Å; P140-D175 WeakPolarHBondContact CD-OD2 3.38Å; P140-D175 WeakPolarHBondContact CG-OD2 3.3Å; D173-D175 PolarHBondContact OD1-N 3.03Å; D175-G177 PolarHBondContact O-N 3.04Å; D175-G177 WeakPolarHBondContact OD1-CA 3.44Å; D175-G177 PolarHBondContact OD1-N 3.2Å; D175-F178 WeakPolarHBondContact OD1-CD2 3.37Å; D175-F178 PolarHBondContact OD1-N 3.2Å
176P98.1Very high97.4Very high75 Ų7552.3 Ų52.349%0.48730%0.304SS..  trans-77.81.8176.436.6-38.6000113.6A174 F178 P203A174-P176 VanDerWaalsContact O-CD 3.31Å; A174-P176 WeakPolarHBondContact O-CD 3.35Å; P176-F178 VanDerWaalsContact CD-CZ 3.5Å; P176-F178 HydrophobicContact CG-CD1 4.08Å; P176-F178 HydrophobicContact CG-CD2 4.38Å; P176-F178 HydrophobicContact CG-CE1 3.72Å; P176-F178 HydrophobicContact CG-CE2 4.06Å; P176-F178 HydrophobicContact CG-CG 4.39Å; P176-F178 HydrophobicContact CG-CZ 3.71Å; P176-P203 HydrophobicContact CB-CB 3.83Å; P176-P203 HydrophobicContact CB-CG 4.08Å; P176-P203 HydrophobicContact CG-CB 3.98Å; P176-P203 HydrophobicContact CG-CG 3.68Å
177G98.3Very high97.7Very high46 Ų4654.3 Ų54.347%0.47431%0.313SS..  trans103.349.3-170.900000112.4D175 V179D175-G177 PolarHBondContact O-N 3.04Å; D175-G177 WeakPolarHBondContact OD1-CA 3.44Å; D175-G177 PolarHBondContact OD1-N 3.2Å; G177-V179 PolarHBondContact O-N 3.23Å
178F98.8Very high98.2Very high3 Ų355 Ų551%0.01331%0.308CS..  trans-62.3-25.8178.1-70.5-54.2000113.5L139 P140 D175 P176 D189 M190 L196 G200 V204L139-F178 HydrophobicContact CD1-CD2 4.48Å; L139-F178 HydrophobicContact CD1-CE2 3.91Å; L139-F178 HydrophobicContact CD2-CD2 4.16Å; L139-F178 HydrophobicContact CD2-CE2 3.92Å; P140-F178 HydrophobicContact CG-CB 4.05Å; D175-F178 WeakPolarHBondContact OD1-CD2 3.37Å; D175-F178 PolarHBondContact OD1-N 3.2Å; P176-F178 VanDerWaalsContact CD-CZ 3.5Å; P176-F178 HydrophobicContact CG-CD1 4.08Å; P176-F178 HydrophobicContact CG-CD2 4.38Å; P176-F178 HydrophobicContact CG-CE1 3.72Å; P176-F178 HydrophobicContact CG-CE2 4.06Å; P176-F178 HydrophobicContact CG-CG 4.39Å; P176-F178 HydrophobicContact CG-CZ 3.71Å; F178-D189 HydrophobicContact CD1-CB 3.72Å; F178-D189 HydrophobicContact CE1-CB 3.94Å; F178-M190 HydrophobicContact CB-CE 4.02Å; F178-M190 HydrophobicContact CD1-CE 4.37Å; F178-M190 HydrophobicContact CD2-CE 3.45Å; F178-M190 VanDerWaalsContact CD2-CE 3.45Å; F178-M190 HydrophobicContact CE2-CE 3.94Å; F178-M190 HydrophobicContact CG-CE 3.71Å; F178-L196 HydrophobicContact CE1-CD2 3.92Å; F178-L196 HydrophobicContact CE2-CD2 3.69Å; F178-L196 HydrophobicContact CZ-CD2 3.35Å; F178-G200 WeakPolarHBondContact CZ-O 3.47Å; F178-V204 HydrophobicContact CE2-CG2 3.91Å; F178-V204 HydrophobicContact CZ-CG2 3.76Å
179V98.7Very high98.4Very high55 Ų5551.1 Ų51.133%0.33330%0.295SS..BIsolated β-bridgetrans-87112.2174.1-178.10000109.1P140 G177 T184 I185P140-V179 HydrophobicContact CB-CG2 3.64Å; P140-V179 HydrophobicContact CG-CG2 3.8Å; G177-V179 PolarHBondContact O-N 3.23Å; V179-T184 WeakPolarHBondContact CA-O 3.38Å; V179-I185 HydrophobicContact CG2-CD1 4.18Å; V179-I185 HydrophobicContact CG2-CG1 3.96Å
180H98.4Very high98.5Very high77 Ų7750.9 Ų50.936%0.35629%0.293SS..  trans-70.9169.5176.7-55.9-44.2000112.1D182 G183 T184 S186H180-D182 WeakPolarHBondContact CB-OD1 3.48Å; H180-D182 PolarHBondContact O-N 3.02Å; H180-D182 VanDerWaalsContact O-N 3.15Å; H180-G183 WeakPolarHBondContact O-CA 3.19Å; H180-G183 PolarHBondContact O-N 2.76Å; H180-T184 PolarHBondContact N-O 3.02Å; H180-S186 WeakPolarHBondContact NE2-CB 3.45Å
181S98Very high98.5Very high138 Ų13854.7 Ų54.797%0.96531%0.307SS*.THydrogen-bonded Turntrans-60.9-23.2-179.453.90000114.2
182D98.2Very high98.5Very high110 Ų11056 Ų5659%0.58832%0.316SS*.THydrogen-bonded Turntrans-84.12.7173.770.1-5.1000113.3H180 T184H180-D182 WeakPolarHBondContact CB-OD1 3.48Å; H180-D182 PolarHBondContact O-N 3.02Å; H180-D182 VanDerWaalsContact O-N 3.15Å; D182-T184 VanDerWaalsContact C-N 3.3Å; D182-T184 VanDerWaalsContact CG-OG1 3.28Å; D182-T184 PolarHBondContact O-N 3.02Å; D182-T184 WeakPolarHBondContact OD1-CB 3.47Å; D182-T184 WeakPolarHBondContact OD1-CG2 3.44Å; D182-T184 PolarHBondContact OD1-N 3.4Å; D182-T184 PolarHBondContact OD1-OG1 3.25Å; D182-T184 PolarHBondContact OD2-OG1 2.94Å
183G98.4Very high98.5Very high14 Ų1457.9 Ų57.914%0.14432%0.321CS..SBendtrans80.43-178.100000114.4P145 R149 H180P145-G183 WeakPolarHBondContact CD-O 3.46Å; R149-G183 PolarHBondContact NH1-O 3.29Å; R149-G183 PolarHBondContact NH2-O 3.19Å; H180-G183 WeakPolarHBondContact O-CA 3.19Å; H180-G183 PolarHBondContact O-N 2.76Å
184T98.7Very high98.5Very high28 Ų2855.4 Ų55.417%0.17231%0.308CS..  trans-86.8155.3-179.968.60000112.9Q143 V179 H180 D182Q143-T184 CarbonylContact O-C 3.42Å; Q143-T184 VanDerWaalsContact O-CA 3.22Å; Q143-T184 WeakPolarHBondContact O-CA 3.44Å; V179-T184 WeakPolarHBondContact CA-O 3.38Å; H180-T184 PolarHBondContact N-O 3.02Å; D182-T184 VanDerWaalsContact C-N 3.3Å; D182-T184 VanDerWaalsContact CG-OG1 3.28Å; D182-T184 PolarHBondContact O-N 3.02Å; D182-T184 WeakPolarHBondContact OD1-CB 3.47Å; D182-T184 WeakPolarHBondContact OD1-CG2 3.44Å; D182-T184 PolarHBondContact OD1-N 3.4Å; D182-T184 PolarHBondContact OD1-OG1 3.25Å; D182-T184 PolarHBondContact OD2-OG1 2.94Å
185I98.9Very high98.5Very high3 Ų356.8 Ų56.82%0.01531%0.314CS..BIsolated β-bridgetrans-109.5128.8163.3-67.8169.4000107.7P140 G142 Q143 V179 M190P140-I185 HydrophobicContact CB-CD1 3.96Å; P140-I185 HydrophobicContact CG-CD1 4.16Å; G142-I185 WeakPolarHBondContact O-CD1 3.36Å; Q143-I185 PolarHBondContact O-N 2.7Å; V179-I185 HydrophobicContact CG2-CD1 4.18Å; V179-I185 HydrophobicContact CG2-CG1 3.96Å; I185-M190 HydrophobicContact CD1-SD 4.18Å; I185-M190 HydrophobicContact CG2-CB 4.03Å; I185-M190 HydrophobicContact CG2-CG 4.1Å; I185-M190 HydrophobicContact CG2-SD 3.84Å
186S98.7Very high98.5Very high28 Ų2854.5 Ų54.520%0.19630%0.301CS..  trans-69.2135.7176.6179.40000111.9H180 H188 D189 M190H180-S186 WeakPolarHBondContact NE2-CB 3.45Å; S186-H188 PolarHBondContact O-N 2.77Å; S186-H188 WeakPolarHBondContact OG-CB 3.22Å; S186-H188 PolarHBondContact OG-N 3.37Å; S186-H188 VanDerWaalsContact OG-N 3.13Å; S186-D189 PolarHBondContact O-N 3.05Å; S186-M190 PolarHBondContact O-N 3.31Å
187H98.4Very high98.5Very high102 Ų10252 Ų5247%0.47229%0.286SS..THydrogen-bonded Turntrans-65.6-15.517174.6-79.4000112.7D189 M190 Y191 Y193H187-D189 VanDerWaalsContact C-N 3.31Å; H187-M190 WeakPolarHBondContact CA-O 3.27Å; H187-M190 CarbonylContact O-C 3.52Å; H187-Y191 VanDerWaalsContact O-CA 3.27Å; H187-Y191 WeakPolarHBondContact O-CA 3.48Å; H187-Y191 PolarHBondContact O-N 3.24Å; H187-Y193 HydrophobicContact CB-CE1 4.02Å
188H98.5Very high98.5Very high115 Ų11557.7 Ų57.753%0.53229%0.293SS..THydrogen-bonded Turntrans-70.7-28.2170.9-64.4-60000112.3S186 S197 L199S186-H188 PolarHBondContact O-N 2.77Å; S186-H188 WeakPolarHBondContact OG-CB 3.22Å; S186-H188 PolarHBondContact OG-N 3.37Å; S186-H188 VanDerWaalsContact OG-N 3.13Å; H188-S197 VanDerWaalsContact O-CB 3.27Å; H188-S197 WeakPolarHBondContact O-CB 3.29Å; H188-S197 PolarHBondContact O-OG 3.27Å; H188-L199 HydrophobicContact CB-CD2 4.19Å
189D98.6Very high98.4Very high28 Ų2862.3 Ų62.315%0.1532%0.317CS..THydrogen-bonded Turntrans-90.5-42.9176.4-65.1-45.4000111.4F178 S186 H187 L196 S197F178-D189 HydrophobicContact CD1-CB 3.72Å; F178-D189 HydrophobicContact CE1-CB 3.94Å; S186-D189 PolarHBondContact O-N 3.05Å; H187-D189 VanDerWaalsContact C-N 3.31Å; D189-L196 CarbonylContact O-C 3.5Å; D189-L196 WeakPolarHBondContact O-CA 3.48Å; D189-S197 PolarHBondContact O-N 3.22Å; D189-S197 PolarHBondContact O-OG 2.93Å
190M98.7Very high98.4Very high0 Ų059.7 Ų59.70%030%0.301CS..BIsolated β-bridgetrans-129.9102.3176.8-64.9178.2-171.700110.9L139 P140 F178 I185 S186 H187 D192 Y193 H195 L196L139-M190 HydrophobicContact CB-CE 4.15Å; L139-M190 HydrophobicContact CD1-CE 4.19Å; P140-M190 HydrophobicContact CG-CE 4.49Å; P140-M190 WeakPolarHBondContact O-CE 3.29Å; F178-M190 HydrophobicContact CB-CE 4.02Å; F178-M190 HydrophobicContact CD1-CE 4.37Å; F178-M190 HydrophobicContact CD2-CE 3.45Å; F178-M190 VanDerWaalsContact CD2-CE 3.45Å; F178-M190 HydrophobicContact CE2-CE 3.94Å; F178-M190 HydrophobicContact CG-CE 3.71Å; I185-M190 HydrophobicContact CD1-SD 4.18Å; I185-M190 HydrophobicContact CG2-CB 4.03Å; I185-M190 HydrophobicContact CG2-CG 4.1Å; I185-M190 HydrophobicContact CG2-SD 3.84Å; S186-M190 PolarHBondContact O-N 3.31Å; H187-M190 WeakPolarHBondContact CA-O 3.27Å; H187-M190 CarbonylContact O-C 3.52Å; M190-D192 PolarHBondContact O-N 3.04Å; M190-D192 VanDerWaalsContact O-N 3.1Å; M190-Y193 PolarHBondContact O-N 3.26Å; M190-H195 CarbonylContact C-O 3.48Å; M190-H195 WeakPolarHBondContact CA-O 3.43Å; M190-L196 HydrophobicContact CE-CD2 3.85Å; M190-L196 HydrophobicContact CG-CD2 3.88Å
191Y98.3Very high98.4Very high124 Ų12456.1 Ų56.149%0.48629%0.285SS..THydrogen-bonded Turntrans-64.5-22.5-166.557.8-101.2000114.9H187 H195 L196H187-Y191 VanDerWaalsContact O-CA 3.27Å; H187-Y191 WeakPolarHBondContact O-CA 3.48Å; H187-Y191 PolarHBondContact O-N 3.24Å; Y191-H195 WeakPolarHBondContact CD1-O 3.32Å; Y191-H195 HydrophobicContact CE1-CB 3.63Å; Y191-H195 HydrophobicContact CE2-CB 3.98Å; Y191-H195 PolarHBondContact N-O 3.36Å; Y191-H195 WeakPolarHBondContact OH-CB 3.45Å; Y191-L196 WeakPolarHBondContact CE1-O 3.46Å
192D98.7Very high98.4Very high69 Ų6951.8 Ų51.837%0.36925%0.252SS..THydrogen-bonded Turntrans-12420.5172.9640.3000111.9M190 L194 H195M190-D192 PolarHBondContact O-N 3.04Å; M190-D192 VanDerWaalsContact O-N 3.1Å; D192-L194 PolarHBondContact O-N 2.8Å; D192-L194 PolarHBondContact OD1-N 3.37Å; D192-H195 IonicContact OD1-CG 3.84Å; D192-H195 PolarHBondContact OD1-N 2.79Å; D192-H195 IonicContact OD1-ND1 2.69Å; D192-H195 PolarHBondContact OD1-ND1 2.81Å; D192-H195 IonicContact OD2-CE1 3.99Å; D192-H195 IonicContact OD2-CG 3.22Å; D192-H195 IonicContact OD2-ND1 3.74Å; D192-H195 PolarHBondContact OD2-ND1 2.99Å
193Y98.8Very high98.4Very high66 Ų6648.7 Ų48.726%0.25924%0.238SC..SBendtrans59.921.5-176.2-40-75.9000114.2R141 G142 Q143 H187 M190R141-Y193 CarbonylContact C-O 3.53Å; R141-Y193 VanDerWaalsContact CA-O 3.29Å; R141-Y193 WeakPolarHBondContact CA-O 3.46Å; R141-Y193 WeakPolarHBondContact CB-O 3.38Å; G142-Y193 PolarHBondContact N-O 3.03Å; Q143-Y193 HydrophobicContact CB-CD1 3.68Å; Q143-Y193 HydrophobicContact CB-CD2 4.09Å; Q143-Y193 HydrophobicContact CB-CE1 3.73Å; Q143-Y193 HydrophobicContact CB-CE2 4.13Å; Q143-Y193 HydrophobicContact CB-CG 3.86Å; Q143-Y193 HydrophobicContact CG-CD1 4.01Å; Q143-Y193 HydrophobicContact CG-CE1 3.61Å; H187-Y193 HydrophobicContact CB-CE1 4.02Å; M190-Y193 PolarHBondContact O-N 3.26Å
194L98.8Very high98.4Very high26 Ų2648 Ų4814%0.13623%0.232CC..SBendtrans-136.8-56.9174.3170.659.6000111T103 R141 D192T103-L194 HydrophobicContact CG2-CD1 4.32Å; R141-L194 HydrophobicContact CB-CD1 4.25Å; R141-L194 VanDerWaalsContact CZ-CD1 3.49Å; D192-L194 PolarHBondContact O-N 2.8Å; D192-L194 PolarHBondContact OD1-N 3.37Å
195H98.7Very high98.4Very high34 Ų3446.7 Ų46.716%0.15722%0.223CC..SBendtrans-87.7132.5-177.3-60.2108.6000110.2S47 L51 M190 Y191 D192S47-H195 WeakPolarHBondContact CB-NE2 3.16Å; S47-H195 PolarHBondContact OG-CD2 2.81Å; S47-H195 VanDerWaalsContact OG-CD2 3.31Å; S47-H195 PolarHBondContact OG-NE2 2.78Å; L51-H195 HydrophobicContact CD1-CB 4.2Å; M190-H195 CarbonylContact C-O 3.48Å; M190-H195 WeakPolarHBondContact CA-O 3.43Å; Y191-H195 WeakPolarHBondContact CD1-O 3.32Å; Y191-H195 HydrophobicContact CE1-CB 3.63Å; Y191-H195 HydrophobicContact CE2-CB 3.98Å; Y191-H195 PolarHBondContact N-O 3.36Å; Y191-H195 WeakPolarHBondContact OH-CB 3.45Å; D192-H195 IonicContact OD1-CG 3.84Å; D192-H195 PolarHBondContact OD1-N 2.79Å; D192-H195 IonicContact OD1-ND1 2.69Å; D192-H195 PolarHBondContact OD1-ND1 2.81Å; D192-H195 IonicContact OD2-CE1 3.99Å; D192-H195 IonicContact OD2-CG 3.22Å; D192-H195 IonicContact OD2-ND1 3.74Å; D192-H195 PolarHBondContact OD2-ND1 2.99Å
196L98.6Very high98.3Very high4 Ų454 Ų542%0.02125%0.251CS..BIsolated β-bridgetrans-68.2140.5179.4-65.6168.1000111.3L48 W100 L139 F178 D189 M190 Y191 Y201 V204L48-L196 HydrophobicContact CD2-CG 4.39Å; W100-L196 HydrophobicContact CH2-CD1 4.02Å; L139-L196 HydrophobicContact CD1-CD1 3.78Å; L139-L196 HydrophobicContact CD1-CD2 4.04Å; L139-L196 HydrophobicContact CD1-CG 4.09Å; F178-L196 HydrophobicContact CE1-CD2 3.92Å; F178-L196 HydrophobicContact CE2-CD2 3.69Å; F178-L196 HydrophobicContact CZ-CD2 3.35Å; D189-L196 CarbonylContact O-C 3.5Å; D189-L196 WeakPolarHBondContact O-CA 3.48Å; M190-L196 HydrophobicContact CE-CD2 3.85Å; M190-L196 HydrophobicContact CG-CD2 3.88Å; Y191-L196 WeakPolarHBondContact CE1-O 3.46Å; L196-Y201 HydrophobicContact CB-CD1 4.2Å; L196-Y201 HydrophobicContact CB-CD2 3.61Å; L196-Y201 HydrophobicContact CB-CE1 4.17Å; L196-Y201 HydrophobicContact CB-CE2 3.59Å; L196-Y201 HydrophobicContact CB-CG 3.91Å; L196-Y201 HydrophobicContact CD1-CD1 3.68Å; L196-Y201 HydrophobicContact CD1-CE1 3.69Å; L196-Y201 HydrophobicContact CD1-CG 4.13Å; L196-Y201 VanDerWaalsContact O-CE2 3.29Å; L196-Y201 WeakPolarHBondContact O-CE2 3.12Å; L196-V204 HydrophobicContact CD1-CB 4.47Å; L196-V204 HydrophobicContact CD1-CG2 3.96Å
197S98.1Very high98.3Very high23 Ų2354.6 Ų54.616%0.16126%0.257CS..  trans-75.7176.6164.4810000110.8H188 D189 L199 G200 Y201H188-S197 VanDerWaalsContact O-CB 3.27Å; H188-S197 WeakPolarHBondContact O-CB 3.29Å; H188-S197 PolarHBondContact O-OG 3.27Å; D189-S197 PolarHBondContact O-N 3.22Å; D189-S197 PolarHBondContact O-OG 2.93Å; S197-L199 PolarHBondContact O-N 3.1Å; S197-L199 WeakPolarHBondContact OG-CB 3.45Å; S197-L199 PolarHBondContact OG-N 3.45Å; S197-G200 PolarHBondContact O-N 3.48Å; S197-G200 VanDerWaalsContact O-N 3.14Å; S197-G200 PolarHBondContact OG-N 2.72Å; S197-G200 VanDerWaalsContact OG-N 3.11Å; S197-Y201 VanDerWaalsContact O-CD2 3.31Å; S197-Y201 WeakPolarHBondContact O-CD2 3.49Å; S197-Y201 PolarHBondContact O-N 2.75Å
198R97.1Very high98.3Very high164 Ų16449.8 Ų49.862%0.61924%0.235SC*.Hα-helixtrans-55.2-37.6168.6-175.3178.4-178-121.19112.2E56 T202E56-R198 IonicContact OE2-CZ 2.93Å; E56-R198 IonicContact OE2-NE 2.67Å; E56-R198 IonicContact OE2-NH2 2.67Å; E56-R198 PolarHBondContact OE2-NH2 2.92Å; R198-T202 PolarHBondContact O-N 3.11Å; R198-T202 PolarHBondContact O-OG1 2.87Å
199L97.3Very high98.3Very high101 Ų10146.1 Ų46.153%0.52922%0.218SC..Hα-helixtrans-65.8-47.8176.6179.664.5000110.1H188 S197 Y201 T202 P203H188-L199 HydrophobicContact CB-CD2 4.19Å; S197-L199 PolarHBondContact O-N 3.1Å; S197-L199 WeakPolarHBondContact OG-CB 3.45Å; S197-L199 PolarHBondContact OG-N 3.45Å; L199-Y201 PolarHBondContact O-N 3.19Å; L199-T202 WeakPolarHBondContact O-CB 3.25Å; L199-T202 PolarHBondContact O-N 3.2Å; L199-P203 WeakPolarHBondContact O-CD 3.49Å
200G98.3Very high98.3Very high0 Ų048 Ų480%023%0.233CC..Hα-helixtrans-64.3-38.1179.400000113.8F178 S197 T202 P203F178-G200 WeakPolarHBondContact CZ-O 3.47Å; S197-G200 PolarHBondContact O-N 3.48Å; S197-G200 VanDerWaalsContact O-N 3.14Å; S197-G200 PolarHBondContact OG-N 2.72Å; S197-G200 VanDerWaalsContact OG-N 3.11Å; G200-T202 VanDerWaalsContact C-N 3.28Å; G200-T202 PolarHBondContact O-N 2.88Å; G200-P203 WeakPolarHBondContact O-CD 3.27Å
201Y98.6Very high98.3Very high2 Ų248.6 Ų48.61%0.00824%0.236CC..Hα-helixtrans-66.6-28.1176.6-87.3-64.7000113.4L48 L51 M52 C55 W100 L196 S197 L199 V204 C205L48-Y201 WeakPolarHBondContact O-CE1 3.4Å; L48-Y201 PolarHBondContact O-OH 3.24Å; L48-Y201 VanDerWaalsContact O-OH 3.07Å; L51-Y201 HydrophobicContact CB-CE2 4.37Å; L51-Y201 WeakPolarHBondContact CB-OH 3.43Å; M52-Y201 HydrophobicContact CB-CD1 4.29Å; M52-Y201 HydrophobicContact CB-CE1 3.83Å; M52-Y201 HydrophobicContact CE-CD1 4.48Å; M52-Y201 HydrophobicContact CE-CE1 4.32Å; M52-Y201 HydrophobicContact CG-CD1 4.16Å; M52-Y201 HydrophobicContact CG-CE1 4.18Å; C55-Y201 WeakPolarHBondContact SG-CD2 3.42Å; W100-Y201 HydrophobicContact CZ3-CE1 4.38Å; L196-Y201 HydrophobicContact CB-CD1 4.2Å; L196-Y201 HydrophobicContact CB-CD2 3.61Å; L196-Y201 HydrophobicContact CB-CE1 4.17Å; L196-Y201 HydrophobicContact CB-CE2 3.59Å; L196-Y201 HydrophobicContact CB-CG 3.91Å; L196-Y201 HydrophobicContact CD1-CD1 3.68Å; L196-Y201 HydrophobicContact CD1-CE1 3.69Å; L196-Y201 HydrophobicContact CD1-CG 4.13Å; L196-Y201 VanDerWaalsContact O-CE2 3.29Å; L196-Y201 WeakPolarHBondContact O-CE2 3.12Å; S197-Y201 VanDerWaalsContact O-CD2 3.31Å; S197-Y201 WeakPolarHBondContact O-CD2 3.49Å; S197-Y201 PolarHBondContact O-N 2.75Å; L199-Y201 PolarHBondContact O-N 3.19Å; Y201-V204 PolarHBondContact O-N 3.22Å; Y201-C205 VanDerWaalsContact O-CB 3.29Å; Y201-C205 WeakPolarHBondContact O-CB 3.29Å; Y201-C205 PolarHBondContact O-N 2.7Å; Y201-C205 PolarHBondContact O-SG 3.33Å
202T97.7Very high98.3Very high46 Ų4642.7 Ų42.728%0.28221%0.213SC..Hα-helixtrans-56.8-56.9-174-64.30000113.7I57 R198 L199 G200 R206I57-T202 HydrophobicContact CD1-CG2 4.39Å; R198-T202 PolarHBondContact O-N 3.11Å; R198-T202 PolarHBondContact O-OG1 2.87Å; L199-T202 WeakPolarHBondContact O-CB 3.25Å; L199-T202 PolarHBondContact O-N 3.2Å; G200-T202 VanDerWaalsContact C-N 3.28Å; G200-T202 PolarHBondContact O-N 2.88Å; T202-R206 WeakPolarHBondContact O-CB 3.19Å; T202-R206 VanDerWaalsContact O-CG 3.3Å; T202-R206 WeakPolarHBondContact O-CG 3.26Å; T202-R206 PolarHBondContact O-N 3.22Å; T202-R206 VanDerWaalsContact O-N 3.09Å
203P98Very high98.3Very high46 Ų4643.3 Ų43.330%0.29922%0.216SC..Hα-helixtrans-65.9-39.8178.625.1-34.3000112.8P176 L199 G200 C205 R206 A207P176-P203 HydrophobicContact CB-CB 3.83Å; P176-P203 HydrophobicContact CB-CG 4.08Å; P176-P203 HydrophobicContact CG-CB 3.98Å; P176-P203 HydrophobicContact CG-CG 3.68Å; L199-P203 WeakPolarHBondContact O-CD 3.49Å; G200-P203 WeakPolarHBondContact O-CD 3.27Å; P203-C205 PolarHBondContact O-N 3.06Å; P203-R206 PolarHBondContact O-N 3.17Å; P203-A207 PolarHBondContact O-N 3.12Å
204V98.6Very high98.2Very high0 Ų047 Ų470%023%0.229CC..Hα-helixtrans-57.6-50.4177.9172.90000110.6W100 A174 F178 L196 Y201 R206 A207 L208W100-V204 HydrophobicContact CH2-CG1 3.82Å; W100-V204 HydrophobicContact CZ2-CG1 4.45Å; W100-V204 HydrophobicContact CZ3-CG1 4.38Å; A174-V204 HydrophobicContact CB-CG1 3.99Å; A174-V204 WeakPolarHBondContact O-CG2 3.4Å; F178-V204 HydrophobicContact CE2-CG2 3.91Å; F178-V204 HydrophobicContact CZ-CG2 3.76Å; L196-V204 HydrophobicContact CD1-CB 4.47Å; L196-V204 HydrophobicContact CD1-CG2 3.96Å; Y201-V204 PolarHBondContact O-N 3.22Å; V204-R206 PolarHBondContact O-N 3.41Å; V204-A207 PolarHBondContact O-N 3.17Å; V204-L208 WeakPolarHBondContact O-CB 3.33Å; V204-L208 PolarHBondContact O-N 3.37Å
205C98.6Very high98.1Very high0 Ų046 Ų460%022%0.224CC..Hα-helixtrans-68.5-35.8-178.5-640000111.9I57 L61 F62 Y201 P203 L208 H209I57-C205 HydrophobicContact CD1-CB 3.6Å; I57-C205 HydrophobicContact CG1-CB 4.05Å; I57-C205 HydrophobicContact CG2-CB 4.35Å; L61-C205 HydrophobicContact CD1-CB 4.1Å; F62-C205 HydrophobicContact CE2-CB 3.82Å; F62-C205 HydrophobicContact CZ-CB 3.85Å; Y201-C205 VanDerWaalsContact O-CB 3.29Å; Y201-C205 WeakPolarHBondContact O-CB 3.29Å; Y201-C205 PolarHBondContact O-N 2.7Å; Y201-C205 PolarHBondContact O-SG 3.33Å; P203-C205 PolarHBondContact O-N 3.06Å; C205-L208 PolarHBondContact O-N 3.39Å; C205-H209 WeakPolarHBondContact O-CB 3.46Å; C205-H209 PolarHBondContact O-N 3.14Å
206R98.1Very high98Very high157 Ų15745 Ų4559%0.59222%0.22SC*.Hα-helixtrans-64.1-44175.6-76176.2-177.9-111.3-4.1112L61 T202 P203 V204 S210L61-R206 HydrophobicContact CD1-CG 4.44Å; T202-R206 WeakPolarHBondContact O-CB 3.19Å; T202-R206 VanDerWaalsContact O-CG 3.3Å; T202-R206 WeakPolarHBondContact O-CG 3.26Å; T202-R206 PolarHBondContact O-N 3.22Å; T202-R206 VanDerWaalsContact O-N 3.09Å; P203-R206 PolarHBondContact O-N 3.17Å; V204-R206 PolarHBondContact O-N 3.41Å; R206-S210 WeakPolarHBondContact O-CB 3.36Å; R206-S210 PolarHBondContact O-N 3.38Å
207A98.5Very high97.8Very high39 Ų3946.4 Ų46.432%0.32223%0.232SC..Hα-helixtrans-61.3-46.9175.600000111.3P203 V204 S210 L211P203-A207 PolarHBondContact O-N 3.12Å; V204-A207 PolarHBondContact O-N 3.17Å; A207-S210 PolarHBondContact O-N 2.86Å; A207-L211 PolarHBondContact O-N 3.46Å
208L98.7Very high97.4Very high1 Ų149.5 Ų49.51%0.00524%0.244CC..Hα-helixtrans-63.3-49.9177.7179.255.4000112.4F43 M52 F62 V98 V134 L136 L172 V204 C205 S210 L211 L212F43-L208 HydrophobicContact CD1-CD2 4.46Å; F43-L208 HydrophobicContact CE1-CD2 3.62Å; F43-L208 HydrophobicContact CZ-CD2 4.43Å; M52-L208 HydrophobicContact CE-CD2 4.38Å; F62-L208 HydrophobicContact CE1-CD2 4.36Å; F62-L208 HydrophobicContact CE1-CG 4.22Å; F62-L208 HydrophobicContact CZ-CB 4.38Å; F62-L208 HydrophobicContact CZ-CD2 4.08Å; F62-L208 HydrophobicContact CZ-CG 4.25Å; V98-L208 HydrophobicContact CG1-CD1 4.26Å; V98-L208 HydrophobicContact CG1-CD2 4.17Å; V98-L208 HydrophobicContact CG2-CD1 4.49Å; V134-L208 HydrophobicContact CG1-CD1 4.09Å; L136-L208 HydrophobicContact CD1-CD1 3.94Å; L136-L208 HydrophobicContact CD1-CD2 4.19Å; L136-L208 HydrophobicContact CD2-CD2 4.2Å; L172-L208 HydrophobicContact CD2-CB 3.94Å; L172-L208 HydrophobicContact CD2-CD1 3.79Å; L172-L208 HydrophobicContact CD2-CG 4.47Å; V204-L208 WeakPolarHBondContact O-CB 3.33Å; V204-L208 PolarHBondContact O-N 3.37Å; C205-L208 PolarHBondContact O-N 3.39Å; L208-S210 VanDerWaalsContact C-N 3.31Å; L208-S210 PolarHBondContact O-N 3.23Å; L208-L211 WeakPolarHBondContact O-CB 3.32Å; L208-L211 PolarHBondContact O-N 2.84Å; L208-L211 VanDerWaalsContact O-N 3.09Å; L208-L212 HydrophobicContact CD1-CD1 4.25Å; L208-L212 HydrophobicContact CD1-CD2 4.3Å; L208-L212 HydrophobicContact CD1-CG 4.03Å; L208-L212 HydrophobicContact CG-CD1 4.1Å; L208-L212 HydrophobicContact CG-CG 4.31Å; L208-L212 WeakPolarHBondContact O-CG 3.4Å; L208-L212 PolarHBondContact O-N 3.44Å
209H98.6Very high96.6Very high39 Ų3945.4 Ų45.418%0.18124%0.235CC..Hα-helixtrans-57.7-43179.1179.3-108.5000112L61 F62 C205 L211 L212 L213L61-H209 HydrophobicContact CB-CB 4.27Å; L61-H209 HydrophobicContact CD1-CB 4.08Å; L61-H209 PolarHBondContact O-CD2 2.77Å; L61-H209 PolarHBondContact O-NE2 3.23Å; F62-H209 HydrophobicContact CE1-CB 3.9Å; F62-H209 HydrophobicContact CZ-CB 4.39Å; C205-H209 WeakPolarHBondContact O-CB 3.46Å; C205-H209 PolarHBondContact O-N 3.14Å; H209-L211 VanDerWaalsContact C-N 3.33Å; H209-L211 PolarHBondContact O-N 2.91Å; H209-L212 PolarHBondContact O-N 2.98Å; H209-L213 WeakPolarHBondContact CE1-CD1 3.35Å; H209-L213 WeakPolarHBondContact O-CG 3.49Å; H209-L213 PolarHBondContact O-N 2.67Å
210S98.4Very high95.7Very high66 Ų6645.8 Ų45.846%0.46223%0.234SC..Hα-helixtrans-59.7-41.8175.4-1780000112.5R206 A207 L208 R214R206-S210 WeakPolarHBondContact O-CB 3.36Å; R206-S210 PolarHBondContact O-N 3.38Å; A207-S210 PolarHBondContact O-N 2.86Å; L208-S210 VanDerWaalsContact C-N 3.31Å; L208-S210 PolarHBondContact O-N 3.23Å; S210-R214 WeakPolarHBondContact O-CG 3.42Å; S210-R214 PolarHBondContact O-N 3.36Å
211L98.3Very high94.4Very high13 Ų1349 Ų497%0.06827%0.267CS..Hα-helixtrans-64.8-47.7173.8175.561.6000111.4V134 L172 A207 L208 H209 L213 R214 L215V134-L211 HydrophobicContact CG1-CD2 3.66Å; V134-L211 HydrophobicContact CG2-CD2 4.17Å; L172-L211 HydrophobicContact CB-CD2 3.97Å; L172-L211 HydrophobicContact CD1-CD2 4.26Å; L172-L211 HydrophobicContact CD2-CD2 4.11Å; L172-L211 HydrophobicContact CG-CD2 4.33Å; A207-L211 PolarHBondContact O-N 3.46Å; L208-L211 WeakPolarHBondContact O-CB 3.32Å; L208-L211 PolarHBondContact O-N 2.84Å; L208-L211 VanDerWaalsContact O-N 3.09Å; H209-L211 VanDerWaalsContact C-N 3.33Å; H209-L211 PolarHBondContact O-N 2.91Å; L211-L213 PolarHBondContact O-N 3.46Å; L211-R214 VanDerWaalsContact CD1-NH2 3.27Å; L211-R214 PolarHBondContact O-N 3.24Å; L211-L215 HydrophobicContact CD1-CD1 3.93Å; L211-L215 HydrophobicContact CD1-CD2 4.25Å; L211-L215 HydrophobicContact CD1-CG 3.92Å; L211-L215 HydrophobicContact CG-CD1 3.92Å; L211-L215 HydrophobicContact CG-CG 4.29Å; L211-L215 WeakPolarHBondContact O-CG 3.35Å; L211-L215 PolarHBondContact O-N 3.14Å
212L98.4Very high92.4Very high0 Ų055.6 Ų55.60%030%0.298CS..Hα-helixtrans-58.4-45.6-178.9-66.7179.8000112.1V41 F43 F62 L65 I96 V98 V134 L208 H209 R214 L215 L216V41-L212 HydrophobicContact CG1-CD1 4.39Å; F43-L212 HydrophobicContact CE2-CD1 4.44Å; F43-L212 HydrophobicContact CZ-CD1 3.74Å; F62-L212 HydrophobicContact CD1-CD1 4.06Å; F62-L212 HydrophobicContact CE1-CD1 3.92Å; L65-L212 HydrophobicContact CD1-CB 4.12Å; L65-L212 HydrophobicContact CD1-CD1 3.99Å; I96-L212 HydrophobicContact CB-CD2 4.39Å; I96-L212 HydrophobicContact CD1-CD2 3.81Å; I96-L212 HydrophobicContact CG2-CD2 3.68Å; V98-L212 HydrophobicContact CG2-CD1 4.39Å; V98-L212 HydrophobicContact CG2-CD2 3.81Å; V134-L212 HydrophobicContact CG2-CD2 4.32Å; L208-L212 HydrophobicContact CD1-CD1 4.25Å; L208-L212 HydrophobicContact CD1-CD2 4.3Å; L208-L212 HydrophobicContact CD1-CG 4.03Å; L208-L212 HydrophobicContact CG-CD1 4.1Å; L208-L212 HydrophobicContact CG-CG 4.31Å; L208-L212 WeakPolarHBondContact O-CG 3.4Å; L208-L212 PolarHBondContact O-N 3.44Å; H209-L212 PolarHBondContact O-N 2.98Å; L212-R214 VanDerWaalsContact C-N 3.33Å; L212-R214 PolarHBondContact O-N 3.46Å; L212-L215 PolarHBondContact O-N 3.4Å; L212-L216 WeakPolarHBondContact O-CB 3.5Å; L212-L216 WeakPolarHBondContact O-CG 3.31Å; L212-L216 PolarHBondContact O-N 3.29Å
213L98Very high90Very high83 Ų8355.5 Ų55.544%0.43531%0.306SS..Hα-helixtrans-59.3-42.7176.7-72.7-175.5000112.5L65 H209 L211 L215 L216 A217L65-L213 HydrophobicContact CD2-CD2 3.86Å; H209-L213 WeakPolarHBondContact CE1-CD1 3.35Å; H209-L213 WeakPolarHBondContact O-CG 3.49Å; H209-L213 PolarHBondContact O-N 2.67Å; L211-L213 PolarHBondContact O-N 3.46Å; L213-L215 VanDerWaalsContact C-N 3.34Å; L213-L215 PolarHBondContact O-N 2.81Å; L213-L216 PolarHBondContact O-N 3.33Å; L213-A217 WeakPolarHBondContact O-CB 3.46Å; L213-A217 PolarHBondContact O-N 3.06Å
214R97.3Very high87.5Confident142 Ų14257.5 Ų57.554%0.53633%0.326SS..Hα-helixtrans-62.2-42.3176.4-71.6-173.9-61.4129.5-4.6111.9S210 L211 L212 Q218S210-R214 WeakPolarHBondContact O-CG 3.42Å; S210-R214 PolarHBondContact O-N 3.36Å; L211-R214 VanDerWaalsContact CD1-NH2 3.27Å; L211-R214 PolarHBondContact O-N 3.24Å; L212-R214 VanDerWaalsContact C-N 3.33Å; L212-R214 PolarHBondContact O-N 3.46Å; R214-Q218 VanDerWaalsContact O-CG 3.31Å; R214-Q218 WeakPolarHBondContact O-CG 3.24Å; R214-Q218 PolarHBondContact O-N 3.49Å
215L96.8Very high84.9Confident5 Ų563.2 Ų63.23%0.02636%0.364CS..Hα-helixtrans-69.6-40.8-179.7-64.3179.3000112.1I96 V134 H170 L211 L212 L213 Q218 D219I96-L215 HydrophobicContact CD1-CB 3.58Å; I96-L215 HydrophobicContact CD1-CD1 4.21Å; I96-L215 HydrophobicContact CG1-CB 4.5Å; V134-L215 HydrophobicContact CG2-CD1 3.53Å; H170-L215 WeakPolarHBondContact NE2-CD2 3.35Å; L211-L215 HydrophobicContact CD1-CD1 3.93Å; L211-L215 HydrophobicContact CD1-CD2 4.25Å; L211-L215 HydrophobicContact CD1-CG 3.92Å; L211-L215 HydrophobicContact CG-CD1 3.92Å; L211-L215 HydrophobicContact CG-CG 4.29Å; L211-L215 WeakPolarHBondContact O-CG 3.35Å; L211-L215 PolarHBondContact O-N 3.14Å; L212-L215 PolarHBondContact O-N 3.4Å; L213-L215 VanDerWaalsContact C-N 3.34Å; L213-L215 PolarHBondContact O-N 2.81Å; L215-Q218 PolarHBondContact O-N 2.95Å; L215-D219 PolarHBondContact O-N 3.38Å
216L95.8Very high82.8Confident13 Ų1371.1 Ų71.17%0.06841%0.405CS..Hα-helixtrans-64.6-41.1175.8-71.6169.2000111.8V41 L65 K95 I96 L212 L213 Q218 D219 Q220V41-L216 HydrophobicContact CG2-CD1 4.39Å; L65-L216 HydrophobicContact CD1-CD1 4.36Å; L65-L216 HydrophobicContact CD2-CD1 3.98Å; K95-L216 HydrophobicContact CB-CD2 3.96Å; K95-L216 HydrophobicContact CD-CD2 3.63Å; K95-L216 HydrophobicContact CG-CD2 4.47Å; I96-L216 HydrophobicContact CD1-CD2 3.95Å; I96-L216 HydrophobicContact CD1-CG 3.78Å; I96-L216 HydrophobicContact CG1-CD2 4.31Å; L212-L216 WeakPolarHBondContact O-CB 3.5Å; L212-L216 WeakPolarHBondContact O-CG 3.31Å; L212-L216 PolarHBondContact O-N 3.29Å; L213-L216 PolarHBondContact O-N 3.33Å; L216-Q218 VanDerWaalsContact C-N 3.32Å; L216-Q218 PolarHBondContact O-N 2.97Å; L216-D219 PolarHBondContact O-N 2.92Å; L216-Q220 PolarHBondContact O-N 3.38Å
217A94.4Very high80.3Confident35 Ų3571.9 Ų71.929%0.28942%0.42SS..Hα-helixtrans-62.9-37.7176.100000112.5L213 D219 Q220 Q222L213-A217 WeakPolarHBondContact O-CB 3.46Å; L213-A217 PolarHBondContact O-N 3.06Å; A217-D219 VanDerWaalsContact C-N 3.33Å; A217-Q220 PolarHBondContact O-N 3.17Å; A217-Q222 PolarHBondContact O-N 2.96Å
218Q90.1Very high77.3Confident88 Ų8878.3 Ų78.341%0.41144%0.443SS..Hα-helixtrans-65.9-34.9175.2-71.3174.16.300112.4R132 R214 L215 L216 Q220 G221R132-Q218 VanDerWaalsContact CZ-OE1 3.28Å; R132-Q218 VanDerWaalsContact NH2-CB 3.33Å; R132-Q218 VanDerWaalsContact NH2-OE1 3.07Å; R214-Q218 VanDerWaalsContact O-CG 3.31Å; R214-Q218 WeakPolarHBondContact O-CG 3.24Å; R214-Q218 PolarHBondContact O-N 3.49Å; L215-Q218 PolarHBondContact O-N 2.95Å; L216-Q218 VanDerWaalsContact C-N 3.32Å; L216-Q218 PolarHBondContact O-N 2.97Å; Q218-Q220 VanDerWaalsContact C-N 3.31Å; Q218-G221 PolarHBondContact O-N 3.37Å
219D79.9Confident74.7Confident77 Ų7784.1 Ų84.141%0.41248%0.481SS..Hα-helixtrans-69.3-29176.2-164.664.4000112.5K95 L215 L216 A217 G221K95-D219 WeakPolarHBondContact CD-OD2 3.25Å; K95-D219 WeakPolarHBondContact CG-OD2 3.39Å; K95-D219 IonicContact NZ-OD2 3.79Å; K95-D219 PolarHBondContact NZ-OD2 3.3Å; L215-D219 PolarHBondContact O-N 3.38Å; L216-D219 PolarHBondContact O-N 2.92Å; A217-D219 VanDerWaalsContact C-N 3.33Å; D219-G221 PolarHBondContact O-N 2.75Å
220Q78.4Confident72.2Confident110 Ų11086.4 Ų86.451%0.51451%0.507SS..THydrogen-bonded Turntrans-80.14.8173.5-64.4-175.25.100113.7L216 A217 Q218 Q222L216-Q220 PolarHBondContact O-N 3.38Å; A217-Q220 PolarHBondContact O-N 3.17Å; Q218-Q220 VanDerWaalsContact C-N 3.31Å; Q220-Q222 HydrophobicContact CB-CG 4.29Å; Q220-Q222 PolarHBondContact O-N 3.1Å
221G72.3Confident70.5Confident68 Ų6893.1 Ų93.170%0.70155%0.549SS*.THydrogen-bonded Turntrans70.312.4-175.600000114.1Q218 D219Q218-G221 PolarHBondContact O-N 3.37Å; D219-G221 PolarHBondContact O-N 2.75Å
222Q56.7Low69.1Low139 Ų13997.1 Ų97.165%0.6557%0.573SS**  trans-98.424.9-178-62.2-177.521.900112.7A217 Q220 A224A217-Q222 PolarHBondContact O-N 2.96Å; Q220-Q222 HydrophobicContact CB-CG 4.29Å; Q220-Q222 PolarHBondContact O-N 3.1Å; Q222-A224 PolarHBondContact O-N 2.79Å
223G45.6Very low67.5Low45 Ų45102.2 Ų102.246%0.46460%0.603SS.*  trans-64.1103.217900000111.7
224A46.4Very low65.8Low87 Ų87103.3 Ų103.372%0.71961%0.612SS**  trans-54.2140.9166.700000109.7Q222 L226Q222-A224 PolarHBondContact O-N 2.79Å; A224-L226 PolarHBondContact O-N 2.9Å
225P44.3Very low64Low121 Ų121101 Ų10179%0.78662%0.617SS**  trans-58.1135.9177.712.8-16.1000109.7L227P225-L227 PolarHBondContact O-N 2.81Å
226L53.3Low61.9Low165 Ų165107 Ų10786%0.86465%0.654SS**  trans-51.6113.3167.3-76.4156.4000107.2A224 E228A224-L226 PolarHBondContact O-N 2.9Å; L226-E228 VanDerWaalsContact C-N 3.29Å; L226-E228 PolarHBondContact O-N 3.17Å
227L46.4Very low59.7Low173 Ų173113.3 Ų113.391%0.90669%0.693SS**  trans-6597.9163.9-83.3156.6000106.1P225P225-L227 PolarHBondContact O-N 2.81Å
228E36.2Very low57.2Low174 Ų174118.9 Ų118.981%0.81372%0.721SS**PPolyproline II helixtrans-58136.1161.7-72.1-170.7161.400108.1L226 A230L226-E228 VanDerWaalsContact C-N 3.29Å; L226-E228 PolarHBondContact O-N 3.17Å; E228-A230 PolarHBondContact O-N 3.27Å
229P42.9Very low54.7Low124 Ų124121.2 Ų121.281%0.80575%0.745SS**PPolyproline II helixtrans-64.8122.8168.228.1-29.3000107.6
230A46Very low52.6Low87 Ų87124.9 Ų124.972%0.71977%0.773SS**PPolyproline II helixtrans-55.4150.9168.600000110E228E228-A230 PolarHBondContact O-N 3.27Å
231P62.6Low50.2Low206 Ų206126.3 Ų126.3100%1.33880%0.797SS**  trans-55.40-165.322.2-35.3000115.6

Retrieved 231 of 231 residues in 540.8 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).