A0A087WX87_HUMAN Loading...

Ankyrin repeat domain 36B

AlphaFold DB , UniProt , Accession A0A087WX87, Species HUMAN (Homo sapiens, Human), Gene ANKRD36B, Length 171 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
1M33.8Very low44.4Very low246 Ų246116.8 Ų116.8100%1.21261%0.605SS**  0115.90-67.2-144.5-16200106.8
2E31.6Very low44.9Very low187 Ų187114.9 Ų114.987%0.87461%0.605SS**  trans-65.6140.5-153.7-71.9163.8155.700113.6L4E2-L4 PolarHBondContact O-N 2.84Å
3R35.2Very low45.6Very low252 Ų252119.5 Ų119.595%0.95162%0.621SS**  trans-60.597.7170.1-73.1172.7170146.8-4.2108C5R3-C5 PolarHBondContact O-N 3.33Å
4L34.9Very low47Very low139 Ų139115 Ų11573%0.72859%0.592SS**  trans-63.1129.3165.5-70.8168.8000107.5E2 S6E2-L4 PolarHBondContact O-N 2.84Å; L4-S6 PolarHBondContact O-N 3.22Å
5C37.9Very low48.3Very low85 Ų85117.3 Ų117.357%0.57459%0.592SS**  trans-46.4129.8178.7-1410000110R3 D7R3-C5 PolarHBondContact O-N 3.33Å; C5-D7 VanDerWaalsContact C-OD1 3.27Å; C5-D7 VanDerWaalsContact CB-OD1 3.23Å; C5-D7 WeakPolarHBondContact CB-OD1 3.45Å; C5-D7 PolarHBondContact O-N 3.49Å; C5-D7 VanDerWaalsContact O-OD1 3.09Å; C5-D7 PolarHBondContact SG-OD2 3.26Å
6S44.7Very low49.7Very low130 Ų130112 Ų11291%0.90957%0.565SS**THydrogen-bonded Turntrans-74.814.7-17249.90000114L4L4-S6 PolarHBondContact O-N 3.22Å
7D49.6Very low51.3Low72 Ų72109.6 Ų109.639%0.38555%0.551SS.*THydrogen-bonded Turntrans-94.9-3.8-170.444.315.4000113.2C5 F9C5-D7 VanDerWaalsContact C-OD1 3.27Å; C5-D7 VanDerWaalsContact CB-OD1 3.23Å; C5-D7 WeakPolarHBondContact CB-OD1 3.45Å; C5-D7 PolarHBondContact O-N 3.49Å; C5-D7 VanDerWaalsContact O-OD1 3.09Å; C5-D7 PolarHBondContact SG-OD2 3.26Å; D7-F9 WeakPolarHBondContact O-CD2 3.29Å; D7-F9 PolarHBondContact O-N 2.92Å
8G53.9Low52.6Low20 Ų20108.9 Ų108.921%0.20656%0.555CS.*SBendtrans69.2-1169.100000115.3R120G8-R120 VanDerWaalsContact O-CZ 3.31Å; G8-R120 PolarHBondContact O-NH1 2.9Å; G8-R120 PolarHBondContact O-NH2 2.97Å
9F58Low53.9Low28 Ų28110.1 Ų110.112%0.12355%0.553CS.*  trans-87.7-15.4173.6-85.9-81.4000113.2D7 F11 R120 H124 Y125 Y128D7-F9 WeakPolarHBondContact O-CD2 3.29Å; D7-F9 PolarHBondContact O-N 2.92Å; F9-F11 PolarHBondContact O-N 2.84Å; F9-R120 HydrophobicContact CZ-CG 4.5Å; F9-H124 HydrophobicContact CZ-CB 4.46Å; F9-Y125 HydrophobicContact CD1-CD1 4.23Å; F9-Y125 HydrophobicContact CD1-CE1 4.25Å; F9-Y125 HydrophobicContact CE1-CD1 4.03Å; F9-Y125 HydrophobicContact CE1-CE1 4.23Å; F9-Y128 HydrophobicContact CB-CD2 4.22Å; F9-Y128 HydrophobicContact CB-CE1 4.13Å; F9-Y128 HydrophobicContact CB-CE2 3.81Å; F9-Y128 AromaticContact CD1-CD1 3.6Å; F9-Y128 HydrophobicContact CD1-CD1 3.6Å; F9-Y128 AromaticContact CD1-CD2 3.61Å; F9-Y128 HydrophobicContact CD1-CD2 3.61Å; F9-Y128 HydrophobicContact CD1-CE1 4.04Å; F9-Y128 HydrophobicContact CD1-CE2 4.07Å; F9-Y128 AromaticContact CD1-CG 3.36Å; F9-Y128 HydrophobicContact CD1-CG 3.36Å; F9-Y128 HydrophobicContact CD2-CD2 4.44Å; F9-Y128 VanDerWaalsContact CE1-CB 3.5Å; F9-Y128 HydrophobicContact CE1-CD1 4.19Å; F9-Y128 HydrophobicContact CE1-CD2 4.01Å; F9-Y128 AromaticContact CE1-CG 3.63Å; F9-Y128 HydrophobicContact CE1-CG 3.63Å; F9-Y128 HydrophobicContact CG-CD1 4.38Å; F9-Y128 AromaticContact CG-CD2 3.85Å; F9-Y128 HydrophobicContact CG-CD2 3.85Å; F9-Y128 HydrophobicContact CG-CE1 4.45Å; F9-Y128 AromaticContact CG-CE2 3.95Å; F9-Y128 HydrophobicContact CG-CE2 3.95Å; F9-Y128 HydrophobicContact CG-CG 4.08Å
10A50.8Low55.1Low36 Ų36105.8 Ų105.830%0.29853%0.531SS..  trans-47.2133171.400000109.2P12A10-P12 WeakPolarHBondContact O-CD 3.28Å
11F58.3Low56.4Low90 Ų90101.5 Ų101.540%0.39551%0.509SS..  trans-9375.6175.1-58.3-79.9000108.5F9 H13 Q95 Y128F9-F11 PolarHBondContact O-N 2.84Å; F11-H13 PolarHBondContact O-N 3.34Å; F11-Q95 HydrophobicContact CD1-CG 4.08Å; F11-Q95 HydrophobicContact CE1-CG 3.72Å; F11-Q95 WeakPolarHBondContact CE1-O 3.38Å; F11-Y128 HydrophobicContact CE2-CD1 4.37Å; F11-Y128 AromaticContact CE2-CE1 3.59Å; F11-Y128 HydrophobicContact CE2-CE1 3.59Å; F11-Y128 HydrophobicContact CZ-CD1 4.04Å; F11-Y128 AromaticContact CZ-CE1 3.7Å; F11-Y128 HydrophobicContact CZ-CE1 3.7Å
12P49.7Very low59Low94 Ų9494 Ų9461%0.6147%0.47SS*.  trans-57.3134164.928.8-32000105.6A10 Y14A10-P12 WeakPolarHBondContact O-CD 3.28Å; P12-Y14 PolarHBondContact O-N 2.94Å
13H53.8Low61.8Low174 Ų17491.7 Ų91.781%0.80645%0.453SS*.  trans-37.9121.1175.4-67.9-71.9000108.9F11 Y15F11-H13 PolarHBondContact O-N 3.34Å; H13-Y15 WeakPolarHBondContact O-CA 3.37Å; H13-Y15 WeakPolarHBondContact O-CB 3.44Å; H13-Y15 PolarHBondContact O-N 3.4Å
14Y65.4Low64.4Low57 Ų5779.7 Ų79.722%0.22441%0.408CS..  trans-62.385.2-179-179.7-104.3000108.5P12 I16 R54 L59 A62 K92 L96P12-Y14 PolarHBondContact O-N 2.94Å; Y14-I16 HydrophobicContact CD1-CD1 3.84Å; Y14-I16 HydrophobicContact CD1-CG1 3.73Å; Y14-I16 HydrophobicContact CE1-CD1 3.69Å; Y14-I16 HydrophobicContact CE1-CG1 3.69Å; Y14-I16 PolarHBondContact O-N 3.41Å; Y14-R54 WeakPolarHBondContact OH-CD 3.5Å; Y14-R54 PolarHBondContact OH-NH1 3.35Å; Y14-L59 HydrophobicContact CE1-CD2 4.16Å; Y14-A62 HydrophobicContact CD1-CB 3.77Å; Y14-A62 HydrophobicContact CE1-CB 3.32Å; Y14-A62 HydrophobicContact CE2-CB 4.38Å; Y14-A62 HydrophobicContact CG-CB 4.46Å; Y14-K92 HydrophobicContact CE2-CD 4.03Å; Y14-L96 HydrophobicContact CG-CD1 4.38Å
15Y66.7Low67.2Low150 Ų15073.1 Ų73.159%0.58837%0.373SS*.  trans-85.9108.5-161.9-164.5-107.1000110H13 K17 K52H13-Y15 WeakPolarHBondContact O-CA 3.37Å; H13-Y15 WeakPolarHBondContact O-CB 3.44Å; H13-Y15 PolarHBondContact O-N 3.4Å; Y15-K17 HydrophobicContact CD1-CD 4.01Å; Y15-K17 HydrophobicContact CD1-CG 3.39Å; Y15-K17 HydrophobicContact CE1-CD 3.82Å; Y15-K17 VanDerWaalsContact CE1-CE 3.46Å; Y15-K17 HydrophobicContact CE1-CG 3.33Å; Y15-K52 PolarHBondContact O-NZ 2.9Å
16I70.8Confident69.7Low32 Ų3274.7 Ų74.716%0.16437%0.367CS..  trans-95.998.4-179.3-50.4176.6000108.7Y14 L21 L29 L59 T63Y14-I16 HydrophobicContact CD1-CD1 3.84Å; Y14-I16 HydrophobicContact CD1-CG1 3.73Å; Y14-I16 HydrophobicContact CE1-CD1 3.69Å; Y14-I16 HydrophobicContact CE1-CG1 3.69Å; Y14-I16 PolarHBondContact O-N 3.41Å; I16-L21 HydrophobicContact CG2-CD1 3.94Å; I16-L21 HydrophobicContact CG2-CD2 3.67Å; I16-L21 HydrophobicContact CG2-CG 4.22Å; I16-L29 HydrophobicContact CD1-CD1 3.5Å; I16-L29 VanDerWaalsContact CD1-CD1 3.5Å; I16-L29 HydrophobicContact CG2-CD1 4.33Å; I16-L29 HydrophobicContact CG2-CD2 3.9Å; I16-L59 HydrophobicContact CD1-CD2 4.11Å; I16-T63 HydrophobicContact CD1-CG2 4.28Å
17K77.1Confident72Confident72 Ų7268.5 Ų68.531%0.31332%0.324SS..  trans-78.1128175.9-60.1-165.4-177.2-171.50110.6Y15 Y19 H20Y15-K17 HydrophobicContact CD1-CD 4.01Å; Y15-K17 HydrophobicContact CD1-CG 3.39Å; Y15-K17 HydrophobicContact CE1-CD 3.82Å; Y15-K17 VanDerWaalsContact CE1-CE 3.46Å; Y15-K17 HydrophobicContact CE1-CG 3.33Å; K17-Y19 HydrophobicContact CB-CD1 3.96Å; K17-Y19 HydrophobicContact CB-CE1 3.61Å; K17-Y19 HydrophobicContact CB-CE2 4.38Å; K17-Y19 HydrophobicContact CB-CG 4.48Å; K17-Y19 HydrophobicContact CD-CE1 3.55Å; K17-Y19 HydrophobicContact CD-CE2 4.33Å; K17-Y19 WeakPolarHBondContact CD-OH 3.41Å; K17-Y19 HydrophobicContact CG-CE1 4.12Å; K17-Y19 PolarHBondContact NZ-OH 2.72Å; K17-Y19 PolarHBondContact O-N 3.46Å; K17-Y19 VanDerWaalsContact O-N 3.12Å; K17-H20 WeakPolarHBondContact O-CB 3.44Å; K17-H20 PolarHBondContact O-N 3.46Å
18P74.9Confident74.1Confident96 Ų9665 Ų6562%0.62331%0.305SS*.G310 helixtrans-55.2-34.2-176.7-2935.2000114.5H20 L21P18-H20 VanDerWaalsContact C-N 3.25Å; P18-H20 PolarHBondContact O-N 3.45Å; P18-L21 WeakPolarHBondContact O-CB 3.4Å; P18-L21 PolarHBondContact O-N 3.43Å
19Y77.6Confident75.8Confident132 Ų13267 Ų6752%0.51831%0.311SS..G310 helixtrans-74.8-9.6-179.262.4-100.1000114.3K17 L21K17-Y19 HydrophobicContact CB-CD1 3.96Å; K17-Y19 HydrophobicContact CB-CE1 3.61Å; K17-Y19 HydrophobicContact CB-CE2 4.38Å; K17-Y19 HydrophobicContact CB-CG 4.48Å; K17-Y19 HydrophobicContact CD-CE1 3.55Å; K17-Y19 HydrophobicContact CD-CE2 4.33Å; K17-Y19 WeakPolarHBondContact CD-OH 3.41Å; K17-Y19 HydrophobicContact CG-CE1 4.12Å; K17-Y19 PolarHBondContact NZ-OH 2.72Å; K17-Y19 PolarHBondContact O-N 3.46Å; K17-Y19 VanDerWaalsContact O-N 3.12Å; Y19-L21 VanDerWaalsContact C-N 3.32Å
20H78.1Confident77.4Confident24 Ų2475.1 Ų75.111%0.11134%0.341CS..G310 helixtrans-78.2-21.6170-64.9164.8000112.3K17 P18 D50 R51K17-H20 WeakPolarHBondContact O-CB 3.44Å; K17-H20 PolarHBondContact O-N 3.46Å; P18-H20 VanDerWaalsContact C-N 3.25Å; P18-H20 PolarHBondContact O-N 3.45Å; H20-D50 VanDerWaalsContact O-CB 3.28Å; H20-D50 WeakPolarHBondContact O-CB 3.47Å; H20-R51 HydrophobicContact CB-CB 4.01Å; H20-R51 PolarHBondContact O-N 2.96Å
21L82.1Confident79.3Confident15 Ų1575.3 Ų75.38%0.07935%0.346CS..  trans-87.6139.2-163.9-53.3-179.7000113.1I16 P18 Y19 H25 R26 L29 L59I16-L21 HydrophobicContact CG2-CD1 3.94Å; I16-L21 HydrophobicContact CG2-CD2 3.67Å; I16-L21 HydrophobicContact CG2-CG 4.22Å; P18-L21 WeakPolarHBondContact O-CB 3.4Å; P18-L21 PolarHBondContact O-N 3.43Å; Y19-L21 VanDerWaalsContact C-N 3.32Å; L21-H25 HydrophobicContact CB-CB 3.91Å; L21-H25 HydrophobicContact CD2-CB 3.93Å; L21-H25 HydrophobicContact CG-CB 4.43Å; L21-R26 HydrophobicContact CB-CG 3.72Å; L21-R26 HydrophobicContact CD1-CG 3.97Å; L21-L29 HydrophobicContact CD1-CD2 3.42Å; L21-L29 VanDerWaalsContact CD1-CD2 3.42Å; L21-L59 HydrophobicContact CD2-CD1 3.96Å
22K87.6Confident81.1Confident89 Ų8974.5 Ų74.539%0.38735%0.346SS..  trans-87.5-180165.7-50.7-64.1-174.8172.50111.3I24 H25 R26 K48K22-I24 PolarHBondContact O-N 3.28Å; K22-H25 WeakPolarHBondContact CB-ND1 3.45Å; K22-H25 PolarHBondContact N-ND1 3.07Å; K22-H25 PolarHBondContact O-N 3.31Å; K22-R26 PolarHBondContact O-N 3.43Å; K22-R26 VanDerWaalsContact O-N 3.09Å; K22-K48 HydrophobicContact CG-CG 4.44Å
23R89.9Confident83.2Confident139 Ų13972.5 Ų72.553%0.52533%0.33SS..Hα-helixtrans-57.9-47.5-177.9-70.1177.970.7171.30.3112.2R26 A27 L39 Y44R23-R26 PolarHBondContact O-N 3.12Å; R23-A27 PolarHBondContact O-N 3.42Å; R23-L39 HydrophobicContact CB-CD1 4.42Å; R23-Y44 HydrophobicContact CB-CE2 4.34Å
24I91.5Very high85.2Confident0 Ų069.9 Ų69.90%032%0.318CS..Hα-helixtrans-62.3-44.7179.1-163171.6000112.3K22 R26 A27 V28 L36 L39 L40 Y44 K48 A56K22-I24 PolarHBondContact O-N 3.28Å; I24-R26 VanDerWaalsContact C-N 3.33Å; I24-R26 PolarHBondContact O-N 2.78Å; I24-A27 WeakPolarHBondContact O-CB 3.45Å; I24-A27 PolarHBondContact O-N 3.22Å; I24-V28 PolarHBondContact O-N 3.14Å; I24-V28 VanDerWaalsContact O-N 3.14Å; I24-L36 HydrophobicContact CD1-CD1 3.95Å; I24-L36 HydrophobicContact CG1-CD1 3.48Å; I24-L36 VanDerWaalsContact CG1-CD1 3.48Å; I24-L39 HydrophobicContact CB-CD1 4.35Å; I24-L40 HydrophobicContact CD1-CD2 3.88Å; I24-Y44 HydrophobicContact CB-CD1 4.01Å; I24-Y44 HydrophobicContact CB-CE1 3.63Å; I24-Y44 HydrophobicContact CD1-CD1 4.1Å; I24-Y44 HydrophobicContact CD1-CE1 4.45Å; I24-Y44 HydrophobicContact CG2-CD1 4.32Å; I24-Y44 HydrophobicContact CG2-CE1 3.63Å; I24-K48 HydrophobicContact CG2-CB 4.45Å; I24-A56 HydrophobicContact CD1-CB 4.05Å; I24-A56 HydrophobicContact CG1-CB 3.98Å; I24-A56 HydrophobicContact CG2-CB 4.35Å
25H92.4Very high86.6Confident0 Ų071.3 Ų71.30%033%0.325CS..Hα-helixtrans-59.3-41176.6-59.9102.9000113.2L21 K22 A27 V28 L29 K48 D50 R54 A56 L59L21-H25 HydrophobicContact CB-CB 3.91Å; L21-H25 HydrophobicContact CD2-CB 3.93Å; L21-H25 HydrophobicContact CG-CB 4.43Å; K22-H25 WeakPolarHBondContact CB-ND1 3.45Å; K22-H25 PolarHBondContact N-ND1 3.07Å; K22-H25 PolarHBondContact O-N 3.31Å; H25-A27 VanDerWaalsContact C-N 3.29Å; H25-A27 PolarHBondContact O-N 3.48Å; H25-V28 PolarHBondContact O-N 2.72Å; H25-L29 WeakPolarHBondContact O-CB 3.34Å; H25-L29 PolarHBondContact O-N 3.12Å; H25-K48 PolarHBondContact CE1-O 3.26Å; H25-K48 PolarHBondContact NE2-O 3.32Å; H25-K48 VanDerWaalsContact NE2-O 3.07Å; H25-D50 PolarHBondContact CE1-N 3.4Å; H25-R54 PolarHBondContact NE2-O 3.01Å; H25-A56 PolarHBondContact NE2-N 3.07Å; H25-L59 HydrophobicContact CB-CD1 3.59Å
26R91.4Very high87.9Confident118 Ų11864.2 Ų64.245%0.44530%0.297SS..Hα-helixtrans-67.5-29.1176.2-73-174.9-73.4178.2-3.7112.7L21 K22 R23 I24 R30L21-R26 HydrophobicContact CB-CG 3.72Å; L21-R26 HydrophobicContact CD1-CG 3.97Å; K22-R26 PolarHBondContact O-N 3.43Å; K22-R26 VanDerWaalsContact O-N 3.09Å; R23-R26 PolarHBondContact O-N 3.12Å; I24-R26 VanDerWaalsContact C-N 3.33Å; I24-R26 PolarHBondContact O-N 2.78Å; R26-R30 WeakPolarHBondContact O-CB 3.33Å; R26-R30 VanDerWaalsContact O-CG 3.29Å; R26-R30 WeakPolarHBondContact O-CG 3.25Å; R26-R30 PolarHBondContact O-N 3.37Å
27A93.3Very high89Confident0 Ų066.1 Ų66.10%031%0.305CS..Hα-helixtrans-68.2-48.217500000110.5R23 I24 H25 R30 G31 N32 K35 L36 L39R23-A27 PolarHBondContact O-N 3.42Å; I24-A27 WeakPolarHBondContact O-CB 3.45Å; I24-A27 PolarHBondContact O-N 3.22Å; H25-A27 VanDerWaalsContact C-N 3.29Å; H25-A27 PolarHBondContact O-N 3.48Å; A27-R30 PolarHBondContact O-N 3.49Å; A27-G31 PolarHBondContact O-N 3.38Å; A27-N32 PolarHBondContact O-N 3.05Å; A27-K35 HydrophobicContact CB-CB 4.21Å; A27-K35 HydrophobicContact CB-CD 4.16Å; A27-K35 HydrophobicContact CB-CG 3.96Å; A27-L36 HydrophobicContact CB-CB 4.36Å; A27-L39 HydrophobicContact CB-CD1 4.14Å
28V93.2Very high89.8Confident0 Ų069.5 Ų69.50%032%0.317CS..Hα-helixtrans-61.8-49.6176.1177.70000111.5I24 H25 R30 G31 L36 A56 L59 A60 Q65I24-V28 PolarHBondContact O-N 3.14Å; I24-V28 VanDerWaalsContact O-N 3.14Å; H25-V28 PolarHBondContact O-N 2.72Å; V28-R30 PolarHBondContact O-N 3.45Å; V28-G31 PolarHBondContact O-N 3.09Å; V28-L36 HydrophobicContact CG2-CD1 4.11Å; V28-L36 HydrophobicContact CG2-CD2 3.88Å; V28-A56 HydrophobicContact CG2-CB 3.96Å; V28-L59 HydrophobicContact CG1-CB 3.93Å; V28-A60 HydrophobicContact CG1-CB 3.76Å; V28-Q65 PolarHBondContact O-NE2 3.01Å; V28-Q65 PolarHBondContact O-OE1 3.04Å
29L90.3Very high90.6Very high62 Ų6265.1 Ų65.133%0.32529%0.288SS..Hα-helixtrans-57.8-29.6-178.4-178.263.3000113I16 L21 H25 T63I16-L29 HydrophobicContact CD1-CD1 3.5Å; I16-L29 VanDerWaalsContact CD1-CD1 3.5Å; I16-L29 HydrophobicContact CG2-CD1 4.33Å; I16-L29 HydrophobicContact CG2-CD2 3.9Å; L21-L29 HydrophobicContact CD1-CD2 3.42Å; L21-L29 VanDerWaalsContact CD1-CD2 3.42Å; H25-L29 WeakPolarHBondContact O-CB 3.34Å; H25-L29 PolarHBondContact O-N 3.12Å; L29-T63 HydrophobicContact CD1-CG2 4.23Å
30R90.4Very high91.2Very high197 Ų19759.6 Ų59.674%0.74327%0.267SS*.THydrogen-bonded Turntrans-92.31.1-179.4-69.5-177.8177.3-163.9-1.3113.8R26 A27 V28 N32R26-R30 WeakPolarHBondContact O-CB 3.33Å; R26-R30 VanDerWaalsContact O-CG 3.29Å; R26-R30 WeakPolarHBondContact O-CG 3.25Å; R26-R30 PolarHBondContact O-N 3.37Å; A27-R30 PolarHBondContact O-N 3.49Å; V28-R30 PolarHBondContact O-N 3.45Å; R30-N32 PolarHBondContact O-N 3.15Å
31G91.9Very high91.7Very high40 Ų4063.8 Ų63.841%0.41229%0.29SS..THydrogen-bonded Turntrans69.615.2-175.400000114.5A27 V28 L33 Q65 M68A27-G31 PolarHBondContact O-N 3.38Å; V28-G31 PolarHBondContact O-N 3.09Å; G31-L33 PolarHBondContact O-N 2.9Å; G31-L33 VanDerWaalsContact O-N 3.09Å; G31-Q65 VanDerWaalsContact CA-OE1 3.28Å; G31-M68 VanDerWaalsContact O-CE 3.28Å; G31-M68 WeakPolarHBondContact O-CE 3.45Å
32N95.1Very high91.8Very high73 Ų7366.2 Ų66.239%0.3931%0.305SS..  trans-87.586.9-173.6-167.7-36.7000111.7A27 R30 K35 L36A27-N32 PolarHBondContact O-N 3.05Å; R30-N32 PolarHBondContact O-N 3.15Å; N32-K35 HydrophobicContact CB-CB 4Å; N32-K35 PolarHBondContact O-N 2.92Å; N32-K35 WeakPolarHBondContact OD1-CB 3.18Å; N32-K35 PolarHBondContact OD1-N 3.17Å; N32-L36 PolarHBondContact O-N 3.39Å
33L94.9Very high91.1Very high52 Ų5273.1 Ų73.127%0.27233%0.331SS..Hα-helixtrans-63.2-43.4-175.1-173.768.1000111.8G31 K35 L36 K37 M68 L71G31-L33 PolarHBondContact O-N 2.9Å; G31-L33 VanDerWaalsContact O-N 3.09Å; L33-K35 VanDerWaalsContact C-N 3.34Å; L33-K35 PolarHBondContact O-N 3.01Å; L33-L36 WeakPolarHBondContact O-CB 3.48Å; L33-L36 PolarHBondContact O-N 3.31Å; L33-L36 VanDerWaalsContact O-N 3.11Å; L33-K37 HydrophobicContact CG-CD 4.49Å; L33-K37 WeakPolarHBondContact O-CG 3.37Å; L33-K37 PolarHBondContact O-N 2.87Å; L33-M68 HydrophobicContact CB-CE 3.9Å; L33-M68 HydrophobicContact CB-SD 4.35Å; L33-M68 HydrophobicContact CD1-CE 4.25Å; L33-M68 HydrophobicContact CD1-SD 3.62Å; L33-M68 VanDerWaalsContact N-CE 3.28Å; L33-L71 HydrophobicContact CD1-CB 4.3Å; L33-L71 HydrophobicContact CD1-CD2 3.66Å
34E94.8Very high90.8Very high119 Ų11969.5 Ų69.556%0.55632%0.317SS*.Hα-helixtrans-63.2-40.6179.7-64.4-50.112300112L36 K37 Y38E34-L36 VanDerWaalsContact C-N 3.33Å; E34-L36 PolarHBondContact O-N 2.56Å; E34-K37 PolarHBondContact O-N 2.88Å; E34-K37 IonicContact OE1-NZ 2.74Å; E34-K37 PolarHBondContact OE1-NZ 2.97Å; E34-K37 IonicContact OE2-NZ 3.96Å; E34-Y38 WeakPolarHBondContact O-CB 3.5Å; E34-Y38 PolarHBondContact O-N 2.98Å
35K94.1Very high90.6Very high88 Ų8873.3 Ų73.338%0.38334%0.338SS..Hα-helixtrans-65.4-37.9173.6-173.3171.5-172.6164.30111.9A27 N32 L33 L39A27-K35 HydrophobicContact CB-CB 4.21Å; A27-K35 HydrophobicContact CB-CD 4.16Å; A27-K35 HydrophobicContact CB-CG 3.96Å; N32-K35 HydrophobicContact CB-CB 4Å; N32-K35 PolarHBondContact O-N 2.92Å; N32-K35 WeakPolarHBondContact OD1-CB 3.18Å; N32-K35 PolarHBondContact OD1-N 3.17Å; L33-K35 VanDerWaalsContact C-N 3.34Å; L33-K35 PolarHBondContact O-N 3.01Å; K35-L39 HydrophobicContact CG-CD1 4.33Å; K35-L39 VanDerWaalsContact O-CG 3.24Å; K35-L39 WeakPolarHBondContact O-CG 3.34Å; K35-L39 PolarHBondContact O-N 3.18Å
36L94.4Very high90.5Very high0 Ų074 Ų740%034%0.343CS..Hα-helixtrans-64.9-47.4175.4-177.759.2000111I24 A27 V28 N32 L33 E34 Y38 L39 L40 M68 L71 L72I24-L36 HydrophobicContact CD1-CD1 3.95Å; I24-L36 HydrophobicContact CG1-CD1 3.48Å; I24-L36 VanDerWaalsContact CG1-CD1 3.48Å; A27-L36 HydrophobicContact CB-CB 4.36Å; V28-L36 HydrophobicContact CG2-CD1 4.11Å; V28-L36 HydrophobicContact CG2-CD2 3.88Å; N32-L36 PolarHBondContact O-N 3.39Å; L33-L36 WeakPolarHBondContact O-CB 3.48Å; L33-L36 PolarHBondContact O-N 3.31Å; L33-L36 VanDerWaalsContact O-N 3.11Å; E34-L36 VanDerWaalsContact C-N 3.33Å; E34-L36 PolarHBondContact O-N 2.56Å; L36-Y38 PolarHBondContact O-N 3.46Å; L36-L39 PolarHBondContact O-N 3.05Å; L36-L40 HydrophobicContact CD1-CD1 4.01Å; L36-L40 HydrophobicContact CD1-CG 4.19Å; L36-L40 HydrophobicContact CG-CD1 3.89Å; L36-L40 HydrophobicContact CG-CG 4.48Å; L36-L40 WeakPolarHBondContact O-CG 3.43Å; L36-L40 PolarHBondContact O-N 3.16Å; L36-M68 HydrophobicContact CB-SD 4.26Å; L36-M68 HydrophobicContact CD2-CB 4.35Å; L36-M68 HydrophobicContact CD2-CG 4.48Å; L36-M68 HydrophobicContact CD2-SD 3.36Å; L36-M68 WeakPolarHBondContact CD2-SD 3.49Å; L36-M68 HydrophobicContact CG-SD 4.45Å; L36-L71 HydrophobicContact CB-CD2 4.23Å; L36-L71 HydrophobicContact CD2-CD2 3.94Å; L36-L71 HydrophobicContact CG-CD2 3.88Å; L36-L72 HydrophobicContact CD1-CD2 4.28Å; L36-L72 HydrophobicContact CD2-CD2 4.38Å; L36-L72 HydrophobicContact CD2-CG 4.2Å
37K94Very high90.6Very high73 Ų7369.8 Ų69.832%0.31733%0.33SS..Hα-helixtrans-54.7-50174.6-71.8174.4-177.7164.70111.4L33 E34 L39 L40 L41 L71L33-K37 HydrophobicContact CG-CD 4.49Å; L33-K37 WeakPolarHBondContact O-CG 3.37Å; L33-K37 PolarHBondContact O-N 2.87Å; E34-K37 PolarHBondContact O-N 2.88Å; E34-K37 IonicContact OE1-NZ 2.74Å; E34-K37 PolarHBondContact OE1-NZ 2.97Å; E34-K37 IonicContact OE2-NZ 3.96Å; K37-L39 VanDerWaalsContact C-N 3.34Å; K37-L39 PolarHBondContact O-N 2.99Å; K37-L40 PolarHBondContact O-N 3.34Å; K37-L41 WeakPolarHBondContact O-CG 3.48Å; K37-L41 PolarHBondContact O-N 2.9Å; K37-L71 HydrophobicContact CB-CD2 4.34Å; K37-L71 HydrophobicContact CG-CD1 4.14Å; K37-L71 HydrophobicContact CG-CD2 3.43Å; K37-L71 VanDerWaalsContact CG-CD2 3.43Å; K37-L71 HydrophobicContact CG-CG 4.46Å
38Y93.1Very high90.6Very high143 Ų14374.2 Ų74.256%0.56135%0.349SS*.Hα-helixtrans-58.8-43.6178.8175.8-95.8000112.4E34 L36 L41 T42E34-Y38 WeakPolarHBondContact O-CB 3.5Å; E34-Y38 PolarHBondContact O-N 2.98Å; L36-Y38 PolarHBondContact O-N 3.46Å; Y38-L41 PolarHBondContact O-N 3.26Å; Y38-T42 HydrophobicContact CE1-CG2 4.39Å; Y38-T42 HydrophobicContact CE2-CG2 4.29Å; Y38-T42 WeakPolarHBondContact O-CG2 3.3Å; Y38-T42 PolarHBondContact O-N 3.1Å; Y38-T42 PolarHBondContact O-OG1 3.45Å
39L92.2Very high90.6Very high4 Ų478.7 Ų78.72%0.02137%0.366CS..Hα-helixtrans-63.8-45.5176.7-70.5170.8000111.3R23 I24 A27 K35 L36 K37 L41 T42 Y44R23-L39 HydrophobicContact CB-CD1 4.42Å; I24-L39 HydrophobicContact CB-CD1 4.35Å; A27-L39 HydrophobicContact CB-CD1 4.14Å; K35-L39 HydrophobicContact CG-CD1 4.33Å; K35-L39 VanDerWaalsContact O-CG 3.24Å; K35-L39 WeakPolarHBondContact O-CG 3.34Å; K35-L39 PolarHBondContact O-N 3.18Å; L36-L39 PolarHBondContact O-N 3.05Å; K37-L39 VanDerWaalsContact C-N 3.34Å; K37-L39 PolarHBondContact O-N 2.99Å; L39-L41 PolarHBondContact O-N 3.43Å; L39-T42 PolarHBondContact O-N 2.93Å; L39-T42 VanDerWaalsContact O-N 3.12Å; L39-T42 PolarHBondContact O-OG1 3.31Å; L39-Y44 HydrophobicContact CD2-CD2 4.27Å; L39-Y44 WeakPolarHBondContact O-CB 3.4Å; L39-Y44 PolarHBondContact O-N 2.64Å
40L89.9Confident90.7Very high15 Ų1576.2 Ų76.28%0.07935%0.353CS..Hα-helixtrans-67.6-22.1-179.9-67171.1000113.7I24 L36 K37 A46 L71 L72 R75I24-L40 HydrophobicContact CD1-CD2 3.88Å; L36-L40 HydrophobicContact CD1-CD1 4.01Å; L36-L40 HydrophobicContact CD1-CG 4.19Å; L36-L40 HydrophobicContact CG-CD1 3.89Å; L36-L40 HydrophobicContact CG-CG 4.48Å; L36-L40 WeakPolarHBondContact O-CG 3.43Å; L36-L40 PolarHBondContact O-N 3.16Å; K37-L40 PolarHBondContact O-N 3.34Å; L40-A46 HydrophobicContact CD2-CB 3.63Å; L40-L71 HydrophobicContact CD1-CD2 4.17Å; L40-L71 HydrophobicContact CD1-CG 3.95Å; L40-L72 HydrophobicContact CD1-CD2 4.09Å; L40-L72 HydrophobicContact CD2-CD2 4.38Å; L40-R75 HydrophobicContact CB-CG 4.47Å; L40-R75 HydrophobicContact CD1-CG 4.14Å
41L89.1Confident90.6Very high112 Ų11273.7 Ų73.759%0.58634%0.343SS*.Hα-helixtrans-77.9-23.7172.9-75.1168.5000113.3K37 Y38 L39 Y43 R75K37-L41 WeakPolarHBondContact O-CG 3.48Å; K37-L41 PolarHBondContact O-N 2.9Å; Y38-L41 PolarHBondContact O-N 3.26Å; L39-L41 PolarHBondContact O-N 3.43Å; L41-Y43 VanDerWaalsContact C-N 3.35Å; L41-Y43 PolarHBondContact O-N 3.01Å; L41-R75 VanDerWaalsContact CD2-NH2 3.3Å
42T85.1Confident90.5Very high67 Ų6775 Ų7541%0.41134%0.337SS..THydrogen-bonded Turntrans-95.934.4-171.547.10000113.5Y38 L39 Y44Y38-T42 HydrophobicContact CE1-CG2 4.39Å; Y38-T42 HydrophobicContact CE2-CG2 4.29Å; Y38-T42 WeakPolarHBondContact O-CG2 3.3Å; Y38-T42 PolarHBondContact O-N 3.1Å; Y38-T42 PolarHBondContact O-OG1 3.45Å; L39-T42 PolarHBondContact O-N 2.93Å; L39-T42 VanDerWaalsContact O-N 3.12Å; L39-T42 PolarHBondContact O-OG1 3.31Å; T42-Y44 PolarHBondContact O-N 2.9Å; T42-Y44 VanDerWaalsContact O-N 3.16Å
43Y72.6Confident90.4Very high234 Ų23475 Ų7592%0.91834%0.335SS*.THydrogen-bonded Turntrans56.620.1-173.6-64-84000114.7L41 D45L41-Y43 VanDerWaalsContact C-N 3.35Å; L41-Y43 PolarHBondContact O-N 3.01Å; Y43-D45 PolarHBondContact O-N 3.32Å
44Y82.5Confident90.3Very high62 Ų6272.7 Ų72.724%0.24332%0.323CS..  trans-72.3126.2176.6-157.1-79.1000110R23 I24 L39 T42 A46 K48R23-Y44 HydrophobicContact CB-CE2 4.34Å; I24-Y44 HydrophobicContact CB-CD1 4.01Å; I24-Y44 HydrophobicContact CB-CE1 3.63Å; I24-Y44 HydrophobicContact CD1-CD1 4.1Å; I24-Y44 HydrophobicContact CD1-CE1 4.45Å; I24-Y44 HydrophobicContact CG2-CD1 4.32Å; I24-Y44 HydrophobicContact CG2-CE1 3.63Å; L39-Y44 HydrophobicContact CD2-CD2 4.27Å; L39-Y44 WeakPolarHBondContact O-CB 3.4Å; L39-Y44 PolarHBondContact O-N 2.64Å; T42-Y44 PolarHBondContact O-N 2.9Å; T42-Y44 VanDerWaalsContact O-N 3.16Å; Y44-A46 PolarHBondContact O-N 3.24Å; Y44-K48 HydrophobicContact CE1-CB 4.21Å; Y44-K48 HydrophobicContact CE1-CG 4.42Å
45D88.4Confident90.4Very high81 Ų8167 Ų6743%0.43330%0.297SS..  trans-59.7114.4178173.915.6000111.7Y43 N47 K48Y43-D45 PolarHBondContact O-N 3.32Å; D45-N47 VanDerWaalsContact C-N 3.26Å; D45-N47 PolarHBondContact O-N 3.38Å; D45-N47 WeakPolarHBondContact OD1-CA 3.34Å; D45-N47 WeakPolarHBondContact OD1-CB 3.47Å; D45-N47 PolarHBondContact OD1-N 2.99Å; D45-K48 HydrophobicContact CB-CB 4.35Å; D45-K48 VanDerWaalsContact O-CB 3.26Å; D45-K48 WeakPolarHBondContact O-CB 3.36Å; D45-K48 PolarHBondContact O-N 3.44Å; D45-K48 PolarHBondContact OD1-N 3.49Å; D45-K48 PolarHBondContact OD2-N 3.28Å
46A90.1Very high90.5Very high14 Ų1462.9 Ų62.912%0.11628%0.279CS..THydrogen-bonded Turntrans-67.9-27.117800000112.5L40 Y44 K48 C77L40-A46 HydrophobicContact CD2-CB 3.63Å; Y44-A46 PolarHBondContact O-N 3.24Å; A46-K48 VanDerWaalsContact C-N 3.25Å; A46-K48 PolarHBondContact O-N 3.14Å; A46-C77 HydrophobicContact CB-CB 3.97Å
47N93.4Very high90.6Very high30 Ų3063 Ų6316%0.1628%0.279CS..THydrogen-bonded Turntrans-87.34.4179.6-62.9-18000111.9D45 R49 C77 E78 L81D45-N47 VanDerWaalsContact C-N 3.26Å; D45-N47 PolarHBondContact O-N 3.38Å; D45-N47 WeakPolarHBondContact OD1-CA 3.34Å; D45-N47 WeakPolarHBondContact OD1-CB 3.47Å; D45-N47 PolarHBondContact OD1-N 2.99Å; N47-R49 WeakPolarHBondContact O-CG 3.28Å; N47-R49 PolarHBondContact O-N 3.33Å; N47-R49 VanDerWaalsContact O-N 3.11Å; N47-C77 WeakPolarHBondContact OD1-CA 3.34Å; N47-C77 WeakPolarHBondContact OD1-CB 3.37Å; N47-E78 VanDerWaalsContact ND2-CD 3.32Å; N47-E78 VanDerWaalsContact ND2-CG 3.32Å; N47-E78 WeakPolarHBondContact ND2-CG 3.28Å; N47-E78 PolarHBondContact ND2-OE1 3.5Å; N47-E78 VanDerWaalsContact ND2-OE1 3.07Å; N47-E78 PolarHBondContact OD1-N 3.34Å; N47-L81 HydrophobicContact CB-CD1 3.76Å
48K93.6Very high90.7Very high92 Ų9259.5 Ų59.540%0.426%0.264SS..  trans-54.8123.2-178.3-168.366.7172.5-176.40110.3K22 I24 H25 Y44 D45 A46K22-K48 HydrophobicContact CG-CG 4.44Å; I24-K48 HydrophobicContact CG2-CB 4.45Å; H25-K48 PolarHBondContact CE1-O 3.26Å; H25-K48 PolarHBondContact NE2-O 3.32Å; H25-K48 VanDerWaalsContact NE2-O 3.07Å; Y44-K48 HydrophobicContact CE1-CB 4.21Å; Y44-K48 HydrophobicContact CE1-CG 4.42Å; D45-K48 HydrophobicContact CB-CB 4.35Å; D45-K48 VanDerWaalsContact O-CB 3.26Å; D45-K48 WeakPolarHBondContact O-CB 3.36Å; D45-K48 PolarHBondContact O-N 3.44Å; D45-K48 PolarHBondContact OD1-N 3.49Å; D45-K48 PolarHBondContact OD2-N 3.28Å; A46-K48 VanDerWaalsContact C-N 3.25Å; A46-K48 PolarHBondContact O-N 3.14Å
49R93.4Very high90.7Very high95 Ų9552.7 Ų52.736%0.35824%0.237SC..  trans-88.2141.3179.9-62.3174.189-165.17112.3N47 E53 R54 T55 C82N47-R49 WeakPolarHBondContact O-CG 3.28Å; N47-R49 PolarHBondContact O-N 3.33Å; N47-R49 VanDerWaalsContact O-N 3.11Å; R49-E53 IonicContact CZ-OE2 3.51Å; R49-E53 VanDerWaalsContact CZ-OE2 3.31Å; R49-E53 PolarHBondContact NE-O 2.76Å; R49-E53 IonicContact NH1-OE2 3.04Å; R49-E53 PolarHBondContact NH1-OE2 2.97Å; R49-E53 IonicContact NH2-OE2 3.31Å; R49-E53 PolarHBondContact NH2-OE2 2.72Å; R49-R54 CarbonylContact C-O 3.56Å; R49-R54 WeakPolarHBondContact CA-O 2.76Å; R49-T55 HydrophobicContact CG-CG2 4.12Å; R49-C82 PolarHBondContact NH2-O 2.96Å
50D91.1Very high90.9Very high9 Ų952.5 Ų52.55%0.04824%0.236CC..  trans-84.3-177.7174.696.5-26000111.2H20 H25 K52 E53 R54H20-D50 VanDerWaalsContact O-CB 3.28Å; H20-D50 WeakPolarHBondContact O-CB 3.47Å; H25-D50 PolarHBondContact CE1-N 3.4Å; D50-K52 PolarHBondContact O-N 3.17Å; D50-K52 VanDerWaalsContact OD1-C 3.3Å; D50-K52 VanDerWaalsContact OD1-CA 3.28Å; D50-K52 WeakPolarHBondContact OD1-CA 3.23Å; D50-K52 WeakPolarHBondContact OD1-CB 3.48Å; D50-K52 PolarHBondContact OD1-N 3.04Å; D50-E53 WeakPolarHBondContact O-CA 3.5Å; D50-E53 PolarHBondContact O-N 2.92Å; D50-E53 PolarHBondContact OD1-N 3.26Å; D50-R54 PolarHBondContact N-O 2.85Å; D50-R54 WeakPolarHBondContact OD1-CB 3.43Å; D50-R54 PolarHBondContact OD1-N 2.96Å; D50-R54 IonicContact OD1-NE 2.66Å; D50-R54 PolarHBondContact OD1-NE 3.14Å; D50-R54 IonicContact OD2-CZ 3.02Å; D50-R54 VanDerWaalsContact OD2-CZ 3.25Å; D50-R54 IonicContact OD2-NE 3.4Å; D50-R54 PolarHBondContact OD2-NE 3.31Å; D50-R54 IonicContact OD2-NH2 3.25Å; D50-R54 PolarHBondContact OD2-NH2 3.21Å
51R89.3Confident91.2Very high145 Ų14551.8 Ų51.855%0.54723%0.232SC..THydrogen-bonded Turntrans-66-15.9179.7-73.2-173.3174.2166.62114.3H20 E53 R84H20-R51 HydrophobicContact CB-CB 4.01Å; H20-R51 PolarHBondContact O-N 2.96Å; R51-E53 VanDerWaalsContact C-N 3.32Å; R51-R84 PolarHBondContact O-NE 3.02Å; R51-R84 VanDerWaalsContact O-NE 3.14Å; R51-R84 PolarHBondContact O-NH1 3.18Å; R51-R84 PolarHBondContact O-NH2 3.4Å
52K88.7Confident91.3Very high66 Ų6647 Ų4729%0.28721%0.21SC..THydrogen-bonded Turntrans-99.917.7172.1-72.9-173.9166.4-172.10111.4Y15 D50 R54 R84Y15-K52 PolarHBondContact O-NZ 2.9Å; D50-K52 PolarHBondContact O-N 3.17Å; D50-K52 VanDerWaalsContact OD1-C 3.3Å; D50-K52 VanDerWaalsContact OD1-CA 3.28Å; D50-K52 WeakPolarHBondContact OD1-CA 3.23Å; D50-K52 WeakPolarHBondContact OD1-CB 3.48Å; D50-K52 PolarHBondContact OD1-N 3.04Å; K52-R54 HydrophobicContact CB-CG 4.06Å; K52-R54 PolarHBondContact O-N 2.65Å; K52-R54 VanDerWaalsContact O-N 3.17Å; K52-R84 WeakPolarHBondContact O-CG 3.12Å; K52-R84 PolarHBondContact O-N 2.68Å
53E93.5Very high91.6Very high74 Ų7446.3 Ų46.335%0.34621%0.205SC..SBendtrans63.913.3-178.7-65.2-171-166.300115.5R49 D50 R51 R84R49-E53 IonicContact CZ-OE2 3.51Å; R49-E53 VanDerWaalsContact CZ-OE2 3.31Å; R49-E53 PolarHBondContact NE-O 2.76Å; R49-E53 IonicContact NH1-OE2 3.04Å; R49-E53 PolarHBondContact NH1-OE2 2.97Å; R49-E53 IonicContact NH2-OE2 3.31Å; R49-E53 PolarHBondContact NH2-OE2 2.72Å; D50-E53 WeakPolarHBondContact O-CA 3.5Å; D50-E53 PolarHBondContact O-N 2.92Å; D50-E53 PolarHBondContact OD1-N 3.26Å; R51-E53 VanDerWaalsContact C-N 3.32Å; E53-R84 HydrophobicContact CB-CG 3.92Å; E53-R84 HydrophobicContact CG-CG 3.77Å
54R93.9Very high92.6Very high3 Ų336.2 Ų36.21%0.01117%0.172CC..  trans-80.6144.6179.7-57.9174.8-66.7177.34.7110Y14 H25 R49 D50 K52 H58 D83Y14-R54 WeakPolarHBondContact OH-CD 3.5Å; Y14-R54 PolarHBondContact OH-NH1 3.35Å; H25-R54 PolarHBondContact NE2-O 3.01Å; R49-R54 CarbonylContact C-O 3.56Å; R49-R54 WeakPolarHBondContact CA-O 2.76Å; D50-R54 PolarHBondContact N-O 2.85Å; D50-R54 WeakPolarHBondContact OD1-CB 3.43Å; D50-R54 PolarHBondContact OD1-N 2.96Å; D50-R54 IonicContact OD1-NE 2.66Å; D50-R54 PolarHBondContact OD1-NE 3.14Å; D50-R54 IonicContact OD2-CZ 3.02Å; D50-R54 VanDerWaalsContact OD2-CZ 3.25Å; D50-R54 IonicContact OD2-NE 3.4Å; D50-R54 PolarHBondContact OD2-NE 3.31Å; D50-R54 IonicContact OD2-NH2 3.25Å; D50-R54 PolarHBondContact OD2-NH2 3.21Å; K52-R54 HydrophobicContact CB-CG 4.06Å; K52-R54 PolarHBondContact O-N 2.65Å; K52-R54 VanDerWaalsContact O-N 3.17Å; R54-H58 HydrophobicContact CB-CB 4.02Å; R54-D83 HydrophobicContact CG-CB 3.69Å
55T96Very high93.2Very high1 Ų134.8 Ų34.81%0.00617%0.168CC..  trans-90.8173.1169670000111.3R49 L57 H58 L59 L81R49-T55 HydrophobicContact CG-CG2 4.12Å; T55-L57 PolarHBondContact O-N 3.14Å; T55-L57 PolarHBondContact OG1-N 3Å; T55-H58 PolarHBondContact N-ND1 3.45Å; T55-H58 PolarHBondContact O-N 2.95Å; T55-H58 PolarHBondContact OG1-N 3.18Å; T55-H58 PolarHBondContact OG1-ND1 3.49Å; T55-L59 PolarHBondContact O-N 3.35Å; T55-L81 HydrophobicContact CG2-CB 4.09Å; T55-L81 HydrophobicContact CG2-CD1 3.69Å
56A95.4Very high93.7Very high0 Ų032.4 Ų32.40%016%0.157CC..Hα-helixtrans-55.3-36.8168.900000112I24 H25 V28 L59 A60 L72I24-A56 HydrophobicContact CD1-CB 4.05Å; I24-A56 HydrophobicContact CG1-CB 3.98Å; I24-A56 HydrophobicContact CG2-CB 4.35Å; H25-A56 PolarHBondContact NE2-N 3.07Å; V28-A56 HydrophobicContact CG2-CB 3.96Å; A56-L59 PolarHBondContact O-N 3.42Å; A56-A60 PolarHBondContact O-N 3.37Å; A56-L72 HydrophobicContact CB-CD1 3.93Å; A56-L72 HydrophobicContact CB-CD2 3.95Å
57L97.4Very high94Very high2 Ų237.5 Ų37.51%0.0118%0.178CC..Hα-helixtrans-66-42.2-179.6-170.761000112.2T55 L59 A60 C61 V69 L72 V73 L79 P89 L105T55-L57 PolarHBondContact O-N 3.14Å; T55-L57 PolarHBondContact OG1-N 3Å; L57-L59 PolarHBondContact O-N 2.98Å; L57-A60 PolarHBondContact O-N 3.34Å; L57-C61 WeakPolarHBondContact O-CB 3.5Å; L57-C61 PolarHBondContact O-N 3.33Å; L57-C61 PolarHBondContact O-SG 3.15Å; L57-V69 HydrophobicContact CD1-CB 4.39Å; L57-V69 HydrophobicContact CD1-CG1 4.04Å; L57-V69 HydrophobicContact CD1-CG2 4.28Å; L57-L72 HydrophobicContact CB-CD1 4.23Å; L57-L72 HydrophobicContact CD1-CB 4.18Å; L57-L72 HydrophobicContact CD1-CD1 4.16Å; L57-V73 HydrophobicContact CD1-CG2 4.35Å; L57-L79 HydrophobicContact CD2-CD2 3.72Å; L57-P89 HydrophobicContact CB-CB 4.49Å; L57-P89 HydrophobicContact CB-CG 4.21Å; L57-P89 HydrophobicContact CD2-CB 4.08Å; L57-P89 HydrophobicContact CD2-CG 3.87Å; L57-P89 HydrophobicContact CG-CB 3.83Å; L57-P89 HydrophobicContact CG-CG 3.91Å; L57-L105 HydrophobicContact CD1-CD2 4.09Å; L57-L105 HydrophobicContact CD2-CD2 3.84Å; L57-L105 HydrophobicContact CG-CD2 4.21Å
58H95.7Very high94.2Very high0 Ų036.3 Ų36.30%017%0.172CC..Hα-helixtrans-55.2-42.3173.4-70.984.2000112.1R54 T55 A62 L81 D83 R87R54-H58 HydrophobicContact CB-CB 4.02Å; T55-H58 PolarHBondContact N-ND1 3.45Å; T55-H58 PolarHBondContact O-N 2.95Å; T55-H58 PolarHBondContact OG1-N 3.18Å; T55-H58 PolarHBondContact OG1-ND1 3.49Å; H58-A62 WeakPolarHBondContact O-CB 3.46Å; H58-A62 PolarHBondContact O-N 3.18Å; H58-L81 PolarHBondContact CE1-O 3.26Å; H58-L81 PolarHBondContact NE2-O 2.82Å; H58-L81 VanDerWaalsContact NE2-O 3.14Å; H58-D83 PolarHBondContact NE2-N 2.77Å; H58-R87 PolarHBondContact NE2-O 2.98Å
59L93.8Very high94.4Very high0 Ų032 Ų320%015%0.153CC..Hα-helixtrans-71.7-39-179.2-60.6-175.8000111.8Y14 I16 L21 H25 V28 T55 A56 L57 C61 A62 T63Y14-L59 HydrophobicContact CE1-CD2 4.16Å; I16-L59 HydrophobicContact CD1-CD2 4.11Å; L21-L59 HydrophobicContact CD2-CD1 3.96Å; H25-L59 HydrophobicContact CB-CD1 3.59Å; V28-L59 HydrophobicContact CG1-CB 3.93Å; T55-L59 PolarHBondContact O-N 3.35Å; A56-L59 PolarHBondContact O-N 3.42Å; L57-L59 PolarHBondContact O-N 2.98Å; L59-C61 VanDerWaalsContact C-N 3.34Å; L59-A62 PolarHBondContact O-N 3.18Å; L59-T63 WeakPolarHBondContact O-CB 2.86Å; L59-T63 WeakPolarHBondContact O-CG2 3.35Å; L59-T63 PolarHBondContact O-N 3.47Å; L59-T63 PolarHBondContact O-OG1 3Å
60A95.9Very high94.5Very high0 Ų033 Ų330%016%0.161CC..Hα-helixtrans-61.5-45.7176.800000110.6V28 A56 L57 T63 G64 Q65 M68 V69 L72V28-A60 HydrophobicContact CG1-CB 3.76Å; A56-A60 PolarHBondContact O-N 3.37Å; L57-A60 PolarHBondContact O-N 3.34Å; A60-T63 PolarHBondContact O-N 3.19Å; A60-T63 PolarHBondContact O-OG1 3.11Å; A60-G64 PolarHBondContact O-N 3.27Å; A60-G64 VanDerWaalsContact O-N 3.08Å; A60-Q65 PolarHBondContact O-N 2.9Å; A60-M68 HydrophobicContact CB-CB 3.81Å; A60-V69 HydrophobicContact CB-CG2 3.7Å; A60-L72 HydrophobicContact CB-CD1 4.27Å
61C96.1Very high94.8Very high0 Ų033.4 Ų33.40%016%0.164CC..Hα-helixtrans-64.8-42.5175.6-67.20000112.5L57 L59 T63 G64 P89 A93 Q98 L105L57-C61 WeakPolarHBondContact O-CB 3.5Å; L57-C61 PolarHBondContact O-N 3.33Å; L57-C61 PolarHBondContact O-SG 3.15Å; L59-C61 VanDerWaalsContact C-N 3.34Å; C61-T63 VanDerWaalsContact C-N 3.29Å; C61-T63 PolarHBondContact O-N 2.98Å; C61-G64 PolarHBondContact O-N 3.02Å; C61-P89 HydrophobicContact CB-CB 4.44Å; C61-P89 WeakPolarHBondContact CB-O 3.45Å; C61-A93 HydrophobicContact CB-CB 4Å; C61-Q98 VanDerWaalsContact O-CG 3.25Å; C61-Q98 WeakPolarHBondContact O-CG 3.22Å; C61-L105 VanDerWaalsContact SG-CD1 3.55Å
62A92.1Very high95.1Very high13 Ų1326.6 Ų26.611%0.10714%0.138CC..Hα-helixtrans-73.6-19.3-179.100000114.2Y14 H58 L59 L96Y14-A62 HydrophobicContact CD1-CB 3.77Å; Y14-A62 HydrophobicContact CE1-CB 3.32Å; Y14-A62 HydrophobicContact CE2-CB 4.38Å; Y14-A62 HydrophobicContact CG-CB 4.46Å; H58-A62 WeakPolarHBondContact O-CB 3.46Å; H58-A62 PolarHBondContact O-N 3.18Å; L59-A62 PolarHBondContact O-N 3.18Å; A62-L96 HydrophobicContact CB-CD1 3.63Å; A62-L96 WeakPolarHBondContact O-CD1 3.31Å
63T90.8Very high95.4Very high52 Ų5224.1 Ų24.132%0.31913%0.129SC..Hα-helixtrans-105.51.9178.756.10000113.1I16 L29 L59 A60 C61 Q65I16-T63 HydrophobicContact CD1-CG2 4.28Å; L29-T63 HydrophobicContact CD1-CG2 4.23Å; L59-T63 WeakPolarHBondContact O-CB 2.86Å; L59-T63 WeakPolarHBondContact O-CG2 3.35Å; L59-T63 PolarHBondContact O-N 3.47Å; L59-T63 PolarHBondContact O-OG1 3Å; A60-T63 PolarHBondContact O-N 3.19Å; A60-T63 PolarHBondContact O-OG1 3.11Å; C61-T63 VanDerWaalsContact C-N 3.29Å; C61-T63 PolarHBondContact O-N 2.98Å; T63-Q65 PolarHBondContact OG1-NE2 3.28Å
64G93.5Very high95.4Very high22 Ų2224 Ų2423%0.22714%0.136CC..THydrogen-bonded Turntrans7139.3174.900000114.5A60 C61 P66A60-G64 PolarHBondContact O-N 3.27Å; A60-G64 VanDerWaalsContact O-N 3.08Å; C61-G64 PolarHBondContact O-N 3.02Å; G64-P66 WeakPolarHBondContact O-CD 3.32Å
65Q95.9Very high95.2Very high31 Ų3129.1 Ų29.115%0.14516%0.155CC..  trans-108.281.5-175.9-65-178.654.600111.7V28 G31 A60 T63 E67 M68 V69V28-Q65 PolarHBondContact O-NE2 3.01Å; V28-Q65 PolarHBondContact O-OE1 3.04Å; G31-Q65 VanDerWaalsContact CA-OE1 3.28Å; A60-Q65 PolarHBondContact O-N 2.9Å; T63-Q65 PolarHBondContact OG1-NE2 3.28Å; Q65-E67 VanDerWaalsContact C-N 3.29Å; Q65-E67 PolarHBondContact O-N 3.36Å; Q65-M68 HydrophobicContact CB-CB 3.98Å; Q65-M68 HydrophobicContact CB-CG 3.79Å; Q65-M68 WeakPolarHBondContact O-CB 3.46Å; Q65-M68 PolarHBondContact O-N 3.31Å; Q65-M68 VanDerWaalsContact O-N 3.12Å; Q65-M68 VanDerWaalsContact OE1-CG 3.29Å; Q65-V69 PolarHBondContact O-N 3.39Å; Q65-V69 VanDerWaalsContact O-N 3.12Å
66P97.1Very high94.8Very high32 Ų3240.1 Ų40.121%0.20820%0.197CC..Hα-helixtrans-62.5-32.2-174.225.1-33.7000113.2G64 M68 V69 H70 A100 L104G64-P66 WeakPolarHBondContact O-CD 3.32Å; P66-M68 VanDerWaalsContact C-N 3.3Å; P66-M68 PolarHBondContact O-N 2.94Å; P66-V69 WeakPolarHBondContact O-CB 3.21Å; P66-V69 PolarHBondContact O-N 3.25Å; P66-H70 WeakPolarHBondContact O-CB 3.3Å; P66-H70 PolarHBondContact O-N 3Å; P66-A100 HydrophobicContact CB-CB 4.21Å; P66-A100 HydrophobicContact CG-CB 4.45Å; P66-L104 HydrophobicContact CB-CD1 3.76Å; P66-L104 WeakPolarHBondContact O-CD1 3.28Å
67E97.5Very high94.7Very high121 Ų12140.8 Ų40.857%0.56520%0.201SC*.Hα-helixtrans-65.1-36.3177.2-60.775.1-164.600111.6Q65 L71Q65-E67 VanDerWaalsContact C-N 3.29Å; Q65-E67 PolarHBondContact O-N 3.36Å; E67-L71 WeakPolarHBondContact O-CB 3.3Å; E67-L71 PolarHBondContact O-N 3.25Å
68M96.8Very high94.6Very high5 Ų545.7 Ų45.73%0.02522%0.224CC..Hα-helixtrans-70.1-41.4175-63.6-67.3-17600111.4G31 L33 L36 A60 Q65 P66 L71 L72G31-M68 VanDerWaalsContact O-CE 3.28Å; G31-M68 WeakPolarHBondContact O-CE 3.45Å; L33-M68 HydrophobicContact CB-CE 3.9Å; L33-M68 HydrophobicContact CB-SD 4.35Å; L33-M68 HydrophobicContact CD1-CE 4.25Å; L33-M68 HydrophobicContact CD1-SD 3.62Å; L33-M68 VanDerWaalsContact N-CE 3.28Å; L36-M68 HydrophobicContact CB-SD 4.26Å; L36-M68 HydrophobicContact CD2-CB 4.35Å; L36-M68 HydrophobicContact CD2-CG 4.48Å; L36-M68 HydrophobicContact CD2-SD 3.36Å; L36-M68 WeakPolarHBondContact CD2-SD 3.49Å; L36-M68 HydrophobicContact CG-SD 4.45Å; A60-M68 HydrophobicContact CB-CB 3.81Å; Q65-M68 HydrophobicContact CB-CB 3.98Å; Q65-M68 HydrophobicContact CB-CG 3.79Å; Q65-M68 WeakPolarHBondContact O-CB 3.46Å; Q65-M68 PolarHBondContact O-N 3.31Å; Q65-M68 VanDerWaalsContact O-N 3.12Å; Q65-M68 VanDerWaalsContact OE1-CG 3.29Å; P66-M68 VanDerWaalsContact C-N 3.3Å; P66-M68 PolarHBondContact O-N 2.94Å; M68-L71 PolarHBondContact O-N 3.07Å; M68-L72 WeakPolarHBondContact O-CB 3.26Å; M68-L72 VanDerWaalsContact O-CG 3.29Å; M68-L72 WeakPolarHBondContact O-CG 3.24Å; M68-L72 PolarHBondContact O-N 3.17Å
69V97.7Very high94.7Very high0 Ų046.7 Ų46.70%023%0.229CC..Hα-helixtrans-58.5-52.1174173.90000109.4L57 A60 Q65 P66 L71 L72 V73 C101 L104 L105L57-V69 HydrophobicContact CD1-CB 4.39Å; L57-V69 HydrophobicContact CD1-CG1 4.04Å; L57-V69 HydrophobicContact CD1-CG2 4.28Å; A60-V69 HydrophobicContact CB-CG2 3.7Å; Q65-V69 PolarHBondContact O-N 3.39Å; Q65-V69 VanDerWaalsContact O-N 3.12Å; P66-V69 WeakPolarHBondContact O-CB 3.21Å; P66-V69 PolarHBondContact O-N 3.25Å; V69-L71 VanDerWaalsContact C-N 3.32Å; V69-L71 PolarHBondContact O-N 3.1Å; V69-L72 PolarHBondContact O-N 3.2Å; V69-L72 VanDerWaalsContact O-N 3.16Å; V69-V73 HydrophobicContact CG1-CG2 3.99Å; V69-V73 WeakPolarHBondContact O-CB 3.33Å; V69-V73 WeakPolarHBondContact O-CG2 3.37Å; V69-V73 PolarHBondContact O-N 3.24Å; V69-C101 HydrophobicContact CG2-CB 4.1Å; V69-L104 HydrophobicContact CB-CD1 4.28Å; V69-L104 HydrophobicContact CG1-CB 3.95Å; V69-L104 HydrophobicContact CG1-CD1 4.18Å; V69-L105 HydrophobicContact CG1-CD2 4.26Å; V69-L105 HydrophobicContact CG1-CG 4.38Å
70H96.9Very high94.8Very high116 Ų11649.6 Ų49.654%0.53724%0.244SC..Hα-helixtrans-55.7-45.8178.7-177.1-86.4000112P66 V73 S74 L104P66-H70 WeakPolarHBondContact O-CB 3.3Å; P66-H70 PolarHBondContact O-N 3Å; H70-V73 PolarHBondContact O-N 2.96Å; H70-S74 WeakPolarHBondContact O-CB 3.42Å; H70-S74 PolarHBondContact O-N 3.38Å; H70-S74 PolarHBondContact O-OG 3.37Å; H70-L104 HydrophobicContact CB-CD1 4.46Å
71L96Very high94.9Very high19 Ų1951.3 Ų51.310%0.09925%0.253CS..Hα-helixtrans-61.9-47.2177.1178.160.2000112.2L33 L36 K37 L40 E67 M68 V69 S74 R75L33-L71 HydrophobicContact CD1-CB 4.3Å; L33-L71 HydrophobicContact CD1-CD2 3.66Å; L36-L71 HydrophobicContact CB-CD2 4.23Å; L36-L71 HydrophobicContact CD2-CD2 3.94Å; L36-L71 HydrophobicContact CG-CD2 3.88Å; K37-L71 HydrophobicContact CB-CD2 4.34Å; K37-L71 HydrophobicContact CG-CD1 4.14Å; K37-L71 HydrophobicContact CG-CD2 3.43Å; K37-L71 VanDerWaalsContact CG-CD2 3.43Å; K37-L71 HydrophobicContact CG-CG 4.46Å; L40-L71 HydrophobicContact CD1-CD2 4.17Å; L40-L71 HydrophobicContact CD1-CG 3.95Å; E67-L71 WeakPolarHBondContact O-CB 3.3Å; E67-L71 PolarHBondContact O-N 3.25Å; M68-L71 PolarHBondContact O-N 3.07Å; V69-L71 VanDerWaalsContact C-N 3.32Å; V69-L71 PolarHBondContact O-N 3.1Å; L71-S74 PolarHBondContact O-N 3.48Å; L71-S74 PolarHBondContact O-OG 3.43Å; L71-R75 WeakPolarHBondContact O-CG 3.4Å; L71-R75 PolarHBondContact O-N 3.35Å
72L95.6Very high94.9Very high1 Ų152.7 Ų52.71%0.00526%0.263CS..Hα-helixtrans-63.7-42.8-179.7-72.6166.1000111.7L36 L40 A56 L57 A60 M68 V69 R75 C77L36-L72 HydrophobicContact CD1-CD2 4.28Å; L36-L72 HydrophobicContact CD2-CD2 4.38Å; L36-L72 HydrophobicContact CD2-CG 4.2Å; L40-L72 HydrophobicContact CD1-CD2 4.09Å; L40-L72 HydrophobicContact CD2-CD2 4.38Å; A56-L72 HydrophobicContact CB-CD1 3.93Å; A56-L72 HydrophobicContact CB-CD2 3.95Å; L57-L72 HydrophobicContact CB-CD1 4.23Å; L57-L72 HydrophobicContact CD1-CB 4.18Å; L57-L72 HydrophobicContact CD1-CD1 4.16Å; A60-L72 HydrophobicContact CB-CD1 4.27Å; M68-L72 WeakPolarHBondContact O-CB 3.26Å; M68-L72 VanDerWaalsContact O-CG 3.29Å; M68-L72 WeakPolarHBondContact O-CG 3.24Å; M68-L72 PolarHBondContact O-N 3.17Å; V69-L72 PolarHBondContact O-N 3.2Å; V69-L72 VanDerWaalsContact O-N 3.16Å; L72-R75 PolarHBondContact O-N 2.89Å; L72-C77 PolarHBondContact O-N 3.01Å; L72-C77 PolarHBondContact O-SG 2.97Å
73V95.4Very high94.9Very high15 Ų1552.3 Ų52.39%0.09126%0.259CS..Hα-helixtrans-65.9-41.6178.31740000111.2L57 V69 H70 R75 R76 L79 L105 N108L57-V73 HydrophobicContact CD1-CG2 4.35Å; V69-V73 HydrophobicContact CG1-CG2 3.99Å; V69-V73 WeakPolarHBondContact O-CB 3.33Å; V69-V73 WeakPolarHBondContact O-CG2 3.37Å; V69-V73 PolarHBondContact O-N 3.24Å; H70-V73 PolarHBondContact O-N 2.96Å; V73-R75 PolarHBondContact O-N 3.35Å; V73-R75 VanDerWaalsContact O-N 3.08Å; V73-R76 WeakPolarHBondContact O-CA 3.39Å; V73-R76 PolarHBondContact O-N 3.05Å; V73-L79 HydrophobicContact CG2-CD2 3.81Å; V73-L105 HydrophobicContact CG2-CD2 4.37Å; V73-N108 HydrophobicContact CG1-CB 3.48Å; V73-N108 VanDerWaalsContact CG1-CB 3.48Å; V73-N108 VanDerWaalsContact CG1-OD1 3.23Å; V73-N108 WeakPolarHBondContact CG1-OD1 3.14Å
74S93.4Very high95Very high70 Ų7057.2 Ų57.249%0.4927%0.272SS..Hα-helixtrans-61.3-20.6175.5750000113.6H70 L71 R76H70-S74 WeakPolarHBondContact O-CB 3.42Å; H70-S74 PolarHBondContact O-N 3.38Å; H70-S74 PolarHBondContact O-OG 3.37Å; L71-S74 PolarHBondContact O-N 3.48Å; L71-S74 PolarHBondContact O-OG 3.43Å; S74-R76 VanDerWaalsContact C-N 3.32Å
75R90.5Very high94.8Very high111 Ų11160 Ų6042%0.41928%0.279SS..THydrogen-bonded Turntrans-91.813.3173.8-63.7-59.3-174.1126-3.5113.7L40 L41 L71 L72 V73 C77L40-R75 HydrophobicContact CB-CG 4.47Å; L40-R75 HydrophobicContact CD1-CG 4.14Å; L41-R75 VanDerWaalsContact CD2-NH2 3.3Å; L71-R75 WeakPolarHBondContact O-CG 3.4Å; L71-R75 PolarHBondContact O-N 3.35Å; L72-R75 PolarHBondContact O-N 2.89Å; V73-R75 PolarHBondContact O-N 3.35Å; V73-R75 VanDerWaalsContact O-N 3.08Å; R75-C77 VanDerWaalsContact C-N 3.28Å; R75-C77 PolarHBondContact O-N 3.43Å
76R87.6Confident94.7Very high233 Ų23362.3 Ų62.388%0.87929%0.292SS*.THydrogen-bonded Turntrans54.340.6178-57.6-174.5176.9-173.3-1.4113.2V73 S74V73-R76 WeakPolarHBondContact O-CA 3.39Å; V73-R76 PolarHBondContact O-N 3.05Å; S74-R76 VanDerWaalsContact C-N 3.32Å
77C92.2Very high94.5Very high13 Ų1361.5 Ų61.59%0.08829%0.285CS..  trans-64.6157.2170.169.20000111.3A46 N47 L72 R75 L79A46-C77 HydrophobicContact CB-CB 3.97Å; N47-C77 WeakPolarHBondContact OD1-CA 3.34Å; N47-C77 WeakPolarHBondContact OD1-CB 3.37Å; L72-C77 PolarHBondContact O-N 3.01Å; L72-C77 PolarHBondContact O-SG 2.97Å; R75-C77 VanDerWaalsContact C-N 3.28Å; R75-C77 PolarHBondContact O-N 3.43Å; C77-L79 PolarHBondContact O-N 3.05Å
78E96Very high94.5Very high105 Ų10555.8 Ų55.849%0.49126%0.258SS..  trans-74.7118.3177.4-74.3168.5-140.500110.1N47 L81N47-E78 VanDerWaalsContact ND2-CD 3.32Å; N47-E78 VanDerWaalsContact ND2-CG 3.32Å; N47-E78 WeakPolarHBondContact ND2-CG 3.28Å; N47-E78 PolarHBondContact ND2-OE1 3.5Å; N47-E78 VanDerWaalsContact ND2-OE1 3.07Å; N47-E78 PolarHBondContact OD1-N 3.34Å; E78-L81 HydrophobicContact CB-CD1 3.77Å; E78-L81 HydrophobicContact CB-CG 3.76Å; E78-L81 VanDerWaalsContact OE2-CD2 3.22Å; E78-L81 WeakPolarHBondContact OE2-CD2 3.28Å; E78-L81 VanDerWaalsContact OE2-CG 3.31Å; E78-L81 WeakPolarHBondContact OE2-CG 3.45Å
79L97.1Very high94.5Very high22 Ų2255.5 Ų55.512%0.11526%0.257CS..THydrogen-bonded Turntrans-80.1-21.9-173.1-53.1-174.9000113.6L57 V73 C77 P89 L105 N108 A110L57-L79 HydrophobicContact CD2-CD2 3.72Å; V73-L79 HydrophobicContact CG2-CD2 3.81Å; C77-L79 PolarHBondContact O-N 3.05Å; L79-P89 VanDerWaalsContact O-CD 3.28Å; L79-P89 WeakPolarHBondContact O-CD 3.41Å; L79-P89 WeakPolarHBondContact O-CG 3.37Å; L79-L105 HydrophobicContact CD2-CD2 4.18Å; L79-N108 HydrophobicContact CD1-CB 3.95Å; L79-N108 WeakPolarHBondContact CD1-O 3.46Å; L79-A110 HydrophobicContact CB-CB 4.14Å; L79-A110 HydrophobicContact CD1-CB 4.31Å
80N97.3Very high94.5Very high60 Ų6055.5 Ų55.532%0.32126%0.257SS..THydrogen-bonded Turntrans-109.28.4-167.9-66.7-20000113.3C82 D111 I114N80-C82 PolarHBondContact O-N 2.96Å; N80-D111 WeakPolarHBondContact ND2-CB 3.39Å; N80-D111 PolarHBondContact OD1-N 3.22Å; N80-I114 HydrophobicContact CB-CD1 3.56Å
81L96.8Very high94.4Very high36 Ų3650 Ų5019%0.18823%0.232CC..  trans-61136.8172.6-76173.5000109.7N47 T55 H58 E78 P89N47-L81 HydrophobicContact CB-CD1 3.76Å; T55-L81 HydrophobicContact CG2-CB 4.09Å; T55-L81 HydrophobicContact CG2-CD1 3.69Å; H58-L81 PolarHBondContact CE1-O 3.26Å; H58-L81 PolarHBondContact NE2-O 2.82Å; H58-L81 VanDerWaalsContact NE2-O 3.14Å; E78-L81 HydrophobicContact CB-CD1 3.77Å; E78-L81 HydrophobicContact CB-CG 3.76Å; E78-L81 VanDerWaalsContact OE2-CD2 3.22Å; E78-L81 WeakPolarHBondContact OE2-CD2 3.28Å; E78-L81 VanDerWaalsContact OE2-CG 3.31Å; E78-L81 WeakPolarHBondContact OE2-CG 3.45Å; L81-P89 VanDerWaalsContact O-CD 3.3Å; L81-P89 WeakPolarHBondContact O-CD 3.5Å
82C95.6Very high94.3Very high29 Ų2949.2 Ų49.220%0.19623%0.227CC..  trans-95.5154.5179.7-57.20000112.3R49 N80 R87R49-C82 PolarHBondContact NH2-O 2.96Å; N80-C82 PolarHBondContact O-N 2.96Å; C82-R87 WeakPolarHBondContact CA-O 3.35Å
83D93.7Very high94.3Very high6 Ų649.2 Ų49.23%0.03223%0.227CC..  trans-84.8-174.1163.575.59.9000111.8R54 H58 E85 D86 R87 K92R54-D83 HydrophobicContact CG-CB 3.69Å; H58-D83 PolarHBondContact NE2-N 2.77Å; D83-E85 PolarHBondContact O-N 3.2Å; D83-E85 VanDerWaalsContact O-N 3.09Å; D83-E85 WeakPolarHBondContact OD1-CA 3.26Å; D83-E85 WeakPolarHBondContact OD1-CB 3.33Å; D83-E85 PolarHBondContact OD1-N 3.49Å; D83-D86 PolarHBondContact O-N 3.06Å; D83-R87 PolarHBondContact N-O 3.47Å; D83-R87 WeakPolarHBondContact OD1-CB 3.21Å; D83-R87 PolarHBondContact OD1-N 3.07Å; D83-R87 VanDerWaalsContact OD1-N 3.17Å; D83-K92 WeakPolarHBondContact OD2-CE 3.28Å; D83-K92 IonicContact OD2-NZ 3.01Å; D83-K92 PolarHBondContact OD2-NZ 2.85Å
84R91.6Very high94.2Very high155 Ų15548.6 Ų48.659%0.58522%0.223SC*.THydrogen-bonded Turntrans-62-13179.8-83.4-175.5-179.6-177.4-7.5115.8R51 K52 E53R51-R84 PolarHBondContact O-NE 3.02Å; R51-R84 VanDerWaalsContact O-NE 3.14Å; R51-R84 PolarHBondContact O-NH1 3.18Å; R51-R84 PolarHBondContact O-NH2 3.4Å; K52-R84 WeakPolarHBondContact O-CG 3.12Å; K52-R84 PolarHBondContact O-N 2.68Å; E53-R84 HydrophobicContact CB-CG 3.92Å; E53-R84 HydrophobicContact CG-CG 3.77Å
85E89.5Confident94.1Very high80 Ų8045.8 Ų45.837%0.37420%0.202SC..THydrogen-bonded Turntrans-103.618.1177.2-59.3171.7139.500110.5D83 R87 K92 D116 V117D83-E85 PolarHBondContact O-N 3.2Å; D83-E85 VanDerWaalsContact O-N 3.09Å; D83-E85 WeakPolarHBondContact OD1-CA 3.26Å; D83-E85 WeakPolarHBondContact OD1-CB 3.33Å; D83-E85 PolarHBondContact OD1-N 3.49Å; E85-R87 HydrophobicContact CB-CG 4.07Å; E85-R87 VanDerWaalsContact CD-NH1 3.29Å; E85-R87 PolarHBondContact O-N 2.8Å; E85-R87 VanDerWaalsContact O-N 3.15Å; E85-R87 IonicContact OE1-NH1 2.68Å; E85-R87 IonicContact OE2-CZ 3.89Å; E85-R87 IonicContact OE2-NE 3.55Å; E85-R87 IonicContact OE2-NH1 3.35Å; E85-R87 PolarHBondContact OE2-NH1 3.41Å; E85-K92 IonicContact OE2-NZ 2.65Å; E85-K92 PolarHBondContact OE2-NZ 3.11Å; E85-D116 WeakPolarHBondContact O-CB 3.19Å; E85-V117 VanDerWaalsContact C-CG1 3.49Å; E85-V117 HydrophobicContact CB-CG2 4.39Å; E85-V117 WeakPolarHBondContact O-CG1 3.48Å; E85-V117 PolarHBondContact O-N 3.01Å
86D93.6Very high94.1Very high80 Ų8042.7 Ų42.743%0.42819%0.194SC..SBendtrans55.921.9-172.4-63.4-29.5000113.6D83 V117D83-D86 PolarHBondContact O-N 3.06Å; D86-V117 HydrophobicContact CB-CG1 3.94Å; D86-V117 VanDerWaalsContact OD2-CG1 3.28Å; D86-V117 WeakPolarHBondContact OD2-CG1 3.09Å
87R93.6Very high94.4Very high14 Ų1438.2 Ų38.25%0.05318%0.177CC..  trans-88.9128.2-178.9-66.4171.3170.9164.6-11.4110H58 C82 D83 E85 I91 K92 D116 Y125H58-R87 PolarHBondContact NE2-O 2.98Å; C82-R87 WeakPolarHBondContact CA-O 3.35Å; D83-R87 PolarHBondContact N-O 3.47Å; D83-R87 WeakPolarHBondContact OD1-CB 3.21Å; D83-R87 PolarHBondContact OD1-N 3.07Å; D83-R87 VanDerWaalsContact OD1-N 3.17Å; E85-R87 HydrophobicContact CB-CG 4.07Å; E85-R87 VanDerWaalsContact CD-NH1 3.29Å; E85-R87 PolarHBondContact O-N 2.8Å; E85-R87 VanDerWaalsContact O-N 3.15Å; E85-R87 IonicContact OE1-NH1 2.68Å; E85-R87 IonicContact OE2-CZ 3.89Å; E85-R87 IonicContact OE2-NE 3.55Å; E85-R87 IonicContact OE2-NH1 3.35Å; E85-R87 PolarHBondContact OE2-NH1 3.41Å; R87-I91 HydrophobicContact CB-CB 4.32Å; R87-I91 HydrophobicContact CB-CG2 4.03Å; R87-I91 HydrophobicContact CG-CG2 3.91Å; R87-K92 HydrophobicContact CB-CD 4.36Å; R87-K92 HydrophobicContact CB-CG 4.45Å; R87-D116 HydrophobicContact CG-CB 3.58Å; R87-D116 IonicContact NE-OD2 3.81Å; R87-D116 IonicContact NH2-OD2 2.88Å; R87-Y125 PolarHBondContact NE-OH 2.87Å; R87-Y125 PolarHBondContact NH2-OH 3.45Å
88T97.1Very high94.5Very high1 Ų140.6 Ų40.61%0.00619%0.187CC..  trans-76.2164.5171.365.10000111.6L90 I91 K92 I114T88-L90 PolarHBondContact O-N 3.29Å; T88-L90 PolarHBondContact OG1-N 3.44Å; T88-I91 PolarHBondContact O-N 3.33Å; T88-I91 WeakPolarHBondContact OG1-CG1 3.5Å; T88-I91 PolarHBondContact OG1-N 3.08Å; T88-I91 VanDerWaalsContact OG1-N 3.15Å; T88-K92 PolarHBondContact O-N 2.89Å; T88-I114 HydrophobicContact CG2-CB 3.75Å; T88-I114 HydrophobicContact CG2-CD1 3.73Å; T88-I114 HydrophobicContact CG2-CG1 4.33Å; T88-I114 HydrophobicContact CG2-CG2 3.48Å; T88-I114 VanDerWaalsContact CG2-CG2 3.48Å
89P97.2Very high94.5Very high0 Ų039 Ų390%018%0.179CC..Hα-helixtrans-54.3-35.4169.2-25.933.3000113.3L57 C61 L79 L81 K92 A93 L105L57-P89 HydrophobicContact CB-CB 4.49Å; L57-P89 HydrophobicContact CB-CG 4.21Å; L57-P89 HydrophobicContact CD2-CB 4.08Å; L57-P89 HydrophobicContact CD2-CG 3.87Å; L57-P89 HydrophobicContact CG-CB 3.83Å; L57-P89 HydrophobicContact CG-CG 3.91Å; C61-P89 HydrophobicContact CB-CB 4.44Å; C61-P89 WeakPolarHBondContact CB-O 3.45Å; L79-P89 VanDerWaalsContact O-CD 3.28Å; L79-P89 WeakPolarHBondContact O-CD 3.41Å; L79-P89 WeakPolarHBondContact O-CG 3.37Å; L81-P89 VanDerWaalsContact O-CD 3.3Å; L81-P89 WeakPolarHBondContact O-CD 3.5Å; P89-K92 PolarHBondContact O-N 3.36Å; P89-A93 WeakPolarHBondContact O-CB 3.43Å; P89-A93 PolarHBondContact O-N 3.46Å; P89-L105 HydrophobicContact CB-CD1 3.92Å
90L97.7Very high94.5Very high0 Ų040.5 Ų40.50%020%0.196CC..Hα-helixtrans-65.8-47.5176.5178.561.5000111.3T88 K92 A93 V94 A102 L105 L106 A110 P112 A122 L138T88-L90 PolarHBondContact O-N 3.29Å; T88-L90 PolarHBondContact OG1-N 3.44Å; L90-K92 VanDerWaalsContact C-N 3.26Å; L90-K92 PolarHBondContact O-N 2.9Å; L90-A93 PolarHBondContact O-N 3.32Å; L90-V94 HydrophobicContact CD1-CG2 4.18Å; L90-V94 WeakPolarHBondContact O-CG2 3.45Å; L90-V94 PolarHBondContact O-N 3.47Å; L90-A102 HydrophobicContact CD1-CB 3.96Å; L90-L105 HydrophobicContact CB-CD1 4Å; L90-L105 HydrophobicContact CD1-CB 4.33Å; L90-L105 HydrophobicContact CD1-CD1 4.43Å; L90-L106 HydrophobicContact CD1-CD2 4.15Å; L90-L106 HydrophobicContact CD1-CG 3.99Å; L90-L106 HydrophobicContact CD2-CD2 3.66Å; L90-L106 HydrophobicContact CD2-CG 4.4Å; L90-A110 HydrophobicContact CB-CB 4.47Å; L90-A110 HydrophobicContact CD2-CB 4.29Å; L90-P112 HydrophobicContact CD2-CB 3.99Å; L90-A122 HydrophobicContact CD2-CB 4.32Å; L90-A122 HydrophobicContact CG-CB 4.11Å; L90-L138 HydrophobicContact CD2-CD2 4.36Å
91I94.6Very high94.5Very high1 Ų137.7 Ų37.71%0.00518%0.181CC..Hα-helixtrans-56.6-44174.2-69.1170.5000110.1R87 T88 V94 Q95 I114 D116 A122 Y125R87-I91 HydrophobicContact CB-CB 4.32Å; R87-I91 HydrophobicContact CB-CG2 4.03Å; R87-I91 HydrophobicContact CG-CG2 3.91Å; T88-I91 PolarHBondContact O-N 3.33Å; T88-I91 WeakPolarHBondContact OG1-CG1 3.5Å; T88-I91 PolarHBondContact OG1-N 3.08Å; T88-I91 VanDerWaalsContact OG1-N 3.15Å; I91-V94 PolarHBondContact O-N 2.97Å; I91-Q95 WeakPolarHBondContact O-CB 3.16Å; I91-Q95 PolarHBondContact O-N 2.84Å; I91-I114 WeakPolarHBondContact CD1-O 3.25Å; I91-D116 HydrophobicContact CD1-CB 4.46Å; I91-A122 HydrophobicContact CG1-CB 4.37Å; I91-Y125 HydrophobicContact CG2-CD2 3.79Å; I91-Y125 HydrophobicContact CG2-CE2 3.48Å; I91-Y125 VanDerWaalsContact CG2-CE2 3.48Å
92K93.5Very high94.6Very high2 Ų236 Ų361%0.00917%0.172CC..Hα-helixtrans-64.1-41.5177.9-68.9-61.8-177.4-174.50113Y14 D83 E85 R87 T88 P89 L90 L96Y14-K92 HydrophobicContact CE2-CD 4.03Å; D83-K92 WeakPolarHBondContact OD2-CE 3.28Å; D83-K92 IonicContact OD2-NZ 3.01Å; D83-K92 PolarHBondContact OD2-NZ 2.85Å; E85-K92 IonicContact OE2-NZ 2.65Å; E85-K92 PolarHBondContact OE2-NZ 3.11Å; R87-K92 HydrophobicContact CB-CD 4.36Å; R87-K92 HydrophobicContact CB-CG 4.45Å; T88-K92 PolarHBondContact O-N 2.89Å; P89-K92 PolarHBondContact O-N 3.36Å; L90-K92 VanDerWaalsContact C-N 3.26Å; L90-K92 PolarHBondContact O-N 2.9Å; K92-L96 WeakPolarHBondContact O-CB 3.45Å; K92-L96 PolarHBondContact O-N 3.19Å; K92-L96 VanDerWaalsContact O-N 3.1Å
93A95.7Very high94.6Very high0 Ų036 Ų360%017%0.171CC..Hα-helixtrans-60.8-48.7176.700000110.9C61 P89 L90 L96 R97 Q98 C101 A102C61-A93 HydrophobicContact CB-CB 4Å; P89-A93 WeakPolarHBondContact O-CB 3.43Å; P89-A93 PolarHBondContact O-N 3.46Å; L90-A93 PolarHBondContact O-N 3.32Å; A93-L96 CarbonylContact O-C 3.49Å; A93-L96 PolarHBondContact O-N 2.96Å; A93-R97 PolarHBondContact O-N 3.17Å; A93-R97 VanDerWaalsContact O-N 3.12Å; A93-Q98 HydrophobicContact CB-CB 4.35Å; A93-Q98 PolarHBondContact O-N 3.32Å; A93-C101 HydrophobicContact CB-CB 4.16Å; A93-A102 HydrophobicContact CB-CB 3.81Å
94V94.4Very high94.8Very high2 Ų237.3 Ų37.31%0.01218%0.178CC..Hα-helixtrans-68.9-44.7-179177.50000111.7L90 I91 L96 R97 A102 A122 A126 N129 M134 L138L90-V94 HydrophobicContact CD1-CG2 4.18Å; L90-V94 WeakPolarHBondContact O-CG2 3.45Å; L90-V94 PolarHBondContact O-N 3.47Å; I91-V94 PolarHBondContact O-N 2.97Å; V94-L96 PolarHBondContact O-N 3.28Å; V94-R97 PolarHBondContact O-N 2.89Å; V94-R97 VanDerWaalsContact O-N 3.08Å; V94-A102 HydrophobicContact CG2-CB 3.95Å; V94-A122 WeakPolarHBondContact CG1-O 3.37Å; V94-A122 HydrophobicContact CG2-CB 4.19Å; V94-A126 HydrophobicContact CG1-CB 3.81Å; V94-N129 PolarHBondContact O-ND2 3.33Å; V94-M134 HydrophobicContact CB-CG 4.49Å; V94-M134 HydrophobicContact CG1-CG 3.9Å; V94-M134 HydrophobicContact CG2-CG 3.86Å; V94-M134 HydrophobicContact CG2-SD 3.79Å; V94-L138 HydrophobicContact CG2-CD1 4.48Å
95Q90.9Very high95.1Very high11 Ų1130 Ų305%0.05115%0.15CC..Hα-helixtrans-53.3-42.4176.2-178.5179.123.300111.2F11 I91 Y125 N129F11-Q95 HydrophobicContact CD1-CG 4.08Å; F11-Q95 HydrophobicContact CE1-CG 3.72Å; F11-Q95 WeakPolarHBondContact CE1-O 3.38Å; I91-Q95 WeakPolarHBondContact O-CB 3.16Å; I91-Q95 PolarHBondContact O-N 2.84Å; Q95-Y125 HydrophobicContact CB-CD1 3.86Å; Q95-Y125 HydrophobicContact CB-CE1 4.19Å; Q95-Y125 HydrophobicContact CB-CG 4.19Å; Q95-Y125 HydrophobicContact CG-CD1 3.76Å; Q95-Y125 HydrophobicContact CG-CE1 3.78Å; Q95-N129 PolarHBondContact O-ND2 3.42Å
96L91.3Very high95.4Very high47 Ų4726.3 Ų26.325%0.24613%0.133CC..THydrogen-bonded Turntrans-97.316-177.1-62.9169.9000113.6Y14 A62 K92 A93 V94 Q98Y14-L96 HydrophobicContact CG-CD1 4.38Å; A62-L96 HydrophobicContact CB-CD1 3.63Å; A62-L96 WeakPolarHBondContact O-CD1 3.31Å; K92-L96 WeakPolarHBondContact O-CB 3.45Å; K92-L96 PolarHBondContact O-N 3.19Å; K92-L96 VanDerWaalsContact O-N 3.1Å; A93-L96 CarbonylContact O-C 3.49Å; A93-L96 PolarHBondContact O-N 2.96Å; V94-L96 PolarHBondContact O-N 3.28Å; L96-Q98 VanDerWaalsContact C-N 3.27Å; L96-Q98 HydrophobicContact CB-CG 4.15Å; L96-Q98 WeakPolarHBondContact O-CG 3.49Å; L96-Q98 PolarHBondContact O-N 3.1Å; L96-Q98 PolarHBondContact O-NE2 3.23Å
97R93.2Very high95.5Very high138 Ų13828.5 Ų28.552%0.52114%0.141SC..THydrogen-bonded Turntrans57.134.9176.1-56.8175.9178.3-100.63.4114A93 V94 E99 N129A93-R97 PolarHBondContact O-N 3.17Å; A93-R97 VanDerWaalsContact O-N 3.12Å; V94-R97 PolarHBondContact O-N 2.89Å; V94-R97 VanDerWaalsContact O-N 3.08Å; R97-E99 PolarHBondContact O-N 3.42Å; R97-N129 HydrophobicContact CG-CB 4.5Å; R97-N129 VanDerWaalsContact CZ-CB 3.49Å; R97-N129 PolarHBondContact NE-OD1 3.4Å; R97-N129 PolarHBondContact NH1-O 3.41Å; R97-N129 PolarHBondContact NH2-O 3.34Å; R97-N129 PolarHBondContact NH2-OD1 2.82Å
98Q95.3Very high95.7Very high64 Ų6431.9 Ų31.930%0.29916%0.16SC..  trans-92.568.3179.5-55.6-56.5-32.500110.5C61 A93 L96 A100 C101 A102C61-Q98 VanDerWaalsContact O-CG 3.25Å; C61-Q98 WeakPolarHBondContact O-CG 3.22Å; A93-Q98 HydrophobicContact CB-CB 4.35Å; A93-Q98 PolarHBondContact O-N 3.32Å; L96-Q98 VanDerWaalsContact C-N 3.27Å; L96-Q98 HydrophobicContact CB-CG 4.15Å; L96-Q98 WeakPolarHBondContact O-CG 3.49Å; L96-Q98 PolarHBondContact O-N 3.1Å; L96-Q98 PolarHBondContact O-NE2 3.23Å; Q98-A100 VanDerWaalsContact C-N 3.33Å; Q98-A100 PolarHBondContact O-N 2.95Å; Q98-C101 HydrophobicContact CB-CB 4.13Å; Q98-C101 WeakPolarHBondContact O-CB 3.23Å; Q98-C101 PolarHBondContact O-N 3.08Å; Q98-C101 VanDerWaalsContact O-N 3.09Å; Q98-A102 PolarHBondContact O-N 2.78Å
99E95.3Very high95.6Very high70 Ų7034.5 Ų34.533%0.32719%0.187SC..Hα-helixtrans-55.8-42.4-171.3179.3175.5-174.800113.6R97 C101 A102 T103 S133 M134 K137R97-E99 PolarHBondContact O-N 3.42Å; E99-C101 VanDerWaalsContact C-N 3.34Å; E99-C101 PolarHBondContact O-N 3.18Å; E99-A102 PolarHBondContact O-N 3.28Å; E99-T103 WeakPolarHBondContact O-CB 3.49Å; E99-T103 PolarHBondContact O-N 2.78Å; E99-T103 PolarHBondContact O-OG1 3.12Å; E99-S133 PolarHBondContact OE1-OG 2.89Å; E99-M134 HydrophobicContact CB-CE 4.02Å; E99-M134 HydrophobicContact CG-CE 3.72Å; E99-K137 IonicContact OE1-NZ 3.39Å; E99-K137 PolarHBondContact OE1-NZ 3.46Å
100A97Very high95.6Very high55 Ų5534.8 Ų34.846%0.45519%0.189SC..Hα-helixtrans-62.4-41.8178.600000111.8P66 Q98 L104P66-A100 HydrophobicContact CB-CB 4.21Å; P66-A100 HydrophobicContact CG-CB 4.45Å; Q98-A100 VanDerWaalsContact C-N 3.33Å; Q98-A100 PolarHBondContact O-N 2.95Å; A100-L104 WeakPolarHBondContact O-CG 3.31Å; A100-L104 PolarHBondContact O-N 3.48Å; A100-L104 VanDerWaalsContact O-N 3.09Å
101C97.8Very high95.5Very high1 Ų137.8 Ų37.81%0.00721%0.205CC..Hα-helixtrans-67.5-43.9177-67.30000111.5V69 A93 Q98 E99 L104 L105V69-C101 HydrophobicContact CG2-CB 4.1Å; A93-C101 HydrophobicContact CB-CB 4.16Å; Q98-C101 HydrophobicContact CB-CB 4.13Å; Q98-C101 WeakPolarHBondContact O-CB 3.23Å; Q98-C101 PolarHBondContact O-N 3.08Å; Q98-C101 VanDerWaalsContact O-N 3.09Å; E99-C101 VanDerWaalsContact C-N 3.34Å; E99-C101 PolarHBondContact O-N 3.18Å; C101-L104 PolarHBondContact O-N 3.4Å; C101-L105 WeakPolarHBondContact O-CG 2.94Å; C101-L105 PolarHBondContact O-N 2.85Å; C101-L105 VanDerWaalsContact O-N 3.07Å
102A97.4Very high95.4Very high0 Ų038 Ų380%021%0.207CC..Hα-helixtrans-62.5-43.4177.500000111.7L90 A93 V94 Q98 E99 L104 L105 L106 M134L90-A102 HydrophobicContact CD1-CB 3.96Å; A93-A102 HydrophobicContact CB-CB 3.81Å; V94-A102 HydrophobicContact CG2-CB 3.95Å; Q98-A102 PolarHBondContact O-N 2.78Å; E99-A102 PolarHBondContact O-N 3.28Å; A102-L104 PolarHBondContact O-N 3.16Å; A102-L105 PolarHBondContact O-N 3.34Å; A102-L106 WeakPolarHBondContact O-CG 3.43Å; A102-L106 PolarHBondContact O-N 3.3Å; A102-M134 HydrophobicContact CB-CE 3.51Å; A102-M134 HydrophobicContact CB-SD 3.88Å
103T96.8Very high95.3Very high28 Ų2840.3 Ų40.317%0.17222%0.219CC..Hα-helixtrans-60.4-45.8177-54.70000111E99 L105 L106 Q107 K137E99-T103 WeakPolarHBondContact O-CB 3.49Å; E99-T103 PolarHBondContact O-N 2.78Å; E99-T103 PolarHBondContact O-OG1 3.12Å; T103-L105 VanDerWaalsContact C-N 3.32Å; T103-L105 PolarHBondContact O-N 2.99Å; T103-L106 PolarHBondContact O-N 3.38Å; T103-Q107 HydrophobicContact CG2-CG 4.43Å; T103-Q107 WeakPolarHBondContact O-CB 3.28Å; T103-Q107 VanDerWaalsContact O-CG 3.28Å; T103-Q107 WeakPolarHBondContact O-CG 3.44Å; T103-Q107 PolarHBondContact O-N 2.79Å; T103-K137 PolarHBondContact OG1-NZ 3.33Å; T103-K137 VanDerWaalsContact OG1-NZ 3.11Å
104L97.5Very high95.2Very high35 Ų3542.2 Ų42.218%0.18323%0.229CC..Hα-helixtrans-60.2-40.3176.5-76.3171.9000112.5P66 V69 H70 A100 C101 A102 N108P66-L104 HydrophobicContact CB-CD1 3.76Å; P66-L104 WeakPolarHBondContact O-CD1 3.28Å; V69-L104 HydrophobicContact CB-CD1 4.28Å; V69-L104 HydrophobicContact CG1-CB 3.95Å; V69-L104 HydrophobicContact CG1-CD1 4.18Å; H70-L104 HydrophobicContact CB-CD1 4.46Å; A100-L104 WeakPolarHBondContact O-CG 3.31Å; A100-L104 PolarHBondContact O-N 3.48Å; A100-L104 VanDerWaalsContact O-N 3.09Å; C101-L104 PolarHBondContact O-N 3.4Å; A102-L104 PolarHBondContact O-N 3.16Å; L104-N108 PolarHBondContact O-N 3.32Å; L104-N108 PolarHBondContact O-ND2 2.99Å
105L97.5Very high94.9Very high0 Ų044.5 Ų44.50%024%0.243CC..Hα-helixtrans-65.6-47.2177.4-73.2177.1000112.1L57 C61 V69 V73 L79 P89 L90 C101 A102 T103 Q107 N108 G109 A110L57-L105 HydrophobicContact CD1-CD2 4.09Å; L57-L105 HydrophobicContact CD2-CD2 3.84Å; L57-L105 HydrophobicContact CG-CD2 4.21Å; C61-L105 VanDerWaalsContact SG-CD1 3.55Å; V69-L105 HydrophobicContact CG1-CD2 4.26Å; V69-L105 HydrophobicContact CG1-CG 4.38Å; V73-L105 HydrophobicContact CG2-CD2 4.37Å; L79-L105 HydrophobicContact CD2-CD2 4.18Å; P89-L105 HydrophobicContact CB-CD1 3.92Å; L90-L105 HydrophobicContact CB-CD1 4Å; L90-L105 HydrophobicContact CD1-CB 4.33Å; L90-L105 HydrophobicContact CD1-CD1 4.43Å; C101-L105 WeakPolarHBondContact O-CG 2.94Å; C101-L105 PolarHBondContact O-N 2.85Å; C101-L105 VanDerWaalsContact O-N 3.07Å; A102-L105 PolarHBondContact O-N 3.34Å; T103-L105 VanDerWaalsContact C-N 3.32Å; T103-L105 PolarHBondContact O-N 2.99Å; L105-Q107 PolarHBondContact O-N 3.07Å; L105-N108 CarbonylContact O-C 3.51Å; L105-N108 PolarHBondContact O-N 3.39Å; L105-N108 VanDerWaalsContact O-N 3.1Å; L105-G109 PolarHBondContact O-N 3.34Å; L105-A110 HydrophobicContact CB-CB 3.79Å; L105-A110 VanDerWaalsContact O-CB 3.3Å; L105-A110 WeakPolarHBondContact O-CB 3.5Å; L105-A110 PolarHBondContact O-N 3.4Å
106L96.7Very high94.8Very high4 Ų444.2 Ų44.22%0.02124%0.242CC..Hα-helixtrans-61.2-44179.2-70.9171.9000111.8L90 A102 T103 N108 G109 P112 K137 L138 H141L90-L106 HydrophobicContact CD1-CD2 4.15Å; L90-L106 HydrophobicContact CD1-CG 3.99Å; L90-L106 HydrophobicContact CD2-CD2 3.66Å; L90-L106 HydrophobicContact CD2-CG 4.4Å; A102-L106 WeakPolarHBondContact O-CG 3.43Å; A102-L106 PolarHBondContact O-N 3.3Å; T103-L106 PolarHBondContact O-N 3.38Å; L106-N108 PolarHBondContact O-N 2.96Å; L106-G109 PolarHBondContact O-N 2.98Å; L106-P112 HydrophobicContact CD2-CB 4.26Å; L106-K137 HydrophobicContact CD1-CB 4.31Å; L106-L138 HydrophobicContact CD1-CD2 3.99Å; L106-L138 HydrophobicContact CD1-CG 4.49Å; L106-L138 HydrophobicContact CD2-CD2 4.01Å; L106-H141 HydrophobicContact CD2-CB 3.97Å; L106-H141 PolarHBondContact O-CE1 3.08Å; L106-H141 PolarHBondContact O-ND1 2.87Å
107Q96.1Very high94.6Very high125 Ų12545.6 Ų45.658%0.58425%0.252SS*.Hα-helixtrans-61.1-24176-74.2175.5-17.900113.4T103 L105T103-Q107 HydrophobicContact CG2-CG 4.43Å; T103-Q107 WeakPolarHBondContact O-CB 3.28Å; T103-Q107 VanDerWaalsContact O-CG 3.28Å; T103-Q107 WeakPolarHBondContact O-CG 3.44Å; T103-Q107 PolarHBondContact O-N 2.79Å; L105-Q107 PolarHBondContact O-N 3.07Å
108N96.6Very high94.1Very high86 Ų8644.7 Ų44.746%0.4625%0.252SS..THydrogen-bonded Turntrans-102.513.7178.9-72.9-90.9000113.1V73 L79 L104 L105 L106V73-N108 HydrophobicContact CG1-CB 3.48Å; V73-N108 VanDerWaalsContact CG1-CB 3.48Å; V73-N108 VanDerWaalsContact CG1-OD1 3.23Å; V73-N108 WeakPolarHBondContact CG1-OD1 3.14Å; L79-N108 HydrophobicContact CD1-CB 3.95Å; L79-N108 WeakPolarHBondContact CD1-O 3.46Å; L104-N108 PolarHBondContact O-N 3.32Å; L104-N108 PolarHBondContact O-ND2 2.99Å; L105-N108 CarbonylContact O-C 3.51Å; L105-N108 PolarHBondContact O-N 3.39Å; L105-N108 VanDerWaalsContact O-N 3.1Å; L106-N108 PolarHBondContact O-N 2.96Å
109G94.8Very high93.6Very high56 Ų5643.3 Ų43.358%0.57726%0.255SS*.THydrogen-bonded Turntrans83.626.7171.700000114.9L105 L106L105-G109 PolarHBondContact O-N 3.34Å; L106-G109 PolarHBondContact O-N 2.98Å
110A96.7Very high93.1Very high6 Ų640.2 Ų40.25%0.0524%0.241CC..  trans-61.9138.5165.900000110.3L79 L90 L105 P112L79-A110 HydrophobicContact CB-CB 4.14Å; L79-A110 HydrophobicContact CD1-CB 4.31Å; L90-A110 HydrophobicContact CB-CB 4.47Å; L90-A110 HydrophobicContact CD2-CB 4.29Å; L105-A110 HydrophobicContact CB-CB 3.79Å; L105-A110 VanDerWaalsContact O-CB 3.3Å; L105-A110 WeakPolarHBondContact O-CB 3.5Å; L105-A110 PolarHBondContact O-N 3.4Å; A110-P112 WeakPolarHBondContact O-CD 3.39Å
111D95.8Very high92.8Very high62 Ų6237.6 Ų37.633%0.33222%0.219SC..  trans-83.1115.2-177.9-176.7-4.4000110.4N80 N113 I114N80-D111 WeakPolarHBondContact ND2-CB 3.39Å; N80-D111 PolarHBondContact OD1-N 3.22Å; D111-N113 VanDerWaalsContact C-N 3.27Å; D111-N113 PolarHBondContact O-N 3.47Å; D111-N113 WeakPolarHBondContact OD1-CB 3.42Å; D111-N113 PolarHBondContact OD1-N 3.09Å; D111-N113 PolarHBondContact OD1-ND2 3.11Å; D111-I114 HydrophobicContact CB-CD1 3.88Å; D111-I114 HydrophobicContact CB-CG1 4.07Å
112P93.8Very high92.5Very high7 Ų737.6 Ų37.65%0.04522%0.219CC..THydrogen-bonded Turntrans-77.6-10.5-179.734.3-36.8000114L90 L106 A110 L138 T143L90-P112 HydrophobicContact CD2-CB 3.99Å; L106-P112 HydrophobicContact CD2-CB 4.26Å; A110-P112 WeakPolarHBondContact O-CD 3.39Å; P112-L138 HydrophobicContact CB-CD2 3.85Å; P112-T143 VanDerWaalsContact CB-OG1 3.28Å; P112-T143 WeakPolarHBondContact CB-OG1 3.46Å; P112-T143 WeakPolarHBondContact CG-OG1 3.41Å
113N91.6Very high92.1Very high49 Ų4937.9 Ų37.926%0.26222%0.22SC..THydrogen-bonded Turntrans-91.3-7.1-173.7-60.6-56.7000113.7D111 T115 G142 T143 N144D111-N113 VanDerWaalsContact C-N 3.27Å; D111-N113 PolarHBondContact O-N 3.47Å; D111-N113 WeakPolarHBondContact OD1-CB 3.42Å; D111-N113 PolarHBondContact OD1-N 3.09Å; D111-N113 PolarHBondContact OD1-ND2 3.11Å; N113-T115 PolarHBondContact O-N 3.22Å; N113-G142 PolarHBondContact ND2-O 2.66Å; N113-G142 VanDerWaalsContact ND2-O 3.12Å; N113-T143 WeakPolarHBondContact OD1-CA 3Å; N113-N144 PolarHBondContact OD1-N 2.7Å
114I92.1Very high91.6Very high40 Ų4036.9 Ų36.921%0.20521%0.214CC..  trans-63.6137175.4-62.3170.7000109.1N80 T88 I91 D111N80-I114 HydrophobicContact CB-CD1 3.56Å; T88-I114 HydrophobicContact CG2-CB 3.75Å; T88-I114 HydrophobicContact CG2-CD1 3.73Å; T88-I114 HydrophobicContact CG2-CG1 4.33Å; T88-I114 HydrophobicContact CG2-CG2 3.48Å; T88-I114 VanDerWaalsContact CG2-CG2 3.48Å; I91-I114 WeakPolarHBondContact CD1-O 3.25Å; D111-I114 HydrophobicContact CB-CD1 3.88Å; D111-I114 HydrophobicContact CB-CG1 4.07Å
115T89.7Confident91Very high51 Ų5135.2 Ų35.231%0.31321%0.205SC..  trans-104.8147.3-179.450.50000111.6N113 R120 T121N113-T115 PolarHBondContact O-N 3.22Å; T115-R120 WeakPolarHBondContact CA-O 3.49Å; T115-T121 HydrophobicContact CG2-CG2 3.61Å
116D88.8Confident90.6Very high5 Ų535.2 Ų35.23%0.02721%0.205CC..  trans-78.4179.1168.379.6-5.2000112E85 R87 I91 F118 G119 R120 Y125E85-D116 WeakPolarHBondContact O-CB 3.19Å; R87-D116 HydrophobicContact CG-CB 3.58Å; R87-D116 IonicContact NE-OD2 3.81Å; R87-D116 IonicContact NH2-OD2 2.88Å; I91-D116 HydrophobicContact CD1-CB 4.46Å; D116-F118 PolarHBondContact O-N 2.64Å; D116-F118 WeakPolarHBondContact OD1-CA 3.29Å; D116-F118 WeakPolarHBondContact OD1-CB 3.47Å; D116-F118 PolarHBondContact OD1-N 3.19Å; D116-G119 PolarHBondContact O-N 2.99Å; D116-G119 PolarHBondContact OD1-N 3.25Å; D116-R120 PolarHBondContact N-O 3.33Å; D116-R120 WeakPolarHBondContact OD1-CB 3.34Å; D116-R120 PolarHBondContact OD1-N 3.44Å; D116-R120 IonicContact OD1-NE 3.45Å; D116-R120 PolarHBondContact OD1-NE 3.24Å; D116-R120 IonicContact OD2-CZ 3.52Å; D116-R120 VanDerWaalsContact OD2-CZ 3.31Å; D116-R120 IonicContact OD2-NE 2.72Å; D116-R120 PolarHBondContact OD2-NE 3.25Å; D116-R120 IonicContact OD2-NH2 3.31Å; D116-R120 PolarHBondContact OD2-NH2 3.41Å; D116-Y125 PolarHBondContact OD2-OH 3.12Å
117V86.1Confident89.9Confident76 Ų7636.2 Ų36.246%0.46121%0.211SC..THydrogen-bonded Turntrans-58.4-11.9179.1-68.20000114.6E85 D86E85-V117 VanDerWaalsContact C-CG1 3.49Å; E85-V117 HydrophobicContact CB-CG2 4.39Å; E85-V117 WeakPolarHBondContact O-CG1 3.48Å; E85-V117 PolarHBondContact O-N 3.01Å; D86-V117 HydrophobicContact CB-CG1 3.94Å; D86-V117 VanDerWaalsContact OD2-CG1 3.28Å; D86-V117 WeakPolarHBondContact OD2-CG1 3.09Å
118F82.7Confident89.3Confident119 Ų11935.6 Ų35.652%0.52220%0.204SC..THydrogen-bonded Turntrans-103.67.9176.8-54.6-85.4000112.6D116 R120D116-F118 PolarHBondContact O-N 2.64Å; D116-F118 WeakPolarHBondContact OD1-CA 3.29Å; D116-F118 WeakPolarHBondContact OD1-CB 3.47Å; D116-F118 PolarHBondContact OD1-N 3.19Å; F118-R120 HydrophobicContact CB-CG 4.24Å
119G84.8Confident88.6Confident35 Ų3531.7 Ų31.736%0.36118%0.183SC..SBendtrans77.218.6-177.400000113.8D116D116-G119 PolarHBondContact O-N 2.99Å; D116-G119 PolarHBondContact OD1-N 3.25Å
120R85.1Confident88Confident5 Ų535.8 Ų35.82%0.01919%0.187CC..  trans-100.2127.9-174.8-58.8174.5-65.1-173.3-5.9112G8 F9 T115 D116 F118 H124 Y125G8-R120 VanDerWaalsContact O-CZ 3.31Å; G8-R120 PolarHBondContact O-NH1 2.9Å; G8-R120 PolarHBondContact O-NH2 2.97Å; F9-R120 HydrophobicContact CZ-CG 4.5Å; T115-R120 WeakPolarHBondContact CA-O 3.49Å; D116-R120 PolarHBondContact N-O 3.33Å; D116-R120 WeakPolarHBondContact OD1-CB 3.34Å; D116-R120 PolarHBondContact OD1-N 3.44Å; D116-R120 IonicContact OD1-NE 3.45Å; D116-R120 PolarHBondContact OD1-NE 3.24Å; D116-R120 IonicContact OD2-CZ 3.52Å; D116-R120 VanDerWaalsContact OD2-CZ 3.31Å; D116-R120 IonicContact OD2-NE 2.72Å; D116-R120 PolarHBondContact OD2-NE 3.25Å; D116-R120 IonicContact OD2-NH2 3.31Å; D116-R120 PolarHBondContact OD2-NH2 3.41Å; F118-R120 HydrophobicContact CB-CG 4.24Å; R120-H124 HydrophobicContact CB-CB 4Å; R120-H124 HydrophobicContact CG-CB 4.42Å; R120-Y125 HydrophobicContact CB-CE2 3.89Å; R120-Y125 PolarHBondContact NE-OH 3.27Å; R120-Y125 PolarHBondContact NH2-OH 3.43Å
121T90.7Very high87.4Confident0 Ų036.8 Ų36.80%019%0.192CC..  trans-85.4173.5171.7660000112.3T115 L123 H124 Y125 E147T115-T121 HydrophobicContact CG2-CG2 3.61Å; T121-L123 PolarHBondContact O-N 3.36Å; T121-L123 PolarHBondContact OG1-N 3.16Å; T121-H124 PolarHBondContact N-ND1 2.64Å; T121-H124 WeakPolarHBondContact O-CB 3.49Å; T121-H124 PolarHBondContact O-N 3.35Å; T121-H124 PolarHBondContact OG1-ND1 3.38Å; T121-Y125 VanDerWaalsContact O-CD2 3.3Å; T121-Y125 WeakPolarHBondContact O-CD2 3.48Å; T121-E147 HydrophobicContact CG2-CG 4.22Å
122A92.3Very high86.8Confident0 Ų037.2 Ų37.20%020%0.197CC..Hα-helixtrans-56.1-35.8173.300000112.6L90 I91 V94 H124 Y125 A126 L138L90-A122 HydrophobicContact CD2-CB 4.32Å; L90-A122 HydrophobicContact CG-CB 4.11Å; I91-A122 HydrophobicContact CG1-CB 4.37Å; V94-A122 WeakPolarHBondContact CG1-O 3.37Å; V94-A122 HydrophobicContact CG2-CB 4.19Å; A122-H124 PolarHBondContact O-N 3.08Å; A122-Y125 PolarHBondContact O-N 2.94Å; A122-A126 PolarHBondContact O-N 3.2Å; A122-L138 HydrophobicContact CB-CD1 4.08Å; A122-L138 HydrophobicContact CB-CD2 3.87Å
123L89.2Confident86.6Confident6 Ų638.8 Ų38.83%0.03121%0.208CC..Hα-helixtrans-63.9-37.8178.8-18063.7000112.7T121 Y125 A126 V127 I135 L138 L139 T143 C148T121-L123 PolarHBondContact O-N 3.36Å; T121-L123 PolarHBondContact OG1-N 3.16Å; L123-Y125 VanDerWaalsContact C-N 3.26Å; L123-Y125 PolarHBondContact O-N 3.48Å; L123-A126 PolarHBondContact O-N 3.04Å; L123-A126 VanDerWaalsContact O-N 3.16Å; L123-V127 HydrophobicContact CD1-CG2 4.21Å; L123-V127 HydrophobicContact CG-CG2 4.4Å; L123-V127 WeakPolarHBondContact O-CG2 3.35Å; L123-V127 PolarHBondContact O-N 3.48Å; L123-I135 HydrophobicContact CD1-CB 4.35Å; L123-I135 HydrophobicContact CD1-CG1 4.16Å; L123-I135 HydrophobicContact CD1-CG2 3.99Å; L123-L138 HydrophobicContact CB-CD1 4.32Å; L123-L138 HydrophobicContact CD1-CD1 4.49Å; L123-L139 HydrophobicContact CD2-CD2 4.32Å; L123-T143 HydrophobicContact CB-CG2 3.85Å; L123-T143 HydrophobicContact CD2-CG2 3.83Å; L123-T143 HydrophobicContact CG-CG2 4.45Å; L123-C148 HydrophobicContact CD2-CB 4.04Å
124H84.5Confident86.5Confident7 Ų736.5 Ų36.53%0.03220%0.196CC..Hα-helixtrans-58.2-41.5175-70.489.1000111.9F9 R120 T121 A122 Y128 E147 C148 C151F9-H124 HydrophobicContact CZ-CB 4.46Å; R120-H124 HydrophobicContact CB-CB 4Å; R120-H124 HydrophobicContact CG-CB 4.42Å; T121-H124 PolarHBondContact N-ND1 2.64Å; T121-H124 WeakPolarHBondContact O-CB 3.49Å; T121-H124 PolarHBondContact O-N 3.35Å; T121-H124 PolarHBondContact OG1-ND1 3.38Å; A122-H124 PolarHBondContact O-N 3.08Å; H124-Y128 WeakPolarHBondContact O-CB 3.42Å; H124-Y128 PolarHBondContact O-N 3.01Å; H124-E147 PolarHBondContact CE1-O 3.37Å; H124-E147 VanDerWaalsContact CE1-O 3.31Å; H124-E147 PolarHBondContact NE2-O 3.29Å; H124-C148 WeakPolarHBondContact NE2-CA 3.43Å; H124-C151 VanDerWaalsContact CD2-CB 3.4Å; H124-C151 WeakPolarHBondContact CD2-CB 3.48Å; H124-C151 WeakPolarHBondContact NE2-CB 3.39Å; H124-C151 PolarHBondContact NE2-SG 2.96Å; H124-C151 VanDerWaalsContact NE2-SG 3.4Å
125Y86.4Confident86.3Confident0 Ų035 Ų350%019%0.188CC..Hα-helixtrans-71.3-37.2176.7-71-81.2000112.3F9 R87 I91 Q95 D116 R120 T121 A122 L123 Y128 N129F9-Y125 HydrophobicContact CD1-CD1 4.23Å; F9-Y125 HydrophobicContact CD1-CE1 4.25Å; F9-Y125 HydrophobicContact CE1-CD1 4.03Å; F9-Y125 HydrophobicContact CE1-CE1 4.23Å; R87-Y125 PolarHBondContact NE-OH 2.87Å; R87-Y125 PolarHBondContact NH2-OH 3.45Å; I91-Y125 HydrophobicContact CG2-CD2 3.79Å; I91-Y125 HydrophobicContact CG2-CE2 3.48Å; I91-Y125 VanDerWaalsContact CG2-CE2 3.48Å; Q95-Y125 HydrophobicContact CB-CD1 3.86Å; Q95-Y125 HydrophobicContact CB-CE1 4.19Å; Q95-Y125 HydrophobicContact CB-CG 4.19Å; Q95-Y125 HydrophobicContact CG-CD1 3.76Å; Q95-Y125 HydrophobicContact CG-CE1 3.78Å; D116-Y125 PolarHBondContact OD2-OH 3.12Å; R120-Y125 HydrophobicContact CB-CE2 3.89Å; R120-Y125 PolarHBondContact NE-OH 3.27Å; R120-Y125 PolarHBondContact NH2-OH 3.43Å; T121-Y125 VanDerWaalsContact O-CD2 3.3Å; T121-Y125 WeakPolarHBondContact O-CD2 3.48Å; A122-Y125 PolarHBondContact O-N 2.94Å; L123-Y125 VanDerWaalsContact C-N 3.26Å; L123-Y125 PolarHBondContact O-N 3.48Å; Y125-Y128 PolarHBondContact O-N 3.29Å; Y125-N129 WeakPolarHBondContact O-CB 3.36Å; Y125-N129 VanDerWaalsContact O-CG 3.27Å; Y125-N129 PolarHBondContact O-N 3.24Å; Y125-N129 PolarHBondContact O-ND2 3.49Å
126A87.6Confident86.1Confident0 Ų038.8 Ų38.80%020%0.202CC..Hα-helixtrans-63.6-42.5175.800000111.7V94 A122 L123 N129 E130 D131 M134 I135 L138V94-A126 HydrophobicContact CG1-CB 3.81Å; A122-A126 PolarHBondContact O-N 3.2Å; L123-A126 PolarHBondContact O-N 3.04Å; L123-A126 VanDerWaalsContact O-N 3.16Å; A126-N129 CarbonylContact O-C 3.55Å; A126-N129 PolarHBondContact O-N 2.98Å; A126-E130 PolarHBondContact O-N 3.25Å; A126-E130 VanDerWaalsContact O-N 3.11Å; A126-D131 PolarHBondContact O-N 3.16Å; A126-M134 HydrophobicContact CB-CB 4.15Å; A126-M134 HydrophobicContact CB-CG 3.92Å; A126-I135 HydrophobicContact CB-CG1 3.74Å; A126-L138 HydrophobicContact CB-CD1 3.83Å
127V83.8Confident86.2Confident25 Ų2541.4 Ų41.415%0.15221%0.213CC..Hα-helixtrans-65.2-47.1175.4174.20000111.3L123 N129 E130 I135 L152L123-V127 HydrophobicContact CD1-CG2 4.21Å; L123-V127 HydrophobicContact CG-CG2 4.4Å; L123-V127 WeakPolarHBondContact O-CG2 3.35Å; L123-V127 PolarHBondContact O-N 3.48Å; V127-N129 PolarHBondContact O-N 2.74Å; V127-E130 PolarHBondContact O-N 3.12Å; V127-I135 HydrophobicContact CG2-CD1 3.91Å; V127-I135 HydrophobicContact CG2-CG1 4.14Å; V127-L152 HydrophobicContact CG1-CD2 4.05Å
128Y82.4Confident86.4Confident112 Ų11237.8 Ų37.844%0.43919%0.191SC..Hα-helixtrans-59.8-32.8174.8179.4-97000112.5F9 F11 H124 Y125 E130F9-Y128 HydrophobicContact CB-CD2 4.22Å; F9-Y128 HydrophobicContact CB-CE1 4.13Å; F9-Y128 HydrophobicContact CB-CE2 3.81Å; F9-Y128 AromaticContact CD1-CD1 3.6Å; F9-Y128 HydrophobicContact CD1-CD1 3.6Å; F9-Y128 AromaticContact CD1-CD2 3.61Å; F9-Y128 HydrophobicContact CD1-CD2 3.61Å; F9-Y128 HydrophobicContact CD1-CE1 4.04Å; F9-Y128 HydrophobicContact CD1-CE2 4.07Å; F9-Y128 AromaticContact CD1-CG 3.36Å; F9-Y128 HydrophobicContact CD1-CG 3.36Å; F9-Y128 HydrophobicContact CD2-CD2 4.44Å; F9-Y128 VanDerWaalsContact CE1-CB 3.5Å; F9-Y128 HydrophobicContact CE1-CD1 4.19Å; F9-Y128 HydrophobicContact CE1-CD2 4.01Å; F9-Y128 AromaticContact CE1-CG 3.63Å; F9-Y128 HydrophobicContact CE1-CG 3.63Å; F9-Y128 HydrophobicContact CG-CD1 4.38Å; F9-Y128 AromaticContact CG-CD2 3.85Å; F9-Y128 HydrophobicContact CG-CD2 3.85Å; F9-Y128 HydrophobicContact CG-CE1 4.45Å; F9-Y128 AromaticContact CG-CE2 3.95Å; F9-Y128 HydrophobicContact CG-CE2 3.95Å; F9-Y128 HydrophobicContact CG-CG 4.08Å; F11-Y128 HydrophobicContact CE2-CD1 4.37Å; F11-Y128 AromaticContact CE2-CE1 3.59Å; F11-Y128 HydrophobicContact CE2-CE1 3.59Å; F11-Y128 HydrophobicContact CZ-CD1 4.04Å; F11-Y128 AromaticContact CZ-CE1 3.7Å; F11-Y128 HydrophobicContact CZ-CE1 3.7Å; H124-Y128 WeakPolarHBondContact O-CB 3.42Å; H124-Y128 PolarHBondContact O-N 3.01Å; Y125-Y128 PolarHBondContact O-N 3.29Å; Y128-E130 VanDerWaalsContact C-N 3.28Å
129N81.5Confident86.6Confident4 Ų434.3 Ų34.32%0.02118%0.178CC..THydrogen-bonded Turntrans-79.8-7.5176.5-80.2-23.8000113.9V94 Q95 R97 Y125 A126 V127 D131V94-N129 PolarHBondContact O-ND2 3.33Å; Q95-N129 PolarHBondContact O-ND2 3.42Å; R97-N129 HydrophobicContact CG-CB 4.5Å; R97-N129 VanDerWaalsContact CZ-CB 3.49Å; R97-N129 PolarHBondContact NE-OD1 3.4Å; R97-N129 PolarHBondContact NH1-O 3.41Å; R97-N129 PolarHBondContact NH2-O 3.34Å; R97-N129 PolarHBondContact NH2-OD1 2.82Å; Y125-N129 WeakPolarHBondContact O-CB 3.36Å; Y125-N129 VanDerWaalsContact O-CG 3.27Å; Y125-N129 PolarHBondContact O-N 3.24Å; Y125-N129 PolarHBondContact O-ND2 3.49Å; A126-N129 CarbonylContact O-C 3.55Å; A126-N129 PolarHBondContact O-N 2.98Å; V127-N129 PolarHBondContact O-N 2.74Å; N129-D131 HydrophobicContact CB-CB 4.28Å; N129-D131 PolarHBondContact O-N 3.02Å
130E83.7Confident86.7Confident142 Ų14237 Ų3766%0.66419%0.191SC*.THydrogen-bonded Turntrans55.431.3-172-57.4177-151.200112.6A126 V127 Y128 T132 L161A126-E130 PolarHBondContact O-N 3.25Å; A126-E130 VanDerWaalsContact O-N 3.11Å; V127-E130 PolarHBondContact O-N 3.12Å; Y128-E130 VanDerWaalsContact C-N 3.28Å; E130-T132 PolarHBondContact O-N 2.86Å; E130-L161 HydrophobicContact CG-CD2 4.22Å
131D83.1Confident86.8Confident27 Ų2740.7 Ų40.714%0.14421%0.209CC..  trans-91.487.1-177.3-172.5-18000110.5A126 N129 S133 M134 I135A126-D131 PolarHBondContact O-N 3.16Å; N129-D131 HydrophobicContact CB-CB 4.28Å; N129-D131 PolarHBondContact O-N 3.02Å; D131-S133 VanDerWaalsContact C-N 3.31Å; D131-S133 PolarHBondContact O-N 3.45Å; D131-S133 PolarHBondContact OD1-N 3.28Å; D131-M134 HydrophobicContact CB-CB 4Å; D131-M134 PolarHBondContact O-N 3.09Å; D131-M134 WeakPolarHBondContact OD1-CB 3.36Å; D131-M134 PolarHBondContact OD1-N 2.77Å; D131-M134 WeakPolarHBondContact OD2-CB 3.29Å; D131-I135 VanDerWaalsContact O-CG1 3.24Å; D131-I135 WeakPolarHBondContact O-CG1 3.43Å; D131-I135 PolarHBondContact O-N 3.18Å
132T83.6Confident86.2Confident71 Ų7143.3 Ų43.344%0.43624%0.235SC..Hα-helixtrans-60.9-37.8-177.954.30000112.8E130 M134 I135 E136 V163E130-T132 PolarHBondContact O-N 2.86Å; T132-M134 PolarHBondContact O-N 3.42Å; T132-I135 PolarHBondContact O-N 3.46Å; T132-E136 WeakPolarHBondContact O-CG 3.36Å; T132-E136 PolarHBondContact O-N 3.09Å; T132-V163 HydrophobicContact CG2-CG1 4.23Å; T132-V163 HydrophobicContact CG2-CG2 4.47Å
133S88.9Confident85.5Confident40 Ų4043.8 Ų43.828%0.2824%0.239SC..Hα-helixtrans-60.5-47.1176.5179.30000110.8E99 D131 E136 K137E99-S133 PolarHBondContact OE1-OG 2.89Å; D131-S133 VanDerWaalsContact C-N 3.31Å; D131-S133 PolarHBondContact O-N 3.45Å; D131-S133 PolarHBondContact OD1-N 3.28Å; S133-E136 PolarHBondContact O-N 3.38Å; S133-K137 VanDerWaalsContact O-CG 3.31Å; S133-K137 WeakPolarHBondContact O-CG 3.47Å; S133-K137 PolarHBondContact O-N 3.33Å
134M90.4Very high84.6Confident1 Ų147.2 Ų47.21%0.00526%0.257CS..Hα-helixtrans-67.6-37.6178.1-171.752.756.400112.5V94 E99 A102 A126 D131 T132 K137 L138V94-M134 HydrophobicContact CB-CG 4.49Å; V94-M134 HydrophobicContact CG1-CG 3.9Å; V94-M134 HydrophobicContact CG2-CG 3.86Å; V94-M134 HydrophobicContact CG2-SD 3.79Å; E99-M134 HydrophobicContact CB-CE 4.02Å; E99-M134 HydrophobicContact CG-CE 3.72Å; A102-M134 HydrophobicContact CB-CE 3.51Å; A102-M134 HydrophobicContact CB-SD 3.88Å; A126-M134 HydrophobicContact CB-CB 4.15Å; A126-M134 HydrophobicContact CB-CG 3.92Å; D131-M134 HydrophobicContact CB-CB 4Å; D131-M134 PolarHBondContact O-N 3.09Å; D131-M134 WeakPolarHBondContact OD1-CB 3.36Å; D131-M134 PolarHBondContact OD1-N 2.77Å; D131-M134 WeakPolarHBondContact OD2-CB 3.29Å; T132-M134 PolarHBondContact O-N 3.42Å; M134-K137 PolarHBondContact O-N 3.43Å; M134-L138 HydrophobicContact CG-CD1 3.89Å; M134-L138 HydrophobicContact CG-CG 4.3Å; M134-L138 WeakPolarHBondContact O-CB 3.24Å; M134-L138 VanDerWaalsContact O-CG 3.26Å; M134-L138 WeakPolarHBondContact O-CG 3.34Å; M134-L138 PolarHBondContact O-N 3.04Å; M134-L138 HydrophobicContact SD-CD1 4.3Å; M134-L138 HydrophobicContact SD-CG 4.12Å
135I87.3Confident83.6Confident9 Ų949.6 Ų49.65%0.04627%0.269CS..Hα-helixtrans-58.3-51.8174.7-69.1163.5000110L123 A126 V127 D131 T132 K137 L138 L139 I167L123-I135 HydrophobicContact CD1-CB 4.35Å; L123-I135 HydrophobicContact CD1-CG1 4.16Å; L123-I135 HydrophobicContact CD1-CG2 3.99Å; A126-I135 HydrophobicContact CB-CG1 3.74Å; V127-I135 HydrophobicContact CG2-CD1 3.91Å; V127-I135 HydrophobicContact CG2-CG1 4.14Å; D131-I135 VanDerWaalsContact O-CG1 3.24Å; D131-I135 WeakPolarHBondContact O-CG1 3.43Å; D131-I135 PolarHBondContact O-N 3.18Å; T132-I135 PolarHBondContact O-N 3.46Å; I135-K137 VanDerWaalsContact C-N 3.32Å; I135-K137 PolarHBondContact O-N 3.14Å; I135-L138 PolarHBondContact O-N 3.38Å; I135-L139 HydrophobicContact CG2-CD1 3.88Å; I135-L139 HydrophobicContact CG2-CG 4.41Å; I135-L139 VanDerWaalsContact O-CG 3.28Å; I135-L139 WeakPolarHBondContact O-CG 3.36Å; I135-L139 PolarHBondContact O-N 2.9Å; I135-I167 HydrophobicContact CG2-CD1 3.74Å
136E86.6Confident82.2Confident131 Ų13156 Ų5661%0.61230%0.299SS*.Hα-helixtrans-58.5-43.3179-72.7174.8-172.400111.9T132 S133 L139 S140T132-E136 WeakPolarHBondContact O-CG 3.36Å; T132-E136 PolarHBondContact O-N 3.09Å; S133-E136 PolarHBondContact O-N 3.38Å; E136-L139 PolarHBondContact O-N 2.98Å; E136-S140 PolarHBondContact O-N 3.2Å
137K90.4Very high80.7Confident59 Ų5959.4 Ų59.426%0.25732%0.315SS..Hα-helixtrans-63.7-40.9176.3-72.8173.2-179.9-178.60113E99 T103 L106 S133 M134 I135 S140 H141E99-K137 IonicContact OE1-NZ 3.39Å; E99-K137 PolarHBondContact OE1-NZ 3.46Å; T103-K137 PolarHBondContact OG1-NZ 3.33Å; T103-K137 VanDerWaalsContact OG1-NZ 3.11Å; L106-K137 HydrophobicContact CD1-CB 4.31Å; S133-K137 VanDerWaalsContact O-CG 3.31Å; S133-K137 WeakPolarHBondContact O-CG 3.47Å; S133-K137 PolarHBondContact O-N 3.33Å; M134-K137 PolarHBondContact O-N 3.43Å; I135-K137 VanDerWaalsContact C-N 3.32Å; I135-K137 PolarHBondContact O-N 3.14Å; K137-S140 PolarHBondContact O-OG 3.02Å; K137-H141 PolarHBondContact O-CD2 3.34Å; K137-H141 VanDerWaalsContact O-CD2 3.24Å; K137-H141 PolarHBondContact O-N 3.35Å
138L89.4Confident79.2Confident0 Ų058.6 Ų58.60%031%0.311CS..Hα-helixtrans-67.1-40.8178.1-74167.6000110.9L90 V94 L106 P112 A122 L123 A126 M134 I135 H141 T143L90-L138 HydrophobicContact CD2-CD2 4.36Å; V94-L138 HydrophobicContact CG2-CD1 4.48Å; L106-L138 HydrophobicContact CD1-CD2 3.99Å; L106-L138 HydrophobicContact CD1-CG 4.49Å; L106-L138 HydrophobicContact CD2-CD2 4.01Å; P112-L138 HydrophobicContact CB-CD2 3.85Å; A122-L138 HydrophobicContact CB-CD1 4.08Å; A122-L138 HydrophobicContact CB-CD2 3.87Å; L123-L138 HydrophobicContact CB-CD1 4.32Å; L123-L138 HydrophobicContact CD1-CD1 4.49Å; A126-L138 HydrophobicContact CB-CD1 3.83Å; M134-L138 HydrophobicContact CG-CD1 3.89Å; M134-L138 HydrophobicContact CG-CG 4.3Å; M134-L138 WeakPolarHBondContact O-CB 3.24Å; M134-L138 VanDerWaalsContact O-CG 3.26Å; M134-L138 WeakPolarHBondContact O-CG 3.34Å; M134-L138 PolarHBondContact O-N 3.04Å; M134-L138 HydrophobicContact SD-CD1 4.3Å; M134-L138 HydrophobicContact SD-CG 4.12Å; I135-L138 PolarHBondContact O-N 3.38Å; L138-H141 PolarHBondContact O-N 3.34Å; L138-T143 WeakPolarHBondContact O-CB 3.45Å; L138-T143 PolarHBondContact O-N 2.84Å; L138-T143 PolarHBondContact O-OG1 2.78Å
139L86.2Confident77.7Confident47 Ų4755.6 Ų55.625%0.24631%0.306CS..Hα-helixtrans-64-40.7177.5-67.3173.9000112.1L123 I135 E136 H141 G142 I145 I167L123-L139 HydrophobicContact CD2-CD2 4.32Å; I135-L139 HydrophobicContact CG2-CD1 3.88Å; I135-L139 HydrophobicContact CG2-CG 4.41Å; I135-L139 VanDerWaalsContact O-CG 3.28Å; I135-L139 WeakPolarHBondContact O-CG 3.36Å; I135-L139 PolarHBondContact O-N 2.9Å; E136-L139 PolarHBondContact O-N 2.98Å; L139-H141 PolarHBondContact O-N 3.06Å; L139-G142 PolarHBondContact O-N 3.17Å; L139-I145 HydrophobicContact CD2-CD1 3.91Å; L139-I145 HydrophobicContact CD2-CG1 3.6Å; L139-I167 HydrophobicContact CD1-CG2 3.63Å
140S87.8Confident76.1Confident91 Ų9162.9 Ų62.964%0.63634%0.337SS*.Hα-helixtrans-67.2-20.3177.770.60000113.8E136 K137E136-S140 PolarHBondContact O-N 3.2Å; K137-S140 PolarHBondContact O-OG 3.02Å
141H87.9Confident74.3Confident83 Ų8358.4 Ų58.438%0.38432%0.321SS..THydrogen-bonded Turntrans-98.821.1178.2-79.7-89.2000113.9L106 K137 L138 L139L106-H141 HydrophobicContact CD2-CB 3.97Å; L106-H141 PolarHBondContact O-CE1 3.08Å; L106-H141 PolarHBondContact O-ND1 2.87Å; K137-H141 PolarHBondContact O-CD2 3.34Å; K137-H141 VanDerWaalsContact O-CD2 3.24Å; K137-H141 PolarHBondContact O-N 3.35Å; L138-H141 PolarHBondContact O-N 3.34Å; L139-H141 PolarHBondContact O-N 3.06Å
142G78.5Confident72.5Confident54 Ų5459.5 Ų59.556%0.55733%0.327SS*.THydrogen-bonded Turntrans81.731.9169.500000114.6N113 L139N113-G142 PolarHBondContact ND2-O 2.66Å; N113-G142 VanDerWaalsContact ND2-O 3.12Å; L139-G142 PolarHBondContact O-N 3.17Å
143T77.1Confident70.6Confident11 Ų1162.7 Ų62.77%0.06734%0.341CS..  trans-71.1132.5172.8-54.60000111.2P112 N113 L123 L138 I145P112-T143 VanDerWaalsContact CB-OG1 3.28Å; P112-T143 WeakPolarHBondContact CB-OG1 3.46Å; P112-T143 WeakPolarHBondContact CG-OG1 3.41Å; N113-T143 WeakPolarHBondContact OD1-CA 3Å; L123-T143 HydrophobicContact CB-CG2 3.85Å; L123-T143 HydrophobicContact CD2-CG2 3.83Å; L123-T143 HydrophobicContact CG-CG2 4.45Å; L138-T143 WeakPolarHBondContact O-CB 3.45Å; L138-T143 PolarHBondContact O-N 2.84Å; L138-T143 PolarHBondContact O-OG1 2.78Å; T143-I145 PolarHBondContact O-N 3.48Å
144N70.2Confident68.4Low77 Ų7772 Ų7241%0.41237%0.37SS..  trans-74.7115.1175.1-170.62.5000110.9N113 E146N113-N144 PolarHBondContact OD1-N 2.7Å; N144-E146 VanDerWaalsContact C-N 3.31Å; N144-E146 PolarHBondContact O-N 3.01Å; N144-E146 PolarHBondContact OD1-N 2.97Å
145I63.6Low66Low57 Ų5776.4 Ų76.429%0.29239%0.393SS..THydrogen-bonded Turntrans-70.9-29.9-177.7-56.9171.6000111.1L139 T143 E147 C148 L168 I171L139-I145 HydrophobicContact CD2-CD1 3.91Å; L139-I145 HydrophobicContact CD2-CG1 3.6Å; T143-I145 PolarHBondContact O-N 3.48Å; I145-E147 PolarHBondContact O-N 3.12Å; I145-C148 VanDerWaalsContact O-CB 3.25Å; I145-C148 WeakPolarHBondContact O-CB 3.1Å; I145-C148 PolarHBondContact O-N 3.05Å; I145-L168 HydrophobicContact CG2-CD2 4.2Å; I145-I171 HydrophobicContact CD1-CD1 4.15Å
146E57.3Low63.8Low134 Ų13483.9 Ų83.963%0.62643%0.433SS*.Hα-helixtrans-66.9-23.9-176.6-66-61.7158.100113.3N144 C148 S149N144-E146 VanDerWaalsContact C-N 3.31Å; N144-E146 PolarHBondContact O-N 3.01Å; N144-E146 PolarHBondContact OD1-N 2.97Å; E146-C148 VanDerWaalsContact C-N 3.3Å; E146-S149 PolarHBondContact O-OG 3.41Å
147E55.3Low61.8Low72 Ų7283.1 Ų83.134%0.33643%0.43SS..Hα-helixtrans-72.1-29.6176-146.5110.9-146.400111.2T121 H124 I145T121-E147 HydrophobicContact CG2-CG 4.22Å; H124-E147 PolarHBondContact CE1-O 3.37Å; H124-E147 VanDerWaalsContact CE1-O 3.31Å; H124-E147 PolarHBondContact NE2-O 3.29Å; I145-E147 PolarHBondContact O-N 3.12Å
148C53.1Low59.6Low9 Ų983.7 Ų83.76%0.06144%0.435CS..Hα-helixtrans-71-31.4-178.9-162.60000113L123 H124 I145 E146 K150 C151 L152L123-C148 HydrophobicContact CD2-CB 4.04Å; H124-C148 WeakPolarHBondContact NE2-CA 3.43Å; I145-C148 VanDerWaalsContact O-CB 3.25Å; I145-C148 WeakPolarHBondContact O-CB 3.1Å; I145-C148 PolarHBondContact O-N 3.05Å; E146-C148 VanDerWaalsContact C-N 3.3Å; C148-K150 VanDerWaalsContact C-N 3.31Å; C148-K150 PolarHBondContact O-N 3.23Å; C148-C151 PolarHBondContact O-N 3.39Å; C148-L152 WeakPolarHBondContact O-CG 3.44Å; C148-L152 PolarHBondContact O-N 3.24Å
149S49.1Very low57.5Low48 Ų4895.6 Ų95.634%0.33648%0.48SS..Hα-helixtrans-65.1-31.5-174.666.60000112.9E146 L153E146-S149 PolarHBondContact O-OG 3.41Å; S149-L153 WeakPolarHBondContact O-CD1 3.38Å; S149-L153 VanDerWaalsContact O-CG 3.29Å; S149-L153 WeakPolarHBondContact O-CG 3.38Å; S149-L153 PolarHBondContact O-N 3.44Å
150K49.2Very low55.4Low157 Ų157103.7 Ų103.768%0.68351%0.507SS*.Hα-helixtrans-68.8-35.7-178.5-69178.6-175.1167.50113.8C148C148-K150 VanDerWaalsContact C-N 3.31Å; C148-K150 PolarHBondContact O-N 3.23Å
151C46.4Very low53.3Low49 Ų49101.2 Ų101.233%0.33149%0.487SS..Hα-helixtrans-82.5-30.5179.8-71.70000112.9H124 C148 L153H124-C151 VanDerWaalsContact CD2-CB 3.4Å; H124-C151 WeakPolarHBondContact CD2-CB 3.48Å; H124-C151 WeakPolarHBondContact NE2-CB 3.39Å; H124-C151 PolarHBondContact NE2-SG 2.96Å; H124-C151 VanDerWaalsContact NE2-SG 3.4Å; C148-C151 PolarHBondContact O-N 3.39Å; C151-L153 VanDerWaalsContact C-N 3.35Å
152L45.2Very low51.2Low49 Ų49105.3 Ų105.326%0.25751%0.506SS..Hα-helixtrans-72.6-24.4180-70.3170000113.5V127 C148 R154 L158V127-L152 HydrophobicContact CG1-CD2 4.05Å; C148-L152 WeakPolarHBondContact O-CG 3.44Å; C148-L152 PolarHBondContact O-N 3.24Å; L152-R154 VanDerWaalsContact C-N 3.3Å; L152-R154 PolarHBondContact O-N 3Å; L152-L158 HydrophobicContact CB-CD1 4.29Å; L152-L158 HydrophobicContact CB-CD2 4.45Å
153L43.6Very low49.7Very low139 Ų139105.3 Ų105.373%0.72850%0.495SS*.THydrogen-bonded Turntrans-75.4-12.5179.7-71.4168.4000114.4S149 C151S149-L153 WeakPolarHBondContact O-CD1 3.38Å; S149-L153 VanDerWaalsContact O-CG 3.29Å; S149-L153 WeakPolarHBondContact O-CG 3.38Å; S149-L153 PolarHBondContact O-N 3.44Å; C151-L153 VanDerWaalsContact C-N 3.35Å
154R41.7Very low48.3Very low236 Ų236106.4 Ų106.489%0.89150%0.502SS*.THydrogen-bonded Turntrans-90.5-18.8-179.5-106.7-177.9-179.1174.91.6114.6L152L152-R154 VanDerWaalsContact C-N 3.3Å; L152-R154 PolarHBondContact O-N 3Å
155N40.4Very low47.1Very low92 Ų92106.7 Ų106.749%0.49251%0.507SS..SBendtrans-115.8124.7179-85.3-31.8000109E157N155-E157 HydrophobicContact CB-CG 4.09Å; N155-E157 PolarHBondContact O-N 2.84Å
156N42Very low46.2Very low166 Ų166111.1 Ų111.189%0.88852%0.523SS*.G310 helixtrans-59.418176.3-82.3-42.7000114.9L158N156-L158 VanDerWaalsContact C-N 3.32Å; N156-L158 PolarHBondContact O-N 3.41Å
157E43.4Very low45.8Very low116 Ų116107.1 Ų107.154%0.54251%0.506SS..G310 helixtrans-76.5-13.5-177.3-67.1-62.8152.600113.4N155 R159 R160N155-E157 HydrophobicContact CB-CG 4.09Å; N155-E157 PolarHBondContact O-N 2.84Å; E157-R159 PolarHBondContact O-N 3.12Å; E157-R159 VanDerWaalsContact O-N 3.12Å; E157-R160 PolarHBondContact O-N 3.29Å; E157-R160 VanDerWaalsContact O-N 3.1Å
158L44.3Very low45.2Very low71 Ų71109 Ų10937%0.37252%0.518SS..G310 helixtrans-65.2-13.5178.3-76.2167.8000114.3L152 N156 R160 T164L152-L158 HydrophobicContact CB-CD1 4.29Å; L152-L158 HydrophobicContact CB-CD2 4.45Å; N156-L158 VanDerWaalsContact C-N 3.32Å; N156-L158 PolarHBondContact O-N 3.41Å; L158-R160 VanDerWaalsContact C-N 3.34Å; L158-T164 HydrophobicContact CD2-CG2 3.98Å
159R45.1Very low44.6Very low249 Ų249116.7 Ų116.794%0.9455%0.55SS**G310 helixtrans-79.2-13.2173.3-78.5-171.9178.9-161.10.2114E157E157-R159 PolarHBondContact O-N 3.12Å; E157-R159 VanDerWaalsContact O-N 3.12Å
160R41.8Very low44.1Very low217 Ų217121.9 Ų121.982%0.81957%0.57SS**THydrogen-bonded Turntrans-103.1-16.8-177.1-96.5-177168.1176.5-3.8115.3E157 L158E157-R160 PolarHBondContact O-N 3.29Å; E157-R160 VanDerWaalsContact O-N 3.1Å; L158-R160 VanDerWaalsContact C-N 3.34Å
161L45.3Very low43.6Very low40 Ų40123.3 Ų123.321%0.20958%0.582CS.*  trans-105.398.4-173.4-63.7170.1000111.3E130 V163 T164E130-L161 HydrophobicContact CG-CD2 4.22Å; L161-V163 PolarHBondContact O-N 3.28Å; L161-T164 PolarHBondContact O-OG1 3.11Å
162Q42.8Very low43.4Very low168 Ų168127 Ų12779%0.78560%0.595SS**THydrogen-bonded Turntrans-61.2-4.2169-69.9176.5-28.600113.8T165Q162-T165 PolarHBondContact O-OG1 3.43Å; Q162-T165 VanDerWaalsContact O-OG1 3.14Å
163V47.1Very low43.4Very low55 Ų55131.1 Ų131.133%0.33361%0.613SS.*THydrogen-bonded Turntrans-78.5-35.4-175.2-177.60000112T132 L161 T165 K166 I167T132-V163 HydrophobicContact CG2-CG1 4.23Å; T132-V163 HydrophobicContact CG2-CG2 4.47Å; L161-V163 PolarHBondContact O-N 3.28Å; V163-T165 PolarHBondContact O-N 3.03Å; V163-K166 PolarHBondContact O-N 2.87Å; V163-I167 HydrophobicContact CG1-CD1 3.75Å; V163-I167 WeakPolarHBondContact O-CG1 3.12Å; V163-I167 PolarHBondContact O-N 3.38Å
164T46.7Very low43.3Very low33 Ų33130.7 Ų130.720%0.20261%0.606CS.*Hα-helixtrans-70.2-33.9-179.253.40000112.5L158 L161 K166 L168L158-T164 HydrophobicContact CD2-CG2 3.98Å; L161-T164 PolarHBondContact O-OG1 3.11Å; T164-K166 PolarHBondContact O-N 3.48Å; T164-L168 WeakPolarHBondContact O-CB 3.28Å; T164-L168 PolarHBondContact O-N 2.91Å
165T45.1Very low43.4Very low84 Ų84124.5 Ų124.552%0.51559%0.59SS.*Hα-helixtrans-75.3-17.3178.644.30000114.6Q162 V163 F169Q162-T165 PolarHBondContact O-OG1 3.43Å; Q162-T165 VanDerWaalsContact O-OG1 3.14Å; V163-T165 PolarHBondContact O-N 3.03Å; T165-F169 WeakPolarHBondContact O-CD2 3.39Å
166K45.7Very low43.6Very low149 Ų149126.5 Ų126.565%0.64860%0.596SS**Hα-helixtrans-87.7-41.9171.7-93-177.2173.5-179.60111.8V163 T164 L168 F169 Q170V163-K166 PolarHBondContact O-N 2.87Å; T164-K166 PolarHBondContact O-N 3.48Å; K166-L168 PolarHBondContact O-N 3.39Å; K166-F169 PolarHBondContact O-N 3.09Å; K166-Q170 PolarHBondContact O-OE1 2.74Å
167I48Very low43.7Very low50 Ų50123.9 Ų123.926%0.25658%0.576SS.*Hα-helixtrans-70.7-32.9-175.6-63.5175.8000112I135 L139 V163I135-I167 HydrophobicContact CG2-CD1 3.74Å; L139-I167 HydrophobicContact CD1-CG2 3.63Å; V163-I167 HydrophobicContact CG1-CD1 3.75Å; V163-I167 WeakPolarHBondContact O-CG1 3.12Å; V163-I167 PolarHBondContact O-N 3.38Å
168L43.3Very low43.8Very low112 Ų112124.4 Ų124.459%0.58658%0.579SS**THydrogen-bonded Turntrans-80.2-15177.3-73.6168.1000114.9I145 T164 K166I145-L168 HydrophobicContact CG2-CD2 4.2Å; T164-L168 WeakPolarHBondContact O-CB 3.28Å; T164-L168 PolarHBondContact O-N 2.91Å; K166-L168 PolarHBondContact O-N 3.39Å
169F41.4Very low43.7Very low170 Ų170128.5 Ų128.575%0.74660%0.595SS**THydrogen-bonded Turntrans-108.88.3-175.7-81.1-84.8000113.9T165 K166T165-F169 WeakPolarHBondContact O-CD2 3.39Å; K166-F169 PolarHBondContact O-N 3.09Å
170Q37.6Very low43.6Very low158 Ų158118.5 Ų118.574%0.73857%0.566SS**  trans-116.116.1180-117.6137.1-14.400114K166K166-Q170 PolarHBondContact O-OE1 2.74Å
171I38.6Very low43.8Very low186 Ų186109.5 Ų109.595%0.95454%0.543SS*.  trans-125.80167.6-45.3176.2000106.8I145I145-I171 HydrophobicContact CD1-CD1 4.15Å

Retrieved 171 of 171 residues in 252.3 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).